Add batch 27
Browse files- 6qsz/6qsz_af2_apo_protein.pdb +953 -0
- 6qsz/6qsz_af2_holo_ligand.sdf +147 -0
- 6qsz/6qsz_af2_holo_protein.pdb +0 -0
- 6qtm/6qtm_af2_apo_protein.pdb +961 -0
- 6qtm/6qtm_af2_holo_ligand.sdf +156 -0
- 6qtm/6qtm_af2_holo_protein.pdb +0 -0
- 6qto/6qto_af2_apo_protein.pdb +0 -0
- 6qto/6qto_af2_holo_ligand.sdf +161 -0
- 6qto/6qto_af2_holo_protein.pdb +0 -0
- 6qtq/6qtq_af2_apo_protein.pdb +0 -0
- 6qtq/6qtq_af2_holo_ligand.sdf +108 -0
- 6qtq/6qtq_af2_holo_protein.pdb +0 -0
- 6qtr/6qtr_af2_apo_protein.pdb +0 -0
- 6qtr/6qtr_af2_holo_ligand.sdf +197 -0
- 6qtr/6qtr_af2_holo_protein.pdb +0 -0
- 6qts/6qts_af2_apo_protein.pdb +0 -0
- 6qts/6qts_af2_holo_ligand.sdf +124 -0
- 6qts/6qts_af2_holo_protein.pdb +0 -0
- 6qtw/6qtw_af2_apo_protein.pdb +0 -0
- 6qtw/6qtw_af2_holo_ligand.sdf +117 -0
- 6qtw/6qtw_af2_holo_protein.pdb +0 -0
- 6qtx/6qtx_af2_apo_protein.pdb +0 -0
- 6qtx/6qtx_af2_holo_ligand.sdf +125 -0
- 6qtx/6qtx_af2_holo_protein.pdb +0 -0
- 6quv/6quv_af2_apo_protein.pdb +1312 -0
- 6quv/6quv_af2_holo_ligand.sdf +63 -0
- 6quv/6quv_af2_holo_protein.pdb +0 -0
- 6quw/6quw_af2_apo_protein.pdb +1312 -0
- 6quw/6quw_af2_holo_ligand.sdf +41 -0
- 6quw/6quw_af2_holo_protein.pdb +0 -0
- 6qw8/6qw8_af2_apo_protein.pdb +0 -0
- 6qw8/6qw8_af2_holo_ligand.sdf +54 -0
- 6qw8/6qw8_af2_holo_protein.pdb +0 -0
6qsz/6qsz_af2_apo_protein.pdb
ADDED
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@@ -0,0 +1,953 @@
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|
|
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|
|
|
|
|
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|
|
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|
|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
|
|
| 1 |
+
ATOM 1 N SER A 970 -8.160 20.835 9.910 1.00 71.51 N
|
| 2 |
+
ATOM 2 CA SER A 970 -7.184 21.497 10.771 1.00 71.51 C
|
| 3 |
+
ATOM 3 C SER A 970 -6.765 20.548 11.898 1.00 71.51 C
|
| 4 |
+
ATOM 4 CB SER A 970 -7.736 22.823 11.310 1.00 71.51 C
|
| 5 |
+
ATOM 5 O SER A 970 -7.599 19.811 12.427 1.00 71.51 O
|
| 6 |
+
ATOM 6 OG SER A 970 -8.861 22.628 12.154 1.00 71.51 O
|
| 7 |
+
ATOM 7 N LYS A 971 -5.493 20.583 12.329 1.00 76.71 N
|
| 8 |
+
ATOM 8 CA LYS A 971 -5.036 19.736 13.452 1.00 76.71 C
|
| 9 |
+
ATOM 9 C LYS A 971 -5.891 19.945 14.719 1.00 76.71 C
|
| 10 |
+
ATOM 10 CB LYS A 971 -3.525 19.918 13.729 1.00 76.71 C
|
| 11 |
+
ATOM 11 O LYS A 971 -6.008 19.037 15.532 1.00 76.71 O
|
| 12 |
+
ATOM 12 CG LYS A 971 -2.628 19.379 12.591 1.00 76.71 C
|
| 13 |
+
ATOM 13 CD LYS A 971 -1.141 19.251 12.993 1.00 76.71 C
|
| 14 |
+
ATOM 14 CE LYS A 971 -0.327 18.607 11.850 1.00 76.71 C
|
| 15 |
+
ATOM 15 NZ LYS A 971 1.043 18.178 12.259 1.00 76.71 N
|
| 16 |
+
ATOM 16 N SER A 972 -6.537 21.106 14.859 1.00 77.28 N
|
| 17 |
+
ATOM 17 CA SER A 972 -7.587 21.402 15.845 1.00 77.28 C
|
| 18 |
+
ATOM 18 C SER A 972 -8.888 20.611 15.653 1.00 77.28 C
|
| 19 |
+
ATOM 19 CB SER A 972 -7.895 22.909 15.843 1.00 77.28 C
|
| 20 |
+
ATOM 20 O SER A 972 -9.390 20.070 16.631 1.00 77.28 O
|
| 21 |
+
ATOM 21 OG SER A 972 -7.660 23.502 14.572 1.00 77.28 O
|
| 22 |
+
ATOM 22 N SER A 973 -9.417 20.504 14.430 1.00 79.54 N
|
| 23 |
+
ATOM 23 CA SER A 973 -10.634 19.732 14.122 1.00 79.54 C
|
| 24 |
+
ATOM 24 C SER A 973 -10.424 18.236 14.377 1.00 79.54 C
|
| 25 |
+
ATOM 25 CB SER A 973 -11.051 20.009 12.672 1.00 79.54 C
|
| 26 |
+
ATOM 26 O SER A 973 -11.194 17.635 15.122 1.00 79.54 O
|
| 27 |
+
ATOM 27 OG SER A 973 -12.065 19.144 12.220 1.00 79.54 O
|
| 28 |
+
ATOM 28 N TRP A 974 -9.311 17.672 13.894 1.00 87.52 N
|
| 29 |
+
ATOM 29 CA TRP A 974 -8.917 16.288 14.190 1.00 87.52 C
|
| 30 |
+
ATOM 30 C TRP A 974 -8.778 16.044 15.706 1.00 87.52 C
|
| 31 |
+
ATOM 31 CB TRP A 974 -7.615 15.990 13.433 1.00 87.52 C
|
| 32 |
+
ATOM 32 O TRP A 974 -9.327 15.081 16.237 1.00 87.52 O
|
| 33 |
+
ATOM 33 CG TRP A 974 -7.018 14.633 13.651 1.00 87.52 C
|
| 34 |
+
ATOM 34 CD1 TRP A 974 -7.290 13.526 12.924 1.00 87.52 C
|
| 35 |
+
ATOM 35 CD2 TRP A 974 -6.055 14.212 14.666 1.00 87.52 C
|
| 36 |
+
ATOM 36 CE2 TRP A 974 -5.798 12.818 14.505 1.00 87.52 C
|
| 37 |
+
ATOM 37 CE3 TRP A 974 -5.383 14.870 15.717 1.00 87.52 C
|
| 38 |
+
ATOM 38 NE1 TRP A 974 -6.543 12.463 13.399 1.00 87.52 N
|
| 39 |
+
ATOM 39 CH2 TRP A 974 -4.331 12.786 16.432 1.00 87.52 C
|
| 40 |
+
ATOM 40 CZ2 TRP A 974 -4.952 12.106 15.369 1.00 87.52 C
|
| 41 |
+
ATOM 41 CZ3 TRP A 974 -4.536 14.168 16.598 1.00 87.52 C
|
| 42 |
+
ATOM 42 N ARG A 975 -8.128 16.956 16.449 1.00 86.69 N
|
| 43 |
+
ATOM 43 CA ARG A 975 -8.050 16.868 17.923 1.00 86.69 C
|
| 44 |
+
ATOM 44 C ARG A 975 -9.426 16.915 18.590 1.00 86.69 C
|
| 45 |
+
ATOM 45 CB ARG A 975 -7.165 17.985 18.496 1.00 86.69 C
|
| 46 |
+
ATOM 46 O ARG A 975 -9.634 16.195 19.560 1.00 86.69 O
|
| 47 |
+
ATOM 47 CG ARG A 975 -5.668 17.677 18.383 1.00 86.69 C
|
| 48 |
+
ATOM 48 CD ARG A 975 -4.849 18.891 18.828 1.00 86.69 C
|
| 49 |
+
ATOM 49 NE ARG A 975 -3.405 18.661 18.655 1.00 86.69 N
|
| 50 |
+
ATOM 50 NH1 ARG A 975 -2.652 20.616 19.593 1.00 86.69 N
|
| 51 |
+
ATOM 51 NH2 ARG A 975 -1.195 19.080 18.879 1.00 86.69 N
|
| 52 |
+
ATOM 52 CZ ARG A 975 -2.428 19.457 19.040 1.00 86.69 C
|
| 53 |
+
ATOM 53 N GLN A 976 -10.353 17.744 18.110 1.00 83.77 N
|
| 54 |
+
ATOM 54 CA GLN A 976 -11.712 17.840 18.657 1.00 83.77 C
|
| 55 |
+
ATOM 55 C GLN A 976 -12.512 16.551 18.435 1.00 83.77 C
|
| 56 |
+
ATOM 56 CB GLN A 976 -12.439 19.049 18.047 1.00 83.77 C
|
| 57 |
+
ATOM 57 O GLN A 976 -13.164 16.086 19.368 1.00 83.77 O
|
| 58 |
+
ATOM 58 CG GLN A 976 -11.976 20.371 18.679 1.00 83.77 C
|
| 59 |
+
ATOM 59 CD GLN A 976 -12.484 21.604 17.935 1.00 83.77 C
|
| 60 |
+
ATOM 60 NE2 GLN A 976 -12.561 22.743 18.588 1.00 83.77 N
|
| 61 |
+
ATOM 61 OE1 GLN A 976 -12.797 21.597 16.758 1.00 83.77 O
|
| 62 |
+
ATOM 62 N GLU A 977 -12.404 15.941 17.253 1.00 85.70 N
|
| 63 |
+
ATOM 63 CA GLU A 977 -13.015 14.644 16.941 1.00 85.70 C
|
| 64 |
+
ATOM 64 C GLU A 977 -12.474 13.534 17.860 1.00 85.70 C
|
| 65 |
+
ATOM 65 CB GLU A 977 -12.739 14.323 15.465 1.00 85.70 C
|
| 66 |
+
ATOM 66 O GLU A 977 -13.241 12.828 18.518 1.00 85.70 O
|
| 67 |
+
ATOM 67 CG GLU A 977 -13.599 13.161 14.952 1.00 85.70 C
|
| 68 |
+
ATOM 68 CD GLU A 977 -13.018 12.528 13.681 1.00 85.70 C
|
| 69 |
+
ATOM 69 OE1 GLU A 977 -13.201 11.298 13.539 1.00 85.70 O
|
| 70 |
+
ATOM 70 OE2 GLU A 977 -12.346 13.250 12.908 1.00 85.70 O
|
| 71 |
+
ATOM 71 N TRP A 978 -11.148 13.433 18.013 1.00 87.19 N
|
| 72 |
+
ATOM 72 CA TRP A 978 -10.542 12.463 18.931 1.00 87.19 C
|
| 73 |
+
ATOM 73 C TRP A 978 -10.895 12.738 20.400 1.00 87.19 C
|
| 74 |
+
ATOM 74 CB TRP A 978 -9.032 12.367 18.686 1.00 87.19 C
|
| 75 |
+
ATOM 75 O TRP A 978 -11.169 11.794 21.134 1.00 87.19 O
|
| 76 |
+
ATOM 76 CG TRP A 978 -8.683 11.474 17.534 1.00 87.19 C
|
| 77 |
+
ATOM 77 CD1 TRP A 978 -8.608 11.846 16.238 1.00 87.19 C
|
| 78 |
+
ATOM 78 CD2 TRP A 978 -8.463 10.028 17.538 1.00 87.19 C
|
| 79 |
+
ATOM 79 CE2 TRP A 978 -8.244 9.598 16.195 1.00 87.19 C
|
| 80 |
+
ATOM 80 CE3 TRP A 978 -8.455 9.030 18.537 1.00 87.19 C
|
| 81 |
+
ATOM 81 NE1 TRP A 978 -8.370 10.745 15.445 1.00 87.19 N
|
| 82 |
+
ATOM 82 CH2 TRP A 978 -7.981 7.294 16.884 1.00 87.19 C
|
| 83 |
+
ATOM 83 CZ2 TRP A 978 -8.004 8.257 15.861 1.00 87.19 C
|
| 84 |
+
ATOM 84 CZ3 TRP A 978 -8.213 7.680 18.217 1.00 87.19 C
|
| 85 |
+
ATOM 85 N LEU A 979 -10.987 14.001 20.833 1.00 85.63 N
|
| 86 |
+
ATOM 86 CA LEU A 979 -11.477 14.374 22.171 1.00 85.63 C
|
| 87 |
+
ATOM 87 C LEU A 979 -12.986 14.134 22.368 1.00 85.63 C
|
| 88 |
+
ATOM 88 CB LEU A 979 -11.153 15.854 22.456 1.00 85.63 C
|
| 89 |
+
ATOM 89 O LEU A 979 -13.459 14.182 23.506 1.00 85.63 O
|
| 90 |
+
ATOM 90 CG LEU A 979 -9.676 16.160 22.755 1.00 85.63 C
|
| 91 |
+
ATOM 91 CD1 LEU A 979 -9.465 17.674 22.786 1.00 85.63 C
|
| 92 |
+
ATOM 92 CD2 LEU A 979 -9.218 15.587 24.098 1.00 85.63 C
|
| 93 |
+
ATOM 93 N ALA A 980 -13.767 13.912 21.311 1.00 83.55 N
|
| 94 |
+
ATOM 94 CA ALA A 980 -15.139 13.421 21.418 1.00 83.55 C
|
| 95 |
+
ATOM 95 C ALA A 980 -15.143 11.892 21.557 1.00 83.55 C
|
| 96 |
+
ATOM 96 CB ALA A 980 -15.960 13.929 20.226 1.00 83.55 C
|
| 97 |
+
ATOM 97 O ALA A 980 -15.670 11.370 22.539 1.00 83.55 O
|
| 98 |
+
ATOM 98 N ASN A 981 -14.471 11.194 20.638 1.00 86.11 N
|
| 99 |
+
ATOM 99 CA ASN A 981 -14.461 9.732 20.564 1.00 86.11 C
|
| 100 |
+
ATOM 100 C ASN A 981 -13.774 9.066 21.772 1.00 86.11 C
|
| 101 |
+
ATOM 101 CB ASN A 981 -13.817 9.333 19.220 1.00 86.11 C
|
| 102 |
+
ATOM 102 O ASN A 981 -14.285 8.081 22.298 1.00 86.11 O
|
| 103 |
+
ATOM 103 CG ASN A 981 -14.677 9.705 18.018 1.00 86.11 C
|
| 104 |
+
ATOM 104 ND2 ASN A 981 -14.087 9.889 16.859 1.00 86.11 N
|
| 105 |
+
ATOM 105 OD1 ASN A 981 -15.887 9.815 18.105 1.00 86.11 O
|
| 106 |
+
ATOM 106 N LEU A 982 -12.661 9.615 22.275 1.00 86.64 N
|
| 107 |
+
ATOM 107 CA LEU A 982 -11.901 9.036 23.398 1.00 86.64 C
|
| 108 |
+
ATOM 108 C LEU A 982 -12.671 8.971 24.725 1.00 86.64 C
|
| 109 |
+
ATOM 109 CB LEU A 982 -10.592 9.816 23.597 1.00 86.64 C
|
| 110 |
+
ATOM 110 O LEU A 982 -12.308 8.164 25.577 1.00 86.64 O
|
| 111 |
+
ATOM 111 CG LEU A 982 -9.507 9.478 22.561 1.00 86.64 C
|
| 112 |
+
ATOM 112 CD1 LEU A 982 -8.395 10.514 22.679 1.00 86.64 C
|
| 113 |
+
ATOM 113 CD2 LEU A 982 -8.886 8.096 22.788 1.00 86.64 C
|
| 114 |
+
ATOM 114 N LYS A 983 -13.737 9.762 24.893 1.00 85.03 N
|
| 115 |
+
ATOM 115 CA LYS A 983 -14.627 9.707 26.070 1.00 85.03 C
|
| 116 |
+
ATOM 116 C LYS A 983 -15.470 8.433 26.127 1.00 85.03 C
|
| 117 |
+
ATOM 117 CB LYS A 983 -15.581 10.904 26.042 1.00 85.03 C
|
| 118 |
+
ATOM 118 O LYS A 983 -15.939 8.059 27.194 1.00 85.03 O
|
| 119 |
+
ATOM 119 CG LYS A 983 -14.869 12.243 26.253 1.00 85.03 C
|
| 120 |
+
ATOM 120 CD LYS A 983 -15.790 13.372 25.790 1.00 85.03 C
|
| 121 |
+
ATOM 121 CE LYS A 983 -15.106 14.726 25.990 1.00 85.03 C
|
| 122 |
+
ATOM 122 NZ LYS A 983 -15.418 15.628 24.858 1.00 85.03 N
|
| 123 |
+
ATOM 123 N LEU A 984 -15.691 7.802 24.974 1.00 84.26 N
|
| 124 |
+
ATOM 124 CA LEU A 984 -16.515 6.600 24.813 1.00 84.26 C
|
| 125 |
+
ATOM 125 C LEU A 984 -15.670 5.316 24.763 1.00 84.26 C
|
| 126 |
+
ATOM 126 CB LEU A 984 -17.373 6.756 23.541 1.00 84.26 C
|
| 127 |
+
ATOM 127 O LEU A 984 -16.213 4.233 24.577 1.00 84.26 O
|
| 128 |
+
ATOM 128 CG LEU A 984 -18.251 8.020 23.483 1.00 84.26 C
|
| 129 |
+
ATOM 129 CD1 LEU A 984 -19.010 8.058 22.156 1.00 84.26 C
|
| 130 |
+
ATOM 130 CD2 LEU A 984 -19.270 8.077 24.623 1.00 84.26 C
|
| 131 |
+
ATOM 131 N ILE A 985 -14.346 5.445 24.887 1.00 86.62 N
|
| 132 |
+
ATOM 132 CA ILE A 985 -13.369 4.371 24.701 1.00 86.62 C
|
| 133 |
+
ATOM 133 C ILE A 985 -12.827 3.932 26.063 1.00 86.62 C
|
| 134 |
+
ATOM 134 CB ILE A 985 -12.278 4.852 23.712 1.00 86.62 C
|
| 135 |
+
ATOM 135 O ILE A 985 -12.375 4.756 26.866 1.00 86.62 O
|
| 136 |
+
ATOM 136 CG1 ILE A 985 -12.886 4.919 22.288 1.00 86.62 C
|
| 137 |
+
ATOM 137 CG2 ILE A 985 -11.020 3.970 23.697 1.00 86.62 C
|
| 138 |
+
ATOM 138 CD1 ILE A 985 -11.969 5.505 21.206 1.00 86.62 C
|
| 139 |
+
ATOM 139 N SER A 986 -12.846 2.621 26.298 1.00 89.40 N
|
| 140 |
+
ATOM 140 CA SER A 986 -12.205 1.984 27.447 1.00 89.40 C
|
| 141 |
+
ATOM 141 C SER A 986 -10.728 1.686 27.167 1.00 89.40 C
|
| 142 |
+
ATOM 142 CB SER A 986 -12.979 0.743 27.902 1.00 89.40 C
|
| 143 |
+
ATOM 143 O SER A 986 -10.359 1.190 26.099 1.00 89.40 O
|
| 144 |
+
ATOM 144 OG SER A 986 -13.033 -0.238 26.890 1.00 89.40 O
|
| 145 |
+
ATOM 145 N VAL A 987 -9.870 2.019 28.129 1.00 91.58 N
|
| 146 |
+
ATOM 146 CA VAL A 987 -8.409 1.938 28.015 1.00 91.58 C
|
| 147 |
+
ATOM 147 C VAL A 987 -7.854 1.179 29.214 1.00 91.58 C
|
| 148 |
+
ATOM 148 CB VAL A 987 -7.777 3.345 27.921 1.00 91.58 C
|
| 149 |
+
ATOM 149 O VAL A 987 -8.069 1.587 30.354 1.00 91.58 O
|
| 150 |
+
ATOM 150 CG1 VAL A 987 -6.265 3.260 27.680 1.00 91.58 C
|
| 151 |
+
ATOM 151 CG2 VAL A 987 -8.373 4.183 26.781 1.00 91.58 C
|
| 152 |
+
ATOM 152 N SER A 988 -7.100 0.109 28.971 1.00 90.79 N
|
| 153 |
+
ATOM 153 CA SER A 988 -6.318 -0.571 30.008 1.00 90.79 C
|
| 154 |
+
ATOM 154 C SER A 988 -4.824 -0.373 29.766 1.00 90.79 C
|
| 155 |
+
ATOM 155 CB SER A 988 -6.697 -2.046 30.106 1.00 90.79 C
|
| 156 |
+
ATOM 156 O SER A 988 -4.369 -0.319 28.623 1.00 90.79 O
|
| 157 |
+
ATOM 157 OG SER A 988 -6.133 -2.609 31.268 1.00 90.79 O
|
| 158 |
+
ATOM 158 N LEU A 989 -4.067 -0.224 30.850 1.00 90.48 N
|
| 159 |
+
ATOM 159 CA LEU A 989 -2.616 -0.058 30.853 1.00 90.48 C
|
| 160 |
+
ATOM 160 C LEU A 989 -2.061 -1.288 31.569 1.00 90.48 C
|
| 161 |
+
ATOM 161 CB LEU A 989 -2.208 1.244 31.577 1.00 90.48 C
|
| 162 |
+
ATOM 162 O LEU A 989 -2.349 -1.464 32.752 1.00 90.48 O
|
| 163 |
+
ATOM 163 CG LEU A 989 -2.673 2.574 30.948 1.00 90.48 C
|
| 164 |
+
ATOM 164 CD1 LEU A 989 -4.141 2.929 31.221 1.00 90.48 C
|
| 165 |
+
ATOM 165 CD2 LEU A 989 -1.858 3.721 31.542 1.00 90.48 C
|
| 166 |
+
ATOM 166 N VAL A 990 -1.339 -2.158 30.860 1.00 87.16 N
|
| 167 |
+
ATOM 167 CA VAL A 990 -0.983 -3.476 31.410 1.00 87.16 C
|
| 168 |
+
ATOM 168 C VAL A 990 0.338 -3.421 32.164 1.00 87.16 C
|
| 169 |
+
ATOM 169 CB VAL A 990 -0.986 -4.607 30.365 1.00 87.16 C
|
| 170 |
+
ATOM 170 O VAL A 990 1.301 -2.801 31.707 1.00 87.16 O
|
| 171 |
+
ATOM 171 CG1 VAL A 990 -1.153 -5.946 31.100 1.00 87.16 C
|
| 172 |
+
ATOM 172 CG2 VAL A 990 -2.136 -4.487 29.358 1.00 87.16 C
|
| 173 |
+
ATOM 173 N ASP A 991 0.387 -4.076 33.324 1.00 84.18 N
|
| 174 |
+
ATOM 174 CA ASP A 991 1.537 -3.984 34.220 1.00 84.18 C
|
| 175 |
+
ATOM 175 C ASP A 991 2.712 -4.911 33.880 1.00 84.18 C
|
| 176 |
+
ATOM 176 CB ASP A 991 1.093 -4.078 35.690 1.00 84.18 C
|
| 177 |
+
ATOM 177 O ASP A 991 3.838 -4.628 34.303 1.00 84.18 O
|
| 178 |
+
ATOM 178 CG ASP A 991 0.821 -2.683 36.263 1.00 84.18 C
|
| 179 |
+
ATOM 179 OD1 ASP A 991 1.712 -1.812 36.071 1.00 84.18 O
|
| 180 |
+
ATOM 180 OD2 ASP A 991 -0.251 -2.489 36.875 1.00 84.18 O
|
| 181 |
+
ATOM 181 N GLU A 992 2.487 -5.952 33.071 1.00 83.76 N
|
| 182 |
+
ATOM 182 CA GLU A 992 3.548 -6.824 32.559 1.00 83.76 C
|
| 183 |
+
ATOM 183 C GLU A 992 4.605 -6.036 31.758 1.00 83.76 C
|
| 184 |
+
ATOM 184 CB GLU A 992 2.995 -7.914 31.628 1.00 83.76 C
|
| 185 |
+
ATOM 185 O GLU A 992 4.294 -5.168 30.933 1.00 83.76 O
|
| 186 |
+
ATOM 186 CG GLU A 992 2.005 -8.958 32.175 1.00 83.76 C
|
| 187 |
+
ATOM 187 CD GLU A 992 1.673 -10.016 31.093 1.00 83.76 C
|
| 188 |
+
ATOM 188 OE1 GLU A 992 0.986 -11.019 31.377 1.00 83.76 O
|
| 189 |
+
ATOM 189 OE2 GLU A 992 2.120 -9.851 29.934 1.00 83.76 O
|
| 190 |
+
ATOM 190 N PHE A 993 5.870 -6.420 31.925 1.00 83.50 N
|
| 191 |
+
ATOM 191 CA PHE A 993 6.990 -5.931 31.121 1.00 83.50 C
|
| 192 |
+
ATOM 192 C PHE A 993 7.399 -6.951 30.049 1.00 83.50 C
|
| 193 |
+
ATOM 193 CB PHE A 993 8.186 -5.644 32.031 1.00 83.50 C
|
| 194 |
+
ATOM 194 O PHE A 993 7.310 -8.155 30.304 1.00 83.50 O
|
| 195 |
+
ATOM 195 CG PHE A 993 8.054 -4.401 32.881 1.00 83.50 C
|
| 196 |
+
ATOM 196 CD1 PHE A 993 8.396 -3.151 32.335 1.00 83.50 C
|
| 197 |
+
ATOM 197 CD2 PHE A 993 7.633 -4.492 34.221 1.00 83.50 C
|
| 198 |
+
ATOM 198 CE1 PHE A 993 8.367 -2.002 33.139 1.00 83.50 C
|
| 199 |
+
ATOM 199 CE2 PHE A 993 7.609 -3.341 35.028 1.00 83.50 C
|
| 200 |
+
ATOM 200 CZ PHE A 993 7.999 -2.103 34.489 1.00 83.50 C
|
| 201 |
+
ATOM 201 N PRO A 994 7.926 -6.498 28.898 1.00 83.43 N
|
| 202 |
+
ATOM 202 CA PRO A 994 8.618 -7.378 27.967 1.00 83.43 C
|
| 203 |
+
ATOM 203 C PRO A 994 9.895 -7.987 28.576 1.00 83.43 C
|
| 204 |
+
ATOM 204 CB PRO A 994 8.932 -6.502 26.752 1.00 83.43 C
|
| 205 |
+
ATOM 205 O PRO A 994 10.414 -7.550 29.616 1.00 83.43 O
|
| 206 |
+
ATOM 206 CG PRO A 994 9.124 -5.128 27.378 1.00 83.43 C
|
| 207 |
+
ATOM 207 CD PRO A 994 8.039 -5.114 28.451 1.00 83.43 C
|
| 208 |
+
ATOM 208 N SER A 995 10.415 -9.002 27.891 1.00 67.35 N
|
| 209 |
+
ATOM 209 CA SER A 995 11.746 -9.560 28.122 1.00 67.35 C
|
| 210 |
+
ATOM 210 C SER A 995 12.843 -8.494 27.929 1.00 67.35 C
|
| 211 |
+
ATOM 211 CB SER A 995 11.948 -10.749 27.168 1.00 67.35 C
|
| 212 |
+
ATOM 212 O SER A 995 12.634 -7.481 27.270 1.00 67.35 O
|
| 213 |
+
ATOM 213 OG SER A 995 10.947 -11.736 27.391 1.00 67.35 O
|
| 214 |
+
ATOM 214 N GLU A 996 14.015 -8.716 28.530 1.00 70.00 N
|
| 215 |
+
ATOM 215 CA GLU A 996 15.269 -7.969 28.278 1.00 70.00 C
|
| 216 |
+
ATOM 216 C GLU A 996 15.350 -6.478 28.706 1.00 70.00 C
|
| 217 |
+
ATOM 217 CB GLU A 996 15.759 -8.227 26.833 1.00 70.00 C
|
| 218 |
+
ATOM 218 O GLU A 996 16.439 -5.911 28.675 1.00 70.00 O
|
| 219 |
+
ATOM 219 CG GLU A 996 15.997 -9.730 26.574 1.00 70.00 C
|
| 220 |
+
ATOM 220 CD GLU A 996 16.381 -10.071 25.125 1.00 70.00 C
|
| 221 |
+
ATOM 221 OE1 GLU A 996 16.085 -11.222 24.727 1.00 70.00 O
|
| 222 |
+
ATOM 222 OE2 GLU A 996 16.976 -9.210 24.440 1.00 70.00 O
|
| 223 |
+
ATOM 223 N LEU A 997 14.285 -5.841 29.221 1.00 75.97 N
|
| 224 |
+
ATOM 224 CA LEU A 997 14.393 -4.483 29.805 1.00 75.97 C
|
| 225 |
+
ATOM 225 C LEU A 997 15.230 -4.428 31.098 1.00 75.97 C
|
| 226 |
+
ATOM 226 CB LEU A 997 13.006 -3.892 30.109 1.00 75.97 C
|
| 227 |
+
ATOM 227 O LEU A 997 15.002 -5.236 32.007 1.00 75.97 O
|
| 228 |
+
ATOM 228 CG LEU A 997 12.242 -3.338 28.900 1.00 75.97 C
|
| 229 |
+
ATOM 229 CD1 LEU A 997 10.866 -2.894 29.397 1.00 75.97 C
|
| 230 |
+
ATOM 230 CD2 LEU A 997 12.919 -2.123 28.265 1.00 75.97 C
|
| 231 |
+
ATOM 231 N SER A 998 16.089 -3.404 31.218 1.00 80.74 N
|
| 232 |
+
ATOM 232 CA SER A 998 16.859 -3.083 32.433 1.00 80.74 C
|
| 233 |
+
ATOM 233 C SER A 998 15.984 -2.501 33.553 1.00 80.74 C
|
| 234 |
+
ATOM 234 CB SER A 998 18.012 -2.113 32.113 1.00 80.74 C
|
| 235 |
+
ATOM 235 O SER A 998 14.929 -1.922 33.289 1.00 80.74 O
|
| 236 |
+
ATOM 236 OG SER A 998 17.601 -0.754 32.114 1.00 80.74 O
|
| 237 |
+
ATOM 237 N ASP A 999 16.428 -2.591 34.810 1.00 78.97 N
|
| 238 |
+
ATOM 238 CA ASP A 999 15.683 -2.044 35.957 1.00 78.97 C
|
| 239 |
+
ATOM 239 C ASP A 999 15.520 -0.516 35.901 1.00 78.97 C
|
| 240 |
+
ATOM 240 CB ASP A 999 16.350 -2.483 37.266 1.00 78.97 C
|
| 241 |
+
ATOM 241 O ASP A 999 14.459 0.011 36.245 1.00 78.97 O
|
| 242 |
+
ATOM 242 CG ASP A 999 16.280 -4.000 37.455 1.00 78.97 C
|
| 243 |
+
ATOM 243 OD1 ASP A 999 15.206 -4.571 37.151 1.00 78.97 O
|
| 244 |
+
ATOM 244 OD2 ASP A 999 17.313 -4.568 37.867 1.00 78.97 O
|
| 245 |
+
ATOM 245 N SER A1000 16.522 0.195 35.374 1.00 79.32 N
|
| 246 |
+
ATOM 246 CA SER A1000 16.436 1.631 35.082 1.00 79.32 C
|
| 247 |
+
ATOM 247 C SER A1000 15.334 1.951 34.069 1.00 79.32 C
|
| 248 |
+
ATOM 248 CB SER A1000 17.788 2.173 34.587 1.00 79.32 C
|
| 249 |
+
ATOM 249 O SER A1000 14.535 2.862 34.295 1.00 79.32 O
|
| 250 |
+
ATOM 250 OG SER A1000 18.604 1.192 33.963 1.00 79.32 O
|
| 251 |
+
ATOM 251 N ASP A1001 15.236 1.181 32.982 1.00 81.51 N
|
| 252 |
+
ATOM 252 CA ASP A1001 14.190 1.386 31.976 1.00 81.51 C
|
| 253 |
+
ATOM 253 C ASP A1001 12.812 1.012 32.531 1.00 81.51 C
|
| 254 |
+
ATOM 254 CB ASP A1001 14.491 0.591 30.700 1.00 81.51 C
|
| 255 |
+
ATOM 255 O ASP A1001 11.840 1.732 32.299 1.00 81.51 O
|
| 256 |
+
ATOM 256 CG ASP A1001 15.818 1.002 30.067 1.00 81.51 C
|
| 257 |
+
ATOM 257 OD1 ASP A1001 15.993 2.216 29.823 1.00 81.51 O
|
| 258 |
+
ATOM 258 OD2 ASP A1001 16.659 0.090 29.887 1.00 81.51 O
|
| 259 |
+
ATOM 259 N ARG A1002 12.723 -0.059 33.336 1.00 84.67 N
|
| 260 |
+
ATOM 260 CA ARG A1002 11.487 -0.470 34.026 1.00 84.67 C
|
| 261 |
+
ATOM 261 C ARG A1002 10.941 0.643 34.919 1.00 84.67 C
|
| 262 |
+
ATOM 262 CB ARG A1002 11.725 -1.752 34.847 1.00 84.67 C
|
| 263 |
+
ATOM 263 O ARG A1002 9.738 0.912 34.873 1.00 84.67 O
|
| 264 |
+
ATOM 264 CG ARG A1002 11.917 -2.993 33.965 1.00 84.67 C
|
| 265 |
+
ATOM 265 CD ARG A1002 12.433 -4.196 34.767 1.00 84.67 C
|
| 266 |
+
ATOM 266 NE ARG A1002 12.822 -5.281 33.852 1.00 84.67 N
|
| 267 |
+
ATOM 267 NH1 ARG A1002 10.869 -6.484 33.803 1.00 84.67 N
|
| 268 |
+
ATOM 268 NH2 ARG A1002 12.495 -6.907 32.327 1.00 84.67 N
|
| 269 |
+
ATOM 269 CZ ARG A1002 12.062 -6.226 33.344 1.00 84.67 C
|
| 270 |
+
ATOM 270 N GLN A1003 11.801 1.322 35.683 1.00 83.42 N
|
| 271 |
+
ATOM 271 CA GLN A1003 11.394 2.469 36.498 1.00 83.42 C
|
| 272 |
+
ATOM 272 C GLN A1003 10.915 3.642 35.625 1.00 83.42 C
|
| 273 |
+
ATOM 273 CB GLN A1003 12.531 2.877 37.452 1.00 83.42 C
|
| 274 |
+
ATOM 274 O GLN A1003 9.801 4.132 35.818 1.00 83.42 O
|
| 275 |
+
ATOM 275 CG GLN A1003 12.068 4.039 38.346 1.00 83.42 C
|
| 276 |
+
ATOM 276 CD GLN A1003 13.077 4.493 39.393 1.00 83.42 C
|
| 277 |
+
ATOM 277 NE2 GLN A1003 12.888 5.676 39.929 1.00 83.42 N
|
| 278 |
+
ATOM 278 OE1 GLN A1003 14.023 3.813 39.758 1.00 83.42 O
|
| 279 |
+
ATOM 279 N ILE A1004 11.707 4.052 34.627 1.00 84.03 N
|
| 280 |
+
ATOM 280 CA ILE A1004 11.382 5.183 33.739 1.00 84.03 C
|
| 281 |
+
ATOM 281 C ILE A1004 10.076 4.937 32.961 1.00 84.03 C
|
| 282 |
+
ATOM 282 CB ILE A1004 12.583 5.446 32.796 1.00 84.03 C
|
| 283 |
+
ATOM 283 O ILE A1004 9.290 5.865 32.747 1.00 84.03 O
|
| 284 |
+
ATOM 284 CG1 ILE A1004 13.792 5.984 33.599 1.00 84.03 C
|
| 285 |
+
ATOM 285 CG2 ILE A1004 12.226 6.442 31.673 1.00 84.03 C
|
| 286 |
+
ATOM 286 CD1 ILE A1004 15.116 5.949 32.823 1.00 84.03 C
|
| 287 |
+
ATOM 287 N ILE A1005 9.823 3.695 32.539 1.00 85.06 N
|
| 288 |
+
ATOM 288 CA ILE A1005 8.584 3.297 31.862 1.00 85.06 C
|
| 289 |
+
ATOM 289 C ILE A1005 7.404 3.317 32.840 1.00 85.06 C
|
| 290 |
+
ATOM 290 CB ILE A1005 8.763 1.938 31.144 1.00 85.06 C
|
| 291 |
+
ATOM 291 O ILE A1005 6.359 3.846 32.475 1.00 85.06 O
|
| 292 |
+
ATOM 292 CG1 ILE A1005 9.718 2.106 29.936 1.00 85.06 C
|
| 293 |
+
ATOM 293 CG2 ILE A1005 7.413 1.376 30.655 1.00 85.06 C
|
| 294 |
+
ATOM 294 CD1 ILE A1005 10.276 0.782 29.399 1.00 85.06 C
|
| 295 |
+
ATOM 295 N ASN A1006 7.550 2.830 34.079 1.00 86.75 N
|
| 296 |
+
ATOM 296 CA ASN A1006 6.489 2.914 35.094 1.00 86.75 C
|
| 297 |
+
ATOM 297 C ASN A1006 6.094 4.368 35.409 1.00 86.75 C
|
| 298 |
+
ATOM 298 CB ASN A1006 6.929 2.186 36.379 1.00 86.75 C
|
| 299 |
+
ATOM 299 O ASN A1006 4.906 4.691 35.402 1.00 86.75 O
|
| 300 |
+
ATOM 300 CG ASN A1006 6.649 0.695 36.394 1.00 86.75 C
|
| 301 |
+
ATOM 301 ND2 ASN A1006 7.213 -0.005 37.351 1.00 86.75 N
|
| 302 |
+
ATOM 302 OD1 ASN A1006 5.901 0.136 35.602 1.00 86.75 O
|
| 303 |
+
ATOM 303 N GLU A1007 7.068 5.257 35.629 1.00 87.18 N
|
| 304 |
+
ATOM 304 CA GLU A1007 6.816 6.682 35.905 1.00 87.18 C
|
| 305 |
+
ATOM 305 C GLU A1007 6.053 7.352 34.750 1.00 87.18 C
|
| 306 |
+
ATOM 306 CB GLU A1007 8.152 7.402 36.164 1.00 87.18 C
|
| 307 |
+
ATOM 307 O GLU A1007 5.038 8.023 34.962 1.00 87.18 O
|
| 308 |
+
ATOM 308 CG GLU A1007 8.779 7.018 37.517 1.00 87.18 C
|
| 309 |
+
ATOM 309 CD GLU A1007 10.178 7.621 37.741 1.00 87.18 C
|
| 310 |
+
ATOM 310 OE1 GLU A1007 10.854 7.165 38.696 1.00 87.18 O
|
| 311 |
+
ATOM 311 OE2 GLU A1007 10.569 8.530 36.973 1.00 87.18 O
|
| 312 |
+
ATOM 312 N LYS A1008 6.470 7.101 33.502 1.00 88.08 N
|
| 313 |
+
ATOM 313 CA LYS A1008 5.769 7.612 32.314 1.00 88.08 C
|
| 314 |
+
ATOM 314 C LYS A1008 4.418 6.931 32.077 1.00 88.08 C
|
| 315 |
+
ATOM 315 CB LYS A1008 6.666 7.492 31.080 1.00 88.08 C
|
| 316 |
+
ATOM 316 O LYS A1008 3.511 7.582 31.567 1.00 88.08 O
|
| 317 |
+
ATOM 317 CG LYS A1008 7.893 8.416 31.148 1.00 88.08 C
|
| 318 |
+
ATOM 318 CD LYS A1008 8.836 8.121 29.975 1.00 88.08 C
|
| 319 |
+
ATOM 319 CE LYS A1008 10.156 8.875 30.133 1.00 88.08 C
|
| 320 |
+
ATOM 320 NZ LYS A1008 11.171 8.358 29.182 1.00 88.08 N
|
| 321 |
+
ATOM 321 N MET A1009 4.248 5.662 32.447 1.00 88.41 N
|
| 322 |
+
ATOM 322 CA MET A1009 2.971 4.950 32.325 1.00 88.41 C
|
| 323 |
+
ATOM 323 C MET A1009 1.931 5.492 33.315 1.00 88.41 C
|
| 324 |
+
ATOM 324 CB MET A1009 3.184 3.433 32.480 1.00 88.41 C
|
| 325 |
+
ATOM 325 O MET A1009 0.763 5.627 32.955 1.00 88.41 O
|
| 326 |
+
ATOM 326 CG MET A1009 1.969 2.627 32.003 1.00 88.41 C
|
| 327 |
+
ATOM 327 SD MET A1009 1.627 2.765 30.220 1.00 88.41 S
|
| 328 |
+
ATOM 328 CE MET A1009 2.795 1.549 29.557 1.00 88.41 C
|
| 329 |
+
ATOM 329 N GLN A1010 2.347 5.903 34.518 1.00 87.16 N
|
| 330 |
+
ATOM 330 CA GLN A1010 1.470 6.616 35.450 1.00 87.16 C
|
| 331 |
+
ATOM 331 C GLN A1010 1.086 8.007 34.912 1.00 87.16 C
|
| 332 |
+
ATOM 332 CB GLN A1010 2.127 6.656 36.841 1.00 87.16 C
|
| 333 |
+
ATOM 333 O GLN A1010 -0.098 8.339 34.899 1.00 87.16 O
|
| 334 |
+
ATOM 334 CG GLN A1010 1.264 7.358 37.902 1.00 87.16 C
|
| 335 |
+
ATOM 335 CD GLN A1010 -0.162 6.812 38.013 1.00 87.16 C
|
| 336 |
+
ATOM 336 NE2 GLN A1010 -1.147 7.681 38.034 1.00 87.16 N
|
| 337 |
+
ATOM 337 OE1 GLN A1010 -0.415 5.613 38.068 1.00 87.16 O
|
| 338 |
+
ATOM 338 N LEU A1011 2.033 8.774 34.353 1.00 88.49 N
|
| 339 |
+
ATOM 339 CA LEU A1011 1.716 10.040 33.667 1.00 88.49 C
|
| 340 |
+
ATOM 340 C LEU A1011 0.740 9.841 32.491 1.00 88.49 C
|
| 341 |
+
ATOM 341 CB LEU A1011 3.012 10.717 33.179 1.00 88.49 C
|
| 342 |
+
ATOM 342 O LEU A1011 -0.180 10.639 32.308 1.00 88.49 O
|
| 343 |
+
ATOM 343 CG LEU A1011 3.900 11.301 34.295 1.00 88.49 C
|
| 344 |
+
ATOM 344 CD1 LEU A1011 5.247 11.725 33.707 1.00 88.49 C
|
| 345 |
+
ATOM 345 CD2 LEU A1011 3.267 12.534 34.947 1.00 88.49 C
|
| 346 |
+
ATOM 346 N LEU A1012 0.887 8.762 31.713 1.00 90.77 N
|
| 347 |
+
ATOM 347 CA LEU A1012 -0.074 8.392 30.668 1.00 90.77 C
|
| 348 |
+
ATOM 348 C LEU A1012 -1.460 8.084 31.255 1.00 90.77 C
|
| 349 |
+
ATOM 349 CB LEU A1012 0.458 7.198 29.850 1.00 90.77 C
|
| 350 |
+
ATOM 350 O LEU A1012 -2.451 8.598 30.738 1.00 90.77 O
|
| 351 |
+
ATOM 351 CG LEU A1012 1.567 7.546 28.840 1.00 90.77 C
|
| 352 |
+
ATOM 352 CD1 LEU A1012 2.115 6.261 28.217 1.00 90.77 C
|
| 353 |
+
ATOM 353 CD2 LEU A1012 1.034 8.431 27.712 1.00 90.77 C
|
| 354 |
+
ATOM 354 N LYS A1013 -1.540 7.310 32.346 1.00 89.48 N
|
| 355 |
+
ATOM 355 CA LYS A1013 -2.793 7.001 33.062 1.00 89.48 C
|
| 356 |
+
ATOM 356 C LYS A1013 -3.537 8.277 33.456 1.00 89.48 C
|
| 357 |
+
ATOM 357 CB LYS A1013 -2.457 6.147 34.299 1.00 89.48 C
|
| 358 |
+
ATOM 358 O LYS A1013 -4.729 8.409 33.177 1.00 89.48 O
|
| 359 |
+
ATOM 359 CG LYS A1013 -3.656 5.359 34.847 1.00 89.48 C
|
| 360 |
+
ATOM 360 CD LYS A1013 -3.162 4.389 35.932 1.00 89.48 C
|
| 361 |
+
ATOM 361 CE LYS A1013 -4.287 3.487 36.452 1.00 89.48 C
|
| 362 |
+
ATOM 362 NZ LYS A1013 -3.743 2.390 37.296 1.00 89.48 N
|
| 363 |
+
ATOM 363 N ASP A1014 -2.810 9.242 34.015 1.00 88.83 N
|
| 364 |
+
ATOM 364 CA ASP A1014 -3.357 10.527 34.445 1.00 88.83 C
|
| 365 |
+
ATOM 365 C ASP A1014 -3.786 11.409 33.258 1.00 88.83 C
|
| 366 |
+
ATOM 366 CB ASP A1014 -2.340 11.233 35.360 1.00 88.83 C
|
| 367 |
+
ATOM 367 O ASP A1014 -4.803 12.098 33.348 1.00 88.83 O
|
| 368 |
+
ATOM 368 CG ASP A1014 -2.114 10.475 36.678 1.00 88.83 C
|
| 369 |
+
ATOM 369 OD1 ASP A1014 -3.083 9.855 37.172 1.00 88.83 O
|
| 370 |
+
ATOM 370 OD2 ASP A1014 -0.982 10.509 37.209 1.00 88.83 O
|
| 371 |
+
ATOM 371 N ILE A1015 -3.089 11.355 32.117 1.00 89.98 N
|
| 372 |
+
ATOM 372 CA ILE A1015 -3.499 12.053 30.885 1.00 89.98 C
|
| 373 |
+
ATOM 373 C ILE A1015 -4.766 11.426 30.280 1.00 89.98 C
|
| 374 |
+
ATOM 374 CB ILE A1015 -2.323 12.114 29.880 1.00 89.98 C
|
| 375 |
+
ATOM 375 O ILE A1015 -5.684 12.161 29.902 1.00 89.98 O
|
| 376 |
+
ATOM 376 CG1 ILE A1015 -1.230 13.077 30.404 1.00 89.98 C
|
| 377 |
+
ATOM 377 CG2 ILE A1015 -2.790 12.577 28.485 1.00 89.98 C
|
| 378 |
+
ATOM 378 CD1 ILE A1015 0.117 12.950 29.678 1.00 89.98 C
|
| 379 |
+
ATOM 379 N PHE A1016 -4.863 10.093 30.208 1.00 89.95 N
|
| 380 |
+
ATOM 380 CA PHE A1016 -6.063 9.423 29.692 1.00 89.95 C
|
| 381 |
+
ATOM 381 C PHE A1016 -7.287 9.671 30.585 1.00 89.95 C
|
| 382 |
+
ATOM 382 CB PHE A1016 -5.811 7.926 29.451 1.00 89.95 C
|
| 383 |
+
ATOM 383 O PHE A1016 -8.350 10.015 30.066 1.00 89.95 O
|
| 384 |
+
ATOM 384 CG PHE A1016 -5.224 7.620 28.083 1.00 89.95 C
|
| 385 |
+
ATOM 385 CD1 PHE A1016 -6.071 7.525 26.961 1.00 89.95 C
|
| 386 |
+
ATOM 386 CD2 PHE A1016 -3.840 7.430 27.921 1.00 89.95 C
|
| 387 |
+
ATOM 387 CE1 PHE A1016 -5.536 7.248 25.690 1.00 89.95 C
|
| 388 |
+
ATOM 388 CE2 PHE A1016 -3.302 7.171 26.650 1.00 89.95 C
|
| 389 |
+
ATOM 389 CZ PHE A1016 -4.149 7.076 25.534 1.00 89.95 C
|
| 390 |
+
ATOM 390 N ALA A1017 -7.130 9.586 31.909 1.00 88.40 N
|
| 391 |
+
ATOM 391 CA ALA A1017 -8.217 9.816 32.860 1.00 88.40 C
|
| 392 |
+
ATOM 392 C ALA A1017 -8.655 11.292 32.933 1.00 88.40 C
|
| 393 |
+
ATOM 393 CB ALA A1017 -7.770 9.295 34.232 1.00 88.40 C
|
| 394 |
+
ATOM 394 O ALA A1017 -9.840 11.593 32.795 1.00 88.40 O
|
| 395 |
+
ATOM 395 N ASN A1018 -7.720 12.229 33.135 1.00 86.90 N
|
| 396 |
+
ATOM 396 CA ASN A1018 -8.066 13.625 33.431 1.00 86.90 C
|
| 397 |
+
ATOM 397 C ASN A1018 -8.262 14.477 32.167 1.00 86.90 C
|
| 398 |
+
ATOM 398 CB ASN A1018 -7.004 14.240 34.359 1.00 86.90 C
|
| 399 |
+
ATOM 399 O ASN A1018 -9.211 15.264 32.091 1.00 86.90 O
|
| 400 |
+
ATOM 400 CG ASN A1018 -6.873 13.500 35.679 1.00 86.90 C
|
| 401 |
+
ATOM 401 ND2 ASN A1018 -5.747 12.879 35.931 1.00 86.90 N
|
| 402 |
+
ATOM 402 OD1 ASN A1018 -7.787 13.467 36.484 1.00 86.90 O
|
| 403 |
+
ATOM 403 N ASN A1019 -7.382 14.324 31.171 1.00 85.85 N
|
| 404 |
+
ATOM 404 CA ASN A1019 -7.326 15.230 30.018 1.00 85.85 C
|
| 405 |
+
ATOM 405 C ASN A1019 -8.150 14.710 28.833 1.00 85.85 C
|
| 406 |
+
ATOM 406 CB ASN A1019 -5.864 15.481 29.606 1.00 85.85 C
|
| 407 |
+
ATOM 407 O ASN A1019 -8.893 15.474 28.215 1.00 85.85 O
|
| 408 |
+
ATOM 408 CG ASN A1019 -4.980 16.099 30.675 1.00 85.85 C
|
| 409 |
+
ATOM 409 ND2 ASN A1019 -3.702 16.220 30.402 1.00 85.85 N
|
| 410 |
+
ATOM 410 OD1 ASN A1019 -5.401 16.497 31.744 1.00 85.85 O
|
| 411 |
+
ATOM 411 N LEU A1020 -8.028 13.415 28.519 1.00 86.50 N
|
| 412 |
+
ATOM 412 CA LEU A1020 -8.767 12.762 27.428 1.00 86.50 C
|
| 413 |
+
ATOM 413 C LEU A1020 -10.151 12.257 27.875 1.00 86.50 C
|
| 414 |
+
ATOM 414 CB LEU A1020 -7.906 11.636 26.823 1.00 86.50 C
|
| 415 |
+
ATOM 415 O LEU A1020 -11.041 12.110 27.038 1.00 86.50 O
|
| 416 |
+
ATOM 416 CG LEU A1020 -6.529 12.089 26.291 1.00 86.50 C
|
| 417 |
+
ATOM 417 CD1 LEU A1020 -5.692 10.898 25.822 1.00 86.50 C
|
| 418 |
+
ATOM 418 CD2 LEU A1020 -6.667 13.064 25.120 1.00 86.50 C
|
| 419 |
+
ATOM 419 N LYS A1021 -10.346 12.070 29.190 1.00 86.33 N
|
| 420 |
+
ATOM 420 CA LYS A1021 -11.578 11.578 29.835 1.00 86.33 C
|
| 421 |
+
ATOM 421 C LYS A1021 -12.012 10.184 29.364 1.00 86.33 C
|
| 422 |
+
ATOM 422 CB LYS A1021 -12.701 12.626 29.766 1.00 86.33 C
|
| 423 |
+
ATOM 423 O LYS A1021 -13.206 9.907 29.279 1.00 86.33 O
|
| 424 |
+
ATOM 424 CG LYS A1021 -12.305 13.971 30.385 1.00 86.33 C
|
| 425 |
+
ATOM 425 CD LYS A1021 -13.523 14.900 30.428 1.00 86.33 C
|
| 426 |
+
ATOM 426 CE LYS A1021 -13.106 16.227 31.066 1.00 86.33 C
|
| 427 |
+
ATOM 427 NZ LYS A1021 -14.280 17.092 31.338 1.00 86.33 N
|
| 428 |
+
ATOM 428 N SER A1022 -11.046 9.321 29.059 1.00 88.57 N
|
| 429 |
+
ATOM 429 CA SER A1022 -11.279 7.915 28.711 1.00 88.57 C
|
| 430 |
+
ATOM 430 C SER A1022 -11.570 7.066 29.949 1.00 88.57 C
|
| 431 |
+
ATOM 431 CB SER A1022 -10.075 7.341 27.962 1.00 88.57 C
|
| 432 |
+
ATOM 432 O SER A1022 -11.075 7.350 31.042 1.00 88.57 O
|
| 433 |
+
ATOM 433 OG SER A1022 -9.857 8.070 26.770 1.00 88.57 O
|
| 434 |
+
ATOM 434 N ALA A1023 -12.346 5.995 29.778 1.00 88.58 N
|
| 435 |
+
ATOM 435 CA ALA A1023 -12.667 5.078 30.866 1.00 88.58 C
|
| 436 |
+
ATOM 436 C ALA A1023 -11.481 4.136 31.135 1.00 88.58 C
|
| 437 |
+
ATOM 437 CB ALA A1023 -13.959 4.330 30.510 1.00 88.58 C
|
| 438 |
+
ATOM 438 O ALA A1023 -11.199 3.245 30.335 1.00 88.58 O
|
| 439 |
+
ATOM 439 N ILE A1024 -10.772 4.324 32.251 1.00 89.17 N
|
| 440 |
+
ATOM 440 CA ILE A1024 -9.669 3.433 32.634 1.00 89.17 C
|
| 441 |
+
ATOM 441 C ILE A1024 -10.237 2.112 33.165 1.00 89.17 C
|
| 442 |
+
ATOM 442 CB ILE A1024 -8.707 4.093 33.645 1.00 89.17 C
|
| 443 |
+
ATOM 443 O ILE A1024 -10.964 2.112 34.157 1.00 89.17 O
|
| 444 |
+
ATOM 444 CG1 ILE A1024 -8.177 5.469 33.181 1.00 89.17 C
|
| 445 |
+
ATOM 445 CG2 ILE A1024 -7.525 3.154 33.954 1.00 89.17 C
|
| 446 |
+
ATOM 446 CD1 ILE A1024 -7.462 5.489 31.824 1.00 89.17 C
|
| 447 |
+
ATOM 447 N SER A1025 -9.887 0.996 32.523 1.00 86.70 N
|
| 448 |
+
ATOM 448 CA SER A1025 -10.294 -0.353 32.928 1.00 86.70 C
|
| 449 |
+
ATOM 449 C SER A1025 -9.138 -1.134 33.551 1.00 86.70 C
|
| 450 |
+
ATOM 450 CB SER A1025 -10.853 -1.136 31.742 1.00 86.70 C
|
| 451 |
+
ATOM 451 O SER A1025 -8.027 -1.176 33.013 1.00 86.70 O
|
| 452 |
+
ATOM 452 OG SER A1025 -11.274 -2.411 32.192 1.00 86.70 O
|
| 453 |
+
ATOM 453 N ASN A1026 -9.435 -1.824 34.653 1.00 83.46 N
|
| 454 |
+
ATOM 454 CA ASN A1026 -8.529 -2.798 35.261 1.00 83.46 C
|
| 455 |
+
ATOM 455 C ASN A1026 -8.502 -4.128 34.481 1.00 83.46 C
|
| 456 |
+
ATOM 456 CB ASN A1026 -8.946 -3.024 36.726 1.00 83.46 C
|
| 457 |
+
ATOM 457 O ASN A1026 -7.515 -4.851 34.569 1.00 83.46 O
|
| 458 |
+
ATOM 458 CG ASN A1026 -8.828 -1.800 37.622 1.00 83.46 C
|
| 459 |
+
ATOM 459 ND2 ASN A1026 -9.460 -1.842 38.772 1.00 83.46 N
|
| 460 |
+
ATOM 460 OD1 ASN A1026 -8.186 -0.803 37.333 1.00 83.46 O
|
| 461 |
+
ATOM 461 N ASN A1027 -9.551 -4.449 33.708 1.00 84.58 N
|
| 462 |
+
ATOM 462 CA ASN A1027 -9.609 -5.661 32.887 1.00 84.58 C
|
| 463 |
+
ATOM 463 C ASN A1027 -9.245 -5.352 31.425 1.00 84.58 C
|
| 464 |
+
ATOM 464 CB ASN A1027 -10.988 -6.340 33.019 1.00 84.58 C
|
| 465 |
+
ATOM 465 O ASN A1027 -10.003 -4.699 30.695 1.00 84.58 O
|
| 466 |
+
ATOM 466 CG ASN A1027 -11.024 -7.694 32.319 1.00 84.58 C
|
| 467 |
+
ATOM 467 ND2 ASN A1027 -12.136 -8.378 32.314 1.00 84.58 N
|
| 468 |
+
ATOM 468 OD1 ASN A1027 -10.048 -8.150 31.738 1.00 84.58 O
|
| 469 |
+
ATOM 469 N PHE A1028 -8.101 -5.866 30.968 1.00 86.68 N
|
| 470 |
+
ATOM 470 CA PHE A1028 -7.662 -5.700 29.582 1.00 86.68 C
|
| 471 |
+
ATOM 471 C PHE A1028 -8.526 -6.487 28.581 1.00 86.68 C
|
| 472 |
+
ATOM 472 CB PHE A1028 -6.167 -6.031 29.455 1.00 86.68 C
|
| 473 |
+
ATOM 473 O PHE A1028 -8.692 -6.020 27.457 1.00 86.68 O
|
| 474 |
+
ATOM 474 CG PHE A1028 -5.800 -7.485 29.688 1.00 86.68 C
|
| 475 |
+
ATOM 475 CD1 PHE A1028 -5.347 -7.910 30.953 1.00 86.68 C
|
| 476 |
+
ATOM 476 CD2 PHE A1028 -5.905 -8.416 28.635 1.00 86.68 C
|
| 477 |
+
ATOM 477 CE1 PHE A1028 -5.018 -9.261 31.165 1.00 86.68 C
|
| 478 |
+
ATOM 478 CE2 PHE A1028 -5.573 -9.766 28.849 1.00 86.68 C
|
| 479 |
+
ATOM 479 CZ PHE A1028 -5.137 -10.187 30.117 1.00 86.68 C
|
| 480 |
+
ATOM 480 N ARG A1029 -9.145 -7.617 28.973 1.00 83.02 N
|
| 481 |
+
ATOM 481 CA ARG A1029 -9.979 -8.447 28.072 1.00 83.02 C
|
| 482 |
+
ATOM 482 C ARG A1029 -11.281 -7.764 27.634 1.00 83.02 C
|
| 483 |
+
ATOM 483 CB ARG A1029 -10.280 -9.820 28.709 1.00 83.02 C
|
| 484 |
+
ATOM 484 O ARG A1029 -11.840 -8.122 26.601 1.00 83.02 O
|
| 485 |
+
ATOM 485 CG ARG A1029 -9.053 -10.747 28.798 1.00 83.02 C
|
| 486 |
+
ATOM 486 CD ARG A1029 -9.441 -12.141 29.328 1.00 83.02 C
|
| 487 |
+
ATOM 487 NE ARG A1029 -8.347 -13.133 29.182 1.00 83.02 N
|
| 488 |
+
ATOM 488 NH1 ARG A1029 -9.039 -14.149 27.234 1.00 83.02 N
|
| 489 |
+
ATOM 489 NH2 ARG A1029 -7.192 -14.864 28.202 1.00 83.02 N
|
| 490 |
+
ATOM 490 CZ ARG A1029 -8.199 -14.040 28.222 1.00 83.02 C
|
| 491 |
+
ATOM 491 N GLU A1030 -11.757 -6.782 28.396 1.00 82.68 N
|
| 492 |
+
ATOM 492 CA GLU A1030 -12.948 -5.984 28.067 1.00 82.68 C
|
| 493 |
+
ATOM 493 C GLU A1030 -12.618 -4.677 27.326 1.00 82.68 C
|
| 494 |
+
ATOM 494 CB GLU A1030 -13.722 -5.688 29.359 1.00 82.68 C
|
| 495 |
+
ATOM 495 O GLU A1030 -13.519 -4.028 26.791 1.00 82.68 O
|
| 496 |
+
ATOM 496 CG GLU A1030 -14.451 -6.933 29.886 1.00 82.68 C
|
| 497 |
+
ATOM 497 CD GLU A1030 -14.997 -6.690 31.297 1.00 82.68 C
|
| 498 |
+
ATOM 498 OE1 GLU A1030 -14.717 -7.541 32.170 1.00 82.68 O
|
| 499 |
+
ATOM 499 OE2 GLU A1030 -15.630 -5.633 31.502 1.00 82.68 O
|
| 500 |
+
ATOM 500 N SER A1031 -11.344 -4.281 27.273 1.00 86.49 N
|
| 501 |
+
ATOM 501 CA SER A1031 -10.928 -2.934 26.865 1.00 86.49 C
|
| 502 |
+
ATOM 502 C SER A1031 -10.881 -2.723 25.349 1.00 86.49 C
|
| 503 |
+
ATOM 503 CB SER A1031 -9.583 -2.584 27.495 1.00 86.49 C
|
| 504 |
+
ATOM 504 O SER A1031 -10.541 -3.621 24.582 1.00 86.49 O
|
| 505 |
+
ATOM 505 OG SER A1031 -9.738 -2.520 28.898 1.00 86.49 O
|
| 506 |
+
ATOM 506 N ASP A1032 -11.185 -1.504 24.899 1.00 87.94 N
|
| 507 |
+
ATOM 507 CA ASP A1032 -11.119 -1.118 23.481 1.00 87.94 C
|
| 508 |
+
ATOM 508 C ASP A1032 -9.683 -0.797 23.033 1.00 87.94 C
|
| 509 |
+
ATOM 509 CB ASP A1032 -12.016 0.100 23.230 1.00 87.94 C
|
| 510 |
+
ATOM 510 O ASP A1032 -9.312 -1.054 21.884 1.00 87.94 O
|
| 511 |
+
ATOM 511 CG ASP A1032 -13.455 -0.115 23.686 1.00 87.94 C
|
| 512 |
+
ATOM 512 OD1 ASP A1032 -14.107 -1.054 23.183 1.00 87.94 O
|
| 513 |
+
ATOM 513 OD2 ASP A1032 -13.891 0.617 24.601 1.00 87.94 O
|
| 514 |
+
ATOM 514 N ILE A1033 -8.865 -0.247 23.939 1.00 90.54 N
|
| 515 |
+
ATOM 515 CA ILE A1033 -7.431 0.006 23.751 1.00 90.54 C
|
| 516 |
+
ATOM 516 C ILE A1033 -6.648 -0.625 24.908 1.00 90.54 C
|
| 517 |
+
ATOM 517 CB ILE A1033 -7.127 1.518 23.600 1.00 90.54 C
|
| 518 |
+
ATOM 518 O ILE A1033 -7.009 -0.477 26.075 1.00 90.54 O
|
| 519 |
+
ATOM 519 CG1 ILE A1033 -7.930 2.128 22.425 1.00 90.54 C
|
| 520 |
+
ATOM 520 CG2 ILE A1033 -5.614 1.757 23.403 1.00 90.54 C
|
| 521 |
+
ATOM 521 CD1 ILE A1033 -7.687 3.624 22.183 1.00 90.54 C
|
| 522 |
+
ATOM 522 N ILE A1034 -5.551 -1.304 24.573 1.00 92.36 N
|
| 523 |
+
ATOM 523 CA ILE A1034 -4.642 -1.957 25.519 1.00 92.36 C
|
| 524 |
+
ATOM 524 C ILE A1034 -3.250 -1.358 25.316 1.00 92.36 C
|
| 525 |
+
ATOM 525 CB ILE A1034 -4.668 -3.491 25.321 1.00 92.36 C
|
| 526 |
+
ATOM 526 O ILE A1034 -2.669 -1.490 24.237 1.00 92.36 O
|
| 527 |
+
ATOM 527 CG1 ILE A1034 -6.098 -4.042 25.533 1.00 92.36 C
|
| 528 |
+
ATOM 528 CG2 ILE A1034 -3.687 -4.172 26.291 1.00 92.36 C
|
| 529 |
+
ATOM 529 CD1 ILE A1034 -6.250 -5.523 25.180 1.00 92.36 C
|
| 530 |
+
ATOM 530 N ILE A1035 -2.733 -0.676 26.338 1.00 93.03 N
|
| 531 |
+
ATOM 531 CA ILE A1035 -1.436 0.008 26.318 1.00 93.03 C
|
| 532 |
+
ATOM 532 C ILE A1035 -0.377 -0.899 26.956 1.00 93.03 C
|
| 533 |
+
ATOM 533 CB ILE A1035 -1.528 1.403 26.980 1.00 93.03 C
|
| 534 |
+
ATOM 534 O ILE A1035 -0.514 -1.315 28.108 1.00 93.03 O
|
| 535 |
+
ATOM 535 CG1 ILE A1035 -2.532 2.302 26.216 1.00 93.03 C
|
| 536 |
+
ATOM 536 CG2 ILE A1035 -0.139 2.070 27.015 1.00 93.03 C
|
| 537 |
+
ATOM 537 CD1 ILE A1035 -2.880 3.617 26.924 1.00 93.03 C
|
| 538 |
+
ATOM 538 N LEU A1036 0.678 -1.191 26.194 1.00 91.96 N
|
| 539 |
+
ATOM 539 CA LEU A1036 1.777 -2.090 26.555 1.00 91.96 C
|
| 540 |
+
ATOM 540 C LEU A1036 3.029 -1.311 26.985 1.00 91.96 C
|
| 541 |
+
ATOM 541 CB LEU A1036 2.097 -3.007 25.358 1.00 91.96 C
|
| 542 |
+
ATOM 542 O LEU A1036 3.284 -0.212 26.489 1.00 91.96 O
|
| 543 |
+
ATOM 543 CG LEU A1036 0.912 -3.795 24.772 1.00 91.96 C
|
| 544 |
+
ATOM 544 CD1 LEU A1036 1.402 -4.690 23.631 1.00 91.96 C
|
| 545 |
+
ATOM 545 CD2 LEU A1036 0.256 -4.679 25.825 1.00 91.96 C
|
| 546 |
+
ATOM 546 N LYS A1037 3.855 -1.906 27.855 1.00 89.12 N
|
| 547 |
+
ATOM 547 CA LYS A1037 5.153 -1.350 28.294 1.00 89.12 C
|
| 548 |
+
ATOM 548 C LYS A1037 6.286 -1.549 27.267 1.00 89.12 C
|
| 549 |
+
ATOM 549 CB LYS A1037 5.512 -1.892 29.698 1.00 89.12 C
|
| 550 |
+
ATOM 550 O LYS A1037 7.340 -0.943 27.421 1.00 89.12 O
|
| 551 |
+
ATOM 551 CG LYS A1037 4.548 -1.362 30.779 1.00 89.12 C
|
| 552 |
+
ATOM 552 CD LYS A1037 4.894 -1.814 32.207 1.00 89.12 C
|
| 553 |
+
ATOM 553 CE LYS A1037 3.825 -1.303 33.186 1.00 89.12 C
|
| 554 |
+
ATOM 554 NZ LYS A1037 4.059 -1.763 34.578 1.00 89.12 N
|
| 555 |
+
ATOM 555 N GLY A1038 6.055 -2.331 26.208 1.00 85.97 N
|
| 556 |
+
ATOM 556 CA GLY A1038 6.953 -2.541 25.059 1.00 85.97 C
|
| 557 |
+
ATOM 557 C GLY A1038 6.178 -2.833 23.766 1.00 85.97 C
|
| 558 |
+
ATOM 558 O GLY A1038 4.987 -2.519 23.689 1.00 85.97 O
|
| 559 |
+
ATOM 559 N GLU A1039 6.825 -3.438 22.767 1.00 87.20 N
|
| 560 |
+
ATOM 560 CA GLU A1039 6.140 -4.016 21.597 1.00 87.20 C
|
| 561 |
+
ATOM 561 C GLU A1039 5.666 -5.452 21.902 1.00 87.20 C
|
| 562 |
+
ATOM 562 CB GLU A1039 7.031 -3.955 20.341 1.00 87.20 C
|
| 563 |
+
ATOM 563 O GLU A1039 6.185 -6.121 22.800 1.00 87.20 O
|
| 564 |
+
ATOM 564 CG GLU A1039 7.434 -2.529 19.903 1.00 87.20 C
|
| 565 |
+
ATOM 565 CD GLU A1039 6.256 -1.600 19.553 1.00 87.20 C
|
| 566 |
+
ATOM 566 OE1 GLU A1039 6.424 -0.355 19.638 1.00 87.20 O
|
| 567 |
+
ATOM 567 OE2 GLU A1039 5.139 -2.081 19.251 1.00 87.20 O
|
| 568 |
+
ATOM 568 N ILE A1040 4.642 -5.943 21.193 1.00 84.90 N
|
| 569 |
+
ATOM 569 CA ILE A1040 3.998 -7.235 21.513 1.00 84.90 C
|
| 570 |
+
ATOM 570 C ILE A1040 4.926 -8.434 21.251 1.00 84.90 C
|
| 571 |
+
ATOM 571 CB ILE A1040 2.631 -7.356 20.796 1.00 84.90 C
|
| 572 |
+
ATOM 572 O ILE A1040 4.812 -9.480 21.895 1.00 84.90 O
|
| 573 |
+
ATOM 573 CG1 ILE A1040 1.807 -8.597 21.210 1.00 84.90 C
|
| 574 |
+
ATOM 574 CG2 ILE A1040 2.761 -7.358 19.263 1.00 84.90 C
|
| 575 |
+
ATOM 575 CD1 ILE A1040 1.469 -8.667 22.704 1.00 84.90 C
|
| 576 |
+
ATOM 576 N GLU A1041 5.889 -8.279 20.348 1.00 83.94 N
|
| 577 |
+
ATOM 577 CA GLU A1041 6.944 -9.230 20.005 1.00 83.94 C
|
| 578 |
+
ATOM 578 C GLU A1041 7.818 -9.609 21.212 1.00 83.94 C
|
| 579 |
+
ATOM 579 CB GLU A1041 7.825 -8.617 18.900 1.00 83.94 C
|
| 580 |
+
ATOM 580 O GLU A1041 8.209 -10.778 21.328 1.00 83.94 O
|
| 581 |
+
ATOM 581 CG GLU A1041 7.188 -8.634 17.498 1.00 83.94 C
|
| 582 |
+
ATOM 582 CD GLU A1041 5.927 -7.766 17.334 1.00 83.94 C
|
| 583 |
+
ATOM 583 OE1 GLU A1041 5.092 -8.153 16.486 1.00 83.94 O
|
| 584 |
+
ATOM 584 OE2 GLU A1041 5.775 -6.765 18.070 1.00 83.94 O
|
| 585 |
+
ATOM 585 N ASP A1042 8.050 -8.680 22.135 1.00 85.30 N
|
| 586 |
+
ATOM 586 CA ASP A1042 9.078 -8.793 23.182 1.00 85.30 C
|
| 587 |
+
ATOM 587 C ASP A1042 8.549 -9.434 24.475 1.00 85.30 C
|
| 588 |
+
ATOM 588 CB ASP A1042 9.667 -7.402 23.449 1.00 85.30 C
|
| 589 |
+
ATOM 589 O ASP A1042 9.313 -9.856 25.337 1.00 85.30 O
|
| 590 |
+
ATOM 590 CG ASP A1042 10.101 -6.668 22.178 1.00 85.30 C
|
| 591 |
+
ATOM 591 OD1 ASP A1042 10.539 -7.356 21.224 1.00 85.30 O
|
| 592 |
+
ATOM 592 OD2 ASP A1042 9.909 -5.431 22.162 1.00 85.30 O
|
| 593 |
+
ATOM 593 N TYR A1043 7.227 -9.557 24.610 1.00 86.54 N
|
| 594 |
+
ATOM 594 CA TYR A1043 6.597 -10.295 25.705 1.00 86.54 C
|
| 595 |
+
ATOM 595 C TYR A1043 6.864 -11.813 25.596 1.00 86.54 C
|
| 596 |
+
ATOM 596 CB TYR A1043 5.099 -9.963 25.749 1.00 86.54 C
|
| 597 |
+
ATOM 597 O TYR A1043 6.893 -12.352 24.479 1.00 86.54 O
|
| 598 |
+
ATOM 598 CG TYR A1043 4.827 -8.596 26.347 1.00 86.54 C
|
| 599 |
+
ATOM 599 CD1 TYR A1043 4.533 -8.489 27.716 1.00 86.54 C
|
| 600 |
+
ATOM 600 CD2 TYR A1043 4.925 -7.430 25.563 1.00 86.54 C
|
| 601 |
+
ATOM 601 CE1 TYR A1043 4.359 -7.224 28.296 1.00 86.54 C
|
| 602 |
+
ATOM 602 CE2 TYR A1043 4.739 -6.158 26.143 1.00 86.54 C
|
| 603 |
+
ATOM 603 OH TYR A1043 4.285 -4.846 28.126 1.00 86.54 O
|
| 604 |
+
ATOM 604 CZ TYR A1043 4.456 -6.053 27.522 1.00 86.54 C
|
| 605 |
+
ATOM 605 N PRO A1044 7.020 -12.543 26.717 1.00 83.50 N
|
| 606 |
+
ATOM 606 CA PRO A1044 7.203 -13.995 26.698 1.00 83.50 C
|
| 607 |
+
ATOM 607 C PRO A1044 5.940 -14.709 26.191 1.00 83.50 C
|
| 608 |
+
ATOM 608 CB PRO A1044 7.552 -14.377 28.140 1.00 83.50 C
|
| 609 |
+
ATOM 609 O PRO A1044 4.826 -14.225 26.363 1.00 83.50 O
|
| 610 |
+
ATOM 610 CG PRO A1044 6.860 -13.295 28.970 1.00 83.50 C
|
| 611 |
+
ATOM 611 CD PRO A1044 6.986 -12.053 28.089 1.00 83.50 C
|
| 612 |
+
ATOM 612 N MET A1045 6.079 -15.892 25.585 1.00 80.87 N
|
| 613 |
+
ATOM 613 CA MET A1045 4.923 -16.643 25.048 1.00 80.87 C
|
| 614 |
+
ATOM 614 C MET A1045 3.923 -17.104 26.127 1.00 80.87 C
|
| 615 |
+
ATOM 615 CB MET A1045 5.408 -17.850 24.228 1.00 80.87 C
|
| 616 |
+
ATOM 616 O MET A1045 2.799 -17.461 25.791 1.00 80.87 O
|
| 617 |
+
ATOM 617 CG MET A1045 6.116 -17.449 22.926 1.00 80.87 C
|
| 618 |
+
ATOM 618 SD MET A1045 5.097 -16.605 21.676 1.00 80.87 S
|
| 619 |
+
ATOM 619 CE MET A1045 3.986 -17.955 21.180 1.00 80.87 C
|
| 620 |
+
ATOM 620 N SER A1046 4.328 -17.085 27.399 1.00 80.67 N
|
| 621 |
+
ATOM 621 CA SER A1046 3.512 -17.389 28.580 1.00 80.67 C
|
| 622 |
+
ATOM 622 C SER A1046 2.793 -16.176 29.191 1.00 80.67 C
|
| 623 |
+
ATOM 623 CB SER A1046 4.414 -18.032 29.640 1.00 80.67 C
|
| 624 |
+
ATOM 624 O SER A1046 2.087 -16.351 30.178 1.00 80.67 O
|
| 625 |
+
ATOM 625 OG SER A1046 5.553 -17.216 29.875 1.00 80.67 O
|
| 626 |
+
ATOM 626 N SER A1047 2.978 -14.962 28.655 1.00 85.31 N
|
| 627 |
+
ATOM 627 CA SER A1047 2.296 -13.750 29.139 1.00 85.31 C
|
| 628 |
+
ATOM 628 C SER A1047 0.806 -13.773 28.782 1.00 85.31 C
|
| 629 |
+
ATOM 629 CB SER A1047 3.021 -12.493 28.627 1.00 85.31 C
|
| 630 |
+
ATOM 630 O SER A1047 0.427 -14.214 27.689 1.00 85.31 O
|
| 631 |
+
ATOM 631 OG SER A1047 2.174 -11.537 28.026 1.00 85.31 O
|
| 632 |
+
ATOM 632 N GLU A1048 -0.053 -13.268 29.674 1.00 85.36 N
|
| 633 |
+
ATOM 633 CA GLU A1048 -1.504 -13.280 29.446 1.00 85.36 C
|
| 634 |
+
ATOM 634 C GLU A1048 -1.888 -12.405 28.249 1.00 85.36 C
|
| 635 |
+
ATOM 635 CB GLU A1048 -2.271 -12.789 30.677 1.00 85.36 C
|
| 636 |
+
ATOM 636 O GLU A1048 -2.768 -12.762 27.461 1.00 85.36 O
|
| 637 |
+
ATOM 637 CG GLU A1048 -2.117 -13.677 31.920 1.00 85.36 C
|
| 638 |
+
ATOM 638 CD GLU A1048 -3.110 -13.302 33.038 1.00 85.36 C
|
| 639 |
+
ATOM 639 OE1 GLU A1048 -3.006 -13.918 34.121 1.00 85.36 O
|
| 640 |
+
ATOM 640 OE2 GLU A1048 -4.005 -12.456 32.789 1.00 85.36 O
|
| 641 |
+
ATOM 641 N ILE A1049 -1.166 -11.294 28.060 1.00 88.10 N
|
| 642 |
+
ATOM 642 CA ILE A1049 -1.297 -10.404 26.902 1.00 88.10 C
|
| 643 |
+
ATOM 643 C ILE A1049 -1.012 -11.171 25.611 1.00 88.10 C
|
| 644 |
+
ATOM 644 CB ILE A1049 -0.316 -9.214 27.002 1.00 88.10 C
|
| 645 |
+
ATOM 645 O ILE A1049 -1.750 -11.032 24.635 1.00 88.10 O
|
| 646 |
+
ATOM 646 CG1 ILE A1049 -0.425 -8.480 28.353 1.00 88.10 C
|
| 647 |
+
ATOM 647 CG2 ILE A1049 -0.546 -8.218 25.848 1.00 88.10 C
|
| 648 |
+
ATOM 648 CD1 ILE A1049 0.628 -7.378 28.502 1.00 88.10 C
|
| 649 |
+
ATOM 649 N LYS A1050 0.050 -11.986 25.588 1.00 85.28 N
|
| 650 |
+
ATOM 650 CA LYS A1050 0.467 -12.715 24.384 1.00 85.28 C
|
| 651 |
+
ATOM 651 C LYS A1050 -0.506 -13.831 24.028 1.00 85.28 C
|
| 652 |
+
ATOM 652 CB LYS A1050 1.890 -13.245 24.586 1.00 85.28 C
|
| 653 |
+
ATOM 653 O LYS A1050 -0.822 -14.018 22.853 1.00 85.28 O
|
| 654 |
+
ATOM 654 CG LYS A1050 2.568 -13.524 23.230 1.00 85.28 C
|
| 655 |
+
ATOM 655 CD LYS A1050 3.962 -12.903 23.253 1.00 85.28 C
|
| 656 |
+
ATOM 656 CE LYS A1050 4.673 -12.937 21.906 1.00 85.28 C
|
| 657 |
+
ATOM 657 NZ LYS A1050 5.825 -12.019 21.984 1.00 85.28 N
|
| 658 |
+
ATOM 658 N ILE A1051 -1.027 -14.522 25.040 1.00 85.83 N
|
| 659 |
+
ATOM 659 CA ILE A1051 -2.106 -15.502 24.889 1.00 85.83 C
|
| 660 |
+
ATOM 660 C ILE A1051 -3.353 -14.807 24.320 1.00 85.83 C
|
| 661 |
+
ATOM 661 CB ILE A1051 -2.354 -16.221 26.236 1.00 85.83 C
|
| 662 |
+
ATOM 662 O ILE A1051 -3.857 -15.224 23.280 1.00 85.83 O
|
| 663 |
+
ATOM 663 CG1 ILE A1051 -1.111 -17.057 26.636 1.00 85.83 C
|
| 664 |
+
ATOM 664 CG2 ILE A1051 -3.592 -17.132 26.150 1.00 85.83 C
|
| 665 |
+
ATOM 665 CD1 ILE A1051 -1.117 -17.519 28.098 1.00 85.83 C
|
| 666 |
+
ATOM 666 N TYR A1052 -3.790 -13.691 24.911 1.00 87.32 N
|
| 667 |
+
ATOM 667 CA TYR A1052 -4.982 -12.957 24.470 1.00 87.32 C
|
| 668 |
+
ATOM 668 C TYR A1052 -4.840 -12.316 23.075 1.00 87.32 C
|
| 669 |
+
ATOM 669 CB TYR A1052 -5.328 -11.915 25.539 1.00 87.32 C
|
| 670 |
+
ATOM 670 O TYR A1052 -5.783 -12.333 22.284 1.00 87.32 O
|
| 671 |
+
ATOM 671 CG TYR A1052 -6.576 -11.108 25.240 1.00 87.32 C
|
| 672 |
+
ATOM 672 CD1 TYR A1052 -6.496 -9.707 25.131 1.00 87.32 C
|
| 673 |
+
ATOM 673 CD2 TYR A1052 -7.813 -11.760 25.058 1.00 87.32 C
|
| 674 |
+
ATOM 674 CE1 TYR A1052 -7.651 -8.963 24.832 1.00 87.32 C
|
| 675 |
+
ATOM 675 CE2 TYR A1052 -8.974 -11.014 24.776 1.00 87.32 C
|
| 676 |
+
ATOM 676 OH TYR A1052 -9.985 -8.860 24.379 1.00 87.32 O
|
| 677 |
+
ATOM 677 CZ TYR A1052 -8.889 -9.610 24.656 1.00 87.32 C
|
| 678 |
+
ATOM 678 N TYR A1053 -3.652 -11.820 22.715 1.00 87.58 N
|
| 679 |
+
ATOM 679 CA TYR A1053 -3.351 -11.355 21.357 1.00 87.58 C
|
| 680 |
+
ATOM 680 C TYR A1053 -3.538 -12.483 20.329 1.00 87.58 C
|
| 681 |
+
ATOM 681 CB TYR A1053 -1.920 -10.799 21.323 1.00 87.58 C
|
| 682 |
+
ATOM 682 O TYR A1053 -4.194 -12.294 19.303 1.00 87.58 O
|
| 683 |
+
ATOM 683 CG TYR A1053 -1.506 -10.246 19.973 1.00 87.58 C
|
| 684 |
+
ATOM 684 CD1 TYR A1053 -0.927 -11.092 19.006 1.00 87.58 C
|
| 685 |
+
ATOM 685 CD2 TYR A1053 -1.708 -8.883 19.686 1.00 87.58 C
|
| 686 |
+
ATOM 686 CE1 TYR A1053 -0.565 -10.576 17.747 1.00 87.58 C
|
| 687 |
+
ATOM 687 CE2 TYR A1053 -1.331 -8.358 18.435 1.00 87.58 C
|
| 688 |
+
ATOM 688 OH TYR A1053 -0.427 -8.725 16.241 1.00 87.58 O
|
| 689 |
+
ATOM 689 CZ TYR A1053 -0.762 -9.210 17.464 1.00 87.58 C
|
| 690 |
+
ATOM 690 N ASN A1054 -3.033 -13.683 20.635 1.00 85.93 N
|
| 691 |
+
ATOM 691 CA ASN A1054 -3.209 -14.863 19.789 1.00 85.93 C
|
| 692 |
+
ATOM 692 C ASN A1054 -4.671 -15.358 19.772 1.00 85.93 C
|
| 693 |
+
ATOM 693 CB ASN A1054 -2.230 -15.956 20.256 1.00 85.93 C
|
| 694 |
+
ATOM 694 O ASN A1054 -5.151 -15.791 18.726 1.00 85.93 O
|
| 695 |
+
ATOM 695 CG ASN A1054 -0.766 -15.602 20.042 1.00 85.93 C
|
| 696 |
+
ATOM 696 ND2 ASN A1054 0.119 -16.139 20.848 1.00 85.93 N
|
| 697 |
+
ATOM 697 OD1 ASN A1054 -0.382 -14.874 19.141 1.00 85.93 O
|
| 698 |
+
ATOM 698 N GLU A1055 -5.414 -15.267 20.883 1.00 84.57 N
|
| 699 |
+
ATOM 699 CA GLU A1055 -6.861 -15.554 20.912 1.00 84.57 C
|
| 700 |
+
ATOM 700 C GLU A1055 -7.644 -14.641 19.952 1.00 84.57 C
|
| 701 |
+
ATOM 701 CB GLU A1055 -7.452 -15.377 22.325 1.00 84.57 C
|
| 702 |
+
ATOM 702 O GLU A1055 -8.538 -15.120 19.252 1.00 84.57 O
|
| 703 |
+
ATOM 703 CG GLU A1055 -7.108 -16.453 23.371 1.00 84.57 C
|
| 704 |
+
ATOM 704 CD GLU A1055 -7.689 -16.084 24.754 1.00 84.57 C
|
| 705 |
+
ATOM 705 OE1 GLU A1055 -7.067 -16.358 25.803 1.00 84.57 O
|
| 706 |
+
ATOM 706 OE2 GLU A1055 -8.788 -15.486 24.812 1.00 84.57 O
|
| 707 |
+
ATOM 707 N LEU A1056 -7.307 -13.345 19.899 1.00 83.18 N
|
| 708 |
+
ATOM 708 CA LEU A1056 -7.974 -12.357 19.042 1.00 83.18 C
|
| 709 |
+
ATOM 709 C LEU A1056 -7.627 -12.515 17.556 1.00 83.18 C
|
| 710 |
+
ATOM 710 CB LEU A1056 -7.630 -10.938 19.531 1.00 83.18 C
|
| 711 |
+
ATOM 711 O LEU A1056 -8.517 -12.397 16.717 1.00 83.18 O
|
| 712 |
+
ATOM 712 CG LEU A1056 -8.357 -10.502 20.816 1.00 83.18 C
|
| 713 |
+
ATOM 713 CD1 LEU A1056 -7.804 -9.147 21.250 1.00 83.18 C
|
| 714 |
+
ATOM 714 CD2 LEU A1056 -9.866 -10.349 20.608 1.00 83.18 C
|
| 715 |
+
ATOM 715 N GLN A1057 -6.372 -12.827 17.213 1.00 79.74 N
|
| 716 |
+
ATOM 716 CA GLN A1057 -5.981 -13.099 15.818 1.00 79.74 C
|
| 717 |
+
ATOM 717 C GLN A1057 -6.711 -14.325 15.234 1.00 79.74 C
|
| 718 |
+
ATOM 718 CB GLN A1057 -4.457 -13.298 15.731 1.00 79.74 C
|
| 719 |
+
ATOM 719 O GLN A1057 -6.983 -14.373 14.037 1.00 79.74 O
|
| 720 |
+
ATOM 720 CG GLN A1057 -3.632 -12.021 15.974 1.00 79.74 C
|
| 721 |
+
ATOM 721 CD GLN A1057 -3.696 -10.986 14.851 1.00 79.74 C
|
| 722 |
+
ATOM 722 NE2 GLN A1057 -2.914 -9.933 14.925 1.00 79.74 N
|
| 723 |
+
ATOM 723 OE1 GLN A1057 -4.426 -11.078 13.879 1.00 79.74 O
|
| 724 |
+
ATOM 724 N ASN A1058 -7.071 -15.296 16.081 1.00 75.56 N
|
| 725 |
+
ATOM 725 CA ASN A1058 -7.731 -16.541 15.677 1.00 75.56 C
|
| 726 |
+
ATOM 726 C ASN A1058 -9.276 -16.485 15.688 1.00 75.56 C
|
| 727 |
+
ATOM 727 CB ASN A1058 -7.183 -17.673 16.564 1.00 75.56 C
|
| 728 |
+
ATOM 728 O ASN A1058 -9.914 -17.489 15.368 1.00 75.56 O
|
| 729 |
+
ATOM 729 CG ASN A1058 -5.736 -18.020 16.256 1.00 75.56 C
|
| 730 |
+
ATOM 730 ND2 ASN A1058 -4.907 -18.191 17.255 1.00 75.56 N
|
| 731 |
+
ATOM 731 OD1 ASN A1058 -5.320 -18.160 15.122 1.00 75.56 O
|
| 732 |
+
ATOM 732 N LYS A1059 -9.903 -15.358 16.066 1.00 73.95 N
|
| 733 |
+
ATOM 733 CA LYS A1059 -11.370 -15.233 16.204 1.00 73.95 C
|
| 734 |
+
ATOM 734 C LYS A1059 -11.905 -13.998 15.455 1.00 73.95 C
|
| 735 |
+
ATOM 735 CB LYS A1059 -11.747 -15.185 17.695 1.00 73.95 C
|
| 736 |
+
ATOM 736 O LYS A1059 -11.879 -12.903 16.017 1.00 73.95 O
|
| 737 |
+
ATOM 737 CG LYS A1059 -11.566 -16.539 18.399 1.00 73.95 C
|
| 738 |
+
ATOM 738 CD LYS A1059 -11.903 -16.414 19.891 1.00 73.95 C
|
| 739 |
+
ATOM 739 CE LYS A1059 -11.722 -17.766 20.590 1.00 73.95 C
|
| 740 |
+
ATOM 740 NZ LYS A1059 -11.876 -17.643 22.064 1.00 73.95 N
|
| 741 |
+
ATOM 741 N PRO A1060 -12.437 -14.138 14.222 1.00 60.91 N
|
| 742 |
+
ATOM 742 CA PRO A1060 -12.859 -12.990 13.409 1.00 60.91 C
|
| 743 |
+
ATOM 743 C PRO A1060 -14.011 -12.178 14.028 1.00 60.91 C
|
| 744 |
+
ATOM 744 CB PRO A1060 -13.246 -13.579 12.046 1.00 60.91 C
|
| 745 |
+
ATOM 745 O PRO A1060 -14.076 -10.964 13.813 1.00 60.91 O
|
| 746 |
+
ATOM 746 CG PRO A1060 -13.624 -15.026 12.361 1.00 60.91 C
|
| 747 |
+
ATOM 747 CD PRO A1060 -12.675 -15.384 13.502 1.00 60.91 C
|
| 748 |
+
ATOM 748 N ASP A1061 -14.864 -12.836 14.820 1.00 61.24 N
|
| 749 |
+
ATOM 749 CA ASP A1061 -16.070 -12.269 15.443 1.00 61.24 C
|
| 750 |
+
ATOM 750 C ASP A1061 -15.831 -11.676 16.847 1.00 61.24 C
|
| 751 |
+
ATOM 751 CB ASP A1061 -17.159 -13.354 15.489 1.00 61.24 C
|
| 752 |
+
ATOM 752 O ASP A1061 -16.758 -11.171 17.482 1.00 61.24 O
|
| 753 |
+
ATOM 753 CG ASP A1061 -17.344 -14.030 14.129 1.00 61.24 C
|
| 754 |
+
ATOM 754 OD1 ASP A1061 -17.650 -13.306 13.157 1.00 61.24 O
|
| 755 |
+
ATOM 755 OD2 ASP A1061 -17.081 -15.251 14.068 1.00 61.24 O
|
| 756 |
+
ATOM 756 N ALA A1062 -14.600 -11.736 17.368 1.00 64.26 N
|
| 757 |
+
ATOM 757 CA ALA A1062 -14.279 -11.206 18.692 1.00 64.26 C
|
| 758 |
+
ATOM 758 C ALA A1062 -14.235 -9.664 18.718 1.00 64.26 C
|
| 759 |
+
ATOM 759 CB ALA A1062 -12.969 -11.834 19.180 1.00 64.26 C
|
| 760 |
+
ATOM 760 O ALA A1062 -13.921 -9.005 17.722 1.00 64.26 O
|
| 761 |
+
ATOM 761 N LYS A1063 -14.495 -9.070 19.895 1.00 67.14 N
|
| 762 |
+
ATOM 762 CA LYS A1063 -14.360 -7.622 20.123 1.00 67.14 C
|
| 763 |
+
ATOM 763 C LYS A1063 -12.926 -7.182 19.790 1.00 67.14 C
|
| 764 |
+
ATOM 764 CB LYS A1063 -14.746 -7.271 21.577 1.00 67.14 C
|
| 765 |
+
ATOM 765 O LYS A1063 -11.980 -7.581 20.464 1.00 67.14 O
|
| 766 |
+
ATOM 766 CG LYS A1063 -14.746 -5.748 21.804 1.00 67.14 C
|
| 767 |
+
ATOM 767 CD LYS A1063 -14.996 -5.327 23.263 1.00 67.14 C
|
| 768 |
+
ATOM 768 CE LYS A1063 -14.899 -3.797 23.290 1.00 67.14 C
|
| 769 |
+
ATOM 769 NZ LYS A1063 -14.977 -3.182 24.636 1.00 67.14 N
|
| 770 |
+
ATOM 770 N LYS A1064 -12.761 -6.350 18.755 1.00 70.24 N
|
| 771 |
+
ATOM 771 CA LYS A1064 -11.448 -5.948 18.213 1.00 70.24 C
|
| 772 |
+
ATOM 772 C LYS A1064 -10.737 -4.905 19.086 1.00 70.24 C
|
| 773 |
+
ATOM 773 CB LYS A1064 -11.577 -5.519 16.736 1.00 70.24 C
|
| 774 |
+
ATOM 774 O LYS A1064 -10.665 -3.729 18.721 1.00 70.24 O
|
| 775 |
+
ATOM 775 CG LYS A1064 -11.988 -6.709 15.856 1.00 70.24 C
|
| 776 |
+
ATOM 776 CD LYS A1064 -11.978 -6.401 14.352 1.00 70.24 C
|
| 777 |
+
ATOM 777 CE LYS A1064 -12.361 -7.706 13.636 1.00 70.24 C
|
| 778 |
+
ATOM 778 NZ LYS A1064 -12.414 -7.575 12.160 1.00 70.24 N
|
| 779 |
+
ATOM 779 N ALA A1065 -10.203 -5.353 20.222 1.00 83.10 N
|
| 780 |
+
ATOM 780 CA ALA A1065 -9.310 -4.574 21.076 1.00 83.10 C
|
| 781 |
+
ATOM 781 C ALA A1065 -8.050 -4.125 20.309 1.00 83.10 C
|
| 782 |
+
ATOM 782 CB ALA A1065 -8.948 -5.410 22.310 1.00 83.10 C
|
| 783 |
+
ATOM 783 O ALA A1065 -7.504 -4.859 19.480 1.00 83.10 O
|
| 784 |
+
ATOM 784 N ARG A1066 -7.580 -2.901 20.569 1.00 87.96 N
|
| 785 |
+
ATOM 785 CA ARG A1066 -6.443 -2.282 19.870 1.00 87.96 C
|
| 786 |
+
ATOM 786 C ARG A1066 -5.207 -2.236 20.765 1.00 87.96 C
|
| 787 |
+
ATOM 787 CB ARG A1066 -6.830 -0.871 19.400 1.00 87.96 C
|
| 788 |
+
ATOM 788 O ARG A1066 -5.141 -1.427 21.685 1.00 87.96 O
|
| 789 |
+
ATOM 789 CG ARG A1066 -7.976 -0.863 18.378 1.00 87.96 C
|
| 790 |
+
ATOM 790 CD ARG A1066 -8.307 0.584 17.991 1.00 87.96 C
|
| 791 |
+
ATOM 791 NE ARG A1066 -9.354 0.642 16.954 1.00 87.96 N
|
| 792 |
+
ATOM 792 NH1 ARG A1066 -9.323 2.913 16.600 1.00 87.96 N
|
| 793 |
+
ATOM 793 NH2 ARG A1066 -10.717 1.635 15.422 1.00 87.96 N
|
| 794 |
+
ATOM 794 CZ ARG A1066 -9.789 1.724 16.332 1.00 87.96 C
|
| 795 |
+
ATOM 795 N PHE A1067 -4.194 -3.030 20.437 1.00 90.96 N
|
| 796 |
+
ATOM 796 CA PHE A1067 -2.901 -3.001 21.125 1.00 90.96 C
|
| 797 |
+
ATOM 797 C PHE A1067 -2.058 -1.796 20.675 1.00 90.96 C
|
| 798 |
+
ATOM 798 CB PHE A1067 -2.169 -4.334 20.922 1.00 90.96 C
|
| 799 |
+
ATOM 799 O PHE A1067 -1.839 -1.571 19.475 1.00 90.96 O
|
| 800 |
+
ATOM 800 CG PHE A1067 -2.927 -5.527 21.476 1.00 90.96 C
|
| 801 |
+
ATOM 801 CD1 PHE A1067 -2.667 -5.991 22.781 1.00 90.96 C
|
| 802 |
+
ATOM 802 CD2 PHE A1067 -3.908 -6.168 20.694 1.00 90.96 C
|
| 803 |
+
ATOM 803 CE1 PHE A1067 -3.372 -7.096 23.291 1.00 90.96 C
|
| 804 |
+
ATOM 804 CE2 PHE A1067 -4.621 -7.262 21.210 1.00 90.96 C
|
| 805 |
+
ATOM 805 CZ PHE A1067 -4.350 -7.732 22.506 1.00 90.96 C
|
| 806 |
+
ATOM 806 N TRP A1068 -1.611 -0.991 21.637 1.00 93.15 N
|
| 807 |
+
ATOM 807 CA TRP A1068 -0.738 0.166 21.448 1.00 93.15 C
|
| 808 |
+
ATOM 808 C TRP A1068 0.516 -0.002 22.310 1.00 93.15 C
|
| 809 |
+
ATOM 809 CB TRP A1068 -1.464 1.470 21.839 1.00 93.15 C
|
| 810 |
+
ATOM 810 O TRP A1068 0.414 -0.171 23.520 1.00 93.15 O
|
| 811 |
+
ATOM 811 CG TRP A1068 -2.530 2.043 20.940 1.00 93.15 C
|
| 812 |
+
ATOM 812 CD1 TRP A1068 -3.236 1.403 19.979 1.00 93.15 C
|
| 813 |
+
ATOM 813 CD2 TRP A1068 -3.094 3.392 20.993 1.00 93.15 C
|
| 814 |
+
ATOM 814 CE2 TRP A1068 -4.108 3.507 19.995 1.00 93.15 C
|
| 815 |
+
ATOM 815 CE3 TRP A1068 -2.871 4.523 21.808 1.00 93.15 C
|
| 816 |
+
ATOM 816 NE1 TRP A1068 -4.146 2.265 19.402 1.00 93.15 N
|
| 817 |
+
ATOM 817 CH2 TRP A1068 -4.589 5.795 20.615 1.00 93.15 C
|
| 818 |
+
ATOM 818 CZ2 TRP A1068 -4.845 4.684 19.794 1.00 93.15 C
|
| 819 |
+
ATOM 819 CZ3 TRP A1068 -3.608 5.709 21.620 1.00 93.15 C
|
| 820 |
+
ATOM 820 N SER A1069 1.704 0.093 21.716 1.00 91.80 N
|
| 821 |
+
ATOM 821 CA SER A1069 2.940 0.146 22.494 1.00 91.80 C
|
| 822 |
+
ATOM 822 C SER A1069 3.114 1.485 23.207 1.00 91.80 C
|
| 823 |
+
ATOM 823 CB SER A1069 4.138 -0.153 21.603 1.00 91.80 C
|
| 824 |
+
ATOM 824 O SER A1069 2.494 2.501 22.853 1.00 91.80 O
|
| 825 |
+
ATOM 825 OG SER A1069 4.346 0.860 20.634 1.00 91.80 O
|
| 826 |
+
ATOM 826 N PHE A1070 4.001 1.505 24.199 1.00 88.84 N
|
| 827 |
+
ATOM 827 CA PHE A1070 4.380 2.710 24.929 1.00 88.84 C
|
| 828 |
+
ATOM 828 C PHE A1070 4.804 3.848 23.979 1.00 88.84 C
|
| 829 |
+
ATOM 829 CB PHE A1070 5.501 2.340 25.911 1.00 88.84 C
|
| 830 |
+
ATOM 830 O PHE A1070 4.291 4.965 24.072 1.00 88.84 O
|
| 831 |
+
ATOM 831 CG PHE A1070 5.993 3.543 26.677 1.00 88.84 C
|
| 832 |
+
ATOM 832 CD1 PHE A1070 7.125 4.244 26.223 1.00 88.84 C
|
| 833 |
+
ATOM 833 CD2 PHE A1070 5.247 4.028 27.766 1.00 88.84 C
|
| 834 |
+
ATOM 834 CE1 PHE A1070 7.479 5.460 26.825 1.00 88.84 C
|
| 835 |
+
ATOM 835 CE2 PHE A1070 5.613 5.235 28.381 1.00 88.84 C
|
| 836 |
+
ATOM 836 CZ PHE A1070 6.711 5.960 27.889 1.00 88.84 C
|
| 837 |
+
ATOM 837 N MET A1071 5.659 3.549 22.992 1.00 86.50 N
|
| 838 |
+
ATOM 838 CA MET A1071 6.162 4.531 22.020 1.00 86.50 C
|
| 839 |
+
ATOM 839 C MET A1071 5.056 5.101 21.122 1.00 86.50 C
|
| 840 |
+
ATOM 840 CB MET A1071 7.261 3.883 21.161 1.00 86.50 C
|
| 841 |
+
ATOM 841 O MET A1071 4.984 6.316 20.911 1.00 86.50 O
|
| 842 |
+
ATOM 842 CG MET A1071 8.544 3.624 21.961 1.00 86.50 C
|
| 843 |
+
ATOM 843 SD MET A1071 9.312 5.102 22.692 1.00 86.50 S
|
| 844 |
+
ATOM 844 CE MET A1071 9.867 5.968 21.201 1.00 86.50 C
|
| 845 |
+
ATOM 845 N LYS A1072 4.151 4.246 20.632 1.00 91.51 N
|
| 846 |
+
ATOM 846 CA LYS A1072 2.975 4.658 19.850 1.00 91.51 C
|
| 847 |
+
ATOM 847 C LYS A1072 2.049 5.566 20.663 1.00 91.51 C
|
| 848 |
+
ATOM 848 CB LYS A1072 2.274 3.375 19.390 1.00 91.51 C
|
| 849 |
+
ATOM 849 O LYS A1072 1.568 6.580 20.155 1.00 91.51 O
|
| 850 |
+
ATOM 850 CG LYS A1072 1.047 3.602 18.496 1.00 91.51 C
|
| 851 |
+
ATOM 851 CD LYS A1072 0.562 2.222 18.039 1.00 91.51 C
|
| 852 |
+
ATOM 852 CE LYS A1072 -0.691 2.273 17.167 1.00 91.51 C
|
| 853 |
+
ATOM 853 NZ LYS A1072 -1.059 0.896 16.745 1.00 91.51 N
|
| 854 |
+
ATOM 854 N THR A1073 1.859 5.237 21.938 1.00 91.56 N
|
| 855 |
+
ATOM 855 CA THR A1073 1.046 6.016 22.878 1.00 91.56 C
|
| 856 |
+
ATOM 856 C THR A1073 1.678 7.381 23.165 1.00 91.56 C
|
| 857 |
+
ATOM 857 CB THR A1073 0.819 5.221 24.172 1.00 91.56 C
|
| 858 |
+
ATOM 858 O THR A1073 0.990 8.399 23.079 1.00 91.56 O
|
| 859 |
+
ATOM 859 CG2 THR A1073 -0.219 5.891 25.063 1.00 91.56 C
|
| 860 |
+
ATOM 860 OG1 THR A1073 0.303 3.949 23.852 1.00 91.56 O
|
| 861 |
+
ATOM 861 N GLN A1074 2.995 7.442 23.397 1.00 87.49 N
|
| 862 |
+
ATOM 862 CA GLN A1074 3.721 8.703 23.582 1.00 87.49 C
|
| 863 |
+
ATOM 863 C GLN A1074 3.601 9.615 22.346 1.00 87.49 C
|
| 864 |
+
ATOM 864 CB GLN A1074 5.187 8.400 23.955 1.00 87.49 C
|
| 865 |
+
ATOM 865 O GLN A1074 3.286 10.798 22.491 1.00 87.49 O
|
| 866 |
+
ATOM 866 CG GLN A1074 5.973 9.681 24.292 1.00 87.49 C
|
| 867 |
+
ATOM 867 CD GLN A1074 7.427 9.440 24.695 1.00 87.49 C
|
| 868 |
+
ATOM 868 NE2 GLN A1074 8.294 10.411 24.502 1.00 87.49 N
|
| 869 |
+
ATOM 869 OE1 GLN A1074 7.830 8.413 25.207 1.00 87.49 O
|
| 870 |
+
ATOM 870 N ARG A1075 3.772 9.079 21.124 1.00 88.34 N
|
| 871 |
+
ATOM 871 CA ARG A1075 3.560 9.842 19.873 1.00 88.34 C
|
| 872 |
+
ATOM 872 C ARG A1075 2.129 10.379 19.758 1.00 88.34 C
|
| 873 |
+
ATOM 873 CB ARG A1075 3.883 8.984 18.636 1.00 88.34 C
|
| 874 |
+
ATOM 874 O ARG A1075 1.944 11.546 19.411 1.00 88.34 O
|
| 875 |
+
ATOM 875 CG ARG A1075 5.379 8.715 18.400 1.00 88.34 C
|
| 876 |
+
ATOM 876 CD ARG A1075 5.532 7.967 17.067 1.00 88.34 C
|
| 877 |
+
ATOM 877 NE ARG A1075 6.929 7.606 16.750 1.00 88.34 N
|
| 878 |
+
ATOM 878 NH1 ARG A1075 6.576 7.203 14.519 1.00 88.34 N
|
| 879 |
+
ATOM 879 NH2 ARG A1075 8.572 6.804 15.362 1.00 88.34 N
|
| 880 |
+
ATOM 880 CZ ARG A1075 7.350 7.212 15.555 1.00 88.34 C
|
| 881 |
+
ATOM 881 N PHE A1076 1.120 9.557 20.062 1.00 91.00 N
|
| 882 |
+
ATOM 882 CA PHE A1076 -0.288 9.964 20.009 1.00 91.00 C
|
| 883 |
+
ATOM 883 C PHE A1076 -0.590 11.128 20.963 1.00 91.00 C
|
| 884 |
+
ATOM 884 CB PHE A1076 -1.189 8.757 20.315 1.00 91.00 C
|
| 885 |
+
ATOM 885 O PHE A1076 -1.169 12.135 20.556 1.00 91.00 O
|
| 886 |
+
ATOM 886 CG PHE A1076 -2.661 9.119 20.304 1.00 91.00 C
|
| 887 |
+
ATOM 887 CD1 PHE A1076 -3.340 9.389 21.510 1.00 91.00 C
|
| 888 |
+
ATOM 888 CD2 PHE A1076 -3.332 9.263 19.075 1.00 91.00 C
|
| 889 |
+
ATOM 889 CE1 PHE A1076 -4.679 9.816 21.482 1.00 91.00 C
|
| 890 |
+
ATOM 890 CE2 PHE A1076 -4.669 9.693 19.048 1.00 91.00 C
|
| 891 |
+
ATOM 891 CZ PHE A1076 -5.337 9.979 20.249 1.00 91.00 C
|
| 892 |
+
ATOM 892 N VAL A1077 -0.147 11.022 22.216 1.00 89.93 N
|
| 893 |
+
ATOM 893 CA VAL A1077 -0.389 12.028 23.259 1.00 89.93 C
|
| 894 |
+
ATOM 894 C VAL A1077 0.295 13.366 22.928 1.00 89.93 C
|
| 895 |
+
ATOM 895 CB VAL A1077 0.019 11.425 24.616 1.00 89.93 C
|
| 896 |
+
ATOM 896 O VAL A1077 -0.347 14.418 23.023 1.00 89.93 O
|
| 897 |
+
ATOM 897 CG1 VAL A1077 -0.010 12.444 25.748 1.00 89.93 C
|
| 898 |
+
ATOM 898 CG2 VAL A1077 -0.966 10.313 25.013 1.00 89.93 C
|
| 899 |
+
ATOM 899 N SER A1078 1.520 13.335 22.391 1.00 86.86 N
|
| 900 |
+
ATOM 900 CA SER A1078 2.193 14.526 21.845 1.00 86.86 C
|
| 901 |
+
ATOM 901 C SER A1078 1.444 15.135 20.651 1.00 86.86 C
|
| 902 |
+
ATOM 902 CB SER A1078 3.625 14.179 21.434 1.00 86.86 C
|
| 903 |
+
ATOM 903 O SER A1078 1.280 16.356 20.575 1.00 86.86 O
|
| 904 |
+
ATOM 904 OG SER A1078 4.384 13.808 22.567 1.00 86.86 O
|
| 905 |
+
ATOM 905 N ASN A1079 0.907 14.312 19.741 1.00 86.87 N
|
| 906 |
+
ATOM 906 CA ASN A1079 0.091 14.786 18.615 1.00 86.87 C
|
| 907 |
+
ATOM 907 C ASN A1079 -1.242 15.412 19.060 1.00 86.87 C
|
| 908 |
+
ATOM 908 CB ASN A1079 -0.115 13.641 17.604 1.00 86.87 C
|
| 909 |
+
ATOM 909 O ASN A1079 -1.698 16.373 18.431 1.00 86.87 O
|
| 910 |
+
ATOM 910 CG ASN A1079 1.052 13.482 16.644 1.00 86.87 C
|
| 911 |
+
ATOM 911 ND2 ASN A1079 1.178 12.342 16.007 1.00 86.87 N
|
| 912 |
+
ATOM 912 OD1 ASN A1079 1.824 14.395 16.402 1.00 86.87 O
|
| 913 |
+
ATOM 913 N MET A1080 -1.822 14.964 20.178 1.00 84.49 N
|
| 914 |
+
ATOM 914 CA MET A1080 -2.969 15.615 20.833 1.00 84.49 C
|
| 915 |
+
ATOM 915 C MET A1080 -2.604 16.953 21.501 1.00 84.49 C
|
| 916 |
+
ATOM 916 CB MET A1080 -3.619 14.648 21.836 1.00 84.49 C
|
| 917 |
+
ATOM 917 O MET A1080 -3.476 17.798 21.696 1.00 84.49 O
|
| 918 |
+
ATOM 918 CG MET A1080 -4.287 13.458 21.136 1.00 84.49 C
|
| 919 |
+
ATOM 919 SD MET A1080 -5.713 13.884 20.099 1.00 84.49 S
|
| 920 |
+
ATOM 920 CE MET A1080 -6.999 13.983 21.367 1.00 84.49 C
|
| 921 |
+
ATOM 921 N GLY A1081 -1.314 17.203 21.753 1.00 82.75 N
|
| 922 |
+
ATOM 922 CA GLY A1081 -0.794 18.450 22.321 1.00 82.75 C
|
| 923 |
+
ATOM 923 C GLY A1081 -0.451 18.380 23.810 1.00 82.75 C
|
| 924 |
+
ATOM 924 O GLY A1081 -0.251 19.429 24.419 1.00 82.75 O
|
| 925 |
+
ATOM 925 N PHE A1082 -0.375 17.179 24.388 1.00 82.15 N
|
| 926 |
+
ATOM 926 CA PHE A1082 0.070 16.970 25.764 1.00 82.15 C
|
| 927 |
+
ATOM 927 C PHE A1082 1.543 16.553 25.780 1.00 82.15 C
|
| 928 |
+
ATOM 928 CB PHE A1082 -0.821 15.932 26.447 1.00 82.15 C
|
| 929 |
+
ATOM 929 O PHE A1082 1.958 15.663 25.043 1.00 82.15 O
|
| 930 |
+
ATOM 930 CG PHE A1082 -2.295 16.274 26.437 1.00 82.15 C
|
| 931 |
+
ATOM 931 CD1 PHE A1082 -2.788 17.279 27.288 1.00 82.15 C
|
| 932 |
+
ATOM 932 CD2 PHE A1082 -3.166 15.622 25.542 1.00 82.15 C
|
| 933 |
+
ATOM 933 CE1 PHE A1082 -4.146 17.639 27.238 1.00 82.15 C
|
| 934 |
+
ATOM 934 CE2 PHE A1082 -4.522 15.988 25.489 1.00 82.15 C
|
| 935 |
+
ATOM 935 CZ PHE A1082 -5.012 16.995 26.336 1.00 82.15 C
|
| 936 |
+
ATOM 936 N ASP A1083 2.332 17.211 26.620 1.00 73.33 N
|
| 937 |
+
ATOM 937 CA ASP A1083 3.781 17.046 26.690 1.00 73.33 C
|
| 938 |
+
ATOM 938 C ASP A1083 4.148 16.142 27.875 1.00 73.33 C
|
| 939 |
+
ATOM 939 CB ASP A1083 4.389 18.454 26.780 1.00 73.33 C
|
| 940 |
+
ATOM 940 O ASP A1083 3.997 16.541 29.026 1.00 73.33 O
|
| 941 |
+
ATOM 941 CG ASP A1083 5.916 18.500 26.785 1.00 73.33 C
|
| 942 |
+
ATOM 942 OD1 ASP A1083 6.548 17.420 26.863 1.00 73.33 O
|
| 943 |
+
ATOM 943 OD2 ASP A1083 6.417 19.651 26.730 1.00 73.33 O
|
| 944 |
+
ATOM 944 N ILE A1084 4.611 14.920 27.587 1.00 70.45 N
|
| 945 |
+
ATOM 945 CA ILE A1084 5.035 13.929 28.597 1.00 70.45 C
|
| 946 |
+
ATOM 946 C ILE A1084 6.475 14.200 29.085 1.00 70.45 C
|
| 947 |
+
ATOM 947 CB ILE A1084 4.853 12.493 28.029 1.00 70.45 C
|
| 948 |
+
ATOM 948 O ILE A1084 6.890 13.666 30.111 1.00 70.45 O
|
| 949 |
+
ATOM 949 CG1 ILE A1084 3.374 12.196 27.676 1.00 70.45 C
|
| 950 |
+
ATOM 950 CG2 ILE A1084 5.339 11.394 29.000 1.00 70.45 C
|
| 951 |
+
ATOM 951 CD1 ILE A1084 3.233 11.093 26.620 1.00 70.45 C
|
| 952 |
+
TER 952 ILE A1084
|
| 953 |
+
END
|
6qsz/6qsz_af2_holo_ligand.sdf
ADDED
|
@@ -0,0 +1,147 @@
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|
| 1 |
+
|
| 2 |
+
RDKit 3D
|
| 3 |
+
|
| 4 |
+
69 71 0 0 0 0 0 0 0 0999 V2000
|
| 5 |
+
-10.6341 10.9373 14.3059 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 6 |
+
-10.5589 9.4479 14.4182 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 7 |
+
-11.2878 9.0456 15.6682 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 8 |
+
-11.1576 8.7861 13.1800 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 9 |
+
-10.7493 7.3460 12.7808 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 10 |
+
-11.4865 6.3605 13.5671 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 11 |
+
-11.9103 5.1455 13.1618 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 12 |
+
-11.8011 4.7366 11.9988 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 13 |
+
-12.5442 4.2830 14.2897 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 14 |
+
-12.7946 2.8194 13.8730 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 15 |
+
-13.3350 1.9669 15.0157 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 16 |
+
-14.4702 1.4606 14.8931 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 17 |
+
-12.6380 1.8428 16.0506 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 18 |
+
-13.7451 4.9173 14.8584 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 19 |
+
-13.8585 5.2886 16.1651 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 20 |
+
-12.9588 5.1166 16.9961 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 21 |
+
-15.1705 5.9833 16.5908 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 22 |
+
-15.8260 6.5625 15.4143 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 23 |
+
-16.1485 5.0838 17.4393 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 24 |
+
-15.6825 4.8922 18.8902 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 25 |
+
-17.4870 5.6040 17.4365 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 26 |
+
-9.2443 7.0781 13.0014 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 27 |
+
-8.9225 6.4759 14.0163 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 28 |
+
-8.3012 7.4601 12.1083 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 29 |
+
-8.4583 8.1649 10.8238 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 30 |
+
-7.0790 8.7083 10.5714 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 31 |
+
-6.1805 7.6273 11.0819 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 32 |
+
-6.8853 7.1013 12.3328 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 33 |
+
-6.2406 7.6573 13.5860 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 34 |
+
-6.5272 8.7908 13.9689 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 35 |
+
-5.3498 6.8446 14.2005 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 36 |
+
-4.5603 7.1497 15.4011 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 37 |
+
-3.7174 5.9419 15.7791 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 38 |
+
-4.4611 4.7324 15.8390 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 39 |
+
-4.1542 3.6795 14.7482 P 0 0 0 0 0 0 0 0 0 0 0 0
|
| 40 |
+
-2.7212 3.5811 14.3017 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 41 |
+
-4.5492 2.3783 15.4225 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 42 |
+
-4.9738 4.0139 13.4827 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 43 |
+
-3.4890 8.1614 15.0446 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 44 |
+
-3.0284 8.9018 15.9188 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 45 |
+
-3.0916 8.1830 13.7513 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 46 |
+
-2.0825 9.0807 13.2058 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 47 |
+
-1.2282 8.3563 12.1520 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 48 |
+
-0.4567 7.1757 12.7061 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 49 |
+
-0.7683 6.0298 12.3161 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 50 |
+
0.4449 7.3951 13.5501 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 51 |
+
-2.7429 10.3317 12.6132 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 52 |
+
-3.7762 10.2070 11.9377 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 53 |
+
-2.1640 11.5427 12.8567 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 54 |
+
-0.9604 11.8435 13.6498 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 55 |
+
-1.1066 13.2908 13.9348 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 56 |
+
-1.8070 13.8734 12.7967 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 57 |
+
-2.7586 12.7826 12.3131 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 58 |
+
-2.8310 12.8005 10.7936 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 59 |
+
-2.0370 12.1009 10.1568 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 60 |
+
-3.7580 13.5873 10.1901 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 61 |
+
-4.7523 14.4904 10.8121 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 62 |
+
-5.1729 15.3718 9.6867 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 63 |
+
-5.0471 14.5388 8.4504 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 64 |
+
-3.8389 13.6348 8.7094 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 65 |
+
-2.5590 14.1669 8.0416 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 66 |
+
-1.9169 15.0989 8.5693 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 67 |
+
-2.1715 13.5202 6.9155 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 68 |
+
-0.9751 13.8123 6.1144 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 69 |
+
-0.3809 12.5210 5.5554 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 70 |
+
-1.3779 11.5884 5.1643 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 71 |
+
-1.2588 14.8023 4.9860 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 72 |
+
-0.4146 15.6435 4.6784 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 73 |
+
-2.3319 14.7588 4.3844 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 74 |
+
18 17 1 0
|
| 75 |
+
17 15 1 0
|
| 76 |
+
17 19 1 0
|
| 77 |
+
15 16 2 0
|
| 78 |
+
15 14 1 0
|
| 79 |
+
19 21 1 0
|
| 80 |
+
19 20 1 0
|
| 81 |
+
14 9 1 0
|
| 82 |
+
9 7 1 0
|
| 83 |
+
9 10 1 0
|
| 84 |
+
7 8 2 0
|
| 85 |
+
7 6 1 0
|
| 86 |
+
10 11 1 0
|
| 87 |
+
11 13 1 0
|
| 88 |
+
11 12 2 0
|
| 89 |
+
6 5 1 0
|
| 90 |
+
5 22 1 0
|
| 91 |
+
5 4 1 0
|
| 92 |
+
22 23 2 0
|
| 93 |
+
22 24 1 0
|
| 94 |
+
4 2 1 0
|
| 95 |
+
2 1 1 0
|
| 96 |
+
2 3 1 0
|
| 97 |
+
24 28 1 0
|
| 98 |
+
24 25 1 0
|
| 99 |
+
28 29 1 0
|
| 100 |
+
28 27 1 0
|
| 101 |
+
29 30 2 0
|
| 102 |
+
29 31 1 0
|
| 103 |
+
27 26 1 0
|
| 104 |
+
26 25 1 0
|
| 105 |
+
31 32 1 0
|
| 106 |
+
32 33 1 0
|
| 107 |
+
32 39 1 0
|
| 108 |
+
33 34 1 0
|
| 109 |
+
34 35 1 0
|
| 110 |
+
39 40 2 0
|
| 111 |
+
39 41 1 0
|
| 112 |
+
35 36 2 0
|
| 113 |
+
35 37 1 0
|
| 114 |
+
35 38 1 0
|
| 115 |
+
41 42 1 0
|
| 116 |
+
42 47 1 0
|
| 117 |
+
42 43 1 0
|
| 118 |
+
47 48 2 0
|
| 119 |
+
47 49 1 0
|
| 120 |
+
43 44 1 0
|
| 121 |
+
44 46 1 0
|
| 122 |
+
44 45 2 0
|
| 123 |
+
49 53 1 0
|
| 124 |
+
49 50 1 0
|
| 125 |
+
53 54 1 0
|
| 126 |
+
53 52 1 0
|
| 127 |
+
54 55 2 0
|
| 128 |
+
54 56 1 0
|
| 129 |
+
52 51 1 0
|
| 130 |
+
51 50 1 0
|
| 131 |
+
56 60 1 0
|
| 132 |
+
56 57 1 0
|
| 133 |
+
60 61 1 0
|
| 134 |
+
60 59 1 0
|
| 135 |
+
61 62 2 0
|
| 136 |
+
61 63 1 0
|
| 137 |
+
59 58 1 0
|
| 138 |
+
58 57 1 0
|
| 139 |
+
63 64 1 0
|
| 140 |
+
64 67 1 0
|
| 141 |
+
64 65 1 0
|
| 142 |
+
67 68 2 0
|
| 143 |
+
67 69 1 0
|
| 144 |
+
65 66 1 0
|
| 145 |
+
M CHG 1 18 1
|
| 146 |
+
M END
|
| 147 |
+
$$$$
|
6qsz/6qsz_af2_holo_protein.pdb
ADDED
|
The diff for this file is too large to render.
See raw diff
|
|
|
6qtm/6qtm_af2_apo_protein.pdb
ADDED
|
@@ -0,0 +1,961 @@
|
|
|
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|
|
|
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|
| 1 |
+
ATOM 1 N LEU A 969 -8.361 19.331 6.956 1.00 53.58 N
|
| 2 |
+
ATOM 2 CA LEU A 969 -8.925 19.193 8.296 1.00 53.58 C
|
| 3 |
+
ATOM 3 C LEU A 969 -7.881 19.683 9.298 1.00 53.58 C
|
| 4 |
+
ATOM 4 CB LEU A 969 -9.305 17.725 8.573 1.00 53.58 C
|
| 5 |
+
ATOM 5 O LEU A 969 -6.811 19.093 9.461 1.00 53.58 O
|
| 6 |
+
ATOM 6 CG LEU A 969 -10.628 17.278 7.925 1.00 53.58 C
|
| 7 |
+
ATOM 7 CD1 LEU A 969 -10.761 15.760 8.039 1.00 53.58 C
|
| 8 |
+
ATOM 8 CD2 LEU A 969 -11.839 17.912 8.615 1.00 53.58 C
|
| 9 |
+
ATOM 9 N SER A 970 -8.160 20.835 9.910 1.00 71.51 N
|
| 10 |
+
ATOM 10 CA SER A 970 -7.184 21.497 10.771 1.00 71.51 C
|
| 11 |
+
ATOM 11 C SER A 970 -6.765 20.548 11.898 1.00 71.51 C
|
| 12 |
+
ATOM 12 CB SER A 970 -7.736 22.823 11.310 1.00 71.51 C
|
| 13 |
+
ATOM 13 O SER A 970 -7.599 19.811 12.427 1.00 71.51 O
|
| 14 |
+
ATOM 14 OG SER A 970 -8.861 22.628 12.154 1.00 71.51 O
|
| 15 |
+
ATOM 15 N LYS A 971 -5.493 20.583 12.329 1.00 76.71 N
|
| 16 |
+
ATOM 16 CA LYS A 971 -5.036 19.736 13.452 1.00 76.71 C
|
| 17 |
+
ATOM 17 C LYS A 971 -5.891 19.945 14.719 1.00 76.71 C
|
| 18 |
+
ATOM 18 CB LYS A 971 -3.525 19.918 13.729 1.00 76.71 C
|
| 19 |
+
ATOM 19 O LYS A 971 -6.008 19.037 15.532 1.00 76.71 O
|
| 20 |
+
ATOM 20 CG LYS A 971 -2.628 19.379 12.591 1.00 76.71 C
|
| 21 |
+
ATOM 21 CD LYS A 971 -1.141 19.251 12.993 1.00 76.71 C
|
| 22 |
+
ATOM 22 CE LYS A 971 -0.327 18.607 11.850 1.00 76.71 C
|
| 23 |
+
ATOM 23 NZ LYS A 971 1.043 18.178 12.259 1.00 76.71 N
|
| 24 |
+
ATOM 24 N SER A 972 -6.537 21.106 14.859 1.00 77.28 N
|
| 25 |
+
ATOM 25 CA SER A 972 -7.587 21.402 15.845 1.00 77.28 C
|
| 26 |
+
ATOM 26 C SER A 972 -8.888 20.611 15.653 1.00 77.28 C
|
| 27 |
+
ATOM 27 CB SER A 972 -7.895 22.909 15.843 1.00 77.28 C
|
| 28 |
+
ATOM 28 O SER A 972 -9.390 20.070 16.631 1.00 77.28 O
|
| 29 |
+
ATOM 29 OG SER A 972 -7.660 23.502 14.572 1.00 77.28 O
|
| 30 |
+
ATOM 30 N SER A 973 -9.417 20.504 14.430 1.00 79.54 N
|
| 31 |
+
ATOM 31 CA SER A 973 -10.634 19.732 14.122 1.00 79.54 C
|
| 32 |
+
ATOM 32 C SER A 973 -10.424 18.236 14.377 1.00 79.54 C
|
| 33 |
+
ATOM 33 CB SER A 973 -11.051 20.009 12.672 1.00 79.54 C
|
| 34 |
+
ATOM 34 O SER A 973 -11.194 17.635 15.122 1.00 79.54 O
|
| 35 |
+
ATOM 35 OG SER A 973 -12.065 19.144 12.220 1.00 79.54 O
|
| 36 |
+
ATOM 36 N TRP A 974 -9.311 17.672 13.894 1.00 87.52 N
|
| 37 |
+
ATOM 37 CA TRP A 974 -8.917 16.288 14.190 1.00 87.52 C
|
| 38 |
+
ATOM 38 C TRP A 974 -8.778 16.044 15.706 1.00 87.52 C
|
| 39 |
+
ATOM 39 CB TRP A 974 -7.615 15.990 13.433 1.00 87.52 C
|
| 40 |
+
ATOM 40 O TRP A 974 -9.327 15.081 16.237 1.00 87.52 O
|
| 41 |
+
ATOM 41 CG TRP A 974 -7.018 14.633 13.651 1.00 87.52 C
|
| 42 |
+
ATOM 42 CD1 TRP A 974 -7.290 13.526 12.924 1.00 87.52 C
|
| 43 |
+
ATOM 43 CD2 TRP A 974 -6.055 14.212 14.666 1.00 87.52 C
|
| 44 |
+
ATOM 44 CE2 TRP A 974 -5.798 12.818 14.505 1.00 87.52 C
|
| 45 |
+
ATOM 45 CE3 TRP A 974 -5.383 14.870 15.717 1.00 87.52 C
|
| 46 |
+
ATOM 46 NE1 TRP A 974 -6.543 12.463 13.399 1.00 87.52 N
|
| 47 |
+
ATOM 47 CH2 TRP A 974 -4.331 12.786 16.432 1.00 87.52 C
|
| 48 |
+
ATOM 48 CZ2 TRP A 974 -4.952 12.106 15.369 1.00 87.52 C
|
| 49 |
+
ATOM 49 CZ3 TRP A 974 -4.536 14.168 16.598 1.00 87.52 C
|
| 50 |
+
ATOM 50 N ARG A 975 -8.128 16.956 16.449 1.00 86.69 N
|
| 51 |
+
ATOM 51 CA ARG A 975 -8.050 16.868 17.923 1.00 86.69 C
|
| 52 |
+
ATOM 52 C ARG A 975 -9.426 16.915 18.590 1.00 86.69 C
|
| 53 |
+
ATOM 53 CB ARG A 975 -7.165 17.985 18.496 1.00 86.69 C
|
| 54 |
+
ATOM 54 O ARG A 975 -9.634 16.195 19.560 1.00 86.69 O
|
| 55 |
+
ATOM 55 CG ARG A 975 -5.668 17.677 18.383 1.00 86.69 C
|
| 56 |
+
ATOM 56 CD ARG A 975 -4.849 18.891 18.828 1.00 86.69 C
|
| 57 |
+
ATOM 57 NE ARG A 975 -3.405 18.661 18.655 1.00 86.69 N
|
| 58 |
+
ATOM 58 NH1 ARG A 975 -2.652 20.616 19.593 1.00 86.69 N
|
| 59 |
+
ATOM 59 NH2 ARG A 975 -1.195 19.080 18.879 1.00 86.69 N
|
| 60 |
+
ATOM 60 CZ ARG A 975 -2.428 19.457 19.040 1.00 86.69 C
|
| 61 |
+
ATOM 61 N GLN A 976 -10.353 17.744 18.110 1.00 83.77 N
|
| 62 |
+
ATOM 62 CA GLN A 976 -11.712 17.840 18.657 1.00 83.77 C
|
| 63 |
+
ATOM 63 C GLN A 976 -12.512 16.551 18.435 1.00 83.77 C
|
| 64 |
+
ATOM 64 CB GLN A 976 -12.439 19.049 18.047 1.00 83.77 C
|
| 65 |
+
ATOM 65 O GLN A 976 -13.164 16.086 19.368 1.00 83.77 O
|
| 66 |
+
ATOM 66 CG GLN A 976 -11.976 20.371 18.679 1.00 83.77 C
|
| 67 |
+
ATOM 67 CD GLN A 976 -12.484 21.604 17.935 1.00 83.77 C
|
| 68 |
+
ATOM 68 NE2 GLN A 976 -12.561 22.743 18.588 1.00 83.77 N
|
| 69 |
+
ATOM 69 OE1 GLN A 976 -12.797 21.597 16.758 1.00 83.77 O
|
| 70 |
+
ATOM 70 N GLU A 977 -12.404 15.941 17.253 1.00 85.70 N
|
| 71 |
+
ATOM 71 CA GLU A 977 -13.015 14.644 16.941 1.00 85.70 C
|
| 72 |
+
ATOM 72 C GLU A 977 -12.474 13.534 17.860 1.00 85.70 C
|
| 73 |
+
ATOM 73 CB GLU A 977 -12.739 14.323 15.465 1.00 85.70 C
|
| 74 |
+
ATOM 74 O GLU A 977 -13.241 12.828 18.518 1.00 85.70 O
|
| 75 |
+
ATOM 75 CG GLU A 977 -13.599 13.161 14.952 1.00 85.70 C
|
| 76 |
+
ATOM 76 CD GLU A 977 -13.018 12.528 13.681 1.00 85.70 C
|
| 77 |
+
ATOM 77 OE1 GLU A 977 -13.201 11.298 13.539 1.00 85.70 O
|
| 78 |
+
ATOM 78 OE2 GLU A 977 -12.346 13.250 12.908 1.00 85.70 O
|
| 79 |
+
ATOM 79 N TRP A 978 -11.148 13.433 18.013 1.00 87.19 N
|
| 80 |
+
ATOM 80 CA TRP A 978 -10.542 12.463 18.931 1.00 87.19 C
|
| 81 |
+
ATOM 81 C TRP A 978 -10.895 12.738 20.400 1.00 87.19 C
|
| 82 |
+
ATOM 82 CB TRP A 978 -9.032 12.367 18.686 1.00 87.19 C
|
| 83 |
+
ATOM 83 O TRP A 978 -11.169 11.794 21.134 1.00 87.19 O
|
| 84 |
+
ATOM 84 CG TRP A 978 -8.683 11.474 17.534 1.00 87.19 C
|
| 85 |
+
ATOM 85 CD1 TRP A 978 -8.608 11.846 16.238 1.00 87.19 C
|
| 86 |
+
ATOM 86 CD2 TRP A 978 -8.463 10.028 17.538 1.00 87.19 C
|
| 87 |
+
ATOM 87 CE2 TRP A 978 -8.244 9.598 16.195 1.00 87.19 C
|
| 88 |
+
ATOM 88 CE3 TRP A 978 -8.455 9.030 18.537 1.00 87.19 C
|
| 89 |
+
ATOM 89 NE1 TRP A 978 -8.370 10.745 15.445 1.00 87.19 N
|
| 90 |
+
ATOM 90 CH2 TRP A 978 -7.981 7.294 16.884 1.00 87.19 C
|
| 91 |
+
ATOM 91 CZ2 TRP A 978 -8.004 8.257 15.861 1.00 87.19 C
|
| 92 |
+
ATOM 92 CZ3 TRP A 978 -8.213 7.680 18.217 1.00 87.19 C
|
| 93 |
+
ATOM 93 N LEU A 979 -10.987 14.001 20.833 1.00 85.63 N
|
| 94 |
+
ATOM 94 CA LEU A 979 -11.477 14.374 22.171 1.00 85.63 C
|
| 95 |
+
ATOM 95 C LEU A 979 -12.986 14.134 22.368 1.00 85.63 C
|
| 96 |
+
ATOM 96 CB LEU A 979 -11.153 15.854 22.456 1.00 85.63 C
|
| 97 |
+
ATOM 97 O LEU A 979 -13.459 14.182 23.506 1.00 85.63 O
|
| 98 |
+
ATOM 98 CG LEU A 979 -9.676 16.160 22.755 1.00 85.63 C
|
| 99 |
+
ATOM 99 CD1 LEU A 979 -9.465 17.674 22.786 1.00 85.63 C
|
| 100 |
+
ATOM 100 CD2 LEU A 979 -9.218 15.587 24.098 1.00 85.63 C
|
| 101 |
+
ATOM 101 N ALA A 980 -13.767 13.912 21.311 1.00 83.55 N
|
| 102 |
+
ATOM 102 CA ALA A 980 -15.139 13.421 21.418 1.00 83.55 C
|
| 103 |
+
ATOM 103 C ALA A 980 -15.143 11.892 21.557 1.00 83.55 C
|
| 104 |
+
ATOM 104 CB ALA A 980 -15.960 13.929 20.226 1.00 83.55 C
|
| 105 |
+
ATOM 105 O ALA A 980 -15.670 11.370 22.539 1.00 83.55 O
|
| 106 |
+
ATOM 106 N ASN A 981 -14.471 11.194 20.638 1.00 86.11 N
|
| 107 |
+
ATOM 107 CA ASN A 981 -14.461 9.732 20.564 1.00 86.11 C
|
| 108 |
+
ATOM 108 C ASN A 981 -13.774 9.066 21.772 1.00 86.11 C
|
| 109 |
+
ATOM 109 CB ASN A 981 -13.817 9.333 19.220 1.00 86.11 C
|
| 110 |
+
ATOM 110 O ASN A 981 -14.285 8.081 22.298 1.00 86.11 O
|
| 111 |
+
ATOM 111 CG ASN A 981 -14.677 9.705 18.018 1.00 86.11 C
|
| 112 |
+
ATOM 112 ND2 ASN A 981 -14.087 9.889 16.859 1.00 86.11 N
|
| 113 |
+
ATOM 113 OD1 ASN A 981 -15.887 9.815 18.105 1.00 86.11 O
|
| 114 |
+
ATOM 114 N LEU A 982 -12.661 9.615 22.275 1.00 86.64 N
|
| 115 |
+
ATOM 115 CA LEU A 982 -11.901 9.036 23.398 1.00 86.64 C
|
| 116 |
+
ATOM 116 C LEU A 982 -12.671 8.971 24.725 1.00 86.64 C
|
| 117 |
+
ATOM 117 CB LEU A 982 -10.592 9.816 23.597 1.00 86.64 C
|
| 118 |
+
ATOM 118 O LEU A 982 -12.308 8.164 25.577 1.00 86.64 O
|
| 119 |
+
ATOM 119 CG LEU A 982 -9.507 9.478 22.561 1.00 86.64 C
|
| 120 |
+
ATOM 120 CD1 LEU A 982 -8.395 10.514 22.679 1.00 86.64 C
|
| 121 |
+
ATOM 121 CD2 LEU A 982 -8.886 8.096 22.788 1.00 86.64 C
|
| 122 |
+
ATOM 122 N LYS A 983 -13.737 9.762 24.893 1.00 85.03 N
|
| 123 |
+
ATOM 123 CA LYS A 983 -14.627 9.707 26.070 1.00 85.03 C
|
| 124 |
+
ATOM 124 C LYS A 983 -15.470 8.433 26.127 1.00 85.03 C
|
| 125 |
+
ATOM 125 CB LYS A 983 -15.581 10.904 26.042 1.00 85.03 C
|
| 126 |
+
ATOM 126 O LYS A 983 -15.939 8.059 27.194 1.00 85.03 O
|
| 127 |
+
ATOM 127 CG LYS A 983 -14.869 12.243 26.253 1.00 85.03 C
|
| 128 |
+
ATOM 128 CD LYS A 983 -15.790 13.372 25.790 1.00 85.03 C
|
| 129 |
+
ATOM 129 CE LYS A 983 -15.106 14.726 25.990 1.00 85.03 C
|
| 130 |
+
ATOM 130 NZ LYS A 983 -15.418 15.628 24.858 1.00 85.03 N
|
| 131 |
+
ATOM 131 N LEU A 984 -15.691 7.802 24.974 1.00 84.26 N
|
| 132 |
+
ATOM 132 CA LEU A 984 -16.515 6.600 24.813 1.00 84.26 C
|
| 133 |
+
ATOM 133 C LEU A 984 -15.670 5.316 24.763 1.00 84.26 C
|
| 134 |
+
ATOM 134 CB LEU A 984 -17.373 6.756 23.541 1.00 84.26 C
|
| 135 |
+
ATOM 135 O LEU A 984 -16.213 4.233 24.577 1.00 84.26 O
|
| 136 |
+
ATOM 136 CG LEU A 984 -18.251 8.020 23.483 1.00 84.26 C
|
| 137 |
+
ATOM 137 CD1 LEU A 984 -19.010 8.058 22.156 1.00 84.26 C
|
| 138 |
+
ATOM 138 CD2 LEU A 984 -19.270 8.077 24.623 1.00 84.26 C
|
| 139 |
+
ATOM 139 N ILE A 985 -14.346 5.445 24.887 1.00 86.62 N
|
| 140 |
+
ATOM 140 CA ILE A 985 -13.369 4.371 24.701 1.00 86.62 C
|
| 141 |
+
ATOM 141 C ILE A 985 -12.827 3.932 26.063 1.00 86.62 C
|
| 142 |
+
ATOM 142 CB ILE A 985 -12.278 4.852 23.712 1.00 86.62 C
|
| 143 |
+
ATOM 143 O ILE A 985 -12.375 4.756 26.866 1.00 86.62 O
|
| 144 |
+
ATOM 144 CG1 ILE A 985 -12.886 4.919 22.288 1.00 86.62 C
|
| 145 |
+
ATOM 145 CG2 ILE A 985 -11.020 3.970 23.697 1.00 86.62 C
|
| 146 |
+
ATOM 146 CD1 ILE A 985 -11.969 5.505 21.206 1.00 86.62 C
|
| 147 |
+
ATOM 147 N SER A 986 -12.846 2.621 26.298 1.00 89.40 N
|
| 148 |
+
ATOM 148 CA SER A 986 -12.205 1.984 27.447 1.00 89.40 C
|
| 149 |
+
ATOM 149 C SER A 986 -10.728 1.686 27.167 1.00 89.40 C
|
| 150 |
+
ATOM 150 CB SER A 986 -12.979 0.743 27.902 1.00 89.40 C
|
| 151 |
+
ATOM 151 O SER A 986 -10.359 1.190 26.099 1.00 89.40 O
|
| 152 |
+
ATOM 152 OG SER A 986 -13.033 -0.238 26.890 1.00 89.40 O
|
| 153 |
+
ATOM 153 N VAL A 987 -9.870 2.019 28.129 1.00 91.58 N
|
| 154 |
+
ATOM 154 CA VAL A 987 -8.409 1.938 28.015 1.00 91.58 C
|
| 155 |
+
ATOM 155 C VAL A 987 -7.854 1.179 29.214 1.00 91.58 C
|
| 156 |
+
ATOM 156 CB VAL A 987 -7.777 3.345 27.921 1.00 91.58 C
|
| 157 |
+
ATOM 157 O VAL A 987 -8.069 1.587 30.354 1.00 91.58 O
|
| 158 |
+
ATOM 158 CG1 VAL A 987 -6.265 3.260 27.680 1.00 91.58 C
|
| 159 |
+
ATOM 159 CG2 VAL A 987 -8.373 4.183 26.781 1.00 91.58 C
|
| 160 |
+
ATOM 160 N SER A 988 -7.100 0.109 28.971 1.00 90.79 N
|
| 161 |
+
ATOM 161 CA SER A 988 -6.318 -0.571 30.008 1.00 90.79 C
|
| 162 |
+
ATOM 162 C SER A 988 -4.824 -0.373 29.766 1.00 90.79 C
|
| 163 |
+
ATOM 163 CB SER A 988 -6.697 -2.046 30.106 1.00 90.79 C
|
| 164 |
+
ATOM 164 O SER A 988 -4.369 -0.319 28.623 1.00 90.79 O
|
| 165 |
+
ATOM 165 OG SER A 988 -6.133 -2.609 31.268 1.00 90.79 O
|
| 166 |
+
ATOM 166 N LEU A 989 -4.067 -0.224 30.850 1.00 90.48 N
|
| 167 |
+
ATOM 167 CA LEU A 989 -2.616 -0.058 30.853 1.00 90.48 C
|
| 168 |
+
ATOM 168 C LEU A 989 -2.061 -1.288 31.569 1.00 90.48 C
|
| 169 |
+
ATOM 169 CB LEU A 989 -2.208 1.244 31.577 1.00 90.48 C
|
| 170 |
+
ATOM 170 O LEU A 989 -2.349 -1.464 32.752 1.00 90.48 O
|
| 171 |
+
ATOM 171 CG LEU A 989 -2.673 2.574 30.948 1.00 90.48 C
|
| 172 |
+
ATOM 172 CD1 LEU A 989 -4.141 2.929 31.221 1.00 90.48 C
|
| 173 |
+
ATOM 173 CD2 LEU A 989 -1.858 3.721 31.542 1.00 90.48 C
|
| 174 |
+
ATOM 174 N VAL A 990 -1.339 -2.158 30.860 1.00 87.16 N
|
| 175 |
+
ATOM 175 CA VAL A 990 -0.983 -3.476 31.410 1.00 87.16 C
|
| 176 |
+
ATOM 176 C VAL A 990 0.338 -3.421 32.164 1.00 87.16 C
|
| 177 |
+
ATOM 177 CB VAL A 990 -0.986 -4.607 30.365 1.00 87.16 C
|
| 178 |
+
ATOM 178 O VAL A 990 1.301 -2.801 31.707 1.00 87.16 O
|
| 179 |
+
ATOM 179 CG1 VAL A 990 -1.153 -5.946 31.100 1.00 87.16 C
|
| 180 |
+
ATOM 180 CG2 VAL A 990 -2.136 -4.487 29.358 1.00 87.16 C
|
| 181 |
+
ATOM 181 N ASP A 991 0.387 -4.076 33.324 1.00 84.18 N
|
| 182 |
+
ATOM 182 CA ASP A 991 1.537 -3.984 34.220 1.00 84.18 C
|
| 183 |
+
ATOM 183 C ASP A 991 2.712 -4.911 33.880 1.00 84.18 C
|
| 184 |
+
ATOM 184 CB ASP A 991 1.093 -4.078 35.690 1.00 84.18 C
|
| 185 |
+
ATOM 185 O ASP A 991 3.838 -4.628 34.303 1.00 84.18 O
|
| 186 |
+
ATOM 186 CG ASP A 991 0.821 -2.683 36.263 1.00 84.18 C
|
| 187 |
+
ATOM 187 OD1 ASP A 991 1.712 -1.812 36.071 1.00 84.18 O
|
| 188 |
+
ATOM 188 OD2 ASP A 991 -0.251 -2.489 36.875 1.00 84.18 O
|
| 189 |
+
ATOM 189 N GLU A 992 2.487 -5.952 33.071 1.00 83.76 N
|
| 190 |
+
ATOM 190 CA GLU A 992 3.548 -6.824 32.559 1.00 83.76 C
|
| 191 |
+
ATOM 191 C GLU A 992 4.605 -6.036 31.758 1.00 83.76 C
|
| 192 |
+
ATOM 192 CB GLU A 992 2.995 -7.914 31.628 1.00 83.76 C
|
| 193 |
+
ATOM 193 O GLU A 992 4.294 -5.168 30.933 1.00 83.76 O
|
| 194 |
+
ATOM 194 CG GLU A 992 2.005 -8.958 32.175 1.00 83.76 C
|
| 195 |
+
ATOM 195 CD GLU A 992 1.673 -10.016 31.093 1.00 83.76 C
|
| 196 |
+
ATOM 196 OE1 GLU A 992 0.986 -11.019 31.377 1.00 83.76 O
|
| 197 |
+
ATOM 197 OE2 GLU A 992 2.120 -9.851 29.934 1.00 83.76 O
|
| 198 |
+
ATOM 198 N PHE A 993 5.870 -6.420 31.925 1.00 83.50 N
|
| 199 |
+
ATOM 199 CA PHE A 993 6.990 -5.931 31.121 1.00 83.50 C
|
| 200 |
+
ATOM 200 C PHE A 993 7.399 -6.951 30.049 1.00 83.50 C
|
| 201 |
+
ATOM 201 CB PHE A 993 8.186 -5.644 32.031 1.00 83.50 C
|
| 202 |
+
ATOM 202 O PHE A 993 7.310 -8.155 30.304 1.00 83.50 O
|
| 203 |
+
ATOM 203 CG PHE A 993 8.054 -4.401 32.881 1.00 83.50 C
|
| 204 |
+
ATOM 204 CD1 PHE A 993 8.396 -3.151 32.335 1.00 83.50 C
|
| 205 |
+
ATOM 205 CD2 PHE A 993 7.633 -4.492 34.221 1.00 83.50 C
|
| 206 |
+
ATOM 206 CE1 PHE A 993 8.367 -2.002 33.139 1.00 83.50 C
|
| 207 |
+
ATOM 207 CE2 PHE A 993 7.609 -3.341 35.028 1.00 83.50 C
|
| 208 |
+
ATOM 208 CZ PHE A 993 7.999 -2.103 34.489 1.00 83.50 C
|
| 209 |
+
ATOM 209 N PRO A 994 7.926 -6.498 28.898 1.00 83.43 N
|
| 210 |
+
ATOM 210 CA PRO A 994 8.618 -7.378 27.967 1.00 83.43 C
|
| 211 |
+
ATOM 211 C PRO A 994 9.895 -7.987 28.576 1.00 83.43 C
|
| 212 |
+
ATOM 212 CB PRO A 994 8.932 -6.502 26.752 1.00 83.43 C
|
| 213 |
+
ATOM 213 O PRO A 994 10.414 -7.550 29.616 1.00 83.43 O
|
| 214 |
+
ATOM 214 CG PRO A 994 9.124 -5.128 27.378 1.00 83.43 C
|
| 215 |
+
ATOM 215 CD PRO A 994 8.039 -5.114 28.451 1.00 83.43 C
|
| 216 |
+
ATOM 216 N SER A 995 10.415 -9.002 27.891 1.00 67.35 N
|
| 217 |
+
ATOM 217 CA SER A 995 11.746 -9.560 28.122 1.00 67.35 C
|
| 218 |
+
ATOM 218 C SER A 995 12.843 -8.494 27.929 1.00 67.35 C
|
| 219 |
+
ATOM 219 CB SER A 995 11.948 -10.749 27.168 1.00 67.35 C
|
| 220 |
+
ATOM 220 O SER A 995 12.634 -7.481 27.270 1.00 67.35 O
|
| 221 |
+
ATOM 221 OG SER A 995 10.947 -11.736 27.391 1.00 67.35 O
|
| 222 |
+
ATOM 222 N GLU A 996 14.015 -8.716 28.530 1.00 70.00 N
|
| 223 |
+
ATOM 223 CA GLU A 996 15.269 -7.969 28.278 1.00 70.00 C
|
| 224 |
+
ATOM 224 C GLU A 996 15.350 -6.478 28.706 1.00 70.00 C
|
| 225 |
+
ATOM 225 CB GLU A 996 15.759 -8.227 26.833 1.00 70.00 C
|
| 226 |
+
ATOM 226 O GLU A 996 16.439 -5.911 28.675 1.00 70.00 O
|
| 227 |
+
ATOM 227 CG GLU A 996 15.997 -9.730 26.574 1.00 70.00 C
|
| 228 |
+
ATOM 228 CD GLU A 996 16.381 -10.071 25.125 1.00 70.00 C
|
| 229 |
+
ATOM 229 OE1 GLU A 996 16.085 -11.222 24.727 1.00 70.00 O
|
| 230 |
+
ATOM 230 OE2 GLU A 996 16.976 -9.210 24.440 1.00 70.00 O
|
| 231 |
+
ATOM 231 N LEU A 997 14.285 -5.841 29.221 1.00 75.97 N
|
| 232 |
+
ATOM 232 CA LEU A 997 14.393 -4.483 29.805 1.00 75.97 C
|
| 233 |
+
ATOM 233 C LEU A 997 15.230 -4.428 31.098 1.00 75.97 C
|
| 234 |
+
ATOM 234 CB LEU A 997 13.006 -3.892 30.109 1.00 75.97 C
|
| 235 |
+
ATOM 235 O LEU A 997 15.002 -5.236 32.007 1.00 75.97 O
|
| 236 |
+
ATOM 236 CG LEU A 997 12.242 -3.338 28.900 1.00 75.97 C
|
| 237 |
+
ATOM 237 CD1 LEU A 997 10.866 -2.894 29.397 1.00 75.97 C
|
| 238 |
+
ATOM 238 CD2 LEU A 997 12.919 -2.123 28.265 1.00 75.97 C
|
| 239 |
+
ATOM 239 N SER A 998 16.089 -3.404 31.218 1.00 80.74 N
|
| 240 |
+
ATOM 240 CA SER A 998 16.859 -3.083 32.433 1.00 80.74 C
|
| 241 |
+
ATOM 241 C SER A 998 15.984 -2.501 33.553 1.00 80.74 C
|
| 242 |
+
ATOM 242 CB SER A 998 18.012 -2.113 32.113 1.00 80.74 C
|
| 243 |
+
ATOM 243 O SER A 998 14.929 -1.922 33.289 1.00 80.74 O
|
| 244 |
+
ATOM 244 OG SER A 998 17.601 -0.754 32.114 1.00 80.74 O
|
| 245 |
+
ATOM 245 N ASP A 999 16.428 -2.591 34.810 1.00 78.97 N
|
| 246 |
+
ATOM 246 CA ASP A 999 15.683 -2.044 35.957 1.00 78.97 C
|
| 247 |
+
ATOM 247 C ASP A 999 15.520 -0.516 35.901 1.00 78.97 C
|
| 248 |
+
ATOM 248 CB ASP A 999 16.350 -2.483 37.266 1.00 78.97 C
|
| 249 |
+
ATOM 249 O ASP A 999 14.459 0.011 36.245 1.00 78.97 O
|
| 250 |
+
ATOM 250 CG ASP A 999 16.280 -4.000 37.455 1.00 78.97 C
|
| 251 |
+
ATOM 251 OD1 ASP A 999 15.206 -4.571 37.151 1.00 78.97 O
|
| 252 |
+
ATOM 252 OD2 ASP A 999 17.313 -4.568 37.867 1.00 78.97 O
|
| 253 |
+
ATOM 253 N SER A1000 16.522 0.195 35.374 1.00 79.32 N
|
| 254 |
+
ATOM 254 CA SER A1000 16.436 1.631 35.082 1.00 79.32 C
|
| 255 |
+
ATOM 255 C SER A1000 15.334 1.951 34.069 1.00 79.32 C
|
| 256 |
+
ATOM 256 CB SER A1000 17.788 2.173 34.587 1.00 79.32 C
|
| 257 |
+
ATOM 257 O SER A1000 14.535 2.862 34.295 1.00 79.32 O
|
| 258 |
+
ATOM 258 OG SER A1000 18.604 1.192 33.963 1.00 79.32 O
|
| 259 |
+
ATOM 259 N ASP A1001 15.236 1.181 32.982 1.00 81.51 N
|
| 260 |
+
ATOM 260 CA ASP A1001 14.190 1.386 31.976 1.00 81.51 C
|
| 261 |
+
ATOM 261 C ASP A1001 12.812 1.012 32.531 1.00 81.51 C
|
| 262 |
+
ATOM 262 CB ASP A1001 14.491 0.591 30.700 1.00 81.51 C
|
| 263 |
+
ATOM 263 O ASP A1001 11.840 1.732 32.299 1.00 81.51 O
|
| 264 |
+
ATOM 264 CG ASP A1001 15.818 1.002 30.067 1.00 81.51 C
|
| 265 |
+
ATOM 265 OD1 ASP A1001 15.993 2.216 29.823 1.00 81.51 O
|
| 266 |
+
ATOM 266 OD2 ASP A1001 16.659 0.090 29.887 1.00 81.51 O
|
| 267 |
+
ATOM 267 N ARG A1002 12.723 -0.059 33.336 1.00 84.67 N
|
| 268 |
+
ATOM 268 CA ARG A1002 11.487 -0.470 34.026 1.00 84.67 C
|
| 269 |
+
ATOM 269 C ARG A1002 10.941 0.643 34.919 1.00 84.67 C
|
| 270 |
+
ATOM 270 CB ARG A1002 11.725 -1.752 34.847 1.00 84.67 C
|
| 271 |
+
ATOM 271 O ARG A1002 9.738 0.912 34.873 1.00 84.67 O
|
| 272 |
+
ATOM 272 CG ARG A1002 11.917 -2.993 33.965 1.00 84.67 C
|
| 273 |
+
ATOM 273 CD ARG A1002 12.433 -4.196 34.767 1.00 84.67 C
|
| 274 |
+
ATOM 274 NE ARG A1002 12.822 -5.281 33.852 1.00 84.67 N
|
| 275 |
+
ATOM 275 NH1 ARG A1002 10.869 -6.484 33.803 1.00 84.67 N
|
| 276 |
+
ATOM 276 NH2 ARG A1002 12.495 -6.907 32.327 1.00 84.67 N
|
| 277 |
+
ATOM 277 CZ ARG A1002 12.062 -6.226 33.344 1.00 84.67 C
|
| 278 |
+
ATOM 278 N GLN A1003 11.801 1.322 35.683 1.00 83.42 N
|
| 279 |
+
ATOM 279 CA GLN A1003 11.394 2.469 36.498 1.00 83.42 C
|
| 280 |
+
ATOM 280 C GLN A1003 10.915 3.642 35.625 1.00 83.42 C
|
| 281 |
+
ATOM 281 CB GLN A1003 12.531 2.877 37.452 1.00 83.42 C
|
| 282 |
+
ATOM 282 O GLN A1003 9.801 4.132 35.818 1.00 83.42 O
|
| 283 |
+
ATOM 283 CG GLN A1003 12.068 4.039 38.346 1.00 83.42 C
|
| 284 |
+
ATOM 284 CD GLN A1003 13.077 4.493 39.393 1.00 83.42 C
|
| 285 |
+
ATOM 285 NE2 GLN A1003 12.888 5.676 39.929 1.00 83.42 N
|
| 286 |
+
ATOM 286 OE1 GLN A1003 14.023 3.813 39.758 1.00 83.42 O
|
| 287 |
+
ATOM 287 N ILE A1004 11.707 4.052 34.627 1.00 84.03 N
|
| 288 |
+
ATOM 288 CA ILE A1004 11.382 5.183 33.739 1.00 84.03 C
|
| 289 |
+
ATOM 289 C ILE A1004 10.076 4.937 32.961 1.00 84.03 C
|
| 290 |
+
ATOM 290 CB ILE A1004 12.583 5.446 32.796 1.00 84.03 C
|
| 291 |
+
ATOM 291 O ILE A1004 9.290 5.865 32.747 1.00 84.03 O
|
| 292 |
+
ATOM 292 CG1 ILE A1004 13.792 5.984 33.599 1.00 84.03 C
|
| 293 |
+
ATOM 293 CG2 ILE A1004 12.226 6.442 31.673 1.00 84.03 C
|
| 294 |
+
ATOM 294 CD1 ILE A1004 15.116 5.949 32.823 1.00 84.03 C
|
| 295 |
+
ATOM 295 N ILE A1005 9.823 3.695 32.539 1.00 85.06 N
|
| 296 |
+
ATOM 296 CA ILE A1005 8.584 3.297 31.862 1.00 85.06 C
|
| 297 |
+
ATOM 297 C ILE A1005 7.404 3.317 32.840 1.00 85.06 C
|
| 298 |
+
ATOM 298 CB ILE A1005 8.763 1.938 31.144 1.00 85.06 C
|
| 299 |
+
ATOM 299 O ILE A1005 6.359 3.846 32.475 1.00 85.06 O
|
| 300 |
+
ATOM 300 CG1 ILE A1005 9.718 2.106 29.936 1.00 85.06 C
|
| 301 |
+
ATOM 301 CG2 ILE A1005 7.413 1.376 30.655 1.00 85.06 C
|
| 302 |
+
ATOM 302 CD1 ILE A1005 10.276 0.782 29.399 1.00 85.06 C
|
| 303 |
+
ATOM 303 N ASN A1006 7.550 2.830 34.079 1.00 86.75 N
|
| 304 |
+
ATOM 304 CA ASN A1006 6.489 2.914 35.094 1.00 86.75 C
|
| 305 |
+
ATOM 305 C ASN A1006 6.094 4.368 35.409 1.00 86.75 C
|
| 306 |
+
ATOM 306 CB ASN A1006 6.929 2.186 36.379 1.00 86.75 C
|
| 307 |
+
ATOM 307 O ASN A1006 4.906 4.691 35.402 1.00 86.75 O
|
| 308 |
+
ATOM 308 CG ASN A1006 6.649 0.695 36.394 1.00 86.75 C
|
| 309 |
+
ATOM 309 ND2 ASN A1006 7.213 -0.005 37.351 1.00 86.75 N
|
| 310 |
+
ATOM 310 OD1 ASN A1006 5.901 0.136 35.602 1.00 86.75 O
|
| 311 |
+
ATOM 311 N GLU A1007 7.068 5.257 35.629 1.00 87.18 N
|
| 312 |
+
ATOM 312 CA GLU A1007 6.816 6.682 35.905 1.00 87.18 C
|
| 313 |
+
ATOM 313 C GLU A1007 6.053 7.352 34.750 1.00 87.18 C
|
| 314 |
+
ATOM 314 CB GLU A1007 8.152 7.402 36.164 1.00 87.18 C
|
| 315 |
+
ATOM 315 O GLU A1007 5.038 8.023 34.962 1.00 87.18 O
|
| 316 |
+
ATOM 316 CG GLU A1007 8.779 7.018 37.517 1.00 87.18 C
|
| 317 |
+
ATOM 317 CD GLU A1007 10.178 7.621 37.741 1.00 87.18 C
|
| 318 |
+
ATOM 318 OE1 GLU A1007 10.854 7.165 38.696 1.00 87.18 O
|
| 319 |
+
ATOM 319 OE2 GLU A1007 10.569 8.530 36.973 1.00 87.18 O
|
| 320 |
+
ATOM 320 N LYS A1008 6.470 7.101 33.502 1.00 88.08 N
|
| 321 |
+
ATOM 321 CA LYS A1008 5.769 7.612 32.314 1.00 88.08 C
|
| 322 |
+
ATOM 322 C LYS A1008 4.418 6.931 32.077 1.00 88.08 C
|
| 323 |
+
ATOM 323 CB LYS A1008 6.666 7.492 31.080 1.00 88.08 C
|
| 324 |
+
ATOM 324 O LYS A1008 3.511 7.582 31.567 1.00 88.08 O
|
| 325 |
+
ATOM 325 CG LYS A1008 7.893 8.416 31.148 1.00 88.08 C
|
| 326 |
+
ATOM 326 CD LYS A1008 8.836 8.121 29.975 1.00 88.08 C
|
| 327 |
+
ATOM 327 CE LYS A1008 10.156 8.875 30.133 1.00 88.08 C
|
| 328 |
+
ATOM 328 NZ LYS A1008 11.171 8.358 29.182 1.00 88.08 N
|
| 329 |
+
ATOM 329 N MET A1009 4.248 5.662 32.447 1.00 88.41 N
|
| 330 |
+
ATOM 330 CA MET A1009 2.971 4.950 32.325 1.00 88.41 C
|
| 331 |
+
ATOM 331 C MET A1009 1.931 5.492 33.315 1.00 88.41 C
|
| 332 |
+
ATOM 332 CB MET A1009 3.184 3.433 32.480 1.00 88.41 C
|
| 333 |
+
ATOM 333 O MET A1009 0.763 5.627 32.955 1.00 88.41 O
|
| 334 |
+
ATOM 334 CG MET A1009 1.969 2.627 32.003 1.00 88.41 C
|
| 335 |
+
ATOM 335 SD MET A1009 1.627 2.765 30.220 1.00 88.41 S
|
| 336 |
+
ATOM 336 CE MET A1009 2.795 1.549 29.557 1.00 88.41 C
|
| 337 |
+
ATOM 337 N GLN A1010 2.347 5.903 34.518 1.00 87.16 N
|
| 338 |
+
ATOM 338 CA GLN A1010 1.470 6.616 35.450 1.00 87.16 C
|
| 339 |
+
ATOM 339 C GLN A1010 1.086 8.007 34.912 1.00 87.16 C
|
| 340 |
+
ATOM 340 CB GLN A1010 2.127 6.656 36.841 1.00 87.16 C
|
| 341 |
+
ATOM 341 O GLN A1010 -0.098 8.339 34.899 1.00 87.16 O
|
| 342 |
+
ATOM 342 CG GLN A1010 1.264 7.358 37.902 1.00 87.16 C
|
| 343 |
+
ATOM 343 CD GLN A1010 -0.162 6.812 38.013 1.00 87.16 C
|
| 344 |
+
ATOM 344 NE2 GLN A1010 -1.147 7.681 38.034 1.00 87.16 N
|
| 345 |
+
ATOM 345 OE1 GLN A1010 -0.415 5.613 38.068 1.00 87.16 O
|
| 346 |
+
ATOM 346 N LEU A1011 2.033 8.774 34.353 1.00 88.49 N
|
| 347 |
+
ATOM 347 CA LEU A1011 1.716 10.040 33.667 1.00 88.49 C
|
| 348 |
+
ATOM 348 C LEU A1011 0.740 9.841 32.491 1.00 88.49 C
|
| 349 |
+
ATOM 349 CB LEU A1011 3.012 10.717 33.179 1.00 88.49 C
|
| 350 |
+
ATOM 350 O LEU A1011 -0.180 10.639 32.308 1.00 88.49 O
|
| 351 |
+
ATOM 351 CG LEU A1011 3.900 11.301 34.295 1.00 88.49 C
|
| 352 |
+
ATOM 352 CD1 LEU A1011 5.247 11.725 33.707 1.00 88.49 C
|
| 353 |
+
ATOM 353 CD2 LEU A1011 3.267 12.534 34.947 1.00 88.49 C
|
| 354 |
+
ATOM 354 N LEU A1012 0.887 8.762 31.713 1.00 90.77 N
|
| 355 |
+
ATOM 355 CA LEU A1012 -0.074 8.392 30.668 1.00 90.77 C
|
| 356 |
+
ATOM 356 C LEU A1012 -1.460 8.084 31.255 1.00 90.77 C
|
| 357 |
+
ATOM 357 CB LEU A1012 0.458 7.198 29.850 1.00 90.77 C
|
| 358 |
+
ATOM 358 O LEU A1012 -2.451 8.598 30.738 1.00 90.77 O
|
| 359 |
+
ATOM 359 CG LEU A1012 1.567 7.546 28.840 1.00 90.77 C
|
| 360 |
+
ATOM 360 CD1 LEU A1012 2.115 6.261 28.217 1.00 90.77 C
|
| 361 |
+
ATOM 361 CD2 LEU A1012 1.034 8.431 27.712 1.00 90.77 C
|
| 362 |
+
ATOM 362 N LYS A1013 -1.540 7.310 32.346 1.00 89.48 N
|
| 363 |
+
ATOM 363 CA LYS A1013 -2.793 7.001 33.062 1.00 89.48 C
|
| 364 |
+
ATOM 364 C LYS A1013 -3.537 8.277 33.456 1.00 89.48 C
|
| 365 |
+
ATOM 365 CB LYS A1013 -2.457 6.147 34.299 1.00 89.48 C
|
| 366 |
+
ATOM 366 O LYS A1013 -4.729 8.409 33.177 1.00 89.48 O
|
| 367 |
+
ATOM 367 CG LYS A1013 -3.656 5.359 34.847 1.00 89.48 C
|
| 368 |
+
ATOM 368 CD LYS A1013 -3.162 4.389 35.932 1.00 89.48 C
|
| 369 |
+
ATOM 369 CE LYS A1013 -4.287 3.487 36.452 1.00 89.48 C
|
| 370 |
+
ATOM 370 NZ LYS A1013 -3.743 2.390 37.296 1.00 89.48 N
|
| 371 |
+
ATOM 371 N ASP A1014 -2.810 9.242 34.015 1.00 88.83 N
|
| 372 |
+
ATOM 372 CA ASP A1014 -3.357 10.527 34.445 1.00 88.83 C
|
| 373 |
+
ATOM 373 C ASP A1014 -3.786 11.409 33.258 1.00 88.83 C
|
| 374 |
+
ATOM 374 CB ASP A1014 -2.340 11.233 35.360 1.00 88.83 C
|
| 375 |
+
ATOM 375 O ASP A1014 -4.803 12.098 33.348 1.00 88.83 O
|
| 376 |
+
ATOM 376 CG ASP A1014 -2.114 10.475 36.678 1.00 88.83 C
|
| 377 |
+
ATOM 377 OD1 ASP A1014 -3.083 9.855 37.172 1.00 88.83 O
|
| 378 |
+
ATOM 378 OD2 ASP A1014 -0.982 10.509 37.209 1.00 88.83 O
|
| 379 |
+
ATOM 379 N ILE A1015 -3.089 11.355 32.117 1.00 89.98 N
|
| 380 |
+
ATOM 380 CA ILE A1015 -3.499 12.053 30.885 1.00 89.98 C
|
| 381 |
+
ATOM 381 C ILE A1015 -4.766 11.426 30.280 1.00 89.98 C
|
| 382 |
+
ATOM 382 CB ILE A1015 -2.323 12.114 29.880 1.00 89.98 C
|
| 383 |
+
ATOM 383 O ILE A1015 -5.684 12.161 29.902 1.00 89.98 O
|
| 384 |
+
ATOM 384 CG1 ILE A1015 -1.230 13.077 30.404 1.00 89.98 C
|
| 385 |
+
ATOM 385 CG2 ILE A1015 -2.790 12.577 28.485 1.00 89.98 C
|
| 386 |
+
ATOM 386 CD1 ILE A1015 0.117 12.950 29.678 1.00 89.98 C
|
| 387 |
+
ATOM 387 N PHE A1016 -4.863 10.093 30.208 1.00 89.95 N
|
| 388 |
+
ATOM 388 CA PHE A1016 -6.063 9.423 29.692 1.00 89.95 C
|
| 389 |
+
ATOM 389 C PHE A1016 -7.287 9.671 30.585 1.00 89.95 C
|
| 390 |
+
ATOM 390 CB PHE A1016 -5.811 7.926 29.451 1.00 89.95 C
|
| 391 |
+
ATOM 391 O PHE A1016 -8.350 10.015 30.066 1.00 89.95 O
|
| 392 |
+
ATOM 392 CG PHE A1016 -5.224 7.620 28.083 1.00 89.95 C
|
| 393 |
+
ATOM 393 CD1 PHE A1016 -6.071 7.525 26.961 1.00 89.95 C
|
| 394 |
+
ATOM 394 CD2 PHE A1016 -3.840 7.430 27.921 1.00 89.95 C
|
| 395 |
+
ATOM 395 CE1 PHE A1016 -5.536 7.248 25.690 1.00 89.95 C
|
| 396 |
+
ATOM 396 CE2 PHE A1016 -3.302 7.171 26.650 1.00 89.95 C
|
| 397 |
+
ATOM 397 CZ PHE A1016 -4.149 7.076 25.534 1.00 89.95 C
|
| 398 |
+
ATOM 398 N ALA A1017 -7.130 9.586 31.909 1.00 88.40 N
|
| 399 |
+
ATOM 399 CA ALA A1017 -8.217 9.816 32.860 1.00 88.40 C
|
| 400 |
+
ATOM 400 C ALA A1017 -8.655 11.292 32.933 1.00 88.40 C
|
| 401 |
+
ATOM 401 CB ALA A1017 -7.770 9.295 34.232 1.00 88.40 C
|
| 402 |
+
ATOM 402 O ALA A1017 -9.840 11.593 32.795 1.00 88.40 O
|
| 403 |
+
ATOM 403 N ASN A1018 -7.720 12.229 33.135 1.00 86.90 N
|
| 404 |
+
ATOM 404 CA ASN A1018 -8.066 13.625 33.431 1.00 86.90 C
|
| 405 |
+
ATOM 405 C ASN A1018 -8.262 14.477 32.167 1.00 86.90 C
|
| 406 |
+
ATOM 406 CB ASN A1018 -7.004 14.240 34.359 1.00 86.90 C
|
| 407 |
+
ATOM 407 O ASN A1018 -9.211 15.264 32.091 1.00 86.90 O
|
| 408 |
+
ATOM 408 CG ASN A1018 -6.873 13.500 35.679 1.00 86.90 C
|
| 409 |
+
ATOM 409 ND2 ASN A1018 -5.747 12.879 35.931 1.00 86.90 N
|
| 410 |
+
ATOM 410 OD1 ASN A1018 -7.787 13.467 36.484 1.00 86.90 O
|
| 411 |
+
ATOM 411 N ASN A1019 -7.382 14.324 31.171 1.00 85.85 N
|
| 412 |
+
ATOM 412 CA ASN A1019 -7.326 15.230 30.018 1.00 85.85 C
|
| 413 |
+
ATOM 413 C ASN A1019 -8.150 14.710 28.833 1.00 85.85 C
|
| 414 |
+
ATOM 414 CB ASN A1019 -5.864 15.481 29.606 1.00 85.85 C
|
| 415 |
+
ATOM 415 O ASN A1019 -8.893 15.474 28.215 1.00 85.85 O
|
| 416 |
+
ATOM 416 CG ASN A1019 -4.980 16.099 30.675 1.00 85.85 C
|
| 417 |
+
ATOM 417 ND2 ASN A1019 -3.702 16.220 30.402 1.00 85.85 N
|
| 418 |
+
ATOM 418 OD1 ASN A1019 -5.401 16.497 31.744 1.00 85.85 O
|
| 419 |
+
ATOM 419 N LEU A1020 -8.028 13.415 28.519 1.00 86.50 N
|
| 420 |
+
ATOM 420 CA LEU A1020 -8.767 12.762 27.428 1.00 86.50 C
|
| 421 |
+
ATOM 421 C LEU A1020 -10.151 12.257 27.875 1.00 86.50 C
|
| 422 |
+
ATOM 422 CB LEU A1020 -7.906 11.636 26.823 1.00 86.50 C
|
| 423 |
+
ATOM 423 O LEU A1020 -11.041 12.110 27.038 1.00 86.50 O
|
| 424 |
+
ATOM 424 CG LEU A1020 -6.529 12.089 26.291 1.00 86.50 C
|
| 425 |
+
ATOM 425 CD1 LEU A1020 -5.692 10.898 25.822 1.00 86.50 C
|
| 426 |
+
ATOM 426 CD2 LEU A1020 -6.667 13.064 25.120 1.00 86.50 C
|
| 427 |
+
ATOM 427 N LYS A1021 -10.346 12.070 29.190 1.00 86.33 N
|
| 428 |
+
ATOM 428 CA LYS A1021 -11.578 11.578 29.835 1.00 86.33 C
|
| 429 |
+
ATOM 429 C LYS A1021 -12.012 10.184 29.364 1.00 86.33 C
|
| 430 |
+
ATOM 430 CB LYS A1021 -12.701 12.626 29.766 1.00 86.33 C
|
| 431 |
+
ATOM 431 O LYS A1021 -13.206 9.907 29.279 1.00 86.33 O
|
| 432 |
+
ATOM 432 CG LYS A1021 -12.305 13.971 30.385 1.00 86.33 C
|
| 433 |
+
ATOM 433 CD LYS A1021 -13.523 14.900 30.428 1.00 86.33 C
|
| 434 |
+
ATOM 434 CE LYS A1021 -13.106 16.227 31.066 1.00 86.33 C
|
| 435 |
+
ATOM 435 NZ LYS A1021 -14.280 17.092 31.338 1.00 86.33 N
|
| 436 |
+
ATOM 436 N SER A1022 -11.046 9.321 29.059 1.00 88.57 N
|
| 437 |
+
ATOM 437 CA SER A1022 -11.279 7.915 28.711 1.00 88.57 C
|
| 438 |
+
ATOM 438 C SER A1022 -11.570 7.066 29.949 1.00 88.57 C
|
| 439 |
+
ATOM 439 CB SER A1022 -10.075 7.341 27.962 1.00 88.57 C
|
| 440 |
+
ATOM 440 O SER A1022 -11.075 7.350 31.042 1.00 88.57 O
|
| 441 |
+
ATOM 441 OG SER A1022 -9.857 8.070 26.770 1.00 88.57 O
|
| 442 |
+
ATOM 442 N ALA A1023 -12.346 5.995 29.778 1.00 88.58 N
|
| 443 |
+
ATOM 443 CA ALA A1023 -12.667 5.078 30.866 1.00 88.58 C
|
| 444 |
+
ATOM 444 C ALA A1023 -11.481 4.136 31.135 1.00 88.58 C
|
| 445 |
+
ATOM 445 CB ALA A1023 -13.959 4.330 30.510 1.00 88.58 C
|
| 446 |
+
ATOM 446 O ALA A1023 -11.199 3.245 30.335 1.00 88.58 O
|
| 447 |
+
ATOM 447 N ILE A1024 -10.772 4.324 32.251 1.00 89.17 N
|
| 448 |
+
ATOM 448 CA ILE A1024 -9.669 3.433 32.634 1.00 89.17 C
|
| 449 |
+
ATOM 449 C ILE A1024 -10.237 2.112 33.165 1.00 89.17 C
|
| 450 |
+
ATOM 450 CB ILE A1024 -8.707 4.093 33.645 1.00 89.17 C
|
| 451 |
+
ATOM 451 O ILE A1024 -10.964 2.112 34.157 1.00 89.17 O
|
| 452 |
+
ATOM 452 CG1 ILE A1024 -8.177 5.469 33.181 1.00 89.17 C
|
| 453 |
+
ATOM 453 CG2 ILE A1024 -7.525 3.154 33.954 1.00 89.17 C
|
| 454 |
+
ATOM 454 CD1 ILE A1024 -7.462 5.489 31.824 1.00 89.17 C
|
| 455 |
+
ATOM 455 N SER A1025 -9.887 0.996 32.523 1.00 86.70 N
|
| 456 |
+
ATOM 456 CA SER A1025 -10.294 -0.353 32.928 1.00 86.70 C
|
| 457 |
+
ATOM 457 C SER A1025 -9.138 -1.134 33.551 1.00 86.70 C
|
| 458 |
+
ATOM 458 CB SER A1025 -10.853 -1.136 31.742 1.00 86.70 C
|
| 459 |
+
ATOM 459 O SER A1025 -8.027 -1.176 33.013 1.00 86.70 O
|
| 460 |
+
ATOM 460 OG SER A1025 -11.274 -2.411 32.192 1.00 86.70 O
|
| 461 |
+
ATOM 461 N ASN A1026 -9.435 -1.824 34.653 1.00 83.46 N
|
| 462 |
+
ATOM 462 CA ASN A1026 -8.529 -2.798 35.261 1.00 83.46 C
|
| 463 |
+
ATOM 463 C ASN A1026 -8.502 -4.128 34.481 1.00 83.46 C
|
| 464 |
+
ATOM 464 CB ASN A1026 -8.946 -3.024 36.726 1.00 83.46 C
|
| 465 |
+
ATOM 465 O ASN A1026 -7.515 -4.851 34.569 1.00 83.46 O
|
| 466 |
+
ATOM 466 CG ASN A1026 -8.828 -1.800 37.622 1.00 83.46 C
|
| 467 |
+
ATOM 467 ND2 ASN A1026 -9.460 -1.842 38.772 1.00 83.46 N
|
| 468 |
+
ATOM 468 OD1 ASN A1026 -8.186 -0.803 37.333 1.00 83.46 O
|
| 469 |
+
ATOM 469 N ASN A1027 -9.551 -4.449 33.708 1.00 84.58 N
|
| 470 |
+
ATOM 470 CA ASN A1027 -9.609 -5.661 32.887 1.00 84.58 C
|
| 471 |
+
ATOM 471 C ASN A1027 -9.245 -5.352 31.425 1.00 84.58 C
|
| 472 |
+
ATOM 472 CB ASN A1027 -10.988 -6.340 33.019 1.00 84.58 C
|
| 473 |
+
ATOM 473 O ASN A1027 -10.003 -4.699 30.695 1.00 84.58 O
|
| 474 |
+
ATOM 474 CG ASN A1027 -11.024 -7.694 32.319 1.00 84.58 C
|
| 475 |
+
ATOM 475 ND2 ASN A1027 -12.136 -8.378 32.314 1.00 84.58 N
|
| 476 |
+
ATOM 476 OD1 ASN A1027 -10.048 -8.150 31.738 1.00 84.58 O
|
| 477 |
+
ATOM 477 N PHE A1028 -8.101 -5.866 30.968 1.00 86.68 N
|
| 478 |
+
ATOM 478 CA PHE A1028 -7.662 -5.700 29.582 1.00 86.68 C
|
| 479 |
+
ATOM 479 C PHE A1028 -8.526 -6.487 28.581 1.00 86.68 C
|
| 480 |
+
ATOM 480 CB PHE A1028 -6.167 -6.031 29.455 1.00 86.68 C
|
| 481 |
+
ATOM 481 O PHE A1028 -8.692 -6.020 27.457 1.00 86.68 O
|
| 482 |
+
ATOM 482 CG PHE A1028 -5.800 -7.485 29.688 1.00 86.68 C
|
| 483 |
+
ATOM 483 CD1 PHE A1028 -5.347 -7.910 30.953 1.00 86.68 C
|
| 484 |
+
ATOM 484 CD2 PHE A1028 -5.905 -8.416 28.635 1.00 86.68 C
|
| 485 |
+
ATOM 485 CE1 PHE A1028 -5.018 -9.261 31.165 1.00 86.68 C
|
| 486 |
+
ATOM 486 CE2 PHE A1028 -5.573 -9.766 28.849 1.00 86.68 C
|
| 487 |
+
ATOM 487 CZ PHE A1028 -5.137 -10.187 30.117 1.00 86.68 C
|
| 488 |
+
ATOM 488 N ARG A1029 -9.145 -7.617 28.973 1.00 83.02 N
|
| 489 |
+
ATOM 489 CA ARG A1029 -9.979 -8.447 28.072 1.00 83.02 C
|
| 490 |
+
ATOM 490 C ARG A1029 -11.281 -7.764 27.634 1.00 83.02 C
|
| 491 |
+
ATOM 491 CB ARG A1029 -10.280 -9.820 28.709 1.00 83.02 C
|
| 492 |
+
ATOM 492 O ARG A1029 -11.840 -8.122 26.601 1.00 83.02 O
|
| 493 |
+
ATOM 493 CG ARG A1029 -9.053 -10.747 28.798 1.00 83.02 C
|
| 494 |
+
ATOM 494 CD ARG A1029 -9.441 -12.141 29.328 1.00 83.02 C
|
| 495 |
+
ATOM 495 NE ARG A1029 -8.347 -13.133 29.182 1.00 83.02 N
|
| 496 |
+
ATOM 496 NH1 ARG A1029 -9.039 -14.149 27.234 1.00 83.02 N
|
| 497 |
+
ATOM 497 NH2 ARG A1029 -7.192 -14.864 28.202 1.00 83.02 N
|
| 498 |
+
ATOM 498 CZ ARG A1029 -8.199 -14.040 28.222 1.00 83.02 C
|
| 499 |
+
ATOM 499 N GLU A1030 -11.757 -6.782 28.396 1.00 82.68 N
|
| 500 |
+
ATOM 500 CA GLU A1030 -12.948 -5.984 28.067 1.00 82.68 C
|
| 501 |
+
ATOM 501 C GLU A1030 -12.618 -4.677 27.326 1.00 82.68 C
|
| 502 |
+
ATOM 502 CB GLU A1030 -13.722 -5.688 29.359 1.00 82.68 C
|
| 503 |
+
ATOM 503 O GLU A1030 -13.519 -4.028 26.791 1.00 82.68 O
|
| 504 |
+
ATOM 504 CG GLU A1030 -14.451 -6.933 29.886 1.00 82.68 C
|
| 505 |
+
ATOM 505 CD GLU A1030 -14.997 -6.690 31.297 1.00 82.68 C
|
| 506 |
+
ATOM 506 OE1 GLU A1030 -14.717 -7.541 32.170 1.00 82.68 O
|
| 507 |
+
ATOM 507 OE2 GLU A1030 -15.630 -5.633 31.502 1.00 82.68 O
|
| 508 |
+
ATOM 508 N SER A1031 -11.344 -4.281 27.273 1.00 86.49 N
|
| 509 |
+
ATOM 509 CA SER A1031 -10.928 -2.934 26.865 1.00 86.49 C
|
| 510 |
+
ATOM 510 C SER A1031 -10.881 -2.723 25.349 1.00 86.49 C
|
| 511 |
+
ATOM 511 CB SER A1031 -9.583 -2.584 27.495 1.00 86.49 C
|
| 512 |
+
ATOM 512 O SER A1031 -10.541 -3.621 24.582 1.00 86.49 O
|
| 513 |
+
ATOM 513 OG SER A1031 -9.738 -2.520 28.898 1.00 86.49 O
|
| 514 |
+
ATOM 514 N ASP A1032 -11.185 -1.504 24.899 1.00 87.94 N
|
| 515 |
+
ATOM 515 CA ASP A1032 -11.119 -1.118 23.481 1.00 87.94 C
|
| 516 |
+
ATOM 516 C ASP A1032 -9.683 -0.797 23.033 1.00 87.94 C
|
| 517 |
+
ATOM 517 CB ASP A1032 -12.016 0.100 23.230 1.00 87.94 C
|
| 518 |
+
ATOM 518 O ASP A1032 -9.312 -1.054 21.884 1.00 87.94 O
|
| 519 |
+
ATOM 519 CG ASP A1032 -13.455 -0.115 23.686 1.00 87.94 C
|
| 520 |
+
ATOM 520 OD1 ASP A1032 -14.107 -1.054 23.183 1.00 87.94 O
|
| 521 |
+
ATOM 521 OD2 ASP A1032 -13.891 0.617 24.601 1.00 87.94 O
|
| 522 |
+
ATOM 522 N ILE A1033 -8.865 -0.247 23.939 1.00 90.54 N
|
| 523 |
+
ATOM 523 CA ILE A1033 -7.431 0.006 23.751 1.00 90.54 C
|
| 524 |
+
ATOM 524 C ILE A1033 -6.648 -0.625 24.908 1.00 90.54 C
|
| 525 |
+
ATOM 525 CB ILE A1033 -7.127 1.518 23.600 1.00 90.54 C
|
| 526 |
+
ATOM 526 O ILE A1033 -7.009 -0.477 26.075 1.00 90.54 O
|
| 527 |
+
ATOM 527 CG1 ILE A1033 -7.930 2.128 22.425 1.00 90.54 C
|
| 528 |
+
ATOM 528 CG2 ILE A1033 -5.614 1.757 23.403 1.00 90.54 C
|
| 529 |
+
ATOM 529 CD1 ILE A1033 -7.687 3.624 22.183 1.00 90.54 C
|
| 530 |
+
ATOM 530 N ILE A1034 -5.551 -1.304 24.573 1.00 92.36 N
|
| 531 |
+
ATOM 531 CA ILE A1034 -4.642 -1.957 25.519 1.00 92.36 C
|
| 532 |
+
ATOM 532 C ILE A1034 -3.250 -1.358 25.316 1.00 92.36 C
|
| 533 |
+
ATOM 533 CB ILE A1034 -4.668 -3.491 25.321 1.00 92.36 C
|
| 534 |
+
ATOM 534 O ILE A1034 -2.669 -1.490 24.237 1.00 92.36 O
|
| 535 |
+
ATOM 535 CG1 ILE A1034 -6.098 -4.042 25.533 1.00 92.36 C
|
| 536 |
+
ATOM 536 CG2 ILE A1034 -3.687 -4.172 26.291 1.00 92.36 C
|
| 537 |
+
ATOM 537 CD1 ILE A1034 -6.250 -5.523 25.180 1.00 92.36 C
|
| 538 |
+
ATOM 538 N ILE A1035 -2.733 -0.676 26.338 1.00 93.03 N
|
| 539 |
+
ATOM 539 CA ILE A1035 -1.436 0.008 26.318 1.00 93.03 C
|
| 540 |
+
ATOM 540 C ILE A1035 -0.377 -0.899 26.956 1.00 93.03 C
|
| 541 |
+
ATOM 541 CB ILE A1035 -1.528 1.403 26.980 1.00 93.03 C
|
| 542 |
+
ATOM 542 O ILE A1035 -0.514 -1.315 28.108 1.00 93.03 O
|
| 543 |
+
ATOM 543 CG1 ILE A1035 -2.532 2.302 26.216 1.00 93.03 C
|
| 544 |
+
ATOM 544 CG2 ILE A1035 -0.139 2.070 27.015 1.00 93.03 C
|
| 545 |
+
ATOM 545 CD1 ILE A1035 -2.880 3.617 26.924 1.00 93.03 C
|
| 546 |
+
ATOM 546 N LEU A1036 0.678 -1.191 26.194 1.00 91.96 N
|
| 547 |
+
ATOM 547 CA LEU A1036 1.777 -2.090 26.555 1.00 91.96 C
|
| 548 |
+
ATOM 548 C LEU A1036 3.029 -1.311 26.985 1.00 91.96 C
|
| 549 |
+
ATOM 549 CB LEU A1036 2.097 -3.007 25.358 1.00 91.96 C
|
| 550 |
+
ATOM 550 O LEU A1036 3.284 -0.212 26.489 1.00 91.96 O
|
| 551 |
+
ATOM 551 CG LEU A1036 0.912 -3.795 24.772 1.00 91.96 C
|
| 552 |
+
ATOM 552 CD1 LEU A1036 1.402 -4.690 23.631 1.00 91.96 C
|
| 553 |
+
ATOM 553 CD2 LEU A1036 0.256 -4.679 25.825 1.00 91.96 C
|
| 554 |
+
ATOM 554 N LYS A1037 3.855 -1.906 27.855 1.00 89.12 N
|
| 555 |
+
ATOM 555 CA LYS A1037 5.153 -1.350 28.294 1.00 89.12 C
|
| 556 |
+
ATOM 556 C LYS A1037 6.286 -1.549 27.267 1.00 89.12 C
|
| 557 |
+
ATOM 557 CB LYS A1037 5.512 -1.892 29.698 1.00 89.12 C
|
| 558 |
+
ATOM 558 O LYS A1037 7.340 -0.943 27.421 1.00 89.12 O
|
| 559 |
+
ATOM 559 CG LYS A1037 4.548 -1.362 30.779 1.00 89.12 C
|
| 560 |
+
ATOM 560 CD LYS A1037 4.894 -1.814 32.207 1.00 89.12 C
|
| 561 |
+
ATOM 561 CE LYS A1037 3.825 -1.303 33.186 1.00 89.12 C
|
| 562 |
+
ATOM 562 NZ LYS A1037 4.059 -1.763 34.578 1.00 89.12 N
|
| 563 |
+
ATOM 563 N GLY A1038 6.055 -2.331 26.208 1.00 85.97 N
|
| 564 |
+
ATOM 564 CA GLY A1038 6.953 -2.541 25.059 1.00 85.97 C
|
| 565 |
+
ATOM 565 C GLY A1038 6.178 -2.833 23.766 1.00 85.97 C
|
| 566 |
+
ATOM 566 O GLY A1038 4.987 -2.519 23.689 1.00 85.97 O
|
| 567 |
+
ATOM 567 N GLU A1039 6.825 -3.438 22.767 1.00 87.20 N
|
| 568 |
+
ATOM 568 CA GLU A1039 6.140 -4.016 21.597 1.00 87.20 C
|
| 569 |
+
ATOM 569 C GLU A1039 5.666 -5.452 21.902 1.00 87.20 C
|
| 570 |
+
ATOM 570 CB GLU A1039 7.031 -3.955 20.341 1.00 87.20 C
|
| 571 |
+
ATOM 571 O GLU A1039 6.185 -6.121 22.800 1.00 87.20 O
|
| 572 |
+
ATOM 572 CG GLU A1039 7.434 -2.529 19.903 1.00 87.20 C
|
| 573 |
+
ATOM 573 CD GLU A1039 6.256 -1.600 19.553 1.00 87.20 C
|
| 574 |
+
ATOM 574 OE1 GLU A1039 6.424 -0.355 19.638 1.00 87.20 O
|
| 575 |
+
ATOM 575 OE2 GLU A1039 5.139 -2.081 19.251 1.00 87.20 O
|
| 576 |
+
ATOM 576 N ILE A1040 4.642 -5.943 21.193 1.00 84.90 N
|
| 577 |
+
ATOM 577 CA ILE A1040 3.998 -7.235 21.513 1.00 84.90 C
|
| 578 |
+
ATOM 578 C ILE A1040 4.926 -8.434 21.251 1.00 84.90 C
|
| 579 |
+
ATOM 579 CB ILE A1040 2.631 -7.356 20.796 1.00 84.90 C
|
| 580 |
+
ATOM 580 O ILE A1040 4.812 -9.480 21.895 1.00 84.90 O
|
| 581 |
+
ATOM 581 CG1 ILE A1040 1.807 -8.597 21.210 1.00 84.90 C
|
| 582 |
+
ATOM 582 CG2 ILE A1040 2.761 -7.358 19.263 1.00 84.90 C
|
| 583 |
+
ATOM 583 CD1 ILE A1040 1.469 -8.667 22.704 1.00 84.90 C
|
| 584 |
+
ATOM 584 N GLU A1041 5.889 -8.279 20.348 1.00 83.94 N
|
| 585 |
+
ATOM 585 CA GLU A1041 6.944 -9.230 20.005 1.00 83.94 C
|
| 586 |
+
ATOM 586 C GLU A1041 7.818 -9.609 21.212 1.00 83.94 C
|
| 587 |
+
ATOM 587 CB GLU A1041 7.825 -8.617 18.900 1.00 83.94 C
|
| 588 |
+
ATOM 588 O GLU A1041 8.209 -10.778 21.328 1.00 83.94 O
|
| 589 |
+
ATOM 589 CG GLU A1041 7.188 -8.634 17.498 1.00 83.94 C
|
| 590 |
+
ATOM 590 CD GLU A1041 5.927 -7.766 17.334 1.00 83.94 C
|
| 591 |
+
ATOM 591 OE1 GLU A1041 5.092 -8.153 16.486 1.00 83.94 O
|
| 592 |
+
ATOM 592 OE2 GLU A1041 5.775 -6.765 18.070 1.00 83.94 O
|
| 593 |
+
ATOM 593 N ASP A1042 8.050 -8.680 22.135 1.00 85.30 N
|
| 594 |
+
ATOM 594 CA ASP A1042 9.078 -8.793 23.182 1.00 85.30 C
|
| 595 |
+
ATOM 595 C ASP A1042 8.549 -9.434 24.475 1.00 85.30 C
|
| 596 |
+
ATOM 596 CB ASP A1042 9.667 -7.402 23.449 1.00 85.30 C
|
| 597 |
+
ATOM 597 O ASP A1042 9.313 -9.856 25.337 1.00 85.30 O
|
| 598 |
+
ATOM 598 CG ASP A1042 10.101 -6.668 22.178 1.00 85.30 C
|
| 599 |
+
ATOM 599 OD1 ASP A1042 10.539 -7.356 21.224 1.00 85.30 O
|
| 600 |
+
ATOM 600 OD2 ASP A1042 9.909 -5.431 22.162 1.00 85.30 O
|
| 601 |
+
ATOM 601 N TYR A1043 7.227 -9.557 24.610 1.00 86.54 N
|
| 602 |
+
ATOM 602 CA TYR A1043 6.597 -10.295 25.705 1.00 86.54 C
|
| 603 |
+
ATOM 603 C TYR A1043 6.864 -11.813 25.596 1.00 86.54 C
|
| 604 |
+
ATOM 604 CB TYR A1043 5.099 -9.963 25.749 1.00 86.54 C
|
| 605 |
+
ATOM 605 O TYR A1043 6.893 -12.352 24.479 1.00 86.54 O
|
| 606 |
+
ATOM 606 CG TYR A1043 4.827 -8.596 26.347 1.00 86.54 C
|
| 607 |
+
ATOM 607 CD1 TYR A1043 4.533 -8.489 27.716 1.00 86.54 C
|
| 608 |
+
ATOM 608 CD2 TYR A1043 4.925 -7.430 25.563 1.00 86.54 C
|
| 609 |
+
ATOM 609 CE1 TYR A1043 4.359 -7.224 28.296 1.00 86.54 C
|
| 610 |
+
ATOM 610 CE2 TYR A1043 4.739 -6.158 26.143 1.00 86.54 C
|
| 611 |
+
ATOM 611 OH TYR A1043 4.285 -4.846 28.126 1.00 86.54 O
|
| 612 |
+
ATOM 612 CZ TYR A1043 4.456 -6.053 27.522 1.00 86.54 C
|
| 613 |
+
ATOM 613 N PRO A1044 7.020 -12.543 26.717 1.00 83.50 N
|
| 614 |
+
ATOM 614 CA PRO A1044 7.203 -13.995 26.698 1.00 83.50 C
|
| 615 |
+
ATOM 615 C PRO A1044 5.940 -14.709 26.191 1.00 83.50 C
|
| 616 |
+
ATOM 616 CB PRO A1044 7.552 -14.377 28.140 1.00 83.50 C
|
| 617 |
+
ATOM 617 O PRO A1044 4.826 -14.225 26.363 1.00 83.50 O
|
| 618 |
+
ATOM 618 CG PRO A1044 6.860 -13.295 28.970 1.00 83.50 C
|
| 619 |
+
ATOM 619 CD PRO A1044 6.986 -12.053 28.089 1.00 83.50 C
|
| 620 |
+
ATOM 620 N MET A1045 6.079 -15.892 25.585 1.00 80.87 N
|
| 621 |
+
ATOM 621 CA MET A1045 4.923 -16.643 25.048 1.00 80.87 C
|
| 622 |
+
ATOM 622 C MET A1045 3.923 -17.104 26.127 1.00 80.87 C
|
| 623 |
+
ATOM 623 CB MET A1045 5.408 -17.850 24.228 1.00 80.87 C
|
| 624 |
+
ATOM 624 O MET A1045 2.799 -17.461 25.791 1.00 80.87 O
|
| 625 |
+
ATOM 625 CG MET A1045 6.116 -17.449 22.926 1.00 80.87 C
|
| 626 |
+
ATOM 626 SD MET A1045 5.097 -16.605 21.676 1.00 80.87 S
|
| 627 |
+
ATOM 627 CE MET A1045 3.986 -17.955 21.180 1.00 80.87 C
|
| 628 |
+
ATOM 628 N SER A1046 4.328 -17.085 27.399 1.00 80.67 N
|
| 629 |
+
ATOM 629 CA SER A1046 3.512 -17.389 28.580 1.00 80.67 C
|
| 630 |
+
ATOM 630 C SER A1046 2.793 -16.176 29.191 1.00 80.67 C
|
| 631 |
+
ATOM 631 CB SER A1046 4.414 -18.032 29.640 1.00 80.67 C
|
| 632 |
+
ATOM 632 O SER A1046 2.087 -16.351 30.178 1.00 80.67 O
|
| 633 |
+
ATOM 633 OG SER A1046 5.553 -17.216 29.875 1.00 80.67 O
|
| 634 |
+
ATOM 634 N SER A1047 2.978 -14.962 28.655 1.00 85.31 N
|
| 635 |
+
ATOM 635 CA SER A1047 2.296 -13.750 29.139 1.00 85.31 C
|
| 636 |
+
ATOM 636 C SER A1047 0.806 -13.773 28.782 1.00 85.31 C
|
| 637 |
+
ATOM 637 CB SER A1047 3.021 -12.493 28.627 1.00 85.31 C
|
| 638 |
+
ATOM 638 O SER A1047 0.427 -14.214 27.689 1.00 85.31 O
|
| 639 |
+
ATOM 639 OG SER A1047 2.174 -11.537 28.026 1.00 85.31 O
|
| 640 |
+
ATOM 640 N GLU A1048 -0.053 -13.268 29.674 1.00 85.36 N
|
| 641 |
+
ATOM 641 CA GLU A1048 -1.504 -13.280 29.446 1.00 85.36 C
|
| 642 |
+
ATOM 642 C GLU A1048 -1.888 -12.405 28.249 1.00 85.36 C
|
| 643 |
+
ATOM 643 CB GLU A1048 -2.271 -12.789 30.677 1.00 85.36 C
|
| 644 |
+
ATOM 644 O GLU A1048 -2.768 -12.762 27.461 1.00 85.36 O
|
| 645 |
+
ATOM 645 CG GLU A1048 -2.117 -13.677 31.920 1.00 85.36 C
|
| 646 |
+
ATOM 646 CD GLU A1048 -3.110 -13.302 33.038 1.00 85.36 C
|
| 647 |
+
ATOM 647 OE1 GLU A1048 -3.006 -13.918 34.121 1.00 85.36 O
|
| 648 |
+
ATOM 648 OE2 GLU A1048 -4.005 -12.456 32.789 1.00 85.36 O
|
| 649 |
+
ATOM 649 N ILE A1049 -1.166 -11.294 28.060 1.00 88.10 N
|
| 650 |
+
ATOM 650 CA ILE A1049 -1.297 -10.404 26.902 1.00 88.10 C
|
| 651 |
+
ATOM 651 C ILE A1049 -1.012 -11.171 25.611 1.00 88.10 C
|
| 652 |
+
ATOM 652 CB ILE A1049 -0.316 -9.214 27.002 1.00 88.10 C
|
| 653 |
+
ATOM 653 O ILE A1049 -1.750 -11.032 24.635 1.00 88.10 O
|
| 654 |
+
ATOM 654 CG1 ILE A1049 -0.425 -8.480 28.353 1.00 88.10 C
|
| 655 |
+
ATOM 655 CG2 ILE A1049 -0.546 -8.218 25.848 1.00 88.10 C
|
| 656 |
+
ATOM 656 CD1 ILE A1049 0.628 -7.378 28.502 1.00 88.10 C
|
| 657 |
+
ATOM 657 N LYS A1050 0.050 -11.986 25.588 1.00 85.28 N
|
| 658 |
+
ATOM 658 CA LYS A1050 0.467 -12.715 24.384 1.00 85.28 C
|
| 659 |
+
ATOM 659 C LYS A1050 -0.506 -13.831 24.028 1.00 85.28 C
|
| 660 |
+
ATOM 660 CB LYS A1050 1.890 -13.245 24.586 1.00 85.28 C
|
| 661 |
+
ATOM 661 O LYS A1050 -0.822 -14.018 22.853 1.00 85.28 O
|
| 662 |
+
ATOM 662 CG LYS A1050 2.568 -13.524 23.230 1.00 85.28 C
|
| 663 |
+
ATOM 663 CD LYS A1050 3.962 -12.903 23.253 1.00 85.28 C
|
| 664 |
+
ATOM 664 CE LYS A1050 4.673 -12.937 21.906 1.00 85.28 C
|
| 665 |
+
ATOM 665 NZ LYS A1050 5.825 -12.019 21.984 1.00 85.28 N
|
| 666 |
+
ATOM 666 N ILE A1051 -1.027 -14.522 25.040 1.00 85.83 N
|
| 667 |
+
ATOM 667 CA ILE A1051 -2.106 -15.502 24.889 1.00 85.83 C
|
| 668 |
+
ATOM 668 C ILE A1051 -3.353 -14.807 24.320 1.00 85.83 C
|
| 669 |
+
ATOM 669 CB ILE A1051 -2.354 -16.221 26.236 1.00 85.83 C
|
| 670 |
+
ATOM 670 O ILE A1051 -3.857 -15.224 23.280 1.00 85.83 O
|
| 671 |
+
ATOM 671 CG1 ILE A1051 -1.111 -17.057 26.636 1.00 85.83 C
|
| 672 |
+
ATOM 672 CG2 ILE A1051 -3.592 -17.132 26.150 1.00 85.83 C
|
| 673 |
+
ATOM 673 CD1 ILE A1051 -1.117 -17.519 28.098 1.00 85.83 C
|
| 674 |
+
ATOM 674 N TYR A1052 -3.790 -13.691 24.911 1.00 87.32 N
|
| 675 |
+
ATOM 675 CA TYR A1052 -4.982 -12.957 24.470 1.00 87.32 C
|
| 676 |
+
ATOM 676 C TYR A1052 -4.840 -12.316 23.075 1.00 87.32 C
|
| 677 |
+
ATOM 677 CB TYR A1052 -5.328 -11.915 25.539 1.00 87.32 C
|
| 678 |
+
ATOM 678 O TYR A1052 -5.783 -12.333 22.284 1.00 87.32 O
|
| 679 |
+
ATOM 679 CG TYR A1052 -6.576 -11.108 25.240 1.00 87.32 C
|
| 680 |
+
ATOM 680 CD1 TYR A1052 -6.496 -9.707 25.131 1.00 87.32 C
|
| 681 |
+
ATOM 681 CD2 TYR A1052 -7.813 -11.760 25.058 1.00 87.32 C
|
| 682 |
+
ATOM 682 CE1 TYR A1052 -7.651 -8.963 24.832 1.00 87.32 C
|
| 683 |
+
ATOM 683 CE2 TYR A1052 -8.974 -11.014 24.776 1.00 87.32 C
|
| 684 |
+
ATOM 684 OH TYR A1052 -9.985 -8.860 24.379 1.00 87.32 O
|
| 685 |
+
ATOM 685 CZ TYR A1052 -8.889 -9.610 24.656 1.00 87.32 C
|
| 686 |
+
ATOM 686 N TYR A1053 -3.652 -11.820 22.715 1.00 87.58 N
|
| 687 |
+
ATOM 687 CA TYR A1053 -3.351 -11.355 21.357 1.00 87.58 C
|
| 688 |
+
ATOM 688 C TYR A1053 -3.538 -12.483 20.329 1.00 87.58 C
|
| 689 |
+
ATOM 689 CB TYR A1053 -1.920 -10.799 21.323 1.00 87.58 C
|
| 690 |
+
ATOM 690 O TYR A1053 -4.194 -12.294 19.303 1.00 87.58 O
|
| 691 |
+
ATOM 691 CG TYR A1053 -1.506 -10.246 19.973 1.00 87.58 C
|
| 692 |
+
ATOM 692 CD1 TYR A1053 -0.927 -11.092 19.006 1.00 87.58 C
|
| 693 |
+
ATOM 693 CD2 TYR A1053 -1.708 -8.883 19.686 1.00 87.58 C
|
| 694 |
+
ATOM 694 CE1 TYR A1053 -0.565 -10.576 17.747 1.00 87.58 C
|
| 695 |
+
ATOM 695 CE2 TYR A1053 -1.331 -8.358 18.435 1.00 87.58 C
|
| 696 |
+
ATOM 696 OH TYR A1053 -0.427 -8.725 16.241 1.00 87.58 O
|
| 697 |
+
ATOM 697 CZ TYR A1053 -0.762 -9.210 17.464 1.00 87.58 C
|
| 698 |
+
ATOM 698 N ASN A1054 -3.033 -13.683 20.635 1.00 85.93 N
|
| 699 |
+
ATOM 699 CA ASN A1054 -3.209 -14.863 19.789 1.00 85.93 C
|
| 700 |
+
ATOM 700 C ASN A1054 -4.671 -15.358 19.772 1.00 85.93 C
|
| 701 |
+
ATOM 701 CB ASN A1054 -2.230 -15.956 20.256 1.00 85.93 C
|
| 702 |
+
ATOM 702 O ASN A1054 -5.151 -15.791 18.726 1.00 85.93 O
|
| 703 |
+
ATOM 703 CG ASN A1054 -0.766 -15.602 20.042 1.00 85.93 C
|
| 704 |
+
ATOM 704 ND2 ASN A1054 0.119 -16.139 20.848 1.00 85.93 N
|
| 705 |
+
ATOM 705 OD1 ASN A1054 -0.382 -14.874 19.141 1.00 85.93 O
|
| 706 |
+
ATOM 706 N GLU A1055 -5.414 -15.267 20.883 1.00 84.57 N
|
| 707 |
+
ATOM 707 CA GLU A1055 -6.861 -15.554 20.912 1.00 84.57 C
|
| 708 |
+
ATOM 708 C GLU A1055 -7.644 -14.641 19.952 1.00 84.57 C
|
| 709 |
+
ATOM 709 CB GLU A1055 -7.452 -15.377 22.325 1.00 84.57 C
|
| 710 |
+
ATOM 710 O GLU A1055 -8.538 -15.120 19.252 1.00 84.57 O
|
| 711 |
+
ATOM 711 CG GLU A1055 -7.108 -16.453 23.371 1.00 84.57 C
|
| 712 |
+
ATOM 712 CD GLU A1055 -7.689 -16.084 24.754 1.00 84.57 C
|
| 713 |
+
ATOM 713 OE1 GLU A1055 -7.067 -16.358 25.803 1.00 84.57 O
|
| 714 |
+
ATOM 714 OE2 GLU A1055 -8.788 -15.486 24.812 1.00 84.57 O
|
| 715 |
+
ATOM 715 N LEU A1056 -7.307 -13.345 19.899 1.00 83.18 N
|
| 716 |
+
ATOM 716 CA LEU A1056 -7.974 -12.357 19.042 1.00 83.18 C
|
| 717 |
+
ATOM 717 C LEU A1056 -7.627 -12.515 17.556 1.00 83.18 C
|
| 718 |
+
ATOM 718 CB LEU A1056 -7.630 -10.938 19.531 1.00 83.18 C
|
| 719 |
+
ATOM 719 O LEU A1056 -8.517 -12.397 16.717 1.00 83.18 O
|
| 720 |
+
ATOM 720 CG LEU A1056 -8.357 -10.502 20.816 1.00 83.18 C
|
| 721 |
+
ATOM 721 CD1 LEU A1056 -7.804 -9.147 21.250 1.00 83.18 C
|
| 722 |
+
ATOM 722 CD2 LEU A1056 -9.866 -10.349 20.608 1.00 83.18 C
|
| 723 |
+
ATOM 723 N GLN A1057 -6.372 -12.827 17.213 1.00 79.74 N
|
| 724 |
+
ATOM 724 CA GLN A1057 -5.981 -13.099 15.818 1.00 79.74 C
|
| 725 |
+
ATOM 725 C GLN A1057 -6.711 -14.325 15.234 1.00 79.74 C
|
| 726 |
+
ATOM 726 CB GLN A1057 -4.457 -13.298 15.731 1.00 79.74 C
|
| 727 |
+
ATOM 727 O GLN A1057 -6.983 -14.373 14.037 1.00 79.74 O
|
| 728 |
+
ATOM 728 CG GLN A1057 -3.632 -12.021 15.974 1.00 79.74 C
|
| 729 |
+
ATOM 729 CD GLN A1057 -3.696 -10.986 14.851 1.00 79.74 C
|
| 730 |
+
ATOM 730 NE2 GLN A1057 -2.914 -9.933 14.925 1.00 79.74 N
|
| 731 |
+
ATOM 731 OE1 GLN A1057 -4.426 -11.078 13.879 1.00 79.74 O
|
| 732 |
+
ATOM 732 N ASN A1058 -7.071 -15.296 16.081 1.00 75.56 N
|
| 733 |
+
ATOM 733 CA ASN A1058 -7.731 -16.541 15.677 1.00 75.56 C
|
| 734 |
+
ATOM 734 C ASN A1058 -9.276 -16.485 15.688 1.00 75.56 C
|
| 735 |
+
ATOM 735 CB ASN A1058 -7.183 -17.673 16.564 1.00 75.56 C
|
| 736 |
+
ATOM 736 O ASN A1058 -9.914 -17.489 15.368 1.00 75.56 O
|
| 737 |
+
ATOM 737 CG ASN A1058 -5.736 -18.020 16.256 1.00 75.56 C
|
| 738 |
+
ATOM 738 ND2 ASN A1058 -4.907 -18.191 17.255 1.00 75.56 N
|
| 739 |
+
ATOM 739 OD1 ASN A1058 -5.320 -18.160 15.122 1.00 75.56 O
|
| 740 |
+
ATOM 740 N LYS A1059 -9.903 -15.358 16.066 1.00 73.95 N
|
| 741 |
+
ATOM 741 CA LYS A1059 -11.370 -15.233 16.204 1.00 73.95 C
|
| 742 |
+
ATOM 742 C LYS A1059 -11.905 -13.998 15.455 1.00 73.95 C
|
| 743 |
+
ATOM 743 CB LYS A1059 -11.747 -15.185 17.695 1.00 73.95 C
|
| 744 |
+
ATOM 744 O LYS A1059 -11.879 -12.903 16.017 1.00 73.95 O
|
| 745 |
+
ATOM 745 CG LYS A1059 -11.566 -16.539 18.399 1.00 73.95 C
|
| 746 |
+
ATOM 746 CD LYS A1059 -11.903 -16.414 19.891 1.00 73.95 C
|
| 747 |
+
ATOM 747 CE LYS A1059 -11.722 -17.766 20.590 1.00 73.95 C
|
| 748 |
+
ATOM 748 NZ LYS A1059 -11.876 -17.643 22.064 1.00 73.95 N
|
| 749 |
+
ATOM 749 N PRO A1060 -12.437 -14.138 14.222 1.00 60.91 N
|
| 750 |
+
ATOM 750 CA PRO A1060 -12.859 -12.990 13.409 1.00 60.91 C
|
| 751 |
+
ATOM 751 C PRO A1060 -14.011 -12.178 14.028 1.00 60.91 C
|
| 752 |
+
ATOM 752 CB PRO A1060 -13.246 -13.579 12.046 1.00 60.91 C
|
| 753 |
+
ATOM 753 O PRO A1060 -14.076 -10.964 13.813 1.00 60.91 O
|
| 754 |
+
ATOM 754 CG PRO A1060 -13.624 -15.026 12.361 1.00 60.91 C
|
| 755 |
+
ATOM 755 CD PRO A1060 -12.675 -15.384 13.502 1.00 60.91 C
|
| 756 |
+
ATOM 756 N ASP A1061 -14.864 -12.836 14.820 1.00 61.24 N
|
| 757 |
+
ATOM 757 CA ASP A1061 -16.070 -12.269 15.443 1.00 61.24 C
|
| 758 |
+
ATOM 758 C ASP A1061 -15.831 -11.676 16.847 1.00 61.24 C
|
| 759 |
+
ATOM 759 CB ASP A1061 -17.159 -13.354 15.489 1.00 61.24 C
|
| 760 |
+
ATOM 760 O ASP A1061 -16.758 -11.171 17.482 1.00 61.24 O
|
| 761 |
+
ATOM 761 CG ASP A1061 -17.344 -14.030 14.129 1.00 61.24 C
|
| 762 |
+
ATOM 762 OD1 ASP A1061 -17.650 -13.306 13.157 1.00 61.24 O
|
| 763 |
+
ATOM 763 OD2 ASP A1061 -17.081 -15.251 14.068 1.00 61.24 O
|
| 764 |
+
ATOM 764 N ALA A1062 -14.600 -11.736 17.368 1.00 64.26 N
|
| 765 |
+
ATOM 765 CA ALA A1062 -14.279 -11.206 18.692 1.00 64.26 C
|
| 766 |
+
ATOM 766 C ALA A1062 -14.235 -9.664 18.718 1.00 64.26 C
|
| 767 |
+
ATOM 767 CB ALA A1062 -12.969 -11.834 19.180 1.00 64.26 C
|
| 768 |
+
ATOM 768 O ALA A1062 -13.921 -9.005 17.722 1.00 64.26 O
|
| 769 |
+
ATOM 769 N LYS A1063 -14.495 -9.070 19.895 1.00 67.14 N
|
| 770 |
+
ATOM 770 CA LYS A1063 -14.360 -7.622 20.123 1.00 67.14 C
|
| 771 |
+
ATOM 771 C LYS A1063 -12.926 -7.182 19.790 1.00 67.14 C
|
| 772 |
+
ATOM 772 CB LYS A1063 -14.746 -7.271 21.577 1.00 67.14 C
|
| 773 |
+
ATOM 773 O LYS A1063 -11.980 -7.581 20.464 1.00 67.14 O
|
| 774 |
+
ATOM 774 CG LYS A1063 -14.746 -5.748 21.804 1.00 67.14 C
|
| 775 |
+
ATOM 775 CD LYS A1063 -14.996 -5.327 23.263 1.00 67.14 C
|
| 776 |
+
ATOM 776 CE LYS A1063 -14.899 -3.797 23.290 1.00 67.14 C
|
| 777 |
+
ATOM 777 NZ LYS A1063 -14.977 -3.182 24.636 1.00 67.14 N
|
| 778 |
+
ATOM 778 N LYS A1064 -12.761 -6.350 18.755 1.00 70.24 N
|
| 779 |
+
ATOM 779 CA LYS A1064 -11.448 -5.948 18.213 1.00 70.24 C
|
| 780 |
+
ATOM 780 C LYS A1064 -10.737 -4.905 19.086 1.00 70.24 C
|
| 781 |
+
ATOM 781 CB LYS A1064 -11.577 -5.519 16.736 1.00 70.24 C
|
| 782 |
+
ATOM 782 O LYS A1064 -10.665 -3.729 18.721 1.00 70.24 O
|
| 783 |
+
ATOM 783 CG LYS A1064 -11.988 -6.709 15.856 1.00 70.24 C
|
| 784 |
+
ATOM 784 CD LYS A1064 -11.978 -6.401 14.352 1.00 70.24 C
|
| 785 |
+
ATOM 785 CE LYS A1064 -12.361 -7.706 13.636 1.00 70.24 C
|
| 786 |
+
ATOM 786 NZ LYS A1064 -12.414 -7.575 12.160 1.00 70.24 N
|
| 787 |
+
ATOM 787 N ALA A1065 -10.203 -5.353 20.222 1.00 83.10 N
|
| 788 |
+
ATOM 788 CA ALA A1065 -9.310 -4.574 21.076 1.00 83.10 C
|
| 789 |
+
ATOM 789 C ALA A1065 -8.050 -4.125 20.309 1.00 83.10 C
|
| 790 |
+
ATOM 790 CB ALA A1065 -8.948 -5.410 22.310 1.00 83.10 C
|
| 791 |
+
ATOM 791 O ALA A1065 -7.504 -4.859 19.480 1.00 83.10 O
|
| 792 |
+
ATOM 792 N ARG A1066 -7.580 -2.901 20.569 1.00 87.96 N
|
| 793 |
+
ATOM 793 CA ARG A1066 -6.443 -2.282 19.870 1.00 87.96 C
|
| 794 |
+
ATOM 794 C ARG A1066 -5.207 -2.236 20.765 1.00 87.96 C
|
| 795 |
+
ATOM 795 CB ARG A1066 -6.830 -0.871 19.400 1.00 87.96 C
|
| 796 |
+
ATOM 796 O ARG A1066 -5.141 -1.427 21.685 1.00 87.96 O
|
| 797 |
+
ATOM 797 CG ARG A1066 -7.976 -0.863 18.378 1.00 87.96 C
|
| 798 |
+
ATOM 798 CD ARG A1066 -8.307 0.584 17.991 1.00 87.96 C
|
| 799 |
+
ATOM 799 NE ARG A1066 -9.354 0.642 16.954 1.00 87.96 N
|
| 800 |
+
ATOM 800 NH1 ARG A1066 -9.323 2.913 16.600 1.00 87.96 N
|
| 801 |
+
ATOM 801 NH2 ARG A1066 -10.717 1.635 15.422 1.00 87.96 N
|
| 802 |
+
ATOM 802 CZ ARG A1066 -9.789 1.724 16.332 1.00 87.96 C
|
| 803 |
+
ATOM 803 N PHE A1067 -4.194 -3.030 20.437 1.00 90.96 N
|
| 804 |
+
ATOM 804 CA PHE A1067 -2.901 -3.001 21.125 1.00 90.96 C
|
| 805 |
+
ATOM 805 C PHE A1067 -2.058 -1.796 20.675 1.00 90.96 C
|
| 806 |
+
ATOM 806 CB PHE A1067 -2.169 -4.334 20.922 1.00 90.96 C
|
| 807 |
+
ATOM 807 O PHE A1067 -1.839 -1.571 19.475 1.00 90.96 O
|
| 808 |
+
ATOM 808 CG PHE A1067 -2.927 -5.527 21.476 1.00 90.96 C
|
| 809 |
+
ATOM 809 CD1 PHE A1067 -2.667 -5.991 22.781 1.00 90.96 C
|
| 810 |
+
ATOM 810 CD2 PHE A1067 -3.908 -6.168 20.694 1.00 90.96 C
|
| 811 |
+
ATOM 811 CE1 PHE A1067 -3.372 -7.096 23.291 1.00 90.96 C
|
| 812 |
+
ATOM 812 CE2 PHE A1067 -4.621 -7.262 21.210 1.00 90.96 C
|
| 813 |
+
ATOM 813 CZ PHE A1067 -4.350 -7.732 22.506 1.00 90.96 C
|
| 814 |
+
ATOM 814 N TRP A1068 -1.611 -0.991 21.637 1.00 93.15 N
|
| 815 |
+
ATOM 815 CA TRP A1068 -0.738 0.166 21.448 1.00 93.15 C
|
| 816 |
+
ATOM 816 C TRP A1068 0.516 -0.002 22.310 1.00 93.15 C
|
| 817 |
+
ATOM 817 CB TRP A1068 -1.464 1.470 21.839 1.00 93.15 C
|
| 818 |
+
ATOM 818 O TRP A1068 0.414 -0.171 23.520 1.00 93.15 O
|
| 819 |
+
ATOM 819 CG TRP A1068 -2.530 2.043 20.940 1.00 93.15 C
|
| 820 |
+
ATOM 820 CD1 TRP A1068 -3.236 1.403 19.979 1.00 93.15 C
|
| 821 |
+
ATOM 821 CD2 TRP A1068 -3.094 3.392 20.993 1.00 93.15 C
|
| 822 |
+
ATOM 822 CE2 TRP A1068 -4.108 3.507 19.995 1.00 93.15 C
|
| 823 |
+
ATOM 823 CE3 TRP A1068 -2.871 4.523 21.808 1.00 93.15 C
|
| 824 |
+
ATOM 824 NE1 TRP A1068 -4.146 2.265 19.402 1.00 93.15 N
|
| 825 |
+
ATOM 825 CH2 TRP A1068 -4.589 5.795 20.615 1.00 93.15 C
|
| 826 |
+
ATOM 826 CZ2 TRP A1068 -4.845 4.684 19.794 1.00 93.15 C
|
| 827 |
+
ATOM 827 CZ3 TRP A1068 -3.608 5.709 21.620 1.00 93.15 C
|
| 828 |
+
ATOM 828 N SER A1069 1.704 0.093 21.716 1.00 91.80 N
|
| 829 |
+
ATOM 829 CA SER A1069 2.940 0.146 22.494 1.00 91.80 C
|
| 830 |
+
ATOM 830 C SER A1069 3.114 1.485 23.207 1.00 91.80 C
|
| 831 |
+
ATOM 831 CB SER A1069 4.138 -0.153 21.603 1.00 91.80 C
|
| 832 |
+
ATOM 832 O SER A1069 2.494 2.501 22.853 1.00 91.80 O
|
| 833 |
+
ATOM 833 OG SER A1069 4.346 0.860 20.634 1.00 91.80 O
|
| 834 |
+
ATOM 834 N PHE A1070 4.001 1.505 24.199 1.00 88.84 N
|
| 835 |
+
ATOM 835 CA PHE A1070 4.380 2.710 24.929 1.00 88.84 C
|
| 836 |
+
ATOM 836 C PHE A1070 4.804 3.848 23.979 1.00 88.84 C
|
| 837 |
+
ATOM 837 CB PHE A1070 5.501 2.340 25.911 1.00 88.84 C
|
| 838 |
+
ATOM 838 O PHE A1070 4.291 4.965 24.072 1.00 88.84 O
|
| 839 |
+
ATOM 839 CG PHE A1070 5.993 3.543 26.677 1.00 88.84 C
|
| 840 |
+
ATOM 840 CD1 PHE A1070 7.125 4.244 26.223 1.00 88.84 C
|
| 841 |
+
ATOM 841 CD2 PHE A1070 5.247 4.028 27.766 1.00 88.84 C
|
| 842 |
+
ATOM 842 CE1 PHE A1070 7.479 5.460 26.825 1.00 88.84 C
|
| 843 |
+
ATOM 843 CE2 PHE A1070 5.613 5.235 28.381 1.00 88.84 C
|
| 844 |
+
ATOM 844 CZ PHE A1070 6.711 5.960 27.889 1.00 88.84 C
|
| 845 |
+
ATOM 845 N MET A1071 5.659 3.549 22.992 1.00 86.50 N
|
| 846 |
+
ATOM 846 CA MET A1071 6.162 4.531 22.020 1.00 86.50 C
|
| 847 |
+
ATOM 847 C MET A1071 5.056 5.101 21.122 1.00 86.50 C
|
| 848 |
+
ATOM 848 CB MET A1071 7.261 3.883 21.161 1.00 86.50 C
|
| 849 |
+
ATOM 849 O MET A1071 4.984 6.316 20.911 1.00 86.50 O
|
| 850 |
+
ATOM 850 CG MET A1071 8.544 3.624 21.961 1.00 86.50 C
|
| 851 |
+
ATOM 851 SD MET A1071 9.312 5.102 22.692 1.00 86.50 S
|
| 852 |
+
ATOM 852 CE MET A1071 9.867 5.968 21.201 1.00 86.50 C
|
| 853 |
+
ATOM 853 N LYS A1072 4.151 4.246 20.632 1.00 91.51 N
|
| 854 |
+
ATOM 854 CA LYS A1072 2.975 4.658 19.850 1.00 91.51 C
|
| 855 |
+
ATOM 855 C LYS A1072 2.049 5.566 20.663 1.00 91.51 C
|
| 856 |
+
ATOM 856 CB LYS A1072 2.274 3.375 19.390 1.00 91.51 C
|
| 857 |
+
ATOM 857 O LYS A1072 1.568 6.580 20.155 1.00 91.51 O
|
| 858 |
+
ATOM 858 CG LYS A1072 1.047 3.602 18.496 1.00 91.51 C
|
| 859 |
+
ATOM 859 CD LYS A1072 0.562 2.222 18.039 1.00 91.51 C
|
| 860 |
+
ATOM 860 CE LYS A1072 -0.691 2.273 17.167 1.00 91.51 C
|
| 861 |
+
ATOM 861 NZ LYS A1072 -1.059 0.896 16.745 1.00 91.51 N
|
| 862 |
+
ATOM 862 N THR A1073 1.859 5.237 21.938 1.00 91.56 N
|
| 863 |
+
ATOM 863 CA THR A1073 1.046 6.016 22.878 1.00 91.56 C
|
| 864 |
+
ATOM 864 C THR A1073 1.678 7.381 23.165 1.00 91.56 C
|
| 865 |
+
ATOM 865 CB THR A1073 0.819 5.221 24.172 1.00 91.56 C
|
| 866 |
+
ATOM 866 O THR A1073 0.990 8.399 23.079 1.00 91.56 O
|
| 867 |
+
ATOM 867 CG2 THR A1073 -0.219 5.891 25.063 1.00 91.56 C
|
| 868 |
+
ATOM 868 OG1 THR A1073 0.303 3.949 23.852 1.00 91.56 O
|
| 869 |
+
ATOM 869 N GLN A1074 2.995 7.442 23.397 1.00 87.49 N
|
| 870 |
+
ATOM 870 CA GLN A1074 3.721 8.703 23.582 1.00 87.49 C
|
| 871 |
+
ATOM 871 C GLN A1074 3.601 9.615 22.346 1.00 87.49 C
|
| 872 |
+
ATOM 872 CB GLN A1074 5.187 8.400 23.955 1.00 87.49 C
|
| 873 |
+
ATOM 873 O GLN A1074 3.286 10.798 22.491 1.00 87.49 O
|
| 874 |
+
ATOM 874 CG GLN A1074 5.973 9.681 24.292 1.00 87.49 C
|
| 875 |
+
ATOM 875 CD GLN A1074 7.427 9.440 24.695 1.00 87.49 C
|
| 876 |
+
ATOM 876 NE2 GLN A1074 8.294 10.411 24.502 1.00 87.49 N
|
| 877 |
+
ATOM 877 OE1 GLN A1074 7.830 8.413 25.207 1.00 87.49 O
|
| 878 |
+
ATOM 878 N ARG A1075 3.772 9.079 21.124 1.00 88.34 N
|
| 879 |
+
ATOM 879 CA ARG A1075 3.560 9.842 19.873 1.00 88.34 C
|
| 880 |
+
ATOM 880 C ARG A1075 2.129 10.379 19.758 1.00 88.34 C
|
| 881 |
+
ATOM 881 CB ARG A1075 3.883 8.984 18.636 1.00 88.34 C
|
| 882 |
+
ATOM 882 O ARG A1075 1.944 11.546 19.411 1.00 88.34 O
|
| 883 |
+
ATOM 883 CG ARG A1075 5.379 8.715 18.400 1.00 88.34 C
|
| 884 |
+
ATOM 884 CD ARG A1075 5.532 7.967 17.067 1.00 88.34 C
|
| 885 |
+
ATOM 885 NE ARG A1075 6.929 7.606 16.750 1.00 88.34 N
|
| 886 |
+
ATOM 886 NH1 ARG A1075 6.576 7.203 14.519 1.00 88.34 N
|
| 887 |
+
ATOM 887 NH2 ARG A1075 8.572 6.804 15.362 1.00 88.34 N
|
| 888 |
+
ATOM 888 CZ ARG A1075 7.350 7.212 15.555 1.00 88.34 C
|
| 889 |
+
ATOM 889 N PHE A1076 1.120 9.557 20.062 1.00 91.00 N
|
| 890 |
+
ATOM 890 CA PHE A1076 -0.288 9.964 20.009 1.00 91.00 C
|
| 891 |
+
ATOM 891 C PHE A1076 -0.590 11.128 20.963 1.00 91.00 C
|
| 892 |
+
ATOM 892 CB PHE A1076 -1.189 8.757 20.315 1.00 91.00 C
|
| 893 |
+
ATOM 893 O PHE A1076 -1.169 12.135 20.556 1.00 91.00 O
|
| 894 |
+
ATOM 894 CG PHE A1076 -2.661 9.119 20.304 1.00 91.00 C
|
| 895 |
+
ATOM 895 CD1 PHE A1076 -3.340 9.389 21.510 1.00 91.00 C
|
| 896 |
+
ATOM 896 CD2 PHE A1076 -3.332 9.263 19.075 1.00 91.00 C
|
| 897 |
+
ATOM 897 CE1 PHE A1076 -4.679 9.816 21.482 1.00 91.00 C
|
| 898 |
+
ATOM 898 CE2 PHE A1076 -4.669 9.693 19.048 1.00 91.00 C
|
| 899 |
+
ATOM 899 CZ PHE A1076 -5.337 9.979 20.249 1.00 91.00 C
|
| 900 |
+
ATOM 900 N VAL A1077 -0.147 11.022 22.216 1.00 89.93 N
|
| 901 |
+
ATOM 901 CA VAL A1077 -0.389 12.028 23.259 1.00 89.93 C
|
| 902 |
+
ATOM 902 C VAL A1077 0.295 13.366 22.928 1.00 89.93 C
|
| 903 |
+
ATOM 903 CB VAL A1077 0.019 11.425 24.616 1.00 89.93 C
|
| 904 |
+
ATOM 904 O VAL A1077 -0.347 14.418 23.023 1.00 89.93 O
|
| 905 |
+
ATOM 905 CG1 VAL A1077 -0.010 12.444 25.748 1.00 89.93 C
|
| 906 |
+
ATOM 906 CG2 VAL A1077 -0.966 10.313 25.013 1.00 89.93 C
|
| 907 |
+
ATOM 907 N SER A1078 1.520 13.335 22.391 1.00 86.86 N
|
| 908 |
+
ATOM 908 CA SER A1078 2.193 14.526 21.845 1.00 86.86 C
|
| 909 |
+
ATOM 909 C SER A1078 1.444 15.135 20.651 1.00 86.86 C
|
| 910 |
+
ATOM 910 CB SER A1078 3.625 14.179 21.434 1.00 86.86 C
|
| 911 |
+
ATOM 911 O SER A1078 1.280 16.356 20.575 1.00 86.86 O
|
| 912 |
+
ATOM 912 OG SER A1078 4.384 13.808 22.567 1.00 86.86 O
|
| 913 |
+
ATOM 913 N ASN A1079 0.907 14.312 19.741 1.00 86.87 N
|
| 914 |
+
ATOM 914 CA ASN A1079 0.091 14.786 18.615 1.00 86.87 C
|
| 915 |
+
ATOM 915 C ASN A1079 -1.242 15.412 19.060 1.00 86.87 C
|
| 916 |
+
ATOM 916 CB ASN A1079 -0.115 13.641 17.604 1.00 86.87 C
|
| 917 |
+
ATOM 917 O ASN A1079 -1.698 16.373 18.431 1.00 86.87 O
|
| 918 |
+
ATOM 918 CG ASN A1079 1.052 13.482 16.644 1.00 86.87 C
|
| 919 |
+
ATOM 919 ND2 ASN A1079 1.178 12.342 16.007 1.00 86.87 N
|
| 920 |
+
ATOM 920 OD1 ASN A1079 1.824 14.395 16.402 1.00 86.87 O
|
| 921 |
+
ATOM 921 N MET A1080 -1.822 14.964 20.178 1.00 84.49 N
|
| 922 |
+
ATOM 922 CA MET A1080 -2.969 15.615 20.833 1.00 84.49 C
|
| 923 |
+
ATOM 923 C MET A1080 -2.604 16.953 21.501 1.00 84.49 C
|
| 924 |
+
ATOM 924 CB MET A1080 -3.619 14.648 21.836 1.00 84.49 C
|
| 925 |
+
ATOM 925 O MET A1080 -3.476 17.798 21.696 1.00 84.49 O
|
| 926 |
+
ATOM 926 CG MET A1080 -4.287 13.458 21.136 1.00 84.49 C
|
| 927 |
+
ATOM 927 SD MET A1080 -5.713 13.884 20.099 1.00 84.49 S
|
| 928 |
+
ATOM 928 CE MET A1080 -6.999 13.983 21.367 1.00 84.49 C
|
| 929 |
+
ATOM 929 N GLY A1081 -1.314 17.203 21.753 1.00 82.75 N
|
| 930 |
+
ATOM 930 CA GLY A1081 -0.794 18.450 22.321 1.00 82.75 C
|
| 931 |
+
ATOM 931 C GLY A1081 -0.451 18.380 23.810 1.00 82.75 C
|
| 932 |
+
ATOM 932 O GLY A1081 -0.251 19.429 24.419 1.00 82.75 O
|
| 933 |
+
ATOM 933 N PHE A1082 -0.375 17.179 24.388 1.00 82.15 N
|
| 934 |
+
ATOM 934 CA PHE A1082 0.070 16.970 25.764 1.00 82.15 C
|
| 935 |
+
ATOM 935 C PHE A1082 1.543 16.553 25.780 1.00 82.15 C
|
| 936 |
+
ATOM 936 CB PHE A1082 -0.821 15.932 26.447 1.00 82.15 C
|
| 937 |
+
ATOM 937 O PHE A1082 1.958 15.663 25.043 1.00 82.15 O
|
| 938 |
+
ATOM 938 CG PHE A1082 -2.295 16.274 26.437 1.00 82.15 C
|
| 939 |
+
ATOM 939 CD1 PHE A1082 -2.788 17.279 27.288 1.00 82.15 C
|
| 940 |
+
ATOM 940 CD2 PHE A1082 -3.166 15.622 25.542 1.00 82.15 C
|
| 941 |
+
ATOM 941 CE1 PHE A1082 -4.146 17.639 27.238 1.00 82.15 C
|
| 942 |
+
ATOM 942 CE2 PHE A1082 -4.522 15.988 25.489 1.00 82.15 C
|
| 943 |
+
ATOM 943 CZ PHE A1082 -5.012 16.995 26.336 1.00 82.15 C
|
| 944 |
+
ATOM 944 N ASP A1083 2.332 17.211 26.620 1.00 73.33 N
|
| 945 |
+
ATOM 945 CA ASP A1083 3.781 17.046 26.690 1.00 73.33 C
|
| 946 |
+
ATOM 946 C ASP A1083 4.148 16.142 27.875 1.00 73.33 C
|
| 947 |
+
ATOM 947 CB ASP A1083 4.389 18.454 26.780 1.00 73.33 C
|
| 948 |
+
ATOM 948 O ASP A1083 3.997 16.541 29.026 1.00 73.33 O
|
| 949 |
+
ATOM 949 CG ASP A1083 5.916 18.500 26.785 1.00 73.33 C
|
| 950 |
+
ATOM 950 OD1 ASP A1083 6.548 17.420 26.863 1.00 73.33 O
|
| 951 |
+
ATOM 951 OD2 ASP A1083 6.417 19.651 26.730 1.00 73.33 O
|
| 952 |
+
ATOM 952 N ILE A1084 4.611 14.920 27.587 1.00 70.45 N
|
| 953 |
+
ATOM 953 CA ILE A1084 5.035 13.929 28.597 1.00 70.45 C
|
| 954 |
+
ATOM 954 C ILE A1084 6.475 14.200 29.085 1.00 70.45 C
|
| 955 |
+
ATOM 955 CB ILE A1084 4.853 12.493 28.029 1.00 70.45 C
|
| 956 |
+
ATOM 956 O ILE A1084 6.890 13.666 30.111 1.00 70.45 O
|
| 957 |
+
ATOM 957 CG1 ILE A1084 3.374 12.196 27.676 1.00 70.45 C
|
| 958 |
+
ATOM 958 CG2 ILE A1084 5.339 11.394 29.000 1.00 70.45 C
|
| 959 |
+
ATOM 959 CD1 ILE A1084 3.233 11.093 26.620 1.00 70.45 C
|
| 960 |
+
TER 960 ILE A1084
|
| 961 |
+
END
|
6qtm/6qtm_af2_holo_ligand.sdf
ADDED
|
@@ -0,0 +1,156 @@
|
|
|
|
|
|
|
|
|
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|
|
|
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|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
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|
|
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|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
|
| 2 |
+
RDKit 3D
|
| 3 |
+
|
| 4 |
+
74 75 0 0 0 0 0 0 0 0999 V2000
|
| 5 |
+
-10.2083 10.9781 12.8239 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 6 |
+
-10.0681 10.0075 13.9718 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 7 |
+
-10.7906 10.5775 15.1501 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 8 |
+
-10.6056 8.6062 13.6294 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 9 |
+
-10.0925 7.8780 12.3622 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 10 |
+
-10.8136 6.6240 12.1281 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 11 |
+
-11.3385 6.2715 10.9282 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 12 |
+
-11.2755 6.9994 9.9222 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 13 |
+
-12.0272 4.8850 10.8392 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 14 |
+
-11.8318 4.0859 12.0491 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 15 |
+
-13.5144 5.0206 10.5102 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 16 |
+
-13.7210 5.4285 9.1665 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 17 |
+
-8.5824 7.6088 12.4062 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 18 |
+
-8.1494 6.5281 12.8052 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 19 |
+
-7.7939 8.5671 11.9215 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 20 |
+
-6.3419 8.4500 11.8396 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 21 |
+
-5.8086 9.4822 10.8273 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 22 |
+
-4.3449 9.4128 10.4481 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 23 |
+
-3.8575 10.3739 9.7944 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 24 |
+
-3.6793 8.3939 10.7893 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 25 |
+
-5.7141 8.6562 13.2087 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 26 |
+
-6.1545 9.5254 13.9565 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 27 |
+
-4.6762 7.8567 13.5291 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 28 |
+
-3.9103 7.9376 14.7846 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 29 |
+
-3.1261 6.6484 15.0089 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 30 |
+
-3.9918 5.5457 15.2024 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 31 |
+
-2.9247 9.0990 14.7221 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 32 |
+
-2.4601 9.5884 15.7540 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 33 |
+
-2.5725 9.4931 13.4925 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 34 |
+
-1.6385 10.5684 13.1909 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 35 |
+
-0.8491 10.0191 11.9977 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 36 |
+
0.5334 9.9000 12.2957 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 37 |
+
1.0399 8.6069 11.5844 P 0 0 0 0 0 0 0 0 0 0 0 0
|
| 38 |
+
2.3992 8.4852 12.2075 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 39 |
+
0.2807 7.2491 11.8318 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 40 |
+
1.1525 8.8686 10.0584 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 41 |
+
-2.3817 11.8596 12.7850 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 42 |
+
-3.4590 11.7892 12.1835 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 43 |
+
-1.8225 13.0493 13.0731 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 44 |
+
-0.5550 13.3485 13.7603 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 45 |
+
-0.8431 14.6590 14.3947 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 46 |
+
-1.8799 15.3557 13.5648 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 47 |
+
-2.5148 14.2805 12.6718 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 48 |
+
-2.3231 14.5770 11.1784 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 49 |
+
-1.3938 14.0307 10.5865 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 50 |
+
-3.1501 15.4249 10.5267 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 51 |
+
-4.3219 16.1622 11.0321 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 52 |
+
-5.1269 16.3875 9.8023 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 53 |
+
-4.1308 16.5510 8.6997 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 54 |
+
-2.9110 15.7137 9.1063 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 55 |
+
-1.5596 16.4125 8.8554 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 56 |
+
-1.3601 17.5768 9.2222 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 57 |
+
-0.5902 15.6419 8.3282 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 58 |
+
0.7540 16.1382 8.0185 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 59 |
+
1.7645 14.9694 7.8953 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 60 |
+
1.9018 14.0624 9.1249 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 61 |
+
2.1774 12.7820 8.8975 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 62 |
+
1.8137 14.4873 10.2886 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 63 |
+
0.6454 16.9439 6.7220 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 64 |
+
0.2475 16.3862 5.6934 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 65 |
+
0.8838 18.2741 6.7869 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 66 |
+
0.7468 19.1623 5.6122 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 67 |
+
1.9939 20.0758 5.3938 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 68 |
+
1.9128 21.3075 5.5061 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 69 |
+
3.1439 19.4295 5.0437 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 70 |
+
4.4487 20.0426 4.7531 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 71 |
+
5.2408 20.2463 6.0443 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 72 |
+
4.6187 21.2015 6.8885 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 73 |
+
5.2641 19.1814 3.7527 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 74 |
+
6.3044 18.5942 4.0899 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 75 |
+
4.9127 19.0412 2.5703 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 76 |
+
-0.5812 19.9457 5.6484 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 77 |
+
-1.7750 19.0935 5.2259 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 78 |
+
-0.7830 20.4983 6.9535 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 79 |
+
10 9 1 0
|
| 80 |
+
9 7 1 0
|
| 81 |
+
9 11 1 0
|
| 82 |
+
7 8 2 0
|
| 83 |
+
7 6 1 0
|
| 84 |
+
11 12 1 0
|
| 85 |
+
6 5 1 0
|
| 86 |
+
5 13 1 0
|
| 87 |
+
5 4 1 0
|
| 88 |
+
13 14 2 0
|
| 89 |
+
13 15 1 0
|
| 90 |
+
4 2 1 0
|
| 91 |
+
2 1 1 0
|
| 92 |
+
2 3 1 0
|
| 93 |
+
15 16 1 0
|
| 94 |
+
16 21 1 0
|
| 95 |
+
16 17 1 0
|
| 96 |
+
21 22 2 0
|
| 97 |
+
21 23 1 0
|
| 98 |
+
17 18 1 0
|
| 99 |
+
18 20 1 0
|
| 100 |
+
18 19 2 0
|
| 101 |
+
23 24 1 0
|
| 102 |
+
24 27 1 0
|
| 103 |
+
24 25 1 0
|
| 104 |
+
27 28 2 0
|
| 105 |
+
27 29 1 0
|
| 106 |
+
25 26 1 0
|
| 107 |
+
29 30 1 0
|
| 108 |
+
30 31 1 0
|
| 109 |
+
30 37 1 0
|
| 110 |
+
31 32 1 0
|
| 111 |
+
32 33 1 0
|
| 112 |
+
37 38 2 0
|
| 113 |
+
37 39 1 0
|
| 114 |
+
33 34 2 0
|
| 115 |
+
33 35 1 0
|
| 116 |
+
33 36 1 0
|
| 117 |
+
39 43 1 0
|
| 118 |
+
39 40 1 0
|
| 119 |
+
43 44 1 0
|
| 120 |
+
43 42 1 0
|
| 121 |
+
44 45 2 0
|
| 122 |
+
44 46 1 0
|
| 123 |
+
42 41 1 0
|
| 124 |
+
41 40 1 0
|
| 125 |
+
46 50 1 0
|
| 126 |
+
46 47 1 0
|
| 127 |
+
50 51 1 0
|
| 128 |
+
50 49 1 0
|
| 129 |
+
51 52 2 0
|
| 130 |
+
51 53 1 0
|
| 131 |
+
49 48 1 0
|
| 132 |
+
48 47 1 0
|
| 133 |
+
53 54 1 0
|
| 134 |
+
54 59 1 0
|
| 135 |
+
54 55 1 0
|
| 136 |
+
59 60 2 0
|
| 137 |
+
59 61 1 0
|
| 138 |
+
55 56 1 0
|
| 139 |
+
56 58 2 0
|
| 140 |
+
56 57 1 0
|
| 141 |
+
61 62 1 0
|
| 142 |
+
62 63 1 0
|
| 143 |
+
62 72 1 0
|
| 144 |
+
63 64 2 0
|
| 145 |
+
63 65 1 0
|
| 146 |
+
72 74 1 0
|
| 147 |
+
72 73 1 0
|
| 148 |
+
65 66 1 0
|
| 149 |
+
66 69 1 0
|
| 150 |
+
66 67 1 0
|
| 151 |
+
69 71 1 0
|
| 152 |
+
69 70 2 0
|
| 153 |
+
67 68 1 0
|
| 154 |
+
M CHG 1 10 1
|
| 155 |
+
M END
|
| 156 |
+
$$$$
|
6qtm/6qtm_af2_holo_protein.pdb
ADDED
|
The diff for this file is too large to render.
See raw diff
|
|
|
6qto/6qto_af2_apo_protein.pdb
ADDED
|
The diff for this file is too large to render.
See raw diff
|
|
|
6qto/6qto_af2_holo_ligand.sdf
ADDED
|
@@ -0,0 +1,161 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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| 1 |
+
|
| 2 |
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RDKit 3D
|
| 3 |
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|
| 4 |
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77 78 0 0 0 0 0 0 0 0999 V2000
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| 5 |
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14.0389 -9.0617 -4.6973 C 0 0 0 0 0 0 0 0 0 0 0 0
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| 6 |
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12.9480 -8.8460 -5.7136 C 0 0 0 0 0 0 0 0 0 0 0 0
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12.1390 -10.1048 -6.0153 C 0 0 0 0 0 0 0 0 0 0 0 0
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| 8 |
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11.3844 -9.9337 -7.3294 C 0 0 0 0 0 0 0 0 0 0 0 0
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| 9 |
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| 10 |
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| 11 |
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| 13 |
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| 14 |
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10.2475 -14.8378 -3.9413 C 0 0 0 0 0 0 0 0 0 0 0 0
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| 15 |
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9.6227 -16.2207 -4.0040 C 0 0 0 0 0 0 0 0 0 0 0 0
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| 16 |
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10.5681 -17.3102 -3.5455 C 0 0 0 0 0 0 0 0 0 0 0 0
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| 17 |
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| 18 |
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| 22 |
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| 25 |
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| 28 |
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| 29 |
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| 31 |
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| 33 |
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6.2007 -10.8360 -2.1838 C 0 0 0 0 0 0 0 0 0 0 0 0
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| 44 |
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| 47 |
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4.6758 -9.2078 1.6440 C 0 0 0 0 0 0 0 0 0 0 0 0
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4.2927 -10.3652 1.8845 O 0 0 0 0 0 0 0 0 0 0 0 0
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| 51 |
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5.3398 -8.4930 2.5424 N 0 0 0 0 0 0 0 0 0 0 0 0
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5.9423 -7.1598 2.3655 C 0 0 0 0 0 0 0 0 0 0 0 0
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| 53 |
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6.4051 -6.8089 3.7484 C 0 0 0 0 0 0 0 0 0 0 0 0
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6.5814 -8.0464 4.4881 C 0 0 0 0 0 0 0 0 0 0 0 0
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5.6183 -9.0635 3.8639 C 0 0 0 0 0 0 0 0 0 0 0 0
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4.3670 -9.2121 4.7173 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.3960 -8.4772 4.5696 O 0 0 0 0 0 0 0 0 0 0 0 0
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3.4347 -10.2895 6.7113 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.8058 -11.6867 6.7585 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.6841 -11.9147 5.7423 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.4399 -11.0670 6.0085 C 0 0 0 0 0 0 0 0 0 0 0 0
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| 63 |
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-0.0626 -10.4540 5.0415 O 0 0 0 0 0 0 0 0 0 0 0 0
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| 64 |
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-0.0406 -11.0160 7.1727 O 0 0 0 0 0 0 0 0 0 0 0 0
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| 65 |
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4.1246 -10.0098 8.0436 C 0 0 0 0 0 0 0 0 0 0 0 0
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| 66 |
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5.3199 -10.2738 8.2070 O 0 0 0 0 0 0 0 0 0 0 0 0
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3.3706 -9.4696 8.9980 N 0 0 0 0 0 0 0 0 0 0 0 0
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3.9616 -9.1196 10.2877 C 0 0 0 0 0 0 0 0 0 0 0 0
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| 69 |
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3.0341 -8.2203 11.1069 C 0 0 0 0 0 0 0 0 0 0 0 0
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| 70 |
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3.5955 -7.8500 12.4517 C 0 0 0 0 0 0 0 0 0 0 0 0
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| 71 |
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4.8390 -7.2492 12.5532 C 0 0 0 0 0 0 0 0 0 0 0 0
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| 72 |
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5.3626 -6.9118 13.7868 C 0 0 0 0 0 0 0 0 0 0 0 0
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| 73 |
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4.6446 -7.1717 14.9346 C 0 0 0 0 0 0 0 0 0 0 0 0
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| 74 |
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3.4078 -7.7749 14.8469 C 0 0 0 0 0 0 0 0 0 0 0 0
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| 75 |
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2.8859 -8.1088 13.6118 C 0 0 0 0 0 0 0 0 0 0 0 0
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| 76 |
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4.3084 -10.3723 11.0887 C 0 0 0 0 0 0 0 0 0 0 0 0
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| 77 |
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3.5720 -11.3567 11.0605 O 0 0 0 0 0 0 0 0 0 0 0 0
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5.3294 -10.4144 11.7729 O 0 0 0 0 0 0 0 0 0 0 0 0
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2.9069 -8.2169 0.1700 C 0 0 0 0 0 0 0 0 0 0 0 0
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| 80 |
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2.5099 -7.2296 1.2541 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 81 |
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2.5739 -7.6514 -1.2070 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 82 |
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16 18 2 0
|
| 83 |
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16 17 1 0
|
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16 15 1 0
|
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15 9 1 0
|
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9 7 1 0
|
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9 10 1 0
|
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7 8 2 0
|
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7 6 1 0
|
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|
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11 12 1 0
|
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12 13 2 0
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6 5 1 0
|
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5 19 1 0
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5 3 1 0
|
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19 20 2 0
|
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19 21 1 0
|
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3 2 1 0
|
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3 4 1 0
|
| 101 |
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2 1 1 0
|
| 102 |
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21 22 1 0
|
| 103 |
+
22 30 1 0
|
| 104 |
+
22 23 1 0
|
| 105 |
+
30 31 2 0
|
| 106 |
+
30 32 1 0
|
| 107 |
+
23 24 1 0
|
| 108 |
+
24 25 1 0
|
| 109 |
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25 26 1 0
|
| 110 |
+
26 27 1 0
|
| 111 |
+
27 29 1 0
|
| 112 |
+
27 28 2 0
|
| 113 |
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32 33 1 0
|
| 114 |
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33 41 1 0
|
| 115 |
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33 34 1 0
|
| 116 |
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41 42 2 0
|
| 117 |
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41 43 1 0
|
| 118 |
+
34 35 1 0
|
| 119 |
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35 36 1 0
|
| 120 |
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36 37 1 0
|
| 121 |
+
37 38 1 0
|
| 122 |
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38 40 1 0
|
| 123 |
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38 39 2 0
|
| 124 |
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43 44 1 0
|
| 125 |
+
44 45 1 0
|
| 126 |
+
44 75 1 0
|
| 127 |
+
45 46 2 0
|
| 128 |
+
45 47 1 0
|
| 129 |
+
75 76 1 0
|
| 130 |
+
75 77 1 0
|
| 131 |
+
47 51 1 0
|
| 132 |
+
47 48 1 0
|
| 133 |
+
51 52 1 0
|
| 134 |
+
51 50 1 0
|
| 135 |
+
52 53 2 0
|
| 136 |
+
52 54 1 0
|
| 137 |
+
50 49 1 0
|
| 138 |
+
49 48 1 0
|
| 139 |
+
54 55 1 0
|
| 140 |
+
55 61 1 0
|
| 141 |
+
55 56 1 0
|
| 142 |
+
61 62 2 0
|
| 143 |
+
61 63 1 0
|
| 144 |
+
56 57 1 0
|
| 145 |
+
57 58 1 0
|
| 146 |
+
58 60 1 0
|
| 147 |
+
58 59 2 0
|
| 148 |
+
63 64 1 0
|
| 149 |
+
64 72 1 0
|
| 150 |
+
64 65 1 0
|
| 151 |
+
72 73 2 0
|
| 152 |
+
72 74 1 0
|
| 153 |
+
65 66 1 0
|
| 154 |
+
66 67 2 0
|
| 155 |
+
66 71 1 0
|
| 156 |
+
67 68 1 0
|
| 157 |
+
71 70 2 0
|
| 158 |
+
68 69 2 0
|
| 159 |
+
70 69 1 0
|
| 160 |
+
M END
|
| 161 |
+
$$$$
|
6qto/6qto_af2_holo_protein.pdb
ADDED
|
The diff for this file is too large to render.
See raw diff
|
|
|
6qtq/6qtq_af2_apo_protein.pdb
ADDED
|
The diff for this file is too large to render.
See raw diff
|
|
|
6qtq/6qtq_af2_holo_ligand.sdf
ADDED
|
@@ -0,0 +1,108 @@
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
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| 1 |
+
|
| 2 |
+
RDKit 3D
|
| 3 |
+
|
| 4 |
+
50 51 0 0 0 0 0 0 0 0999 V2000
|
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7.3782 -7.9392 -6.8717 C 0 0 0 0 0 0 0 0 0 0 0 0
|
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7.8257 -8.0924 -5.4154 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 7 |
+
9.2005 -8.5597 -5.3127 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 8 |
+
9.5641 -9.7752 -5.7082 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 9 |
+
8.7768 -10.6008 -6.1752 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 10 |
+
11.0376 -10.1069 -5.5495 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 11 |
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11.7945 -9.8322 -6.8480 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 12 |
+
13.2275 -10.3180 -6.7943 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 13 |
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13.9844 -10.1711 -5.6402 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 14 |
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15.2893 -10.6194 -5.5805 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 15 |
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15.8499 -11.2264 -6.6801 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 16 |
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17.1518 -11.6708 -6.6311 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 17 |
+
15.1189 -11.3869 -7.8352 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 18 |
+
13.8133 -10.9402 -7.8855 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 19 |
+
11.1947 -11.5098 -5.1960 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 20 |
+
11.7061 -11.9095 -4.0389 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 21 |
+
11.9924 -11.1310 -3.1285 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 22 |
+
11.9184 -13.4156 -3.8953 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 23 |
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13.3200 -13.7030 -3.5950 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 24 |
+
11.0118 -14.0015 -2.8141 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 25 |
+
11.0480 -15.5266 -2.7626 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 26 |
+
10.0507 -16.0887 -1.7576 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 27 |
+
10.0677 -17.5517 -1.7197 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 28 |
+
9.2955 -18.3389 -2.4666 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 29 |
+
9.3880 -19.6567 -2.3534 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 30 |
+
8.4307 -17.8146 -3.3264 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 31 |
+
6.8589 -8.9780 -4.6323 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 32 |
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5.6992 -9.1560 -5.0329 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 33 |
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7.3270 -9.5028 -3.5023 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 34 |
+
6.4956 -10.2732 -2.5803 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 35 |
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6.1998 -9.4161 -1.3546 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 36 |
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7.1195 -8.8912 -0.7089 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 37 |
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4.9193 -9.2966 -1.0254 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 38 |
+
4.4993 -8.4360 0.0859 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 39 |
+
4.8990 -9.0879 1.4019 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 40 |
+
4.7440 -10.3145 1.5584 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 41 |
+
5.4084 -8.3314 2.3760 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 42 |
+
5.9335 -6.9572 2.2754 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 43 |
+
6.2666 -6.6112 3.7054 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 44 |
+
6.4016 -7.8468 4.4630 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 45 |
+
5.6097 -8.9169 3.7050 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 46 |
+
4.2697 -9.1987 4.3823 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 47 |
+
3.9339 -10.3790 4.3977 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 48 |
+
3.6945 -8.2100 4.8279 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 49 |
+
2.9894 -8.2256 0.0289 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 50 |
+
2.5274 -7.3510 1.1713 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 51 |
+
2.5622 -7.6001 -1.2970 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 52 |
+
7.1640 -11.6021 -2.1911 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 53 |
+
6.3395 -12.3332 -1.1415 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 54 |
+
7.3546 -12.4835 -3.4194 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 55 |
+
19 18 1 0
|
| 56 |
+
18 16 1 0
|
| 57 |
+
18 20 1 0
|
| 58 |
+
16 17 2 0
|
| 59 |
+
16 15 1 0
|
| 60 |
+
20 21 1 0
|
| 61 |
+
21 22 1 0
|
| 62 |
+
22 23 1 0
|
| 63 |
+
23 24 1 0
|
| 64 |
+
24 26 1 0
|
| 65 |
+
24 25 2 0
|
| 66 |
+
15 6 1 0
|
| 67 |
+
6 4 1 0
|
| 68 |
+
6 7 1 0
|
| 69 |
+
4 5 2 0
|
| 70 |
+
4 3 1 0
|
| 71 |
+
7 8 1 0
|
| 72 |
+
8 9 2 0
|
| 73 |
+
8 14 1 0
|
| 74 |
+
9 10 1 0
|
| 75 |
+
14 13 2 0
|
| 76 |
+
10 11 2 0
|
| 77 |
+
13 11 1 0
|
| 78 |
+
11 12 1 0
|
| 79 |
+
3 2 1 0
|
| 80 |
+
2 27 1 0
|
| 81 |
+
2 1 1 0
|
| 82 |
+
27 28 2 0
|
| 83 |
+
27 29 1 0
|
| 84 |
+
29 30 1 0
|
| 85 |
+
30 31 1 0
|
| 86 |
+
30 48 1 0
|
| 87 |
+
31 32 2 0
|
| 88 |
+
31 33 1 0
|
| 89 |
+
48 49 1 0
|
| 90 |
+
48 50 1 0
|
| 91 |
+
33 34 1 0
|
| 92 |
+
34 35 1 0
|
| 93 |
+
34 45 1 0
|
| 94 |
+
35 36 2 0
|
| 95 |
+
35 37 1 0
|
| 96 |
+
45 46 1 0
|
| 97 |
+
45 47 1 0
|
| 98 |
+
37 41 1 0
|
| 99 |
+
37 38 1 0
|
| 100 |
+
41 42 1 0
|
| 101 |
+
41 40 1 0
|
| 102 |
+
42 43 2 0
|
| 103 |
+
42 44 1 0
|
| 104 |
+
40 39 1 0
|
| 105 |
+
39 38 1 0
|
| 106 |
+
M CHG 1 19 1
|
| 107 |
+
M END
|
| 108 |
+
$$$$
|
6qtq/6qtq_af2_holo_protein.pdb
ADDED
|
The diff for this file is too large to render.
See raw diff
|
|
|
6qtr/6qtr_af2_apo_protein.pdb
ADDED
|
The diff for this file is too large to render.
See raw diff
|
|
|
6qtr/6qtr_af2_holo_ligand.sdf
ADDED
|
@@ -0,0 +1,197 @@
|
|
|
|
|
|
|
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|
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|
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|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
|
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|
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|
|
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|
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|
|
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|
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|
|
|
|
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|
|
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|
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|
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|
|
|
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|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
|
|
|
|
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|
|
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|
|
|
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|
|
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|
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|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
|
|
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|
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|
|
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|
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|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
| 1 |
+
|
| 2 |
+
RDKit 3D
|
| 3 |
+
|
| 4 |
+
94 96 0 0 0 0 0 0 0 0999 V2000
|
| 5 |
+
14.0445 -9.1610 -4.6274 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 6 |
+
13.0730 -8.8219 -5.7431 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 7 |
+
12.2074 -10.0026 -6.1795 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 8 |
+
11.4503 -9.6882 -7.4679 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 9 |
+
11.2264 -10.3909 -5.0580 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 10 |
+
10.6803 -11.7140 -5.3263 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 11 |
+
10.0162 -12.3750 -4.3796 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 12 |
+
9.7547 -11.8875 -3.2750 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 13 |
+
9.5812 -13.7874 -4.7500 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 14 |
+
9.3426 -13.8567 -6.1870 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 15 |
+
10.6607 -14.7870 -4.3384 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 16 |
+
10.9180 -14.8473 -2.8393 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 17 |
+
9.7878 -15.5109 -2.0730 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 18 |
+
9.7834 -15.4265 -0.8267 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 19 |
+
8.9047 -16.1174 -2.7154 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 20 |
+
10.1152 -9.3654 -4.8638 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 21 |
+
10.3103 -8.3622 -4.1603 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 22 |
+
8.9364 -9.5838 -5.4594 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 23 |
+
7.7953 -8.7096 -5.2377 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 24 |
+
7.1941 -8.2414 -6.5599 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 25 |
+
8.1331 -7.3469 -7.3411 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 26 |
+
8.4028 -6.0784 -6.5932 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 27 |
+
7.3149 -5.1150 -6.7216 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 28 |
+
7.1895 -4.0273 -5.9756 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 29 |
+
6.2154 -3.1833 -6.2096 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 30 |
+
8.0382 -3.7879 -4.9952 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 31 |
+
6.7552 -9.3663 -4.3449 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 32 |
+
5.5626 -9.1065 -4.4816 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 33 |
+
7.1740 -10.2118 -3.4214 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 34 |
+
6.2541 -10.7441 -2.4302 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 35 |
+
6.8147 -12.0252 -1.8100 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 36 |
+
5.8973 -12.6263 -0.7450 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 37 |
+
6.3681 -13.9850 -0.2229 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 38 |
+
5.3594 -14.5751 0.6546 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 39 |
+
4.4512 -15.4717 0.2720 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 40 |
+
3.5748 -15.9348 1.1531 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 41 |
+
4.4203 -15.9145 -0.9789 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 42 |
+
6.0401 -9.7152 -1.3284 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 43 |
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6.9983 -9.1416 -0.8002 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 44 |
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4.7856 -9.4814 -0.9886 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 45 |
+
4.4443 -8.5438 0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 46 |
+
4.8189 -9.1656 1.4229 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 47 |
+
4.5371 -10.3605 1.6519 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 48 |
+
5.4274 -8.4144 2.3317 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 49 |
+
5.9514 -7.0493 2.1669 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 50 |
+
6.3206 -6.6414 3.5607 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 51 |
+
6.5463 -7.8623 4.3370 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 52 |
+
5.7693 -8.9869 3.6369 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 53 |
+
4.5259 -9.3781 4.4150 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 54 |
+
3.4582 -8.7823 4.2681 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 55 |
+
4.6763 -10.4131 5.2313 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 56 |
+
3.6785 -10.8190 6.2082 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 57 |
+
3.3891 -12.3193 6.0894 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 58 |
+
2.8501 -12.7606 4.7276 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 59 |
+
2.6799 -14.2738 4.6100 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 60 |
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3.1305 -15.0058 5.5162 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 61 |
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2.0916 -14.7338 3.6056 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 62 |
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4.2396 -10.5186 7.5929 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 63 |
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5.4339 -10.7142 7.8380 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 64 |
+
3.3928 -10.0220 8.4873 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 65 |
+
3.8175 -9.6895 9.8417 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 66 |
+
3.8221 -8.1749 10.0726 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 67 |
+
4.0769 -7.7807 11.4999 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 68 |
+
5.3710 -7.6152 11.9712 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 69 |
+
5.6049 -7.2538 13.2889 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 70 |
+
4.5371 -7.0549 14.1481 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 71 |
+
3.2437 -7.2152 13.6877 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 72 |
+
3.0193 -7.5756 12.3716 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 73 |
+
2.8771 -10.3545 10.8342 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 74 |
+
1.6552 -10.2693 10.6819 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 75 |
+
3.4497 -10.9968 11.8543 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 76 |
+
2.6547 -11.6714 12.8635 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 77 |
+
3.2060 -11.5919 14.2743 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 78 |
+
2.9625 -12.4884 15.0884 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 79 |
+
3.9384 -10.5262 14.5849 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 80 |
+
4.5302 -10.3449 15.8925 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 81 |
+
3.7561 -9.3765 16.7650 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 82 |
+
2.5717 -9.1021 16.5459 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 83 |
+
4.4419 -8.8548 17.7788 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 84 |
+
3.8564 -7.8766 18.6883 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 85 |
+
4.3583 -8.1062 20.1141 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 86 |
+
4.0311 -9.4765 20.6652 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 87 |
+
2.9529 -9.6648 21.5246 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 88 |
+
2.6497 -10.9172 22.0322 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 89 |
+
3.4306 -12.0019 21.6774 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 90 |
+
3.1459 -13.2537 22.1672 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 91 |
+
4.5060 -11.8398 20.8278 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 92 |
+
4.7980 -10.5833 20.3256 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 93 |
+
4.2147 -6.4650 18.2370 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 94 |
+
5.1308 -6.2763 17.4361 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 95 |
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3.5932 -5.4927 18.6672 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 96 |
+
2.9461 -8.2121 0.0257 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 97 |
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2.5682 -7.2599 1.1346 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 98 |
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2.5573 -7.6266 -1.3388 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 99 |
+
10 9 1 0
|
| 100 |
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9 7 1 0
|
| 101 |
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9 11 1 0
|
| 102 |
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7 8 2 0
|
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7 6 1 0
|
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11 12 1 0
|
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12 13 1 0
|
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13 15 1 0
|
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13 14 2 0
|
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6 5 1 0
|
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5 16 1 0
|
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5 3 1 0
|
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16 17 2 0
|
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16 18 1 0
|
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3 2 1 0
|
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3 4 1 0
|
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2 1 1 0
|
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18 19 1 0
|
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19 27 1 0
|
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19 20 1 0
|
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27 28 2 0
|
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27 29 1 0
|
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20 21 1 0
|
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21 22 1 0
|
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22 23 1 0
|
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23 24 1 0
|
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24 26 1 0
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24 25 2 0
|
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29 30 1 0
|
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30 38 1 0
|
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30 31 1 0
|
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38 39 2 0
|
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38 40 1 0
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31 32 1 0
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32 33 1 0
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33 34 1 0
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34 35 1 0
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35 37 1 0
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35 36 2 0
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40 41 1 0
|
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41 42 1 0
|
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41 92 1 0
|
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42 43 2 0
|
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42 44 1 0
|
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92 93 1 0
|
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92 94 1 0
|
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44 48 1 0
|
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44 45 1 0
|
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48 49 1 0
|
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48 47 1 0
|
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49 50 2 0
|
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49 51 1 0
|
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47 46 1 0
|
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46 45 1 0
|
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51 52 1 0
|
| 154 |
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52 58 1 0
|
| 155 |
+
52 53 1 0
|
| 156 |
+
58 59 2 0
|
| 157 |
+
58 60 1 0
|
| 158 |
+
53 54 1 0
|
| 159 |
+
54 55 1 0
|
| 160 |
+
55 56 2 0
|
| 161 |
+
55 57 1 0
|
| 162 |
+
60 61 1 0
|
| 163 |
+
61 69 1 0
|
| 164 |
+
61 62 1 0
|
| 165 |
+
69 70 2 0
|
| 166 |
+
69 71 1 0
|
| 167 |
+
62 63 1 0
|
| 168 |
+
63 64 2 0
|
| 169 |
+
63 68 1 0
|
| 170 |
+
64 65 1 0
|
| 171 |
+
68 67 2 0
|
| 172 |
+
65 66 2 0
|
| 173 |
+
67 66 1 0
|
| 174 |
+
71 72 1 0
|
| 175 |
+
72 73 1 0
|
| 176 |
+
73 74 2 0
|
| 177 |
+
73 75 1 0
|
| 178 |
+
75 76 1 0
|
| 179 |
+
76 77 1 0
|
| 180 |
+
77 78 2 0
|
| 181 |
+
77 79 1 0
|
| 182 |
+
79 80 1 0
|
| 183 |
+
80 89 1 0
|
| 184 |
+
80 81 1 0
|
| 185 |
+
89 90 2 0
|
| 186 |
+
89 91 1 0
|
| 187 |
+
81 82 1 0
|
| 188 |
+
82 83 2 0
|
| 189 |
+
82 88 1 0
|
| 190 |
+
83 84 1 0
|
| 191 |
+
88 87 2 0
|
| 192 |
+
84 85 2 0
|
| 193 |
+
87 85 1 0
|
| 194 |
+
85 86 1 0
|
| 195 |
+
M CHG 1 10 1
|
| 196 |
+
M END
|
| 197 |
+
$$$$
|
6qtr/6qtr_af2_holo_protein.pdb
ADDED
|
The diff for this file is too large to render.
See raw diff
|
|
|
6qts/6qts_af2_apo_protein.pdb
ADDED
|
The diff for this file is too large to render.
See raw diff
|
|
|
6qts/6qts_af2_holo_ligand.sdf
ADDED
|
@@ -0,0 +1,124 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
|
| 2 |
+
RDKit 3D
|
| 3 |
+
|
| 4 |
+
58 59 0 0 0 0 0 0 0 0999 V2000
|
| 5 |
+
7.2908 -7.9689 -6.8868 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 6 |
+
7.7350 -8.0770 -5.4256 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 7 |
+
9.1250 -8.4933 -5.3056 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 8 |
+
9.5499 -9.6894 -5.6973 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 9 |
+
8.8045 -10.5779 -6.1184 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 10 |
+
11.0467 -9.9155 -5.5786 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 11 |
+
11.7282 -9.6479 -6.9222 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 12 |
+
13.2349 -9.6214 -6.8274 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 13 |
+
13.8839 -8.5424 -6.2470 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 14 |
+
15.2524 -8.5022 -6.1490 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 15 |
+
15.9944 -9.5562 -6.6290 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 16 |
+
17.3640 -9.5192 -6.5332 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 17 |
+
15.3758 -10.6412 -7.2106 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 18 |
+
14.0026 -10.6707 -7.3054 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 19 |
+
11.3196 -11.2793 -5.1529 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 20 |
+
11.8341 -11.5762 -3.9672 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 21 |
+
12.0260 -10.7384 -3.0892 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 22 |
+
12.1734 -13.0448 -3.7439 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 23 |
+
13.4985 -13.1958 -3.1591 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 24 |
+
11.1118 -13.6934 -2.8559 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 25 |
+
11.1391 -15.2104 -2.8834 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 26 |
+
9.7533 -15.7966 -2.6503 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 27 |
+
9.2715 -15.5919 -1.2871 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 28 |
+
8.0568 -15.9340 -0.8651 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 29 |
+
7.1934 -16.4917 -1.7016 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 30 |
+
7.7041 -15.7148 0.3934 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 31 |
+
6.7987 -8.9715 -4.6272 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 32 |
+
5.6467 -9.1786 -5.0148 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 33 |
+
7.2748 -9.5010 -3.5077 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 34 |
+
6.4611 -10.2967 -2.5998 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 35 |
+
6.1557 -9.4476 -1.3722 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 36 |
+
7.0683 -8.9073 -0.7374 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 37 |
+
4.8770 -9.3129 -1.0572 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 38 |
+
4.4507 -8.4620 0.0595 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 39 |
+
4.8621 -9.1117 1.3700 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 40 |
+
4.7032 -10.3332 1.5270 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 41 |
+
5.3893 -8.3573 2.3296 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 42 |
+
5.7958 -6.9465 2.2275 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 43 |
+
6.4959 -6.6844 3.5279 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 44 |
+
6.1126 -7.7375 4.4856 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 45 |
+
5.6483 -8.9379 3.6552 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 46 |
+
4.3759 -9.5441 4.2326 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 47 |
+
3.2749 -9.0221 4.0406 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 48 |
+
4.5264 -10.6500 4.9493 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 49 |
+
3.3756 -11.2840 5.5934 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 50 |
+
3.8146 -12.4438 6.4867 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 51 |
+
4.7468 -13.4019 5.7795 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 52 |
+
4.2795 -14.4679 5.3291 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 53 |
+
5.9508 -13.0857 5.6726 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 54 |
+
2.6017 -10.2624 6.4285 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 55 |
+
2.9790 -9.9519 7.5615 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 56 |
+
1.5814 -9.7250 5.9891 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 57 |
+
2.9360 -8.2506 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 58 |
+
2.4551 -7.4116 1.1584 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 59 |
+
2.5362 -7.5832 -1.3204 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 60 |
+
7.1537 -11.6117 -2.2240 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 61 |
+
6.3347 -12.3479 -1.1867 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 62 |
+
7.3400 -12.4710 -3.4532 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 63 |
+
19 18 1 0
|
| 64 |
+
18 16 1 0
|
| 65 |
+
18 20 1 0
|
| 66 |
+
16 17 2 0
|
| 67 |
+
16 15 1 0
|
| 68 |
+
20 21 1 0
|
| 69 |
+
21 22 1 0
|
| 70 |
+
22 23 1 0
|
| 71 |
+
23 24 1 0
|
| 72 |
+
24 25 2 0
|
| 73 |
+
24 26 1 0
|
| 74 |
+
15 6 1 0
|
| 75 |
+
6 4 1 0
|
| 76 |
+
6 7 1 0
|
| 77 |
+
4 5 2 0
|
| 78 |
+
4 3 1 0
|
| 79 |
+
7 8 1 0
|
| 80 |
+
8 9 2 0
|
| 81 |
+
8 14 1 0
|
| 82 |
+
9 10 1 0
|
| 83 |
+
14 13 2 0
|
| 84 |
+
10 11 2 0
|
| 85 |
+
13 11 1 0
|
| 86 |
+
11 12 1 0
|
| 87 |
+
3 2 1 0
|
| 88 |
+
2 27 1 0
|
| 89 |
+
2 1 1 0
|
| 90 |
+
27 28 2 0
|
| 91 |
+
27 29 1 0
|
| 92 |
+
29 30 1 0
|
| 93 |
+
30 31 1 0
|
| 94 |
+
30 56 1 0
|
| 95 |
+
31 32 2 0
|
| 96 |
+
31 33 1 0
|
| 97 |
+
56 57 1 0
|
| 98 |
+
56 58 1 0
|
| 99 |
+
33 34 1 0
|
| 100 |
+
34 35 1 0
|
| 101 |
+
34 53 1 0
|
| 102 |
+
35 36 2 0
|
| 103 |
+
35 37 1 0
|
| 104 |
+
53 54 1 0
|
| 105 |
+
53 55 1 0
|
| 106 |
+
37 41 1 0
|
| 107 |
+
37 38 1 0
|
| 108 |
+
41 42 1 0
|
| 109 |
+
41 40 1 0
|
| 110 |
+
42 43 2 0
|
| 111 |
+
42 44 1 0
|
| 112 |
+
40 39 1 0
|
| 113 |
+
39 38 1 0
|
| 114 |
+
44 45 1 0
|
| 115 |
+
45 50 1 0
|
| 116 |
+
45 46 1 0
|
| 117 |
+
50 51 2 0
|
| 118 |
+
50 52 1 0
|
| 119 |
+
46 47 1 0
|
| 120 |
+
47 49 1 0
|
| 121 |
+
47 48 2 0
|
| 122 |
+
M CHG 1 19 1
|
| 123 |
+
M END
|
| 124 |
+
$$$$
|
6qts/6qts_af2_holo_protein.pdb
ADDED
|
The diff for this file is too large to render.
See raw diff
|
|
|
6qtw/6qtw_af2_apo_protein.pdb
ADDED
|
The diff for this file is too large to render.
See raw diff
|
|
|
6qtw/6qtw_af2_holo_ligand.sdf
ADDED
|
@@ -0,0 +1,117 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
|
| 2 |
+
RDKit 3D
|
| 3 |
+
|
| 4 |
+
55 55 0 0 0 0 0 0 0 0999 V2000
|
| 5 |
+
7.6573 -14.4165 -2.4694 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 6 |
+
6.9099 -13.9987 -0.9097 S 0 0 0 0 0 0 0 0 0 0 0 0
|
| 7 |
+
6.1318 -12.4388 -1.3390 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 8 |
+
7.0883 -11.4818 -2.0247 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 9 |
+
6.4324 -10.1884 -2.4995 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 10 |
+
7.3363 -9.4369 -3.3557 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 11 |
+
6.9388 -8.8739 -4.4942 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 12 |
+
5.7966 -8.9969 -4.9324 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 13 |
+
7.9775 -8.0176 -5.2127 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 14 |
+
7.5284 -7.6123 -6.6226 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 15 |
+
8.4060 -6.5150 -7.2499 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 16 |
+
8.4110 -5.2432 -6.4214 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 17 |
+
7.2857 -4.5209 -6.4421 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 18 |
+
9.4179 -4.9074 -5.7567 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 19 |
+
9.2920 -8.6506 -5.2082 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 20 |
+
9.4958 -9.8998 -5.6229 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 21 |
+
8.5952 -10.6218 -6.0399 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 22 |
+
10.9494 -10.3619 -5.5663 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 23 |
+
11.6783 -9.8678 -6.8137 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 24 |
+
13.1706 -10.0872 -6.7409 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 25 |
+
13.7903 -10.2328 -7.8039 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 26 |
+
13.7226 -10.1185 -5.6240 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 27 |
+
11.0637 -11.8062 -5.4575 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 28 |
+
11.1076 -12.4231 -4.2846 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 29 |
+
10.7725 -11.8852 -3.2395 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 30 |
+
11.5952 -13.8767 -4.3144 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 31 |
+
12.5161 -14.1755 -3.2140 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 32 |
+
10.4186 -14.8459 -4.2794 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 33 |
+
9.3590 -14.5589 -5.3233 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 34 |
+
8.2531 -15.6031 -5.3416 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 35 |
+
8.4211 -16.6637 -4.7036 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 36 |
+
7.2123 -15.3551 -5.9912 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 37 |
+
6.0747 -9.3312 -1.2924 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 38 |
+
6.9582 -8.7882 -0.6239 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 39 |
+
4.7888 -9.2113 -1.0270 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 40 |
+
4.3221 -8.3728 0.0826 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 41 |
+
4.6780 -9.0325 1.4109 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 42 |
+
4.3471 -10.2112 1.6266 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 43 |
+
5.3146 -8.3248 2.3396 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 44 |
+
5.8446 -6.9593 2.2158 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 45 |
+
6.3039 -6.6395 3.6244 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 46 |
+
6.4157 -7.8694 4.3839 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 47 |
+
5.6678 -8.9606 3.6156 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 48 |
+
4.4317 -9.4458 4.3497 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 49 |
+
3.3580 -8.8427 4.2740 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 50 |
+
4.6021 -10.5623 5.0549 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 51 |
+
3.4915 -11.3328 5.6147 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 52 |
+
3.5466 -12.7682 5.0785 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 53 |
+
2.3870 -13.5016 5.4311 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 54 |
+
3.5198 -11.3612 7.1384 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 55 |
+
4.4440 -11.9145 7.7353 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 56 |
+
2.6186 -10.8310 7.7894 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 57 |
+
2.8225 -8.1503 -0.0332 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 58 |
+
2.3169 -7.2791 1.1021 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 59 |
+
2.4938 -7.5211 -1.3520 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 60 |
+
27 26 1 0
|
| 61 |
+
26 24 1 0
|
| 62 |
+
26 28 1 0
|
| 63 |
+
24 25 2 0
|
| 64 |
+
24 23 1 0
|
| 65 |
+
28 29 1 0
|
| 66 |
+
29 30 1 0
|
| 67 |
+
30 31 2 0
|
| 68 |
+
30 32 1 0
|
| 69 |
+
23 18 1 0
|
| 70 |
+
18 16 1 0
|
| 71 |
+
18 19 1 0
|
| 72 |
+
16 17 2 0
|
| 73 |
+
16 15 1 0
|
| 74 |
+
19 20 1 0
|
| 75 |
+
20 22 1 0
|
| 76 |
+
20 21 2 0
|
| 77 |
+
15 9 1 0
|
| 78 |
+
9 7 1 0
|
| 79 |
+
9 10 1 0
|
| 80 |
+
7 8 2 0
|
| 81 |
+
7 6 1 0
|
| 82 |
+
10 11 1 0
|
| 83 |
+
11 12 1 0
|
| 84 |
+
12 14 2 0
|
| 85 |
+
12 13 1 0
|
| 86 |
+
6 5 1 0
|
| 87 |
+
5 33 1 0
|
| 88 |
+
5 4 1 0
|
| 89 |
+
33 34 2 0
|
| 90 |
+
33 35 1 0
|
| 91 |
+
4 3 1 0
|
| 92 |
+
3 2 1 0
|
| 93 |
+
2 1 1 0
|
| 94 |
+
35 36 1 0
|
| 95 |
+
36 37 1 0
|
| 96 |
+
36 53 1 0
|
| 97 |
+
37 38 2 0
|
| 98 |
+
37 39 1 0
|
| 99 |
+
53 54 1 0
|
| 100 |
+
53 55 1 0
|
| 101 |
+
39 43 1 0
|
| 102 |
+
39 40 1 0
|
| 103 |
+
43 44 1 0
|
| 104 |
+
43 42 1 0
|
| 105 |
+
44 45 2 0
|
| 106 |
+
44 46 1 0
|
| 107 |
+
42 41 1 0
|
| 108 |
+
41 40 1 0
|
| 109 |
+
46 47 1 0
|
| 110 |
+
47 50 1 0
|
| 111 |
+
47 48 1 0
|
| 112 |
+
50 52 1 0
|
| 113 |
+
50 51 2 0
|
| 114 |
+
48 49 1 0
|
| 115 |
+
M CHG 1 27 1
|
| 116 |
+
M END
|
| 117 |
+
$$$$
|
6qtw/6qtw_af2_holo_protein.pdb
ADDED
|
The diff for this file is too large to render.
See raw diff
|
|
|
6qtx/6qtx_af2_apo_protein.pdb
ADDED
|
The diff for this file is too large to render.
See raw diff
|
|
|
6qtx/6qtx_af2_holo_ligand.sdf
ADDED
|
@@ -0,0 +1,125 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
|
| 2 |
+
RDKit 3D
|
| 3 |
+
|
| 4 |
+
58 60 0 0 0 0 0 0 0 0999 V2000
|
| 5 |
+
6.3630 -12.3608 -1.3401 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 6 |
+
7.1605 -11.6367 -2.4129 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 7 |
+
7.3430 -12.5313 -3.6216 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 8 |
+
6.4538 -10.3330 -2.8173 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 9 |
+
7.2590 -9.5559 -3.7601 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 10 |
+
6.7595 -9.0115 -4.8675 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 11 |
+
5.5789 -9.1606 -5.2160 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 12 |
+
7.6848 -8.1715 -5.7131 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 13 |
+
9.0892 -8.3957 -5.4494 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 14 |
+
9.6799 -9.5206 -5.8235 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 15 |
+
9.0766 -10.4446 -6.3801 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 16 |
+
11.1790 -9.6115 -5.5589 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 17 |
+
11.9508 -9.4233 -6.8701 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 18 |
+
11.7447 -8.0472 -7.4905 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 19 |
+
12.6037 -6.9866 -7.1983 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 20 |
+
12.3892 -5.7020 -7.7475 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 21 |
+
11.3128 -5.4836 -8.5822 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 22 |
+
10.4372 -6.5311 -8.8736 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 23 |
+
10.6620 -7.8067 -8.3216 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 24 |
+
11.4816 -10.8882 -4.9286 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 25 |
+
11.0346 -11.1471 -3.6975 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 26 |
+
10.3590 -10.3357 -3.0405 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 27 |
+
11.3852 -12.5019 -3.1133 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 28 |
+
10.6981 -13.5925 -3.7837 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 29 |
+
6.1692 -9.4704 -1.5939 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 30 |
+
7.0933 -8.9248 -0.9730 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 31 |
+
4.8934 -9.3636 -1.2389 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 32 |
+
4.4881 -8.4874 -0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 33 |
+
4.9668 -9.0863 1.1875 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 34 |
+
4.8566 -10.3123 1.3699 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 35 |
+
5.4902 -8.2902 2.1163 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 36 |
+
5.8310 -6.8562 1.9834 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 37 |
+
6.8579 -6.6318 3.0532 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 38 |
+
6.6431 -7.6334 4.0820 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 39 |
+
6.0045 -8.8399 3.3836 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 40 |
+
4.9298 -9.4349 4.2858 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 41 |
+
3.7270 -9.3572 4.0520 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 42 |
+
5.4398 -10.0254 5.3752 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 43 |
+
4.6563 -10.4154 6.5364 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 44 |
+
4.4920 -11.9482 6.6036 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 45 |
+
3.3436 -12.3656 5.8844 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 46 |
+
5.3363 -9.8822 7.7990 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 47 |
+
6.5647 -9.7326 7.8524 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 48 |
+
4.5136 -9.5665 8.7986 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 49 |
+
4.9577 -9.1615 10.1401 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 50 |
+
4.1312 -9.9289 11.1921 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 51 |
+
4.2244 -11.4290 11.0554 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 52 |
+
5.0327 -12.1704 11.9065 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 53 |
+
5.1361 -13.5446 11.7705 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 54 |
+
4.4323 -14.1910 10.7828 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 55 |
+
3.6249 -13.4676 9.9253 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 56 |
+
3.5213 -12.0955 10.0642 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 57 |
+
6.4501 -9.3776 10.4076 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 58 |
+
6.8468 -10.2370 11.2034 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 59 |
+
7.3136 -8.7002 9.8378 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 60 |
+
2.9665 -8.3039 -0.1382 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 61 |
+
2.5181 -7.5441 1.1046 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 62 |
+
2.5277 -7.5684 -1.4297 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 63 |
+
24 23 1 0
|
| 64 |
+
23 21 1 0
|
| 65 |
+
21 22 2 0
|
| 66 |
+
21 20 1 0
|
| 67 |
+
20 12 1 0
|
| 68 |
+
12 10 1 0
|
| 69 |
+
12 13 1 0
|
| 70 |
+
10 11 2 0
|
| 71 |
+
10 9 1 0
|
| 72 |
+
13 14 1 0
|
| 73 |
+
14 15 2 0
|
| 74 |
+
14 19 1 0
|
| 75 |
+
15 16 1 0
|
| 76 |
+
19 18 2 0
|
| 77 |
+
16 17 2 0
|
| 78 |
+
18 17 1 0
|
| 79 |
+
9 8 1 0
|
| 80 |
+
8 6 1 0
|
| 81 |
+
6 7 2 0
|
| 82 |
+
6 5 1 0
|
| 83 |
+
5 4 1 0
|
| 84 |
+
4 25 1 0
|
| 85 |
+
4 2 1 0
|
| 86 |
+
25 26 2 0
|
| 87 |
+
25 27 1 0
|
| 88 |
+
2 1 1 0
|
| 89 |
+
2 3 1 0
|
| 90 |
+
27 28 1 0
|
| 91 |
+
28 29 1 0
|
| 92 |
+
28 56 1 0
|
| 93 |
+
29 30 2 0
|
| 94 |
+
29 31 1 0
|
| 95 |
+
56 57 1 0
|
| 96 |
+
56 58 1 0
|
| 97 |
+
31 35 1 0
|
| 98 |
+
31 32 1 0
|
| 99 |
+
35 36 1 0
|
| 100 |
+
35 34 1 0
|
| 101 |
+
36 37 2 0
|
| 102 |
+
36 38 1 0
|
| 103 |
+
34 33 1 0
|
| 104 |
+
33 32 1 0
|
| 105 |
+
38 39 1 0
|
| 106 |
+
39 42 1 0
|
| 107 |
+
39 40 1 0
|
| 108 |
+
42 43 2 0
|
| 109 |
+
42 44 1 0
|
| 110 |
+
40 41 1 0
|
| 111 |
+
44 45 1 0
|
| 112 |
+
45 53 1 0
|
| 113 |
+
45 46 1 0
|
| 114 |
+
53 54 2 0
|
| 115 |
+
53 55 1 0
|
| 116 |
+
46 47 1 0
|
| 117 |
+
47 48 2 0
|
| 118 |
+
47 52 1 0
|
| 119 |
+
48 49 1 0
|
| 120 |
+
52 51 2 0
|
| 121 |
+
49 50 2 0
|
| 122 |
+
51 50 1 0
|
| 123 |
+
M CHG 1 24 1
|
| 124 |
+
M END
|
| 125 |
+
$$$$
|
6qtx/6qtx_af2_holo_protein.pdb
ADDED
|
The diff for this file is too large to render.
See raw diff
|
|
|
6quv/6quv_af2_apo_protein.pdb
ADDED
|
@@ -0,0 +1,1312 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
|
|
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|
|
|
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|
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|
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|
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|
|
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|
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|
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|
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|
|
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|
|
|
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|
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|
|
|
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|
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|
|
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|
|
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|
|
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|
|
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|
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|
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|
|
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|
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|
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|
|
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|
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|
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|
|
|
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|
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|
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|
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|
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|
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| 1 |
+
FoldX generated pdb file
|
| 2 |
+
|
| 3 |
+
Output generated by <BuildModel>
|
| 4 |
+
ATOM 0 N MET A 1 -17.695 15.412 13.812 1.00 84.65
|
| 5 |
+
ATOM 1 CA MET A 1 -17.137 15.177 12.465 1.00 84.65
|
| 6 |
+
ATOM 2 C MET A 1 -16.638 13.746 12.429 1.00 84.65
|
| 7 |
+
ATOM 3 O MET A 1 -15.945 13.363 13.362 1.00 84.65
|
| 8 |
+
ATOM 4 CB MET A 1 -16.004 16.174 12.174 1.00 84.65
|
| 9 |
+
ATOM 5 CG MET A 1 -15.366 15.953 10.801 1.00 84.65
|
| 10 |
+
ATOM 6 SD MET A 1 -14.159 17.208 10.308 1.00 84.65
|
| 11 |
+
ATOM 7 CE MET A 1 -12.915 17.048 11.617 1.00 84.65
|
| 12 |
+
ATOM 8 N THR A 2 -17.034 12.957 11.435 1.00 95.52
|
| 13 |
+
ATOM 9 CA THR A 2 -16.623 11.549 11.329 1.00 95.52
|
| 14 |
+
ATOM 10 C THR A 2 -15.152 11.460 10.921 1.00 95.52
|
| 15 |
+
ATOM 11 O THR A 2 -14.729 12.175 10.014 1.00 95.52
|
| 16 |
+
ATOM 12 CB THR A 2 -17.506 10.807 10.311 1.00 95.52
|
| 17 |
+
ATOM 13 OG1 THR A 2 -18.863 11.069 10.588 1.00 95.52
|
| 18 |
+
ATOM 14 CG2 THR A 2 -17.307 9.292 10.373 1.00 95.52
|
| 19 |
+
ATOM 15 N GLU A 3 -14.382 10.596 11.578 1.00 97.83
|
| 20 |
+
ATOM 16 CA GLU A 3 -13.004 10.260 11.197 1.00 97.83
|
| 21 |
+
ATOM 17 C GLU A 3 -12.985 8.909 10.464 1.00 97.83
|
| 22 |
+
ATOM 18 O GLU A 3 -13.749 7.996 10.808 1.00 97.83
|
| 23 |
+
ATOM 19 CB GLU A 3 -12.103 10.282 12.446 1.00 97.83
|
| 24 |
+
ATOM 20 CG GLU A 3 -10.598 10.137 12.151 1.00 97.83
|
| 25 |
+
ATOM 21 CD GLU A 3 -9.765 10.151 13.447 1.00 97.83
|
| 26 |
+
ATOM 22 OE1 GLU A 3 -8.923 9.243 13.631 1.00 97.83
|
| 27 |
+
ATOM 23 OE2 GLU A 3 -10.003 11.048 14.289 1.00 97.83
|
| 28 |
+
ATOM 24 N TYR A 4 -12.132 8.805 9.444 1.00 98.48
|
| 29 |
+
ATOM 25 CA TYR A 4 -11.878 7.580 8.689 1.00 98.48
|
| 30 |
+
ATOM 26 C TYR A 4 -10.377 7.293 8.665 1.00 98.48
|
| 31 |
+
ATOM 27 O TYR A 4 -9.612 8.085 8.109 1.00 98.48
|
| 32 |
+
ATOM 28 CB TYR A 4 -12.423 7.715 7.258 1.00 98.48
|
| 33 |
+
ATOM 29 CG TYR A 4 -13.926 7.892 7.167 1.00 98.48
|
| 34 |
+
ATOM 30 CD1 TYR A 4 -14.770 6.777 7.314 1.00 98.48
|
| 35 |
+
ATOM 31 CD2 TYR A 4 -14.482 9.165 6.933 1.00 98.48
|
| 36 |
+
ATOM 32 CE1 TYR A 4 -16.168 6.927 7.225 1.00 98.48
|
| 37 |
+
ATOM 33 CE2 TYR A 4 -15.881 9.323 6.862 1.00 98.48
|
| 38 |
+
ATOM 34 CZ TYR A 4 -16.727 8.206 7.012 1.00 98.48
|
| 39 |
+
ATOM 35 OH TYR A 4 -18.080 8.361 6.987 1.00 98.48
|
| 40 |
+
ATOM 36 N LYS A 5 -9.966 6.154 9.233 1.00 98.33
|
| 41 |
+
ATOM 37 CA LYS A 5 -8.559 5.721 9.245 1.00 98.33
|
| 42 |
+
ATOM 38 C LYS A 5 -8.235 4.916 7.996 1.00 98.33
|
| 43 |
+
ATOM 39 O LYS A 5 -8.637 3.759 7.878 1.00 98.33
|
| 44 |
+
ATOM 40 CB LYS A 5 -8.228 4.942 10.521 1.00 98.33
|
| 45 |
+
ATOM 41 CG LYS A 5 -8.483 5.804 11.758 1.00 98.33
|
| 46 |
+
ATOM 42 CD LYS A 5 -8.088 5.064 13.030 1.00 98.33
|
| 47 |
+
ATOM 43 CE LYS A 5 -8.363 6.029 14.182 1.00 98.33
|
| 48 |
+
ATOM 44 NZ LYS A 5 -7.900 5.475 15.470 1.00 98.33
|
| 49 |
+
ATOM 45 N LEU A 6 -7.530 5.523 7.056 1.00 98.61
|
| 50 |
+
ATOM 46 CA LEU A 6 -7.174 4.922 5.776 1.00 98.61
|
| 51 |
+
ATOM 47 C LEU A 6 -5.716 4.474 5.816 1.00 98.61
|
| 52 |
+
ATOM 48 O LEU A 6 -4.862 5.203 6.309 1.00 98.61
|
| 53 |
+
ATOM 49 CB LEU A 6 -7.421 5.921 4.632 1.00 98.61
|
| 54 |
+
ATOM 50 CG LEU A 6 -8.776 6.655 4.659 1.00 98.61
|
| 55 |
+
ATOM 51 CD1 LEU A 6 -8.932 7.485 3.385 1.00 98.61
|
| 56 |
+
ATOM 52 CD2 LEU A 6 -9.970 5.704 4.747 1.00 98.61
|
| 57 |
+
ATOM 53 N VAL A 7 -5.414 3.303 5.268 1.00 98.29
|
| 58 |
+
ATOM 54 CA VAL A 7 -4.032 2.818 5.159 1.00 98.29
|
| 59 |
+
ATOM 55 C VAL A 7 -3.700 2.573 3.697 1.00 98.29
|
| 60 |
+
ATOM 56 O VAL A 7 -4.459 1.912 2.983 1.00 98.29
|
| 61 |
+
ATOM 57 CB VAL A 7 -3.803 1.564 6.013 1.00 98.29
|
| 62 |
+
ATOM 58 CG1 VAL A 7 -2.329 1.151 6.004 1.00 98.29
|
| 63 |
+
ATOM 59 CG2 VAL A 7 -4.206 1.784 7.476 1.00 98.29
|
| 64 |
+
ATOM 60 N VAL A 8 -2.568 3.100 3.242 1.00 98.17
|
| 65 |
+
ATOM 61 CA VAL A 8 -2.085 2.906 1.873 1.00 98.17
|
| 66 |
+
ATOM 62 C VAL A 8 -1.025 1.814 1.883 1.00 98.17
|
| 67 |
+
ATOM 63 O VAL A 8 0.051 2.001 2.439 1.00 98.17
|
| 68 |
+
ATOM 64 CB VAL A 8 -1.557 4.219 1.264 1.00 98.17
|
| 69 |
+
ATOM 65 CG1 VAL A 8 -1.382 4.052 -0.249 1.00 98.17
|
| 70 |
+
ATOM 66 CG2 VAL A 8 -2.527 5.388 1.488 1.00 98.17
|
| 71 |
+
ATOM 67 N VAL A 9 -1.319 0.672 1.260 1.00 97.43
|
| 72 |
+
ATOM 68 CA VAL A 9 -0.423 -0.493 1.198 1.00 97.43
|
| 73 |
+
ATOM 69 C VAL A 9 -0.056 -0.839 -0.241 1.00 97.43
|
| 74 |
+
ATOM 70 O VAL A 9 -0.736 -0.454 -1.189 1.00 97.43
|
| 75 |
+
ATOM 71 CB VAL A 9 -1.001 -1.724 1.919 1.00 97.43
|
| 76 |
+
ATOM 72 CG1 VAL A 9 -1.263 -1.449 3.401 1.00 97.43
|
| 77 |
+
ATOM 73 CG2 VAL A 9 -2.288 -2.253 1.280 1.00 97.43
|
| 78 |
+
ATOM 74 N GLY A 10 1.044 -1.566 -0.413 1.00 97.52
|
| 79 |
+
ATOM 75 CA GLY A 10 1.580 -1.937 -1.721 1.00 97.52
|
| 80 |
+
ATOM 76 C GLY A 10 3.103 -1.931 -1.734 1.00 97.52
|
| 81 |
+
ATOM 77 O GLY A 10 3.739 -1.379 -0.827 1.00 97.52
|
| 82 |
+
ATOM 78 N ALA A 11 3.683 -2.521 -2.778 1.00 96.21
|
| 83 |
+
ATOM 79 CA ALA A 11 5.127 -2.700 -2.911 1.00 96.21
|
| 84 |
+
ATOM 80 C ALA A 11 5.918 -1.372 -2.879 1.00 96.21
|
| 85 |
+
ATOM 81 O ALA A 11 5.368 -0.264 -2.969 1.00 96.21
|
| 86 |
+
ATOM 82 CB ALA A 11 5.389 -3.505 -4.192 1.00 96.21
|
| 87 |
+
ATOM 83 N ASP A 12 7.241 -1.468 -2.736 1.00 94.86
|
| 88 |
+
ATOM 84 CA ASP A 12 8.153 -0.330 -2.883 1.00 94.86
|
| 89 |
+
ATOM 85 C ASP A 12 7.988 0.368 -4.240 1.00 94.86
|
| 90 |
+
ATOM 86 O ASP A 12 7.707 -0.266 -5.255 1.00 94.86
|
| 91 |
+
ATOM 87 CB ASP A 12 9.601 -0.790 -2.701 1.00 94.86
|
| 92 |
+
ATOM 88 CG ASP A 12 10.205 -1.334 -3.981 1.00 94.86
|
| 93 |
+
ATOM 89 OD1 ASP A 12 9.803 -2.437 -4.406 1.00 94.86
|
| 94 |
+
ATOM 90 OD2 ASP A 12 11.081 -0.657 -4.558 1.00 94.86
|
| 95 |
+
ATOM 91 N GLY A 13 8.110 1.697 -4.268 1.00 94.74
|
| 96 |
+
ATOM 92 CA GLY A 13 8.124 2.473 -5.516 1.00 94.74
|
| 97 |
+
ATOM 93 C GLY A 13 6.813 2.546 -6.317 1.00 94.74
|
| 98 |
+
ATOM 94 O GLY A 13 6.799 3.171 -7.379 1.00 94.74
|
| 99 |
+
ATOM 95 N VAL A 14 5.693 1.976 -5.851 1.00 97.27
|
| 100 |
+
ATOM 96 CA VAL A 14 4.401 2.035 -6.579 1.00 97.27
|
| 101 |
+
ATOM 97 C VAL A 14 3.746 3.425 -6.564 1.00 97.27
|
| 102 |
+
ATOM 98 O VAL A 14 2.884 3.715 -7.391 1.00 97.27
|
| 103 |
+
ATOM 99 CB VAL A 14 3.399 0.970 -6.095 1.00 97.27
|
| 104 |
+
ATOM 100 CG1 VAL A 14 3.984 -0.437 -6.231 1.00 97.27
|
| 105 |
+
ATOM 101 CG2 VAL A 14 2.947 1.217 -4.653 1.00 97.27
|
| 106 |
+
ATOM 102 N GLY A 15 4.190 4.312 -5.666 1.00 97.16
|
| 107 |
+
ATOM 103 CA GLY A 15 3.721 5.699 -5.549 1.00 97.16
|
| 108 |
+
ATOM 104 C GLY A 15 2.663 5.940 -4.466 1.00 97.16
|
| 109 |
+
ATOM 105 O GLY A 15 1.819 6.809 -4.649 1.00 97.16
|
| 110 |
+
ATOM 106 N LYS A 16 2.707 5.192 -3.353 1.00 97.61
|
| 111 |
+
ATOM 107 CA LYS A 16 1.819 5.372 -2.185 1.00 97.61
|
| 112 |
+
ATOM 108 C LYS A 16 1.918 6.788 -1.610 1.00 97.61
|
| 113 |
+
ATOM 109 O LYS A 16 0.941 7.527 -1.627 1.00 97.61
|
| 114 |
+
ATOM 110 CB LYS A 16 2.155 4.346 -1.093 1.00 97.61
|
| 115 |
+
ATOM 111 CG LYS A 16 1.653 2.940 -1.445 1.00 97.61
|
| 116 |
+
ATOM 112 CD LYS A 16 2.593 1.853 -0.927 1.00 97.61
|
| 117 |
+
ATOM 113 CE LYS A 16 2.539 1.668 0.586 1.00 97.61
|
| 118 |
+
ATOM 114 NZ LYS A 16 3.572 0.727 1.068 1.00 97.61
|
| 119 |
+
ATOM 115 N SER A 17 3.134 7.198 -1.271 1.00 96.61
|
| 120 |
+
ATOM 116 CA SER A 17 3.468 8.531 -0.763 1.00 96.61
|
| 121 |
+
ATOM 117 C SER A 17 3.124 9.620 -1.763 1.00 96.61
|
| 122 |
+
ATOM 118 O SER A 17 2.509 10.613 -1.402 1.00 96.61
|
| 123 |
+
ATOM 119 CB SER A 17 4.962 8.587 -0.427 1.00 96.61
|
| 124 |
+
ATOM 120 OG SER A 17 5.336 7.322 0.063 1.00 96.61
|
| 125 |
+
ATOM 121 N ALA A 18 3.413 9.401 -3.049 1.00 97.02
|
| 126 |
+
ATOM 122 CA ALA A 18 3.056 10.346 -4.103 1.00 97.02
|
| 127 |
+
ATOM 123 C ALA A 18 1.533 10.552 -4.206 1.00 97.02
|
| 128 |
+
ATOM 124 O ALA A 18 1.086 11.682 -4.368 1.00 97.02
|
| 129 |
+
ATOM 125 CB ALA A 18 3.660 9.865 -5.427 1.00 97.02
|
| 130 |
+
ATOM 126 N LEU A 19 0.723 9.492 -4.082 1.00 98.06
|
| 131 |
+
ATOM 127 CA LEU A 19 -0.739 9.611 -4.038 1.00 98.06
|
| 132 |
+
ATOM 128 C LEU A 19 -1.209 10.357 -2.785 1.00 98.06
|
| 133 |
+
ATOM 129 O LEU A 19 -2.051 11.249 -2.891 1.00 98.06
|
| 134 |
+
ATOM 130 CB LEU A 19 -1.386 8.213 -4.093 1.00 98.06
|
| 135 |
+
ATOM 131 CG LEU A 19 -1.335 7.527 -5.465 1.00 98.06
|
| 136 |
+
ATOM 132 CD1 LEU A 19 -1.783 6.072 -5.326 1.00 98.06
|
| 137 |
+
ATOM 133 CD2 LEU A 19 -2.253 8.221 -6.471 1.00 98.06
|
| 138 |
+
ATOM 134 N THR A 20 -0.656 10.017 -1.619 1.00 97.18
|
| 139 |
+
ATOM 135 CA THR A 20 -0.998 10.657 -0.343 1.00 97.18
|
| 140 |
+
ATOM 136 C THR A 20 -0.639 12.142 -0.357 1.00 97.18
|
| 141 |
+
ATOM 137 O THR A 20 -1.503 12.981 -0.128 1.00 97.18
|
| 142 |
+
ATOM 138 CB THR A 20 -0.316 9.934 0.829 1.00 97.18
|
| 143 |
+
ATOM 139 OG1 THR A 20 -0.717 8.584 0.832 1.00 97.18
|
| 144 |
+
ATOM 140 CG2 THR A 20 -0.722 10.519 2.178 1.00 97.18
|
| 145 |
+
ATOM 141 N ILE A 21 0.592 12.501 -0.716 1.00 95.69
|
| 146 |
+
ATOM 142 CA ILE A 21 1.052 13.893 -0.814 1.00 95.69
|
| 147 |
+
ATOM 143 C ILE A 21 0.240 14.659 -1.862 1.00 95.69
|
| 148 |
+
ATOM 144 O ILE A 21 -0.193 15.778 -1.587 1.00 95.69
|
| 149 |
+
ATOM 145 CB ILE A 21 2.567 13.939 -1.113 1.00 95.69
|
| 150 |
+
ATOM 146 CG1 ILE A 21 3.364 13.380 0.091 1.00 95.69
|
| 151 |
+
ATOM 147 CG2 ILE A 21 3.034 15.375 -1.423 1.00 95.69
|
| 152 |
+
ATOM 148 CD1 ILE A 21 4.830 13.072 -0.236 1.00 95.69
|
| 153 |
+
ATOM 149 N GLN A 22 -0.055 14.055 -3.018 1.00 97.24
|
| 154 |
+
ATOM 150 CA GLN A 22 -0.873 14.702 -4.045 1.00 97.24
|
| 155 |
+
ATOM 151 C GLN A 22 -2.293 14.990 -3.539 1.00 97.24
|
| 156 |
+
ATOM 152 O GLN A 22 -2.836 16.061 -3.805 1.00 97.24
|
| 157 |
+
ATOM 153 CB GLN A 22 -0.868 13.844 -5.322 1.00 97.24
|
| 158 |
+
ATOM 154 CG GLN A 22 -1.582 14.486 -6.517 1.00 97.24
|
| 159 |
+
ATOM 155 CD GLN A 22 -0.876 15.736 -7.031 1.00 97.24
|
| 160 |
+
ATOM 156 OE1 GLN A 22 -0.889 16.782 -6.418 1.00 97.24
|
| 161 |
+
ATOM 157 NE2 GLN A 22 -0.281 15.716 -8.197 1.00 97.24
|
| 162 |
+
ATOM 158 N LEU A 23 -2.888 14.087 -2.751 1.00 97.18
|
| 163 |
+
ATOM 159 CA LEU A 23 -4.159 14.359 -2.085 1.00 97.18
|
| 164 |
+
ATOM 160 C LEU A 23 -4.022 15.483 -1.051 1.00 97.18
|
| 165 |
+
ATOM 161 O LEU A 23 -4.876 16.366 -1.001 1.00 97.18
|
| 166 |
+
ATOM 162 CB LEU A 23 -4.688 13.075 -1.420 1.00 97.18
|
| 167 |
+
ATOM 163 CG LEU A 23 -6.006 13.292 -0.652 1.00 97.18
|
| 168 |
+
ATOM 164 CD1 LEU A 23 -7.184 13.548 -1.591 1.00 97.18
|
| 169 |
+
ATOM 165 CD2 LEU A 23 -6.317 12.075 0.197 1.00 97.18
|
| 170 |
+
ATOM 166 N ILE A 24 -3.010 15.438 -0.185 1.00 95.55
|
| 171 |
+
ATOM 167 CA ILE A 24 -2.899 16.339 0.971 1.00 95.55
|
| 172 |
+
ATOM 168 C ILE A 24 -2.499 17.755 0.550 1.00 95.55
|
| 173 |
+
ATOM 169 O ILE A 24 -3.127 18.721 0.983 1.00 95.55
|
| 174 |
+
ATOM 170 CB ILE A 24 -1.952 15.743 2.036 1.00 95.55
|
| 175 |
+
ATOM 171 CG1 ILE A 24 -2.465 14.394 2.599 1.00 95.55
|
| 176 |
+
ATOM 172 CG2 ILE A 24 -1.717 16.727 3.199 1.00 95.55
|
| 177 |
+
ATOM 173 CD1 ILE A 24 -3.751 14.442 3.423 1.00 95.55
|
| 178 |
+
ATOM 174 N GLN A 25 -1.489 17.870 -0.308 1.00 93.13
|
| 179 |
+
ATOM 175 CA GLN A 25 -0.780 19.113 -0.611 1.00 93.13
|
| 180 |
+
ATOM 176 C GLN A 25 -1.019 19.626 -2.038 1.00 93.13
|
| 181 |
+
ATOM 177 O GLN A 25 -0.592 20.733 -2.350 1.00 93.13
|
| 182 |
+
ATOM 178 CB GLN A 25 0.723 18.907 -0.355 1.00 93.13
|
| 183 |
+
ATOM 179 CG GLN A 25 1.028 18.303 1.029 1.00 93.13
|
| 184 |
+
ATOM 180 CD GLN A 25 0.939 19.322 2.160 1.00 93.13
|
| 185 |
+
ATOM 181 OE1 GLN A 25 1.896 19.630 2.843 1.00 93.13
|
| 186 |
+
ATOM 182 NE2 GLN A 25 -0.225 19.880 2.413 1.00 93.13
|
| 187 |
+
ATOM 183 N ASN A 26 -1.704 18.865 -2.905 1.00 93.56
|
| 188 |
+
ATOM 184 CA ASN A 26 -1.803 19.159 -4.344 1.00 93.56
|
| 189 |
+
ATOM 185 C ASN A 26 -0.422 19.350 -4.996 1.00 93.56
|
| 190 |
+
ATOM 186 O ASN A 26 -0.233 20.231 -5.839 1.00 93.56
|
| 191 |
+
ATOM 187 CB ASN A 26 -2.750 20.342 -4.606 1.00 93.56
|
| 192 |
+
ATOM 188 CG ASN A 26 -4.128 20.149 -4.024 1.00 93.56
|
| 193 |
+
ATOM 189 OD1 ASN A 26 -4.722 21.026 -3.426 1.00 93.56
|
| 194 |
+
ATOM 190 ND2 ASN A 26 -4.672 18.960 -4.129 1.00 93.56
|
| 195 |
+
ATOM 191 N HIS A 27 0.548 18.546 -4.560 1.00 91.49
|
| 196 |
+
ATOM 192 CA HIS A 27 1.921 18.590 -5.025 1.00 91.49
|
| 197 |
+
ATOM 193 C HIS A 27 2.402 17.196 -5.440 1.00 91.49
|
| 198 |
+
ATOM 194 O HIS A 27 2.034 16.191 -4.833 1.00 91.49
|
| 199 |
+
ATOM 195 CB HIS A 27 2.790 19.212 -3.928 1.00 91.49
|
| 200 |
+
ATOM 196 CG HIS A 27 4.194 19.473 -4.395 1.00 91.49
|
| 201 |
+
ATOM 197 ND1 HIS A 27 4.558 20.247 -5.475 1.00 91.49
|
| 202 |
+
ATOM 198 CD2 HIS A 27 5.341 18.959 -3.856 1.00 91.49
|
| 203 |
+
ATOM 199 CE1 HIS A 27 5.895 20.190 -5.590 1.00 91.49
|
| 204 |
+
ATOM 200 NE2 HIS A 27 6.412 19.423 -4.623 1.00 91.49
|
| 205 |
+
ATOM 201 N PHE A 28 3.243 17.145 -6.473 1.00 90.66
|
| 206 |
+
ATOM 202 CA PHE A 28 3.912 15.929 -6.920 1.00 90.66
|
| 207 |
+
ATOM 203 C PHE A 28 5.423 16.112 -6.787 1.00 90.66
|
| 208 |
+
ATOM 204 O PHE A 28 5.993 16.998 -7.424 1.00 90.66
|
| 209 |
+
ATOM 205 CB PHE A 28 3.499 15.595 -8.358 1.00 90.66
|
| 210 |
+
ATOM 206 CG PHE A 28 4.204 14.371 -8.906 1.00 90.66
|
| 211 |
+
ATOM 207 CD1 PHE A 28 5.299 14.514 -9.779 1.00 90.66
|
| 212 |
+
ATOM 208 CD2 PHE A 28 3.799 13.087 -8.495 1.00 90.66
|
| 213 |
+
ATOM 209 CE1 PHE A 28 5.982 13.378 -10.245 1.00 90.66
|
| 214 |
+
ATOM 210 CE2 PHE A 28 4.478 11.950 -8.969 1.00 90.66
|
| 215 |
+
ATOM 211 CZ PHE A 28 5.572 12.097 -9.841 1.00 90.66
|
| 216 |
+
ATOM 212 N VAL A 29 6.044 15.261 -5.971 1.00 82.26
|
| 217 |
+
ATOM 213 CA VAL A 29 7.497 15.177 -5.803 1.00 82.26
|
| 218 |
+
ATOM 214 C VAL A 29 8.004 14.060 -6.713 1.00 82.26
|
| 219 |
+
ATOM 215 O VAL A 29 7.539 12.926 -6.607 1.00 82.26
|
| 220 |
+
ATOM 216 CB VAL A 29 7.874 14.925 -4.328 1.00 82.26
|
| 221 |
+
ATOM 217 CG1 VAL A 29 9.394 14.926 -4.137 1.00 82.26
|
| 222 |
+
ATOM 218 CG2 VAL A 29 7.280 15.998 -3.403 1.00 82.26
|
| 223 |
+
ATOM 219 N ASP A 30 8.909 14.392 -7.634 1.00 81.97
|
| 224 |
+
ATOM 220 CA ASP A 30 9.453 13.438 -8.617 1.00 81.97
|
| 225 |
+
ATOM 221 C ASP A 30 10.577 12.566 -8.026 1.00 81.97
|
| 226 |
+
ATOM 222 O ASP A 30 10.848 11.463 -8.496 1.00 81.97
|
| 227 |
+
ATOM 223 CB ASP A 30 9.928 14.230 -9.852 1.00 81.97
|
| 228 |
+
ATOM 224 CG ASP A 30 9.984 13.423 -11.160 1.00 81.97
|
| 229 |
+
ATOM 225 OD1 ASP A 30 9.253 12.411 -11.288 1.00 81.97
|
| 230 |
+
ATOM 226 OD2 ASP A 30 10.630 13.913 -12.114 1.00 81.97
|
| 231 |
+
ATOM 227 N GLU A 31 11.219 13.043 -6.957 1.00 85.88
|
| 232 |
+
ATOM 228 CA GLU A 31 12.271 12.317 -6.249 1.00 85.88
|
| 233 |
+
ATOM 229 C GLU A 31 11.693 11.171 -5.410 1.00 85.88
|
| 234 |
+
ATOM 230 O GLU A 31 10.680 11.317 -4.722 1.00 85.88
|
| 235 |
+
ATOM 231 CB GLU A 31 13.106 13.277 -5.389 1.00 85.88
|
| 236 |
+
ATOM 232 CG GLU A 31 13.895 14.268 -6.263 1.00 85.88
|
| 237 |
+
ATOM 233 CD GLU A 31 14.731 15.277 -5.461 1.00 85.88
|
| 238 |
+
ATOM 234 OE1 GLU A 31 15.277 16.198 -6.111 1.00 85.88
|
| 239 |
+
ATOM 235 OE2 GLU A 31 14.824 15.136 -4.222 1.00 85.88
|
| 240 |
+
ATOM 236 N TYR A 32 12.352 10.011 -5.466 1.00 79.81
|
| 241 |
+
ATOM 237 CA TYR A 32 11.962 8.841 -4.689 1.00 79.81
|
| 242 |
+
ATOM 238 C TYR A 32 12.799 8.730 -3.415 1.00 79.81
|
| 243 |
+
ATOM 239 O TYR A 32 13.950 8.297 -3.468 1.00 79.81
|
| 244 |
+
ATOM 240 CB TYR A 32 12.047 7.571 -5.550 1.00 79.81
|
| 245 |
+
ATOM 241 CG TYR A 32 11.628 6.312 -4.806 1.00 79.81
|
| 246 |
+
ATOM 242 CD1 TYR A 32 12.547 5.265 -4.592 1.00 79.81
|
| 247 |
+
ATOM 243 CD2 TYR A 32 10.329 6.222 -4.271 1.00 79.81
|
| 248 |
+
ATOM 244 CE1 TYR A 32 12.163 4.124 -3.861 1.00 79.81
|
| 249 |
+
ATOM 245 CE2 TYR A 32 9.958 5.111 -3.493 1.00 79.81
|
| 250 |
+
ATOM 246 CZ TYR A 32 10.876 4.060 -3.287 1.00 79.81
|
| 251 |
+
ATOM 247 OH TYR A 32 10.519 3.014 -2.496 1.00 79.81
|
| 252 |
+
ATOM 248 N ASP A 33 12.179 9.053 -2.281 1.00 84.91
|
| 253 |
+
ATOM 249 CA ASP A 33 12.678 8.721 -0.947 1.00 84.91
|
| 254 |
+
ATOM 250 C ASP A 33 11.824 7.579 -0.351 1.00 84.91
|
| 255 |
+
ATOM 251 O ASP A 33 10.601 7.728 -0.237 1.00 84.91
|
| 256 |
+
ATOM 252 CB ASP A 33 12.683 9.976 -0.060 1.00 84.91
|
| 257 |
+
ATOM 253 CG ASP A 33 13.448 9.766 1.253 1.00 84.91
|
| 258 |
+
ATOM 254 OD1 ASP A 33 14.064 8.686 1.410 1.00 84.91
|
| 259 |
+
ATOM 255 OD2 ASP A 33 13.442 10.708 2.074 1.00 84.91
|
| 260 |
+
ATOM 256 N PRO A 34 12.393 6.393 -0.052 1.00 86.47
|
| 261 |
+
ATOM 257 CA PRO A 34 11.644 5.291 0.541 1.00 86.47
|
| 262 |
+
ATOM 258 C PRO A 34 11.029 5.642 1.905 1.00 86.47
|
| 263 |
+
ATOM 259 O PRO A 34 11.718 5.762 2.912 1.00 86.47
|
| 264 |
+
ATOM 260 CB PRO A 34 12.632 4.120 0.649 1.00 86.47
|
| 265 |
+
ATOM 261 CG PRO A 34 13.681 4.433 -0.414 1.00 86.47
|
| 266 |
+
ATOM 262 CD PRO A 34 13.735 5.958 -0.407 1.00 86.47
|
| 267 |
+
ATOM 263 N THR A 35 9.700 5.693 1.962 1.00 84.27
|
| 268 |
+
ATOM 264 CA THR A 35 8.957 5.886 3.216 1.00 84.27
|
| 269 |
+
ATOM 265 C THR A 35 9.138 4.722 4.184 1.00 84.27
|
| 270 |
+
ATOM 266 O THR A 35 9.104 3.555 3.780 1.00 84.27
|
| 271 |
+
ATOM 267 CB THR A 35 7.465 6.067 2.928 1.00 84.27
|
| 272 |
+
ATOM 268 OG1 THR A 35 7.345 7.053 1.945 1.00 84.27
|
| 273 |
+
ATOM 269 CG2 THR A 35 6.637 6.513 4.130 1.00 84.27
|
| 274 |
+
ATOM 270 N ILE A 36 9.244 5.047 5.473 1.00 83.30
|
| 275 |
+
ATOM 271 CA ILE A 36 9.154 4.091 6.583 1.00 83.30
|
| 276 |
+
ATOM 272 C ILE A 36 7.698 4.011 7.059 1.00 83.30
|
| 277 |
+
ATOM 273 O ILE A 36 7.043 2.978 6.912 1.00 83.30
|
| 278 |
+
ATOM 274 CB ILE A 36 10.149 4.462 7.708 1.00 83.30
|
| 279 |
+
ATOM 275 CG1 ILE A 36 11.595 4.424 7.158 1.00 83.30
|
| 280 |
+
ATOM 276 CG2 ILE A 36 9.972 3.509 8.906 1.00 83.30
|
| 281 |
+
ATOM 277 CD1 ILE A 36 12.681 4.782 8.180 1.00 83.30
|
| 282 |
+
ATOM 278 N GLU A 37 7.178 5.117 7.586 1.00 87.32
|
| 283 |
+
ATOM 279 CA GLU A 37 5.781 5.303 7.978 1.00 87.32
|
| 284 |
+
ATOM 280 C GLU A 37 5.529 6.803 8.176 1.00 87.32
|
| 285 |
+
ATOM 281 O GLU A 37 6.302 7.448 8.881 1.00 87.32
|
| 286 |
+
ATOM 282 CB GLU A 37 5.497 4.534 9.285 1.00 87.32
|
| 287 |
+
ATOM 283 CG GLU A 37 4.021 4.600 9.693 1.00 87.32
|
| 288 |
+
ATOM 284 CD GLU A 37 3.736 3.771 10.956 1.00 87.32
|
| 289 |
+
ATOM 285 OE1 GLU A 37 3.577 4.373 12.044 1.00 87.32
|
| 290 |
+
ATOM 286 OE2 GLU A 37 3.619 2.527 10.831 1.00 87.32
|
| 291 |
+
ATOM 287 N ASP A 38 4.455 7.340 7.596 1.00 93.08
|
| 292 |
+
ATOM 288 CA ASP A 38 4.028 8.729 7.790 1.00 93.08
|
| 293 |
+
ATOM 289 C ASP A 38 2.506 8.816 7.963 1.00 93.08
|
| 294 |
+
ATOM 290 O ASP A 38 1.738 8.127 7.287 1.00 93.08
|
| 295 |
+
ATOM 291 CB ASP A 38 4.482 9.619 6.623 1.00 93.08
|
| 296 |
+
ATOM 292 CG ASP A 38 5.937 10.071 6.748 1.00 93.08
|
| 297 |
+
ATOM 293 OD1 ASP A 38 6.239 10.718 7.777 1.00 93.08
|
| 298 |
+
ATOM 294 OD2 ASP A 38 6.705 9.836 5.787 1.00 93.08
|
| 299 |
+
ATOM 295 N SER A 39 2.050 9.692 8.862 1.00 94.09
|
| 300 |
+
ATOM 296 CA SER A 39 0.626 9.946 9.104 1.00 94.09
|
| 301 |
+
ATOM 297 C SER A 39 0.240 11.348 8.643 1.00 94.09
|
| 302 |
+
ATOM 298 O SER A 39 0.871 12.343 9.004 1.00 94.09
|
| 303 |
+
ATOM 299 CB SER A 39 0.269 9.712 10.574 1.00 94.09
|
| 304 |
+
ATOM 300 OG SER A 39 -1.075 10.074 10.862 1.00 94.09
|
| 305 |
+
ATOM 301 N TYR A 40 -0.837 11.429 7.866 1.00 96.44
|
| 306 |
+
ATOM 302 CA TYR A 40 -1.374 12.666 7.320 1.00 96.44
|
| 307 |
+
ATOM 303 C TYR A 40 -2.846 12.814 7.666 1.00 96.44
|
| 308 |
+
ATOM 304 O TYR A 40 -3.613 11.856 7.629 1.00 96.44
|
| 309 |
+
ATOM 305 CB TYR A 40 -1.205 12.704 5.802 1.00 96.44
|
| 310 |
+
ATOM 306 CG TYR A 40 0.227 12.610 5.331 1.00 96.44
|
| 311 |
+
ATOM 307 CD1 TYR A 40 0.998 13.778 5.165 1.00 96.44
|
| 312 |
+
ATOM 308 CD2 TYR A 40 0.791 11.346 5.074 1.00 96.44
|
| 313 |
+
ATOM 309 CE1 TYR A 40 2.336 13.681 4.734 1.00 96.44
|
| 314 |
+
ATOM 310 CE2 TYR A 40 2.112 11.251 4.607 1.00 96.44
|
| 315 |
+
ATOM 311 CZ TYR A 40 2.891 12.414 4.449 1.00 96.44
|
| 316 |
+
ATOM 312 OH TYR A 40 4.170 12.296 4.016 1.00 96.44
|
| 317 |
+
ATOM 313 N ARG A 41 -3.277 14.050 7.924 1.00 96.98
|
| 318 |
+
ATOM 314 CA ARG A 41 -4.678 14.359 8.212 1.00 96.98
|
| 319 |
+
ATOM 315 C ARG A 41 -5.206 15.440 7.286 1.00 96.98
|
| 320 |
+
ATOM 316 O ARG A 41 -4.554 16.464 7.097 1.00 96.98
|
| 321 |
+
ATOM 317 CB ARG A 41 -4.843 14.703 9.695 1.00 96.98
|
| 322 |
+
ATOM 318 CG ARG A 41 -4.662 13.450 10.563 1.00 96.98
|
| 323 |
+
ATOM 319 CD ARG A 41 -4.822 13.789 12.041 1.00 96.98
|
| 324 |
+
ATOM 320 NE ARG A 41 -4.826 12.558 12.843 1.00 96.98
|
| 325 |
+
ATOM 321 CZ ARG A 41 -5.298 12.419 14.061 1.00 96.98
|
| 326 |
+
ATOM 322 NH1 ARG A 41 -5.651 13.444 14.795 1.00 96.98
|
| 327 |
+
ATOM 323 NH2 ARG A 41 -5.457 11.229 14.544 1.00 96.98
|
| 328 |
+
ATOM 324 N LYS A 42 -6.404 15.236 6.732 1.00 96.85
|
| 329 |
+
ATOM 325 CA LYS A 42 -7.084 16.234 5.889 1.00 96.85
|
| 330 |
+
ATOM 326 C LYS A 42 -8.588 16.216 6.105 1.00 96.85
|
| 331 |
+
ATOM 327 O LYS A 42 -9.232 15.178 5.975 1.00 96.85
|
| 332 |
+
ATOM 328 CB LYS A 42 -6.715 16.008 4.415 1.00 96.85
|
| 333 |
+
ATOM 329 CG LYS A 42 -7.351 17.029 3.459 1.00 96.85
|
| 334 |
+
ATOM 330 CD LYS A 42 -6.672 17.013 2.084 1.00 96.85
|
| 335 |
+
ATOM 331 CE LYS A 42 -6.835 18.372 1.392 1.00 96.85
|
| 336 |
+
ATOM 332 NZ LYS A 42 -5.937 18.519 0.220 1.00 96.85
|
| 337 |
+
ATOM 333 N GLN A 43 -9.149 17.386 6.395 1.00 97.91
|
| 338 |
+
ATOM 334 CA GLN A 43 -10.592 17.591 6.398 1.00 97.91
|
| 339 |
+
ATOM 335 C GLN A 43 -11.088 17.763 4.958 1.00 97.91
|
| 340 |
+
ATOM 336 O GLN A 43 -10.540 18.557 4.194 1.00 97.91
|
| 341 |
+
ATOM 337 CB GLN A 43 -10.937 18.784 7.296 1.00 97.91
|
| 342 |
+
ATOM 338 CG GLN A 43 -12.453 19.000 7.417 1.00 97.91
|
| 343 |
+
ATOM 339 CD GLN A 43 -12.799 20.143 8.366 1.00 97.91
|
| 344 |
+
ATOM 340 OE1 GLN A 43 -12.095 20.460 9.307 1.00 97.91
|
| 345 |
+
ATOM 341 NE2 GLN A 43 -13.902 20.825 8.153 1.00 97.91
|
| 346 |
+
ATOM 342 N VAL A 44 -12.123 17.014 4.588 1.00 97.59
|
| 347 |
+
ATOM 343 CA VAL A 44 -12.724 17.008 3.245 1.00 97.59
|
| 348 |
+
ATOM 344 C VAL A 44 -14.246 16.929 3.348 1.00 97.59
|
| 349 |
+
ATOM 345 O VAL A 44 -14.788 16.616 4.408 1.00 97.59
|
| 350 |
+
ATOM 346 CB VAL A 44 -12.181 15.846 2.384 1.00 97.59
|
| 351 |
+
ATOM 347 CG1 VAL A 44 -10.675 15.962 2.120 1.00 97.59
|
| 352 |
+
ATOM 348 CG2 VAL A 44 -12.443 14.483 3.027 1.00 97.59
|
| 353 |
+
ATOM 349 N VAL A 45 -14.939 17.192 2.240 1.00 97.98
|
| 354 |
+
ATOM 350 CA VAL A 45 -16.382 16.958 2.106 1.00 97.98
|
| 355 |
+
ATOM 351 C VAL A 45 -16.584 15.845 1.085 1.00 97.98
|
| 356 |
+
ATOM 352 O VAL A 45 -16.247 16.020 -0.084 1.00 97.98
|
| 357 |
+
ATOM 353 CB VAL A 45 -17.131 18.244 1.708 1.00 97.98
|
| 358 |
+
ATOM 354 CG1 VAL A 45 -18.639 17.989 1.591 1.00 97.98
|
| 359 |
+
ATOM 355 CG2 VAL A 45 -16.920 19.352 2.749 1.00 97.98
|
| 360 |
+
ATOM 356 N ILE A 46 -17.124 14.704 1.518 1.00 97.85
|
| 361 |
+
ATOM 357 CA ILE A 46 -17.388 13.546 0.652 1.00 97.85
|
| 362 |
+
ATOM 358 C ILE A 46 -18.881 13.253 0.688 1.00 97.85
|
| 363 |
+
ATOM 359 O ILE A 46 -19.416 12.854 1.726 1.00 97.85
|
| 364 |
+
ATOM 360 CB ILE A 46 -16.555 12.305 1.052 1.00 97.85
|
| 365 |
+
ATOM 361 CG1 ILE A 46 -15.045 12.623 1.036 1.00 97.85
|
| 366 |
+
ATOM 362 CG2 ILE A 46 -16.850 11.140 0.082 1.00 97.85
|
| 367 |
+
ATOM 363 CD1 ILE A 46 -14.172 11.495 1.598 1.00 97.85
|
| 368 |
+
ATOM 364 N ASP A 47 -19.537 13.415 -0.461 1.00 97.44
|
| 369 |
+
ATOM 365 CA ASP A 47 -20.984 13.234 -0.639 1.00 97.44
|
| 370 |
+
ATOM 366 C ASP A 47 -21.814 14.137 0.299 1.00 97.44
|
| 371 |
+
ATOM 367 O ASP A 47 -22.812 13.719 0.878 1.00 97.44
|
| 372 |
+
ATOM 368 CB ASP A 47 -21.362 11.740 -0.581 1.00 97.44
|
| 373 |
+
ATOM 369 CG ASP A 47 -20.458 10.839 -1.432 1.00 97.44
|
| 374 |
+
ATOM 370 OD1 ASP A 47 -20.051 11.234 -2.549 1.00 97.44
|
| 375 |
+
ATOM 371 OD2 ASP A 47 -20.096 9.740 -0.954 1.00 97.44
|
| 376 |
+
ATOM 372 N GLY A 48 -21.368 15.386 0.491 1.00 96.98
|
| 377 |
+
ATOM 373 CA GLY A 48 -22.029 16.383 1.346 1.00 96.98
|
| 378 |
+
ATOM 374 C GLY A 48 -21.733 16.262 2.847 1.00 96.98
|
| 379 |
+
ATOM 375 O GLY A 48 -22.097 17.157 3.605 1.00 96.98
|
| 380 |
+
ATOM 376 N GLU A 49 -21.039 15.211 3.291 1.00 96.84
|
| 381 |
+
ATOM 377 CA GLU A 49 -20.628 15.041 4.689 1.00 96.84
|
| 382 |
+
ATOM 378 C GLU A 49 -19.180 15.508 4.887 1.00 96.84
|
| 383 |
+
ATOM 379 O GLU A 49 -18.255 15.010 4.240 1.00 96.84
|
| 384 |
+
ATOM 380 CB GLU A 49 -20.806 13.575 5.115 1.00 96.84
|
| 385 |
+
ATOM 381 CG GLU A 49 -20.539 13.318 6.616 1.00 96.84
|
| 386 |
+
ATOM 382 CD GLU A 49 -20.360 11.828 6.982 1.00 96.84
|
| 387 |
+
ATOM 383 OE1 GLU A 49 -19.852 11.538 8.092 1.00 96.84
|
| 388 |
+
ATOM 384 OE2 GLU A 49 -20.591 10.953 6.116 1.00 96.84
|
| 389 |
+
ATOM 385 N THR A 50 -18.975 16.438 5.822 1.00 97.86
|
| 390 |
+
ATOM 386 CA THR A 50 -17.638 16.833 6.278 1.00 97.86
|
| 391 |
+
ATOM 387 C THR A 50 -17.029 15.735 7.148 1.00 97.86
|
| 392 |
+
ATOM 388 O THR A 50 -17.595 15.369 8.183 1.00 97.86
|
| 393 |
+
ATOM 389 CB THR A 50 -17.684 18.148 7.066 1.00 97.86
|
| 394 |
+
ATOM 390 OG1 THR A 50 -18.300 19.152 6.296 1.00 97.86
|
| 395 |
+
ATOM 391 CG2 THR A 50 -16.292 18.667 7.413 1.00 97.86
|
| 396 |
+
ATOM 392 N CYS A 51 -15.844 15.257 6.776 1.00 98.12
|
| 397 |
+
ATOM 393 CA CYS A 51 -15.114 14.224 7.506 1.00 98.12
|
| 398 |
+
ATOM 394 C CYS A 51 -13.606 14.498 7.562 1.00 98.12
|
| 399 |
+
ATOM 395 O CYS A 51 -13.062 15.253 6.754 1.00 98.12
|
| 400 |
+
ATOM 396 CB CYS A 51 -15.431 12.852 6.897 1.00 98.12
|
| 401 |
+
ATOM 397 SG CYS A 51 -14.893 12.736 5.167 1.00 98.12
|
| 402 |
+
ATOM 398 N LEU A 52 -12.929 13.852 8.511 1.00 98.31
|
| 403 |
+
ATOM 399 CA LEU A 52 -11.474 13.841 8.630 1.00 98.31
|
| 404 |
+
ATOM 400 C LEU A 52 -10.929 12.531 8.066 1.00 98.31
|
| 405 |
+
ATOM 401 O LEU A 52 -11.314 11.454 8.520 1.00 98.31
|
| 406 |
+
ATOM 402 CB LEU A 52 -11.093 14.028 10.108 1.00 98.31
|
| 407 |
+
ATOM 403 CG LEU A 52 -9.583 14.156 10.376 1.00 98.31
|
| 408 |
+
ATOM 404 CD1 LEU A 52 -9.025 15.443 9.763 1.00 98.31
|
| 409 |
+
ATOM 405 CD2 LEU A 52 -9.327 14.202 11.882 1.00 98.31
|
| 410 |
+
ATOM 406 N LEU A 53 -10.028 12.624 7.095 1.00 98.40
|
| 411 |
+
ATOM 407 CA LEU A 53 -9.218 11.489 6.668 1.00 98.40
|
| 412 |
+
ATOM 408 C LEU A 53 -7.969 11.446 7.547 1.00 98.40
|
| 413 |
+
ATOM 409 O LEU A 53 -7.250 12.444 7.598 1.00 98.40
|
| 414 |
+
ATOM 410 CB LEU A 53 -8.859 11.610 5.175 1.00 98.40
|
| 415 |
+
ATOM 411 CG LEU A 53 -10.048 11.882 4.238 1.00 98.40
|
| 416 |
+
ATOM 412 CD1 LEU A 53 -9.577 11.846 2.783 1.00 98.40
|
| 417 |
+
ATOM 413 CD2 LEU A 53 -11.189 10.880 4.410 1.00 98.40
|
| 418 |
+
ATOM 414 N ASP A 54 -7.731 10.322 8.218 1.00 98.11
|
| 419 |
+
ATOM 415 CA ASP A 54 -6.475 10.003 8.904 1.00 98.11
|
| 420 |
+
ATOM 416 C ASP A 54 -5.766 8.924 8.081 1.00 98.11
|
| 421 |
+
ATOM 417 O ASP A 54 -6.195 7.771 8.051 1.00 98.11
|
| 422 |
+
ATOM 418 CB ASP A 54 -6.750 9.575 10.360 1.00 98.11
|
| 423 |
+
ATOM 419 CG ASP A 54 -5.476 9.510 11.219 1.00 98.11
|
| 424 |
+
ATOM 420 OD1 ASP A 54 -4.373 9.698 10.670 1.00 98.11
|
| 425 |
+
ATOM 421 OD2 ASP A 54 -5.591 9.415 12.465 1.00 98.11
|
| 426 |
+
ATOM 422 N ILE A 55 -4.769 9.333 7.303 1.00 98.26
|
| 427 |
+
ATOM 423 CA ILE A 55 -4.118 8.511 6.285 1.00 98.26
|
| 428 |
+
ATOM 424 C ILE A 55 -2.758 8.084 6.802 1.00 98.26
|
| 429 |
+
ATOM 425 O ILE A 55 -1.907 8.923 7.087 1.00 98.26
|
| 430 |
+
ATOM 426 CB ILE A 55 -3.992 9.249 4.936 1.00 98.26
|
| 431 |
+
ATOM 427 CG1 ILE A 55 -5.385 9.690 4.436 1.00 98.26
|
| 432 |
+
ATOM 428 CG2 ILE A 55 -3.304 8.331 3.902 1.00 98.26
|
| 433 |
+
ATOM 429 CD1 ILE A 55 -5.339 10.599 3.209 1.00 98.26
|
| 434 |
+
ATOM 430 N LEU A 56 -2.545 6.777 6.846 1.00 97.34
|
| 435 |
+
ATOM 431 CA LEU A 56 -1.257 6.177 7.132 1.00 97.34
|
| 436 |
+
ATOM 432 C LEU A 56 -0.604 5.715 5.826 1.00 97.34
|
| 437 |
+
ATOM 433 O LEU A 56 -1.097 4.794 5.164 1.00 97.34
|
| 438 |
+
ATOM 434 CB LEU A 56 -1.500 5.051 8.135 1.00 97.34
|
| 439 |
+
ATOM 435 CG LEU A 56 -0.214 4.459 8.721 1.00 97.34
|
| 440 |
+
ATOM 436 CD1 LEU A 56 0.594 5.483 9.513 1.00 97.34
|
| 441 |
+
ATOM 437 CD2 LEU A 56 -0.632 3.365 9.690 1.00 97.34
|
| 442 |
+
ATOM 438 N ASP A 57 0.489 6.373 5.455 1.00 95.31
|
| 443 |
+
ATOM 439 CA ASP A 57 1.378 5.967 4.371 1.00 95.31
|
| 444 |
+
ATOM 440 C ASP A 57 2.455 5.031 4.923 1.00 95.31
|
| 445 |
+
ATOM 441 O ASP A 57 3.105 5.337 5.921 1.00 95.31
|
| 446 |
+
ATOM 442 CB ASP A 57 1.997 7.204 3.708 1.00 95.31
|
| 447 |
+
ATOM 443 CG ASP A 57 2.860 6.836 2.496 1.00 95.31
|
| 448 |
+
ATOM 444 OD1 ASP A 57 2.517 5.858 1.788 1.00 95.31
|
| 449 |
+
ATOM 445 OD2 ASP A 57 3.813 7.580 2.197 1.00 95.31
|
| 450 |
+
ATOM 446 N THR A 58 2.626 3.864 4.305 1.00 94.05
|
| 451 |
+
ATOM 447 CA THR A 58 3.475 2.797 4.850 1.00 94.05
|
| 452 |
+
ATOM 448 C THR A 58 4.695 2.534 3.977 1.00 94.05
|
| 453 |
+
ATOM 449 O THR A 58 4.661 2.691 2.752 1.00 94.05
|
| 454 |
+
ATOM 450 CB THR A 58 2.693 1.487 5.082 1.00 94.05
|
| 455 |
+
ATOM 451 OG1 THR A 58 2.479 0.764 3.883 1.00 94.05
|
| 456 |
+
ATOM 452 CG2 THR A 58 1.347 1.690 5.782 1.00 94.05
|
| 457 |
+
ATOM 453 N ALA A 59 5.745 1.962 4.564 1.00 90.74
|
| 458 |
+
ATOM 454 CA ALA A 59 6.806 1.331 3.792 1.00 90.74
|
| 459 |
+
ATOM 455 C ALA A 59 6.252 0.271 2.830 1.00 90.74
|
| 460 |
+
ATOM 456 O ALA A 59 5.321 -0.480 3.137 1.00 90.74
|
| 461 |
+
ATOM 457 CB ALA A 59 7.845 0.709 4.727 1.00 90.74
|
| 462 |
+
ATOM 458 N GLY A 60 6.847 0.211 1.637 1.00 82.99
|
| 463 |
+
ATOM 459 CA GLY A 60 6.596 -0.865 0.674 1.00 82.99
|
| 464 |
+
ATOM 460 C GLY A 60 7.613 -2.000 0.727 1.00 82.99
|
| 465 |
+
ATOM 461 O GLY A 60 7.391 -3.022 0.085 1.00 82.99
|
| 466 |
+
ATOM 462 N GLN A 61 8.706 -1.813 1.466 1.00 83.13
|
| 467 |
+
ATOM 463 CA GLN A 61 9.832 -2.737 1.459 1.00 83.13
|
| 468 |
+
ATOM 464 C GLN A 61 9.609 -3.922 2.407 1.00 83.13
|
| 469 |
+
ATOM 465 O GLN A 61 8.798 -3.857 3.342 1.00 83.13
|
| 470 |
+
ATOM 466 CB GLN A 61 11.150 -1.990 1.713 1.00 83.13
|
| 471 |
+
ATOM 467 CG GLN A 61 11.624 -0.986 0.655 1.00 83.13
|
| 472 |
+
ATOM 468 CD GLN A 61 13.048 -0.492 0.902 1.00 83.13
|
| 473 |
+
ATOM 469 OE1 GLN A 61 13.412 0.651 0.681 1.00 83.13
|
| 474 |
+
ATOM 470 NE2 GLN A 61 13.907 -1.316 1.454 1.00 83.13
|
| 475 |
+
ATOM 471 N GLU A 62 10.275 -5.040 2.130 1.00 80.94
|
| 476 |
+
ATOM 472 CA GLU A 62 10.112 -6.285 2.888 1.00 80.94
|
| 477 |
+
ATOM 473 C GLU A 62 10.748 -6.209 4.279 1.00 80.94
|
| 478 |
+
ATOM 474 O GLU A 62 10.249 -6.832 5.218 1.00 80.94
|
| 479 |
+
ATOM 475 CB GLU A 62 10.688 -7.471 2.104 1.00 80.94
|
| 480 |
+
ATOM 476 CG GLU A 62 9.866 -7.783 0.844 1.00 80.94
|
| 481 |
+
ATOM 477 CD GLU A 62 10.251 -9.123 0.196 1.00 80.94
|
| 482 |
+
ATOM 478 OE1 GLU A 62 9.370 -9.687 -0.492 1.00 80.94
|
| 483 |
+
ATOM 479 OE2 GLU A 62 11.398 -9.580 0.397 1.00 80.94
|
| 484 |
+
ATOM 480 N GLU A 63 11.776 -5.379 4.451 1.00 84.10
|
| 485 |
+
ATOM 481 CA GLU A 63 12.485 -5.153 5.714 1.00 84.10
|
| 486 |
+
ATOM 482 C GLU A 63 11.550 -4.610 6.807 1.00 84.10
|
| 487 |
+
ATOM 483 O GLU A 63 11.746 -4.879 7.989 1.00 84.10
|
| 488 |
+
ATOM 484 CB GLU A 63 13.663 -4.178 5.508 1.00 84.10
|
| 489 |
+
ATOM 485 CG GLU A 63 14.356 -3.689 6.800 1.00 84.10
|
| 490 |
+
ATOM 486 CD GLU A 63 15.492 -2.674 6.582 1.00 84.10
|
| 491 |
+
ATOM 487 OE1 GLU A 63 15.968 -2.555 5.436 1.00 84.10
|
| 492 |
+
ATOM 488 OE2 GLU A 63 15.870 -1.999 7.564 1.00 84.10
|
| 493 |
+
ATOM 489 N TYR A 64 10.478 -3.914 6.416 1.00 82.63
|
| 494 |
+
ATOM 490 CA TYR A 64 9.457 -3.380 7.324 1.00 82.63
|
| 495 |
+
ATOM 491 C TYR A 64 8.219 -4.288 7.443 1.00 82.63
|
| 496 |
+
ATOM 492 O TYR A 64 7.178 -3.878 7.964 1.00 82.63
|
| 497 |
+
ATOM 493 CB TYR A 64 9.121 -1.941 6.915 1.00 82.63
|
| 498 |
+
ATOM 494 CG TYR A 64 10.319 -1.010 6.966 1.00 82.63
|
| 499 |
+
ATOM 495 CD1 TYR A 64 10.756 -0.490 8.200 1.00 82.63
|
| 500 |
+
ATOM 496 CD2 TYR A 64 11.019 -0.693 5.786 1.00 82.63
|
| 501 |
+
ATOM 497 CE1 TYR A 64 11.887 0.349 8.255 1.00 82.63
|
| 502 |
+
ATOM 498 CE2 TYR A 64 12.145 0.148 5.836 1.00 82.63
|
| 503 |
+
ATOM 499 CZ TYR A 64 12.582 0.670 7.069 1.00 82.63
|
| 504 |
+
ATOM 500 OH TYR A 64 13.673 1.478 7.110 1.00 82.63
|
| 505 |
+
ATOM 501 N SER A 65 8.299 -5.540 6.976 1.00 81.12
|
| 506 |
+
ATOM 502 CA SER A 65 7.183 -6.501 7.001 1.00 81.12
|
| 507 |
+
ATOM 503 C SER A 65 6.650 -6.806 8.409 1.00 81.12
|
| 508 |
+
ATOM 504 O SER A 65 5.451 -7.040 8.570 1.00 81.12
|
| 509 |
+
ATOM 505 CB SER A 65 7.556 -7.810 6.304 1.00 81.12
|
| 510 |
+
ATOM 506 OG SER A 65 8.698 -8.376 6.902 1.00 81.12
|
| 511 |
+
ATOM 507 N ALA A 66 7.500 -6.734 9.437 1.00 83.68
|
| 512 |
+
ATOM 508 CA ALA A 66 7.113 -6.965 10.830 1.00 83.68
|
| 513 |
+
ATOM 509 C ALA A 66 6.133 -5.909 11.380 1.00 83.68
|
| 514 |
+
ATOM 510 O ALA A 66 5.347 -6.208 12.276 1.00 83.68
|
| 515 |
+
ATOM 511 CB ALA A 66 8.394 -7.027 11.670 1.00 83.68
|
| 516 |
+
ATOM 512 N MET A 67 6.134 -4.693 10.819 1.00 84.49
|
| 517 |
+
ATOM 513 CA MET A 67 5.262 -3.593 11.258 1.00 84.49
|
| 518 |
+
ATOM 514 C MET A 67 3.858 -3.667 10.643 1.00 84.49
|
| 519 |
+
ATOM 515 O MET A 67 2.941 -2.975 11.087 1.00 84.49
|
| 520 |
+
ATOM 516 CB MET A 67 5.926 -2.245 10.934 1.00 84.49
|
| 521 |
+
ATOM 517 CG MET A 67 7.277 -2.063 11.641 1.00 84.49
|
| 522 |
+
ATOM 518 SD MET A 67 7.225 -2.136 13.456 1.00 84.49
|
| 523 |
+
ATOM 519 CE MET A 67 6.420 -0.549 13.816 1.00 84.49
|
| 524 |
+
ATOM 520 N ARG A 68 3.660 -4.523 9.631 1.00 88.98
|
| 525 |
+
ATOM 521 CA ARG A 68 2.432 -4.538 8.825 1.00 88.98
|
| 526 |
+
ATOM 522 C ARG A 68 1.181 -4.858 9.626 1.00 88.98
|
| 527 |
+
ATOM 523 O ARG A 68 0.155 -4.199 9.476 1.00 88.98
|
| 528 |
+
ATOM 524 CB ARG A 68 2.585 -5.470 7.621 1.00 88.98
|
| 529 |
+
ATOM 525 CG ARG A 68 3.725 -5.075 6.671 1.00 88.98
|
| 530 |
+
ATOM 526 CD ARG A 68 3.661 -5.902 5.379 1.00 88.98
|
| 531 |
+
ATOM 527 NE ARG A 68 4.721 -5.532 4.417 1.00 88.98
|
| 532 |
+
ATOM 528 CZ ARG A 68 4.975 -6.144 3.271 1.00 88.98
|
| 533 |
+
ATOM 529 NH1 ARG A 68 4.262 -7.159 2.864 1.00 88.98
|
| 534 |
+
ATOM 530 NH2 ARG A 68 5.955 -5.736 2.511 1.00 88.98
|
| 535 |
+
ATOM 531 N ASP A 69 1.280 -5.820 10.534 1.00 92.21
|
| 536 |
+
ATOM 532 CA ASP A 69 0.139 -6.247 11.339 1.00 92.21
|
| 537 |
+
ATOM 533 C ASP A 69 -0.371 -5.124 12.264 1.00 92.21
|
| 538 |
+
ATOM 534 O ASP A 69 -1.566 -5.065 12.558 1.00 92.21
|
| 539 |
+
ATOM 535 CB ASP A 69 0.521 -7.508 12.133 1.00 92.21
|
| 540 |
+
ATOM 536 CG ASP A 69 0.584 -8.802 11.295 1.00 92.21
|
| 541 |
+
ATOM 537 OD1 ASP A 69 0.653 -8.756 10.043 1.00 92.21
|
| 542 |
+
ATOM 538 OD2 ASP A 69 0.515 -9.884 11.914 1.00 92.21
|
| 543 |
+
ATOM 539 N GLN A 70 0.496 -4.198 12.693 1.00 91.60
|
| 544 |
+
ATOM 540 CA GLN A 70 0.105 -3.079 13.554 1.00 91.60
|
| 545 |
+
ATOM 541 C GLN A 70 -0.815 -2.101 12.819 1.00 91.60
|
| 546 |
+
ATOM 542 O GLN A 70 -1.928 -1.842 13.287 1.00 91.60
|
| 547 |
+
ATOM 543 CB GLN A 70 1.360 -2.385 14.104 1.00 91.60
|
| 548 |
+
ATOM 544 CG GLN A 70 1.022 -1.176 14.993 1.00 91.60
|
| 549 |
+
ATOM 545 CD GLN A 70 2.264 -0.551 15.621 1.00 91.60
|
| 550 |
+
ATOM 546 OE1 GLN A 70 3.242 -1.210 15.920 1.00 91.60
|
| 551 |
+
ATOM 547 NE2 GLN A 70 2.261 0.737 15.883 1.00 91.60
|
| 552 |
+
ATOM 548 N TYR A 71 -0.389 -1.592 11.661 1.00 91.78
|
| 553 |
+
ATOM 549 CA TYR A 71 -1.203 -0.651 10.895 1.00 91.78
|
| 554 |
+
ATOM 550 C TYR A 71 -2.450 -1.310 10.296 1.00 91.78
|
| 555 |
+
ATOM 551 O TYR A 71 -3.515 -0.694 10.210 1.00 91.78
|
| 556 |
+
ATOM 552 CB TYR A 71 -0.346 0.040 9.836 1.00 91.78
|
| 557 |
+
ATOM 553 CG TYR A 71 0.333 -0.804 8.782 1.00 91.78
|
| 558 |
+
ATOM 554 CD1 TYR A 71 1.735 -0.771 8.649 1.00 91.78
|
| 559 |
+
ATOM 555 CD2 TYR A 71 -0.446 -1.472 7.820 1.00 91.78
|
| 560 |
+
ATOM 556 CE1 TYR A 71 2.346 -1.381 7.536 1.00 91.78
|
| 561 |
+
ATOM 557 CE2 TYR A 71 0.160 -2.148 6.756 1.00 91.78
|
| 562 |
+
ATOM 558 CZ TYR A 71 1.550 -2.078 6.595 1.00 91.78
|
| 563 |
+
ATOM 559 OH TYR A 71 2.095 -2.635 5.487 1.00 91.78
|
| 564 |
+
ATOM 560 N MET A 72 -2.369 -2.597 9.938 1.00 93.98
|
| 565 |
+
ATOM 561 CA MET A 72 -3.527 -3.337 9.438 1.00 93.98
|
| 566 |
+
ATOM 562 C MET A 72 -4.580 -3.511 10.526 1.00 93.98
|
| 567 |
+
ATOM 563 O MET A 72 -5.777 -3.476 10.248 1.00 93.98
|
| 568 |
+
ATOM 564 CB MET A 72 -3.104 -4.692 8.865 1.00 93.98
|
| 569 |
+
ATOM 565 CG MET A 72 -2.363 -4.547 7.540 1.00 93.98
|
| 570 |
+
ATOM 566 SD MET A 72 -1.835 -6.133 6.859 1.00 93.98
|
| 571 |
+
ATOM 567 CE MET A 72 -0.890 -5.566 5.422 1.00 93.98
|
| 572 |
+
ATOM 568 N ARG A 73 -4.178 -3.630 11.793 1.00 95.42
|
| 573 |
+
ATOM 569 CA ARG A 73 -5.131 -3.714 12.901 1.00 95.42
|
| 574 |
+
ATOM 570 C ARG A 73 -5.888 -2.407 13.112 1.00 95.42
|
| 575 |
+
ATOM 571 O ARG A 73 -7.089 -2.463 13.365 1.00 95.42
|
| 576 |
+
ATOM 572 CB ARG A 73 -4.387 -4.157 14.159 1.00 95.42
|
| 577 |
+
ATOM 573 CG ARG A 73 -5.364 -4.579 15.267 1.00 95.42
|
| 578 |
+
ATOM 574 CD ARG A 73 -4.607 -5.080 16.500 1.00 95.42
|
| 579 |
+
ATOM 575 NE ARG A 73 -3.760 -6.245 16.175 1.00 95.42
|
| 580 |
+
ATOM 576 CZ ARG A 73 -2.520 -6.467 16.572 1.00 95.42
|
| 581 |
+
ATOM 577 NH1 ARG A 73 -1.917 -5.702 17.441 1.00 95.42
|
| 582 |
+
ATOM 578 NH2 ARG A 73 -1.851 -7.477 16.094 1.00 95.42
|
| 583 |
+
ATOM 579 N THR A 74 -5.243 -1.254 12.956 1.00 93.41
|
| 584 |
+
ATOM 580 CA THR A 74 -5.856 0.059 13.226 1.00 93.41
|
| 585 |
+
ATOM 581 C THR A 74 -6.617 0.657 12.038 1.00 93.41
|
| 586 |
+
ATOM 582 O THR A 74 -7.576 1.391 12.268 1.00 93.41
|
| 587 |
+
ATOM 583 CB THR A 74 -4.803 1.059 13.721 1.00 93.41
|
| 588 |
+
ATOM 584 OG1 THR A 74 -3.780 1.165 12.768 1.00 93.41
|
| 589 |
+
ATOM 585 CG2 THR A 74 -4.166 0.617 15.040 1.00 93.41
|
| 590 |
+
ATOM 586 N GLY A 75 -6.251 0.327 10.794 1.00 96.96
|
| 591 |
+
ATOM 587 CA GLY A 75 -6.881 0.870 9.581 1.00 96.96
|
| 592 |
+
ATOM 588 C GLY A 75 -8.327 0.423 9.365 1.00 96.96
|
| 593 |
+
ATOM 589 O GLY A 75 -8.639 -0.753 9.485 1.00 96.96
|
| 594 |
+
ATOM 590 N GLU A 76 -9.236 1.323 9.023 1.00 97.87
|
| 595 |
+
ATOM 591 CA GLU A 76 -10.641 0.991 8.744 1.00 97.87
|
| 596 |
+
ATOM 592 C GLU A 76 -10.886 0.599 7.288 1.00 97.87
|
| 597 |
+
ATOM 593 O GLU A 76 -11.812 -0.160 7.004 1.00 97.87
|
| 598 |
+
ATOM 594 CB GLU A 76 -11.523 2.176 9.114 1.00 97.87
|
| 599 |
+
ATOM 595 CG GLU A 76 -11.469 2.418 10.621 1.00 97.87
|
| 600 |
+
ATOM 596 CD GLU A 76 -12.432 3.534 10.960 1.00 97.87
|
| 601 |
+
ATOM 597 OE1 GLU A 76 -13.547 3.184 11.407 1.00 97.87
|
| 602 |
+
ATOM 598 OE2 GLU A 76 -12.112 4.714 10.691 1.00 97.87
|
| 603 |
+
ATOM 599 N GLY A 77 -10.037 1.082 6.383 1.00 98.57
|
| 604 |
+
ATOM 600 CA GLY A 77 -10.023 0.677 4.988 1.00 98.57
|
| 605 |
+
ATOM 601 C GLY A 77 -8.641 0.820 4.364 1.00 98.57
|
| 606 |
+
ATOM 602 O GLY A 77 -7.794 1.567 4.862 1.00 98.57
|
| 607 |
+
ATOM 603 N PHE A 78 -8.424 0.098 3.266 1.00 98.74
|
| 608 |
+
ATOM 604 CA PHE A 78 -7.111 -0.060 2.648 1.00 98.74
|
| 609 |
+
ATOM 605 C PHE A 78 -7.119 0.323 1.168 1.00 98.74
|
| 610 |
+
ATOM 606 O PHE A 78 -7.917 -0.195 0.386 1.00 98.74
|
| 611 |
+
ATOM 607 CB PHE A 78 -6.623 -1.500 2.856 1.00 98.74
|
| 612 |
+
ATOM 608 CG PHE A 78 -6.536 -1.881 4.319 1.00 98.74
|
| 613 |
+
ATOM 609 CD1 PHE A 78 -5.325 -1.707 5.005 1.00 98.74
|
| 614 |
+
ATOM 610 CD2 PHE A 78 -7.683 -2.307 5.018 1.00 98.74
|
| 615 |
+
ATOM 611 CE1 PHE A 78 -5.268 -1.909 6.391 1.00 98.74
|
| 616 |
+
ATOM 612 CE2 PHE A 78 -7.628 -2.513 6.406 1.00 98.74
|
| 617 |
+
ATOM 613 CZ PHE A 78 -6.420 -2.303 7.093 1.00 98.74
|
| 618 |
+
ATOM 614 N LEU A 79 -6.197 1.194 0.762 1.00 98.77
|
| 619 |
+
ATOM 615 CA LEU A 79 -5.832 1.320 -0.648 1.00 98.77
|
| 620 |
+
ATOM 616 C LEU A 79 -4.733 0.307 -0.949 1.00 98.77
|
| 621 |
+
ATOM 617 O LEU A 79 -3.637 0.406 -0.403 1.00 98.77
|
| 622 |
+
ATOM 618 CB LEU A 79 -5.377 2.752 -0.995 1.00 98.77
|
| 623 |
+
ATOM 619 CG LEU A 79 -6.495 3.804 -1.037 1.00 98.77
|
| 624 |
+
ATOM 620 CD1 LEU A 79 -5.898 5.185 -1.289 1.00 98.77
|
| 625 |
+
ATOM 621 CD2 LEU A 79 -7.529 3.559 -2.139 1.00 98.77
|
| 626 |
+
ATOM 622 N CYS A 80 -5.022 -0.645 -1.831 1.00 98.63
|
| 627 |
+
ATOM 623 CA CYS A 80 -4.062 -1.636 -2.302 1.00 98.63
|
| 628 |
+
ATOM 624 C CYS A 80 -3.468 -1.146 -3.625 1.00 98.63
|
| 629 |
+
ATOM 625 O CYS A 80 -4.107 -1.247 -4.672 1.00 98.63
|
| 630 |
+
ATOM 626 CB CYS A 80 -4.768 -2.994 -2.422 1.00 98.63
|
| 631 |
+
ATOM 627 SG CYS A 80 -5.290 -3.567 -0.778 1.00 98.63
|
| 632 |
+
ATOM 628 N VAL A 81 -2.271 -0.565 -3.570 1.00 98.82
|
| 633 |
+
ATOM 629 CA VAL A 81 -1.656 0.154 -4.690 1.00 98.82
|
| 634 |
+
ATOM 630 C VAL A 81 -0.615 -0.714 -5.392 1.00 98.82
|
| 635 |
+
ATOM 631 O VAL A 81 0.325 -1.205 -4.769 1.00 98.82
|
| 636 |
+
ATOM 632 CB VAL A 81 -1.031 1.489 -4.233 1.00 98.82
|
| 637 |
+
ATOM 633 CG1 VAL A 81 -0.648 2.356 -5.441 1.00 98.82
|
| 638 |
+
ATOM 634 CG2 VAL A 81 -1.973 2.319 -3.348 1.00 98.82
|
| 639 |
+
ATOM 635 N PHE A 82 -0.733 -0.830 -6.711 1.00 98.81
|
| 640 |
+
ATOM 636 CA PHE A 82 0.322 -1.326 -7.595 1.00 98.81
|
| 641 |
+
ATOM 637 C PHE A 82 0.647 -0.267 -8.653 1.00 98.81
|
| 642 |
+
ATOM 638 O PHE A 82 -0.097 0.700 -8.820 1.00 98.81
|
| 643 |
+
ATOM 639 CB PHE A 82 -0.083 -2.669 -8.215 1.00 98.81
|
| 644 |
+
ATOM 640 CG PHE A 82 -1.148 -2.586 -9.287 1.00 98.81
|
| 645 |
+
ATOM 641 CD1 PHE A 82 -2.508 -2.512 -8.937 1.00 98.81
|
| 646 |
+
ATOM 642 CD2 PHE A 82 -0.773 -2.593 -10.644 1.00 98.81
|
| 647 |
+
ATOM 643 CE1 PHE A 82 -3.488 -2.440 -9.943 1.00 98.81
|
| 648 |
+
ATOM 644 CE2 PHE A 82 -1.752 -2.511 -11.647 1.00 98.81
|
| 649 |
+
ATOM 645 CZ PHE A 82 -3.109 -2.431 -11.297 1.00 98.81
|
| 650 |
+
ATOM 646 N ALA A 83 1.755 -0.426 -9.374 1.00 98.65
|
| 651 |
+
ATOM 647 CA ALA A 83 2.057 0.418 -10.527 1.00 98.65
|
| 652 |
+
ATOM 648 C ALA A 83 1.782 -0.340 -11.829 1.00 98.65
|
| 653 |
+
ATOM 649 O ALA A 83 2.238 -1.470 -11.999 1.00 98.65
|
| 654 |
+
ATOM 650 CB ALA A 83 3.491 0.934 -10.422 1.00 98.65
|
| 655 |
+
ATOM 651 N ILE A 84 1.079 0.287 -12.775 1.00 98.65
|
| 656 |
+
ATOM 652 CA ILE A 84 0.684 -0.352 -14.045 1.00 98.65
|
| 657 |
+
ATOM 653 C ILE A 84 1.869 -0.761 -14.935 1.00 98.65
|
| 658 |
+
ATOM 654 O ILE A 84 1.697 -1.553 -15.858 1.00 98.65
|
| 659 |
+
ATOM 655 CB ILE A 84 -0.270 0.554 -14.847 1.00 98.65
|
| 660 |
+
ATOM 656 CG1 ILE A 84 0.369 1.917 -15.206 1.00 98.65
|
| 661 |
+
ATOM 657 CG2 ILE A 84 -1.603 0.757 -14.108 1.00 98.65
|
| 662 |
+
ATOM 658 CD1 ILE A 84 0.188 2.257 -16.686 1.00 98.65
|
| 663 |
+
ATOM 659 N ASN A 85 3.060 -0.223 -14.669 1.00 98.51
|
| 664 |
+
ATOM 660 CA ASN A 85 4.319 -0.550 -15.336 1.00 98.51
|
| 665 |
+
ATOM 661 C ASN A 85 5.195 -1.534 -14.532 1.00 98.51
|
| 666 |
+
ATOM 662 O ASN A 85 6.377 -1.690 -14.832 1.00 98.51
|
| 667 |
+
ATOM 663 CB ASN A 85 5.055 0.756 -15.673 1.00 98.51
|
| 668 |
+
ATOM 664 CG ASN A 85 5.649 1.461 -14.469 1.00 98.51
|
| 669 |
+
ATOM 665 OD1 ASN A 85 5.117 1.477 -13.369 1.00 98.51
|
| 670 |
+
ATOM 666 ND2 ASN A 85 6.784 2.091 -14.651 1.00 98.51
|
| 671 |
+
ATOM 667 N ASN A 86 4.651 -2.177 -13.494 1.00 98.14
|
| 672 |
+
ATOM 668 CA ASN A 86 5.362 -3.137 -12.653 1.00 98.14
|
| 673 |
+
ATOM 669 C ASN A 86 4.473 -4.354 -12.331 1.00 98.14
|
| 674 |
+
ATOM 670 O ASN A 86 3.709 -4.345 -11.363 1.00 98.14
|
| 675 |
+
ATOM 671 CB ASN A 86 5.869 -2.394 -11.401 1.00 98.14
|
| 676 |
+
ATOM 672 CG ASN A 86 6.671 -3.275 -10.458 1.00 98.14
|
| 677 |
+
ATOM 673 OD1 ASN A 86 6.664 -4.492 -10.523 1.00 98.14
|
| 678 |
+
ATOM 674 ND2 ASN A 86 7.384 -2.692 -9.523 1.00 98.14
|
| 679 |
+
ATOM 675 N THR A 87 4.624 -5.424 -13.117 1.00 98.32
|
| 680 |
+
ATOM 676 CA THR A 87 3.870 -6.681 -12.974 1.00 98.32
|
| 681 |
+
ATOM 677 C THR A 87 4.050 -7.327 -11.600 1.00 98.32
|
| 682 |
+
ATOM 678 O THR A 87 3.062 -7.724 -10.990 1.00 98.32
|
| 683 |
+
ATOM 679 CB THR A 87 4.293 -7.676 -14.066 1.00 98.32
|
| 684 |
+
ATOM 680 OG1 THR A 87 4.259 -7.034 -15.322 1.00 98.32
|
| 685 |
+
ATOM 681 CG2 THR A 87 3.391 -8.902 -14.148 1.00 98.32
|
| 686 |
+
ATOM 682 N LYS A 88 5.271 -7.338 -11.046 1.00 97.99
|
| 687 |
+
ATOM 683 CA LYS A 88 5.533 -7.899 -9.710 1.00 97.99
|
| 688 |
+
ATOM 684 C LYS A 88 4.723 -7.185 -8.627 1.00 97.99
|
| 689 |
+
ATOM 685 O LYS A 88 4.138 -7.828 -7.763 1.00 97.99
|
| 690 |
+
ATOM 686 CB LYS A 88 7.042 -7.840 -9.420 1.00 97.99
|
| 691 |
+
ATOM 687 CG LYS A 88 7.445 -8.402 -8.047 1.00 97.99
|
| 692 |
+
ATOM 688 CD LYS A 88 7.047 -9.875 -7.858 1.00 97.99
|
| 693 |
+
ATOM 689 CE LYS A 88 7.706 -10.474 -6.610 1.00 97.99
|
| 694 |
+
ATOM 690 NZ LYS A 88 7.119 -9.949 -5.356 1.00 97.99
|
| 695 |
+
ATOM 691 N SER A 89 4.617 -5.855 -8.711 1.00 98.21
|
| 696 |
+
ATOM 692 CA SER A 89 3.811 -5.084 -7.754 1.00 98.21
|
| 697 |
+
ATOM 693 C SER A 89 2.316 -5.408 -7.819 1.00 98.21
|
| 698 |
+
ATOM 694 O SER A 89 1.624 -5.269 -6.814 1.00 98.21
|
| 699 |
+
ATOM 695 CB SER A 89 4.036 -3.579 -7.921 1.00 98.21
|
| 700 |
+
ATOM 696 OG SER A 89 3.385 -3.013 -9.049 1.00 98.21
|
| 701 |
+
ATOM 697 N PHE A 90 1.820 -5.841 -8.983 1.00 98.66
|
| 702 |
+
ATOM 698 CA PHE A 90 0.443 -6.296 -9.164 1.00 98.66
|
| 703 |
+
ATOM 699 C PHE A 90 0.225 -7.700 -8.589 1.00 98.66
|
| 704 |
+
ATOM 700 O PHE A 90 -0.770 -7.927 -7.905 1.00 98.66
|
| 705 |
+
ATOM 701 CB PHE A 90 0.094 -6.226 -10.654 1.00 98.66
|
| 706 |
+
ATOM 702 CG PHE A 90 -1.283 -6.746 -10.997 1.00 98.66
|
| 707 |
+
ATOM 703 CD1 PHE A 90 -1.435 -7.971 -11.675 1.00 98.66
|
| 708 |
+
ATOM 704 CD2 PHE A 90 -2.416 -6.001 -10.634 1.00 98.66
|
| 709 |
+
ATOM 705 CE1 PHE A 90 -2.721 -8.435 -12.005 1.00 98.66
|
| 710 |
+
ATOM 706 CE2 PHE A 90 -3.699 -6.463 -10.965 1.00 98.66
|
| 711 |
+
ATOM 707 CZ PHE A 90 -3.852 -7.677 -11.659 1.00 98.66
|
| 712 |
+
ATOM 708 N GLU A 91 1.173 -8.615 -8.794 1.00 97.96
|
| 713 |
+
ATOM 709 CA GLU A 91 1.157 -9.957 -8.190 1.00 97.96
|
| 714 |
+
ATOM 710 C GLU A 91 1.155 -9.880 -6.651 1.00 97.96
|
| 715 |
+
ATOM 711 O GLU A 91 0.383 -10.574 -5.984 1.00 97.96
|
| 716 |
+
ATOM 712 CB GLU A 91 2.375 -10.748 -8.694 1.00 97.96
|
| 717 |
+
ATOM 713 CG GLU A 91 2.301 -11.054 -10.202 1.00 97.96
|
| 718 |
+
ATOM 714 CD GLU A 91 3.626 -11.560 -10.798 1.00 97.96
|
| 719 |
+
ATOM 715 OE1 GLU A 91 3.601 -11.920 -11.997 1.00 97.96
|
| 720 |
+
ATOM 716 OE2 GLU A 91 4.662 -11.542 -10.091 1.00 97.96
|
| 721 |
+
ATOM 717 N ASP A 92 1.934 -8.953 -6.085 1.00 97.35
|
| 722 |
+
ATOM 718 CA ASP A 92 2.061 -8.765 -4.636 1.00 97.35
|
| 723 |
+
ATOM 719 C ASP A 92 0.771 -8.312 -3.941 1.00 97.35
|
| 724 |
+
ATOM 720 O ASP A 92 0.622 -8.507 -2.731 1.00 97.35
|
| 725 |
+
ATOM 721 CB ASP A 92 3.207 -7.780 -4.342 1.00 97.35
|
| 726 |
+
ATOM 722 CG ASP A 92 4.579 -8.407 -4.588 1.00 97.35
|
| 727 |
+
ATOM 723 OD1 ASP A 92 4.679 -9.651 -4.519 1.00 97.35
|
| 728 |
+
ATOM 724 OD2 ASP A 92 5.571 -7.673 -4.810 1.00 97.35
|
| 729 |
+
ATOM 725 N ILE A 93 -0.201 -7.760 -4.679 1.00 98.27
|
| 730 |
+
ATOM 726 CA ILE A 93 -1.503 -7.347 -4.129 1.00 98.27
|
| 731 |
+
ATOM 727 C ILE A 93 -2.202 -8.503 -3.414 1.00 98.27
|
| 732 |
+
ATOM 728 O ILE A 93 -2.850 -8.282 -2.387 1.00 98.27
|
| 733 |
+
ATOM 729 CB ILE A 93 -2.401 -6.783 -5.252 1.00 98.27
|
| 734 |
+
ATOM 730 CG1 ILE A 93 -1.831 -5.475 -5.846 1.00 98.27
|
| 735 |
+
ATOM 731 CG2 ILE A 93 -3.857 -6.572 -4.800 1.00 98.27
|
| 736 |
+
ATOM 732 CD1 ILE A 93 -1.663 -4.314 -4.853 1.00 98.27
|
| 737 |
+
ATOM 733 N HIS A 94 -2.057 -9.732 -3.917 1.00 97.53
|
| 738 |
+
ATOM 734 CA HIS A 94 -2.633 -10.906 -3.267 1.00 97.53
|
| 739 |
+
ATOM 735 C HIS A 94 -2.098 -11.079 -1.838 1.00 97.53
|
| 740 |
+
ATOM 736 O HIS A 94 -2.877 -11.250 -0.901 1.00 97.53
|
| 741 |
+
ATOM 737 CB HIS A 94 -2.359 -12.142 -4.129 1.00 97.53
|
| 742 |
+
ATOM 738 CG HIS A 94 -3.004 -13.373 -3.554 1.00 97.53
|
| 743 |
+
ATOM 739 ND1 HIS A 94 -4.356 -13.603 -3.457 1.00 97.53
|
| 744 |
+
ATOM 740 CD2 HIS A 94 -2.368 -14.426 -2.955 1.00 97.53
|
| 745 |
+
ATOM 741 CE1 HIS A 94 -4.533 -14.763 -2.803 1.00 97.53
|
| 746 |
+
ATOM 742 NE2 HIS A 94 -3.347 -15.307 -2.485 1.00 97.53
|
| 747 |
+
ATOM 743 N HIS A 95 -0.784 -10.937 -1.644 1.00 95.62
|
| 748 |
+
ATOM 744 CA HIS A 95 -0.157 -11.056 -0.328 1.00 95.62
|
| 749 |
+
ATOM 745 C HIS A 95 -0.625 -9.966 0.642 1.00 95.62
|
| 750 |
+
ATOM 746 O HIS A 95 -0.958 -10.276 1.787 1.00 95.62
|
| 751 |
+
ATOM 747 CB HIS A 95 1.369 -11.039 -0.484 1.00 95.62
|
| 752 |
+
ATOM 748 CG HIS A 95 1.892 -12.208 -1.275 1.00 95.62
|
| 753 |
+
ATOM 749 ND1 HIS A 95 1.597 -13.533 -1.039 1.00 95.62
|
| 754 |
+
ATOM 750 CD2 HIS A 95 2.747 -12.167 -2.345 1.00 95.62
|
| 755 |
+
ATOM 751 CE1 HIS A 95 2.258 -14.273 -1.943 1.00 95.62
|
| 756 |
+
ATOM 752 NE2 HIS A 95 2.970 -13.485 -2.757 1.00 95.62
|
| 757 |
+
ATOM 753 N TYR A 96 -0.715 -8.710 0.187 1.00 96.58
|
| 758 |
+
ATOM 754 CA TYR A 96 -1.244 -7.619 1.015 1.00 96.58
|
| 759 |
+
ATOM 755 C TYR A 96 -2.695 -7.875 1.428 1.00 96.58
|
| 760 |
+
ATOM 756 O TYR A 96 -3.032 -7.725 2.603 1.00 96.58
|
| 761 |
+
ATOM 757 CB TYR A 96 -1.133 -6.274 0.285 1.00 96.58
|
| 762 |
+
ATOM 758 CG TYR A 96 0.280 -5.730 0.226 1.00 96.58
|
| 763 |
+
ATOM 759 CD1 TYR A 96 0.850 -5.133 1.367 1.00 96.58
|
| 764 |
+
ATOM 760 CD2 TYR A 96 1.028 -5.830 -0.961 1.00 96.58
|
| 765 |
+
ATOM 761 CE1 TYR A 96 2.171 -4.645 1.326 1.00 96.58
|
| 766 |
+
ATOM 762 CE2 TYR A 96 2.357 -5.374 -0.999 1.00 96.58
|
| 767 |
+
ATOM 763 CZ TYR A 96 2.931 -4.782 0.143 1.00 96.58
|
| 768 |
+
ATOM 764 OH TYR A 96 4.210 -4.336 0.086 1.00 96.58
|
| 769 |
+
ATOM 765 N ARG A 97 -3.548 -8.305 0.490 1.00 97.25
|
| 770 |
+
ATOM 766 CA ARG A 97 -4.957 -8.599 0.771 1.00 97.25
|
| 771 |
+
ATOM 767 C ARG A 97 -5.111 -9.706 1.808 1.00 97.25
|
| 772 |
+
ATOM 768 O ARG A 97 -5.835 -9.516 2.785 1.00 97.25
|
| 773 |
+
ATOM 769 CB ARG A 97 -5.677 -8.955 -0.535 1.00 97.25
|
| 774 |
+
ATOM 770 CG ARG A 97 -7.158 -9.252 -0.270 1.00 97.25
|
| 775 |
+
ATOM 771 CD ARG A 97 -7.870 -9.623 -1.564 1.00 97.25
|
| 776 |
+
ATOM 772 NE ARG A 97 -9.304 -9.849 -1.326 1.00 97.25
|
| 777 |
+
ATOM 773 CZ ARG A 97 -9.878 -10.982 -0.963 1.00 97.25
|
| 778 |
+
ATOM 774 NH1 ARG A 97 -9.222 -12.078 -0.685 1.00 97.25
|
| 779 |
+
ATOM 775 NH2 ARG A 97 -11.179 -11.023 -0.852 1.00 97.25
|
| 780 |
+
ATOM 776 N GLU A 98 -4.446 -10.844 1.617 1.00 96.72
|
| 781 |
+
ATOM 777 CA GLU A 98 -4.565 -11.969 2.552 1.00 96.72
|
| 782 |
+
ATOM 778 C GLU A 98 -4.017 -11.616 3.939 1.00 96.72
|
| 783 |
+
ATOM 779 O GLU A 98 -4.607 -11.998 4.952 1.00 96.72
|
| 784 |
+
ATOM 780 CB GLU A 98 -3.884 -13.228 1.988 1.00 96.72
|
| 785 |
+
ATOM 781 CG GLU A 98 -4.586 -13.808 0.746 1.00 96.72
|
| 786 |
+
ATOM 782 CD GLU A 98 -6.113 -13.928 0.913 1.00 96.72
|
| 787 |
+
ATOM 783 OE1 GLU A 98 -6.858 -13.307 0.112 1.00 96.72
|
| 788 |
+
ATOM 784 OE2 GLU A 98 -6.582 -14.543 1.898 1.00 96.72
|
| 789 |
+
ATOM 785 N GLN A 99 -2.953 -10.809 4.011 1.00 95.53
|
| 790 |
+
ATOM 786 CA GLN A 99 -2.453 -10.302 5.286 1.00 95.53
|
| 791 |
+
ATOM 787 C GLN A 99 -3.482 -9.403 5.987 1.00 95.53
|
| 792 |
+
ATOM 788 O GLN A 99 -3.751 -9.607 7.172 1.00 95.53
|
| 793 |
+
ATOM 789 CB GLN A 99 -1.117 -9.577 5.075 1.00 95.53
|
| 794 |
+
ATOM 790 CG GLN A 99 -0.428 -9.348 6.426 1.00 95.53
|
| 795 |
+
ATOM 791 CD GLN A 99 0.956 -8.717 6.332 1.00 95.53
|
| 796 |
+
ATOM 792 OE1 GLN A 99 1.425 -8.255 5.298 1.00 95.53
|
| 797 |
+
ATOM 793 NE2 GLN A 99 1.684 -8.719 7.426 1.00 95.53
|
| 798 |
+
ATOM 794 N ILE A 100 -4.105 -8.462 5.267 1.00 97.40
|
| 799 |
+
ATOM 795 CA ILE A 100 -5.142 -7.588 5.832 1.00 97.40
|
| 800 |
+
ATOM 796 C ILE A 100 -6.304 -8.422 6.373 1.00 97.40
|
| 801 |
+
ATOM 797 O ILE A 100 -6.712 -8.228 7.517 1.00 97.40
|
| 802 |
+
ATOM 798 CB ILE A 100 -5.649 -6.565 4.792 1.00 97.40
|
| 803 |
+
ATOM 799 CG1 ILE A 100 -4.573 -5.522 4.435 1.00 97.40
|
| 804 |
+
ATOM 800 CG2 ILE A 100 -6.877 -5.825 5.355 1.00 97.40
|
| 805 |
+
ATOM 801 CD1 ILE A 100 -4.849 -4.819 3.100 1.00 97.40
|
| 806 |
+
ATOM 802 N LYS A 101 -6.816 -9.368 5.581 1.00 97.20
|
| 807 |
+
ATOM 803 CA LYS A 101 -7.930 -10.237 5.985 1.00 97.20
|
| 808 |
+
ATOM 804 C LYS A 101 -7.614 -11.022 7.249 1.00 97.20
|
| 809 |
+
ATOM 805 O LYS A 101 -8.419 -11.031 8.176 1.00 97.20
|
| 810 |
+
ATOM 806 CB LYS A 101 -8.255 -11.210 4.856 1.00 97.20
|
| 811 |
+
ATOM 807 CG LYS A 101 -8.946 -10.493 3.690 1.00 97.20
|
| 812 |
+
ATOM 808 CD LYS A 101 -9.178 -11.458 2.532 1.00 97.20
|
| 813 |
+
ATOM 809 CE LYS A 101 -10.189 -12.522 2.942 1.00 97.20
|
| 814 |
+
ATOM 810 NZ LYS A 101 -9.795 -13.898 2.568 1.00 97.20
|
| 815 |
+
ATOM 811 N ARG A 102 -6.416 -11.611 7.314 1.00 96.77
|
| 816 |
+
ATOM 812 CA ARG A 102 -5.931 -12.340 8.491 1.00 96.77
|
| 817 |
+
ATOM 813 C ARG A 102 -5.868 -11.445 9.727 1.00 96.77
|
| 818 |
+
ATOM 814 O ARG A 102 -6.336 -11.841 10.785 1.00 96.77
|
| 819 |
+
ATOM 815 CB ARG A 102 -4.558 -12.938 8.160 1.00 96.77
|
| 820 |
+
ATOM 816 CG ARG A 102 -4.011 -13.806 9.303 1.00 96.77
|
| 821 |
+
ATOM 817 CD ARG A 102 -2.584 -14.267 8.998 1.00 96.77
|
| 822 |
+
ATOM 818 NE ARG A 102 -1.612 -13.154 9.095 1.00 96.77
|
| 823 |
+
ATOM 819 CZ ARG A 102 -0.470 -13.029 8.444 1.00 96.77
|
| 824 |
+
ATOM 820 NH1 ARG A 102 -0.100 -13.890 7.532 1.00 96.77
|
| 825 |
+
ATOM 821 NH2 ARG A 102 0.334 -12.036 8.710 1.00 96.77
|
| 826 |
+
ATOM 822 N VAL A 103 -5.302 -10.243 9.607 1.00 96.34
|
| 827 |
+
ATOM 823 CA VAL A 103 -5.162 -9.309 10.740 1.00 96.34
|
| 828 |
+
ATOM 824 C VAL A 103 -6.516 -8.756 11.192 1.00 96.34
|
| 829 |
+
ATOM 825 O VAL A 103 -6.709 -8.498 12.381 1.00 96.34
|
| 830 |
+
ATOM 826 CB VAL A 103 -4.194 -8.168 10.376 1.00 96.34
|
| 831 |
+
ATOM 827 CG1 VAL A 103 -4.134 -7.092 11.468 1.00 96.34
|
| 832 |
+
ATOM 828 CG2 VAL A 103 -2.770 -8.704 10.190 1.00 96.34
|
| 833 |
+
ATOM 829 N LYS A 104 -7.452 -8.568 10.257 1.00 96.21
|
| 834 |
+
ATOM 830 CA LYS A 104 -8.818 -8.108 10.532 1.00 96.21
|
| 835 |
+
ATOM 831 C LYS A 104 -9.772 -9.200 10.989 1.00 96.21
|
| 836 |
+
ATOM 832 O LYS A 104 -10.861 -8.848 11.437 1.00 96.21
|
| 837 |
+
ATOM 833 CB LYS A 104 -9.389 -7.419 9.280 1.00 96.21
|
| 838 |
+
ATOM 834 CG LYS A 104 -8.757 -6.057 8.974 1.00 96.21
|
| 839 |
+
ATOM 835 CD LYS A 104 -8.808 -5.157 10.207 1.00 96.21
|
| 840 |
+
ATOM 836 CE LYS A 104 -8.659 -3.708 9.799 1.00 96.21
|
| 841 |
+
ATOM 837 NZ LYS A 104 -8.415 -2.884 10.994 1.00 96.21
|
| 842 |
+
ATOM 838 N ASP A 105 -9.385 -10.464 10.842 1.00 96.11
|
| 843 |
+
ATOM 839 CA ASP A 105 -10.254 -11.624 11.039 1.00 96.11
|
| 844 |
+
ATOM 840 C ASP A 105 -11.597 -11.455 10.298 1.00 96.11
|
| 845 |
+
ATOM 841 O ASP A 105 -12.690 -11.574 10.854 1.00 96.11
|
| 846 |
+
ATOM 842 CB ASP A 105 -10.362 -11.928 12.540 1.00 96.11
|
| 847 |
+
ATOM 843 CG ASP A 105 -10.966 -13.304 12.821 1.00 96.11
|
| 848 |
+
ATOM 844 OD1 ASP A 105 -10.741 -14.220 11.997 1.00 96.11
|
| 849 |
+
ATOM 845 OD2 ASP A 105 -11.594 -13.442 13.896 1.00 96.11
|
| 850 |
+
ATOM 846 N SER A 106 -11.524 -11.025 9.031 1.00 94.75
|
| 851 |
+
ATOM 847 CA SER A 106 -12.708 -10.684 8.240 1.00 94.75
|
| 852 |
+
ATOM 848 C SER A 106 -12.468 -10.829 6.739 1.00 94.75
|
| 853 |
+
ATOM 849 O SER A 106 -11.444 -10.399 6.213 1.00 94.75
|
| 854 |
+
ATOM 850 CB SER A 106 -13.152 -9.250 8.562 1.00 94.75
|
| 855 |
+
ATOM 851 OG SER A 106 -14.472 -9.010 8.097 1.00 94.75
|
| 856 |
+
ATOM 852 N GLU A 107 -13.457 -11.386 6.040 1.00 93.66
|
| 857 |
+
ATOM 853 CA GLU A 107 -13.479 -11.467 4.575 1.00 93.66
|
| 858 |
+
ATOM 854 C GLU A 107 -13.954 -10.158 3.916 1.00 93.66
|
| 859 |
+
ATOM 855 O GLU A 107 -13.533 -9.840 2.808 1.00 93.66
|
| 860 |
+
ATOM 856 CB GLU A 107 -14.384 -12.639 4.152 1.00 93.66
|
| 861 |
+
ATOM 857 CG GLU A 107 -13.859 -14.021 4.584 1.00 93.66
|
| 862 |
+
ATOM 858 CD GLU A 107 -12.530 -14.365 3.906 1.00 93.66
|
| 863 |
+
ATOM 859 OE1 GLU A 107 -11.523 -14.620 4.603 1.00 93.66
|
| 864 |
+
ATOM 860 OE2 GLU A 107 -12.456 -14.290 2.657 1.00 93.66
|
| 865 |
+
ATOM 861 N ASP A 108 -14.777 -9.374 4.621 1.00 93.30
|
| 866 |
+
ATOM 862 CA ASP A 108 -15.489 -8.195 4.100 1.00 93.30
|
| 867 |
+
ATOM 863 C ASP A 108 -14.765 -6.872 4.434 1.00 93.30
|
| 868 |
+
ATOM 864 O ASP A 108 -15.400 -5.872 4.771 1.00 93.30
|
| 869 |
+
ATOM 865 CB ASP A 108 -16.944 -8.182 4.623 1.00 93.30
|
| 870 |
+
ATOM 866 CG ASP A 108 -17.878 -9.270 4.083 1.00 93.30
|
| 871 |
+
ATOM 867 OD1 ASP A 108 -17.652 -9.754 2.956 1.00 93.30
|
| 872 |
+
ATOM 868 OD2 ASP A 108 -18.886 -9.540 4.789 1.00 93.30
|
| 873 |
+
ATOM 869 N VAL A 109 -13.431 -6.844 4.427 1.00 97.70
|
| 874 |
+
ATOM 870 CA VAL A 109 -12.674 -5.631 4.792 1.00 97.70
|
| 875 |
+
ATOM 871 C VAL A 109 -12.792 -4.569 3.684 1.00 97.70
|
| 876 |
+
ATOM 872 O VAL A 109 -12.532 -4.901 2.528 1.00 97.70
|
| 877 |
+
ATOM 873 CB VAL A 109 -11.197 -5.936 5.084 1.00 97.70
|
| 878 |
+
ATOM 874 CG1 VAL A 109 -10.464 -4.682 5.580 1.00 97.70
|
| 879 |
+
ATOM 875 CG2 VAL A 109 -11.044 -7.013 6.159 1.00 97.70
|
| 880 |
+
ATOM 876 N PRO A 110 -13.112 -3.294 3.995 1.00 98.58
|
| 881 |
+
ATOM 877 CA PRO A 110 -13.135 -2.219 3.001 1.00 98.58
|
| 882 |
+
ATOM 878 C PRO A 110 -11.780 -2.042 2.311 1.00 98.58
|
| 883 |
+
ATOM 879 O PRO A 110 -10.780 -1.716 2.957 1.00 98.58
|
| 884 |
+
ATOM 880 CB PRO A 110 -13.540 -0.949 3.760 1.00 98.58
|
| 885 |
+
ATOM 881 CG PRO A 110 -14.333 -1.498 4.937 1.00 98.58
|
| 886 |
+
ATOM 882 CD PRO A 110 -13.606 -2.796 5.271 1.00 98.58
|
| 887 |
+
ATOM 883 N MET A 111 -11.743 -2.226 0.993 1.00 98.78
|
| 888 |
+
ATOM 884 CA MET A 111 -10.540 -2.010 0.192 1.00 98.78
|
| 889 |
+
ATOM 885 C MET A 111 -10.876 -1.392 -1.160 1.00 98.78
|
| 890 |
+
ATOM 886 O MET A 111 -11.985 -1.543 -1.665 1.00 98.78
|
| 891 |
+
ATOM 887 CB MET A 111 -9.747 -3.308 -0.038 1.00 98.78
|
| 892 |
+
ATOM 888 CG MET A 111 -9.420 -4.114 1.218 1.00 98.78
|
| 893 |
+
ATOM 889 SD MET A 111 -8.300 -5.504 0.906 1.00 98.78
|
| 894 |
+
ATOM 890 CE MET A 111 -8.550 -6.412 2.445 1.00 98.78
|
| 895 |
+
ATOM 891 N VAL A 112 -9.888 -0.748 -1.775 1.00 98.88
|
| 896 |
+
ATOM 892 CA VAL A 112 -9.925 -0.322 -3.179 1.00 98.88
|
| 897 |
+
ATOM 893 C VAL A 112 -8.606 -0.718 -3.835 1.00 98.88
|
| 898 |
+
ATOM 894 O VAL A 112 -7.531 -0.431 -3.302 1.00 98.88
|
| 899 |
+
ATOM 895 CB VAL A 112 -10.193 1.192 -3.286 1.00 98.88
|
| 900 |
+
ATOM 896 CG1 VAL A 112 -10.063 1.724 -4.719 1.00 98.88
|
| 901 |
+
ATOM 897 CG2 VAL A 112 -11.587 1.564 -2.771 1.00 98.88
|
| 902 |
+
ATOM 898 N LEU A 113 -8.681 -1.376 -4.993 1.00 98.89
|
| 903 |
+
ATOM 899 CA LEU A 113 -7.513 -1.669 -5.820 1.00 98.89
|
| 904 |
+
ATOM 900 C LEU A 113 -7.140 -0.428 -6.634 1.00 98.89
|
| 905 |
+
ATOM 901 O LEU A 113 -7.981 0.131 -7.342 1.00 98.89
|
| 906 |
+
ATOM 902 CB LEU A 113 -7.801 -2.882 -6.724 1.00 98.89
|
| 907 |
+
ATOM 903 CG LEU A 113 -6.589 -3.321 -7.568 1.00 98.89
|
| 908 |
+
ATOM 904 CD1 LEU A 113 -5.438 -3.805 -6.693 1.00 98.89
|
| 909 |
+
ATOM 905 CD2 LEU A 113 -6.971 -4.458 -8.513 1.00 98.89
|
| 910 |
+
ATOM 906 N VAL A 114 -5.874 -0.020 -6.574 1.00 98.92
|
| 911 |
+
ATOM 907 CA VAL A 114 -5.382 1.181 -7.256 1.00 98.92
|
| 912 |
+
ATOM 908 C VAL A 114 -4.246 0.829 -8.208 1.00 98.92
|
| 913 |
+
ATOM 909 O VAL A 114 -3.180 0.393 -7.776 1.00 98.92
|
| 914 |
+
ATOM 910 CB VAL A 114 -4.963 2.263 -6.249 1.00 98.92
|
| 915 |
+
ATOM 911 CG1 VAL A 114 -4.493 3.529 -6.971 1.00 98.92
|
| 916 |
+
ATOM 912 CG2 VAL A 114 -6.125 2.658 -5.329 1.00 98.92
|
| 917 |
+
ATOM 913 N GLY A 115 -4.470 1.051 -9.503 1.00 98.87
|
| 918 |
+
ATOM 914 CA GLY A 115 -3.441 0.946 -10.539 1.00 98.87
|
| 919 |
+
ATOM 915 C GLY A 115 -2.812 2.308 -10.797 1.00 98.87
|
| 920 |
+
ATOM 916 O GLY A 115 -3.341 3.092 -11.583 1.00 98.87
|
| 921 |
+
ATOM 917 N ASN A 116 -1.704 2.607 -10.127 1.00 98.77
|
| 922 |
+
ATOM 918 CA ASN A 116 -1.046 3.905 -10.224 1.00 98.77
|
| 923 |
+
ATOM 919 C ASN A 116 -0.102 4.002 -11.434 1.00 98.77
|
| 924 |
+
ATOM 920 O ASN A 116 0.297 2.993 -12.020 1.00 98.77
|
| 925 |
+
ATOM 921 CB ASN A 116 -0.344 4.215 -8.892 1.00 98.77
|
| 926 |
+
ATOM 922 CG ASN A 116 0.074 5.671 -8.760 1.00 98.77
|
| 927 |
+
ATOM 923 OD1 ASN A 116 -0.557 6.591 -9.269 1.00 98.77
|
| 928 |
+
ATOM 924 ND2 ASN A 116 1.168 5.926 -8.089 1.00 98.77
|
| 929 |
+
ATOM 925 N LYS A 117 0.320 5.233 -11.744 1.00 98.14
|
| 930 |
+
ATOM 926 CA LYS A 117 1.211 5.595 -12.858 1.00 98.14
|
| 931 |
+
ATOM 927 C LYS A 117 0.587 5.360 -14.234 1.00 98.14
|
| 932 |
+
ATOM 928 O LYS A 117 1.296 5.035 -15.184 1.00 98.14
|
| 933 |
+
ATOM 929 CB LYS A 117 2.602 4.944 -12.726 1.00 98.14
|
| 934 |
+
ATOM 930 CG LYS A 117 3.206 4.999 -11.317 1.00 98.14
|
| 935 |
+
ATOM 931 CD LYS A 117 4.676 4.575 -11.364 1.00 98.14
|
| 936 |
+
ATOM 932 CE LYS A 117 5.225 4.467 -9.942 1.00 98.14
|
| 937 |
+
ATOM 933 NZ LYS A 117 6.675 4.166 -9.937 1.00 98.14
|
| 938 |
+
ATOM 934 N CYS A 118 -0.735 5.522 -14.351 1.00 98.30
|
| 939 |
+
ATOM 935 CA CYS A 118 -1.448 5.348 -15.621 1.00 98.30
|
| 940 |
+
ATOM 936 C CYS A 118 -1.050 6.363 -16.709 1.00 98.30
|
| 941 |
+
ATOM 937 O CYS A 118 -1.418 6.185 -17.866 1.00 98.30
|
| 942 |
+
ATOM 938 CB CYS A 118 -2.962 5.320 -15.368 1.00 98.30
|
| 943 |
+
ATOM 939 SG CYS A 118 -3.554 6.945 -14.818 1.00 98.30
|
| 944 |
+
ATOM 940 N ASP A 119 -0.273 7.391 -16.353 1.00 97.84
|
| 945 |
+
ATOM 941 CA ASP A 119 0.351 8.344 -17.272 1.00 97.84
|
| 946 |
+
ATOM 942 C ASP A 119 1.558 7.777 -18.041 1.00 97.84
|
| 947 |
+
ATOM 943 O ASP A 119 1.966 8.356 -19.048 1.00 97.84
|
| 948 |
+
ATOM 944 CB ASP A 119 0.768 9.591 -16.475 1.00 97.84
|
| 949 |
+
ATOM 945 CG ASP A 119 1.748 9.285 -15.334 1.00 97.84
|
| 950 |
+
ATOM 946 OD1 ASP A 119 1.269 8.759 -14.296 1.00 97.84
|
| 951 |
+
ATOM 947 OD2 ASP A 119 2.938 9.645 -15.446 1.00 97.84
|
| 952 |
+
ATOM 948 N LEU A 120 2.145 6.661 -17.592 1.00 96.90
|
| 953 |
+
ATOM 949 CA LEU A 120 3.327 6.087 -18.231 1.00 96.90
|
| 954 |
+
ATOM 950 C LEU A 120 2.960 5.235 -19.459 1.00 96.90
|
| 955 |
+
ATOM 951 O LEU A 120 2.050 4.408 -19.383 1.00 96.90
|
| 956 |
+
ATOM 952 CB LEU A 120 4.147 5.270 -17.218 1.00 96.90
|
| 957 |
+
ATOM 953 CG LEU A 120 4.731 6.092 -16.055 1.00 96.90
|
| 958 |
+
ATOM 954 CD1 LEU A 120 5.540 5.161 -15.150 1.00 96.90
|
| 959 |
+
ATOM 955 CD2 LEU A 120 5.668 7.208 -16.525 1.00 96.90
|
| 960 |
+
ATOM 956 N PRO A 121 3.716 5.339 -20.571 1.00 96.09
|
| 961 |
+
ATOM 957 CA PRO A 121 3.475 4.527 -21.766 1.00 96.09
|
| 962 |
+
ATOM 958 C PRO A 121 3.909 3.062 -21.596 1.00 96.09
|
| 963 |
+
ATOM 959 O PRO A 121 3.440 2.190 -22.322 1.00 96.09
|
| 964 |
+
ATOM 960 CB PRO A 121 4.266 5.227 -22.876 1.00 96.09
|
| 965 |
+
ATOM 961 CG PRO A 121 5.439 5.865 -22.131 1.00 96.09
|
| 966 |
+
ATOM 962 CD PRO A 121 4.814 6.273 -20.799 1.00 96.09
|
| 967 |
+
ATOM 963 N SER A 122 4.797 2.767 -20.643 1.00 96.27
|
| 968 |
+
ATOM 964 CA SER A 122 5.376 1.440 -20.397 1.00 96.27
|
| 969 |
+
ATOM 965 C SER A 122 4.469 0.524 -19.563 1.00 96.27
|
| 970 |
+
ATOM 966 O SER A 122 4.920 -0.114 -18.613 1.00 96.27
|
| 971 |
+
ATOM 967 CB SER A 122 6.781 1.592 -19.797 1.00 96.27
|
| 972 |
+
ATOM 968 OG SER A 122 6.790 2.476 -18.685 1.00 96.27
|
| 973 |
+
ATOM 969 N ARG A 123 3.175 0.457 -19.895 1.00 98.11
|
| 974 |
+
ATOM 970 CA ARG A 123 2.218 -0.433 -19.223 1.00 98.11
|
| 975 |
+
ATOM 971 C ARG A 123 2.618 -1.901 -19.410 1.00 98.11
|
| 976 |
+
ATOM 972 O ARG A 123 2.831 -2.349 -20.531 1.00 98.11
|
| 977 |
+
ATOM 973 CB ARG A 123 0.802 -0.166 -19.754 1.00 98.11
|
| 978 |
+
ATOM 974 CG ARG A 123 -0.244 -1.072 -19.082 1.00 98.11
|
| 979 |
+
ATOM 975 CD ARG A 123 -1.657 -0.782 -19.590 1.00 98.11
|
| 980 |
+
ATOM 976 NE ARG A 123 -2.179 0.507 -19.095 1.00 98.11
|
| 981 |
+
ATOM 977 CZ ARG A 123 -2.960 0.681 -18.041 1.00 98.11
|
| 982 |
+
ATOM 978 NH1 ARG A 123 -3.209 -0.261 -17.178 1.00 98.11
|
| 983 |
+
ATOM 979 NH2 ARG A 123 -3.534 1.834 -17.842 1.00 98.11
|
| 984 |
+
ATOM 980 N THR A 124 2.656 -2.644 -18.309 1.00 98.21
|
| 985 |
+
ATOM 981 CA THR A 124 2.895 -4.098 -18.273 1.00 98.21
|
| 986 |
+
ATOM 982 C THR A 124 1.750 -4.877 -17.623 1.00 98.21
|
| 987 |
+
ATOM 983 O THR A 124 1.733 -6.103 -17.691 1.00 98.21
|
| 988 |
+
ATOM 984 CB THR A 124 4.205 -4.422 -17.547 1.00 98.21
|
| 989 |
+
ATOM 985 OG1 THR A 124 4.212 -3.865 -16.253 1.00 98.21
|
| 990 |
+
ATOM 986 CG2 THR A 124 5.429 -3.855 -18.264 1.00 98.21
|
| 991 |
+
ATOM 987 N VAL A 125 0.786 -4.179 -17.011 1.00 98.23
|
| 992 |
+
ATOM 988 CA VAL A 125 -0.450 -4.750 -16.462 1.00 98.23
|
| 993 |
+
ATOM 989 C VAL A 125 -1.645 -4.151 -17.196 1.00 98.23
|
| 994 |
+
ATOM 990 O VAL A 125 -1.905 -2.942 -17.119 1.00 98.23
|
| 995 |
+
ATOM 991 CB VAL A 125 -0.555 -4.503 -14.947 1.00 98.23
|
| 996 |
+
ATOM 992 CG1 VAL A 125 -1.816 -5.160 -14.365 1.00 98.23
|
| 997 |
+
ATOM 993 CG2 VAL A 125 0.665 -5.056 -14.200 1.00 98.23
|
| 998 |
+
ATOM 994 N ASP A 126 -2.392 -4.998 -17.896 1.00 97.40
|
| 999 |
+
ATOM 995 CA ASP A 126 -3.565 -4.566 -18.646 1.00 97.40
|
| 1000 |
+
ATOM 996 C ASP A 126 -4.697 -4.152 -17.704 1.00 97.40
|
| 1001 |
+
ATOM 997 O ASP A 126 -4.988 -4.812 -16.703 1.00 97.40
|
| 1002 |
+
ATOM 998 CB ASP A 126 -4.052 -5.667 -19.598 1.00 97.40
|
| 1003 |
+
ATOM 999 CG ASP A 126 -3.130 -5.903 -20.795 1.00 97.40
|
| 1004 |
+
ATOM 1000 OD1 ASP A 126 -2.416 -4.947 -21.171 1.00 97.40
|
| 1005 |
+
ATOM 1001 OD2 ASP A 126 -3.240 -7.009 -21.366 1.00 97.40
|
| 1006 |
+
ATOM 1002 N THR A 127 -5.420 -3.093 -18.073 1.00 97.81
|
| 1007 |
+
ATOM 1003 CA THR A 127 -6.600 -2.619 -17.331 1.00 97.81
|
| 1008 |
+
ATOM 1004 C THR A 127 -7.612 -3.744 -17.103 1.00 97.81
|
| 1009 |
+
ATOM 1005 O THR A 127 -8.185 -3.850 -16.020 1.00 97.81
|
| 1010 |
+
ATOM 1006 CB THR A 127 -7.261 -1.477 -18.113 1.00 97.81
|
| 1011 |
+
ATOM 1007 OG1 THR A 127 -6.325 -0.445 -18.310 1.00 97.81
|
| 1012 |
+
ATOM 1008 CG2 THR A 127 -8.479 -0.864 -17.434 1.00 97.81
|
| 1013 |
+
ATOM 1009 N LYS A 128 -7.791 -4.631 -18.092 1.00 98.23
|
| 1014 |
+
ATOM 1010 CA LYS A 128 -8.690 -5.784 -17.982 1.00 98.23
|
| 1015 |
+
ATOM 1011 C LYS A 128 -8.239 -6.765 -16.892 1.00 98.23
|
| 1016 |
+
ATOM 1012 O LYS A 128 -9.071 -7.201 -16.105 1.00 98.23
|
| 1017 |
+
ATOM 1013 CB LYS A 128 -8.813 -6.473 -19.349 1.00 98.23
|
| 1018 |
+
ATOM 1014 CG LYS A 128 -9.907 -7.548 -19.306 1.00 98.23
|
| 1019 |
+
ATOM 1015 CD LYS A 128 -9.946 -8.382 -20.585 1.00 98.23
|
| 1020 |
+
ATOM 1016 CE LYS A 128 -10.960 -9.509 -20.362 1.00 98.23
|
| 1021 |
+
ATOM 1017 NZ LYS A 128 -10.606 -10.720 -21.137 1.00 98.23
|
| 1022 |
+
ATOM 1018 N GLN A 129 -6.941 -7.072 -16.807 1.00 97.89
|
| 1023 |
+
ATOM 1019 CA GLN A 129 -6.406 -7.969 -15.774 1.00 97.89
|
| 1024 |
+
ATOM 1020 C GLN A 129 -6.674 -7.411 -14.371 1.00 97.89
|
| 1025 |
+
ATOM 1021 O GLN A 129 -7.143 -8.134 -13.494 1.00 97.89
|
| 1026 |
+
ATOM 1022 CB GLN A 129 -4.894 -8.170 -15.967 1.00 97.89
|
| 1027 |
+
ATOM 1023 CG GLN A 129 -4.525 -8.961 -17.230 1.00 97.89
|
| 1028 |
+
ATOM 1024 CD GLN A 129 -3.012 -8.979 -17.434 1.00 97.89
|
| 1029 |
+
ATOM 1025 OE1 GLN A 129 -2.362 -7.952 -17.515 1.00 97.89
|
| 1030 |
+
ATOM 1026 NE2 GLN A 129 -2.386 -10.135 -17.485 1.00 97.89
|
| 1031 |
+
ATOM 1027 N ALA A 130 -6.443 -6.110 -14.172 1.00 98.54
|
| 1032 |
+
ATOM 1028 CA ALA A 130 -6.692 -5.457 -12.890 1.00 98.54
|
| 1033 |
+
ATOM 1029 C ALA A 130 -8.188 -5.379 -12.535 1.00 98.54
|
| 1034 |
+
ATOM 1030 O ALA A 130 -8.564 -5.608 -11.385 1.00 98.54
|
| 1035 |
+
ATOM 1031 CB ALA A 130 -6.030 -4.080 -12.926 1.00 98.54
|
| 1036 |
+
ATOM 1032 N GLN A 131 -9.054 -5.122 -13.519 1.00 98.62
|
| 1037 |
+
ATOM 1033 CA GLN A 131 -10.509 -5.153 -13.341 1.00 98.62
|
| 1038 |
+
ATOM 1034 C GLN A 131 -11.023 -6.548 -12.976 1.00 98.62
|
| 1039 |
+
ATOM 1035 O GLN A 131 -11.859 -6.675 -12.080 1.00 98.62
|
| 1040 |
+
ATOM 1036 CB GLN A 131 -11.196 -4.702 -14.635 1.00 98.62
|
| 1041 |
+
ATOM 1037 CG GLN A 131 -11.134 -3.185 -14.829 1.00 98.62
|
| 1042 |
+
ATOM 1038 CD GLN A 131 -11.658 -2.744 -16.190 1.00 98.62
|
| 1043 |
+
ATOM 1039 OE1 GLN A 131 -11.839 -3.510 -17.122 1.00 98.62
|
| 1044 |
+
ATOM 1040 NE2 GLN A 131 -11.938 -1.470 -16.362 1.00 98.62
|
| 1045 |
+
ATOM 1041 N ASP A 132 -10.536 -7.589 -13.653 1.00 98.64
|
| 1046 |
+
ATOM 1042 CA ASP A 132 -10.926 -8.971 -13.379 1.00 98.64
|
| 1047 |
+
ATOM 1043 C ASP A 132 -10.460 -9.400 -11.976 1.00 98.64
|
| 1048 |
+
ATOM 1044 O ASP A 132 -11.238 -10.008 -11.235 1.00 98.64
|
| 1049 |
+
ATOM 1045 CB ASP A 132 -10.408 -9.900 -14.498 1.00 98.64
|
| 1050 |
+
ATOM 1046 CG ASP A 132 -11.176 -9.773 -15.833 1.00 98.64
|
| 1051 |
+
ATOM 1047 OD1 ASP A 132 -12.362 -9.344 -15.818 1.00 98.64
|
| 1052 |
+
ATOM 1048 OD2 ASP A 132 -10.622 -10.178 -16.885 1.00 98.64
|
| 1053 |
+
ATOM 1049 N LEU A 133 -9.256 -8.989 -11.553 1.00 98.47
|
| 1054 |
+
ATOM 1050 CA LEU A 133 -8.772 -9.204 -10.186 1.00 98.47
|
| 1055 |
+
ATOM 1051 C LEU A 133 -9.659 -8.498 -9.149 1.00 98.47
|
| 1056 |
+
ATOM 1052 O LEU A 133 -10.126 -9.134 -8.204 1.00 98.47
|
| 1057 |
+
ATOM 1053 CB LEU A 133 -7.307 -8.744 -10.069 1.00 98.47
|
| 1058 |
+
ATOM 1054 CG LEU A 133 -6.688 -9.032 -8.686 1.00 98.47
|
| 1059 |
+
ATOM 1055 CD1 LEU A 133 -6.555 -10.535 -8.440 1.00 98.47
|
| 1060 |
+
ATOM 1056 CD2 LEU A 133 -5.303 -8.401 -8.568 1.00 98.47
|
| 1061 |
+
ATOM 1057 N ALA A 134 -9.944 -7.208 -9.332 1.00 98.68
|
| 1062 |
+
ATOM 1058 CA ALA A 134 -10.796 -6.453 -8.413 1.00 98.68
|
| 1063 |
+
ATOM 1059 C ALA A 134 -12.210 -7.045 -8.311 1.00 98.68
|
| 1064 |
+
ATOM 1060 O ALA A 134 -12.743 -7.182 -7.209 1.00 98.68
|
| 1065 |
+
ATOM 1061 CB ALA A 134 -10.834 -5.006 -8.884 1.00 98.68
|
| 1066 |
+
ATOM 1062 N ARG A 135 -12.779 -7.494 -9.441 1.00 98.38
|
| 1067 |
+
ATOM 1063 CA ARG A 135 -14.060 -8.214 -9.473 1.00 98.38
|
| 1068 |
+
ATOM 1064 C ARG A 135 -13.990 -9.515 -8.675 1.00 98.38
|
| 1069 |
+
ATOM 1065 O ARG A 135 -14.912 -9.788 -7.915 1.00 98.38
|
| 1070 |
+
ATOM 1066 CB ARG A 135 -14.480 -8.474 -10.930 1.00 98.38
|
| 1071 |
+
ATOM 1067 CG ARG A 135 -15.921 -9.010 -11.025 1.00 98.38
|
| 1072 |
+
ATOM 1068 CD ARG A 135 -16.297 -9.458 -12.445 1.00 98.38
|
| 1073 |
+
ATOM 1069 NE ARG A 135 -16.200 -8.358 -13.430 1.00 98.38
|
| 1074 |
+
ATOM 1070 CZ ARG A 135 -15.545 -8.389 -14.580 1.00 98.38
|
| 1075 |
+
ATOM 1071 NH1 ARG A 135 -15.013 -9.474 -15.057 1.00 98.38
|
| 1076 |
+
ATOM 1072 NH2 ARG A 135 -15.375 -7.307 -15.279 1.00 98.38
|
| 1077 |
+
ATOM 1073 N SER A 136 -12.909 -10.287 -8.811 1.00 97.90
|
| 1078 |
+
ATOM 1074 CA SER A 136 -12.719 -11.533 -8.051 1.00 97.90
|
| 1079 |
+
ATOM 1075 C SER A 136 -12.631 -11.300 -6.538 1.00 97.90
|
| 1080 |
+
ATOM 1076 O SER A 136 -13.073 -12.137 -5.756 1.00 97.90
|
| 1081 |
+
ATOM 1077 CB SER A 136 -11.487 -12.294 -8.557 1.00 97.90
|
| 1082 |
+
ATOM 1078 OG SER A 136 -10.274 -11.774 -8.051 1.00 97.90
|
| 1083 |
+
ATOM 1079 N TYR A 137 -12.118 -10.140 -6.121 1.00 97.87
|
| 1084 |
+
ATOM 1080 CA TYR A 137 -12.059 -9.729 -4.719 1.00 97.87
|
| 1085 |
+
ATOM 1081 C TYR A 137 -13.322 -9.023 -4.224 1.00 97.87
|
| 1086 |
+
ATOM 1082 O TYR A 137 -13.450 -8.837 -3.016 1.00 97.87
|
| 1087 |
+
ATOM 1083 CB TYR A 137 -10.817 -8.851 -4.519 1.00 97.87
|
| 1088 |
+
ATOM 1084 CG TYR A 137 -9.471 -9.538 -4.676 1.00 97.87
|
| 1089 |
+
ATOM 1085 CD1 TYR A 137 -9.330 -10.936 -4.527 1.00 97.87
|
| 1090 |
+
ATOM 1086 CD2 TYR A 137 -8.332 -8.750 -4.936 1.00 97.87
|
| 1091 |
+
ATOM 1087 CE1 TYR A 137 -8.063 -11.534 -4.616 1.00 97.87
|
| 1092 |
+
ATOM 1088 CE2 TYR A 137 -7.061 -9.348 -5.033 1.00 97.87
|
| 1093 |
+
ATOM 1089 CZ TYR A 137 -6.927 -10.743 -4.865 1.00 97.87
|
| 1094 |
+
ATOM 1090 OH TYR A 137 -5.706 -11.334 -4.931 1.00 97.87
|
| 1095 |
+
ATOM 1091 N GLY A 138 -14.234 -8.642 -5.121 1.00 97.88
|
| 1096 |
+
ATOM 1092 CA GLY A 138 -15.443 -7.895 -4.782 1.00 97.88
|
| 1097 |
+
ATOM 1093 C GLY A 138 -15.178 -6.446 -4.366 1.00 97.88
|
| 1098 |
+
ATOM 1094 O GLY A 138 -15.933 -5.917 -3.557 1.00 97.88
|
| 1099 |
+
ATOM 1095 N ILE A 139 -14.118 -5.814 -4.886 1.00 98.60
|
| 1100 |
+
ATOM 1096 CA ILE A 139 -13.705 -4.452 -4.504 1.00 98.60
|
| 1101 |
+
ATOM 1097 C ILE A 139 -13.647 -3.508 -5.716 1.00 98.60
|
| 1102 |
+
ATOM 1098 O ILE A 139 -13.465 -3.971 -6.846 1.00 98.60
|
| 1103 |
+
ATOM 1099 CB ILE A 139 -12.374 -4.459 -3.717 1.00 98.60
|
| 1104 |
+
ATOM 1100 CG1 ILE A 139 -11.174 -4.894 -4.588 1.00 98.60
|
| 1105 |
+
ATOM 1101 CG2 ILE A 139 -12.538 -5.322 -2.452 1.00 98.60
|
| 1106 |
+
ATOM 1102 CD1 ILE A 139 -9.829 -4.886 -3.852 1.00 98.60
|
| 1107 |
+
ATOM 1103 N PRO A 140 -13.765 -2.181 -5.523 1.00 98.74
|
| 1108 |
+
ATOM 1104 CA PRO A 140 -13.578 -1.213 -6.599 1.00 98.74
|
| 1109 |
+
ATOM 1105 C PRO A 140 -12.147 -1.213 -7.154 1.00 98.74
|
| 1110 |
+
ATOM 1106 O PRO A 140 -11.182 -1.448 -6.425 1.00 98.74
|
| 1111 |
+
ATOM 1107 CB PRO A 140 -13.955 0.150 -6.007 1.00 98.74
|
| 1112 |
+
ATOM 1108 CG PRO A 140 -14.847 -0.206 -4.818 1.00 98.74
|
| 1113 |
+
ATOM 1109 CD PRO A 140 -14.230 -1.505 -4.319 1.00 98.74
|
| 1114 |
+
ATOM 1110 N PHE A 141 -12.013 -0.872 -8.438 1.00 98.80
|
| 1115 |
+
ATOM 1111 CA PHE A 141 -10.732 -0.623 -9.100 1.00 98.80
|
| 1116 |
+
ATOM 1112 C PHE A 141 -10.685 0.785 -9.689 1.00 98.80
|
| 1117 |
+
ATOM 1113 O PHE A 141 -11.616 1.203 -10.384 1.00 98.80
|
| 1118 |
+
ATOM 1114 CB PHE A 141 -10.477 -1.664 -10.190 1.00 98.80
|
| 1119 |
+
ATOM 1115 CG PHE A 141 -9.278 -1.366 -11.071 1.00 98.80
|
| 1120 |
+
ATOM 1116 CD1 PHE A 141 -9.451 -1.182 -12.452 1.00 98.80
|
| 1121 |
+
ATOM 1117 CD2 PHE A 141 -7.994 -1.246 -10.510 1.00 98.80
|
| 1122 |
+
ATOM 1118 CE1 PHE A 141 -8.342 -0.932 -13.276 1.00 98.80
|
| 1123 |
+
ATOM 1119 CE2 PHE A 141 -6.888 -0.965 -11.329 1.00 98.80
|
| 1124 |
+
ATOM 1120 CZ PHE A 141 -7.059 -0.831 -12.716 1.00 98.80
|
| 1125 |
+
ATOM 1121 N ILE A 142 -9.592 1.505 -9.431 1.00 98.79
|
| 1126 |
+
ATOM 1122 CA ILE A 142 -9.360 2.857 -9.944 1.00 98.79
|
| 1127 |
+
ATOM 1123 C ILE A 142 -7.933 2.946 -10.487 1.00 98.79
|
| 1128 |
+
ATOM 1124 O ILE A 142 -6.967 2.663 -9.783 1.00 98.79
|
| 1129 |
+
ATOM 1125 CB ILE A 142 -9.668 3.912 -8.849 1.00 98.79
|
| 1130 |
+
ATOM 1126 CG1 ILE A 142 -11.165 3.824 -8.461 1.00 98.79
|
| 1131 |
+
ATOM 1127 CG2 ILE A 142 -9.342 5.333 -9.349 1.00 98.79
|
| 1132 |
+
ATOM 1128 CD1 ILE A 142 -11.618 4.705 -7.300 1.00 98.79
|
| 1133 |
+
ATOM 1129 N GLU A 143 -7.793 3.366 -11.744 1.00 98.76
|
| 1134 |
+
ATOM 1130 CA GLU A 143 -6.495 3.779 -12.278 1.00 98.76
|
| 1135 |
+
ATOM 1131 C GLU A 143 -6.216 5.234 -11.907 1.00 98.76
|
| 1136 |
+
ATOM 1132 O GLU A 143 -7.090 6.096 -12.052 1.00 98.76
|
| 1137 |
+
ATOM 1133 CB GLU A 143 -6.393 3.573 -13.795 1.00 98.76
|
| 1138 |
+
ATOM 1134 CG GLU A 143 -6.766 2.139 -14.196 1.00 98.76
|
| 1139 |
+
ATOM 1135 CD GLU A 143 -6.092 1.664 -15.492 1.00 98.76
|
| 1140 |
+
ATOM 1136 OE1 GLU A 143 -5.923 2.479 -16.431 1.00 98.76
|
| 1141 |
+
ATOM 1137 OE2 GLU A 143 -5.762 0.470 -15.628 1.00 98.76
|
| 1142 |
+
ATOM 1138 N THR A 144 -5.000 5.495 -11.436 1.00 98.82
|
| 1143 |
+
ATOM 1139 CA THR A 144 -4.576 6.810 -10.956 1.00 98.82
|
| 1144 |
+
ATOM 1140 C THR A 144 -3.241 7.221 -11.548 1.00 98.82
|
| 1145 |
+
ATOM 1141 O THR A 144 -2.382 6.399 -11.874 1.00 98.82
|
| 1146 |
+
ATOM 1142 CB THR A 144 -4.474 6.878 -9.421 1.00 98.82
|
| 1147 |
+
ATOM 1143 OG1 THR A 144 -3.355 6.159 -8.945 1.00 98.82
|
| 1148 |
+
ATOM 1144 CG2 THR A 144 -5.715 6.326 -8.729 1.00 98.82
|
| 1149 |
+
ATOM 1145 N SER A 145 -3.021 8.528 -11.585 1.00 98.44
|
| 1150 |
+
ATOM 1146 CA SER A 145 -1.695 9.096 -11.774 1.00 98.44
|
| 1151 |
+
ATOM 1147 C SER A 145 -1.469 10.145 -10.700 1.00 98.44
|
| 1152 |
+
ATOM 1148 O SER A 145 -2.070 11.220 -10.723 1.00 98.44
|
| 1153 |
+
ATOM 1149 CB SER A 145 -1.566 9.669 -13.181 1.00 98.44
|
| 1154 |
+
ATOM 1150 OG SER A 145 -0.393 10.453 -13.291 1.00 98.44
|
| 1155 |
+
ATOM 1151 N ALA A 146 -0.575 9.840 -9.757 1.00 98.03
|
| 1156 |
+
ATOM 1152 CA ALA A 146 -0.110 10.833 -8.794 1.00 98.03
|
| 1157 |
+
ATOM 1153 C ALA A 146 0.520 12.043 -9.507 1.00 98.03
|
| 1158 |
+
ATOM 1154 O ALA A 146 0.312 13.172 -9.078 1.00 98.03
|
| 1159 |
+
ATOM 1155 CB ALA A 146 0.878 10.173 -7.830 1.00 98.03
|
| 1160 |
+
ATOM 1156 N LYS A 147 1.208 11.828 -10.638 1.00 97.40
|
| 1161 |
+
ATOM 1157 CA LYS A 147 1.873 12.881 -11.419 1.00 97.40
|
| 1162 |
+
ATOM 1158 C LYS A 147 0.899 13.899 -12.006 1.00 97.40
|
| 1163 |
+
ATOM 1159 O LYS A 147 1.114 15.099 -11.890 1.00 97.40
|
| 1164 |
+
ATOM 1160 CB LYS A 147 2.726 12.214 -12.507 1.00 97.40
|
| 1165 |
+
ATOM 1161 CG LYS A 147 3.556 13.239 -13.289 1.00 97.40
|
| 1166 |
+
ATOM 1162 CD LYS A 147 4.482 12.518 -14.269 1.00 97.40
|
| 1167 |
+
ATOM 1163 CE LYS A 147 5.394 13.524 -14.971 1.00 97.40
|
| 1168 |
+
ATOM 1164 NZ LYS A 147 6.458 12.819 -15.724 1.00 97.40
|
| 1169 |
+
ATOM 1165 N THR A 148 -0.185 13.427 -12.618 1.00 97.20
|
| 1170 |
+
ATOM 1166 CA THR A 148 -1.185 14.289 -13.281 1.00 97.20
|
| 1171 |
+
ATOM 1167 C THR A 148 -2.393 14.599 -12.397 1.00 97.20
|
| 1172 |
+
ATOM 1168 O THR A 148 -3.336 15.250 -12.843 1.00 97.20
|
| 1173 |
+
ATOM 1169 CB THR A 148 -1.650 13.682 -14.610 1.00 97.20
|
| 1174 |
+
ATOM 1170 OG1 THR A 148 -2.298 12.465 -14.358 1.00 97.20
|
| 1175 |
+
ATOM 1171 CG2 THR A 148 -0.497 13.403 -15.575 1.00 97.20
|
| 1176 |
+
ATOM 1172 N ARG A 149 -2.391 14.112 -11.147 1.00 97.39
|
| 1177 |
+
ATOM 1173 CA ARG A 149 -3.523 14.135 -10.205 1.00 97.39
|
| 1178 |
+
ATOM 1174 C ARG A 149 -4.768 13.384 -10.708 1.00 97.39
|
| 1179 |
+
ATOM 1175 O ARG A 149 -5.828 13.446 -10.085 1.00 97.39
|
| 1180 |
+
ATOM 1176 CB ARG A 149 -3.770 15.590 -9.759 1.00 97.39
|
| 1181 |
+
ATOM 1177 CG ARG A 149 -4.170 15.751 -8.286 1.00 97.39
|
| 1182 |
+
ATOM 1178 CD ARG A 149 -5.453 16.569 -8.172 1.00 97.39
|
| 1183 |
+
ATOM 1179 NE ARG A 149 -5.289 17.900 -8.785 1.00 97.39
|
| 1184 |
+
ATOM 1180 CZ ARG A 149 -5.883 18.330 -9.879 1.00 97.39
|
| 1185 |
+
ATOM 1181 NH1 ARG A 149 -6.668 17.548 -10.573 1.00 97.39
|
| 1186 |
+
ATOM 1182 NH2 ARG A 149 -5.730 19.554 -10.297 1.00 97.39
|
| 1187 |
+
ATOM 1183 N GLN A 150 -4.657 12.611 -11.789 1.00 98.49
|
| 1188 |
+
ATOM 1184 CA GLN A 150 -5.775 11.850 -12.334 1.00 98.49
|
| 1189 |
+
ATOM 1185 C GLN A 150 -6.335 10.887 -11.281 1.00 98.49
|
| 1190 |
+
ATOM 1186 O GLN A 150 -5.647 9.965 -10.837 1.00 98.49
|
| 1191 |
+
ATOM 1187 CB GLN A 150 -5.333 11.114 -13.604 1.00 98.49
|
| 1192 |
+
ATOM 1188 CG GLN A 150 -5.335 12.025 -14.839 1.00 98.49
|
| 1193 |
+
ATOM 1189 CD GLN A 150 -4.833 11.326 -16.097 1.00 98.49
|
| 1194 |
+
ATOM 1190 OE1 GLN A 150 -3.920 11.753 -16.773 1.00 98.49
|
| 1195 |
+
ATOM 1191 NE2 GLN A 150 -5.407 10.200 -16.460 1.00 98.49
|
| 1196 |
+
ATOM 1192 N GLY A 151 -7.604 11.116 -10.912 1.00 98.43
|
| 1197 |
+
ATOM 1193 CA GLY A 151 -8.427 10.262 -10.038 1.00 98.43
|
| 1198 |
+
ATOM 1194 C GLY A 151 -7.827 9.970 -8.657 1.00 98.43
|
| 1199 |
+
ATOM 1195 O GLY A 151 -8.217 9.003 -8.009 1.00 98.43
|
| 1200 |
+
ATOM 1196 N VAL A 152 -6.912 10.820 -8.184 1.00 98.50
|
| 1201 |
+
ATOM 1197 CA VAL A 152 -6.326 10.684 -6.842 1.00 98.50
|
| 1202 |
+
ATOM 1198 C VAL A 152 -7.420 10.796 -5.781 1.00 98.50
|
| 1203 |
+
ATOM 1199 O VAL A 152 -7.572 9.889 -4.975 1.00 98.50
|
| 1204 |
+
ATOM 1200 CB VAL A 152 -5.192 11.702 -6.616 1.00 98.50
|
| 1205 |
+
ATOM 1201 CG1 VAL A 152 -4.630 11.634 -5.191 1.00 98.50
|
| 1206 |
+
ATOM 1202 CG2 VAL A 152 -4.044 11.428 -7.595 1.00 98.50
|
| 1207 |
+
ATOM 1203 N ASP A 153 -8.244 11.847 -5.824 1.00 97.98
|
| 1208 |
+
ATOM 1204 CA ASP A 153 -9.364 12.019 -4.885 1.00 97.98
|
| 1209 |
+
ATOM 1205 C ASP A 153 -10.383 10.877 -4.982 1.00 97.98
|
| 1210 |
+
ATOM 1206 O ASP A 153 -10.781 10.332 -3.953 1.00 97.98
|
| 1211 |
+
ATOM 1207 CB ASP A 153 -10.044 13.376 -5.119 1.00 97.98
|
| 1212 |
+
ATOM 1208 CG ASP A 153 -10.778 13.433 -6.442 1.00 97.98
|
| 1213 |
+
ATOM 1209 OD1 ASP A 153 -10.289 12.835 -7.423 1.00 97.98
|
| 1214 |
+
ATOM 1210 OD2 ASP A 153 -11.844 14.080 -6.498 1.00 97.98
|
| 1215 |
+
ATOM 1211 N ASP A 154 -10.731 10.447 -6.202 1.00 98.50
|
| 1216 |
+
ATOM 1212 CA ASP A 154 -11.654 9.331 -6.433 1.00 98.50
|
| 1217 |
+
ATOM 1213 C ASP A 154 -11.234 8.067 -5.677 1.00 98.50
|
| 1218 |
+
ATOM 1214 O ASP A 154 -12.095 7.392 -5.112 1.00 98.50
|
| 1219 |
+
ATOM 1215 CB ASP A 154 -11.725 8.945 -7.919 1.00 98.50
|
| 1220 |
+
ATOM 1216 CG ASP A 154 -13.059 8.418 -8.432 1.00 98.50
|
| 1221 |
+
ATOM 1217 OD1 ASP A 154 -13.673 7.568 -7.757 1.00 98.50
|
| 1222 |
+
ATOM 1218 OD2 ASP A 154 -13.421 8.894 -9.538 1.00 98.50
|
| 1223 |
+
ATOM 1219 N ALA A 155 -9.936 7.743 -5.654 1.00 98.81
|
| 1224 |
+
ATOM 1220 CA ALA A 155 -9.417 6.551 -4.988 1.00 98.81
|
| 1225 |
+
ATOM 1221 C ALA A 155 -9.699 6.573 -3.477 1.00 98.81
|
| 1226 |
+
ATOM 1222 O ALA A 155 -10.319 5.650 -2.941 1.00 98.81
|
| 1227 |
+
ATOM 1223 CB ALA A 155 -7.927 6.409 -5.320 1.00 98.81
|
| 1228 |
+
ATOM 1224 N PHE A 156 -9.328 7.663 -2.802 1.00 98.70
|
| 1229 |
+
ATOM 1225 CA PHE A 156 -9.551 7.816 -1.362 1.00 98.70
|
| 1230 |
+
ATOM 1226 C PHE A 156 -11.039 7.973 -1.021 1.00 98.70
|
| 1231 |
+
ATOM 1227 O PHE A 156 -11.512 7.412 -0.033 1.00 98.70
|
| 1232 |
+
ATOM 1228 CB PHE A 156 -8.742 9.008 -0.836 1.00 98.70
|
| 1233 |
+
ATOM 1229 CG PHE A 156 -7.241 8.780 -0.821 1.00 98.70
|
| 1234 |
+
ATOM 1230 CD1 PHE A 156 -6.603 8.298 0.336 1.00 98.70
|
| 1235 |
+
ATOM 1231 CD2 PHE A 156 -6.463 9.102 -1.946 1.00 98.70
|
| 1236 |
+
ATOM 1232 CE1 PHE A 156 -5.205 8.138 0.359 1.00 98.70
|
| 1237 |
+
ATOM 1233 CE2 PHE A 156 -5.067 8.949 -1.927 1.00 98.70
|
| 1238 |
+
ATOM 1234 CZ PHE A 156 -4.435 8.465 -0.770 1.00 98.70
|
| 1239 |
+
ATOM 1235 N TYR A 157 -11.806 8.697 -1.838 1.00 98.60
|
| 1240 |
+
ATOM 1236 CA TYR A 157 -13.227 8.937 -1.569 1.00 98.60
|
| 1241 |
+
ATOM 1237 C TYR A 157 -14.060 7.678 -1.796 1.00 98.60
|
| 1242 |
+
ATOM 1238 O TYR A 157 -14.993 7.408 -1.043 1.00 98.60
|
| 1243 |
+
ATOM 1239 CB TYR A 157 -13.738 10.100 -2.427 1.00 98.60
|
| 1244 |
+
ATOM 1240 CG TYR A 157 -13.287 11.498 -2.029 1.00 98.60
|
| 1245 |
+
ATOM 1241 CD1 TYR A 157 -12.102 11.731 -1.293 1.00 98.60
|
| 1246 |
+
ATOM 1242 CD2 TYR A 157 -14.086 12.594 -2.410 1.00 98.60
|
| 1247 |
+
ATOM 1243 CE1 TYR A 157 -11.720 13.038 -0.948 1.00 98.60
|
| 1248 |
+
ATOM 1244 CE2 TYR A 157 -13.715 13.905 -2.053 1.00 98.60
|
| 1249 |
+
ATOM 1245 CZ TYR A 157 -12.531 14.126 -1.325 1.00 98.60
|
| 1250 |
+
ATOM 1246 OH TYR A 157 -12.166 15.385 -0.972 1.00 98.60
|
| 1251 |
+
ATOM 1247 N THR A 158 -13.700 6.864 -2.790 1.00 98.83
|
| 1252 |
+
ATOM 1248 CA THR A 158 -14.302 5.539 -2.981 1.00 98.83
|
| 1253 |
+
ATOM 1249 C THR A 158 -14.037 4.648 -1.775 1.00 98.83
|
| 1254 |
+
ATOM 1250 O THR A 158 -14.969 4.018 -1.287 1.00 98.83
|
| 1255 |
+
ATOM 1251 CB THR A 158 -13.800 4.887 -4.272 1.00 98.83
|
| 1256 |
+
ATOM 1252 OG1 THR A 158 -14.161 5.733 -5.339 1.00 98.83
|
| 1257 |
+
ATOM 1253 CG2 THR A 158 -14.433 3.526 -4.542 1.00 98.83
|
| 1258 |
+
ATOM 1254 N LEU A 159 -12.826 4.671 -1.210 1.00 98.84
|
| 1259 |
+
ATOM 1255 CA LEU A 159 -12.536 3.911 0.006 1.00 98.84
|
| 1260 |
+
ATOM 1256 C LEU A 159 -13.385 4.368 1.204 1.00 98.84
|
| 1261 |
+
ATOM 1257 O LEU A 159 -13.906 3.531 1.940 1.00 98.84
|
| 1262 |
+
ATOM 1258 CB LEU A 159 -11.033 3.993 0.302 1.00 98.84
|
| 1263 |
+
ATOM 1259 CG LEU A 159 -10.615 3.173 1.533 1.00 98.84
|
| 1264 |
+
ATOM 1260 CD1 LEU A 159 -10.919 1.685 1.342 1.00 98.84
|
| 1265 |
+
ATOM 1261 CD2 LEU A 159 -9.118 3.347 1.764 1.00 98.84
|
| 1266 |
+
ATOM 1262 N VAL A 160 -13.596 5.678 1.377 1.00 98.72
|
| 1267 |
+
ATOM 1263 CA VAL A 160 -14.516 6.192 2.409 1.00 98.72
|
| 1268 |
+
ATOM 1264 C VAL A 160 -15.935 5.652 2.208 1.00 98.72
|
| 1269 |
+
ATOM 1265 O VAL A 160 -16.579 5.236 3.174 1.00 98.72
|
| 1270 |
+
ATOM 1266 CB VAL A 160 -14.508 7.733 2.450 1.00 98.72
|
| 1271 |
+
ATOM 1267 CG1 VAL A 160 -15.574 8.282 3.409 1.00 98.72
|
| 1272 |
+
ATOM 1268 CG2 VAL A 160 -13.125 8.255 2.876 1.00 98.72
|
| 1273 |
+
ATOM 1269 N ARG A 161 -16.426 5.599 0.964 1.00 98.66
|
| 1274 |
+
ATOM 1270 CA ARG A 161 -17.745 5.020 0.648 1.00 98.66
|
| 1275 |
+
ATOM 1271 C ARG A 161 -17.816 3.529 0.976 1.00 98.66
|
| 1276 |
+
ATOM 1272 O ARG A 161 -18.824 3.098 1.533 1.00 98.66
|
| 1277 |
+
ATOM 1273 CB ARG A 161 -18.113 5.278 -0.818 1.00 98.66
|
| 1278 |
+
ATOM 1274 CG ARG A 161 -18.330 6.769 -1.104 1.00 98.66
|
| 1279 |
+
ATOM 1275 CD ARG A 161 -18.554 6.985 -2.601 1.00 98.66
|
| 1280 |
+
ATOM 1276 NE ARG A 161 -18.521 8.418 -2.925 1.00 98.66
|
| 1281 |
+
ATOM 1277 CZ ARG A 161 -17.671 9.052 -3.707 1.00 98.66
|
| 1282 |
+
ATOM 1278 NH1 ARG A 161 -16.667 8.458 -4.302 1.00 98.66
|
| 1283 |
+
ATOM 1279 NH2 ARG A 161 -17.832 10.323 -3.907 1.00 98.66
|
| 1284 |
+
ATOM 1280 N GLU A 162 -16.755 2.766 0.723 1.00 98.61
|
| 1285 |
+
ATOM 1281 CA GLU A 162 -16.681 1.351 1.112 1.00 98.61
|
| 1286 |
+
ATOM 1282 C GLU A 162 -16.723 1.176 2.641 1.00 98.61
|
| 1287 |
+
ATOM 1283 O GLU A 162 -17.472 0.339 3.150 1.00 98.61
|
| 1288 |
+
ATOM 1284 CB GLU A 162 -15.421 0.692 0.519 1.00 98.61
|
| 1289 |
+
ATOM 1285 CG GLU A 162 -15.454 0.566 -1.012 1.00 98.61
|
| 1290 |
+
ATOM 1286 CD GLU A 162 -16.683 -0.219 -1.484 1.00 98.61
|
| 1291 |
+
ATOM 1287 OE1 GLU A 162 -17.610 0.419 -2.041 1.00 98.61
|
| 1292 |
+
ATOM 1288 OE2 GLU A 162 -16.720 -1.438 -1.218 1.00 98.61
|
| 1293 |
+
ATOM 1289 N ILE A 163 -16.011 2.020 3.402 1.00 98.49
|
| 1294 |
+
ATOM 1290 CA ILE A 163 -16.067 2.005 4.876 1.00 98.49
|
| 1295 |
+
ATOM 1291 C ILE A 163 -17.483 2.329 5.373 1.00 98.49
|
| 1296 |
+
ATOM 1292 O ILE A 163 -17.999 1.646 6.263 1.00 98.49
|
| 1297 |
+
ATOM 1293 CB ILE A 163 -15.026 2.965 5.499 1.00 98.49
|
| 1298 |
+
ATOM 1294 CG1 ILE A 163 -13.586 2.521 5.160 1.00 98.49
|
| 1299 |
+
ATOM 1295 CG2 ILE A 163 -15.202 3.010 7.033 1.00 98.49
|
| 1300 |
+
ATOM 1296 CD1 ILE A 163 -12.540 3.607 5.440 1.00 98.49
|
| 1301 |
+
ATOM 1297 N ARG A 164 -18.145 3.337 4.788 1.00 97.84
|
| 1302 |
+
ATOM 1298 CA ARG A 164 -19.541 3.684 5.108 1.00 97.84
|
| 1303 |
+
ATOM 1299 C ARG A 164 -20.474 2.493 4.879 1.00 97.84
|
| 1304 |
+
ATOM 1300 O ARG A 164 -21.231 2.135 5.781 1.00 97.84
|
| 1305 |
+
ATOM 1301 CB ARG A 164 -19.999 4.889 4.271 1.00 97.84
|
| 1306 |
+
ATOM 1302 CG ARG A 164 -19.390 6.227 4.715 1.00 97.84
|
| 1307 |
+
ATOM 1303 CD ARG A 164 -19.709 7.299 3.663 1.00 97.84
|
| 1308 |
+
ATOM 1304 NE ARG A 164 -19.322 8.642 4.111 1.00 97.84
|
| 1309 |
+
ATOM 1305 CZ ARG A 164 -19.258 9.739 3.377 1.00 97.84
|
| 1310 |
+
ATOM 1306 NH1 ARG A 164 -19.503 9.790 2.098 1.00 97.84
|
| 1311 |
+
ATOM 1307 NH2 ARG A 164 -18.970 10.863 3.937 1.00 97.84
|
| 1312 |
+
ATOM 1308 OXT ARG A 164 -20.406 1.904 3.774 1.00 97.84
|
6quv/6quv_af2_holo_ligand.sdf
ADDED
|
@@ -0,0 +1,63 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
|
| 2 |
+
RDKit 3D
|
| 3 |
+
|
| 4 |
+
26 30 0 0 0 0 0 0 0 0999 V2000
|
| 5 |
+
2.6683 9.1202 15.1601 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 6 |
+
1.6589 8.0954 14.7652 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 7 |
+
0.4066 8.2145 15.5932 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 8 |
+
-0.7034 7.2940 15.1009 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 9 |
+
-1.1325 7.5060 13.6349 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 10 |
+
-1.5574 8.9688 13.4412 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 11 |
+
-2.4200 6.5797 13.1660 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 12 |
+
-3.5770 6.9536 13.9767 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 13 |
+
-4.1469 6.2311 14.9582 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 14 |
+
-5.1974 6.5868 15.4855 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 15 |
+
-3.4508 4.9939 15.3652 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 16 |
+
-3.7446 4.4164 16.6067 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 17 |
+
-3.1044 3.2491 16.9974 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 18 |
+
-2.1582 2.6665 16.1733 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 19 |
+
-1.8596 3.2317 14.9434 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 20 |
+
-2.5187 4.3794 14.5103 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 21 |
+
-2.1530 5.0418 13.1954 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 22 |
+
-2.9864 4.5846 12.0111 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 23 |
+
-3.3819 3.3171 11.6097 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 24 |
+
-4.1631 3.1799 10.4728 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 25 |
+
-4.4787 4.2907 9.6959 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 26 |
+
-4.0628 5.5627 10.0724 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 27 |
+
-3.2858 5.6940 11.2221 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 28 |
+
-2.7529 6.8509 11.7682 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 29 |
+
0.1962 7.2517 12.8916 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 30 |
+
1.3428 8.1778 13.2977 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 31 |
+
23 22 2 0
|
| 32 |
+
22 21 1 0
|
| 33 |
+
18 23 1 0
|
| 34 |
+
24 23 1 0
|
| 35 |
+
18 19 2 0
|
| 36 |
+
17 18 1 0
|
| 37 |
+
7 24 1 0
|
| 38 |
+
7 17 1 0
|
| 39 |
+
7 8 1 0
|
| 40 |
+
5 7 1 0
|
| 41 |
+
8 9 1 0
|
| 42 |
+
9 11 1 0
|
| 43 |
+
9 10 2 0
|
| 44 |
+
17 16 1 0
|
| 45 |
+
16 11 2 0
|
| 46 |
+
16 15 1 0
|
| 47 |
+
15 14 2 0
|
| 48 |
+
14 13 1 0
|
| 49 |
+
11 12 1 0
|
| 50 |
+
12 13 2 0
|
| 51 |
+
4 3 1 0
|
| 52 |
+
4 5 1 0
|
| 53 |
+
3 2 1 0
|
| 54 |
+
5 25 1 0
|
| 55 |
+
25 26 1 0
|
| 56 |
+
2 1 1 0
|
| 57 |
+
21 20 2 0
|
| 58 |
+
20 19 1 0
|
| 59 |
+
5 6 1 0
|
| 60 |
+
2 26 1 0
|
| 61 |
+
M CHG 1 2 1
|
| 62 |
+
M END
|
| 63 |
+
$$$$
|
6quv/6quv_af2_holo_protein.pdb
ADDED
|
The diff for this file is too large to render.
See raw diff
|
|
|
6quw/6quw_af2_apo_protein.pdb
ADDED
|
@@ -0,0 +1,1312 @@
|
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|
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|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
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|
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|
|
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|
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| 1 |
+
FoldX generated pdb file
|
| 2 |
+
|
| 3 |
+
Output generated by <BuildModel>
|
| 4 |
+
ATOM 0 N MET A 1 -17.695 15.412 13.812 1.00 84.65
|
| 5 |
+
ATOM 1 CA MET A 1 -17.137 15.177 12.465 1.00 84.65
|
| 6 |
+
ATOM 2 C MET A 1 -16.638 13.746 12.429 1.00 84.65
|
| 7 |
+
ATOM 3 O MET A 1 -15.945 13.363 13.362 1.00 84.65
|
| 8 |
+
ATOM 4 CB MET A 1 -16.004 16.174 12.174 1.00 84.65
|
| 9 |
+
ATOM 5 CG MET A 1 -15.366 15.953 10.801 1.00 84.65
|
| 10 |
+
ATOM 6 SD MET A 1 -14.159 17.208 10.308 1.00 84.65
|
| 11 |
+
ATOM 7 CE MET A 1 -12.915 17.048 11.617 1.00 84.65
|
| 12 |
+
ATOM 8 N THR A 2 -17.034 12.957 11.435 1.00 95.52
|
| 13 |
+
ATOM 9 CA THR A 2 -16.623 11.549 11.329 1.00 95.52
|
| 14 |
+
ATOM 10 C THR A 2 -15.152 11.460 10.921 1.00 95.52
|
| 15 |
+
ATOM 11 O THR A 2 -14.729 12.175 10.014 1.00 95.52
|
| 16 |
+
ATOM 12 CB THR A 2 -17.506 10.807 10.311 1.00 95.52
|
| 17 |
+
ATOM 13 OG1 THR A 2 -18.863 11.069 10.588 1.00 95.52
|
| 18 |
+
ATOM 14 CG2 THR A 2 -17.307 9.292 10.373 1.00 95.52
|
| 19 |
+
ATOM 15 N GLU A 3 -14.382 10.596 11.578 1.00 97.83
|
| 20 |
+
ATOM 16 CA GLU A 3 -13.004 10.260 11.197 1.00 97.83
|
| 21 |
+
ATOM 17 C GLU A 3 -12.985 8.909 10.464 1.00 97.83
|
| 22 |
+
ATOM 18 O GLU A 3 -13.749 7.996 10.808 1.00 97.83
|
| 23 |
+
ATOM 19 CB GLU A 3 -12.103 10.282 12.446 1.00 97.83
|
| 24 |
+
ATOM 20 CG GLU A 3 -10.598 10.137 12.151 1.00 97.83
|
| 25 |
+
ATOM 21 CD GLU A 3 -9.765 10.151 13.447 1.00 97.83
|
| 26 |
+
ATOM 22 OE1 GLU A 3 -8.923 9.243 13.631 1.00 97.83
|
| 27 |
+
ATOM 23 OE2 GLU A 3 -10.003 11.048 14.289 1.00 97.83
|
| 28 |
+
ATOM 24 N TYR A 4 -12.132 8.805 9.444 1.00 98.48
|
| 29 |
+
ATOM 25 CA TYR A 4 -11.878 7.580 8.689 1.00 98.48
|
| 30 |
+
ATOM 26 C TYR A 4 -10.377 7.293 8.665 1.00 98.48
|
| 31 |
+
ATOM 27 O TYR A 4 -9.612 8.085 8.109 1.00 98.48
|
| 32 |
+
ATOM 28 CB TYR A 4 -12.423 7.715 7.258 1.00 98.48
|
| 33 |
+
ATOM 29 CG TYR A 4 -13.926 7.892 7.167 1.00 98.48
|
| 34 |
+
ATOM 30 CD1 TYR A 4 -14.770 6.777 7.314 1.00 98.48
|
| 35 |
+
ATOM 31 CD2 TYR A 4 -14.482 9.165 6.933 1.00 98.48
|
| 36 |
+
ATOM 32 CE1 TYR A 4 -16.168 6.927 7.225 1.00 98.48
|
| 37 |
+
ATOM 33 CE2 TYR A 4 -15.881 9.323 6.862 1.00 98.48
|
| 38 |
+
ATOM 34 CZ TYR A 4 -16.727 8.206 7.012 1.00 98.48
|
| 39 |
+
ATOM 35 OH TYR A 4 -18.080 8.361 6.987 1.00 98.48
|
| 40 |
+
ATOM 36 N LYS A 5 -9.966 6.154 9.233 1.00 98.33
|
| 41 |
+
ATOM 37 CA LYS A 5 -8.559 5.721 9.245 1.00 98.33
|
| 42 |
+
ATOM 38 C LYS A 5 -8.235 4.916 7.996 1.00 98.33
|
| 43 |
+
ATOM 39 O LYS A 5 -8.637 3.759 7.878 1.00 98.33
|
| 44 |
+
ATOM 40 CB LYS A 5 -8.228 4.942 10.521 1.00 98.33
|
| 45 |
+
ATOM 41 CG LYS A 5 -8.483 5.804 11.758 1.00 98.33
|
| 46 |
+
ATOM 42 CD LYS A 5 -8.088 5.064 13.030 1.00 98.33
|
| 47 |
+
ATOM 43 CE LYS A 5 -8.363 6.029 14.182 1.00 98.33
|
| 48 |
+
ATOM 44 NZ LYS A 5 -7.900 5.475 15.470 1.00 98.33
|
| 49 |
+
ATOM 45 N LEU A 6 -7.530 5.523 7.056 1.00 98.61
|
| 50 |
+
ATOM 46 CA LEU A 6 -7.174 4.922 5.776 1.00 98.61
|
| 51 |
+
ATOM 47 C LEU A 6 -5.716 4.474 5.816 1.00 98.61
|
| 52 |
+
ATOM 48 O LEU A 6 -4.862 5.203 6.309 1.00 98.61
|
| 53 |
+
ATOM 49 CB LEU A 6 -7.421 5.921 4.632 1.00 98.61
|
| 54 |
+
ATOM 50 CG LEU A 6 -8.776 6.655 4.659 1.00 98.61
|
| 55 |
+
ATOM 51 CD1 LEU A 6 -8.932 7.485 3.385 1.00 98.61
|
| 56 |
+
ATOM 52 CD2 LEU A 6 -9.970 5.704 4.747 1.00 98.61
|
| 57 |
+
ATOM 53 N VAL A 7 -5.414 3.303 5.268 1.00 98.29
|
| 58 |
+
ATOM 54 CA VAL A 7 -4.032 2.818 5.159 1.00 98.29
|
| 59 |
+
ATOM 55 C VAL A 7 -3.700 2.573 3.697 1.00 98.29
|
| 60 |
+
ATOM 56 O VAL A 7 -4.459 1.912 2.983 1.00 98.29
|
| 61 |
+
ATOM 57 CB VAL A 7 -3.803 1.564 6.013 1.00 98.29
|
| 62 |
+
ATOM 58 CG1 VAL A 7 -2.329 1.151 6.004 1.00 98.29
|
| 63 |
+
ATOM 59 CG2 VAL A 7 -4.206 1.784 7.476 1.00 98.29
|
| 64 |
+
ATOM 60 N VAL A 8 -2.568 3.100 3.242 1.00 98.17
|
| 65 |
+
ATOM 61 CA VAL A 8 -2.085 2.906 1.873 1.00 98.17
|
| 66 |
+
ATOM 62 C VAL A 8 -1.025 1.814 1.883 1.00 98.17
|
| 67 |
+
ATOM 63 O VAL A 8 0.051 2.001 2.439 1.00 98.17
|
| 68 |
+
ATOM 64 CB VAL A 8 -1.557 4.219 1.264 1.00 98.17
|
| 69 |
+
ATOM 65 CG1 VAL A 8 -1.382 4.052 -0.249 1.00 98.17
|
| 70 |
+
ATOM 66 CG2 VAL A 8 -2.527 5.388 1.488 1.00 98.17
|
| 71 |
+
ATOM 67 N VAL A 9 -1.319 0.672 1.260 1.00 97.43
|
| 72 |
+
ATOM 68 CA VAL A 9 -0.423 -0.493 1.198 1.00 97.43
|
| 73 |
+
ATOM 69 C VAL A 9 -0.056 -0.839 -0.241 1.00 97.43
|
| 74 |
+
ATOM 70 O VAL A 9 -0.736 -0.454 -1.189 1.00 97.43
|
| 75 |
+
ATOM 71 CB VAL A 9 -1.001 -1.724 1.919 1.00 97.43
|
| 76 |
+
ATOM 72 CG1 VAL A 9 -1.263 -1.449 3.401 1.00 97.43
|
| 77 |
+
ATOM 73 CG2 VAL A 9 -2.288 -2.253 1.280 1.00 97.43
|
| 78 |
+
ATOM 74 N GLY A 10 1.044 -1.566 -0.413 1.00 97.52
|
| 79 |
+
ATOM 75 CA GLY A 10 1.580 -1.937 -1.721 1.00 97.52
|
| 80 |
+
ATOM 76 C GLY A 10 3.103 -1.931 -1.734 1.00 97.52
|
| 81 |
+
ATOM 77 O GLY A 10 3.739 -1.379 -0.827 1.00 97.52
|
| 82 |
+
ATOM 78 N ALA A 11 3.683 -2.521 -2.778 1.00 96.21
|
| 83 |
+
ATOM 79 CA ALA A 11 5.127 -2.700 -2.911 1.00 96.21
|
| 84 |
+
ATOM 80 C ALA A 11 5.918 -1.372 -2.879 1.00 96.21
|
| 85 |
+
ATOM 81 O ALA A 11 5.368 -0.264 -2.969 1.00 96.21
|
| 86 |
+
ATOM 82 CB ALA A 11 5.389 -3.505 -4.192 1.00 96.21
|
| 87 |
+
ATOM 83 N ASP A 12 7.241 -1.468 -2.736 1.00 94.86
|
| 88 |
+
ATOM 84 CA ASP A 12 8.153 -0.330 -2.883 1.00 94.86
|
| 89 |
+
ATOM 85 C ASP A 12 7.988 0.368 -4.240 1.00 94.86
|
| 90 |
+
ATOM 86 O ASP A 12 7.707 -0.266 -5.255 1.00 94.86
|
| 91 |
+
ATOM 87 CB ASP A 12 9.601 -0.790 -2.701 1.00 94.86
|
| 92 |
+
ATOM 88 CG ASP A 12 10.205 -1.334 -3.981 1.00 94.86
|
| 93 |
+
ATOM 89 OD1 ASP A 12 9.803 -2.437 -4.406 1.00 94.86
|
| 94 |
+
ATOM 90 OD2 ASP A 12 11.081 -0.657 -4.558 1.00 94.86
|
| 95 |
+
ATOM 91 N GLY A 13 8.110 1.697 -4.268 1.00 94.74
|
| 96 |
+
ATOM 92 CA GLY A 13 8.124 2.473 -5.516 1.00 94.74
|
| 97 |
+
ATOM 93 C GLY A 13 6.813 2.546 -6.317 1.00 94.74
|
| 98 |
+
ATOM 94 O GLY A 13 6.799 3.171 -7.379 1.00 94.74
|
| 99 |
+
ATOM 95 N VAL A 14 5.693 1.976 -5.851 1.00 97.27
|
| 100 |
+
ATOM 96 CA VAL A 14 4.401 2.035 -6.579 1.00 97.27
|
| 101 |
+
ATOM 97 C VAL A 14 3.746 3.425 -6.564 1.00 97.27
|
| 102 |
+
ATOM 98 O VAL A 14 2.884 3.715 -7.391 1.00 97.27
|
| 103 |
+
ATOM 99 CB VAL A 14 3.399 0.970 -6.095 1.00 97.27
|
| 104 |
+
ATOM 100 CG1 VAL A 14 3.984 -0.437 -6.231 1.00 97.27
|
| 105 |
+
ATOM 101 CG2 VAL A 14 2.947 1.217 -4.653 1.00 97.27
|
| 106 |
+
ATOM 102 N GLY A 15 4.190 4.312 -5.666 1.00 97.16
|
| 107 |
+
ATOM 103 CA GLY A 15 3.721 5.699 -5.549 1.00 97.16
|
| 108 |
+
ATOM 104 C GLY A 15 2.663 5.940 -4.466 1.00 97.16
|
| 109 |
+
ATOM 105 O GLY A 15 1.819 6.809 -4.649 1.00 97.16
|
| 110 |
+
ATOM 106 N LYS A 16 2.707 5.192 -3.353 1.00 97.61
|
| 111 |
+
ATOM 107 CA LYS A 16 1.819 5.372 -2.185 1.00 97.61
|
| 112 |
+
ATOM 108 C LYS A 16 1.918 6.788 -1.610 1.00 97.61
|
| 113 |
+
ATOM 109 O LYS A 16 0.941 7.527 -1.627 1.00 97.61
|
| 114 |
+
ATOM 110 CB LYS A 16 2.155 4.346 -1.093 1.00 97.61
|
| 115 |
+
ATOM 111 CG LYS A 16 1.653 2.940 -1.445 1.00 97.61
|
| 116 |
+
ATOM 112 CD LYS A 16 2.593 1.853 -0.927 1.00 97.61
|
| 117 |
+
ATOM 113 CE LYS A 16 2.539 1.668 0.586 1.00 97.61
|
| 118 |
+
ATOM 114 NZ LYS A 16 3.572 0.727 1.068 1.00 97.61
|
| 119 |
+
ATOM 115 N SER A 17 3.134 7.198 -1.271 1.00 96.61
|
| 120 |
+
ATOM 116 CA SER A 17 3.468 8.531 -0.763 1.00 96.61
|
| 121 |
+
ATOM 117 C SER A 17 3.124 9.620 -1.763 1.00 96.61
|
| 122 |
+
ATOM 118 O SER A 17 2.509 10.613 -1.402 1.00 96.61
|
| 123 |
+
ATOM 119 CB SER A 17 4.962 8.587 -0.427 1.00 96.61
|
| 124 |
+
ATOM 120 OG SER A 17 5.336 7.322 0.063 1.00 96.61
|
| 125 |
+
ATOM 121 N ALA A 18 3.413 9.401 -3.049 1.00 97.02
|
| 126 |
+
ATOM 122 CA ALA A 18 3.056 10.346 -4.103 1.00 97.02
|
| 127 |
+
ATOM 123 C ALA A 18 1.533 10.552 -4.206 1.00 97.02
|
| 128 |
+
ATOM 124 O ALA A 18 1.086 11.682 -4.368 1.00 97.02
|
| 129 |
+
ATOM 125 CB ALA A 18 3.660 9.865 -5.427 1.00 97.02
|
| 130 |
+
ATOM 126 N LEU A 19 0.723 9.492 -4.082 1.00 98.06
|
| 131 |
+
ATOM 127 CA LEU A 19 -0.739 9.611 -4.038 1.00 98.06
|
| 132 |
+
ATOM 128 C LEU A 19 -1.209 10.357 -2.785 1.00 98.06
|
| 133 |
+
ATOM 129 O LEU A 19 -2.051 11.249 -2.891 1.00 98.06
|
| 134 |
+
ATOM 130 CB LEU A 19 -1.386 8.213 -4.093 1.00 98.06
|
| 135 |
+
ATOM 131 CG LEU A 19 -1.335 7.527 -5.465 1.00 98.06
|
| 136 |
+
ATOM 132 CD1 LEU A 19 -1.783 6.072 -5.326 1.00 98.06
|
| 137 |
+
ATOM 133 CD2 LEU A 19 -2.253 8.221 -6.471 1.00 98.06
|
| 138 |
+
ATOM 134 N THR A 20 -0.656 10.017 -1.619 1.00 97.18
|
| 139 |
+
ATOM 135 CA THR A 20 -0.998 10.657 -0.343 1.00 97.18
|
| 140 |
+
ATOM 136 C THR A 20 -0.639 12.142 -0.357 1.00 97.18
|
| 141 |
+
ATOM 137 O THR A 20 -1.503 12.981 -0.128 1.00 97.18
|
| 142 |
+
ATOM 138 CB THR A 20 -0.316 9.934 0.829 1.00 97.18
|
| 143 |
+
ATOM 139 OG1 THR A 20 -0.717 8.584 0.832 1.00 97.18
|
| 144 |
+
ATOM 140 CG2 THR A 20 -0.722 10.519 2.178 1.00 97.18
|
| 145 |
+
ATOM 141 N ILE A 21 0.592 12.501 -0.716 1.00 95.69
|
| 146 |
+
ATOM 142 CA ILE A 21 1.052 13.893 -0.814 1.00 95.69
|
| 147 |
+
ATOM 143 C ILE A 21 0.240 14.659 -1.862 1.00 95.69
|
| 148 |
+
ATOM 144 O ILE A 21 -0.193 15.778 -1.587 1.00 95.69
|
| 149 |
+
ATOM 145 CB ILE A 21 2.567 13.939 -1.113 1.00 95.69
|
| 150 |
+
ATOM 146 CG1 ILE A 21 3.364 13.380 0.091 1.00 95.69
|
| 151 |
+
ATOM 147 CG2 ILE A 21 3.034 15.375 -1.423 1.00 95.69
|
| 152 |
+
ATOM 148 CD1 ILE A 21 4.830 13.072 -0.236 1.00 95.69
|
| 153 |
+
ATOM 149 N GLN A 22 -0.055 14.055 -3.018 1.00 97.24
|
| 154 |
+
ATOM 150 CA GLN A 22 -0.873 14.702 -4.045 1.00 97.24
|
| 155 |
+
ATOM 151 C GLN A 22 -2.293 14.990 -3.539 1.00 97.24
|
| 156 |
+
ATOM 152 O GLN A 22 -2.836 16.061 -3.805 1.00 97.24
|
| 157 |
+
ATOM 153 CB GLN A 22 -0.868 13.844 -5.322 1.00 97.24
|
| 158 |
+
ATOM 154 CG GLN A 22 -1.582 14.486 -6.517 1.00 97.24
|
| 159 |
+
ATOM 155 CD GLN A 22 -0.876 15.736 -7.031 1.00 97.24
|
| 160 |
+
ATOM 156 OE1 GLN A 22 -0.889 16.782 -6.418 1.00 97.24
|
| 161 |
+
ATOM 157 NE2 GLN A 22 -0.281 15.716 -8.197 1.00 97.24
|
| 162 |
+
ATOM 158 N LEU A 23 -2.888 14.087 -2.751 1.00 97.18
|
| 163 |
+
ATOM 159 CA LEU A 23 -4.159 14.359 -2.085 1.00 97.18
|
| 164 |
+
ATOM 160 C LEU A 23 -4.022 15.483 -1.051 1.00 97.18
|
| 165 |
+
ATOM 161 O LEU A 23 -4.876 16.366 -1.001 1.00 97.18
|
| 166 |
+
ATOM 162 CB LEU A 23 -4.688 13.075 -1.420 1.00 97.18
|
| 167 |
+
ATOM 163 CG LEU A 23 -6.006 13.292 -0.652 1.00 97.18
|
| 168 |
+
ATOM 164 CD1 LEU A 23 -7.184 13.548 -1.591 1.00 97.18
|
| 169 |
+
ATOM 165 CD2 LEU A 23 -6.317 12.075 0.197 1.00 97.18
|
| 170 |
+
ATOM 166 N ILE A 24 -3.010 15.438 -0.185 1.00 95.55
|
| 171 |
+
ATOM 167 CA ILE A 24 -2.899 16.339 0.971 1.00 95.55
|
| 172 |
+
ATOM 168 C ILE A 24 -2.499 17.755 0.550 1.00 95.55
|
| 173 |
+
ATOM 169 O ILE A 24 -3.127 18.721 0.983 1.00 95.55
|
| 174 |
+
ATOM 170 CB ILE A 24 -1.952 15.743 2.036 1.00 95.55
|
| 175 |
+
ATOM 171 CG1 ILE A 24 -2.465 14.394 2.599 1.00 95.55
|
| 176 |
+
ATOM 172 CG2 ILE A 24 -1.717 16.727 3.199 1.00 95.55
|
| 177 |
+
ATOM 173 CD1 ILE A 24 -3.751 14.442 3.423 1.00 95.55
|
| 178 |
+
ATOM 174 N GLN A 25 -1.489 17.870 -0.308 1.00 93.13
|
| 179 |
+
ATOM 175 CA GLN A 25 -0.780 19.113 -0.611 1.00 93.13
|
| 180 |
+
ATOM 176 C GLN A 25 -1.019 19.626 -2.038 1.00 93.13
|
| 181 |
+
ATOM 177 O GLN A 25 -0.592 20.733 -2.350 1.00 93.13
|
| 182 |
+
ATOM 178 CB GLN A 25 0.723 18.907 -0.355 1.00 93.13
|
| 183 |
+
ATOM 179 CG GLN A 25 1.028 18.303 1.029 1.00 93.13
|
| 184 |
+
ATOM 180 CD GLN A 25 0.939 19.322 2.160 1.00 93.13
|
| 185 |
+
ATOM 181 OE1 GLN A 25 1.896 19.630 2.843 1.00 93.13
|
| 186 |
+
ATOM 182 NE2 GLN A 25 -0.225 19.880 2.413 1.00 93.13
|
| 187 |
+
ATOM 183 N ASN A 26 -1.704 18.865 -2.905 1.00 93.56
|
| 188 |
+
ATOM 184 CA ASN A 26 -1.803 19.159 -4.344 1.00 93.56
|
| 189 |
+
ATOM 185 C ASN A 26 -0.422 19.350 -4.996 1.00 93.56
|
| 190 |
+
ATOM 186 O ASN A 26 -0.233 20.231 -5.839 1.00 93.56
|
| 191 |
+
ATOM 187 CB ASN A 26 -2.750 20.342 -4.606 1.00 93.56
|
| 192 |
+
ATOM 188 CG ASN A 26 -4.128 20.149 -4.024 1.00 93.56
|
| 193 |
+
ATOM 189 OD1 ASN A 26 -4.722 21.026 -3.426 1.00 93.56
|
| 194 |
+
ATOM 190 ND2 ASN A 26 -4.672 18.960 -4.129 1.00 93.56
|
| 195 |
+
ATOM 191 N HIS A 27 0.548 18.546 -4.560 1.00 91.49
|
| 196 |
+
ATOM 192 CA HIS A 27 1.921 18.590 -5.025 1.00 91.49
|
| 197 |
+
ATOM 193 C HIS A 27 2.402 17.196 -5.440 1.00 91.49
|
| 198 |
+
ATOM 194 O HIS A 27 2.034 16.191 -4.833 1.00 91.49
|
| 199 |
+
ATOM 195 CB HIS A 27 2.790 19.212 -3.928 1.00 91.49
|
| 200 |
+
ATOM 196 CG HIS A 27 4.194 19.473 -4.395 1.00 91.49
|
| 201 |
+
ATOM 197 ND1 HIS A 27 4.558 20.247 -5.475 1.00 91.49
|
| 202 |
+
ATOM 198 CD2 HIS A 27 5.341 18.959 -3.856 1.00 91.49
|
| 203 |
+
ATOM 199 CE1 HIS A 27 5.895 20.190 -5.590 1.00 91.49
|
| 204 |
+
ATOM 200 NE2 HIS A 27 6.412 19.423 -4.623 1.00 91.49
|
| 205 |
+
ATOM 201 N PHE A 28 3.243 17.145 -6.473 1.00 90.66
|
| 206 |
+
ATOM 202 CA PHE A 28 3.912 15.929 -6.920 1.00 90.66
|
| 207 |
+
ATOM 203 C PHE A 28 5.423 16.112 -6.787 1.00 90.66
|
| 208 |
+
ATOM 204 O PHE A 28 5.993 16.998 -7.424 1.00 90.66
|
| 209 |
+
ATOM 205 CB PHE A 28 3.499 15.595 -8.358 1.00 90.66
|
| 210 |
+
ATOM 206 CG PHE A 28 4.204 14.371 -8.906 1.00 90.66
|
| 211 |
+
ATOM 207 CD1 PHE A 28 5.299 14.514 -9.779 1.00 90.66
|
| 212 |
+
ATOM 208 CD2 PHE A 28 3.799 13.087 -8.495 1.00 90.66
|
| 213 |
+
ATOM 209 CE1 PHE A 28 5.982 13.378 -10.245 1.00 90.66
|
| 214 |
+
ATOM 210 CE2 PHE A 28 4.478 11.950 -8.969 1.00 90.66
|
| 215 |
+
ATOM 211 CZ PHE A 28 5.572 12.097 -9.841 1.00 90.66
|
| 216 |
+
ATOM 212 N VAL A 29 6.044 15.261 -5.971 1.00 82.26
|
| 217 |
+
ATOM 213 CA VAL A 29 7.497 15.177 -5.803 1.00 82.26
|
| 218 |
+
ATOM 214 C VAL A 29 8.004 14.060 -6.713 1.00 82.26
|
| 219 |
+
ATOM 215 O VAL A 29 7.539 12.926 -6.607 1.00 82.26
|
| 220 |
+
ATOM 216 CB VAL A 29 7.874 14.925 -4.328 1.00 82.26
|
| 221 |
+
ATOM 217 CG1 VAL A 29 9.394 14.926 -4.137 1.00 82.26
|
| 222 |
+
ATOM 218 CG2 VAL A 29 7.280 15.998 -3.403 1.00 82.26
|
| 223 |
+
ATOM 219 N ASP A 30 8.909 14.392 -7.634 1.00 81.97
|
| 224 |
+
ATOM 220 CA ASP A 30 9.453 13.438 -8.617 1.00 81.97
|
| 225 |
+
ATOM 221 C ASP A 30 10.577 12.566 -8.026 1.00 81.97
|
| 226 |
+
ATOM 222 O ASP A 30 10.848 11.463 -8.496 1.00 81.97
|
| 227 |
+
ATOM 223 CB ASP A 30 9.928 14.230 -9.852 1.00 81.97
|
| 228 |
+
ATOM 224 CG ASP A 30 9.984 13.423 -11.160 1.00 81.97
|
| 229 |
+
ATOM 225 OD1 ASP A 30 9.253 12.411 -11.288 1.00 81.97
|
| 230 |
+
ATOM 226 OD2 ASP A 30 10.630 13.913 -12.114 1.00 81.97
|
| 231 |
+
ATOM 227 N GLU A 31 11.219 13.043 -6.957 1.00 85.88
|
| 232 |
+
ATOM 228 CA GLU A 31 12.271 12.317 -6.249 1.00 85.88
|
| 233 |
+
ATOM 229 C GLU A 31 11.693 11.171 -5.410 1.00 85.88
|
| 234 |
+
ATOM 230 O GLU A 31 10.680 11.317 -4.722 1.00 85.88
|
| 235 |
+
ATOM 231 CB GLU A 31 13.106 13.277 -5.389 1.00 85.88
|
| 236 |
+
ATOM 232 CG GLU A 31 13.895 14.268 -6.263 1.00 85.88
|
| 237 |
+
ATOM 233 CD GLU A 31 14.731 15.277 -5.461 1.00 85.88
|
| 238 |
+
ATOM 234 OE1 GLU A 31 15.277 16.198 -6.111 1.00 85.88
|
| 239 |
+
ATOM 235 OE2 GLU A 31 14.824 15.136 -4.222 1.00 85.88
|
| 240 |
+
ATOM 236 N TYR A 32 12.352 10.011 -5.466 1.00 79.81
|
| 241 |
+
ATOM 237 CA TYR A 32 11.962 8.841 -4.689 1.00 79.81
|
| 242 |
+
ATOM 238 C TYR A 32 12.799 8.730 -3.415 1.00 79.81
|
| 243 |
+
ATOM 239 O TYR A 32 13.950 8.297 -3.468 1.00 79.81
|
| 244 |
+
ATOM 240 CB TYR A 32 12.047 7.571 -5.550 1.00 79.81
|
| 245 |
+
ATOM 241 CG TYR A 32 11.628 6.312 -4.806 1.00 79.81
|
| 246 |
+
ATOM 242 CD1 TYR A 32 12.547 5.265 -4.592 1.00 79.81
|
| 247 |
+
ATOM 243 CD2 TYR A 32 10.329 6.222 -4.271 1.00 79.81
|
| 248 |
+
ATOM 244 CE1 TYR A 32 12.163 4.124 -3.861 1.00 79.81
|
| 249 |
+
ATOM 245 CE2 TYR A 32 9.958 5.111 -3.493 1.00 79.81
|
| 250 |
+
ATOM 246 CZ TYR A 32 10.876 4.060 -3.287 1.00 79.81
|
| 251 |
+
ATOM 247 OH TYR A 32 10.519 3.014 -2.496 1.00 79.81
|
| 252 |
+
ATOM 248 N ASP A 33 12.179 9.053 -2.281 1.00 84.91
|
| 253 |
+
ATOM 249 CA ASP A 33 12.678 8.721 -0.947 1.00 84.91
|
| 254 |
+
ATOM 250 C ASP A 33 11.824 7.579 -0.351 1.00 84.91
|
| 255 |
+
ATOM 251 O ASP A 33 10.601 7.728 -0.237 1.00 84.91
|
| 256 |
+
ATOM 252 CB ASP A 33 12.683 9.976 -0.060 1.00 84.91
|
| 257 |
+
ATOM 253 CG ASP A 33 13.448 9.766 1.253 1.00 84.91
|
| 258 |
+
ATOM 254 OD1 ASP A 33 14.064 8.686 1.410 1.00 84.91
|
| 259 |
+
ATOM 255 OD2 ASP A 33 13.442 10.708 2.074 1.00 84.91
|
| 260 |
+
ATOM 256 N PRO A 34 12.393 6.393 -0.052 1.00 86.47
|
| 261 |
+
ATOM 257 CA PRO A 34 11.644 5.291 0.541 1.00 86.47
|
| 262 |
+
ATOM 258 C PRO A 34 11.029 5.642 1.905 1.00 86.47
|
| 263 |
+
ATOM 259 O PRO A 34 11.718 5.762 2.912 1.00 86.47
|
| 264 |
+
ATOM 260 CB PRO A 34 12.632 4.120 0.649 1.00 86.47
|
| 265 |
+
ATOM 261 CG PRO A 34 13.681 4.433 -0.414 1.00 86.47
|
| 266 |
+
ATOM 262 CD PRO A 34 13.735 5.958 -0.407 1.00 86.47
|
| 267 |
+
ATOM 263 N THR A 35 9.700 5.693 1.962 1.00 84.27
|
| 268 |
+
ATOM 264 CA THR A 35 8.957 5.886 3.216 1.00 84.27
|
| 269 |
+
ATOM 265 C THR A 35 9.138 4.722 4.184 1.00 84.27
|
| 270 |
+
ATOM 266 O THR A 35 9.104 3.555 3.780 1.00 84.27
|
| 271 |
+
ATOM 267 CB THR A 35 7.465 6.067 2.928 1.00 84.27
|
| 272 |
+
ATOM 268 OG1 THR A 35 7.345 7.053 1.945 1.00 84.27
|
| 273 |
+
ATOM 269 CG2 THR A 35 6.637 6.513 4.130 1.00 84.27
|
| 274 |
+
ATOM 270 N ILE A 36 9.244 5.047 5.473 1.00 83.30
|
| 275 |
+
ATOM 271 CA ILE A 36 9.154 4.091 6.583 1.00 83.30
|
| 276 |
+
ATOM 272 C ILE A 36 7.698 4.011 7.059 1.00 83.30
|
| 277 |
+
ATOM 273 O ILE A 36 7.043 2.978 6.912 1.00 83.30
|
| 278 |
+
ATOM 274 CB ILE A 36 10.149 4.462 7.708 1.00 83.30
|
| 279 |
+
ATOM 275 CG1 ILE A 36 11.595 4.424 7.158 1.00 83.30
|
| 280 |
+
ATOM 276 CG2 ILE A 36 9.972 3.509 8.906 1.00 83.30
|
| 281 |
+
ATOM 277 CD1 ILE A 36 12.681 4.782 8.180 1.00 83.30
|
| 282 |
+
ATOM 278 N GLU A 37 7.178 5.117 7.586 1.00 87.32
|
| 283 |
+
ATOM 279 CA GLU A 37 5.781 5.303 7.978 1.00 87.32
|
| 284 |
+
ATOM 280 C GLU A 37 5.529 6.803 8.176 1.00 87.32
|
| 285 |
+
ATOM 281 O GLU A 37 6.302 7.448 8.881 1.00 87.32
|
| 286 |
+
ATOM 282 CB GLU A 37 5.497 4.534 9.285 1.00 87.32
|
| 287 |
+
ATOM 283 CG GLU A 37 4.021 4.600 9.693 1.00 87.32
|
| 288 |
+
ATOM 284 CD GLU A 37 3.736 3.771 10.956 1.00 87.32
|
| 289 |
+
ATOM 285 OE1 GLU A 37 3.577 4.373 12.044 1.00 87.32
|
| 290 |
+
ATOM 286 OE2 GLU A 37 3.619 2.527 10.831 1.00 87.32
|
| 291 |
+
ATOM 287 N ASP A 38 4.455 7.340 7.596 1.00 93.08
|
| 292 |
+
ATOM 288 CA ASP A 38 4.028 8.729 7.790 1.00 93.08
|
| 293 |
+
ATOM 289 C ASP A 38 2.506 8.816 7.963 1.00 93.08
|
| 294 |
+
ATOM 290 O ASP A 38 1.738 8.127 7.287 1.00 93.08
|
| 295 |
+
ATOM 291 CB ASP A 38 4.482 9.619 6.623 1.00 93.08
|
| 296 |
+
ATOM 292 CG ASP A 38 5.937 10.071 6.748 1.00 93.08
|
| 297 |
+
ATOM 293 OD1 ASP A 38 6.239 10.718 7.777 1.00 93.08
|
| 298 |
+
ATOM 294 OD2 ASP A 38 6.705 9.836 5.787 1.00 93.08
|
| 299 |
+
ATOM 295 N SER A 39 2.050 9.692 8.862 1.00 94.09
|
| 300 |
+
ATOM 296 CA SER A 39 0.626 9.946 9.104 1.00 94.09
|
| 301 |
+
ATOM 297 C SER A 39 0.240 11.348 8.643 1.00 94.09
|
| 302 |
+
ATOM 298 O SER A 39 0.871 12.343 9.004 1.00 94.09
|
| 303 |
+
ATOM 299 CB SER A 39 0.269 9.712 10.574 1.00 94.09
|
| 304 |
+
ATOM 300 OG SER A 39 -1.075 10.074 10.862 1.00 94.09
|
| 305 |
+
ATOM 301 N TYR A 40 -0.837 11.429 7.866 1.00 96.44
|
| 306 |
+
ATOM 302 CA TYR A 40 -1.374 12.666 7.320 1.00 96.44
|
| 307 |
+
ATOM 303 C TYR A 40 -2.846 12.814 7.666 1.00 96.44
|
| 308 |
+
ATOM 304 O TYR A 40 -3.613 11.856 7.629 1.00 96.44
|
| 309 |
+
ATOM 305 CB TYR A 40 -1.205 12.704 5.802 1.00 96.44
|
| 310 |
+
ATOM 306 CG TYR A 40 0.227 12.610 5.331 1.00 96.44
|
| 311 |
+
ATOM 307 CD1 TYR A 40 0.998 13.778 5.165 1.00 96.44
|
| 312 |
+
ATOM 308 CD2 TYR A 40 0.791 11.346 5.074 1.00 96.44
|
| 313 |
+
ATOM 309 CE1 TYR A 40 2.336 13.681 4.734 1.00 96.44
|
| 314 |
+
ATOM 310 CE2 TYR A 40 2.112 11.251 4.607 1.00 96.44
|
| 315 |
+
ATOM 311 CZ TYR A 40 2.891 12.414 4.449 1.00 96.44
|
| 316 |
+
ATOM 312 OH TYR A 40 4.170 12.296 4.016 1.00 96.44
|
| 317 |
+
ATOM 313 N ARG A 41 -3.277 14.050 7.924 1.00 96.98
|
| 318 |
+
ATOM 314 CA ARG A 41 -4.678 14.359 8.212 1.00 96.98
|
| 319 |
+
ATOM 315 C ARG A 41 -5.206 15.440 7.286 1.00 96.98
|
| 320 |
+
ATOM 316 O ARG A 41 -4.554 16.464 7.097 1.00 96.98
|
| 321 |
+
ATOM 317 CB ARG A 41 -4.843 14.703 9.695 1.00 96.98
|
| 322 |
+
ATOM 318 CG ARG A 41 -4.662 13.450 10.563 1.00 96.98
|
| 323 |
+
ATOM 319 CD ARG A 41 -4.822 13.789 12.041 1.00 96.98
|
| 324 |
+
ATOM 320 NE ARG A 41 -4.826 12.558 12.843 1.00 96.98
|
| 325 |
+
ATOM 321 CZ ARG A 41 -5.298 12.419 14.061 1.00 96.98
|
| 326 |
+
ATOM 322 NH1 ARG A 41 -5.651 13.444 14.795 1.00 96.98
|
| 327 |
+
ATOM 323 NH2 ARG A 41 -5.457 11.229 14.544 1.00 96.98
|
| 328 |
+
ATOM 324 N LYS A 42 -6.404 15.236 6.732 1.00 96.85
|
| 329 |
+
ATOM 325 CA LYS A 42 -7.084 16.234 5.889 1.00 96.85
|
| 330 |
+
ATOM 326 C LYS A 42 -8.588 16.216 6.105 1.00 96.85
|
| 331 |
+
ATOM 327 O LYS A 42 -9.232 15.178 5.975 1.00 96.85
|
| 332 |
+
ATOM 328 CB LYS A 42 -6.715 16.008 4.415 1.00 96.85
|
| 333 |
+
ATOM 329 CG LYS A 42 -7.351 17.029 3.459 1.00 96.85
|
| 334 |
+
ATOM 330 CD LYS A 42 -6.672 17.013 2.084 1.00 96.85
|
| 335 |
+
ATOM 331 CE LYS A 42 -6.835 18.372 1.392 1.00 96.85
|
| 336 |
+
ATOM 332 NZ LYS A 42 -5.937 18.519 0.220 1.00 96.85
|
| 337 |
+
ATOM 333 N GLN A 43 -9.149 17.386 6.395 1.00 97.91
|
| 338 |
+
ATOM 334 CA GLN A 43 -10.592 17.591 6.398 1.00 97.91
|
| 339 |
+
ATOM 335 C GLN A 43 -11.088 17.763 4.958 1.00 97.91
|
| 340 |
+
ATOM 336 O GLN A 43 -10.540 18.557 4.194 1.00 97.91
|
| 341 |
+
ATOM 337 CB GLN A 43 -10.937 18.784 7.296 1.00 97.91
|
| 342 |
+
ATOM 338 CG GLN A 43 -12.453 19.000 7.417 1.00 97.91
|
| 343 |
+
ATOM 339 CD GLN A 43 -12.799 20.143 8.366 1.00 97.91
|
| 344 |
+
ATOM 340 OE1 GLN A 43 -12.095 20.460 9.307 1.00 97.91
|
| 345 |
+
ATOM 341 NE2 GLN A 43 -13.902 20.825 8.153 1.00 97.91
|
| 346 |
+
ATOM 342 N VAL A 44 -12.123 17.014 4.588 1.00 97.59
|
| 347 |
+
ATOM 343 CA VAL A 44 -12.724 17.008 3.245 1.00 97.59
|
| 348 |
+
ATOM 344 C VAL A 44 -14.246 16.929 3.348 1.00 97.59
|
| 349 |
+
ATOM 345 O VAL A 44 -14.788 16.616 4.408 1.00 97.59
|
| 350 |
+
ATOM 346 CB VAL A 44 -12.181 15.846 2.384 1.00 97.59
|
| 351 |
+
ATOM 347 CG1 VAL A 44 -10.675 15.962 2.120 1.00 97.59
|
| 352 |
+
ATOM 348 CG2 VAL A 44 -12.443 14.483 3.027 1.00 97.59
|
| 353 |
+
ATOM 349 N VAL A 45 -14.939 17.192 2.240 1.00 97.98
|
| 354 |
+
ATOM 350 CA VAL A 45 -16.382 16.958 2.106 1.00 97.98
|
| 355 |
+
ATOM 351 C VAL A 45 -16.584 15.845 1.085 1.00 97.98
|
| 356 |
+
ATOM 352 O VAL A 45 -16.247 16.020 -0.084 1.00 97.98
|
| 357 |
+
ATOM 353 CB VAL A 45 -17.131 18.244 1.708 1.00 97.98
|
| 358 |
+
ATOM 354 CG1 VAL A 45 -18.639 17.989 1.591 1.00 97.98
|
| 359 |
+
ATOM 355 CG2 VAL A 45 -16.920 19.352 2.749 1.00 97.98
|
| 360 |
+
ATOM 356 N ILE A 46 -17.124 14.704 1.518 1.00 97.85
|
| 361 |
+
ATOM 357 CA ILE A 46 -17.388 13.546 0.652 1.00 97.85
|
| 362 |
+
ATOM 358 C ILE A 46 -18.881 13.253 0.688 1.00 97.85
|
| 363 |
+
ATOM 359 O ILE A 46 -19.416 12.854 1.726 1.00 97.85
|
| 364 |
+
ATOM 360 CB ILE A 46 -16.555 12.305 1.052 1.00 97.85
|
| 365 |
+
ATOM 361 CG1 ILE A 46 -15.045 12.623 1.036 1.00 97.85
|
| 366 |
+
ATOM 362 CG2 ILE A 46 -16.850 11.140 0.082 1.00 97.85
|
| 367 |
+
ATOM 363 CD1 ILE A 46 -14.172 11.495 1.598 1.00 97.85
|
| 368 |
+
ATOM 364 N ASP A 47 -19.537 13.415 -0.461 1.00 97.44
|
| 369 |
+
ATOM 365 CA ASP A 47 -20.984 13.234 -0.639 1.00 97.44
|
| 370 |
+
ATOM 366 C ASP A 47 -21.814 14.137 0.299 1.00 97.44
|
| 371 |
+
ATOM 367 O ASP A 47 -22.812 13.719 0.878 1.00 97.44
|
| 372 |
+
ATOM 368 CB ASP A 47 -21.362 11.740 -0.581 1.00 97.44
|
| 373 |
+
ATOM 369 CG ASP A 47 -20.458 10.839 -1.432 1.00 97.44
|
| 374 |
+
ATOM 370 OD1 ASP A 47 -20.051 11.234 -2.549 1.00 97.44
|
| 375 |
+
ATOM 371 OD2 ASP A 47 -20.096 9.740 -0.954 1.00 97.44
|
| 376 |
+
ATOM 372 N GLY A 48 -21.368 15.386 0.491 1.00 96.98
|
| 377 |
+
ATOM 373 CA GLY A 48 -22.029 16.383 1.346 1.00 96.98
|
| 378 |
+
ATOM 374 C GLY A 48 -21.733 16.262 2.847 1.00 96.98
|
| 379 |
+
ATOM 375 O GLY A 48 -22.097 17.157 3.605 1.00 96.98
|
| 380 |
+
ATOM 376 N GLU A 49 -21.039 15.211 3.291 1.00 96.84
|
| 381 |
+
ATOM 377 CA GLU A 49 -20.628 15.041 4.689 1.00 96.84
|
| 382 |
+
ATOM 378 C GLU A 49 -19.180 15.508 4.887 1.00 96.84
|
| 383 |
+
ATOM 379 O GLU A 49 -18.255 15.010 4.240 1.00 96.84
|
| 384 |
+
ATOM 380 CB GLU A 49 -20.806 13.575 5.115 1.00 96.84
|
| 385 |
+
ATOM 381 CG GLU A 49 -20.539 13.318 6.616 1.00 96.84
|
| 386 |
+
ATOM 382 CD GLU A 49 -20.360 11.828 6.982 1.00 96.84
|
| 387 |
+
ATOM 383 OE1 GLU A 49 -19.852 11.538 8.092 1.00 96.84
|
| 388 |
+
ATOM 384 OE2 GLU A 49 -20.591 10.953 6.116 1.00 96.84
|
| 389 |
+
ATOM 385 N THR A 50 -18.975 16.438 5.822 1.00 97.86
|
| 390 |
+
ATOM 386 CA THR A 50 -17.638 16.833 6.278 1.00 97.86
|
| 391 |
+
ATOM 387 C THR A 50 -17.029 15.735 7.148 1.00 97.86
|
| 392 |
+
ATOM 388 O THR A 50 -17.595 15.369 8.183 1.00 97.86
|
| 393 |
+
ATOM 389 CB THR A 50 -17.684 18.148 7.066 1.00 97.86
|
| 394 |
+
ATOM 390 OG1 THR A 50 -18.300 19.152 6.296 1.00 97.86
|
| 395 |
+
ATOM 391 CG2 THR A 50 -16.292 18.667 7.413 1.00 97.86
|
| 396 |
+
ATOM 392 N CYS A 51 -15.844 15.257 6.776 1.00 98.12
|
| 397 |
+
ATOM 393 CA CYS A 51 -15.114 14.224 7.506 1.00 98.12
|
| 398 |
+
ATOM 394 C CYS A 51 -13.606 14.498 7.562 1.00 98.12
|
| 399 |
+
ATOM 395 O CYS A 51 -13.062 15.253 6.754 1.00 98.12
|
| 400 |
+
ATOM 396 CB CYS A 51 -15.431 12.852 6.897 1.00 98.12
|
| 401 |
+
ATOM 397 SG CYS A 51 -14.893 12.736 5.167 1.00 98.12
|
| 402 |
+
ATOM 398 N LEU A 52 -12.929 13.852 8.511 1.00 98.31
|
| 403 |
+
ATOM 399 CA LEU A 52 -11.474 13.841 8.630 1.00 98.31
|
| 404 |
+
ATOM 400 C LEU A 52 -10.929 12.531 8.066 1.00 98.31
|
| 405 |
+
ATOM 401 O LEU A 52 -11.314 11.454 8.520 1.00 98.31
|
| 406 |
+
ATOM 402 CB LEU A 52 -11.093 14.028 10.108 1.00 98.31
|
| 407 |
+
ATOM 403 CG LEU A 52 -9.583 14.156 10.376 1.00 98.31
|
| 408 |
+
ATOM 404 CD1 LEU A 52 -9.025 15.443 9.763 1.00 98.31
|
| 409 |
+
ATOM 405 CD2 LEU A 52 -9.327 14.202 11.882 1.00 98.31
|
| 410 |
+
ATOM 406 N LEU A 53 -10.028 12.624 7.095 1.00 98.40
|
| 411 |
+
ATOM 407 CA LEU A 53 -9.218 11.489 6.668 1.00 98.40
|
| 412 |
+
ATOM 408 C LEU A 53 -7.969 11.446 7.547 1.00 98.40
|
| 413 |
+
ATOM 409 O LEU A 53 -7.250 12.444 7.598 1.00 98.40
|
| 414 |
+
ATOM 410 CB LEU A 53 -8.859 11.610 5.175 1.00 98.40
|
| 415 |
+
ATOM 411 CG LEU A 53 -10.048 11.882 4.238 1.00 98.40
|
| 416 |
+
ATOM 412 CD1 LEU A 53 -9.577 11.846 2.783 1.00 98.40
|
| 417 |
+
ATOM 413 CD2 LEU A 53 -11.189 10.880 4.410 1.00 98.40
|
| 418 |
+
ATOM 414 N ASP A 54 -7.731 10.322 8.218 1.00 98.11
|
| 419 |
+
ATOM 415 CA ASP A 54 -6.475 10.003 8.904 1.00 98.11
|
| 420 |
+
ATOM 416 C ASP A 54 -5.766 8.924 8.081 1.00 98.11
|
| 421 |
+
ATOM 417 O ASP A 54 -6.195 7.771 8.051 1.00 98.11
|
| 422 |
+
ATOM 418 CB ASP A 54 -6.750 9.575 10.360 1.00 98.11
|
| 423 |
+
ATOM 419 CG ASP A 54 -5.476 9.510 11.219 1.00 98.11
|
| 424 |
+
ATOM 420 OD1 ASP A 54 -4.373 9.698 10.670 1.00 98.11
|
| 425 |
+
ATOM 421 OD2 ASP A 54 -5.591 9.415 12.465 1.00 98.11
|
| 426 |
+
ATOM 422 N ILE A 55 -4.769 9.333 7.303 1.00 98.26
|
| 427 |
+
ATOM 423 CA ILE A 55 -4.118 8.511 6.285 1.00 98.26
|
| 428 |
+
ATOM 424 C ILE A 55 -2.758 8.084 6.802 1.00 98.26
|
| 429 |
+
ATOM 425 O ILE A 55 -1.907 8.923 7.087 1.00 98.26
|
| 430 |
+
ATOM 426 CB ILE A 55 -3.992 9.249 4.936 1.00 98.26
|
| 431 |
+
ATOM 427 CG1 ILE A 55 -5.385 9.690 4.436 1.00 98.26
|
| 432 |
+
ATOM 428 CG2 ILE A 55 -3.304 8.331 3.902 1.00 98.26
|
| 433 |
+
ATOM 429 CD1 ILE A 55 -5.339 10.599 3.209 1.00 98.26
|
| 434 |
+
ATOM 430 N LEU A 56 -2.545 6.777 6.846 1.00 97.34
|
| 435 |
+
ATOM 431 CA LEU A 56 -1.257 6.177 7.132 1.00 97.34
|
| 436 |
+
ATOM 432 C LEU A 56 -0.604 5.715 5.826 1.00 97.34
|
| 437 |
+
ATOM 433 O LEU A 56 -1.097 4.794 5.164 1.00 97.34
|
| 438 |
+
ATOM 434 CB LEU A 56 -1.500 5.051 8.135 1.00 97.34
|
| 439 |
+
ATOM 435 CG LEU A 56 -0.214 4.459 8.721 1.00 97.34
|
| 440 |
+
ATOM 436 CD1 LEU A 56 0.594 5.483 9.513 1.00 97.34
|
| 441 |
+
ATOM 437 CD2 LEU A 56 -0.632 3.365 9.690 1.00 97.34
|
| 442 |
+
ATOM 438 N ASP A 57 0.489 6.373 5.455 1.00 95.31
|
| 443 |
+
ATOM 439 CA ASP A 57 1.378 5.967 4.371 1.00 95.31
|
| 444 |
+
ATOM 440 C ASP A 57 2.455 5.031 4.923 1.00 95.31
|
| 445 |
+
ATOM 441 O ASP A 57 3.105 5.337 5.921 1.00 95.31
|
| 446 |
+
ATOM 442 CB ASP A 57 1.997 7.204 3.708 1.00 95.31
|
| 447 |
+
ATOM 443 CG ASP A 57 2.860 6.836 2.496 1.00 95.31
|
| 448 |
+
ATOM 444 OD1 ASP A 57 2.517 5.858 1.788 1.00 95.31
|
| 449 |
+
ATOM 445 OD2 ASP A 57 3.813 7.580 2.197 1.00 95.31
|
| 450 |
+
ATOM 446 N THR A 58 2.626 3.864 4.305 1.00 94.05
|
| 451 |
+
ATOM 447 CA THR A 58 3.475 2.797 4.850 1.00 94.05
|
| 452 |
+
ATOM 448 C THR A 58 4.695 2.534 3.977 1.00 94.05
|
| 453 |
+
ATOM 449 O THR A 58 4.661 2.691 2.752 1.00 94.05
|
| 454 |
+
ATOM 450 CB THR A 58 2.693 1.487 5.082 1.00 94.05
|
| 455 |
+
ATOM 451 OG1 THR A 58 2.479 0.764 3.883 1.00 94.05
|
| 456 |
+
ATOM 452 CG2 THR A 58 1.347 1.690 5.782 1.00 94.05
|
| 457 |
+
ATOM 453 N ALA A 59 5.745 1.962 4.564 1.00 90.74
|
| 458 |
+
ATOM 454 CA ALA A 59 6.806 1.331 3.792 1.00 90.74
|
| 459 |
+
ATOM 455 C ALA A 59 6.252 0.271 2.830 1.00 90.74
|
| 460 |
+
ATOM 456 O ALA A 59 5.321 -0.480 3.137 1.00 90.74
|
| 461 |
+
ATOM 457 CB ALA A 59 7.845 0.709 4.727 1.00 90.74
|
| 462 |
+
ATOM 458 N GLY A 60 6.847 0.211 1.637 1.00 82.99
|
| 463 |
+
ATOM 459 CA GLY A 60 6.596 -0.865 0.674 1.00 82.99
|
| 464 |
+
ATOM 460 C GLY A 60 7.613 -2.000 0.727 1.00 82.99
|
| 465 |
+
ATOM 461 O GLY A 60 7.391 -3.022 0.085 1.00 82.99
|
| 466 |
+
ATOM 462 N GLN A 61 8.706 -1.813 1.466 1.00 83.13
|
| 467 |
+
ATOM 463 CA GLN A 61 9.832 -2.737 1.459 1.00 83.13
|
| 468 |
+
ATOM 464 C GLN A 61 9.609 -3.922 2.407 1.00 83.13
|
| 469 |
+
ATOM 465 O GLN A 61 8.798 -3.857 3.342 1.00 83.13
|
| 470 |
+
ATOM 466 CB GLN A 61 11.150 -1.990 1.713 1.00 83.13
|
| 471 |
+
ATOM 467 CG GLN A 61 11.624 -0.986 0.655 1.00 83.13
|
| 472 |
+
ATOM 468 CD GLN A 61 13.048 -0.492 0.902 1.00 83.13
|
| 473 |
+
ATOM 469 OE1 GLN A 61 13.412 0.651 0.681 1.00 83.13
|
| 474 |
+
ATOM 470 NE2 GLN A 61 13.907 -1.316 1.454 1.00 83.13
|
| 475 |
+
ATOM 471 N GLU A 62 10.275 -5.040 2.130 1.00 80.94
|
| 476 |
+
ATOM 472 CA GLU A 62 10.112 -6.285 2.888 1.00 80.94
|
| 477 |
+
ATOM 473 C GLU A 62 10.748 -6.209 4.279 1.00 80.94
|
| 478 |
+
ATOM 474 O GLU A 62 10.249 -6.832 5.218 1.00 80.94
|
| 479 |
+
ATOM 475 CB GLU A 62 10.688 -7.471 2.104 1.00 80.94
|
| 480 |
+
ATOM 476 CG GLU A 62 9.866 -7.783 0.844 1.00 80.94
|
| 481 |
+
ATOM 477 CD GLU A 62 10.251 -9.123 0.196 1.00 80.94
|
| 482 |
+
ATOM 478 OE1 GLU A 62 9.370 -9.687 -0.492 1.00 80.94
|
| 483 |
+
ATOM 479 OE2 GLU A 62 11.398 -9.580 0.397 1.00 80.94
|
| 484 |
+
ATOM 480 N GLU A 63 11.776 -5.379 4.451 1.00 84.10
|
| 485 |
+
ATOM 481 CA GLU A 63 12.485 -5.153 5.714 1.00 84.10
|
| 486 |
+
ATOM 482 C GLU A 63 11.550 -4.610 6.807 1.00 84.10
|
| 487 |
+
ATOM 483 O GLU A 63 11.746 -4.879 7.989 1.00 84.10
|
| 488 |
+
ATOM 484 CB GLU A 63 13.663 -4.178 5.508 1.00 84.10
|
| 489 |
+
ATOM 485 CG GLU A 63 14.356 -3.689 6.800 1.00 84.10
|
| 490 |
+
ATOM 486 CD GLU A 63 15.492 -2.674 6.582 1.00 84.10
|
| 491 |
+
ATOM 487 OE1 GLU A 63 15.968 -2.555 5.436 1.00 84.10
|
| 492 |
+
ATOM 488 OE2 GLU A 63 15.870 -1.999 7.564 1.00 84.10
|
| 493 |
+
ATOM 489 N TYR A 64 10.478 -3.914 6.416 1.00 82.63
|
| 494 |
+
ATOM 490 CA TYR A 64 9.457 -3.380 7.324 1.00 82.63
|
| 495 |
+
ATOM 491 C TYR A 64 8.219 -4.288 7.443 1.00 82.63
|
| 496 |
+
ATOM 492 O TYR A 64 7.178 -3.878 7.964 1.00 82.63
|
| 497 |
+
ATOM 493 CB TYR A 64 9.121 -1.941 6.915 1.00 82.63
|
| 498 |
+
ATOM 494 CG TYR A 64 10.319 -1.010 6.966 1.00 82.63
|
| 499 |
+
ATOM 495 CD1 TYR A 64 10.756 -0.490 8.200 1.00 82.63
|
| 500 |
+
ATOM 496 CD2 TYR A 64 11.019 -0.693 5.786 1.00 82.63
|
| 501 |
+
ATOM 497 CE1 TYR A 64 11.887 0.349 8.255 1.00 82.63
|
| 502 |
+
ATOM 498 CE2 TYR A 64 12.145 0.148 5.836 1.00 82.63
|
| 503 |
+
ATOM 499 CZ TYR A 64 12.582 0.670 7.069 1.00 82.63
|
| 504 |
+
ATOM 500 OH TYR A 64 13.673 1.478 7.110 1.00 82.63
|
| 505 |
+
ATOM 501 N SER A 65 8.299 -5.540 6.976 1.00 81.12
|
| 506 |
+
ATOM 502 CA SER A 65 7.183 -6.501 7.001 1.00 81.12
|
| 507 |
+
ATOM 503 C SER A 65 6.650 -6.806 8.409 1.00 81.12
|
| 508 |
+
ATOM 504 O SER A 65 5.451 -7.040 8.570 1.00 81.12
|
| 509 |
+
ATOM 505 CB SER A 65 7.556 -7.810 6.304 1.00 81.12
|
| 510 |
+
ATOM 506 OG SER A 65 8.698 -8.376 6.902 1.00 81.12
|
| 511 |
+
ATOM 507 N ALA A 66 7.500 -6.734 9.437 1.00 83.68
|
| 512 |
+
ATOM 508 CA ALA A 66 7.113 -6.965 10.830 1.00 83.68
|
| 513 |
+
ATOM 509 C ALA A 66 6.133 -5.909 11.380 1.00 83.68
|
| 514 |
+
ATOM 510 O ALA A 66 5.347 -6.208 12.276 1.00 83.68
|
| 515 |
+
ATOM 511 CB ALA A 66 8.394 -7.027 11.670 1.00 83.68
|
| 516 |
+
ATOM 512 N MET A 67 6.134 -4.693 10.819 1.00 84.49
|
| 517 |
+
ATOM 513 CA MET A 67 5.262 -3.593 11.258 1.00 84.49
|
| 518 |
+
ATOM 514 C MET A 67 3.858 -3.667 10.643 1.00 84.49
|
| 519 |
+
ATOM 515 O MET A 67 2.941 -2.975 11.087 1.00 84.49
|
| 520 |
+
ATOM 516 CB MET A 67 5.926 -2.245 10.934 1.00 84.49
|
| 521 |
+
ATOM 517 CG MET A 67 7.277 -2.063 11.641 1.00 84.49
|
| 522 |
+
ATOM 518 SD MET A 67 7.225 -2.136 13.456 1.00 84.49
|
| 523 |
+
ATOM 519 CE MET A 67 6.420 -0.549 13.816 1.00 84.49
|
| 524 |
+
ATOM 520 N ARG A 68 3.660 -4.523 9.631 1.00 88.98
|
| 525 |
+
ATOM 521 CA ARG A 68 2.432 -4.538 8.825 1.00 88.98
|
| 526 |
+
ATOM 522 C ARG A 68 1.181 -4.858 9.626 1.00 88.98
|
| 527 |
+
ATOM 523 O ARG A 68 0.155 -4.199 9.476 1.00 88.98
|
| 528 |
+
ATOM 524 CB ARG A 68 2.585 -5.470 7.621 1.00 88.98
|
| 529 |
+
ATOM 525 CG ARG A 68 3.725 -5.075 6.671 1.00 88.98
|
| 530 |
+
ATOM 526 CD ARG A 68 3.661 -5.902 5.379 1.00 88.98
|
| 531 |
+
ATOM 527 NE ARG A 68 4.721 -5.532 4.417 1.00 88.98
|
| 532 |
+
ATOM 528 CZ ARG A 68 4.975 -6.144 3.271 1.00 88.98
|
| 533 |
+
ATOM 529 NH1 ARG A 68 4.262 -7.159 2.864 1.00 88.98
|
| 534 |
+
ATOM 530 NH2 ARG A 68 5.955 -5.736 2.511 1.00 88.98
|
| 535 |
+
ATOM 531 N ASP A 69 1.280 -5.820 10.534 1.00 92.21
|
| 536 |
+
ATOM 532 CA ASP A 69 0.139 -6.247 11.339 1.00 92.21
|
| 537 |
+
ATOM 533 C ASP A 69 -0.371 -5.124 12.264 1.00 92.21
|
| 538 |
+
ATOM 534 O ASP A 69 -1.566 -5.065 12.558 1.00 92.21
|
| 539 |
+
ATOM 535 CB ASP A 69 0.521 -7.508 12.133 1.00 92.21
|
| 540 |
+
ATOM 536 CG ASP A 69 0.584 -8.802 11.295 1.00 92.21
|
| 541 |
+
ATOM 537 OD1 ASP A 69 0.653 -8.756 10.043 1.00 92.21
|
| 542 |
+
ATOM 538 OD2 ASP A 69 0.515 -9.884 11.914 1.00 92.21
|
| 543 |
+
ATOM 539 N GLN A 70 0.496 -4.198 12.693 1.00 91.60
|
| 544 |
+
ATOM 540 CA GLN A 70 0.105 -3.079 13.554 1.00 91.60
|
| 545 |
+
ATOM 541 C GLN A 70 -0.815 -2.101 12.819 1.00 91.60
|
| 546 |
+
ATOM 542 O GLN A 70 -1.928 -1.842 13.287 1.00 91.60
|
| 547 |
+
ATOM 543 CB GLN A 70 1.360 -2.385 14.104 1.00 91.60
|
| 548 |
+
ATOM 544 CG GLN A 70 1.022 -1.176 14.993 1.00 91.60
|
| 549 |
+
ATOM 545 CD GLN A 70 2.264 -0.551 15.621 1.00 91.60
|
| 550 |
+
ATOM 546 OE1 GLN A 70 3.242 -1.210 15.920 1.00 91.60
|
| 551 |
+
ATOM 547 NE2 GLN A 70 2.261 0.737 15.883 1.00 91.60
|
| 552 |
+
ATOM 548 N TYR A 71 -0.389 -1.592 11.661 1.00 91.78
|
| 553 |
+
ATOM 549 CA TYR A 71 -1.203 -0.651 10.895 1.00 91.78
|
| 554 |
+
ATOM 550 C TYR A 71 -2.450 -1.310 10.296 1.00 91.78
|
| 555 |
+
ATOM 551 O TYR A 71 -3.515 -0.694 10.210 1.00 91.78
|
| 556 |
+
ATOM 552 CB TYR A 71 -0.346 0.040 9.836 1.00 91.78
|
| 557 |
+
ATOM 553 CG TYR A 71 0.333 -0.804 8.782 1.00 91.78
|
| 558 |
+
ATOM 554 CD1 TYR A 71 1.735 -0.771 8.649 1.00 91.78
|
| 559 |
+
ATOM 555 CD2 TYR A 71 -0.446 -1.472 7.820 1.00 91.78
|
| 560 |
+
ATOM 556 CE1 TYR A 71 2.346 -1.381 7.536 1.00 91.78
|
| 561 |
+
ATOM 557 CE2 TYR A 71 0.160 -2.148 6.756 1.00 91.78
|
| 562 |
+
ATOM 558 CZ TYR A 71 1.550 -2.078 6.595 1.00 91.78
|
| 563 |
+
ATOM 559 OH TYR A 71 2.095 -2.635 5.487 1.00 91.78
|
| 564 |
+
ATOM 560 N MET A 72 -2.369 -2.597 9.938 1.00 93.98
|
| 565 |
+
ATOM 561 CA MET A 72 -3.527 -3.337 9.438 1.00 93.98
|
| 566 |
+
ATOM 562 C MET A 72 -4.580 -3.511 10.526 1.00 93.98
|
| 567 |
+
ATOM 563 O MET A 72 -5.777 -3.476 10.248 1.00 93.98
|
| 568 |
+
ATOM 564 CB MET A 72 -3.104 -4.692 8.865 1.00 93.98
|
| 569 |
+
ATOM 565 CG MET A 72 -2.363 -4.547 7.540 1.00 93.98
|
| 570 |
+
ATOM 566 SD MET A 72 -1.835 -6.133 6.859 1.00 93.98
|
| 571 |
+
ATOM 567 CE MET A 72 -0.890 -5.566 5.422 1.00 93.98
|
| 572 |
+
ATOM 568 N ARG A 73 -4.178 -3.630 11.793 1.00 95.42
|
| 573 |
+
ATOM 569 CA ARG A 73 -5.131 -3.714 12.901 1.00 95.42
|
| 574 |
+
ATOM 570 C ARG A 73 -5.888 -2.407 13.112 1.00 95.42
|
| 575 |
+
ATOM 571 O ARG A 73 -7.089 -2.463 13.365 1.00 95.42
|
| 576 |
+
ATOM 572 CB ARG A 73 -4.387 -4.157 14.159 1.00 95.42
|
| 577 |
+
ATOM 573 CG ARG A 73 -5.364 -4.579 15.267 1.00 95.42
|
| 578 |
+
ATOM 574 CD ARG A 73 -4.607 -5.080 16.500 1.00 95.42
|
| 579 |
+
ATOM 575 NE ARG A 73 -3.760 -6.245 16.175 1.00 95.42
|
| 580 |
+
ATOM 576 CZ ARG A 73 -2.520 -6.467 16.572 1.00 95.42
|
| 581 |
+
ATOM 577 NH1 ARG A 73 -1.917 -5.702 17.441 1.00 95.42
|
| 582 |
+
ATOM 578 NH2 ARG A 73 -1.851 -7.477 16.094 1.00 95.42
|
| 583 |
+
ATOM 579 N THR A 74 -5.243 -1.254 12.956 1.00 93.41
|
| 584 |
+
ATOM 580 CA THR A 74 -5.856 0.059 13.226 1.00 93.41
|
| 585 |
+
ATOM 581 C THR A 74 -6.617 0.657 12.038 1.00 93.41
|
| 586 |
+
ATOM 582 O THR A 74 -7.576 1.391 12.268 1.00 93.41
|
| 587 |
+
ATOM 583 CB THR A 74 -4.803 1.059 13.721 1.00 93.41
|
| 588 |
+
ATOM 584 OG1 THR A 74 -3.780 1.165 12.768 1.00 93.41
|
| 589 |
+
ATOM 585 CG2 THR A 74 -4.166 0.617 15.040 1.00 93.41
|
| 590 |
+
ATOM 586 N GLY A 75 -6.251 0.327 10.794 1.00 96.96
|
| 591 |
+
ATOM 587 CA GLY A 75 -6.881 0.870 9.581 1.00 96.96
|
| 592 |
+
ATOM 588 C GLY A 75 -8.327 0.423 9.365 1.00 96.96
|
| 593 |
+
ATOM 589 O GLY A 75 -8.639 -0.753 9.485 1.00 96.96
|
| 594 |
+
ATOM 590 N GLU A 76 -9.236 1.323 9.023 1.00 97.87
|
| 595 |
+
ATOM 591 CA GLU A 76 -10.641 0.991 8.744 1.00 97.87
|
| 596 |
+
ATOM 592 C GLU A 76 -10.886 0.599 7.288 1.00 97.87
|
| 597 |
+
ATOM 593 O GLU A 76 -11.812 -0.160 7.004 1.00 97.87
|
| 598 |
+
ATOM 594 CB GLU A 76 -11.523 2.176 9.114 1.00 97.87
|
| 599 |
+
ATOM 595 CG GLU A 76 -11.469 2.418 10.621 1.00 97.87
|
| 600 |
+
ATOM 596 CD GLU A 76 -12.432 3.534 10.960 1.00 97.87
|
| 601 |
+
ATOM 597 OE1 GLU A 76 -13.547 3.184 11.407 1.00 97.87
|
| 602 |
+
ATOM 598 OE2 GLU A 76 -12.112 4.714 10.691 1.00 97.87
|
| 603 |
+
ATOM 599 N GLY A 77 -10.037 1.082 6.383 1.00 98.57
|
| 604 |
+
ATOM 600 CA GLY A 77 -10.023 0.677 4.988 1.00 98.57
|
| 605 |
+
ATOM 601 C GLY A 77 -8.641 0.820 4.364 1.00 98.57
|
| 606 |
+
ATOM 602 O GLY A 77 -7.794 1.567 4.862 1.00 98.57
|
| 607 |
+
ATOM 603 N PHE A 78 -8.424 0.098 3.266 1.00 98.74
|
| 608 |
+
ATOM 604 CA PHE A 78 -7.111 -0.060 2.648 1.00 98.74
|
| 609 |
+
ATOM 605 C PHE A 78 -7.119 0.323 1.168 1.00 98.74
|
| 610 |
+
ATOM 606 O PHE A 78 -7.917 -0.195 0.386 1.00 98.74
|
| 611 |
+
ATOM 607 CB PHE A 78 -6.623 -1.500 2.856 1.00 98.74
|
| 612 |
+
ATOM 608 CG PHE A 78 -6.536 -1.881 4.319 1.00 98.74
|
| 613 |
+
ATOM 609 CD1 PHE A 78 -5.325 -1.707 5.005 1.00 98.74
|
| 614 |
+
ATOM 610 CD2 PHE A 78 -7.683 -2.307 5.018 1.00 98.74
|
| 615 |
+
ATOM 611 CE1 PHE A 78 -5.268 -1.909 6.391 1.00 98.74
|
| 616 |
+
ATOM 612 CE2 PHE A 78 -7.628 -2.513 6.406 1.00 98.74
|
| 617 |
+
ATOM 613 CZ PHE A 78 -6.420 -2.303 7.093 1.00 98.74
|
| 618 |
+
ATOM 614 N LEU A 79 -6.197 1.194 0.762 1.00 98.77
|
| 619 |
+
ATOM 615 CA LEU A 79 -5.832 1.320 -0.648 1.00 98.77
|
| 620 |
+
ATOM 616 C LEU A 79 -4.733 0.307 -0.949 1.00 98.77
|
| 621 |
+
ATOM 617 O LEU A 79 -3.637 0.406 -0.403 1.00 98.77
|
| 622 |
+
ATOM 618 CB LEU A 79 -5.377 2.752 -0.995 1.00 98.77
|
| 623 |
+
ATOM 619 CG LEU A 79 -6.495 3.804 -1.037 1.00 98.77
|
| 624 |
+
ATOM 620 CD1 LEU A 79 -5.898 5.185 -1.289 1.00 98.77
|
| 625 |
+
ATOM 621 CD2 LEU A 79 -7.529 3.559 -2.139 1.00 98.77
|
| 626 |
+
ATOM 622 N CYS A 80 -5.022 -0.645 -1.831 1.00 98.63
|
| 627 |
+
ATOM 623 CA CYS A 80 -4.062 -1.636 -2.302 1.00 98.63
|
| 628 |
+
ATOM 624 C CYS A 80 -3.468 -1.146 -3.625 1.00 98.63
|
| 629 |
+
ATOM 625 O CYS A 80 -4.107 -1.247 -4.672 1.00 98.63
|
| 630 |
+
ATOM 626 CB CYS A 80 -4.768 -2.994 -2.422 1.00 98.63
|
| 631 |
+
ATOM 627 SG CYS A 80 -5.290 -3.567 -0.778 1.00 98.63
|
| 632 |
+
ATOM 628 N VAL A 81 -2.271 -0.565 -3.570 1.00 98.82
|
| 633 |
+
ATOM 629 CA VAL A 81 -1.656 0.154 -4.690 1.00 98.82
|
| 634 |
+
ATOM 630 C VAL A 81 -0.615 -0.714 -5.392 1.00 98.82
|
| 635 |
+
ATOM 631 O VAL A 81 0.325 -1.205 -4.769 1.00 98.82
|
| 636 |
+
ATOM 632 CB VAL A 81 -1.031 1.489 -4.233 1.00 98.82
|
| 637 |
+
ATOM 633 CG1 VAL A 81 -0.648 2.356 -5.441 1.00 98.82
|
| 638 |
+
ATOM 634 CG2 VAL A 81 -1.973 2.319 -3.348 1.00 98.82
|
| 639 |
+
ATOM 635 N PHE A 82 -0.733 -0.830 -6.711 1.00 98.81
|
| 640 |
+
ATOM 636 CA PHE A 82 0.322 -1.326 -7.595 1.00 98.81
|
| 641 |
+
ATOM 637 C PHE A 82 0.647 -0.267 -8.653 1.00 98.81
|
| 642 |
+
ATOM 638 O PHE A 82 -0.097 0.700 -8.820 1.00 98.81
|
| 643 |
+
ATOM 639 CB PHE A 82 -0.083 -2.669 -8.215 1.00 98.81
|
| 644 |
+
ATOM 640 CG PHE A 82 -1.148 -2.586 -9.287 1.00 98.81
|
| 645 |
+
ATOM 641 CD1 PHE A 82 -2.508 -2.512 -8.937 1.00 98.81
|
| 646 |
+
ATOM 642 CD2 PHE A 82 -0.773 -2.593 -10.644 1.00 98.81
|
| 647 |
+
ATOM 643 CE1 PHE A 82 -3.488 -2.440 -9.943 1.00 98.81
|
| 648 |
+
ATOM 644 CE2 PHE A 82 -1.752 -2.511 -11.647 1.00 98.81
|
| 649 |
+
ATOM 645 CZ PHE A 82 -3.109 -2.431 -11.297 1.00 98.81
|
| 650 |
+
ATOM 646 N ALA A 83 1.755 -0.426 -9.374 1.00 98.65
|
| 651 |
+
ATOM 647 CA ALA A 83 2.057 0.418 -10.527 1.00 98.65
|
| 652 |
+
ATOM 648 C ALA A 83 1.782 -0.340 -11.829 1.00 98.65
|
| 653 |
+
ATOM 649 O ALA A 83 2.238 -1.470 -11.999 1.00 98.65
|
| 654 |
+
ATOM 650 CB ALA A 83 3.491 0.934 -10.422 1.00 98.65
|
| 655 |
+
ATOM 651 N ILE A 84 1.079 0.287 -12.775 1.00 98.65
|
| 656 |
+
ATOM 652 CA ILE A 84 0.684 -0.352 -14.045 1.00 98.65
|
| 657 |
+
ATOM 653 C ILE A 84 1.869 -0.761 -14.935 1.00 98.65
|
| 658 |
+
ATOM 654 O ILE A 84 1.697 -1.553 -15.858 1.00 98.65
|
| 659 |
+
ATOM 655 CB ILE A 84 -0.270 0.554 -14.847 1.00 98.65
|
| 660 |
+
ATOM 656 CG1 ILE A 84 0.369 1.917 -15.206 1.00 98.65
|
| 661 |
+
ATOM 657 CG2 ILE A 84 -1.603 0.757 -14.108 1.00 98.65
|
| 662 |
+
ATOM 658 CD1 ILE A 84 0.188 2.257 -16.686 1.00 98.65
|
| 663 |
+
ATOM 659 N ASN A 85 3.060 -0.223 -14.669 1.00 98.51
|
| 664 |
+
ATOM 660 CA ASN A 85 4.319 -0.550 -15.336 1.00 98.51
|
| 665 |
+
ATOM 661 C ASN A 85 5.195 -1.534 -14.532 1.00 98.51
|
| 666 |
+
ATOM 662 O ASN A 85 6.377 -1.690 -14.832 1.00 98.51
|
| 667 |
+
ATOM 663 CB ASN A 85 5.055 0.756 -15.673 1.00 98.51
|
| 668 |
+
ATOM 664 CG ASN A 85 5.649 1.461 -14.469 1.00 98.51
|
| 669 |
+
ATOM 665 OD1 ASN A 85 5.117 1.477 -13.369 1.00 98.51
|
| 670 |
+
ATOM 666 ND2 ASN A 85 6.784 2.091 -14.651 1.00 98.51
|
| 671 |
+
ATOM 667 N ASN A 86 4.651 -2.177 -13.494 1.00 98.14
|
| 672 |
+
ATOM 668 CA ASN A 86 5.362 -3.137 -12.653 1.00 98.14
|
| 673 |
+
ATOM 669 C ASN A 86 4.473 -4.354 -12.331 1.00 98.14
|
| 674 |
+
ATOM 670 O ASN A 86 3.709 -4.345 -11.363 1.00 98.14
|
| 675 |
+
ATOM 671 CB ASN A 86 5.869 -2.394 -11.401 1.00 98.14
|
| 676 |
+
ATOM 672 CG ASN A 86 6.671 -3.275 -10.458 1.00 98.14
|
| 677 |
+
ATOM 673 OD1 ASN A 86 6.664 -4.492 -10.523 1.00 98.14
|
| 678 |
+
ATOM 674 ND2 ASN A 86 7.384 -2.692 -9.523 1.00 98.14
|
| 679 |
+
ATOM 675 N THR A 87 4.624 -5.424 -13.117 1.00 98.32
|
| 680 |
+
ATOM 676 CA THR A 87 3.870 -6.681 -12.974 1.00 98.32
|
| 681 |
+
ATOM 677 C THR A 87 4.050 -7.327 -11.600 1.00 98.32
|
| 682 |
+
ATOM 678 O THR A 87 3.062 -7.724 -10.990 1.00 98.32
|
| 683 |
+
ATOM 679 CB THR A 87 4.293 -7.676 -14.066 1.00 98.32
|
| 684 |
+
ATOM 680 OG1 THR A 87 4.259 -7.034 -15.322 1.00 98.32
|
| 685 |
+
ATOM 681 CG2 THR A 87 3.391 -8.902 -14.148 1.00 98.32
|
| 686 |
+
ATOM 682 N LYS A 88 5.271 -7.338 -11.046 1.00 97.99
|
| 687 |
+
ATOM 683 CA LYS A 88 5.533 -7.899 -9.710 1.00 97.99
|
| 688 |
+
ATOM 684 C LYS A 88 4.723 -7.185 -8.627 1.00 97.99
|
| 689 |
+
ATOM 685 O LYS A 88 4.138 -7.828 -7.763 1.00 97.99
|
| 690 |
+
ATOM 686 CB LYS A 88 7.042 -7.840 -9.420 1.00 97.99
|
| 691 |
+
ATOM 687 CG LYS A 88 7.445 -8.402 -8.047 1.00 97.99
|
| 692 |
+
ATOM 688 CD LYS A 88 7.047 -9.875 -7.858 1.00 97.99
|
| 693 |
+
ATOM 689 CE LYS A 88 7.706 -10.474 -6.610 1.00 97.99
|
| 694 |
+
ATOM 690 NZ LYS A 88 7.119 -9.949 -5.356 1.00 97.99
|
| 695 |
+
ATOM 691 N SER A 89 4.617 -5.855 -8.711 1.00 98.21
|
| 696 |
+
ATOM 692 CA SER A 89 3.811 -5.084 -7.754 1.00 98.21
|
| 697 |
+
ATOM 693 C SER A 89 2.316 -5.408 -7.819 1.00 98.21
|
| 698 |
+
ATOM 694 O SER A 89 1.624 -5.269 -6.814 1.00 98.21
|
| 699 |
+
ATOM 695 CB SER A 89 4.036 -3.579 -7.921 1.00 98.21
|
| 700 |
+
ATOM 696 OG SER A 89 3.385 -3.013 -9.049 1.00 98.21
|
| 701 |
+
ATOM 697 N PHE A 90 1.820 -5.841 -8.983 1.00 98.66
|
| 702 |
+
ATOM 698 CA PHE A 90 0.443 -6.296 -9.164 1.00 98.66
|
| 703 |
+
ATOM 699 C PHE A 90 0.225 -7.700 -8.589 1.00 98.66
|
| 704 |
+
ATOM 700 O PHE A 90 -0.770 -7.927 -7.905 1.00 98.66
|
| 705 |
+
ATOM 701 CB PHE A 90 0.094 -6.226 -10.654 1.00 98.66
|
| 706 |
+
ATOM 702 CG PHE A 90 -1.283 -6.746 -10.997 1.00 98.66
|
| 707 |
+
ATOM 703 CD1 PHE A 90 -1.435 -7.971 -11.675 1.00 98.66
|
| 708 |
+
ATOM 704 CD2 PHE A 90 -2.416 -6.001 -10.634 1.00 98.66
|
| 709 |
+
ATOM 705 CE1 PHE A 90 -2.721 -8.435 -12.005 1.00 98.66
|
| 710 |
+
ATOM 706 CE2 PHE A 90 -3.699 -6.463 -10.965 1.00 98.66
|
| 711 |
+
ATOM 707 CZ PHE A 90 -3.852 -7.677 -11.659 1.00 98.66
|
| 712 |
+
ATOM 708 N GLU A 91 1.173 -8.615 -8.794 1.00 97.96
|
| 713 |
+
ATOM 709 CA GLU A 91 1.157 -9.957 -8.190 1.00 97.96
|
| 714 |
+
ATOM 710 C GLU A 91 1.155 -9.880 -6.651 1.00 97.96
|
| 715 |
+
ATOM 711 O GLU A 91 0.383 -10.574 -5.984 1.00 97.96
|
| 716 |
+
ATOM 712 CB GLU A 91 2.375 -10.748 -8.694 1.00 97.96
|
| 717 |
+
ATOM 713 CG GLU A 91 2.301 -11.054 -10.202 1.00 97.96
|
| 718 |
+
ATOM 714 CD GLU A 91 3.626 -11.560 -10.798 1.00 97.96
|
| 719 |
+
ATOM 715 OE1 GLU A 91 3.601 -11.920 -11.997 1.00 97.96
|
| 720 |
+
ATOM 716 OE2 GLU A 91 4.662 -11.542 -10.091 1.00 97.96
|
| 721 |
+
ATOM 717 N ASP A 92 1.934 -8.953 -6.085 1.00 97.35
|
| 722 |
+
ATOM 718 CA ASP A 92 2.061 -8.765 -4.636 1.00 97.35
|
| 723 |
+
ATOM 719 C ASP A 92 0.771 -8.312 -3.941 1.00 97.35
|
| 724 |
+
ATOM 720 O ASP A 92 0.622 -8.507 -2.731 1.00 97.35
|
| 725 |
+
ATOM 721 CB ASP A 92 3.207 -7.780 -4.342 1.00 97.35
|
| 726 |
+
ATOM 722 CG ASP A 92 4.579 -8.407 -4.588 1.00 97.35
|
| 727 |
+
ATOM 723 OD1 ASP A 92 4.679 -9.651 -4.519 1.00 97.35
|
| 728 |
+
ATOM 724 OD2 ASP A 92 5.571 -7.673 -4.810 1.00 97.35
|
| 729 |
+
ATOM 725 N ILE A 93 -0.201 -7.760 -4.679 1.00 98.27
|
| 730 |
+
ATOM 726 CA ILE A 93 -1.503 -7.347 -4.129 1.00 98.27
|
| 731 |
+
ATOM 727 C ILE A 93 -2.202 -8.503 -3.414 1.00 98.27
|
| 732 |
+
ATOM 728 O ILE A 93 -2.850 -8.282 -2.387 1.00 98.27
|
| 733 |
+
ATOM 729 CB ILE A 93 -2.401 -6.783 -5.252 1.00 98.27
|
| 734 |
+
ATOM 730 CG1 ILE A 93 -1.831 -5.475 -5.846 1.00 98.27
|
| 735 |
+
ATOM 731 CG2 ILE A 93 -3.857 -6.572 -4.800 1.00 98.27
|
| 736 |
+
ATOM 732 CD1 ILE A 93 -1.663 -4.314 -4.853 1.00 98.27
|
| 737 |
+
ATOM 733 N HIS A 94 -2.057 -9.732 -3.917 1.00 97.53
|
| 738 |
+
ATOM 734 CA HIS A 94 -2.633 -10.906 -3.267 1.00 97.53
|
| 739 |
+
ATOM 735 C HIS A 94 -2.098 -11.079 -1.838 1.00 97.53
|
| 740 |
+
ATOM 736 O HIS A 94 -2.877 -11.250 -0.901 1.00 97.53
|
| 741 |
+
ATOM 737 CB HIS A 94 -2.359 -12.142 -4.129 1.00 97.53
|
| 742 |
+
ATOM 738 CG HIS A 94 -3.004 -13.373 -3.554 1.00 97.53
|
| 743 |
+
ATOM 739 ND1 HIS A 94 -4.356 -13.603 -3.457 1.00 97.53
|
| 744 |
+
ATOM 740 CD2 HIS A 94 -2.368 -14.426 -2.955 1.00 97.53
|
| 745 |
+
ATOM 741 CE1 HIS A 94 -4.533 -14.763 -2.803 1.00 97.53
|
| 746 |
+
ATOM 742 NE2 HIS A 94 -3.347 -15.307 -2.485 1.00 97.53
|
| 747 |
+
ATOM 743 N HIS A 95 -0.784 -10.937 -1.644 1.00 95.62
|
| 748 |
+
ATOM 744 CA HIS A 95 -0.157 -11.056 -0.328 1.00 95.62
|
| 749 |
+
ATOM 745 C HIS A 95 -0.625 -9.966 0.642 1.00 95.62
|
| 750 |
+
ATOM 746 O HIS A 95 -0.958 -10.276 1.787 1.00 95.62
|
| 751 |
+
ATOM 747 CB HIS A 95 1.369 -11.039 -0.484 1.00 95.62
|
| 752 |
+
ATOM 748 CG HIS A 95 1.892 -12.208 -1.275 1.00 95.62
|
| 753 |
+
ATOM 749 ND1 HIS A 95 1.597 -13.533 -1.039 1.00 95.62
|
| 754 |
+
ATOM 750 CD2 HIS A 95 2.747 -12.167 -2.345 1.00 95.62
|
| 755 |
+
ATOM 751 CE1 HIS A 95 2.258 -14.273 -1.943 1.00 95.62
|
| 756 |
+
ATOM 752 NE2 HIS A 95 2.970 -13.485 -2.757 1.00 95.62
|
| 757 |
+
ATOM 753 N TYR A 96 -0.715 -8.710 0.187 1.00 96.58
|
| 758 |
+
ATOM 754 CA TYR A 96 -1.244 -7.619 1.015 1.00 96.58
|
| 759 |
+
ATOM 755 C TYR A 96 -2.695 -7.875 1.428 1.00 96.58
|
| 760 |
+
ATOM 756 O TYR A 96 -3.032 -7.725 2.603 1.00 96.58
|
| 761 |
+
ATOM 757 CB TYR A 96 -1.133 -6.274 0.285 1.00 96.58
|
| 762 |
+
ATOM 758 CG TYR A 96 0.280 -5.730 0.226 1.00 96.58
|
| 763 |
+
ATOM 759 CD1 TYR A 96 0.850 -5.133 1.367 1.00 96.58
|
| 764 |
+
ATOM 760 CD2 TYR A 96 1.028 -5.830 -0.961 1.00 96.58
|
| 765 |
+
ATOM 761 CE1 TYR A 96 2.171 -4.645 1.326 1.00 96.58
|
| 766 |
+
ATOM 762 CE2 TYR A 96 2.357 -5.374 -0.999 1.00 96.58
|
| 767 |
+
ATOM 763 CZ TYR A 96 2.931 -4.782 0.143 1.00 96.58
|
| 768 |
+
ATOM 764 OH TYR A 96 4.210 -4.336 0.086 1.00 96.58
|
| 769 |
+
ATOM 765 N ARG A 97 -3.548 -8.305 0.490 1.00 97.25
|
| 770 |
+
ATOM 766 CA ARG A 97 -4.957 -8.599 0.771 1.00 97.25
|
| 771 |
+
ATOM 767 C ARG A 97 -5.111 -9.706 1.808 1.00 97.25
|
| 772 |
+
ATOM 768 O ARG A 97 -5.835 -9.516 2.785 1.00 97.25
|
| 773 |
+
ATOM 769 CB ARG A 97 -5.677 -8.955 -0.535 1.00 97.25
|
| 774 |
+
ATOM 770 CG ARG A 97 -7.158 -9.252 -0.270 1.00 97.25
|
| 775 |
+
ATOM 771 CD ARG A 97 -7.870 -9.623 -1.564 1.00 97.25
|
| 776 |
+
ATOM 772 NE ARG A 97 -9.304 -9.849 -1.326 1.00 97.25
|
| 777 |
+
ATOM 773 CZ ARG A 97 -9.878 -10.982 -0.963 1.00 97.25
|
| 778 |
+
ATOM 774 NH1 ARG A 97 -9.222 -12.078 -0.685 1.00 97.25
|
| 779 |
+
ATOM 775 NH2 ARG A 97 -11.179 -11.023 -0.852 1.00 97.25
|
| 780 |
+
ATOM 776 N GLU A 98 -4.446 -10.844 1.617 1.00 96.72
|
| 781 |
+
ATOM 777 CA GLU A 98 -4.565 -11.969 2.552 1.00 96.72
|
| 782 |
+
ATOM 778 C GLU A 98 -4.017 -11.616 3.939 1.00 96.72
|
| 783 |
+
ATOM 779 O GLU A 98 -4.607 -11.998 4.952 1.00 96.72
|
| 784 |
+
ATOM 780 CB GLU A 98 -3.884 -13.228 1.988 1.00 96.72
|
| 785 |
+
ATOM 781 CG GLU A 98 -4.586 -13.808 0.746 1.00 96.72
|
| 786 |
+
ATOM 782 CD GLU A 98 -6.113 -13.928 0.913 1.00 96.72
|
| 787 |
+
ATOM 783 OE1 GLU A 98 -6.858 -13.307 0.112 1.00 96.72
|
| 788 |
+
ATOM 784 OE2 GLU A 98 -6.582 -14.543 1.898 1.00 96.72
|
| 789 |
+
ATOM 785 N GLN A 99 -2.953 -10.809 4.011 1.00 95.53
|
| 790 |
+
ATOM 786 CA GLN A 99 -2.453 -10.302 5.286 1.00 95.53
|
| 791 |
+
ATOM 787 C GLN A 99 -3.482 -9.403 5.987 1.00 95.53
|
| 792 |
+
ATOM 788 O GLN A 99 -3.751 -9.607 7.172 1.00 95.53
|
| 793 |
+
ATOM 789 CB GLN A 99 -1.117 -9.577 5.075 1.00 95.53
|
| 794 |
+
ATOM 790 CG GLN A 99 -0.428 -9.348 6.426 1.00 95.53
|
| 795 |
+
ATOM 791 CD GLN A 99 0.956 -8.717 6.332 1.00 95.53
|
| 796 |
+
ATOM 792 OE1 GLN A 99 1.425 -8.255 5.298 1.00 95.53
|
| 797 |
+
ATOM 793 NE2 GLN A 99 1.684 -8.719 7.426 1.00 95.53
|
| 798 |
+
ATOM 794 N ILE A 100 -4.105 -8.462 5.267 1.00 97.40
|
| 799 |
+
ATOM 795 CA ILE A 100 -5.142 -7.588 5.832 1.00 97.40
|
| 800 |
+
ATOM 796 C ILE A 100 -6.304 -8.422 6.373 1.00 97.40
|
| 801 |
+
ATOM 797 O ILE A 100 -6.712 -8.228 7.517 1.00 97.40
|
| 802 |
+
ATOM 798 CB ILE A 100 -5.649 -6.565 4.792 1.00 97.40
|
| 803 |
+
ATOM 799 CG1 ILE A 100 -4.573 -5.522 4.435 1.00 97.40
|
| 804 |
+
ATOM 800 CG2 ILE A 100 -6.877 -5.825 5.355 1.00 97.40
|
| 805 |
+
ATOM 801 CD1 ILE A 100 -4.849 -4.819 3.100 1.00 97.40
|
| 806 |
+
ATOM 802 N LYS A 101 -6.816 -9.368 5.581 1.00 97.20
|
| 807 |
+
ATOM 803 CA LYS A 101 -7.930 -10.237 5.985 1.00 97.20
|
| 808 |
+
ATOM 804 C LYS A 101 -7.614 -11.022 7.249 1.00 97.20
|
| 809 |
+
ATOM 805 O LYS A 101 -8.419 -11.031 8.176 1.00 97.20
|
| 810 |
+
ATOM 806 CB LYS A 101 -8.255 -11.210 4.856 1.00 97.20
|
| 811 |
+
ATOM 807 CG LYS A 101 -8.946 -10.493 3.690 1.00 97.20
|
| 812 |
+
ATOM 808 CD LYS A 101 -9.178 -11.458 2.532 1.00 97.20
|
| 813 |
+
ATOM 809 CE LYS A 101 -10.189 -12.522 2.942 1.00 97.20
|
| 814 |
+
ATOM 810 NZ LYS A 101 -9.795 -13.898 2.568 1.00 97.20
|
| 815 |
+
ATOM 811 N ARG A 102 -6.416 -11.611 7.314 1.00 96.77
|
| 816 |
+
ATOM 812 CA ARG A 102 -5.931 -12.340 8.491 1.00 96.77
|
| 817 |
+
ATOM 813 C ARG A 102 -5.868 -11.445 9.727 1.00 96.77
|
| 818 |
+
ATOM 814 O ARG A 102 -6.336 -11.841 10.785 1.00 96.77
|
| 819 |
+
ATOM 815 CB ARG A 102 -4.558 -12.938 8.160 1.00 96.77
|
| 820 |
+
ATOM 816 CG ARG A 102 -4.011 -13.806 9.303 1.00 96.77
|
| 821 |
+
ATOM 817 CD ARG A 102 -2.584 -14.267 8.998 1.00 96.77
|
| 822 |
+
ATOM 818 NE ARG A 102 -1.612 -13.154 9.095 1.00 96.77
|
| 823 |
+
ATOM 819 CZ ARG A 102 -0.470 -13.029 8.444 1.00 96.77
|
| 824 |
+
ATOM 820 NH1 ARG A 102 -0.100 -13.890 7.532 1.00 96.77
|
| 825 |
+
ATOM 821 NH2 ARG A 102 0.334 -12.036 8.710 1.00 96.77
|
| 826 |
+
ATOM 822 N VAL A 103 -5.302 -10.243 9.607 1.00 96.34
|
| 827 |
+
ATOM 823 CA VAL A 103 -5.162 -9.309 10.740 1.00 96.34
|
| 828 |
+
ATOM 824 C VAL A 103 -6.516 -8.756 11.192 1.00 96.34
|
| 829 |
+
ATOM 825 O VAL A 103 -6.709 -8.498 12.381 1.00 96.34
|
| 830 |
+
ATOM 826 CB VAL A 103 -4.194 -8.168 10.376 1.00 96.34
|
| 831 |
+
ATOM 827 CG1 VAL A 103 -4.134 -7.092 11.468 1.00 96.34
|
| 832 |
+
ATOM 828 CG2 VAL A 103 -2.770 -8.704 10.190 1.00 96.34
|
| 833 |
+
ATOM 829 N LYS A 104 -7.452 -8.568 10.257 1.00 96.21
|
| 834 |
+
ATOM 830 CA LYS A 104 -8.818 -8.108 10.532 1.00 96.21
|
| 835 |
+
ATOM 831 C LYS A 104 -9.772 -9.200 10.989 1.00 96.21
|
| 836 |
+
ATOM 832 O LYS A 104 -10.861 -8.848 11.437 1.00 96.21
|
| 837 |
+
ATOM 833 CB LYS A 104 -9.389 -7.419 9.280 1.00 96.21
|
| 838 |
+
ATOM 834 CG LYS A 104 -8.757 -6.057 8.974 1.00 96.21
|
| 839 |
+
ATOM 835 CD LYS A 104 -8.808 -5.157 10.207 1.00 96.21
|
| 840 |
+
ATOM 836 CE LYS A 104 -8.659 -3.708 9.799 1.00 96.21
|
| 841 |
+
ATOM 837 NZ LYS A 104 -8.415 -2.884 10.994 1.00 96.21
|
| 842 |
+
ATOM 838 N ASP A 105 -9.385 -10.464 10.842 1.00 96.11
|
| 843 |
+
ATOM 839 CA ASP A 105 -10.254 -11.624 11.039 1.00 96.11
|
| 844 |
+
ATOM 840 C ASP A 105 -11.597 -11.455 10.298 1.00 96.11
|
| 845 |
+
ATOM 841 O ASP A 105 -12.690 -11.574 10.854 1.00 96.11
|
| 846 |
+
ATOM 842 CB ASP A 105 -10.362 -11.928 12.540 1.00 96.11
|
| 847 |
+
ATOM 843 CG ASP A 105 -10.966 -13.304 12.821 1.00 96.11
|
| 848 |
+
ATOM 844 OD1 ASP A 105 -10.741 -14.220 11.997 1.00 96.11
|
| 849 |
+
ATOM 845 OD2 ASP A 105 -11.594 -13.442 13.896 1.00 96.11
|
| 850 |
+
ATOM 846 N SER A 106 -11.524 -11.025 9.031 1.00 94.75
|
| 851 |
+
ATOM 847 CA SER A 106 -12.708 -10.684 8.240 1.00 94.75
|
| 852 |
+
ATOM 848 C SER A 106 -12.468 -10.829 6.739 1.00 94.75
|
| 853 |
+
ATOM 849 O SER A 106 -11.444 -10.399 6.213 1.00 94.75
|
| 854 |
+
ATOM 850 CB SER A 106 -13.152 -9.250 8.562 1.00 94.75
|
| 855 |
+
ATOM 851 OG SER A 106 -14.472 -9.010 8.097 1.00 94.75
|
| 856 |
+
ATOM 852 N GLU A 107 -13.457 -11.386 6.040 1.00 93.66
|
| 857 |
+
ATOM 853 CA GLU A 107 -13.479 -11.467 4.575 1.00 93.66
|
| 858 |
+
ATOM 854 C GLU A 107 -13.954 -10.158 3.916 1.00 93.66
|
| 859 |
+
ATOM 855 O GLU A 107 -13.533 -9.840 2.808 1.00 93.66
|
| 860 |
+
ATOM 856 CB GLU A 107 -14.384 -12.639 4.152 1.00 93.66
|
| 861 |
+
ATOM 857 CG GLU A 107 -13.859 -14.021 4.584 1.00 93.66
|
| 862 |
+
ATOM 858 CD GLU A 107 -12.530 -14.365 3.906 1.00 93.66
|
| 863 |
+
ATOM 859 OE1 GLU A 107 -11.523 -14.620 4.603 1.00 93.66
|
| 864 |
+
ATOM 860 OE2 GLU A 107 -12.456 -14.290 2.657 1.00 93.66
|
| 865 |
+
ATOM 861 N ASP A 108 -14.777 -9.374 4.621 1.00 93.30
|
| 866 |
+
ATOM 862 CA ASP A 108 -15.489 -8.195 4.100 1.00 93.30
|
| 867 |
+
ATOM 863 C ASP A 108 -14.765 -6.872 4.434 1.00 93.30
|
| 868 |
+
ATOM 864 O ASP A 108 -15.400 -5.872 4.771 1.00 93.30
|
| 869 |
+
ATOM 865 CB ASP A 108 -16.944 -8.182 4.623 1.00 93.30
|
| 870 |
+
ATOM 866 CG ASP A 108 -17.878 -9.270 4.083 1.00 93.30
|
| 871 |
+
ATOM 867 OD1 ASP A 108 -17.652 -9.754 2.956 1.00 93.30
|
| 872 |
+
ATOM 868 OD2 ASP A 108 -18.886 -9.540 4.789 1.00 93.30
|
| 873 |
+
ATOM 869 N VAL A 109 -13.431 -6.844 4.427 1.00 97.70
|
| 874 |
+
ATOM 870 CA VAL A 109 -12.674 -5.631 4.792 1.00 97.70
|
| 875 |
+
ATOM 871 C VAL A 109 -12.792 -4.569 3.684 1.00 97.70
|
| 876 |
+
ATOM 872 O VAL A 109 -12.532 -4.901 2.528 1.00 97.70
|
| 877 |
+
ATOM 873 CB VAL A 109 -11.197 -5.936 5.084 1.00 97.70
|
| 878 |
+
ATOM 874 CG1 VAL A 109 -10.464 -4.682 5.580 1.00 97.70
|
| 879 |
+
ATOM 875 CG2 VAL A 109 -11.044 -7.013 6.159 1.00 97.70
|
| 880 |
+
ATOM 876 N PRO A 110 -13.112 -3.294 3.995 1.00 98.58
|
| 881 |
+
ATOM 877 CA PRO A 110 -13.135 -2.219 3.001 1.00 98.58
|
| 882 |
+
ATOM 878 C PRO A 110 -11.780 -2.042 2.311 1.00 98.58
|
| 883 |
+
ATOM 879 O PRO A 110 -10.780 -1.716 2.957 1.00 98.58
|
| 884 |
+
ATOM 880 CB PRO A 110 -13.540 -0.949 3.760 1.00 98.58
|
| 885 |
+
ATOM 881 CG PRO A 110 -14.333 -1.498 4.937 1.00 98.58
|
| 886 |
+
ATOM 882 CD PRO A 110 -13.606 -2.796 5.271 1.00 98.58
|
| 887 |
+
ATOM 883 N MET A 111 -11.743 -2.226 0.993 1.00 98.78
|
| 888 |
+
ATOM 884 CA MET A 111 -10.540 -2.010 0.192 1.00 98.78
|
| 889 |
+
ATOM 885 C MET A 111 -10.876 -1.392 -1.160 1.00 98.78
|
| 890 |
+
ATOM 886 O MET A 111 -11.985 -1.543 -1.665 1.00 98.78
|
| 891 |
+
ATOM 887 CB MET A 111 -9.747 -3.308 -0.038 1.00 98.78
|
| 892 |
+
ATOM 888 CG MET A 111 -9.420 -4.114 1.218 1.00 98.78
|
| 893 |
+
ATOM 889 SD MET A 111 -8.300 -5.504 0.906 1.00 98.78
|
| 894 |
+
ATOM 890 CE MET A 111 -8.550 -6.412 2.445 1.00 98.78
|
| 895 |
+
ATOM 891 N VAL A 112 -9.888 -0.748 -1.775 1.00 98.88
|
| 896 |
+
ATOM 892 CA VAL A 112 -9.925 -0.322 -3.179 1.00 98.88
|
| 897 |
+
ATOM 893 C VAL A 112 -8.606 -0.718 -3.835 1.00 98.88
|
| 898 |
+
ATOM 894 O VAL A 112 -7.531 -0.431 -3.302 1.00 98.88
|
| 899 |
+
ATOM 895 CB VAL A 112 -10.193 1.192 -3.286 1.00 98.88
|
| 900 |
+
ATOM 896 CG1 VAL A 112 -10.063 1.724 -4.719 1.00 98.88
|
| 901 |
+
ATOM 897 CG2 VAL A 112 -11.587 1.564 -2.771 1.00 98.88
|
| 902 |
+
ATOM 898 N LEU A 113 -8.681 -1.376 -4.993 1.00 98.89
|
| 903 |
+
ATOM 899 CA LEU A 113 -7.513 -1.669 -5.820 1.00 98.89
|
| 904 |
+
ATOM 900 C LEU A 113 -7.140 -0.428 -6.634 1.00 98.89
|
| 905 |
+
ATOM 901 O LEU A 113 -7.981 0.131 -7.342 1.00 98.89
|
| 906 |
+
ATOM 902 CB LEU A 113 -7.801 -2.882 -6.724 1.00 98.89
|
| 907 |
+
ATOM 903 CG LEU A 113 -6.589 -3.321 -7.568 1.00 98.89
|
| 908 |
+
ATOM 904 CD1 LEU A 113 -5.438 -3.805 -6.693 1.00 98.89
|
| 909 |
+
ATOM 905 CD2 LEU A 113 -6.971 -4.458 -8.513 1.00 98.89
|
| 910 |
+
ATOM 906 N VAL A 114 -5.874 -0.020 -6.574 1.00 98.92
|
| 911 |
+
ATOM 907 CA VAL A 114 -5.382 1.181 -7.256 1.00 98.92
|
| 912 |
+
ATOM 908 C VAL A 114 -4.246 0.829 -8.208 1.00 98.92
|
| 913 |
+
ATOM 909 O VAL A 114 -3.180 0.393 -7.776 1.00 98.92
|
| 914 |
+
ATOM 910 CB VAL A 114 -4.963 2.263 -6.249 1.00 98.92
|
| 915 |
+
ATOM 911 CG1 VAL A 114 -4.493 3.529 -6.971 1.00 98.92
|
| 916 |
+
ATOM 912 CG2 VAL A 114 -6.125 2.658 -5.329 1.00 98.92
|
| 917 |
+
ATOM 913 N GLY A 115 -4.470 1.051 -9.503 1.00 98.87
|
| 918 |
+
ATOM 914 CA GLY A 115 -3.441 0.946 -10.539 1.00 98.87
|
| 919 |
+
ATOM 915 C GLY A 115 -2.812 2.308 -10.797 1.00 98.87
|
| 920 |
+
ATOM 916 O GLY A 115 -3.341 3.092 -11.583 1.00 98.87
|
| 921 |
+
ATOM 917 N ASN A 116 -1.704 2.607 -10.127 1.00 98.77
|
| 922 |
+
ATOM 918 CA ASN A 116 -1.046 3.905 -10.224 1.00 98.77
|
| 923 |
+
ATOM 919 C ASN A 116 -0.102 4.002 -11.434 1.00 98.77
|
| 924 |
+
ATOM 920 O ASN A 116 0.297 2.993 -12.020 1.00 98.77
|
| 925 |
+
ATOM 921 CB ASN A 116 -0.344 4.215 -8.892 1.00 98.77
|
| 926 |
+
ATOM 922 CG ASN A 116 0.074 5.671 -8.760 1.00 98.77
|
| 927 |
+
ATOM 923 OD1 ASN A 116 -0.557 6.591 -9.269 1.00 98.77
|
| 928 |
+
ATOM 924 ND2 ASN A 116 1.168 5.926 -8.089 1.00 98.77
|
| 929 |
+
ATOM 925 N LYS A 117 0.320 5.233 -11.744 1.00 98.14
|
| 930 |
+
ATOM 926 CA LYS A 117 1.211 5.595 -12.858 1.00 98.14
|
| 931 |
+
ATOM 927 C LYS A 117 0.587 5.360 -14.234 1.00 98.14
|
| 932 |
+
ATOM 928 O LYS A 117 1.296 5.035 -15.184 1.00 98.14
|
| 933 |
+
ATOM 929 CB LYS A 117 2.602 4.944 -12.726 1.00 98.14
|
| 934 |
+
ATOM 930 CG LYS A 117 3.206 4.999 -11.317 1.00 98.14
|
| 935 |
+
ATOM 931 CD LYS A 117 4.676 4.575 -11.364 1.00 98.14
|
| 936 |
+
ATOM 932 CE LYS A 117 5.225 4.467 -9.942 1.00 98.14
|
| 937 |
+
ATOM 933 NZ LYS A 117 6.675 4.166 -9.937 1.00 98.14
|
| 938 |
+
ATOM 934 N CYS A 118 -0.735 5.522 -14.351 1.00 98.30
|
| 939 |
+
ATOM 935 CA CYS A 118 -1.448 5.348 -15.621 1.00 98.30
|
| 940 |
+
ATOM 936 C CYS A 118 -1.050 6.363 -16.709 1.00 98.30
|
| 941 |
+
ATOM 937 O CYS A 118 -1.418 6.185 -17.866 1.00 98.30
|
| 942 |
+
ATOM 938 CB CYS A 118 -2.962 5.320 -15.368 1.00 98.30
|
| 943 |
+
ATOM 939 SG CYS A 118 -3.554 6.945 -14.818 1.00 98.30
|
| 944 |
+
ATOM 940 N ASP A 119 -0.273 7.391 -16.353 1.00 97.84
|
| 945 |
+
ATOM 941 CA ASP A 119 0.351 8.344 -17.272 1.00 97.84
|
| 946 |
+
ATOM 942 C ASP A 119 1.558 7.777 -18.041 1.00 97.84
|
| 947 |
+
ATOM 943 O ASP A 119 1.966 8.356 -19.048 1.00 97.84
|
| 948 |
+
ATOM 944 CB ASP A 119 0.768 9.591 -16.475 1.00 97.84
|
| 949 |
+
ATOM 945 CG ASP A 119 1.748 9.285 -15.334 1.00 97.84
|
| 950 |
+
ATOM 946 OD1 ASP A 119 1.269 8.759 -14.296 1.00 97.84
|
| 951 |
+
ATOM 947 OD2 ASP A 119 2.938 9.645 -15.446 1.00 97.84
|
| 952 |
+
ATOM 948 N LEU A 120 2.145 6.661 -17.592 1.00 96.90
|
| 953 |
+
ATOM 949 CA LEU A 120 3.327 6.087 -18.231 1.00 96.90
|
| 954 |
+
ATOM 950 C LEU A 120 2.960 5.235 -19.459 1.00 96.90
|
| 955 |
+
ATOM 951 O LEU A 120 2.050 4.408 -19.383 1.00 96.90
|
| 956 |
+
ATOM 952 CB LEU A 120 4.147 5.270 -17.218 1.00 96.90
|
| 957 |
+
ATOM 953 CG LEU A 120 4.731 6.092 -16.055 1.00 96.90
|
| 958 |
+
ATOM 954 CD1 LEU A 120 5.540 5.161 -15.150 1.00 96.90
|
| 959 |
+
ATOM 955 CD2 LEU A 120 5.668 7.208 -16.525 1.00 96.90
|
| 960 |
+
ATOM 956 N PRO A 121 3.716 5.339 -20.571 1.00 96.09
|
| 961 |
+
ATOM 957 CA PRO A 121 3.475 4.527 -21.766 1.00 96.09
|
| 962 |
+
ATOM 958 C PRO A 121 3.909 3.062 -21.596 1.00 96.09
|
| 963 |
+
ATOM 959 O PRO A 121 3.440 2.190 -22.322 1.00 96.09
|
| 964 |
+
ATOM 960 CB PRO A 121 4.266 5.227 -22.876 1.00 96.09
|
| 965 |
+
ATOM 961 CG PRO A 121 5.439 5.865 -22.131 1.00 96.09
|
| 966 |
+
ATOM 962 CD PRO A 121 4.814 6.273 -20.799 1.00 96.09
|
| 967 |
+
ATOM 963 N SER A 122 4.797 2.767 -20.643 1.00 96.27
|
| 968 |
+
ATOM 964 CA SER A 122 5.376 1.440 -20.397 1.00 96.27
|
| 969 |
+
ATOM 965 C SER A 122 4.469 0.524 -19.563 1.00 96.27
|
| 970 |
+
ATOM 966 O SER A 122 4.920 -0.114 -18.613 1.00 96.27
|
| 971 |
+
ATOM 967 CB SER A 122 6.781 1.592 -19.797 1.00 96.27
|
| 972 |
+
ATOM 968 OG SER A 122 6.790 2.476 -18.685 1.00 96.27
|
| 973 |
+
ATOM 969 N ARG A 123 3.175 0.457 -19.895 1.00 98.11
|
| 974 |
+
ATOM 970 CA ARG A 123 2.218 -0.433 -19.223 1.00 98.11
|
| 975 |
+
ATOM 971 C ARG A 123 2.618 -1.901 -19.410 1.00 98.11
|
| 976 |
+
ATOM 972 O ARG A 123 2.831 -2.349 -20.531 1.00 98.11
|
| 977 |
+
ATOM 973 CB ARG A 123 0.802 -0.166 -19.754 1.00 98.11
|
| 978 |
+
ATOM 974 CG ARG A 123 -0.244 -1.072 -19.082 1.00 98.11
|
| 979 |
+
ATOM 975 CD ARG A 123 -1.657 -0.782 -19.590 1.00 98.11
|
| 980 |
+
ATOM 976 NE ARG A 123 -2.179 0.507 -19.095 1.00 98.11
|
| 981 |
+
ATOM 977 CZ ARG A 123 -2.960 0.681 -18.041 1.00 98.11
|
| 982 |
+
ATOM 978 NH1 ARG A 123 -3.209 -0.261 -17.178 1.00 98.11
|
| 983 |
+
ATOM 979 NH2 ARG A 123 -3.534 1.834 -17.842 1.00 98.11
|
| 984 |
+
ATOM 980 N THR A 124 2.656 -2.644 -18.309 1.00 98.21
|
| 985 |
+
ATOM 981 CA THR A 124 2.895 -4.098 -18.273 1.00 98.21
|
| 986 |
+
ATOM 982 C THR A 124 1.750 -4.877 -17.623 1.00 98.21
|
| 987 |
+
ATOM 983 O THR A 124 1.733 -6.103 -17.691 1.00 98.21
|
| 988 |
+
ATOM 984 CB THR A 124 4.205 -4.422 -17.547 1.00 98.21
|
| 989 |
+
ATOM 985 OG1 THR A 124 4.212 -3.865 -16.253 1.00 98.21
|
| 990 |
+
ATOM 986 CG2 THR A 124 5.429 -3.855 -18.264 1.00 98.21
|
| 991 |
+
ATOM 987 N VAL A 125 0.786 -4.179 -17.011 1.00 98.23
|
| 992 |
+
ATOM 988 CA VAL A 125 -0.450 -4.750 -16.462 1.00 98.23
|
| 993 |
+
ATOM 989 C VAL A 125 -1.645 -4.151 -17.196 1.00 98.23
|
| 994 |
+
ATOM 990 O VAL A 125 -1.905 -2.942 -17.119 1.00 98.23
|
| 995 |
+
ATOM 991 CB VAL A 125 -0.555 -4.503 -14.947 1.00 98.23
|
| 996 |
+
ATOM 992 CG1 VAL A 125 -1.816 -5.160 -14.365 1.00 98.23
|
| 997 |
+
ATOM 993 CG2 VAL A 125 0.665 -5.056 -14.200 1.00 98.23
|
| 998 |
+
ATOM 994 N ASP A 126 -2.392 -4.998 -17.896 1.00 97.40
|
| 999 |
+
ATOM 995 CA ASP A 126 -3.565 -4.566 -18.646 1.00 97.40
|
| 1000 |
+
ATOM 996 C ASP A 126 -4.697 -4.152 -17.704 1.00 97.40
|
| 1001 |
+
ATOM 997 O ASP A 126 -4.988 -4.812 -16.703 1.00 97.40
|
| 1002 |
+
ATOM 998 CB ASP A 126 -4.052 -5.667 -19.598 1.00 97.40
|
| 1003 |
+
ATOM 999 CG ASP A 126 -3.130 -5.903 -20.795 1.00 97.40
|
| 1004 |
+
ATOM 1000 OD1 ASP A 126 -2.416 -4.947 -21.171 1.00 97.40
|
| 1005 |
+
ATOM 1001 OD2 ASP A 126 -3.240 -7.009 -21.366 1.00 97.40
|
| 1006 |
+
ATOM 1002 N THR A 127 -5.420 -3.093 -18.073 1.00 97.81
|
| 1007 |
+
ATOM 1003 CA THR A 127 -6.600 -2.619 -17.331 1.00 97.81
|
| 1008 |
+
ATOM 1004 C THR A 127 -7.612 -3.744 -17.103 1.00 97.81
|
| 1009 |
+
ATOM 1005 O THR A 127 -8.185 -3.850 -16.020 1.00 97.81
|
| 1010 |
+
ATOM 1006 CB THR A 127 -7.261 -1.477 -18.113 1.00 97.81
|
| 1011 |
+
ATOM 1007 OG1 THR A 127 -6.325 -0.445 -18.310 1.00 97.81
|
| 1012 |
+
ATOM 1008 CG2 THR A 127 -8.479 -0.864 -17.434 1.00 97.81
|
| 1013 |
+
ATOM 1009 N LYS A 128 -7.791 -4.631 -18.092 1.00 98.23
|
| 1014 |
+
ATOM 1010 CA LYS A 128 -8.690 -5.784 -17.982 1.00 98.23
|
| 1015 |
+
ATOM 1011 C LYS A 128 -8.239 -6.765 -16.892 1.00 98.23
|
| 1016 |
+
ATOM 1012 O LYS A 128 -9.071 -7.201 -16.105 1.00 98.23
|
| 1017 |
+
ATOM 1013 CB LYS A 128 -8.813 -6.473 -19.349 1.00 98.23
|
| 1018 |
+
ATOM 1014 CG LYS A 128 -9.907 -7.548 -19.306 1.00 98.23
|
| 1019 |
+
ATOM 1015 CD LYS A 128 -9.946 -8.382 -20.585 1.00 98.23
|
| 1020 |
+
ATOM 1016 CE LYS A 128 -10.960 -9.509 -20.362 1.00 98.23
|
| 1021 |
+
ATOM 1017 NZ LYS A 128 -10.606 -10.720 -21.137 1.00 98.23
|
| 1022 |
+
ATOM 1018 N GLN A 129 -6.941 -7.072 -16.807 1.00 97.89
|
| 1023 |
+
ATOM 1019 CA GLN A 129 -6.406 -7.969 -15.774 1.00 97.89
|
| 1024 |
+
ATOM 1020 C GLN A 129 -6.674 -7.411 -14.371 1.00 97.89
|
| 1025 |
+
ATOM 1021 O GLN A 129 -7.143 -8.134 -13.494 1.00 97.89
|
| 1026 |
+
ATOM 1022 CB GLN A 129 -4.894 -8.170 -15.967 1.00 97.89
|
| 1027 |
+
ATOM 1023 CG GLN A 129 -4.525 -8.961 -17.230 1.00 97.89
|
| 1028 |
+
ATOM 1024 CD GLN A 129 -3.012 -8.979 -17.434 1.00 97.89
|
| 1029 |
+
ATOM 1025 OE1 GLN A 129 -2.362 -7.952 -17.515 1.00 97.89
|
| 1030 |
+
ATOM 1026 NE2 GLN A 129 -2.386 -10.135 -17.485 1.00 97.89
|
| 1031 |
+
ATOM 1027 N ALA A 130 -6.443 -6.110 -14.172 1.00 98.54
|
| 1032 |
+
ATOM 1028 CA ALA A 130 -6.692 -5.457 -12.890 1.00 98.54
|
| 1033 |
+
ATOM 1029 C ALA A 130 -8.188 -5.379 -12.535 1.00 98.54
|
| 1034 |
+
ATOM 1030 O ALA A 130 -8.564 -5.608 -11.385 1.00 98.54
|
| 1035 |
+
ATOM 1031 CB ALA A 130 -6.030 -4.080 -12.926 1.00 98.54
|
| 1036 |
+
ATOM 1032 N GLN A 131 -9.054 -5.122 -13.519 1.00 98.62
|
| 1037 |
+
ATOM 1033 CA GLN A 131 -10.509 -5.153 -13.341 1.00 98.62
|
| 1038 |
+
ATOM 1034 C GLN A 131 -11.023 -6.548 -12.976 1.00 98.62
|
| 1039 |
+
ATOM 1035 O GLN A 131 -11.859 -6.675 -12.080 1.00 98.62
|
| 1040 |
+
ATOM 1036 CB GLN A 131 -11.196 -4.702 -14.635 1.00 98.62
|
| 1041 |
+
ATOM 1037 CG GLN A 131 -11.134 -3.185 -14.829 1.00 98.62
|
| 1042 |
+
ATOM 1038 CD GLN A 131 -11.658 -2.744 -16.190 1.00 98.62
|
| 1043 |
+
ATOM 1039 OE1 GLN A 131 -11.839 -3.510 -17.122 1.00 98.62
|
| 1044 |
+
ATOM 1040 NE2 GLN A 131 -11.938 -1.470 -16.362 1.00 98.62
|
| 1045 |
+
ATOM 1041 N ASP A 132 -10.536 -7.589 -13.653 1.00 98.64
|
| 1046 |
+
ATOM 1042 CA ASP A 132 -10.926 -8.971 -13.379 1.00 98.64
|
| 1047 |
+
ATOM 1043 C ASP A 132 -10.460 -9.400 -11.976 1.00 98.64
|
| 1048 |
+
ATOM 1044 O ASP A 132 -11.238 -10.008 -11.235 1.00 98.64
|
| 1049 |
+
ATOM 1045 CB ASP A 132 -10.408 -9.900 -14.498 1.00 98.64
|
| 1050 |
+
ATOM 1046 CG ASP A 132 -11.176 -9.773 -15.833 1.00 98.64
|
| 1051 |
+
ATOM 1047 OD1 ASP A 132 -12.362 -9.344 -15.818 1.00 98.64
|
| 1052 |
+
ATOM 1048 OD2 ASP A 132 -10.622 -10.178 -16.885 1.00 98.64
|
| 1053 |
+
ATOM 1049 N LEU A 133 -9.256 -8.989 -11.553 1.00 98.47
|
| 1054 |
+
ATOM 1050 CA LEU A 133 -8.772 -9.204 -10.186 1.00 98.47
|
| 1055 |
+
ATOM 1051 C LEU A 133 -9.659 -8.498 -9.149 1.00 98.47
|
| 1056 |
+
ATOM 1052 O LEU A 133 -10.126 -9.134 -8.204 1.00 98.47
|
| 1057 |
+
ATOM 1053 CB LEU A 133 -7.307 -8.744 -10.069 1.00 98.47
|
| 1058 |
+
ATOM 1054 CG LEU A 133 -6.688 -9.032 -8.686 1.00 98.47
|
| 1059 |
+
ATOM 1055 CD1 LEU A 133 -6.555 -10.535 -8.440 1.00 98.47
|
| 1060 |
+
ATOM 1056 CD2 LEU A 133 -5.303 -8.401 -8.568 1.00 98.47
|
| 1061 |
+
ATOM 1057 N ALA A 134 -9.944 -7.208 -9.332 1.00 98.68
|
| 1062 |
+
ATOM 1058 CA ALA A 134 -10.796 -6.453 -8.413 1.00 98.68
|
| 1063 |
+
ATOM 1059 C ALA A 134 -12.210 -7.045 -8.311 1.00 98.68
|
| 1064 |
+
ATOM 1060 O ALA A 134 -12.743 -7.182 -7.209 1.00 98.68
|
| 1065 |
+
ATOM 1061 CB ALA A 134 -10.834 -5.006 -8.884 1.00 98.68
|
| 1066 |
+
ATOM 1062 N ARG A 135 -12.779 -7.494 -9.441 1.00 98.38
|
| 1067 |
+
ATOM 1063 CA ARG A 135 -14.060 -8.214 -9.473 1.00 98.38
|
| 1068 |
+
ATOM 1064 C ARG A 135 -13.990 -9.515 -8.675 1.00 98.38
|
| 1069 |
+
ATOM 1065 O ARG A 135 -14.912 -9.788 -7.915 1.00 98.38
|
| 1070 |
+
ATOM 1066 CB ARG A 135 -14.480 -8.474 -10.930 1.00 98.38
|
| 1071 |
+
ATOM 1067 CG ARG A 135 -15.921 -9.010 -11.025 1.00 98.38
|
| 1072 |
+
ATOM 1068 CD ARG A 135 -16.297 -9.458 -12.445 1.00 98.38
|
| 1073 |
+
ATOM 1069 NE ARG A 135 -16.200 -8.358 -13.430 1.00 98.38
|
| 1074 |
+
ATOM 1070 CZ ARG A 135 -15.545 -8.389 -14.580 1.00 98.38
|
| 1075 |
+
ATOM 1071 NH1 ARG A 135 -15.013 -9.474 -15.057 1.00 98.38
|
| 1076 |
+
ATOM 1072 NH2 ARG A 135 -15.375 -7.307 -15.279 1.00 98.38
|
| 1077 |
+
ATOM 1073 N SER A 136 -12.909 -10.287 -8.811 1.00 97.90
|
| 1078 |
+
ATOM 1074 CA SER A 136 -12.719 -11.533 -8.051 1.00 97.90
|
| 1079 |
+
ATOM 1075 C SER A 136 -12.631 -11.300 -6.538 1.00 97.90
|
| 1080 |
+
ATOM 1076 O SER A 136 -13.073 -12.137 -5.756 1.00 97.90
|
| 1081 |
+
ATOM 1077 CB SER A 136 -11.487 -12.294 -8.557 1.00 97.90
|
| 1082 |
+
ATOM 1078 OG SER A 136 -10.274 -11.774 -8.051 1.00 97.90
|
| 1083 |
+
ATOM 1079 N TYR A 137 -12.118 -10.140 -6.121 1.00 97.87
|
| 1084 |
+
ATOM 1080 CA TYR A 137 -12.059 -9.729 -4.719 1.00 97.87
|
| 1085 |
+
ATOM 1081 C TYR A 137 -13.322 -9.023 -4.224 1.00 97.87
|
| 1086 |
+
ATOM 1082 O TYR A 137 -13.450 -8.837 -3.016 1.00 97.87
|
| 1087 |
+
ATOM 1083 CB TYR A 137 -10.817 -8.851 -4.519 1.00 97.87
|
| 1088 |
+
ATOM 1084 CG TYR A 137 -9.471 -9.538 -4.676 1.00 97.87
|
| 1089 |
+
ATOM 1085 CD1 TYR A 137 -9.330 -10.936 -4.527 1.00 97.87
|
| 1090 |
+
ATOM 1086 CD2 TYR A 137 -8.332 -8.750 -4.936 1.00 97.87
|
| 1091 |
+
ATOM 1087 CE1 TYR A 137 -8.063 -11.534 -4.616 1.00 97.87
|
| 1092 |
+
ATOM 1088 CE2 TYR A 137 -7.061 -9.348 -5.033 1.00 97.87
|
| 1093 |
+
ATOM 1089 CZ TYR A 137 -6.927 -10.743 -4.865 1.00 97.87
|
| 1094 |
+
ATOM 1090 OH TYR A 137 -5.706 -11.334 -4.931 1.00 97.87
|
| 1095 |
+
ATOM 1091 N GLY A 138 -14.234 -8.642 -5.121 1.00 97.88
|
| 1096 |
+
ATOM 1092 CA GLY A 138 -15.443 -7.895 -4.782 1.00 97.88
|
| 1097 |
+
ATOM 1093 C GLY A 138 -15.178 -6.446 -4.366 1.00 97.88
|
| 1098 |
+
ATOM 1094 O GLY A 138 -15.933 -5.917 -3.557 1.00 97.88
|
| 1099 |
+
ATOM 1095 N ILE A 139 -14.118 -5.814 -4.886 1.00 98.60
|
| 1100 |
+
ATOM 1096 CA ILE A 139 -13.705 -4.452 -4.504 1.00 98.60
|
| 1101 |
+
ATOM 1097 C ILE A 139 -13.647 -3.508 -5.716 1.00 98.60
|
| 1102 |
+
ATOM 1098 O ILE A 139 -13.465 -3.971 -6.846 1.00 98.60
|
| 1103 |
+
ATOM 1099 CB ILE A 139 -12.374 -4.459 -3.717 1.00 98.60
|
| 1104 |
+
ATOM 1100 CG1 ILE A 139 -11.174 -4.894 -4.588 1.00 98.60
|
| 1105 |
+
ATOM 1101 CG2 ILE A 139 -12.538 -5.322 -2.452 1.00 98.60
|
| 1106 |
+
ATOM 1102 CD1 ILE A 139 -9.829 -4.886 -3.852 1.00 98.60
|
| 1107 |
+
ATOM 1103 N PRO A 140 -13.765 -2.181 -5.523 1.00 98.74
|
| 1108 |
+
ATOM 1104 CA PRO A 140 -13.578 -1.213 -6.599 1.00 98.74
|
| 1109 |
+
ATOM 1105 C PRO A 140 -12.147 -1.213 -7.154 1.00 98.74
|
| 1110 |
+
ATOM 1106 O PRO A 140 -11.182 -1.448 -6.425 1.00 98.74
|
| 1111 |
+
ATOM 1107 CB PRO A 140 -13.955 0.150 -6.007 1.00 98.74
|
| 1112 |
+
ATOM 1108 CG PRO A 140 -14.847 -0.206 -4.818 1.00 98.74
|
| 1113 |
+
ATOM 1109 CD PRO A 140 -14.230 -1.505 -4.319 1.00 98.74
|
| 1114 |
+
ATOM 1110 N PHE A 141 -12.013 -0.872 -8.438 1.00 98.80
|
| 1115 |
+
ATOM 1111 CA PHE A 141 -10.732 -0.623 -9.100 1.00 98.80
|
| 1116 |
+
ATOM 1112 C PHE A 141 -10.685 0.785 -9.689 1.00 98.80
|
| 1117 |
+
ATOM 1113 O PHE A 141 -11.616 1.203 -10.384 1.00 98.80
|
| 1118 |
+
ATOM 1114 CB PHE A 141 -10.477 -1.664 -10.190 1.00 98.80
|
| 1119 |
+
ATOM 1115 CG PHE A 141 -9.278 -1.366 -11.071 1.00 98.80
|
| 1120 |
+
ATOM 1116 CD1 PHE A 141 -9.451 -1.182 -12.452 1.00 98.80
|
| 1121 |
+
ATOM 1117 CD2 PHE A 141 -7.994 -1.246 -10.510 1.00 98.80
|
| 1122 |
+
ATOM 1118 CE1 PHE A 141 -8.342 -0.932 -13.276 1.00 98.80
|
| 1123 |
+
ATOM 1119 CE2 PHE A 141 -6.888 -0.965 -11.329 1.00 98.80
|
| 1124 |
+
ATOM 1120 CZ PHE A 141 -7.059 -0.831 -12.716 1.00 98.80
|
| 1125 |
+
ATOM 1121 N ILE A 142 -9.592 1.505 -9.431 1.00 98.79
|
| 1126 |
+
ATOM 1122 CA ILE A 142 -9.360 2.857 -9.944 1.00 98.79
|
| 1127 |
+
ATOM 1123 C ILE A 142 -7.933 2.946 -10.487 1.00 98.79
|
| 1128 |
+
ATOM 1124 O ILE A 142 -6.967 2.663 -9.783 1.00 98.79
|
| 1129 |
+
ATOM 1125 CB ILE A 142 -9.668 3.912 -8.849 1.00 98.79
|
| 1130 |
+
ATOM 1126 CG1 ILE A 142 -11.165 3.824 -8.461 1.00 98.79
|
| 1131 |
+
ATOM 1127 CG2 ILE A 142 -9.342 5.333 -9.349 1.00 98.79
|
| 1132 |
+
ATOM 1128 CD1 ILE A 142 -11.618 4.705 -7.300 1.00 98.79
|
| 1133 |
+
ATOM 1129 N GLU A 143 -7.793 3.366 -11.744 1.00 98.76
|
| 1134 |
+
ATOM 1130 CA GLU A 143 -6.495 3.779 -12.278 1.00 98.76
|
| 1135 |
+
ATOM 1131 C GLU A 143 -6.216 5.234 -11.907 1.00 98.76
|
| 1136 |
+
ATOM 1132 O GLU A 143 -7.090 6.096 -12.052 1.00 98.76
|
| 1137 |
+
ATOM 1133 CB GLU A 143 -6.393 3.573 -13.795 1.00 98.76
|
| 1138 |
+
ATOM 1134 CG GLU A 143 -6.766 2.139 -14.196 1.00 98.76
|
| 1139 |
+
ATOM 1135 CD GLU A 143 -6.092 1.664 -15.492 1.00 98.76
|
| 1140 |
+
ATOM 1136 OE1 GLU A 143 -5.923 2.479 -16.431 1.00 98.76
|
| 1141 |
+
ATOM 1137 OE2 GLU A 143 -5.762 0.470 -15.628 1.00 98.76
|
| 1142 |
+
ATOM 1138 N THR A 144 -5.000 5.495 -11.436 1.00 98.82
|
| 1143 |
+
ATOM 1139 CA THR A 144 -4.576 6.810 -10.956 1.00 98.82
|
| 1144 |
+
ATOM 1140 C THR A 144 -3.241 7.221 -11.548 1.00 98.82
|
| 1145 |
+
ATOM 1141 O THR A 144 -2.382 6.399 -11.874 1.00 98.82
|
| 1146 |
+
ATOM 1142 CB THR A 144 -4.474 6.878 -9.421 1.00 98.82
|
| 1147 |
+
ATOM 1143 OG1 THR A 144 -3.355 6.159 -8.945 1.00 98.82
|
| 1148 |
+
ATOM 1144 CG2 THR A 144 -5.715 6.326 -8.729 1.00 98.82
|
| 1149 |
+
ATOM 1145 N SER A 145 -3.021 8.528 -11.585 1.00 98.44
|
| 1150 |
+
ATOM 1146 CA SER A 145 -1.695 9.096 -11.774 1.00 98.44
|
| 1151 |
+
ATOM 1147 C SER A 145 -1.469 10.145 -10.700 1.00 98.44
|
| 1152 |
+
ATOM 1148 O SER A 145 -2.070 11.220 -10.723 1.00 98.44
|
| 1153 |
+
ATOM 1149 CB SER A 145 -1.566 9.669 -13.181 1.00 98.44
|
| 1154 |
+
ATOM 1150 OG SER A 145 -0.393 10.453 -13.291 1.00 98.44
|
| 1155 |
+
ATOM 1151 N ALA A 146 -0.575 9.840 -9.757 1.00 98.03
|
| 1156 |
+
ATOM 1152 CA ALA A 146 -0.110 10.833 -8.794 1.00 98.03
|
| 1157 |
+
ATOM 1153 C ALA A 146 0.520 12.043 -9.507 1.00 98.03
|
| 1158 |
+
ATOM 1154 O ALA A 146 0.312 13.172 -9.078 1.00 98.03
|
| 1159 |
+
ATOM 1155 CB ALA A 146 0.878 10.173 -7.830 1.00 98.03
|
| 1160 |
+
ATOM 1156 N LYS A 147 1.208 11.828 -10.638 1.00 97.40
|
| 1161 |
+
ATOM 1157 CA LYS A 147 1.873 12.881 -11.419 1.00 97.40
|
| 1162 |
+
ATOM 1158 C LYS A 147 0.899 13.899 -12.006 1.00 97.40
|
| 1163 |
+
ATOM 1159 O LYS A 147 1.114 15.099 -11.890 1.00 97.40
|
| 1164 |
+
ATOM 1160 CB LYS A 147 2.726 12.214 -12.507 1.00 97.40
|
| 1165 |
+
ATOM 1161 CG LYS A 147 3.556 13.239 -13.289 1.00 97.40
|
| 1166 |
+
ATOM 1162 CD LYS A 147 4.482 12.518 -14.269 1.00 97.40
|
| 1167 |
+
ATOM 1163 CE LYS A 147 5.394 13.524 -14.971 1.00 97.40
|
| 1168 |
+
ATOM 1164 NZ LYS A 147 6.458 12.819 -15.724 1.00 97.40
|
| 1169 |
+
ATOM 1165 N THR A 148 -0.185 13.427 -12.618 1.00 97.20
|
| 1170 |
+
ATOM 1166 CA THR A 148 -1.185 14.289 -13.281 1.00 97.20
|
| 1171 |
+
ATOM 1167 C THR A 148 -2.393 14.599 -12.397 1.00 97.20
|
| 1172 |
+
ATOM 1168 O THR A 148 -3.336 15.250 -12.843 1.00 97.20
|
| 1173 |
+
ATOM 1169 CB THR A 148 -1.650 13.682 -14.610 1.00 97.20
|
| 1174 |
+
ATOM 1170 OG1 THR A 148 -2.298 12.465 -14.358 1.00 97.20
|
| 1175 |
+
ATOM 1171 CG2 THR A 148 -0.497 13.403 -15.575 1.00 97.20
|
| 1176 |
+
ATOM 1172 N ARG A 149 -2.391 14.112 -11.147 1.00 97.39
|
| 1177 |
+
ATOM 1173 CA ARG A 149 -3.523 14.135 -10.205 1.00 97.39
|
| 1178 |
+
ATOM 1174 C ARG A 149 -4.768 13.384 -10.708 1.00 97.39
|
| 1179 |
+
ATOM 1175 O ARG A 149 -5.828 13.446 -10.085 1.00 97.39
|
| 1180 |
+
ATOM 1176 CB ARG A 149 -3.770 15.590 -9.759 1.00 97.39
|
| 1181 |
+
ATOM 1177 CG ARG A 149 -4.170 15.751 -8.286 1.00 97.39
|
| 1182 |
+
ATOM 1178 CD ARG A 149 -5.453 16.569 -8.172 1.00 97.39
|
| 1183 |
+
ATOM 1179 NE ARG A 149 -5.289 17.900 -8.785 1.00 97.39
|
| 1184 |
+
ATOM 1180 CZ ARG A 149 -5.883 18.330 -9.879 1.00 97.39
|
| 1185 |
+
ATOM 1181 NH1 ARG A 149 -6.668 17.548 -10.573 1.00 97.39
|
| 1186 |
+
ATOM 1182 NH2 ARG A 149 -5.730 19.554 -10.297 1.00 97.39
|
| 1187 |
+
ATOM 1183 N GLN A 150 -4.657 12.611 -11.789 1.00 98.49
|
| 1188 |
+
ATOM 1184 CA GLN A 150 -5.775 11.850 -12.334 1.00 98.49
|
| 1189 |
+
ATOM 1185 C GLN A 150 -6.335 10.887 -11.281 1.00 98.49
|
| 1190 |
+
ATOM 1186 O GLN A 150 -5.647 9.965 -10.837 1.00 98.49
|
| 1191 |
+
ATOM 1187 CB GLN A 150 -5.333 11.114 -13.604 1.00 98.49
|
| 1192 |
+
ATOM 1188 CG GLN A 150 -5.335 12.025 -14.839 1.00 98.49
|
| 1193 |
+
ATOM 1189 CD GLN A 150 -4.833 11.326 -16.097 1.00 98.49
|
| 1194 |
+
ATOM 1190 OE1 GLN A 150 -3.920 11.753 -16.773 1.00 98.49
|
| 1195 |
+
ATOM 1191 NE2 GLN A 150 -5.407 10.200 -16.460 1.00 98.49
|
| 1196 |
+
ATOM 1192 N GLY A 151 -7.604 11.116 -10.912 1.00 98.43
|
| 1197 |
+
ATOM 1193 CA GLY A 151 -8.427 10.262 -10.038 1.00 98.43
|
| 1198 |
+
ATOM 1194 C GLY A 151 -7.827 9.970 -8.657 1.00 98.43
|
| 1199 |
+
ATOM 1195 O GLY A 151 -8.217 9.003 -8.009 1.00 98.43
|
| 1200 |
+
ATOM 1196 N VAL A 152 -6.912 10.820 -8.184 1.00 98.50
|
| 1201 |
+
ATOM 1197 CA VAL A 152 -6.326 10.684 -6.842 1.00 98.50
|
| 1202 |
+
ATOM 1198 C VAL A 152 -7.420 10.796 -5.781 1.00 98.50
|
| 1203 |
+
ATOM 1199 O VAL A 152 -7.572 9.889 -4.975 1.00 98.50
|
| 1204 |
+
ATOM 1200 CB VAL A 152 -5.192 11.702 -6.616 1.00 98.50
|
| 1205 |
+
ATOM 1201 CG1 VAL A 152 -4.630 11.634 -5.191 1.00 98.50
|
| 1206 |
+
ATOM 1202 CG2 VAL A 152 -4.044 11.428 -7.595 1.00 98.50
|
| 1207 |
+
ATOM 1203 N ASP A 153 -8.244 11.847 -5.824 1.00 97.98
|
| 1208 |
+
ATOM 1204 CA ASP A 153 -9.364 12.019 -4.885 1.00 97.98
|
| 1209 |
+
ATOM 1205 C ASP A 153 -10.383 10.877 -4.982 1.00 97.98
|
| 1210 |
+
ATOM 1206 O ASP A 153 -10.781 10.332 -3.953 1.00 97.98
|
| 1211 |
+
ATOM 1207 CB ASP A 153 -10.044 13.376 -5.119 1.00 97.98
|
| 1212 |
+
ATOM 1208 CG ASP A 153 -10.778 13.433 -6.442 1.00 97.98
|
| 1213 |
+
ATOM 1209 OD1 ASP A 153 -10.289 12.835 -7.423 1.00 97.98
|
| 1214 |
+
ATOM 1210 OD2 ASP A 153 -11.844 14.080 -6.498 1.00 97.98
|
| 1215 |
+
ATOM 1211 N ASP A 154 -10.731 10.447 -6.202 1.00 98.50
|
| 1216 |
+
ATOM 1212 CA ASP A 154 -11.654 9.331 -6.433 1.00 98.50
|
| 1217 |
+
ATOM 1213 C ASP A 154 -11.234 8.067 -5.677 1.00 98.50
|
| 1218 |
+
ATOM 1214 O ASP A 154 -12.095 7.392 -5.112 1.00 98.50
|
| 1219 |
+
ATOM 1215 CB ASP A 154 -11.725 8.945 -7.919 1.00 98.50
|
| 1220 |
+
ATOM 1216 CG ASP A 154 -13.059 8.418 -8.432 1.00 98.50
|
| 1221 |
+
ATOM 1217 OD1 ASP A 154 -13.673 7.568 -7.757 1.00 98.50
|
| 1222 |
+
ATOM 1218 OD2 ASP A 154 -13.421 8.894 -9.538 1.00 98.50
|
| 1223 |
+
ATOM 1219 N ALA A 155 -9.936 7.743 -5.654 1.00 98.81
|
| 1224 |
+
ATOM 1220 CA ALA A 155 -9.417 6.551 -4.988 1.00 98.81
|
| 1225 |
+
ATOM 1221 C ALA A 155 -9.699 6.573 -3.477 1.00 98.81
|
| 1226 |
+
ATOM 1222 O ALA A 155 -10.319 5.650 -2.941 1.00 98.81
|
| 1227 |
+
ATOM 1223 CB ALA A 155 -7.927 6.409 -5.320 1.00 98.81
|
| 1228 |
+
ATOM 1224 N PHE A 156 -9.328 7.663 -2.802 1.00 98.70
|
| 1229 |
+
ATOM 1225 CA PHE A 156 -9.551 7.816 -1.362 1.00 98.70
|
| 1230 |
+
ATOM 1226 C PHE A 156 -11.039 7.973 -1.021 1.00 98.70
|
| 1231 |
+
ATOM 1227 O PHE A 156 -11.512 7.412 -0.033 1.00 98.70
|
| 1232 |
+
ATOM 1228 CB PHE A 156 -8.742 9.008 -0.836 1.00 98.70
|
| 1233 |
+
ATOM 1229 CG PHE A 156 -7.241 8.780 -0.821 1.00 98.70
|
| 1234 |
+
ATOM 1230 CD1 PHE A 156 -6.603 8.298 0.336 1.00 98.70
|
| 1235 |
+
ATOM 1231 CD2 PHE A 156 -6.463 9.102 -1.946 1.00 98.70
|
| 1236 |
+
ATOM 1232 CE1 PHE A 156 -5.205 8.138 0.359 1.00 98.70
|
| 1237 |
+
ATOM 1233 CE2 PHE A 156 -5.067 8.949 -1.927 1.00 98.70
|
| 1238 |
+
ATOM 1234 CZ PHE A 156 -4.435 8.465 -0.770 1.00 98.70
|
| 1239 |
+
ATOM 1235 N TYR A 157 -11.806 8.697 -1.838 1.00 98.60
|
| 1240 |
+
ATOM 1236 CA TYR A 157 -13.227 8.937 -1.569 1.00 98.60
|
| 1241 |
+
ATOM 1237 C TYR A 157 -14.060 7.678 -1.796 1.00 98.60
|
| 1242 |
+
ATOM 1238 O TYR A 157 -14.993 7.408 -1.043 1.00 98.60
|
| 1243 |
+
ATOM 1239 CB TYR A 157 -13.738 10.100 -2.427 1.00 98.60
|
| 1244 |
+
ATOM 1240 CG TYR A 157 -13.287 11.498 -2.029 1.00 98.60
|
| 1245 |
+
ATOM 1241 CD1 TYR A 157 -12.102 11.731 -1.293 1.00 98.60
|
| 1246 |
+
ATOM 1242 CD2 TYR A 157 -14.086 12.594 -2.410 1.00 98.60
|
| 1247 |
+
ATOM 1243 CE1 TYR A 157 -11.720 13.038 -0.948 1.00 98.60
|
| 1248 |
+
ATOM 1244 CE2 TYR A 157 -13.715 13.905 -2.053 1.00 98.60
|
| 1249 |
+
ATOM 1245 CZ TYR A 157 -12.531 14.126 -1.325 1.00 98.60
|
| 1250 |
+
ATOM 1246 OH TYR A 157 -12.166 15.385 -0.972 1.00 98.60
|
| 1251 |
+
ATOM 1247 N THR A 158 -13.700 6.864 -2.790 1.00 98.83
|
| 1252 |
+
ATOM 1248 CA THR A 158 -14.302 5.539 -2.981 1.00 98.83
|
| 1253 |
+
ATOM 1249 C THR A 158 -14.037 4.648 -1.775 1.00 98.83
|
| 1254 |
+
ATOM 1250 O THR A 158 -14.969 4.018 -1.287 1.00 98.83
|
| 1255 |
+
ATOM 1251 CB THR A 158 -13.800 4.887 -4.272 1.00 98.83
|
| 1256 |
+
ATOM 1252 OG1 THR A 158 -14.161 5.733 -5.339 1.00 98.83
|
| 1257 |
+
ATOM 1253 CG2 THR A 158 -14.433 3.526 -4.542 1.00 98.83
|
| 1258 |
+
ATOM 1254 N LEU A 159 -12.826 4.671 -1.210 1.00 98.84
|
| 1259 |
+
ATOM 1255 CA LEU A 159 -12.536 3.911 0.006 1.00 98.84
|
| 1260 |
+
ATOM 1256 C LEU A 159 -13.385 4.368 1.204 1.00 98.84
|
| 1261 |
+
ATOM 1257 O LEU A 159 -13.906 3.531 1.940 1.00 98.84
|
| 1262 |
+
ATOM 1258 CB LEU A 159 -11.033 3.993 0.302 1.00 98.84
|
| 1263 |
+
ATOM 1259 CG LEU A 159 -10.615 3.173 1.533 1.00 98.84
|
| 1264 |
+
ATOM 1260 CD1 LEU A 159 -10.919 1.685 1.342 1.00 98.84
|
| 1265 |
+
ATOM 1261 CD2 LEU A 159 -9.118 3.347 1.764 1.00 98.84
|
| 1266 |
+
ATOM 1262 N VAL A 160 -13.596 5.678 1.377 1.00 98.72
|
| 1267 |
+
ATOM 1263 CA VAL A 160 -14.516 6.192 2.409 1.00 98.72
|
| 1268 |
+
ATOM 1264 C VAL A 160 -15.935 5.652 2.208 1.00 98.72
|
| 1269 |
+
ATOM 1265 O VAL A 160 -16.579 5.236 3.174 1.00 98.72
|
| 1270 |
+
ATOM 1266 CB VAL A 160 -14.508 7.733 2.450 1.00 98.72
|
| 1271 |
+
ATOM 1267 CG1 VAL A 160 -15.574 8.282 3.409 1.00 98.72
|
| 1272 |
+
ATOM 1268 CG2 VAL A 160 -13.125 8.255 2.876 1.00 98.72
|
| 1273 |
+
ATOM 1269 N ARG A 161 -16.426 5.599 0.964 1.00 98.66
|
| 1274 |
+
ATOM 1270 CA ARG A 161 -17.745 5.020 0.648 1.00 98.66
|
| 1275 |
+
ATOM 1271 C ARG A 161 -17.816 3.529 0.976 1.00 98.66
|
| 1276 |
+
ATOM 1272 O ARG A 161 -18.824 3.098 1.533 1.00 98.66
|
| 1277 |
+
ATOM 1273 CB ARG A 161 -18.113 5.278 -0.818 1.00 98.66
|
| 1278 |
+
ATOM 1274 CG ARG A 161 -18.330 6.769 -1.104 1.00 98.66
|
| 1279 |
+
ATOM 1275 CD ARG A 161 -18.554 6.985 -2.601 1.00 98.66
|
| 1280 |
+
ATOM 1276 NE ARG A 161 -18.521 8.418 -2.925 1.00 98.66
|
| 1281 |
+
ATOM 1277 CZ ARG A 161 -17.671 9.052 -3.707 1.00 98.66
|
| 1282 |
+
ATOM 1278 NH1 ARG A 161 -16.667 8.458 -4.302 1.00 98.66
|
| 1283 |
+
ATOM 1279 NH2 ARG A 161 -17.832 10.323 -3.907 1.00 98.66
|
| 1284 |
+
ATOM 1280 N GLU A 162 -16.755 2.766 0.723 1.00 98.61
|
| 1285 |
+
ATOM 1281 CA GLU A 162 -16.681 1.351 1.112 1.00 98.61
|
| 1286 |
+
ATOM 1282 C GLU A 162 -16.723 1.176 2.641 1.00 98.61
|
| 1287 |
+
ATOM 1283 O GLU A 162 -17.472 0.339 3.150 1.00 98.61
|
| 1288 |
+
ATOM 1284 CB GLU A 162 -15.421 0.692 0.519 1.00 98.61
|
| 1289 |
+
ATOM 1285 CG GLU A 162 -15.454 0.566 -1.012 1.00 98.61
|
| 1290 |
+
ATOM 1286 CD GLU A 162 -16.683 -0.219 -1.484 1.00 98.61
|
| 1291 |
+
ATOM 1287 OE1 GLU A 162 -17.610 0.419 -2.041 1.00 98.61
|
| 1292 |
+
ATOM 1288 OE2 GLU A 162 -16.720 -1.438 -1.218 1.00 98.61
|
| 1293 |
+
ATOM 1289 N ILE A 163 -16.011 2.020 3.402 1.00 98.49
|
| 1294 |
+
ATOM 1290 CA ILE A 163 -16.067 2.005 4.876 1.00 98.49
|
| 1295 |
+
ATOM 1291 C ILE A 163 -17.483 2.329 5.373 1.00 98.49
|
| 1296 |
+
ATOM 1292 O ILE A 163 -17.999 1.646 6.263 1.00 98.49
|
| 1297 |
+
ATOM 1293 CB ILE A 163 -15.026 2.965 5.499 1.00 98.49
|
| 1298 |
+
ATOM 1294 CG1 ILE A 163 -13.586 2.521 5.160 1.00 98.49
|
| 1299 |
+
ATOM 1295 CG2 ILE A 163 -15.202 3.010 7.033 1.00 98.49
|
| 1300 |
+
ATOM 1296 CD1 ILE A 163 -12.540 3.607 5.440 1.00 98.49
|
| 1301 |
+
ATOM 1297 N ARG A 164 -18.145 3.337 4.788 1.00 97.84
|
| 1302 |
+
ATOM 1298 CA ARG A 164 -19.541 3.684 5.108 1.00 97.84
|
| 1303 |
+
ATOM 1299 C ARG A 164 -20.474 2.493 4.879 1.00 97.84
|
| 1304 |
+
ATOM 1300 O ARG A 164 -21.231 2.135 5.781 1.00 97.84
|
| 1305 |
+
ATOM 1301 CB ARG A 164 -19.999 4.889 4.271 1.00 97.84
|
| 1306 |
+
ATOM 1302 CG ARG A 164 -19.390 6.227 4.715 1.00 97.84
|
| 1307 |
+
ATOM 1303 CD ARG A 164 -19.709 7.299 3.663 1.00 97.84
|
| 1308 |
+
ATOM 1304 NE ARG A 164 -19.322 8.642 4.111 1.00 97.84
|
| 1309 |
+
ATOM 1305 CZ ARG A 164 -19.258 9.739 3.377 1.00 97.84
|
| 1310 |
+
ATOM 1306 NH1 ARG A 164 -19.503 9.790 2.098 1.00 97.84
|
| 1311 |
+
ATOM 1307 NH2 ARG A 164 -18.970 10.863 3.937 1.00 97.84
|
| 1312 |
+
ATOM 1308 OXT ARG A 164 -20.406 1.904 3.774 1.00 97.84
|
6quw/6quw_af2_holo_ligand.sdf
ADDED
|
@@ -0,0 +1,41 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
|
| 2 |
+
RDKit 3D
|
| 3 |
+
|
| 4 |
+
16 18 0 0 0 0 0 0 0 0999 V2000
|
| 5 |
+
-4.7607 5.5597 14.4439 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 6 |
+
-3.3569 6.0970 14.7205 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 7 |
+
-3.3154 6.5527 16.1773 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 8 |
+
-2.2628 5.0553 14.4272 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 9 |
+
-1.7543 5.3135 12.9770 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 10 |
+
-0.3437 4.7331 12.7996 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 11 |
+
-2.6928 4.7660 11.9276 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 12 |
+
-3.2129 3.4877 11.7613 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 13 |
+
-4.1297 3.2498 10.7456 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 14 |
+
-4.5341 4.2756 9.9012 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 15 |
+
-4.0470 5.5656 10.0694 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 16 |
+
-3.1326 5.7966 11.0982 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 17 |
+
-2.5316 7.0031 11.4509 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 18 |
+
-1.9457 6.8600 12.7794 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 19 |
+
-0.7365 7.7641 12.9427 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 20 |
+
-3.0204 7.2551 13.7772 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 21 |
+
5 4 1 0
|
| 22 |
+
4 2 1 0
|
| 23 |
+
5 6 1 0
|
| 24 |
+
12 11 2 0
|
| 25 |
+
7 12 1 0
|
| 26 |
+
12 13 1 0
|
| 27 |
+
8 9 1 0
|
| 28 |
+
7 8 2 0
|
| 29 |
+
14 15 1 0
|
| 30 |
+
9 10 2 0
|
| 31 |
+
2 1 1 0
|
| 32 |
+
5 7 1 0
|
| 33 |
+
5 14 1 0
|
| 34 |
+
2 3 1 0
|
| 35 |
+
2 16 1 0
|
| 36 |
+
11 10 1 0
|
| 37 |
+
14 13 1 0
|
| 38 |
+
14 16 1 0
|
| 39 |
+
M CHG 1 16 1
|
| 40 |
+
M END
|
| 41 |
+
$$$$
|
6quw/6quw_af2_holo_protein.pdb
ADDED
|
The diff for this file is too large to render.
See raw diff
|
|
|
6qw8/6qw8_af2_apo_protein.pdb
ADDED
|
The diff for this file is too large to render.
See raw diff
|
|
|
6qw8/6qw8_af2_holo_ligand.sdf
ADDED
|
@@ -0,0 +1,54 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
|
| 2 |
+
RDKit 3D
|
| 3 |
+
|
| 4 |
+
23 24 0 0 0 0 0 0 0 0999 V2000
|
| 5 |
+
3.2007 -5.2306 6.8604 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 6 |
+
2.8160 -4.5257 7.8277 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 7 |
+
3.2064 -4.8094 9.0870 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 8 |
+
3.0311 -3.8796 10.1835 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 9 |
+
4.3862 -3.1694 10.2655 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 10 |
+
4.6788 -2.6329 8.8842 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 11 |
+
6.0108 -2.3217 8.7709 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 12 |
+
6.1359 -1.7702 7.2363 S 0 0 0 0 0 0 0 0 0 0 0 0
|
| 13 |
+
7.0625 -2.6527 6.6164 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 14 |
+
4.7744 -1.9608 6.8741 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 15 |
+
6.4683 -0.4009 7.4278 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 16 |
+
5.4970 -4.2207 10.6063 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 17 |
+
5.4727 -5.4479 9.6569 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 18 |
+
4.0464 -5.9235 9.3858 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 19 |
+
3.5144 -6.7513 10.5359 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 20 |
+
2.4625 -6.4301 11.1387 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 21 |
+
4.1019 -7.8770 10.9061 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 22 |
+
3.5428 -8.6930 11.9758 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 23 |
+
4.1792 -10.0852 12.0345 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 24 |
+
3.4191 -10.9787 13.0272 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 25 |
+
3.4070 -10.3928 14.4101 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 26 |
+
3.0172 -8.9235 14.4740 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 27 |
+
3.6845 -8.0421 13.3800 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 28 |
+
12 13 1 0
|
| 29 |
+
5 12 1 0
|
| 30 |
+
19 20 1 0
|
| 31 |
+
20 21 1 0
|
| 32 |
+
23 22 1 0
|
| 33 |
+
22 21 1 0
|
| 34 |
+
5 4 1 0
|
| 35 |
+
4 3 1 0
|
| 36 |
+
3 2 1 0
|
| 37 |
+
2 1 2 0
|
| 38 |
+
13 14 1 0
|
| 39 |
+
14 15 1 0
|
| 40 |
+
3 14 1 0
|
| 41 |
+
18 19 1 0
|
| 42 |
+
18 23 1 0
|
| 43 |
+
17 18 1 0
|
| 44 |
+
15 17 1 0
|
| 45 |
+
15 16 2 0
|
| 46 |
+
6 5 1 0
|
| 47 |
+
7 6 1 0
|
| 48 |
+
8 9 2 0
|
| 49 |
+
8 10 2 0
|
| 50 |
+
8 11 1 0
|
| 51 |
+
7 8 1 0
|
| 52 |
+
M CHG 2 6 1 21 1
|
| 53 |
+
M END
|
| 54 |
+
$$$$
|
6qw8/6qw8_af2_holo_protein.pdb
ADDED
|
The diff for this file is too large to render.
See raw diff
|
|
|