Add batch 29
Browse files- 6s56/6s56_af2_apo_protein.pdb +1071 -0
- 6s56/6s56_af2_holo_ligand.sdf +75 -0
- 6s56/6s56_af2_holo_protein.pdb +0 -0
- 6s57/6s57_af2_apo_protein.pdb +1071 -0
- 6s57/6s57_af2_holo_ligand.sdf +68 -0
- 6s57/6s57_af2_holo_protein.pdb +0 -0
- 6s9w/6s9w_af2_apo_protein.pdb +0 -0
- 6s9w/6s9w_af2_holo_ligand.sdf +96 -0
- 6s9w/6s9w_af2_holo_protein.pdb +0 -0
- 6s9x/6s9x_af2_apo_protein.pdb +0 -0
- 6s9x/6s9x_af2_holo_ligand.sdf +111 -0
- 6s9x/6s9x_af2_holo_protein.pdb +0 -0
- 6sen/6sen_af2_apo_protein.pdb +0 -0
- 6sen/6sen_af2_holo_ligand.sdf +288 -0
- 6sen/6sen_af2_holo_protein.pdb +0 -0
- 6seo/6seo_af2_apo_protein.pdb +0 -0
- 6seo/6seo_af2_holo_ligand.sdf +279 -0
- 6seo/6seo_af2_holo_protein.pdb +0 -0
- 6sfc/6sfc_af2_apo_protein.pdb +0 -0
- 6sfc/6sfc_af2_holo_ligand.sdf +55 -0
- 6sfc/6sfc_af2_holo_protein.pdb +0 -0
- 6st3/6st3_af2_apo_protein.pdb +0 -0
- 6st3/6st3_af2_holo_ligand.sdf +67 -0
- 6st3/6st3_af2_holo_protein.pdb +0 -0
- 6t6a/6t6a_af2_apo_protein.pdb +0 -0
- 6t6a/6t6a_af2_holo_ligand.sdf +40 -0
- 6t6a/6t6a_af2_holo_protein.pdb +0 -0
- 6te6/6te6_af2_apo_protein.pdb +0 -0
- 6te6/6te6_af2_holo_ligand.sdf +73 -0
- 6te6/6te6_af2_holo_protein.pdb +0 -0
- 6tel/6tel_af2_apo_protein.pdb +0 -0
- 6tel/6tel_af2_holo_ligand.sdf +102 -0
- 6tel/6tel_af2_holo_protein.pdb +0 -0
6s56/6s56_af2_apo_protein.pdb
ADDED
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@@ -0,0 +1,1071 @@
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|
| 1 |
+
ATOM 1 N GLN A 981 20.026 28.537 -36.563 1.00 84.74 N
|
| 2 |
+
ATOM 2 CA GLN A 981 19.127 28.376 -37.719 1.00 84.74 C
|
| 3 |
+
ATOM 3 C GLN A 981 19.116 29.611 -38.634 1.00 84.74 C
|
| 4 |
+
ATOM 4 CB GLN A 981 17.701 28.057 -37.232 1.00 84.74 C
|
| 5 |
+
ATOM 5 O GLN A 981 19.132 29.482 -39.855 1.00 84.74 O
|
| 6 |
+
ATOM 6 CG GLN A 981 17.573 26.612 -36.730 1.00 84.74 C
|
| 7 |
+
ATOM 7 CD GLN A 981 16.167 26.291 -36.232 1.00 84.74 C
|
| 8 |
+
ATOM 8 NE2 GLN A 981 15.418 25.489 -36.956 1.00 84.74 N
|
| 9 |
+
ATOM 9 OE1 GLN A 981 15.696 26.724 -35.193 1.00 84.74 O
|
| 10 |
+
ATOM 10 N GLU A 982 19.125 30.809 -38.054 1.00 87.19 N
|
| 11 |
+
ATOM 11 CA GLU A 982 19.200 32.075 -38.792 1.00 87.19 C
|
| 12 |
+
ATOM 12 C GLU A 982 20.572 32.293 -39.453 1.00 87.19 C
|
| 13 |
+
ATOM 13 CB GLU A 982 18.987 33.211 -37.796 1.00 87.19 C
|
| 14 |
+
ATOM 14 O GLU A 982 20.678 32.930 -40.498 1.00 87.19 O
|
| 15 |
+
ATOM 15 CG GLU A 982 17.605 33.312 -37.145 1.00 87.19 C
|
| 16 |
+
ATOM 16 CD GLU A 982 17.698 34.186 -35.887 1.00 87.19 C
|
| 17 |
+
ATOM 17 OE1 GLU A 982 16.881 34.031 -34.954 1.00 87.19 O
|
| 18 |
+
ATOM 18 OE2 GLU A 982 18.564 35.094 -35.820 1.00 87.19 O
|
| 19 |
+
ATOM 19 N GLU A 983 21.655 31.797 -38.849 1.00 84.08 N
|
| 20 |
+
ATOM 20 CA GLU A 983 22.974 31.794 -39.489 1.00 84.08 C
|
| 21 |
+
ATOM 21 C GLU A 983 23.022 30.907 -40.733 1.00 84.08 C
|
| 22 |
+
ATOM 22 CB GLU A 983 24.043 31.286 -38.521 1.00 84.08 C
|
| 23 |
+
ATOM 23 O GLU A 983 23.758 31.242 -41.668 1.00 84.08 O
|
| 24 |
+
ATOM 24 CG GLU A 983 24.567 32.335 -37.544 1.00 84.08 C
|
| 25 |
+
ATOM 25 CD GLU A 983 25.625 31.648 -36.677 1.00 84.08 C
|
| 26 |
+
ATOM 26 OE1 GLU A 983 25.328 31.345 -35.499 1.00 84.08 O
|
| 27 |
+
ATOM 27 OE2 GLU A 983 26.722 31.385 -37.235 1.00 84.08 O
|
| 28 |
+
ATOM 28 N ASP A 984 22.273 29.801 -40.739 1.00 87.06 N
|
| 29 |
+
ATOM 29 CA ASP A 984 22.204 28.856 -41.852 1.00 87.06 C
|
| 30 |
+
ATOM 30 C ASP A 984 21.340 29.384 -43.011 1.00 87.06 C
|
| 31 |
+
ATOM 31 CB ASP A 984 21.809 27.451 -41.350 1.00 87.06 C
|
| 32 |
+
ATOM 32 O ASP A 984 21.807 29.335 -44.148 1.00 87.06 O
|
| 33 |
+
ATOM 33 CG ASP A 984 22.975 26.679 -40.697 1.00 87.06 C
|
| 34 |
+
ATOM 34 OD1 ASP A 984 24.156 27.030 -40.960 1.00 87.06 O
|
| 35 |
+
ATOM 35 OD2 ASP A 984 22.719 25.679 -39.991 1.00 87.06 O
|
| 36 |
+
ATOM 36 N THR A 985 20.203 30.049 -42.770 1.00 86.99 N
|
| 37 |
+
ATOM 37 CA THR A 985 19.482 30.751 -43.861 1.00 86.99 C
|
| 38 |
+
ATOM 38 C THR A 985 20.323 31.895 -44.443 1.00 86.99 C
|
| 39 |
+
ATOM 39 CB THR A 985 18.116 31.294 -43.423 1.00 86.99 C
|
| 40 |
+
ATOM 40 O THR A 985 20.489 32.009 -45.660 1.00 86.99 O
|
| 41 |
+
ATOM 41 CG2 THR A 985 17.159 30.198 -42.965 1.00 86.99 C
|
| 42 |
+
ATOM 42 OG1 THR A 985 18.255 32.195 -42.350 1.00 86.99 O
|
| 43 |
+
ATOM 43 N PHE A 986 21.007 32.686 -43.603 1.00 87.32 N
|
| 44 |
+
ATOM 44 CA PHE A 986 21.990 33.656 -44.101 1.00 87.32 C
|
| 45 |
+
ATOM 45 C PHE A 986 23.218 32.990 -44.752 1.00 87.32 C
|
| 46 |
+
ATOM 46 CB PHE A 986 22.428 34.624 -42.989 1.00 87.32 C
|
| 47 |
+
ATOM 47 O PHE A 986 23.963 33.658 -45.473 1.00 87.32 O
|
| 48 |
+
ATOM 48 CG PHE A 986 21.404 35.664 -42.560 1.00 87.32 C
|
| 49 |
+
ATOM 49 CD1 PHE A 986 20.723 36.448 -43.513 1.00 87.32 C
|
| 50 |
+
ATOM 50 CD2 PHE A 986 21.162 35.884 -41.192 1.00 87.32 C
|
| 51 |
+
ATOM 51 CE1 PHE A 986 19.786 37.411 -43.103 1.00 87.32 C
|
| 52 |
+
ATOM 52 CE2 PHE A 986 20.239 36.861 -40.783 1.00 87.32 C
|
| 53 |
+
ATOM 53 CZ PHE A 986 19.542 37.621 -41.737 1.00 87.32 C
|
| 54 |
+
ATOM 54 N ARG A 987 23.505 31.703 -44.506 1.00 86.62 N
|
| 55 |
+
ATOM 55 CA ARG A 987 24.567 30.941 -45.197 1.00 86.62 C
|
| 56 |
+
ATOM 56 C ARG A 987 24.130 30.589 -46.610 1.00 86.62 C
|
| 57 |
+
ATOM 57 CB ARG A 987 24.927 29.676 -44.397 1.00 86.62 C
|
| 58 |
+
ATOM 58 O ARG A 987 24.924 30.782 -47.526 1.00 86.62 O
|
| 59 |
+
ATOM 59 CG ARG A 987 26.242 29.008 -44.818 1.00 86.62 C
|
| 60 |
+
ATOM 60 CD ARG A 987 26.406 27.632 -44.141 1.00 86.62 C
|
| 61 |
+
ATOM 61 NE ARG A 987 26.214 27.673 -42.675 1.00 86.62 N
|
| 62 |
+
ATOM 62 NH1 ARG A 987 28.184 28.629 -41.976 1.00 86.62 N
|
| 63 |
+
ATOM 63 NH2 ARG A 987 26.528 28.235 -40.521 1.00 86.62 N
|
| 64 |
+
ATOM 64 CZ ARG A 987 26.983 28.179 -41.735 1.00 86.62 C
|
| 65 |
+
ATOM 65 N GLU A 988 22.887 30.156 -46.779 1.00 88.68 N
|
| 66 |
+
ATOM 66 CA GLU A 988 22.256 29.908 -48.078 1.00 88.68 C
|
| 67 |
+
ATOM 67 C GLU A 988 22.219 31.195 -48.914 1.00 88.68 C
|
| 68 |
+
ATOM 68 CB GLU A 988 20.865 29.293 -47.850 1.00 88.68 C
|
| 69 |
+
ATOM 69 O GLU A 988 22.745 31.199 -50.027 1.00 88.68 O
|
| 70 |
+
ATOM 70 CG GLU A 988 20.999 27.865 -47.283 1.00 88.68 C
|
| 71 |
+
ATOM 71 CD GLU A 988 19.704 27.276 -46.703 1.00 88.68 C
|
| 72 |
+
ATOM 72 OE1 GLU A 988 19.739 26.058 -46.412 1.00 88.68 O
|
| 73 |
+
ATOM 73 OE2 GLU A 988 18.730 28.036 -46.503 1.00 88.68 O
|
| 74 |
+
ATOM 74 N LEU A 989 21.788 32.326 -48.335 1.00 88.76 N
|
| 75 |
+
ATOM 75 CA LEU A 989 21.848 33.647 -48.985 1.00 88.76 C
|
| 76 |
+
ATOM 76 C LEU A 989 23.277 34.010 -49.443 1.00 88.76 C
|
| 77 |
+
ATOM 77 CB LEU A 989 21.286 34.705 -48.010 1.00 88.76 C
|
| 78 |
+
ATOM 78 O LEU A 989 23.486 34.440 -50.577 1.00 88.76 O
|
| 79 |
+
ATOM 79 CG LEU A 989 21.212 36.135 -48.590 1.00 88.76 C
|
| 80 |
+
ATOM 80 CD1 LEU A 989 20.142 36.275 -49.668 1.00 88.76 C
|
| 81 |
+
ATOM 81 CD2 LEU A 989 20.907 37.145 -47.483 1.00 88.76 C
|
| 82 |
+
ATOM 82 N ARG A 990 24.296 33.801 -48.594 1.00 89.25 N
|
| 83 |
+
ATOM 83 CA ARG A 990 25.708 34.051 -48.958 1.00 89.25 C
|
| 84 |
+
ATOM 84 C ARG A 990 26.225 33.097 -50.040 1.00 89.25 C
|
| 85 |
+
ATOM 85 CB ARG A 990 26.610 33.985 -47.714 1.00 89.25 C
|
| 86 |
+
ATOM 86 O ARG A 990 27.080 33.499 -50.824 1.00 89.25 O
|
| 87 |
+
ATOM 87 CG ARG A 990 26.532 35.249 -46.839 1.00 89.25 C
|
| 88 |
+
ATOM 88 CD ARG A 990 27.289 35.064 -45.512 1.00 89.25 C
|
| 89 |
+
ATOM 89 NE ARG A 990 26.573 34.111 -44.641 1.00 89.25 N
|
| 90 |
+
ATOM 90 NH1 ARG A 990 28.242 33.489 -43.189 1.00 89.25 N
|
| 91 |
+
ATOM 91 NH2 ARG A 990 26.216 32.624 -42.950 1.00 89.25 N
|
| 92 |
+
ATOM 92 CZ ARG A 990 27.014 33.421 -43.608 1.00 89.25 C
|
| 93 |
+
ATOM 93 N ILE A 991 25.753 31.851 -50.094 1.00 88.95 N
|
| 94 |
+
ATOM 94 CA ILE A 991 26.095 30.900 -51.166 1.00 88.95 C
|
| 95 |
+
ATOM 95 C ILE A 991 25.450 31.350 -52.481 1.00 88.95 C
|
| 96 |
+
ATOM 96 CB ILE A 991 25.706 29.457 -50.761 1.00 88.95 C
|
| 97 |
+
ATOM 97 O ILE A 991 26.142 31.426 -53.495 1.00 88.95 O
|
| 98 |
+
ATOM 98 CG1 ILE A 991 26.649 28.954 -49.641 1.00 88.95 C
|
| 99 |
+
ATOM 99 CG2 ILE A 991 25.771 28.493 -51.963 1.00 88.95 C
|
| 100 |
+
ATOM 100 CD1 ILE A 991 26.101 27.743 -48.874 1.00 88.95 C
|
| 101 |
+
ATOM 101 N PHE A 992 24.172 31.734 -52.449 1.00 91.34 N
|
| 102 |
+
ATOM 102 CA PHE A 992 23.449 32.264 -53.602 1.00 91.34 C
|
| 103 |
+
ATOM 103 C PHE A 992 24.145 33.500 -54.192 1.00 91.34 C
|
| 104 |
+
ATOM 104 CB PHE A 992 22.003 32.559 -53.184 1.00 91.34 C
|
| 105 |
+
ATOM 105 O PHE A 992 24.552 33.482 -55.352 1.00 91.34 O
|
| 106 |
+
ATOM 106 CG PHE A 992 21.155 33.052 -54.334 1.00 91.34 C
|
| 107 |
+
ATOM 107 CD1 PHE A 992 20.856 34.421 -54.468 1.00 91.34 C
|
| 108 |
+
ATOM 108 CD2 PHE A 992 20.687 32.135 -55.290 1.00 91.34 C
|
| 109 |
+
ATOM 109 CE1 PHE A 992 20.091 34.867 -55.559 1.00 91.34 C
|
| 110 |
+
ATOM 110 CE2 PHE A 992 19.924 32.585 -56.377 1.00 91.34 C
|
| 111 |
+
ATOM 111 CZ PHE A 992 19.622 33.949 -56.515 1.00 91.34 C
|
| 112 |
+
ATOM 112 N LEU A 993 24.413 34.530 -53.381 1.00 91.26 N
|
| 113 |
+
ATOM 113 CA LEU A 993 25.085 35.750 -53.850 1.00 91.26 C
|
| 114 |
+
ATOM 114 C LEU A 993 26.515 35.492 -54.374 1.00 91.26 C
|
| 115 |
+
ATOM 115 CB LEU A 993 25.071 36.811 -52.732 1.00 91.26 C
|
| 116 |
+
ATOM 116 O LEU A 993 26.952 36.161 -55.317 1.00 91.26 O
|
| 117 |
+
ATOM 117 CG LEU A 993 23.674 37.323 -52.319 1.00 91.26 C
|
| 118 |
+
ATOM 118 CD1 LEU A 993 23.833 38.372 -51.215 1.00 91.26 C
|
| 119 |
+
ATOM 119 CD2 LEU A 993 22.904 37.944 -53.483 1.00 91.26 C
|
| 120 |
+
ATOM 120 N ARG A 994 27.246 34.500 -53.834 1.00 91.17 N
|
| 121 |
+
ATOM 121 CA ARG A 994 28.535 34.063 -54.413 1.00 91.17 C
|
| 122 |
+
ATOM 122 C ARG A 994 28.351 33.398 -55.780 1.00 91.17 C
|
| 123 |
+
ATOM 123 CB ARG A 994 29.322 33.145 -53.465 1.00 91.17 C
|
| 124 |
+
ATOM 124 O ARG A 994 29.129 33.672 -56.687 1.00 91.17 O
|
| 125 |
+
ATOM 125 CG ARG A 994 30.015 33.917 -52.330 1.00 91.17 C
|
| 126 |
+
ATOM 126 CD ARG A 994 30.957 32.982 -51.561 1.00 91.17 C
|
| 127 |
+
ATOM 127 NE ARG A 994 31.387 33.542 -50.259 1.00 91.17 N
|
| 128 |
+
ATOM 128 NH1 ARG A 994 30.334 32.039 -48.871 1.00 91.17 N
|
| 129 |
+
ATOM 129 NH2 ARG A 994 31.673 33.601 -48.021 1.00 91.17 N
|
| 130 |
+
ATOM 130 CZ ARG A 994 31.127 33.056 -49.062 1.00 91.17 C
|
| 131 |
+
ATOM 131 N ASN A 995 27.319 32.579 -55.967 1.00 91.43 N
|
| 132 |
+
ATOM 132 CA ASN A 995 27.029 31.959 -57.264 1.00 91.43 C
|
| 133 |
+
ATOM 133 C ASN A 995 26.642 33.006 -58.326 1.00 91.43 C
|
| 134 |
+
ATOM 134 CB ASN A 995 25.941 30.885 -57.088 1.00 91.43 C
|
| 135 |
+
ATOM 135 O ASN A 995 27.156 32.949 -59.446 1.00 91.43 O
|
| 136 |
+
ATOM 136 CG ASN A 995 26.388 29.681 -56.275 1.00 91.43 C
|
| 137 |
+
ATOM 137 ND2 ASN A 995 25.453 28.866 -55.849 1.00 91.43 N
|
| 138 |
+
ATOM 138 OD1 ASN A 995 27.560 29.428 -56.043 1.00 91.43 O
|
| 139 |
+
ATOM 139 N VAL A 996 25.810 33.996 -57.973 1.00 91.54 N
|
| 140 |
+
ATOM 140 CA VAL A 996 25.437 35.105 -58.875 1.00 91.54 C
|
| 141 |
+
ATOM 141 C VAL A 996 26.666 35.945 -59.248 1.00 91.54 C
|
| 142 |
+
ATOM 142 CB VAL A 996 24.312 35.982 -58.278 1.00 91.54 C
|
| 143 |
+
ATOM 143 O VAL A 996 26.943 36.134 -60.432 1.00 91.54 O
|
| 144 |
+
ATOM 144 CG1 VAL A 996 23.902 37.106 -59.240 1.00 91.54 C
|
| 145 |
+
ATOM 145 CG2 VAL A 996 23.048 35.162 -57.990 1.00 91.54 C
|
| 146 |
+
ATOM 146 N THR A 997 27.473 36.376 -58.269 1.00 91.15 N
|
| 147 |
+
ATOM 147 CA THR A 997 28.715 37.131 -58.548 1.00 91.15 C
|
| 148 |
+
ATOM 148 C THR A 997 29.726 36.345 -59.377 1.00 91.15 C
|
| 149 |
+
ATOM 149 CB THR A 997 29.431 37.635 -57.288 1.00 91.15 C
|
| 150 |
+
ATOM 150 O THR A 997 30.315 36.917 -60.293 1.00 91.15 O
|
| 151 |
+
ATOM 151 CG2 THR A 997 28.711 38.809 -56.657 1.00 91.15 C
|
| 152 |
+
ATOM 152 OG1 THR A 997 29.506 36.653 -56.292 1.00 91.15 O
|
| 153 |
+
ATOM 153 N HIS A 998 29.902 35.042 -59.133 1.00 90.02 N
|
| 154 |
+
ATOM 154 CA HIS A 998 30.761 34.208 -59.975 1.00 90.02 C
|
| 155 |
+
ATOM 155 C HIS A 998 30.233 34.082 -61.409 1.00 90.02 C
|
| 156 |
+
ATOM 156 CB HIS A 998 30.993 32.831 -59.336 1.00 90.02 C
|
| 157 |
+
ATOM 157 O HIS A 998 31.033 34.173 -62.337 1.00 90.02 O
|
| 158 |
+
ATOM 158 CG HIS A 998 32.141 32.824 -58.357 1.00 90.02 C
|
| 159 |
+
ATOM 159 CD2 HIS A 998 32.091 32.530 -57.021 1.00 90.02 C
|
| 160 |
+
ATOM 160 ND1 HIS A 998 33.459 33.083 -58.662 1.00 90.02 N
|
| 161 |
+
ATOM 161 CE1 HIS A 998 34.181 32.956 -57.537 1.00 90.02 C
|
| 162 |
+
ATOM 162 NE2 HIS A 998 33.393 32.609 -56.509 1.00 90.02 N
|
| 163 |
+
ATOM 163 N ARG A 999 28.917 33.940 -61.628 1.00 89.65 N
|
| 164 |
+
ATOM 164 CA ARG A 999 28.333 33.927 -62.986 1.00 89.65 C
|
| 165 |
+
ATOM 165 C ARG A 999 28.569 35.245 -63.720 1.00 89.65 C
|
| 166 |
+
ATOM 166 CB ARG A 999 26.836 33.581 -62.923 1.00 89.65 C
|
| 167 |
+
ATOM 167 O ARG A 999 29.003 35.214 -64.869 1.00 89.65 O
|
| 168 |
+
ATOM 168 CG ARG A 999 26.650 32.073 -62.715 1.00 89.65 C
|
| 169 |
+
ATOM 169 CD ARG A 999 25.215 31.702 -62.341 1.00 89.65 C
|
| 170 |
+
ATOM 170 NE ARG A 999 24.228 31.868 -63.433 1.00 89.65 N
|
| 171 |
+
ATOM 171 NH1 ARG A 999 22.775 30.340 -62.564 1.00 89.65 N
|
| 172 |
+
ATOM 172 NH2 ARG A 999 22.095 31.526 -64.275 1.00 89.65 N
|
| 173 |
+
ATOM 173 CZ ARG A 999 23.053 31.250 -63.441 1.00 89.65 C
|
| 174 |
+
ATOM 174 N LEU A1000 28.375 36.381 -63.046 1.00 91.10 N
|
| 175 |
+
ATOM 175 CA LEU A1000 28.673 37.704 -63.606 1.00 91.10 C
|
| 176 |
+
ATOM 176 C LEU A1000 30.173 37.866 -63.923 1.00 91.10 C
|
| 177 |
+
ATOM 177 CB LEU A1000 28.170 38.800 -62.644 1.00 91.10 C
|
| 178 |
+
ATOM 178 O LEU A1000 30.516 38.352 -64.995 1.00 91.10 O
|
| 179 |
+
ATOM 179 CG LEU A1000 26.638 38.860 -62.467 1.00 91.10 C
|
| 180 |
+
ATOM 180 CD1 LEU A1000 26.293 39.831 -61.338 1.00 91.10 C
|
| 181 |
+
ATOM 181 CD2 LEU A1000 25.916 39.319 -63.735 1.00 91.10 C
|
| 182 |
+
ATOM 182 N ALA A1001 31.074 37.407 -63.048 1.00 89.50 N
|
| 183 |
+
ATOM 183 CA ALA A1001 32.526 37.512 -63.246 1.00 89.50 C
|
| 184 |
+
ATOM 184 C ALA A1001 33.101 36.540 -64.304 1.00 89.50 C
|
| 185 |
+
ATOM 185 CB ALA A1001 33.198 37.310 -61.883 1.00 89.50 C
|
| 186 |
+
ATOM 186 O ALA A1001 34.171 36.797 -64.860 1.00 89.50 O
|
| 187 |
+
ATOM 187 N ILE A1002 32.419 35.424 -64.587 1.00 89.33 N
|
| 188 |
+
ATOM 188 CA ILE A1002 32.798 34.463 -65.641 1.00 89.33 C
|
| 189 |
+
ATOM 189 C ILE A1002 32.421 34.983 -67.039 1.00 89.33 C
|
| 190 |
+
ATOM 190 CB ILE A1002 32.177 33.076 -65.323 1.00 89.33 C
|
| 191 |
+
ATOM 191 O ILE A1002 33.082 34.641 -68.025 1.00 89.33 O
|
| 192 |
+
ATOM 192 CG1 ILE A1002 32.950 32.420 -64.153 1.00 89.33 C
|
| 193 |
+
ATOM 193 CG2 ILE A1002 32.176 32.116 -66.531 1.00 89.33 C
|
| 194 |
+
ATOM 194 CD1 ILE A1002 32.215 31.239 -63.502 1.00 89.33 C
|
| 195 |
+
ATOM 195 N ASP A1003 31.380 35.812 -67.151 1.00 89.33 N
|
| 196 |
+
ATOM 196 CA ASP A1003 30.921 36.321 -68.439 1.00 89.33 C
|
| 197 |
+
ATOM 197 C ASP A1003 31.934 37.299 -69.065 1.00 89.33 C
|
| 198 |
+
ATOM 198 CB ASP A1003 29.520 36.932 -68.313 1.00 89.33 C
|
| 199 |
+
ATOM 199 O ASP A1003 32.273 38.357 -68.525 1.00 89.33 O
|
| 200 |
+
ATOM 200 CG ASP A1003 28.854 37.154 -69.675 1.00 89.33 C
|
| 201 |
+
ATOM 201 OD1 ASP A1003 29.561 37.388 -70.684 1.00 89.33 O
|
| 202 |
+
ATOM 202 OD2 ASP A1003 27.610 37.113 -69.748 1.00 89.33 O
|
| 203 |
+
ATOM 203 N LYS A1004 32.374 36.974 -70.286 1.00 86.18 N
|
| 204 |
+
ATOM 204 CA LYS A1004 33.286 37.798 -71.093 1.00 86.18 C
|
| 205 |
+
ATOM 205 C LYS A1004 32.758 39.224 -71.316 1.00 86.18 C
|
| 206 |
+
ATOM 206 CB LYS A1004 33.544 37.111 -72.444 1.00 86.18 C
|
| 207 |
+
ATOM 207 O LYS A1004 33.571 40.125 -71.526 1.00 86.18 O
|
| 208 |
+
ATOM 208 CG LYS A1004 34.259 35.756 -72.307 1.00 86.18 C
|
| 209 |
+
ATOM 209 CD LYS A1004 34.453 35.107 -73.684 1.00 86.18 C
|
| 210 |
+
ATOM 210 CE LYS A1004 35.115 33.731 -73.536 1.00 86.18 C
|
| 211 |
+
ATOM 211 NZ LYS A1004 35.210 33.023 -74.840 1.00 86.18 N
|
| 212 |
+
ATOM 212 N ARG A1005 31.436 39.442 -71.257 1.00 85.24 N
|
| 213 |
+
ATOM 213 CA ARG A1005 30.788 40.764 -71.349 1.00 85.24 C
|
| 214 |
+
ATOM 214 C ARG A1005 31.146 41.683 -70.177 1.00 85.24 C
|
| 215 |
+
ATOM 215 CB ARG A1005 29.257 40.584 -71.418 1.00 85.24 C
|
| 216 |
+
ATOM 216 O ARG A1005 31.269 42.889 -70.383 1.00 85.24 O
|
| 217 |
+
ATOM 217 CG ARG A1005 28.789 39.870 -72.700 1.00 85.24 C
|
| 218 |
+
ATOM 218 CD ARG A1005 27.260 39.742 -72.786 1.00 85.24 C
|
| 219 |
+
ATOM 219 NE ARG A1005 26.711 38.799 -71.794 1.00 85.24 N
|
| 220 |
+
ATOM 220 NH1 ARG A1005 24.460 39.111 -72.186 1.00 85.24 N
|
| 221 |
+
ATOM 221 NH2 ARG A1005 25.138 37.698 -70.605 1.00 85.24 N
|
| 222 |
+
ATOM 222 CZ ARG A1005 25.441 38.545 -71.538 1.00 85.24 C
|
| 223 |
+
ATOM 223 N PHE A1006 31.347 41.130 -68.980 1.00 89.10 N
|
| 224 |
+
ATOM 224 CA PHE A1006 31.445 41.881 -67.719 1.00 89.10 C
|
| 225 |
+
ATOM 225 C PHE A1006 32.852 41.902 -67.107 1.00 89.10 C
|
| 226 |
+
ATOM 226 CB PHE A1006 30.400 41.333 -66.742 1.00 89.10 C
|
| 227 |
+
ATOM 227 O PHE A1006 33.070 42.534 -66.073 1.00 89.10 O
|
| 228 |
+
ATOM 228 CG PHE A1006 28.985 41.268 -67.294 1.00 89.10 C
|
| 229 |
+
ATOM 229 CD1 PHE A1006 28.471 42.302 -68.103 1.00 89.10 C
|
| 230 |
+
ATOM 230 CD2 PHE A1006 28.185 40.143 -67.022 1.00 89.10 C
|
| 231 |
+
ATOM 231 CE1 PHE A1006 27.191 42.187 -68.669 1.00 89.10 C
|
| 232 |
+
ATOM 232 CE2 PHE A1006 26.901 40.033 -67.581 1.00 89.10 C
|
| 233 |
+
ATOM 233 CZ PHE A1006 26.407 41.051 -68.412 1.00 89.10 C
|
| 234 |
+
ATOM 234 N ARG A1007 33.837 41.304 -67.792 1.00 85.74 N
|
| 235 |
+
ATOM 235 CA ARG A1007 35.257 41.274 -67.393 1.00 85.74 C
|
| 236 |
+
ATOM 236 C ARG A1007 35.839 42.649 -67.016 1.00 85.74 C
|
| 237 |
+
ATOM 237 CB ARG A1007 36.058 40.608 -68.525 1.00 85.74 C
|
| 238 |
+
ATOM 238 O ARG A1007 36.734 42.711 -66.181 1.00 85.74 O
|
| 239 |
+
ATOM 239 CG ARG A1007 37.486 40.249 -68.090 1.00 85.74 C
|
| 240 |
+
ATOM 240 CD ARG A1007 38.241 39.537 -69.218 1.00 85.74 C
|
| 241 |
+
ATOM 241 NE ARG A1007 39.584 39.119 -68.769 1.00 85.74 N
|
| 242 |
+
ATOM 242 NH1 ARG A1007 40.523 38.729 -70.829 1.00 85.74 N
|
| 243 |
+
ATOM 243 NH2 ARG A1007 41.737 38.413 -68.987 1.00 85.74 N
|
| 244 |
+
ATOM 244 CZ ARG A1007 40.603 38.756 -69.528 1.00 85.74 C
|
| 245 |
+
ATOM 245 N VAL A1008 35.315 43.732 -67.602 1.00 83.84 N
|
| 246 |
+
ATOM 246 CA VAL A1008 35.685 45.130 -67.296 1.00 83.84 C
|
| 247 |
+
ATOM 247 C VAL A1008 35.431 45.482 -65.824 1.00 83.84 C
|
| 248 |
+
ATOM 248 CB VAL A1008 34.915 46.114 -68.209 1.00 83.84 C
|
| 249 |
+
ATOM 249 O VAL A1008 36.274 46.105 -65.199 1.00 83.84 O
|
| 250 |
+
ATOM 250 CG1 VAL A1008 35.337 47.572 -67.993 1.00 83.84 C
|
| 251 |
+
ATOM 251 CG2 VAL A1008 35.131 45.797 -69.699 1.00 83.84 C
|
| 252 |
+
ATOM 252 N PHE A1009 34.320 45.020 -65.245 1.00 88.20 N
|
| 253 |
+
ATOM 253 CA PHE A1009 33.891 45.343 -63.874 1.00 88.20 C
|
| 254 |
+
ATOM 254 C PHE A1009 34.343 44.300 -62.838 1.00 88.20 C
|
| 255 |
+
ATOM 255 CB PHE A1009 32.365 45.517 -63.864 1.00 88.20 C
|
| 256 |
+
ATOM 256 O PHE A1009 33.837 44.255 -61.717 1.00 88.20 O
|
| 257 |
+
ATOM 257 CG PHE A1009 31.832 46.406 -64.973 1.00 88.20 C
|
| 258 |
+
ATOM 258 CD1 PHE A1009 32.011 47.800 -64.912 1.00 88.20 C
|
| 259 |
+
ATOM 259 CD2 PHE A1009 31.185 45.835 -66.086 1.00 88.20 C
|
| 260 |
+
ATOM 260 CE1 PHE A1009 31.543 48.617 -65.956 1.00 88.20 C
|
| 261 |
+
ATOM 261 CE2 PHE A1009 30.692 46.654 -67.113 1.00 88.20 C
|
| 262 |
+
ATOM 262 CZ PHE A1009 30.880 48.045 -67.056 1.00 88.20 C
|
| 263 |
+
ATOM 263 N THR A1010 35.240 43.385 -63.225 1.00 86.73 N
|
| 264 |
+
ATOM 264 CA THR A1010 35.664 42.267 -62.366 1.00 86.73 C
|
| 265 |
+
ATOM 265 C THR A1010 36.809 42.652 -61.427 1.00 86.73 C
|
| 266 |
+
ATOM 266 CB THR A1010 36.025 41.044 -63.215 1.00 86.73 C
|
| 267 |
+
ATOM 267 O THR A1010 36.808 42.237 -60.267 1.00 86.73 O
|
| 268 |
+
ATOM 268 CG2 THR A1010 36.342 39.803 -62.381 1.00 86.73 C
|
| 269 |
+
ATOM 269 OG1 THR A1010 34.931 40.699 -64.032 1.00 86.73 O
|
| 270 |
+
ATOM 270 N LYS A1011 37.769 43.449 -61.911 1.00 83.51 N
|
| 271 |
+
ATOM 271 CA LYS A1011 38.858 44.044 -61.116 1.00 83.51 C
|
| 272 |
+
ATOM 272 C LYS A1011 38.438 45.445 -60.639 1.00 83.51 C
|
| 273 |
+
ATOM 273 CB LYS A1011 40.139 44.174 -61.968 1.00 83.51 C
|
| 274 |
+
ATOM 274 O LYS A1011 37.606 46.050 -61.312 1.00 83.51 O
|
| 275 |
+
ATOM 275 CG LYS A1011 40.728 42.847 -62.475 1.00 83.51 C
|
| 276 |
+
ATOM 276 CD LYS A1011 41.917 43.095 -63.428 1.00 83.51 C
|
| 277 |
+
ATOM 277 CE LYS A1011 43.282 43.154 -62.728 1.00 83.51 C
|
| 278 |
+
ATOM 278 NZ LYS A1011 44.125 44.301 -63.194 1.00 83.51 N
|
| 279 |
+
ATOM 279 N PRO A1012 39.028 45.975 -59.552 1.00 83.72 N
|
| 280 |
+
ATOM 280 CA PRO A1012 39.027 47.415 -59.317 1.00 83.72 C
|
| 281 |
+
ATOM 281 C PRO A1012 39.728 48.158 -60.459 1.00 83.72 C
|
| 282 |
+
ATOM 282 CB PRO A1012 39.731 47.617 -57.974 1.00 83.72 C
|
| 283 |
+
ATOM 283 O PRO A1012 40.593 47.592 -61.132 1.00 83.72 O
|
| 284 |
+
ATOM 284 CG PRO A1012 40.711 46.445 -57.931 1.00 83.72 C
|
| 285 |
+
ATOM 285 CD PRO A1012 39.930 45.320 -58.613 1.00 83.72 C
|
| 286 |
+
ATOM 286 N VAL A1013 39.359 49.424 -60.663 1.00 81.00 N
|
| 287 |
+
ATOM 287 CA VAL A1013 40.049 50.322 -61.601 1.00 81.00 C
|
| 288 |
+
ATOM 288 C VAL A1013 41.431 50.659 -61.038 1.00 81.00 C
|
| 289 |
+
ATOM 289 CB VAL A1013 39.223 51.594 -61.880 1.00 81.00 C
|
| 290 |
+
ATOM 290 O VAL A1013 41.539 51.223 -59.948 1.00 81.00 O
|
| 291 |
+
ATOM 291 CG1 VAL A1013 39.929 52.526 -62.874 1.00 81.00 C
|
| 292 |
+
ATOM 292 CG2 VAL A1013 37.852 51.233 -62.471 1.00 81.00 C
|
| 293 |
+
ATOM 293 N ASP A1014 42.482 50.293 -61.772 1.00 79.73 N
|
| 294 |
+
ATOM 294 CA ASP A1014 43.870 50.524 -61.375 1.00 79.73 C
|
| 295 |
+
ATOM 295 C ASP A1014 44.198 52.040 -61.533 1.00 79.73 C
|
| 296 |
+
ATOM 296 CB ASP A1014 44.795 49.564 -62.174 1.00 79.73 C
|
| 297 |
+
ATOM 297 O ASP A1014 44.083 52.582 -62.637 1.00 79.73 O
|
| 298 |
+
ATOM 298 CG ASP A1014 44.722 48.080 -61.713 1.00 79.73 C
|
| 299 |
+
ATOM 299 OD1 ASP A1014 44.862 47.846 -60.491 1.00 79.73 O
|
| 300 |
+
ATOM 300 OD2 ASP A1014 44.560 47.134 -62.540 1.00 79.73 O
|
| 301 |
+
ATOM 301 N PRO A1015 44.580 52.770 -60.459 1.00 76.94 N
|
| 302 |
+
ATOM 302 CA PRO A1015 44.692 54.239 -60.478 1.00 76.94 C
|
| 303 |
+
ATOM 303 C PRO A1015 45.860 54.760 -61.328 1.00 76.94 C
|
| 304 |
+
ATOM 304 CB PRO A1015 44.845 54.651 -59.009 1.00 76.94 C
|
| 305 |
+
ATOM 305 O PRO A1015 45.868 55.930 -61.701 1.00 76.94 O
|
| 306 |
+
ATOM 306 CG PRO A1015 45.520 53.435 -58.377 1.00 76.94 C
|
| 307 |
+
ATOM 307 CD PRO A1015 44.873 52.269 -59.125 1.00 76.94 C
|
| 308 |
+
ATOM 308 N ASP A1016 46.820 53.891 -61.654 1.00 78.94 N
|
| 309 |
+
ATOM 309 CA ASP A1016 47.925 54.183 -62.569 1.00 78.94 C
|
| 310 |
+
ATOM 310 C ASP A1016 47.476 54.186 -64.046 1.00 78.94 C
|
| 311 |
+
ATOM 311 CB ASP A1016 49.047 53.149 -62.360 1.00 78.94 C
|
| 312 |
+
ATOM 312 O ASP A1016 48.099 54.852 -64.872 1.00 78.94 O
|
| 313 |
+
ATOM 313 CG ASP A1016 49.648 53.134 -60.946 1.00 78.94 C
|
| 314 |
+
ATOM 314 OD1 ASP A1016 49.846 54.224 -60.363 1.00 78.94 O
|
| 315 |
+
ATOM 315 OD2 ASP A1016 49.931 52.017 -60.455 1.00 78.94 O
|
| 316 |
+
ATOM 316 N GLU A1017 46.394 53.468 -64.393 1.00 76.98 N
|
| 317 |
+
ATOM 317 CA GLU A1017 45.804 53.493 -65.743 1.00 76.98 C
|
| 318 |
+
ATOM 318 C GLU A1017 44.825 54.665 -65.917 1.00 76.98 C
|
| 319 |
+
ATOM 319 CB GLU A1017 45.091 52.162 -66.083 1.00 76.98 C
|
| 320 |
+
ATOM 320 O GLU A1017 44.762 55.253 -66.997 1.00 76.98 O
|
| 321 |
+
ATOM 321 CG GLU A1017 46.034 50.948 -66.205 1.00 76.98 C
|
| 322 |
+
ATOM 322 CD GLU A1017 45.379 49.692 -66.829 1.00 76.98 C
|
| 323 |
+
ATOM 323 OE1 GLU A1017 46.140 48.769 -67.211 1.00 76.98 O
|
| 324 |
+
ATOM 324 OE2 GLU A1017 44.132 49.630 -66.945 1.00 76.98 O
|
| 325 |
+
ATOM 325 N VAL A1018 44.065 55.018 -64.868 1.00 78.23 N
|
| 326 |
+
ATOM 326 CA VAL A1018 43.021 56.061 -64.928 1.00 78.23 C
|
| 327 |
+
ATOM 327 C VAL A1018 43.050 56.983 -63.690 1.00 78.23 C
|
| 328 |
+
ATOM 328 CB VAL A1018 41.620 55.439 -65.155 1.00 78.23 C
|
| 329 |
+
ATOM 329 O VAL A1018 42.205 56.851 -62.798 1.00 78.23 O
|
| 330 |
+
ATOM 330 CG1 VAL A1018 40.635 56.529 -65.591 1.00 78.23 C
|
| 331 |
+
ATOM 331 CG2 VAL A1018 41.581 54.363 -66.251 1.00 78.23 C
|
| 332 |
+
ATOM 332 N PRO A1019 43.976 57.963 -63.621 1.00 75.73 N
|
| 333 |
+
ATOM 333 CA PRO A1019 44.118 58.851 -62.459 1.00 75.73 C
|
| 334 |
+
ATOM 334 C PRO A1019 42.857 59.668 -62.133 1.00 75.73 C
|
| 335 |
+
ATOM 335 CB PRO A1019 45.303 59.767 -62.791 1.00 75.73 C
|
| 336 |
+
ATOM 336 O PRO A1019 42.527 59.878 -60.965 1.00 75.73 O
|
| 337 |
+
ATOM 337 CG PRO A1019 46.139 58.931 -63.759 1.00 75.73 C
|
| 338 |
+
ATOM 338 CD PRO A1019 45.075 58.180 -64.554 1.00 75.73 C
|
| 339 |
+
ATOM 339 N ASP A1020 42.112 60.084 -63.162 1.00 82.98 N
|
| 340 |
+
ATOM 340 CA ASP A1020 40.900 60.900 -63.018 1.00 82.98 C
|
| 341 |
+
ATOM 341 C ASP A1020 39.672 60.106 -62.528 1.00 82.98 C
|
| 342 |
+
ATOM 342 CB ASP A1020 40.604 61.614 -64.347 1.00 82.98 C
|
| 343 |
+
ATOM 343 O ASP A1020 38.642 60.692 -62.198 1.00 82.98 O
|
| 344 |
+
ATOM 344 CG ASP A1020 41.697 62.617 -64.735 1.00 82.98 C
|
| 345 |
+
ATOM 345 OD1 ASP A1020 42.143 63.369 -63.837 1.00 82.98 O
|
| 346 |
+
ATOM 346 OD2 ASP A1020 42.072 62.622 -65.927 1.00 82.98 O
|
| 347 |
+
ATOM 347 N TYR A1021 39.742 58.773 -62.437 1.00 82.91 N
|
| 348 |
+
ATOM 348 CA TYR A1021 38.602 57.975 -61.971 1.00 82.91 C
|
| 349 |
+
ATOM 349 C TYR A1021 38.230 58.296 -60.516 1.00 82.91 C
|
| 350 |
+
ATOM 350 CB TYR A1021 38.904 56.484 -62.154 1.00 82.91 C
|
| 351 |
+
ATOM 351 O TYR A1021 37.054 58.444 -60.186 1.00 82.91 O
|
| 352 |
+
ATOM 352 CG TYR A1021 37.720 55.590 -61.845 1.00 82.91 C
|
| 353 |
+
ATOM 353 CD1 TYR A1021 37.736 54.751 -60.715 1.00 82.91 C
|
| 354 |
+
ATOM 354 CD2 TYR A1021 36.601 55.599 -62.701 1.00 82.91 C
|
| 355 |
+
ATOM 355 CE1 TYR A1021 36.639 53.908 -60.447 1.00 82.91 C
|
| 356 |
+
ATOM 356 CE2 TYR A1021 35.495 54.773 -62.426 1.00 82.91 C
|
| 357 |
+
ATOM 357 OH TYR A1021 34.469 53.086 -61.063 1.00 82.91 O
|
| 358 |
+
ATOM 358 CZ TYR A1021 35.515 53.922 -61.302 1.00 82.91 C
|
| 359 |
+
ATOM 359 N VAL A1022 39.236 58.477 -59.655 1.00 79.47 N
|
| 360 |
+
ATOM 360 CA VAL A1022 39.058 58.738 -58.214 1.00 79.47 C
|
| 361 |
+
ATOM 361 C VAL A1022 38.664 60.197 -57.929 1.00 79.47 C
|
| 362 |
+
ATOM 362 CB VAL A1022 40.330 58.320 -57.437 1.00 79.47 C
|
| 363 |
+
ATOM 363 O VAL A1022 38.130 60.492 -56.862 1.00 79.47 O
|
| 364 |
+
ATOM 364 CG1 VAL A1022 40.160 58.401 -55.912 1.00 79.47 C
|
| 365 |
+
ATOM 365 CG2 VAL A1022 40.730 56.868 -57.754 1.00 79.47 C
|
| 366 |
+
ATOM 366 N THR A1023 38.888 61.121 -58.871 1.00 81.07 N
|
| 367 |
+
ATOM 367 CA THR A1023 38.459 62.526 -58.734 1.00 81.07 C
|
| 368 |
+
ATOM 368 C THR A1023 36.997 62.728 -59.145 1.00 81.07 C
|
| 369 |
+
ATOM 369 CB THR A1023 39.376 63.487 -59.509 1.00 81.07 C
|
| 370 |
+
ATOM 370 O THR A1023 36.329 63.604 -58.594 1.00 81.07 O
|
| 371 |
+
ATOM 371 CG2 THR A1023 40.845 63.352 -59.108 1.00 81.07 C
|
| 372 |
+
ATOM 372 OG1 THR A1023 39.299 63.244 -60.887 1.00 81.07 O
|
| 373 |
+
ATOM 373 N VAL A1024 36.484 61.893 -60.057 1.00 82.01 N
|
| 374 |
+
ATOM 374 CA VAL A1024 35.080 61.894 -60.499 1.00 82.01 C
|
| 375 |
+
ATOM 375 C VAL A1024 34.203 61.005 -59.604 1.00 82.01 C
|
| 376 |
+
ATOM 376 CB VAL A1024 34.991 61.487 -61.987 1.00 82.01 C
|
| 377 |
+
ATOM 377 O VAL A1024 33.193 61.472 -59.073 1.00 82.01 O
|
| 378 |
+
ATOM 378 CG1 VAL A1024 33.547 61.451 -62.503 1.00 82.01 C
|
| 379 |
+
ATOM 379 CG2 VAL A1024 35.759 62.467 -62.887 1.00 82.01 C
|
| 380 |
+
ATOM 380 N ILE A1025 34.578 59.737 -59.395 1.00 84.89 N
|
| 381 |
+
ATOM 381 CA ILE A1025 33.723 58.730 -58.747 1.00 84.89 C
|
| 382 |
+
ATOM 382 C ILE A1025 33.959 58.660 -57.233 1.00 84.89 C
|
| 383 |
+
ATOM 383 CB ILE A1025 33.871 57.358 -59.446 1.00 84.89 C
|
| 384 |
+
ATOM 384 O ILE A1025 34.972 58.163 -56.745 1.00 84.89 O
|
| 385 |
+
ATOM 385 CG1 ILE A1025 33.448 57.411 -60.934 1.00 84.89 C
|
| 386 |
+
ATOM 386 CG2 ILE A1025 33.077 56.261 -58.711 1.00 84.89 C
|
| 387 |
+
ATOM 387 CD1 ILE A1025 32.017 57.902 -61.202 1.00 84.89 C
|
| 388 |
+
ATOM 388 N LYS A1026 32.952 59.096 -56.467 1.00 81.18 N
|
| 389 |
+
ATOM 389 CA LYS A1026 32.991 59.177 -54.991 1.00 81.18 C
|
| 390 |
+
ATOM 390 C LYS A1026 32.957 57.824 -54.272 1.00 81.18 C
|
| 391 |
+
ATOM 391 CB LYS A1026 31.811 60.029 -54.502 1.00 81.18 C
|
| 392 |
+
ATOM 392 O LYS A1026 33.342 57.755 -53.106 1.00 81.18 O
|
| 393 |
+
ATOM 393 CG LYS A1026 31.920 61.494 -54.945 1.00 81.18 C
|
| 394 |
+
ATOM 394 CD LYS A1026 30.596 62.223 -54.700 1.00 81.18 C
|
| 395 |
+
ATOM 395 CE LYS A1026 30.701 63.638 -55.276 1.00 81.18 C
|
| 396 |
+
ATOM 396 NZ LYS A1026 29.365 64.173 -55.633 1.00 81.18 N
|
| 397 |
+
ATOM 397 N GLN A1027 32.425 56.779 -54.907 1.00 83.94 N
|
| 398 |
+
ATOM 398 CA GLN A1027 32.250 55.449 -54.310 1.00 83.94 C
|
| 399 |
+
ATOM 399 C GLN A1027 32.564 54.345 -55.337 1.00 83.94 C
|
| 400 |
+
ATOM 400 CB GLN A1027 30.828 55.289 -53.729 1.00 83.94 C
|
| 401 |
+
ATOM 401 O GLN A1027 31.637 53.789 -55.928 1.00 83.94 O
|
| 402 |
+
ATOM 402 CG GLN A1027 30.555 56.209 -52.530 1.00 83.94 C
|
| 403 |
+
ATOM 403 CD GLN A1027 29.261 55.884 -51.784 1.00 83.94 C
|
| 404 |
+
ATOM 404 NE2 GLN A1027 28.914 56.662 -50.784 1.00 83.94 N
|
| 405 |
+
ATOM 405 OE1 GLN A1027 28.546 54.933 -52.041 1.00 83.94 O
|
| 406 |
+
ATOM 406 N PRO A1028 33.849 54.019 -55.577 1.00 87.02 N
|
| 407 |
+
ATOM 407 CA PRO A1028 34.222 52.934 -56.483 1.00 87.02 C
|
| 408 |
+
ATOM 408 C PRO A1028 33.627 51.595 -56.019 1.00 87.02 C
|
| 409 |
+
ATOM 409 CB PRO A1028 35.754 52.920 -56.508 1.00 87.02 C
|
| 410 |
+
ATOM 410 O PRO A1028 33.608 51.292 -54.823 1.00 87.02 O
|
| 411 |
+
ATOM 411 CG PRO A1028 36.139 53.542 -55.167 1.00 87.02 C
|
| 412 |
+
ATOM 412 CD PRO A1028 35.039 54.580 -54.951 1.00 87.02 C
|
| 413 |
+
ATOM 413 N MET A1029 33.124 50.810 -56.973 1.00 87.98 N
|
| 414 |
+
ATOM 414 CA MET A1029 32.480 49.516 -56.751 1.00 87.98 C
|
| 415 |
+
ATOM 415 C MET A1029 32.722 48.611 -57.960 1.00 87.98 C
|
| 416 |
+
ATOM 416 CB MET A1029 30.967 49.703 -56.522 1.00 87.98 C
|
| 417 |
+
ATOM 417 O MET A1029 32.645 49.068 -59.098 1.00 87.98 O
|
| 418 |
+
ATOM 418 CG MET A1029 30.304 48.503 -55.821 1.00 87.98 C
|
| 419 |
+
ATOM 419 SD MET A1029 31.001 48.007 -54.207 1.00 87.98 S
|
| 420 |
+
ATOM 420 CE MET A1029 31.013 49.613 -53.360 1.00 87.98 C
|
| 421 |
+
ATOM 421 N ASP A1030 32.978 47.331 -57.698 1.00 90.38 N
|
| 422 |
+
ATOM 422 CA ASP A1030 33.375 46.318 -58.683 1.00 90.38 C
|
| 423 |
+
ATOM 423 C ASP A1030 33.053 44.917 -58.133 1.00 90.38 C
|
| 424 |
+
ATOM 424 CB ASP A1030 34.877 46.429 -59.047 1.00 90.38 C
|
| 425 |
+
ATOM 425 O ASP A1030 32.897 44.736 -56.922 1.00 90.38 O
|
| 426 |
+
ATOM 426 CG ASP A1030 35.637 47.511 -58.272 1.00 90.38 C
|
| 427 |
+
ATOM 427 OD1 ASP A1030 35.857 48.606 -58.834 1.00 90.38 O
|
| 428 |
+
ATOM 428 OD2 ASP A1030 35.969 47.228 -57.095 1.00 90.38 O
|
| 429 |
+
ATOM 429 N LEU A1031 32.974 43.893 -58.990 1.00 90.89 N
|
| 430 |
+
ATOM 430 CA LEU A1031 32.542 42.549 -58.570 1.00 90.89 C
|
| 431 |
+
ATOM 431 C LEU A1031 33.478 41.914 -57.520 1.00 90.89 C
|
| 432 |
+
ATOM 432 CB LEU A1031 32.370 41.630 -59.795 1.00 90.89 C
|
| 433 |
+
ATOM 433 O LEU A1031 32.996 41.222 -56.625 1.00 90.89 O
|
| 434 |
+
ATOM 434 CG LEU A1031 31.292 42.067 -60.809 1.00 90.89 C
|
| 435 |
+
ATOM 435 CD1 LEU A1031 31.338 41.141 -62.026 1.00 90.89 C
|
| 436 |
+
ATOM 436 CD2 LEU A1031 29.881 42.004 -60.218 1.00 90.89 C
|
| 437 |
+
ATOM 437 N SER A1032 34.788 42.193 -57.554 1.00 87.76 N
|
| 438 |
+
ATOM 438 CA SER A1032 35.723 41.772 -56.489 1.00 87.76 C
|
| 439 |
+
ATOM 439 C SER A1032 35.424 42.442 -55.138 1.00 87.76 C
|
| 440 |
+
ATOM 440 CB SER A1032 37.171 42.084 -56.883 1.00 87.76 C
|
| 441 |
+
ATOM 441 O SER A1032 35.509 41.803 -54.082 1.00 87.76 O
|
| 442 |
+
ATOM 442 OG SER A1032 37.592 41.242 -57.939 1.00 87.76 O
|
| 443 |
+
ATOM 443 N SER A1033 35.020 43.713 -55.161 1.00 88.69 N
|
| 444 |
+
ATOM 444 CA SER A1033 34.607 44.471 -53.974 1.00 88.69 C
|
| 445 |
+
ATOM 445 C SER A1033 33.264 43.970 -53.428 1.00 88.69 C
|
| 446 |
+
ATOM 446 CB SER A1033 34.570 45.969 -54.312 1.00 88.69 C
|
| 447 |
+
ATOM 447 O SER A1033 33.103 43.842 -52.212 1.00 88.69 O
|
| 448 |
+
ATOM 448 OG SER A1033 35.884 46.390 -54.625 1.00 88.69 O
|
| 449 |
+
ATOM 449 N VAL A1034 32.334 43.582 -54.307 1.00 91.39 N
|
| 450 |
+
ATOM 450 CA VAL A1034 31.064 42.923 -53.947 1.00 91.39 C
|
| 451 |
+
ATOM 451 C VAL A1034 31.310 41.546 -53.315 1.00 91.39 C
|
| 452 |
+
ATOM 452 CB VAL A1034 30.131 42.839 -55.173 1.00 91.39 C
|
| 453 |
+
ATOM 453 O VAL A1034 30.797 41.286 -52.229 1.00 91.39 O
|
| 454 |
+
ATOM 454 CG1 VAL A1034 28.846 42.053 -54.902 1.00 91.39 C
|
| 455 |
+
ATOM 455 CG2 VAL A1034 29.701 44.240 -55.628 1.00 91.39 C
|
| 456 |
+
ATOM 456 N ILE A1035 32.155 40.687 -53.901 1.00 90.38 N
|
| 457 |
+
ATOM 457 CA ILE A1035 32.533 39.387 -53.301 1.00 90.38 C
|
| 458 |
+
ATOM 458 C ILE A1035 33.114 39.592 -51.892 1.00 90.38 C
|
| 459 |
+
ATOM 459 CB ILE A1035 33.498 38.619 -54.241 1.00 90.38 C
|
| 460 |
+
ATOM 460 O ILE A1035 32.673 38.956 -50.932 1.00 90.38 O
|
| 461 |
+
ATOM 461 CG1 ILE A1035 32.733 38.136 -55.497 1.00 90.38 C
|
| 462 |
+
ATOM 462 CG2 ILE A1035 34.145 37.410 -53.536 1.00 90.38 C
|
| 463 |
+
ATOM 463 CD1 ILE A1035 33.642 37.726 -56.664 1.00 90.38 C
|
| 464 |
+
ATOM 464 N SER A1036 34.006 40.574 -51.735 1.00 87.68 N
|
| 465 |
+
ATOM 465 CA SER A1036 34.578 40.949 -50.434 1.00 87.68 C
|
| 466 |
+
ATOM 466 C SER A1036 33.520 41.426 -49.423 1.00 87.68 C
|
| 467 |
+
ATOM 467 CB SER A1036 35.637 42.041 -50.625 1.00 87.68 C
|
| 468 |
+
ATOM 468 O SER A1036 33.656 41.190 -48.222 1.00 87.68 O
|
| 469 |
+
ATOM 469 OG SER A1036 36.653 41.620 -51.515 1.00 87.68 O
|
| 470 |
+
ATOM 470 N LYS A1037 32.430 42.068 -49.870 1.00 88.85 N
|
| 471 |
+
ATOM 471 CA LYS A1037 31.289 42.442 -49.013 1.00 88.85 C
|
| 472 |
+
ATOM 472 C LYS A1037 30.426 41.237 -48.603 1.00 88.85 C
|
| 473 |
+
ATOM 473 CB LYS A1037 30.436 43.515 -49.707 1.00 88.85 C
|
| 474 |
+
ATOM 474 O LYS A1037 29.933 41.238 -47.470 1.00 88.85 O
|
| 475 |
+
ATOM 475 CG LYS A1037 31.044 44.928 -49.704 1.00 88.85 C
|
| 476 |
+
ATOM 476 CD LYS A1037 30.130 45.858 -50.510 1.00 88.85 C
|
| 477 |
+
ATOM 477 CE LYS A1037 30.454 47.344 -50.346 1.00 88.85 C
|
| 478 |
+
ATOM 478 NZ LYS A1037 29.491 48.154 -51.124 1.00 88.85 N
|
| 479 |
+
ATOM 479 N ILE A1038 30.288 40.207 -49.449 1.00 89.63 N
|
| 480 |
+
ATOM 480 CA ILE A1038 29.633 38.934 -49.076 1.00 89.63 C
|
| 481 |
+
ATOM 481 C ILE A1038 30.440 38.241 -47.969 1.00 89.63 C
|
| 482 |
+
ATOM 482 CB ILE A1038 29.433 37.970 -50.281 1.00 89.63 C
|
| 483 |
+
ATOM 483 O ILE A1038 29.877 37.837 -46.948 1.00 89.63 O
|
| 484 |
+
ATOM 484 CG1 ILE A1038 28.687 38.605 -51.477 1.00 89.63 C
|
| 485 |
+
ATOM 485 CG2 ILE A1038 28.632 36.742 -49.798 1.00 89.63 C
|
| 486 |
+
ATOM 486 CD1 ILE A1038 28.736 37.782 -52.769 1.00 89.63 C
|
| 487 |
+
ATOM 487 N ASP A1039 31.762 38.158 -48.132 1.00 85.67 N
|
| 488 |
+
ATOM 488 CA ASP A1039 32.666 37.512 -47.170 1.00 85.67 C
|
| 489 |
+
ATOM 489 C ASP A1039 32.741 38.258 -45.826 1.00 85.67 C
|
| 490 |
+
ATOM 490 CB ASP A1039 34.058 37.357 -47.807 1.00 85.67 C
|
| 491 |
+
ATOM 491 O ASP A1039 32.845 37.632 -44.772 1.00 85.67 O
|
| 492 |
+
ATOM 492 CG ASP A1039 34.105 36.329 -48.947 1.00 85.67 C
|
| 493 |
+
ATOM 493 OD1 ASP A1039 33.129 35.551 -49.100 1.00 85.67 O
|
| 494 |
+
ATOM 494 OD2 ASP A1039 35.151 36.262 -49.620 1.00 85.67 O
|
| 495 |
+
ATOM 495 N LEU A1040 32.585 39.587 -45.840 1.00 84.03 N
|
| 496 |
+
ATOM 496 CA LEU A1040 32.453 40.428 -44.641 1.00 84.03 C
|
| 497 |
+
ATOM 497 C LEU A1040 31.030 40.459 -44.041 1.00 84.03 C
|
| 498 |
+
ATOM 498 CB LEU A1040 32.979 41.842 -44.958 1.00 84.03 C
|
| 499 |
+
ATOM 499 O LEU A1040 30.780 41.244 -43.127 1.00 84.03 O
|
| 500 |
+
ATOM 500 CG LEU A1040 34.500 41.924 -45.188 1.00 84.03 C
|
| 501 |
+
ATOM 501 CD1 LEU A1040 34.846 43.336 -45.671 1.00 84.03 C
|
| 502 |
+
ATOM 502 CD2 LEU A1040 35.299 41.657 -43.909 1.00 84.03 C
|
| 503 |
+
ATOM 503 N HIS A1041 30.101 39.631 -44.536 1.00 83.82 N
|
| 504 |
+
ATOM 504 CA HIS A1041 28.716 39.503 -44.047 1.00 83.82 C
|
| 505 |
+
ATOM 505 C HIS A1041 27.925 40.831 -44.043 1.00 83.82 C
|
| 506 |
+
ATOM 506 CB HIS A1041 28.676 38.796 -42.676 1.00 83.82 C
|
| 507 |
+
ATOM 507 O HIS A1041 27.117 41.081 -43.143 1.00 83.82 O
|
| 508 |
+
ATOM 508 CG HIS A1041 29.317 37.432 -42.563 1.00 83.82 C
|
| 509 |
+
ATOM 509 CD2 HIS A1041 29.918 36.679 -43.541 1.00 83.82 C
|
| 510 |
+
ATOM 510 ND1 HIS A1041 29.379 36.699 -41.400 1.00 83.82 N
|
| 511 |
+
ATOM 511 CE1 HIS A1041 30.001 35.542 -41.666 1.00 83.82 C
|
| 512 |
+
ATOM 512 NE2 HIS A1041 30.319 35.465 -42.967 1.00 83.82 N
|
| 513 |
+
ATOM 513 N LYS A1042 28.174 41.705 -45.030 1.00 83.64 N
|
| 514 |
+
ATOM 514 CA LYS A1042 27.542 43.037 -45.115 1.00 83.64 C
|
| 515 |
+
ATOM 515 C LYS A1042 26.154 43.026 -45.761 1.00 83.64 C
|
| 516 |
+
ATOM 516 CB LYS A1042 28.481 44.016 -45.834 1.00 83.64 C
|
| 517 |
+
ATOM 517 O LYS A1042 25.365 43.919 -45.476 1.00 83.64 O
|
| 518 |
+
ATOM 518 CG LYS A1042 29.695 44.364 -44.959 1.00 83.64 C
|
| 519 |
+
ATOM 519 CD LYS A1042 30.669 45.267 -45.720 1.00 83.64 C
|
| 520 |
+
ATOM 520 CE LYS A1042 31.804 45.727 -44.800 1.00 83.64 C
|
| 521 |
+
ATOM 521 NZ LYS A1042 32.781 46.577 -45.529 1.00 83.64 N
|
| 522 |
+
ATOM 522 N TYR A1043 25.854 42.029 -46.592 1.00 87.84 N
|
| 523 |
+
ATOM 523 CA TYR A1043 24.527 41.832 -47.177 1.00 87.84 C
|
| 524 |
+
ATOM 524 C TYR A1043 23.645 41.018 -46.229 1.00 87.84 C
|
| 525 |
+
ATOM 525 CB TYR A1043 24.656 41.158 -48.552 1.00 87.84 C
|
| 526 |
+
ATOM 526 O TYR A1043 24.025 39.915 -45.831 1.00 87.84 O
|
| 527 |
+
ATOM 527 CG TYR A1043 25.555 41.912 -49.512 1.00 87.84 C
|
| 528 |
+
ATOM 528 CD1 TYR A1043 25.235 43.233 -49.866 1.00 87.84 C
|
| 529 |
+
ATOM 529 CD2 TYR A1043 26.718 41.316 -50.032 1.00 87.84 C
|
| 530 |
+
ATOM 530 CE1 TYR A1043 26.064 43.966 -50.728 1.00 87.84 C
|
| 531 |
+
ATOM 531 CE2 TYR A1043 27.544 42.040 -50.915 1.00 87.84 C
|
| 532 |
+
ATOM 532 OH TYR A1043 28.037 44.075 -52.074 1.00 87.84 O
|
| 533 |
+
ATOM 533 CZ TYR A1043 27.219 43.366 -51.261 1.00 87.84 C
|
| 534 |
+
ATOM 534 N LEU A1044 22.479 41.565 -45.873 1.00 82.02 N
|
| 535 |
+
ATOM 535 CA LEU A1044 21.450 40.881 -45.078 1.00 82.02 C
|
| 536 |
+
ATOM 536 C LEU A1044 20.145 40.689 -45.870 1.00 82.02 C
|
| 537 |
+
ATOM 537 CB LEU A1044 21.208 41.668 -43.777 1.00 82.02 C
|
| 538 |
+
ATOM 538 O LEU A1044 19.339 39.845 -45.502 1.00 82.02 O
|
| 539 |
+
ATOM 539 CG LEU A1044 22.404 41.715 -42.806 1.00 82.02 C
|
| 540 |
+
ATOM 540 CD1 LEU A1044 22.054 42.602 -41.607 1.00 82.02 C
|
| 541 |
+
ATOM 541 CD2 LEU A1044 22.782 40.334 -42.262 1.00 82.02 C
|
| 542 |
+
ATOM 542 N THR A1045 19.953 41.445 -46.951 1.00 85.65 N
|
| 543 |
+
ATOM 543 CA THR A1045 18.864 41.302 -47.930 1.00 85.65 C
|
| 544 |
+
ATOM 544 C THR A1045 19.429 41.292 -49.351 1.00 85.65 C
|
| 545 |
+
ATOM 545 CB THR A1045 17.842 42.445 -47.811 1.00 85.65 C
|
| 546 |
+
ATOM 546 O THR A1045 20.550 41.756 -49.582 1.00 85.65 O
|
| 547 |
+
ATOM 547 CG2 THR A1045 17.204 42.517 -46.429 1.00 85.65 C
|
| 548 |
+
ATOM 548 OG1 THR A1045 18.467 43.682 -48.075 1.00 85.65 O
|
| 549 |
+
ATOM 549 N VAL A1046 18.656 40.811 -50.329 1.00 88.93 N
|
| 550 |
+
ATOM 550 CA VAL A1046 19.056 40.881 -51.747 1.00 88.93 C
|
| 551 |
+
ATOM 551 C VAL A1046 19.004 42.330 -52.254 1.00 88.93 C
|
| 552 |
+
ATOM 552 CB VAL A1046 18.211 39.913 -52.598 1.00 88.93 C
|
| 553 |
+
ATOM 553 O VAL A1046 19.863 42.749 -53.031 1.00 88.93 O
|
| 554 |
+
ATOM 554 CG1 VAL A1046 18.641 39.935 -54.066 1.00 88.93 C
|
| 555 |
+
ATOM 555 CG2 VAL A1046 18.399 38.476 -52.090 1.00 88.93 C
|
| 556 |
+
ATOM 556 N LYS A1047 18.104 43.149 -51.698 1.00 88.26 N
|
| 557 |
+
ATOM 557 CA LYS A1047 18.054 44.614 -51.869 1.00 88.26 C
|
| 558 |
+
ATOM 558 C LYS A1047 19.358 45.327 -51.465 1.00 88.26 C
|
| 559 |
+
ATOM 559 CB LYS A1047 16.854 45.153 -51.062 1.00 88.26 C
|
| 560 |
+
ATOM 560 O LYS A1047 19.693 46.358 -52.043 1.00 88.26 O
|
| 561 |
+
ATOM 561 CG LYS A1047 15.501 44.632 -51.594 1.00 88.26 C
|
| 562 |
+
ATOM 562 CD LYS A1047 14.382 44.673 -50.539 1.00 88.26 C
|
| 563 |
+
ATOM 563 CE LYS A1047 13.198 43.812 -51.010 1.00 88.26 C
|
| 564 |
+
ATOM 564 NZ LYS A1047 12.206 43.572 -49.931 1.00 88.26 N
|
| 565 |
+
ATOM 565 N ASP A1048 20.135 44.803 -50.512 1.00 89.54 N
|
| 566 |
+
ATOM 566 CA ASP A1048 21.465 45.352 -50.187 1.00 89.54 C
|
| 567 |
+
ATOM 567 C ASP A1048 22.500 45.063 -51.284 1.00 89.54 C
|
| 568 |
+
ATOM 568 CB ASP A1048 21.993 44.797 -48.854 1.00 89.54 C
|
| 569 |
+
ATOM 569 O ASP A1048 23.357 45.900 -51.560 1.00 89.54 O
|
| 570 |
+
ATOM 570 CG ASP A1048 21.118 45.107 -47.648 1.00 89.54 C
|
| 571 |
+
ATOM 571 OD1 ASP A1048 20.700 46.281 -47.528 1.00 89.54 O
|
| 572 |
+
ATOM 572 OD2 ASP A1048 20.900 44.169 -46.839 1.00 89.54 O
|
| 573 |
+
ATOM 573 N TYR A1049 22.412 43.885 -51.905 1.00 92.77 N
|
| 574 |
+
ATOM 574 CA TYR A1049 23.302 43.440 -52.976 1.00 92.77 C
|
| 575 |
+
ATOM 575 C TYR A1049 23.026 44.174 -54.293 1.00 92.77 C
|
| 576 |
+
ATOM 576 CB TYR A1049 23.153 41.920 -53.115 1.00 92.77 C
|
| 577 |
+
ATOM 577 O TYR A1049 23.954 44.688 -54.917 1.00 92.77 O
|
| 578 |
+
ATOM 578 CG TYR A1049 23.837 41.338 -54.329 1.00 92.77 C
|
| 579 |
+
ATOM 579 CD1 TYR A1049 23.112 41.129 -55.520 1.00 92.77 C
|
| 580 |
+
ATOM 580 CD2 TYR A1049 25.199 41.005 -54.262 1.00 92.77 C
|
| 581 |
+
ATOM 581 CE1 TYR A1049 23.753 40.584 -56.649 1.00 92.77 C
|
| 582 |
+
ATOM 582 CE2 TYR A1049 25.834 40.448 -55.383 1.00 92.77 C
|
| 583 |
+
ATOM 583 OH TYR A1049 25.736 39.714 -57.670 1.00 92.77 O
|
| 584 |
+
ATOM 584 CZ TYR A1049 25.116 40.240 -56.582 1.00 92.77 C
|
| 585 |
+
ATOM 585 N LEU A1050 21.750 44.287 -54.679 1.00 92.14 N
|
| 586 |
+
ATOM 586 CA LEU A1050 21.334 44.988 -55.897 1.00 92.14 C
|
| 587 |
+
ATOM 587 C LEU A1050 21.805 46.449 -55.908 1.00 92.14 C
|
| 588 |
+
ATOM 588 CB LEU A1050 19.806 44.883 -56.048 1.00 92.14 C
|
| 589 |
+
ATOM 589 O LEU A1050 22.364 46.889 -56.905 1.00 92.14 O
|
| 590 |
+
ATOM 590 CG LEU A1050 19.324 43.488 -56.491 1.00 92.14 C
|
| 591 |
+
ATOM 591 CD1 LEU A1050 17.802 43.411 -56.385 1.00 92.14 C
|
| 592 |
+
ATOM 592 CD2 LEU A1050 19.731 43.181 -57.935 1.00 92.14 C
|
| 593 |
+
ATOM 593 N ARG A1051 21.726 47.158 -54.772 1.00 92.66 N
|
| 594 |
+
ATOM 594 CA ARG A1051 22.212 48.548 -54.659 1.00 92.66 C
|
| 595 |
+
ATOM 595 C ARG A1051 23.705 48.717 -54.961 1.00 92.66 C
|
| 596 |
+
ATOM 596 CB ARG A1051 21.887 49.104 -53.265 1.00 92.66 C
|
| 597 |
+
ATOM 597 O ARG A1051 24.097 49.768 -55.457 1.00 92.66 O
|
| 598 |
+
ATOM 598 CG ARG A1051 20.386 49.397 -53.123 1.00 92.66 C
|
| 599 |
+
ATOM 599 CD ARG A1051 20.029 50.019 -51.767 1.00 92.66 C
|
| 600 |
+
ATOM 600 NE ARG A1051 20.382 49.160 -50.611 1.00 92.66 N
|
| 601 |
+
ATOM 601 NH1 ARG A1051 21.621 50.695 -49.439 1.00 92.66 N
|
| 602 |
+
ATOM 602 NH2 ARG A1051 21.173 48.751 -48.489 1.00 92.66 N
|
| 603 |
+
ATOM 603 CZ ARG A1051 21.049 49.526 -49.528 1.00 92.66 C
|
| 604 |
+
ATOM 604 N ASP A1052 24.538 47.710 -54.695 1.00 93.21 N
|
| 605 |
+
ATOM 605 CA ASP A1052 25.954 47.750 -55.085 1.00 93.21 C
|
| 606 |
+
ATOM 606 C ASP A1052 26.163 47.436 -56.574 1.00 93.21 C
|
| 607 |
+
ATOM 607 CB ASP A1052 26.776 46.793 -54.215 1.00 93.21 C
|
| 608 |
+
ATOM 608 O ASP A1052 27.076 47.987 -57.188 1.00 93.21 O
|
| 609 |
+
ATOM 609 CG ASP A1052 27.165 47.377 -52.860 1.00 93.21 C
|
| 610 |
+
ATOM 610 OD1 ASP A1052 27.436 48.591 -52.736 1.00 93.21 O
|
| 611 |
+
ATOM 611 OD2 ASP A1052 27.432 46.593 -51.921 1.00 93.21 O
|
| 612 |
+
ATOM 612 N ILE A1053 25.310 46.606 -57.180 1.00 92.56 N
|
| 613 |
+
ATOM 613 CA ILE A1053 25.300 46.371 -58.632 1.00 92.56 C
|
| 614 |
+
ATOM 614 C ILE A1053 24.829 47.628 -59.387 1.00 92.56 C
|
| 615 |
+
ATOM 615 CB ILE A1053 24.443 45.125 -58.959 1.00 92.56 C
|
| 616 |
+
ATOM 616 O ILE A1053 25.447 48.027 -60.377 1.00 92.56 O
|
| 617 |
+
ATOM 617 CG1 ILE A1053 24.979 43.821 -58.317 1.00 92.56 C
|
| 618 |
+
ATOM 618 CG2 ILE A1053 24.298 44.952 -60.477 1.00 92.56 C
|
| 619 |
+
ATOM 619 CD1 ILE A1053 26.399 43.400 -58.723 1.00 92.56 C
|
| 620 |
+
ATOM 620 N ASP A1054 23.797 48.308 -58.887 1.00 93.25 N
|
| 621 |
+
ATOM 621 CA ASP A1054 23.337 49.596 -59.413 1.00 93.25 C
|
| 622 |
+
ATOM 622 C ASP A1054 24.390 50.697 -59.253 1.00 93.25 C
|
| 623 |
+
ATOM 623 CB ASP A1054 22.046 50.027 -58.707 1.00 93.25 C
|
| 624 |
+
ATOM 624 O ASP A1054 24.494 51.572 -60.113 1.00 93.25 O
|
| 625 |
+
ATOM 625 CG ASP A1054 20.841 49.177 -59.098 1.00 93.25 C
|
| 626 |
+
ATOM 626 OD1 ASP A1054 20.719 48.869 -60.309 1.00 93.25 O
|
| 627 |
+
ATOM 627 OD2 ASP A1054 20.040 48.891 -58.183 1.00 93.25 O
|
| 628 |
+
ATOM 628 N LEU A1055 25.218 50.643 -58.203 1.00 92.43 N
|
| 629 |
+
ATOM 629 CA LEU A1055 26.352 51.551 -58.029 1.00 92.43 C
|
| 630 |
+
ATOM 630 C LEU A1055 27.445 51.307 -59.083 1.00 92.43 C
|
| 631 |
+
ATOM 631 CB LEU A1055 26.867 51.439 -56.584 1.00 92.43 C
|
| 632 |
+
ATOM 632 O LEU A1055 27.932 52.276 -59.662 1.00 92.43 O
|
| 633 |
+
ATOM 633 CG LEU A1055 28.027 52.388 -56.237 1.00 92.43 C
|
| 634 |
+
ATOM 634 CD1 LEU A1055 27.661 53.864 -56.394 1.00 92.43 C
|
| 635 |
+
ATOM 635 CD2 LEU A1055 28.439 52.151 -54.785 1.00 92.43 C
|
| 636 |
+
ATOM 636 N ILE A1056 27.769 50.048 -59.422 1.00 91.71 N
|
| 637 |
+
ATOM 637 CA ILE A1056 28.648 49.728 -60.572 1.00 91.71 C
|
| 638 |
+
ATOM 638 C ILE A1056 28.072 50.344 -61.857 1.00 91.71 C
|
| 639 |
+
ATOM 639 CB ILE A1056 28.852 48.197 -60.748 1.00 91.71 C
|
| 640 |
+
ATOM 640 O ILE A1056 28.794 50.993 -62.619 1.00 91.71 O
|
| 641 |
+
ATOM 641 CG1 ILE A1056 29.532 47.560 -59.518 1.00 91.71 C
|
| 642 |
+
ATOM 642 CG2 ILE A1056 29.702 47.890 -62.000 1.00 91.71 C
|
| 643 |
+
ATOM 643 CD1 ILE A1056 29.529 46.026 -59.492 1.00 91.71 C
|
| 644 |
+
ATOM 644 N CYS A1057 26.763 50.184 -62.087 1.00 92.03 N
|
| 645 |
+
ATOM 645 CA CYS A1057 26.097 50.741 -63.263 1.00 92.03 C
|
| 646 |
+
ATOM 646 C CYS A1057 26.110 52.280 -63.277 1.00 92.03 C
|
| 647 |
+
ATOM 647 CB CYS A1057 24.674 50.174 -63.350 1.00 92.03 C
|
| 648 |
+
ATOM 648 O CYS A1057 26.361 52.885 -64.319 1.00 92.03 O
|
| 649 |
+
ATOM 649 SG CYS A1057 23.959 50.593 -64.969 1.00 92.03 S
|
| 650 |
+
ATOM 650 N SER A1058 25.873 52.914 -62.129 1.00 91.96 N
|
| 651 |
+
ATOM 651 CA SER A1058 25.823 54.373 -61.981 1.00 91.96 C
|
| 652 |
+
ATOM 652 C SER A1058 27.199 55.002 -62.181 1.00 91.96 C
|
| 653 |
+
ATOM 653 CB SER A1058 25.257 54.759 -60.611 1.00 91.96 C
|
| 654 |
+
ATOM 654 O SER A1058 27.330 55.914 -62.993 1.00 91.96 O
|
| 655 |
+
ATOM 655 OG SER A1058 23.958 54.218 -60.453 1.00 91.96 O
|
| 656 |
+
ATOM 656 N ASN A1059 28.239 54.451 -61.547 1.00 90.42 N
|
| 657 |
+
ATOM 657 CA ASN A1059 29.626 54.890 -61.719 1.00 90.42 C
|
| 658 |
+
ATOM 658 C ASN A1059 30.065 54.809 -63.192 1.00 90.42 C
|
| 659 |
+
ATOM 659 CB ASN A1059 30.540 53.994 -60.862 1.00 90.42 C
|
| 660 |
+
ATOM 660 O ASN A1059 30.694 55.726 -63.719 1.00 90.42 O
|
| 661 |
+
ATOM 661 CG ASN A1059 30.383 54.152 -59.360 1.00 90.42 C
|
| 662 |
+
ATOM 662 ND2 ASN A1059 30.957 53.238 -58.613 1.00 90.42 N
|
| 663 |
+
ATOM 663 OD1 ASN A1059 29.805 55.086 -58.837 1.00 90.42 O
|
| 664 |
+
ATOM 664 N ALA A1060 29.695 53.727 -63.886 1.00 88.95 N
|
| 665 |
+
ATOM 665 CA ALA A1060 30.000 53.559 -65.303 1.00 88.95 C
|
| 666 |
+
ATOM 666 C ALA A1060 29.262 54.573 -66.200 1.00 88.95 C
|
| 667 |
+
ATOM 667 CB ALA A1060 29.671 52.117 -65.694 1.00 88.95 C
|
| 668 |
+
ATOM 668 O ALA A1060 29.819 55.001 -67.211 1.00 88.95 O
|
| 669 |
+
ATOM 669 N LEU A1061 28.039 54.976 -65.840 1.00 88.73 N
|
| 670 |
+
ATOM 670 CA LEU A1061 27.265 55.996 -66.558 1.00 88.73 C
|
| 671 |
+
ATOM 671 C LEU A1061 27.729 57.432 -66.250 1.00 88.73 C
|
| 672 |
+
ATOM 672 CB LEU A1061 25.771 55.822 -66.225 1.00 88.73 C
|
| 673 |
+
ATOM 673 O LEU A1061 27.616 58.284 -67.133 1.00 88.73 O
|
| 674 |
+
ATOM 674 CG LEU A1061 25.114 54.565 -66.828 1.00 88.73 C
|
| 675 |
+
ATOM 675 CD1 LEU A1061 23.747 54.334 -66.181 1.00 88.73 C
|
| 676 |
+
ATOM 676 CD2 LEU A1061 24.896 54.690 -68.337 1.00 88.73 C
|
| 677 |
+
ATOM 677 N GLU A1062 28.235 57.693 -65.040 1.00 87.85 N
|
| 678 |
+
ATOM 678 CA GLU A1062 28.779 58.989 -64.601 1.00 87.85 C
|
| 679 |
+
ATOM 679 C GLU A1062 30.172 59.255 -65.194 1.00 87.85 C
|
| 680 |
+
ATOM 680 CB GLU A1062 28.770 59.042 -63.053 1.00 87.85 C
|
| 681 |
+
ATOM 681 O GLU A1062 30.422 60.357 -65.677 1.00 87.85 O
|
| 682 |
+
ATOM 682 CG GLU A1062 29.255 60.383 -62.459 1.00 87.85 C
|
| 683 |
+
ATOM 683 CD GLU A1062 29.027 60.515 -60.934 1.00 87.85 C
|
| 684 |
+
ATOM 684 OE1 GLU A1062 28.835 61.663 -60.461 1.00 87.85 O
|
| 685 |
+
ATOM 685 OE2 GLU A1062 29.040 59.482 -60.227 1.00 87.85 O
|
| 686 |
+
ATOM 686 N TYR A1063 31.055 58.247 -65.227 1.00 86.93 N
|
| 687 |
+
ATOM 687 CA TYR A1063 32.425 58.415 -65.729 1.00 86.93 C
|
| 688 |
+
ATOM 688 C TYR A1063 32.537 58.442 -67.264 1.00 86.93 C
|
| 689 |
+
ATOM 689 CB TYR A1063 33.333 57.324 -65.137 1.00 86.93 C
|
| 690 |
+
ATOM 690 O TYR A1063 33.311 59.222 -67.809 1.00 86.93 O
|
| 691 |
+
ATOM 691 CG TYR A1063 34.802 57.614 -65.376 1.00 86.93 C
|
| 692 |
+
ATOM 692 CD1 TYR A1063 35.508 56.980 -66.418 1.00 86.93 C
|
| 693 |
+
ATOM 693 CD2 TYR A1063 35.429 58.613 -64.608 1.00 86.93 C
|
| 694 |
+
ATOM 694 CE1 TYR A1063 36.831 57.370 -66.705 1.00 86.93 C
|
| 695 |
+
ATOM 695 CE2 TYR A1063 36.743 59.020 -64.905 1.00 86.93 C
|
| 696 |
+
ATOM 696 OH TYR A1063 38.683 58.838 -66.300 1.00 86.93 O
|
| 697 |
+
ATOM 697 CZ TYR A1063 37.440 58.407 -65.967 1.00 86.93 C
|
| 698 |
+
ATOM 698 N ASN A1064 31.777 57.597 -67.973 1.00 85.95 N
|
| 699 |
+
ATOM 699 CA ASN A1064 31.932 57.387 -69.419 1.00 85.95 C
|
| 700 |
+
ATOM 700 C ASN A1064 30.811 58.123 -70.189 1.00 85.95 C
|
| 701 |
+
ATOM 701 CB ASN A1064 31.921 55.871 -69.724 1.00 85.95 C
|
| 702 |
+
ATOM 702 O ASN A1064 29.667 57.666 -70.134 1.00 85.95 O
|
| 703 |
+
ATOM 703 CG ASN A1064 32.931 55.052 -68.943 1.00 85.95 C
|
| 704 |
+
ATOM 704 ND2 ASN A1064 32.563 54.565 -67.784 1.00 85.95 N
|
| 705 |
+
ATOM 705 OD1 ASN A1064 34.037 54.783 -69.366 1.00 85.95 O
|
| 706 |
+
ATOM 706 N PRO A1065 31.056 59.243 -70.897 1.00 81.94 N
|
| 707 |
+
ATOM 707 CA PRO A1065 30.045 59.921 -71.718 1.00 81.94 C
|
| 708 |
+
ATOM 708 C PRO A1065 29.804 59.228 -73.075 1.00 81.94 C
|
| 709 |
+
ATOM 709 CB PRO A1065 30.588 61.343 -71.899 1.00 81.94 C
|
| 710 |
+
ATOM 710 O PRO A1065 30.700 58.633 -73.657 1.00 81.94 O
|
| 711 |
+
ATOM 711 CG PRO A1065 32.105 61.138 -71.885 1.00 81.94 C
|
| 712 |
+
ATOM 712 CD PRO A1065 32.282 60.029 -70.851 1.00 81.94 C
|
| 713 |
+
ATOM 713 N ASP A1066 28.617 59.387 -73.677 1.00 81.90 N
|
| 714 |
+
ATOM 714 CA ASP A1066 28.239 58.715 -74.946 1.00 81.90 C
|
| 715 |
+
ATOM 715 C ASP A1066 29.011 59.167 -76.212 1.00 81.90 C
|
| 716 |
+
ATOM 716 CB ASP A1066 26.728 58.874 -75.198 1.00 81.90 C
|
| 717 |
+
ATOM 717 O ASP A1066 28.612 58.826 -77.333 1.00 81.90 O
|
| 718 |
+
ATOM 718 CG ASP A1066 25.877 58.269 -74.091 1.00 81.90 C
|
| 719 |
+
ATOM 719 OD1 ASP A1066 26.004 57.049 -73.838 1.00 81.90 O
|
| 720 |
+
ATOM 720 OD2 ASP A1066 25.118 59.031 -73.454 1.00 81.90 O
|
| 721 |
+
ATOM 721 N ARG A1067 30.081 59.959 -76.064 1.00 81.22 N
|
| 722 |
+
ATOM 722 CA ARG A1067 30.848 60.551 -77.173 1.00 81.22 C
|
| 723 |
+
ATOM 723 C ARG A1067 31.640 59.495 -77.933 1.00 81.22 C
|
| 724 |
+
ATOM 724 CB ARG A1067 31.783 61.654 -76.650 1.00 81.22 C
|
| 725 |
+
ATOM 725 O ARG A1067 31.499 59.395 -79.152 1.00 81.22 O
|
| 726 |
+
ATOM 726 CG ARG A1067 30.991 62.853 -76.113 1.00 81.22 C
|
| 727 |
+
ATOM 727 CD ARG A1067 31.930 63.992 -75.708 1.00 81.22 C
|
| 728 |
+
ATOM 728 NE ARG A1067 31.160 65.166 -75.245 1.00 81.22 N
|
| 729 |
+
ATOM 729 NH1 ARG A1067 32.791 66.748 -75.555 1.00 81.22 N
|
| 730 |
+
ATOM 730 NH2 ARG A1067 30.794 67.361 -74.767 1.00 81.22 N
|
| 731 |
+
ATOM 731 CZ ARG A1067 31.584 66.415 -75.193 1.00 81.22 C
|
| 732 |
+
ATOM 732 N ASP A1068 32.408 58.692 -77.209 1.00 84.29 N
|
| 733 |
+
ATOM 733 CA ASP A1068 33.355 57.748 -77.785 1.00 84.29 C
|
| 734 |
+
ATOM 734 C ASP A1068 32.776 56.326 -77.905 1.00 84.29 C
|
| 735 |
+
ATOM 735 CB ASP A1068 34.677 57.831 -77.010 1.00 84.29 C
|
| 736 |
+
ATOM 736 O ASP A1068 31.919 55.908 -77.116 1.00 84.29 O
|
| 737 |
+
ATOM 737 CG ASP A1068 35.418 59.090 -77.464 1.00 84.29 C
|
| 738 |
+
ATOM 738 OD1 ASP A1068 36.015 59.002 -78.563 1.00 84.29 O
|
| 739 |
+
ATOM 739 OD2 ASP A1068 35.262 60.150 -76.815 1.00 84.29 O
|
| 740 |
+
ATOM 740 N PRO A1069 33.204 55.543 -78.915 1.00 84.29 N
|
| 741 |
+
ATOM 741 CA PRO A1069 32.666 54.204 -79.142 1.00 84.29 C
|
| 742 |
+
ATOM 742 C PRO A1069 33.064 53.209 -78.040 1.00 84.29 C
|
| 743 |
+
ATOM 743 CB PRO A1069 33.191 53.795 -80.523 1.00 84.29 C
|
| 744 |
+
ATOM 744 O PRO A1069 32.315 52.267 -77.785 1.00 84.29 O
|
| 745 |
+
ATOM 745 CG PRO A1069 34.489 54.591 -80.672 1.00 84.29 C
|
| 746 |
+
ATOM 746 CD PRO A1069 34.177 55.894 -79.941 1.00 84.29 C
|
| 747 |
+
ATOM 747 N GLY A1070 34.208 53.413 -77.374 1.00 82.78 N
|
| 748 |
+
ATOM 748 CA GLY A1070 34.641 52.604 -76.229 1.00 82.78 C
|
| 749 |
+
ATOM 749 C GLY A1070 33.724 52.802 -75.022 1.00 82.78 C
|
| 750 |
+
ATOM 750 O GLY A1070 33.113 51.847 -74.541 1.00 82.78 O
|
| 751 |
+
ATOM 751 N ASP A1071 33.558 54.054 -74.610 1.00 85.58 N
|
| 752 |
+
ATOM 752 CA ASP A1071 32.687 54.525 -73.532 1.00 85.58 C
|
| 753 |
+
ATOM 753 C ASP A1071 31.252 54.016 -73.697 1.00 85.58 C
|
| 754 |
+
ATOM 754 CB ASP A1071 32.694 56.063 -73.558 1.00 85.58 C
|
| 755 |
+
ATOM 755 O ASP A1071 30.675 53.430 -72.778 1.00 85.58 O
|
| 756 |
+
ATOM 756 CG ASP A1071 34.058 56.680 -73.234 1.00 85.58 C
|
| 757 |
+
ATOM 757 OD1 ASP A1071 35.074 56.106 -73.691 1.00 85.58 O
|
| 758 |
+
ATOM 758 OD2 ASP A1071 34.048 57.736 -72.571 1.00 85.58 O
|
| 759 |
+
ATOM 759 N ARG A1072 30.695 54.133 -74.909 1.00 87.66 N
|
| 760 |
+
ATOM 760 CA ARG A1072 29.362 53.606 -75.235 1.00 87.66 C
|
| 761 |
+
ATOM 761 C ARG A1072 29.270 52.087 -75.042 1.00 87.66 C
|
| 762 |
+
ATOM 762 CB ARG A1072 29.006 54.041 -76.661 1.00 87.66 C
|
| 763 |
+
ATOM 763 O ARG A1072 28.268 51.594 -74.522 1.00 87.66 O
|
| 764 |
+
ATOM 764 CG ARG A1072 27.510 53.840 -76.955 1.00 87.66 C
|
| 765 |
+
ATOM 765 CD ARG A1072 27.130 54.296 -78.368 1.00 87.66 C
|
| 766 |
+
ATOM 766 NE ARG A1072 27.463 55.719 -78.588 1.00 87.66 N
|
| 767 |
+
ATOM 767 NH1 ARG A1072 27.569 55.701 -80.878 1.00 87.66 N
|
| 768 |
+
ATOM 768 NH2 ARG A1072 28.198 57.521 -79.750 1.00 87.66 N
|
| 769 |
+
ATOM 769 CZ ARG A1072 27.737 56.306 -79.735 1.00 87.66 C
|
| 770 |
+
ATOM 770 N LEU A1073 30.314 51.331 -75.399 1.00 88.73 N
|
| 771 |
+
ATOM 771 CA LEU A1073 30.383 49.893 -75.109 1.00 88.73 C
|
| 772 |
+
ATOM 772 C LEU A1073 30.452 49.607 -73.600 1.00 88.73 C
|
| 773 |
+
ATOM 773 CB LEU A1073 31.573 49.232 -75.840 1.00 88.73 C
|
| 774 |
+
ATOM 774 O LEU A1073 29.843 48.634 -73.152 1.00 88.73 O
|
| 775 |
+
ATOM 775 CG LEU A1073 31.162 48.450 -77.099 1.00 88.73 C
|
| 776 |
+
ATOM 776 CD1 LEU A1073 30.888 49.362 -78.292 1.00 88.73 C
|
| 777 |
+
ATOM 777 CD2 LEU A1073 32.266 47.466 -77.492 1.00 88.73 C
|
| 778 |
+
ATOM 778 N ILE A1074 31.157 50.427 -72.813 1.00 88.17 N
|
| 779 |
+
ATOM 779 CA ILE A1074 31.217 50.290 -71.347 1.00 88.17 C
|
| 780 |
+
ATOM 780 C ILE A1074 29.832 50.546 -70.739 1.00 88.17 C
|
| 781 |
+
ATOM 781 CB ILE A1074 32.324 51.190 -70.741 1.00 88.17 C
|
| 782 |
+
ATOM 782 O ILE A1074 29.349 49.705 -69.982 1.00 88.17 O
|
| 783 |
+
ATOM 783 CG1 ILE A1074 33.713 50.726 -71.241 1.00 88.17 C
|
| 784 |
+
ATOM 784 CG2 ILE A1074 32.282 51.150 -69.200 1.00 88.17 C
|
| 785 |
+
ATOM 785 CD1 ILE A1074 34.851 51.706 -70.926 1.00 88.17 C
|
| 786 |
+
ATOM 786 N ARG A1075 29.138 51.618 -71.141 1.00 91.11 N
|
| 787 |
+
ATOM 787 CA ARG A1075 27.766 51.931 -70.695 1.00 91.11 C
|
| 788 |
+
ATOM 788 C ARG A1075 26.766 50.818 -71.013 1.00 91.11 C
|
| 789 |
+
ATOM 789 CB ARG A1075 27.299 53.244 -71.334 1.00 91.11 C
|
| 790 |
+
ATOM 790 O ARG A1075 26.016 50.395 -70.132 1.00 91.11 O
|
| 791 |
+
ATOM 791 CG ARG A1075 28.051 54.472 -70.805 1.00 91.11 C
|
| 792 |
+
ATOM 792 CD ARG A1075 27.457 55.736 -71.439 1.00 91.11 C
|
| 793 |
+
ATOM 793 NE ARG A1075 27.145 56.749 -70.419 1.00 91.11 N
|
| 794 |
+
ATOM 794 NH1 ARG A1075 25.126 57.436 -71.230 1.00 91.11 N
|
| 795 |
+
ATOM 795 NH2 ARG A1075 25.952 58.380 -69.392 1.00 91.11 N
|
| 796 |
+
ATOM 796 CZ ARG A1075 26.075 57.509 -70.350 1.00 91.11 C
|
| 797 |
+
ATOM 797 N HIS A1076 26.779 50.288 -72.240 1.00 91.28 N
|
| 798 |
+
ATOM 798 CA HIS A1076 25.915 49.160 -72.608 1.00 91.28 C
|
| 799 |
+
ATOM 799 C HIS A1076 26.242 47.886 -71.812 1.00 91.28 C
|
| 800 |
+
ATOM 800 CB HIS A1076 26.000 48.890 -74.117 1.00 91.28 C
|
| 801 |
+
ATOM 801 O HIS A1076 25.326 47.173 -71.405 1.00 91.28 O
|
| 802 |
+
ATOM 802 CG HIS A1076 25.334 49.936 -74.979 1.00 91.28 C
|
| 803 |
+
ATOM 803 CD2 HIS A1076 25.852 50.496 -76.115 1.00 91.28 C
|
| 804 |
+
ATOM 804 ND1 HIS A1076 24.068 50.456 -74.819 1.00 91.28 N
|
| 805 |
+
ATOM 805 CE1 HIS A1076 23.840 51.317 -75.827 1.00 91.28 C
|
| 806 |
+
ATOM 806 NE2 HIS A1076 24.900 51.370 -76.649 1.00 91.28 N
|
| 807 |
+
ATOM 807 N ARG A1077 27.526 47.605 -71.537 1.00 91.72 N
|
| 808 |
+
ATOM 808 CA ARG A1077 27.931 46.478 -70.676 1.00 91.72 C
|
| 809 |
+
ATOM 809 C ARG A1077 27.528 46.683 -69.215 1.00 91.72 C
|
| 810 |
+
ATOM 810 CB ARG A1077 29.443 46.243 -70.771 1.00 91.72 C
|
| 811 |
+
ATOM 811 O ARG A1077 27.189 45.701 -68.568 1.00 91.72 O
|
| 812 |
+
ATOM 812 CG ARG A1077 29.877 45.630 -72.106 1.00 91.72 C
|
| 813 |
+
ATOM 813 CD ARG A1077 31.402 45.726 -72.206 1.00 91.72 C
|
| 814 |
+
ATOM 814 NE ARG A1077 31.903 45.147 -73.465 1.00 91.72 N
|
| 815 |
+
ATOM 815 NH1 ARG A1077 34.134 45.425 -73.017 1.00 91.72 N
|
| 816 |
+
ATOM 816 NH2 ARG A1077 33.503 44.561 -74.974 1.00 91.72 N
|
| 817 |
+
ATOM 817 CZ ARG A1077 33.172 45.042 -73.809 1.00 91.72 C
|
| 818 |
+
ATOM 818 N ALA A1078 27.543 47.916 -68.713 1.00 91.61 N
|
| 819 |
+
ATOM 819 CA ALA A1078 27.134 48.252 -67.352 1.00 91.61 C
|
| 820 |
+
ATOM 820 C ALA A1078 25.628 48.026 -67.141 1.00 91.61 C
|
| 821 |
+
ATOM 821 CB ALA A1078 27.539 49.702 -67.076 1.00 91.61 C
|
| 822 |
+
ATOM 822 O ALA A1078 25.237 47.316 -66.215 1.00 91.61 O
|
| 823 |
+
ATOM 823 N CYS A1079 24.795 48.528 -68.062 1.00 91.48 N
|
| 824 |
+
ATOM 824 CA CYS A1079 23.355 48.257 -68.049 1.00 91.48 C
|
| 825 |
+
ATOM 825 C CYS A1079 23.084 46.750 -68.177 1.00 91.48 C
|
| 826 |
+
ATOM 826 CB CYS A1079 22.657 49.044 -69.166 1.00 91.48 C
|
| 827 |
+
ATOM 827 O CYS A1079 22.357 46.191 -67.367 1.00 91.48 O
|
| 828 |
+
ATOM 828 SG CYS A1079 22.875 50.833 -68.921 1.00 91.48 S
|
| 829 |
+
ATOM 829 N ALA A1080 23.753 46.057 -69.107 1.00 93.04 N
|
| 830 |
+
ATOM 830 CA ALA A1080 23.600 44.610 -69.260 1.00 93.04 C
|
| 831 |
+
ATOM 831 C ALA A1080 24.067 43.800 -68.030 1.00 93.04 C
|
| 832 |
+
ATOM 832 CB ALA A1080 24.329 44.179 -70.537 1.00 93.04 C
|
| 833 |
+
ATOM 833 O ALA A1080 23.515 42.731 -67.773 1.00 93.04 O
|
| 834 |
+
ATOM 834 N LEU A1081 25.051 44.280 -67.257 1.00 92.66 N
|
| 835 |
+
ATOM 835 CA LEU A1081 25.472 43.655 -65.994 1.00 92.66 C
|
| 836 |
+
ATOM 836 C LEU A1081 24.350 43.758 -64.960 1.00 92.66 C
|
| 837 |
+
ATOM 837 CB LEU A1081 26.791 44.295 -65.515 1.00 92.66 C
|
| 838 |
+
ATOM 838 O LEU A1081 23.956 42.743 -64.390 1.00 92.66 O
|
| 839 |
+
ATOM 839 CG LEU A1081 27.436 43.637 -64.275 1.00 92.66 C
|
| 840 |
+
ATOM 840 CD1 LEU A1081 28.891 44.092 -64.174 1.00 92.66 C
|
| 841 |
+
ATOM 841 CD2 LEU A1081 26.790 44.027 -62.946 1.00 92.66 C
|
| 842 |
+
ATOM 842 N ARG A1082 23.794 44.961 -64.771 1.00 92.81 N
|
| 843 |
+
ATOM 843 CA ARG A1082 22.627 45.180 -63.907 1.00 92.81 C
|
| 844 |
+
ATOM 844 C ARG A1082 21.454 44.303 -64.346 1.00 92.81 C
|
| 845 |
+
ATOM 845 CB ARG A1082 22.271 46.676 -63.920 1.00 92.81 C
|
| 846 |
+
ATOM 846 O ARG A1082 20.941 43.523 -63.551 1.00 92.81 O
|
| 847 |
+
ATOM 847 CG ARG A1082 21.065 47.000 -63.023 1.00 92.81 C
|
| 848 |
+
ATOM 848 CD ARG A1082 20.447 48.357 -63.358 1.00 92.81 C
|
| 849 |
+
ATOM 849 NE ARG A1082 19.835 48.329 -64.704 1.00 92.81 N
|
| 850 |
+
ATOM 850 NH1 ARG A1082 19.551 50.575 -65.003 1.00 92.81 N
|
| 851 |
+
ATOM 851 NH2 ARG A1082 19.023 49.124 -66.639 1.00 92.81 N
|
| 852 |
+
ATOM 852 CZ ARG A1082 19.471 49.350 -65.440 1.00 92.81 C
|
| 853 |
+
ATOM 853 N ASP A1083 21.068 44.383 -65.614 1.00 94.02 N
|
| 854 |
+
ATOM 854 CA ASP A1083 19.870 43.721 -66.133 1.00 94.02 C
|
| 855 |
+
ATOM 855 C ASP A1083 19.991 42.185 -66.062 1.00 94.02 C
|
| 856 |
+
ATOM 856 CB ASP A1083 19.585 44.224 -67.562 1.00 94.02 C
|
| 857 |
+
ATOM 857 O ASP A1083 19.016 41.504 -65.748 1.00 94.02 O
|
| 858 |
+
ATOM 858 CG ASP A1083 19.355 45.745 -67.663 1.00 94.02 C
|
| 859 |
+
ATOM 859 OD1 ASP A1083 19.093 46.403 -66.627 1.00 94.02 O
|
| 860 |
+
ATOM 860 OD2 ASP A1083 19.464 46.292 -68.782 1.00 94.02 O
|
| 861 |
+
ATOM 861 N THR A1084 21.195 41.623 -66.251 1.00 92.41 N
|
| 862 |
+
ATOM 862 CA THR A1084 21.435 40.183 -66.027 1.00 92.41 C
|
| 863 |
+
ATOM 863 C THR A1084 21.480 39.794 -64.549 1.00 92.41 C
|
| 864 |
+
ATOM 864 CB THR A1084 22.688 39.642 -66.731 1.00 92.41 C
|
| 865 |
+
ATOM 865 O THR A1084 21.028 38.701 -64.218 1.00 92.41 O
|
| 866 |
+
ATOM 866 CG2 THR A1084 22.539 39.609 -68.251 1.00 92.41 C
|
| 867 |
+
ATOM 867 OG1 THR A1084 23.843 40.388 -66.442 1.00 92.41 O
|
| 868 |
+
ATOM 868 N ALA A1085 21.953 40.658 -63.645 1.00 92.43 N
|
| 869 |
+
ATOM 869 CA ALA A1085 21.878 40.405 -62.204 1.00 92.43 C
|
| 870 |
+
ATOM 870 C ALA A1085 20.419 40.363 -61.713 1.00 92.43 C
|
| 871 |
+
ATOM 871 CB ALA A1085 22.700 41.465 -61.462 1.00 92.43 C
|
| 872 |
+
ATOM 872 O ALA A1085 20.039 39.429 -61.007 1.00 92.43 O
|
| 873 |
+
ATOM 873 N TYR A1086 19.591 41.323 -62.143 1.00 92.66 N
|
| 874 |
+
ATOM 874 CA TYR A1086 18.150 41.338 -61.864 1.00 92.66 C
|
| 875 |
+
ATOM 875 C TYR A1086 17.427 40.120 -62.461 1.00 92.66 C
|
| 876 |
+
ATOM 876 CB TYR A1086 17.528 42.644 -62.385 1.00 92.66 C
|
| 877 |
+
ATOM 877 O TYR A1086 16.581 39.537 -61.785 1.00 92.66 O
|
| 878 |
+
ATOM 878 CG TYR A1086 17.540 43.787 -61.385 1.00 92.66 C
|
| 879 |
+
ATOM 879 CD1 TYR A1086 16.464 43.937 -60.489 1.00 92.66 C
|
| 880 |
+
ATOM 880 CD2 TYR A1086 18.603 44.708 -61.356 1.00 92.66 C
|
| 881 |
+
ATOM 881 CE1 TYR A1086 16.442 45.015 -59.585 1.00 92.66 C
|
| 882 |
+
ATOM 882 CE2 TYR A1086 18.585 45.795 -60.459 1.00 92.66 C
|
| 883 |
+
ATOM 883 OH TYR A1086 17.481 46.981 -58.699 1.00 92.66 O
|
| 884 |
+
ATOM 884 CZ TYR A1086 17.501 45.947 -59.573 1.00 92.66 C
|
| 885 |
+
ATOM 885 N ALA A1087 17.773 39.703 -63.686 1.00 92.41 N
|
| 886 |
+
ATOM 886 CA ALA A1087 17.203 38.504 -64.303 1.00 92.41 C
|
| 887 |
+
ATOM 887 C ALA A1087 17.535 37.230 -63.508 1.00 92.41 C
|
| 888 |
+
ATOM 888 CB ALA A1087 17.671 38.410 -65.760 1.00 92.41 C
|
| 889 |
+
ATOM 889 O ALA A1087 16.621 36.517 -63.110 1.00 92.41 O
|
| 890 |
+
ATOM 890 N ILE A1088 18.815 36.987 -63.189 1.00 91.50 N
|
| 891 |
+
ATOM 891 CA ILE A1088 19.242 35.797 -62.427 1.00 91.50 C
|
| 892 |
+
ATOM 892 C ILE A1088 18.582 35.762 -61.041 1.00 91.50 C
|
| 893 |
+
ATOM 893 CB ILE A1088 20.787 35.747 -62.320 1.00 91.50 C
|
| 894 |
+
ATOM 894 O ILE A1088 18.134 34.709 -60.599 1.00 91.50 O
|
| 895 |
+
ATOM 895 CG1 ILE A1088 21.434 35.527 -63.708 1.00 91.50 C
|
| 896 |
+
ATOM 896 CG2 ILE A1088 21.254 34.623 -61.374 1.00 91.50 C
|
| 897 |
+
ATOM 897 CD1 ILE A1088 22.937 35.848 -63.746 1.00 91.50 C
|
| 898 |
+
ATOM 898 N ILE A1089 18.480 36.907 -60.358 1.00 90.36 N
|
| 899 |
+
ATOM 899 CA ILE A1089 17.804 36.985 -59.055 1.00 90.36 C
|
| 900 |
+
ATOM 900 C ILE A1089 16.311 36.659 -59.187 1.00 90.36 C
|
| 901 |
+
ATOM 901 CB ILE A1089 18.094 38.352 -58.396 1.00 90.36 C
|
| 902 |
+
ATOM 902 O ILE A1089 15.795 35.908 -58.368 1.00 90.36 O
|
| 903 |
+
ATOM 903 CG1 ILE A1089 19.541 38.313 -57.848 1.00 90.36 C
|
| 904 |
+
ATOM 904 CG2 ILE A1089 17.104 38.683 -57.264 1.00 90.36 C
|
| 905 |
+
ATOM 905 CD1 ILE A1089 20.139 39.677 -57.501 1.00 90.36 C
|
| 906 |
+
ATOM 906 N LYS A1090 15.629 37.157 -60.224 1.00 88.21 N
|
| 907 |
+
ATOM 907 CA LYS A1090 14.202 36.882 -60.457 1.00 88.21 C
|
| 908 |
+
ATOM 908 C LYS A1090 13.915 35.452 -60.947 1.00 88.21 C
|
| 909 |
+
ATOM 909 CB LYS A1090 13.657 37.956 -61.411 1.00 88.21 C
|
| 910 |
+
ATOM 910 O LYS A1090 12.803 34.968 -60.773 1.00 88.21 O
|
| 911 |
+
ATOM 911 CG LYS A1090 12.137 37.836 -61.564 1.00 88.21 C
|
| 912 |
+
ATOM 912 CD LYS A1090 11.526 38.999 -62.342 1.00 88.21 C
|
| 913 |
+
ATOM 913 CE LYS A1090 10.020 38.728 -62.401 1.00 88.21 C
|
| 914 |
+
ATOM 914 NZ LYS A1090 9.288 39.812 -63.094 1.00 88.21 N
|
| 915 |
+
ATOM 915 N GLU A1091 14.884 34.790 -61.575 1.00 88.04 N
|
| 916 |
+
ATOM 916 CA GLU A1091 14.763 33.401 -62.044 1.00 88.04 C
|
| 917 |
+
ATOM 917 C GLU A1091 15.103 32.363 -60.960 1.00 88.04 C
|
| 918 |
+
ATOM 918 CB GLU A1091 15.669 33.194 -63.274 1.00 88.04 C
|
| 919 |
+
ATOM 919 O GLU A1091 14.563 31.259 -60.995 1.00 88.04 O
|
| 920 |
+
ATOM 920 CG GLU A1091 15.107 33.853 -64.548 1.00 88.04 C
|
| 921 |
+
ATOM 921 CD GLU A1091 16.051 33.783 -65.766 1.00 88.04 C
|
| 922 |
+
ATOM 922 OE1 GLU A1091 15.664 34.347 -66.817 1.00 88.04 O
|
| 923 |
+
ATOM 923 OE2 GLU A1091 17.154 33.192 -65.673 1.00 88.04 O
|
| 924 |
+
ATOM 924 N GLU A1092 16.003 32.686 -60.021 1.00 87.33 N
|
| 925 |
+
ATOM 925 CA GLU A1092 16.612 31.697 -59.113 1.00 87.33 C
|
| 926 |
+
ATOM 926 C GLU A1092 16.362 31.946 -57.611 1.00 87.33 C
|
| 927 |
+
ATOM 927 CB GLU A1092 18.123 31.562 -59.414 1.00 87.33 C
|
| 928 |
+
ATOM 928 O GLU A1092 16.710 31.085 -56.800 1.00 87.33 O
|
| 929 |
+
ATOM 929 CG GLU A1092 18.418 31.187 -60.876 1.00 87.33 C
|
| 930 |
+
ATOM 930 CD GLU A1092 19.898 30.934 -61.214 1.00 87.33 C
|
| 931 |
+
ATOM 931 OE1 GLU A1092 20.166 30.577 -62.389 1.00 87.33 O
|
| 932 |
+
ATOM 932 OE2 GLU A1092 20.823 31.067 -60.374 1.00 87.33 O
|
| 933 |
+
ATOM 933 N LEU A1093 15.772 33.084 -57.217 1.00 84.68 N
|
| 934 |
+
ATOM 934 CA LEU A1093 15.393 33.374 -55.827 1.00 84.68 C
|
| 935 |
+
ATOM 935 C LEU A1093 13.885 33.172 -55.605 1.00 84.68 C
|
| 936 |
+
ATOM 936 CB LEU A1093 15.808 34.809 -55.455 1.00 84.68 C
|
| 937 |
+
ATOM 937 O LEU A1093 13.065 33.682 -56.362 1.00 84.68 O
|
| 938 |
+
ATOM 938 CG LEU A1093 15.868 35.038 -53.933 1.00 84.68 C
|
| 939 |
+
ATOM 939 CD1 LEU A1093 17.261 34.708 -53.387 1.00 84.68 C
|
| 940 |
+
ATOM 940 CD2 LEU A1093 15.560 36.495 -53.603 1.00 84.68 C
|
| 941 |
+
ATOM 941 N ASP A1094 13.527 32.479 -54.526 1.00 85.67 N
|
| 942 |
+
ATOM 942 CA ASP A1094 12.142 32.336 -54.065 1.00 85.67 C
|
| 943 |
+
ATOM 943 C ASP A1094 11.678 33.602 -53.310 1.00 85.67 C
|
| 944 |
+
ATOM 944 CB ASP A1094 12.059 31.059 -53.208 1.00 85.67 C
|
| 945 |
+
ATOM 945 O ASP A1094 12.402 34.124 -52.452 1.00 85.67 O
|
| 946 |
+
ATOM 946 CG ASP A1094 10.637 30.568 -52.916 1.00 85.67 C
|
| 947 |
+
ATOM 947 OD1 ASP A1094 9.691 31.374 -53.053 1.00 85.67 O
|
| 948 |
+
ATOM 948 OD2 ASP A1094 10.525 29.379 -52.544 1.00 85.67 O
|
| 949 |
+
ATOM 949 N GLU A1095 10.465 34.087 -53.594 1.00 82.31 N
|
| 950 |
+
ATOM 950 CA GLU A1095 9.864 35.250 -52.923 1.00 82.31 C
|
| 951 |
+
ATOM 951 C GLU A1095 9.647 34.987 -51.420 1.00 82.31 C
|
| 952 |
+
ATOM 952 CB GLU A1095 8.528 35.644 -53.594 1.00 82.31 C
|
| 953 |
+
ATOM 953 O GLU A1095 9.813 35.898 -50.599 1.00 82.31 O
|
| 954 |
+
ATOM 954 CG GLU A1095 8.686 36.140 -55.048 1.00 82.31 C
|
| 955 |
+
ATOM 955 CD GLU A1095 7.388 36.686 -55.689 1.00 82.31 C
|
| 956 |
+
ATOM 956 OE1 GLU A1095 7.456 37.085 -56.878 1.00 82.31 O
|
| 957 |
+
ATOM 957 OE2 GLU A1095 6.337 36.740 -55.009 1.00 82.31 O
|
| 958 |
+
ATOM 958 N ASP A1096 9.355 33.739 -51.033 1.00 84.95 N
|
| 959 |
+
ATOM 959 CA ASP A1096 9.245 33.329 -49.624 1.00 84.95 C
|
| 960 |
+
ATOM 960 C ASP A1096 10.614 33.382 -48.909 1.00 84.95 C
|
| 961 |
+
ATOM 961 CB ASP A1096 8.638 31.908 -49.532 1.00 84.95 C
|
| 962 |
+
ATOM 962 O ASP A1096 10.688 33.640 -47.702 1.00 84.95 O
|
| 963 |
+
ATOM 963 CG ASP A1096 7.097 31.832 -49.538 1.00 84.95 C
|
| 964 |
+
ATOM 964 OD1 ASP A1096 6.429 32.883 -49.672 1.00 84.95 O
|
| 965 |
+
ATOM 965 OD2 ASP A1096 6.576 30.714 -49.295 1.00 84.95 O
|
| 966 |
+
ATOM 966 N PHE A1097 11.724 33.191 -49.636 1.00 88.31 N
|
| 967 |
+
ATOM 967 CA PHE A1097 13.077 33.224 -49.068 1.00 88.31 C
|
| 968 |
+
ATOM 968 C PHE A1097 13.585 34.655 -48.831 1.00 88.31 C
|
| 969 |
+
ATOM 969 CB PHE A1097 14.037 32.406 -49.945 1.00 88.31 C
|
| 970 |
+
ATOM 970 O PHE A1097 14.267 34.895 -47.827 1.00 88.31 O
|
| 971 |
+
ATOM 971 CG PHE A1097 15.440 32.269 -49.377 1.00 88.31 C
|
| 972 |
+
ATOM 972 CD1 PHE A1097 16.439 33.191 -49.739 1.00 88.31 C
|
| 973 |
+
ATOM 973 CD2 PHE A1097 15.751 31.220 -48.489 1.00 88.31 C
|
| 974 |
+
ATOM 974 CE1 PHE A1097 17.740 33.068 -49.219 1.00 88.31 C
|
| 975 |
+
ATOM 975 CE2 PHE A1097 17.052 31.095 -47.967 1.00 88.31 C
|
| 976 |
+
ATOM 976 CZ PHE A1097 18.044 32.022 -48.329 1.00 88.31 C
|
| 977 |
+
ATOM 977 N GLU A1098 13.234 35.629 -49.684 1.00 85.55 N
|
| 978 |
+
ATOM 978 CA GLU A1098 13.533 37.040 -49.380 1.00 85.55 C
|
| 979 |
+
ATOM 979 C GLU A1098 12.733 37.518 -48.159 1.00 85.55 C
|
| 980 |
+
ATOM 980 CB GLU A1098 13.359 37.982 -50.592 1.00 85.55 C
|
| 981 |
+
ATOM 981 O GLU A1098 13.324 38.083 -47.234 1.00 85.55 O
|
| 982 |
+
ATOM 982 CG GLU A1098 13.896 39.379 -50.212 1.00 85.55 C
|
| 983 |
+
ATOM 983 CD GLU A1098 14.105 40.376 -51.363 1.00 85.55 C
|
| 984 |
+
ATOM 984 OE1 GLU A1098 15.115 41.125 -51.282 1.00 85.55 O
|
| 985 |
+
ATOM 985 OE2 GLU A1098 13.232 40.497 -52.245 1.00 85.55 O
|
| 986 |
+
ATOM 986 N GLN A1099 11.432 37.208 -48.092 1.00 86.60 N
|
| 987 |
+
ATOM 987 CA GLN A1099 10.590 37.523 -46.929 1.00 86.60 C
|
| 988 |
+
ATOM 988 C GLN A1099 11.153 36.928 -45.628 1.00 86.60 C
|
| 989 |
+
ATOM 989 CB GLN A1099 9.168 36.996 -47.165 1.00 86.60 C
|
| 990 |
+
ATOM 990 O GLN A1099 11.228 37.623 -44.612 1.00 86.60 O
|
| 991 |
+
ATOM 991 CG GLN A1099 8.381 37.815 -48.195 1.00 86.60 C
|
| 992 |
+
ATOM 992 CD GLN A1099 7.049 37.137 -48.493 1.00 86.60 C
|
| 993 |
+
ATOM 993 NE2 GLN A1099 6.913 36.524 -49.645 1.00 86.60 N
|
| 994 |
+
ATOM 994 OE1 GLN A1099 6.149 37.108 -47.667 1.00 86.60 O
|
| 995 |
+
ATOM 995 N LEU A1100 11.623 35.674 -45.657 1.00 87.48 N
|
| 996 |
+
ATOM 996 CA LEU A1100 12.270 35.035 -44.507 1.00 87.48 C
|
| 997 |
+
ATOM 997 C LEU A1100 13.557 35.765 -44.080 1.00 87.48 C
|
| 998 |
+
ATOM 998 CB LEU A1100 12.538 33.560 -44.862 1.00 87.48 C
|
| 999 |
+
ATOM 999 O LEU A1100 13.806 35.933 -42.884 1.00 87.48 O
|
| 1000 |
+
ATOM 1000 CG LEU A1100 13.133 32.724 -43.714 1.00 87.48 C
|
| 1001 |
+
ATOM 1001 CD1 LEU A1100 12.182 32.606 -42.520 1.00 87.48 C
|
| 1002 |
+
ATOM 1002 CD2 LEU A1100 13.447 31.313 -44.211 1.00 87.48 C
|
| 1003 |
+
ATOM 1003 N CYS A1101 14.369 36.239 -45.031 1.00 86.16 N
|
| 1004 |
+
ATOM 1004 CA CYS A1101 15.561 37.034 -44.723 1.00 86.16 C
|
| 1005 |
+
ATOM 1005 C CYS A1101 15.201 38.384 -44.074 1.00 86.16 C
|
| 1006 |
+
ATOM 1006 CB CYS A1101 16.403 37.225 -45.994 1.00 86.16 C
|
| 1007 |
+
ATOM 1007 O CYS A1101 15.885 38.820 -43.141 1.00 86.16 O
|
| 1008 |
+
ATOM 1008 SG CYS A1101 17.130 35.641 -46.512 1.00 86.16 S
|
| 1009 |
+
ATOM 1009 N GLU A1102 14.111 39.025 -44.508 1.00 86.48 N
|
| 1010 |
+
ATOM 1010 CA GLU A1102 13.619 40.279 -43.925 1.00 86.48 C
|
| 1011 |
+
ATOM 1011 C GLU A1102 13.007 40.078 -42.525 1.00 86.48 C
|
| 1012 |
+
ATOM 1012 CB GLU A1102 12.686 41.018 -44.908 1.00 86.48 C
|
| 1013 |
+
ATOM 1013 O GLU A1102 13.370 40.819 -41.606 1.00 86.48 O
|
| 1014 |
+
ATOM 1014 CG GLU A1102 13.486 41.477 -46.142 1.00 86.48 C
|
| 1015 |
+
ATOM 1015 CD GLU A1102 12.776 42.496 -47.045 1.00 86.48 C
|
| 1016 |
+
ATOM 1016 OE1 GLU A1102 13.458 43.444 -47.501 1.00 86.48 O
|
| 1017 |
+
ATOM 1017 OE2 GLU A1102 11.588 42.347 -47.392 1.00 86.48 O
|
| 1018 |
+
ATOM 1018 N GLU A1103 12.200 39.032 -42.289 1.00 88.66 N
|
| 1019 |
+
ATOM 1019 CA GLU A1103 11.689 38.693 -40.945 1.00 88.66 C
|
| 1020 |
+
ATOM 1020 C GLU A1103 12.837 38.374 -39.967 1.00 88.66 C
|
| 1021 |
+
ATOM 1021 CB GLU A1103 10.687 37.515 -40.996 1.00 88.66 C
|
| 1022 |
+
ATOM 1022 O GLU A1103 12.837 38.810 -38.806 1.00 88.66 O
|
| 1023 |
+
ATOM 1023 CG GLU A1103 10.030 37.317 -39.610 1.00 88.66 C
|
| 1024 |
+
ATOM 1024 CD GLU A1103 9.046 36.140 -39.472 1.00 88.66 C
|
| 1025 |
+
ATOM 1025 OE1 GLU A1103 8.327 36.139 -38.441 1.00 88.66 O
|
| 1026 |
+
ATOM 1026 OE2 GLU A1103 9.068 35.212 -40.308 1.00 88.66 O
|
| 1027 |
+
ATOM 1027 N ILE A1104 13.871 37.661 -40.423 1.00 86.51 N
|
| 1028 |
+
ATOM 1028 CA ILE A1104 15.057 37.393 -39.603 1.00 86.51 C
|
| 1029 |
+
ATOM 1029 C ILE A1104 15.821 38.696 -39.314 1.00 86.51 C
|
| 1030 |
+
ATOM 1030 CB ILE A1104 15.924 36.282 -40.228 1.00 86.51 C
|
| 1031 |
+
ATOM 1031 O ILE A1104 16.238 38.919 -38.172 1.00 86.51 O
|
| 1032 |
+
ATOM 1032 CG1 ILE A1104 15.163 34.934 -40.162 1.00 86.51 C
|
| 1033 |
+
ATOM 1033 CG2 ILE A1104 17.252 36.163 -39.460 1.00 86.51 C
|
| 1034 |
+
ATOM 1034 CD1 ILE A1104 15.828 33.810 -40.964 1.00 86.51 C
|
| 1035 |
+
ATOM 1035 N GLN A1105 15.963 39.603 -40.286 1.00 84.95 N
|
| 1036 |
+
ATOM 1036 CA GLN A1105 16.584 40.909 -40.046 1.00 84.95 C
|
| 1037 |
+
ATOM 1037 C GLN A1105 15.775 41.748 -39.036 1.00 84.95 C
|
| 1038 |
+
ATOM 1038 CB GLN A1105 16.781 41.661 -41.373 1.00 84.95 C
|
| 1039 |
+
ATOM 1039 O GLN A1105 16.355 42.333 -38.115 1.00 84.95 O
|
| 1040 |
+
ATOM 1040 CG GLN A1105 17.835 42.765 -41.209 1.00 84.95 C
|
| 1041 |
+
ATOM 1041 CD GLN A1105 17.730 43.839 -42.281 1.00 84.95 C
|
| 1042 |
+
ATOM 1042 NE2 GLN A1105 18.484 43.768 -43.350 1.00 84.95 N
|
| 1043 |
+
ATOM 1043 OE1 GLN A1105 16.997 44.802 -42.126 1.00 84.95 O
|
| 1044 |
+
ATOM 1044 N GLU A1106 14.444 41.776 -39.148 1.00 85.73 N
|
| 1045 |
+
ATOM 1045 CA GLU A1106 13.565 42.438 -38.179 1.00 85.73 C
|
| 1046 |
+
ATOM 1046 C GLU A1106 13.654 41.823 -36.784 1.00 85.73 C
|
| 1047 |
+
ATOM 1047 CB GLU A1106 12.096 42.366 -38.599 1.00 85.73 C
|
| 1048 |
+
ATOM 1048 O GLU A1106 13.761 42.544 -35.792 1.00 85.73 O
|
| 1049 |
+
ATOM 1049 CG GLU A1106 11.697 43.374 -39.685 1.00 85.73 C
|
| 1050 |
+
ATOM 1050 CD GLU A1106 10.242 43.854 -39.528 1.00 85.73 C
|
| 1051 |
+
ATOM 1051 OE1 GLU A1106 9.923 44.882 -40.149 1.00 85.73 O
|
| 1052 |
+
ATOM 1052 OE2 GLU A1106 9.510 43.319 -38.656 1.00 85.73 O
|
| 1053 |
+
ATOM 1053 N SER A1107 13.609 40.498 -36.671 1.00 83.11 N
|
| 1054 |
+
ATOM 1054 CA SER A1107 13.675 39.828 -35.372 1.00 83.11 C
|
| 1055 |
+
ATOM 1055 C SER A1107 15.049 39.998 -34.713 1.00 83.11 C
|
| 1056 |
+
ATOM 1056 CB SER A1107 13.271 38.360 -35.496 1.00 83.11 C
|
| 1057 |
+
ATOM 1057 O SER A1107 15.123 40.058 -33.484 1.00 83.11 O
|
| 1058 |
+
ATOM 1058 OG SER A1107 14.239 37.672 -36.245 1.00 83.11 O
|
| 1059 |
+
ATOM 1059 N ARG A1108 16.135 40.147 -35.487 1.00 82.21 N
|
| 1060 |
+
ATOM 1060 CA ARG A1108 17.465 40.533 -34.976 1.00 82.21 C
|
| 1061 |
+
ATOM 1061 C ARG A1108 17.516 41.989 -34.513 1.00 82.21 C
|
| 1062 |
+
ATOM 1062 CB ARG A1108 18.550 40.233 -36.023 1.00 82.21 C
|
| 1063 |
+
ATOM 1063 O ARG A1108 18.040 42.238 -33.426 1.00 82.21 O
|
| 1064 |
+
ATOM 1064 CG ARG A1108 18.840 38.728 -36.064 1.00 82.21 C
|
| 1065 |
+
ATOM 1065 CD ARG A1108 19.941 38.369 -37.065 1.00 82.21 C
|
| 1066 |
+
ATOM 1066 NE ARG A1108 20.238 36.935 -36.937 1.00 82.21 N
|
| 1067 |
+
ATOM 1067 NH1 ARG A1108 22.292 36.754 -37.955 1.00 82.21 N
|
| 1068 |
+
ATOM 1068 NH2 ARG A1108 21.399 35.027 -36.835 1.00 82.21 N
|
| 1069 |
+
ATOM 1069 CZ ARG A1108 21.317 36.254 -37.250 1.00 82.21 C
|
| 1070 |
+
TER 1070 ARG A1108
|
| 1071 |
+
END
|
6s56/6s56_af2_holo_ligand.sdf
ADDED
|
@@ -0,0 +1,75 @@
|
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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 |
+
33 36 0 0 0 0 0 0 0 0999 V2000
|
| 5 |
+
35.5071 50.6547 -67.8232 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 6 |
+
35.3804 51.7588 -66.8609 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 7 |
+
36.5677 52.6054 -66.6723 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 8 |
+
34.2327 51.6962 -65.7118 S 0 0 0 0 0 0 0 0 0 0 0 0
|
| 9 |
+
33.0473 51.1935 -66.3318 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 10 |
+
34.2077 52.9841 -65.0828 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 11 |
+
34.7498 50.4763 -64.5116 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 12 |
+
35.9878 49.8614 -64.7067 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 13 |
+
36.4583 48.9071 -63.8050 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 14 |
+
37.6790 48.1882 -63.9175 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 15 |
+
38.6708 48.2655 -64.8454 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 16 |
+
38.6734 49.0538 -65.7849 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 17 |
+
39.7918 47.2448 -64.6335 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 18 |
+
41.1446 47.3285 -65.1886 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 19 |
+
42.0465 48.3526 -64.9373 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 20 |
+
41.8215 49.3658 -64.2995 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 21 |
+
43.2059 48.0317 -65.5659 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 22 |
+
43.1894 46.7252 -66.2275 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 23 |
+
44.1377 45.7283 -65.5247 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 24 |
+
45.5322 45.6660 -66.1237 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 25 |
+
45.4237 45.1996 -67.5546 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 26 |
+
44.5213 46.1086 -68.3396 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 27 |
+
44.7316 46.2527 -69.7094 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 28 |
+
43.9294 47.0819 -70.4697 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 29 |
+
42.9084 47.7825 -69.8753 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 30 |
+
42.6797 47.6581 -68.5134 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 31 |
+
43.4693 46.8168 -67.7302 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 32 |
+
41.7190 46.3278 -65.9434 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 33 |
+
41.1784 45.2857 -66.2682 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 34 |
+
35.6684 48.5349 -62.7241 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 35 |
+
34.4417 49.1322 -62.5162 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 36 |
+
33.9753 50.0948 -63.3947 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 37 |
+
32.4075 50.7809 -63.0801 Cl 0 0 0 0 0 0 0 0 0 0 0 0
|
| 38 |
+
7 4 1 0
|
| 39 |
+
8 7 2 0
|
| 40 |
+
7 32 1 0
|
| 41 |
+
11 13 1 0
|
| 42 |
+
13 14 1 0
|
| 43 |
+
2 1 1 0
|
| 44 |
+
2 3 1 0
|
| 45 |
+
4 2 1 0
|
| 46 |
+
4 5 2 0
|
| 47 |
+
4 6 2 0
|
| 48 |
+
9 8 1 0
|
| 49 |
+
10 9 1 0
|
| 50 |
+
9 30 2 0
|
| 51 |
+
10 11 1 0
|
| 52 |
+
11 12 2 0
|
| 53 |
+
14 15 1 0
|
| 54 |
+
14 28 1 0
|
| 55 |
+
15 16 2 0
|
| 56 |
+
15 17 1 0
|
| 57 |
+
17 18 1 0
|
| 58 |
+
18 19 1 0
|
| 59 |
+
18 27 1 0
|
| 60 |
+
18 28 1 0
|
| 61 |
+
19 20 1 0
|
| 62 |
+
20 21 1 0
|
| 63 |
+
21 22 1 0
|
| 64 |
+
22 23 2 0
|
| 65 |
+
22 27 1 0
|
| 66 |
+
23 24 1 0
|
| 67 |
+
24 25 2 0
|
| 68 |
+
25 26 1 0
|
| 69 |
+
26 27 2 0
|
| 70 |
+
28 29 2 0
|
| 71 |
+
30 31 1 0
|
| 72 |
+
31 32 2 0
|
| 73 |
+
32 33 1 0
|
| 74 |
+
M END
|
| 75 |
+
$$$$
|
6s56/6s56_af2_holo_protein.pdb
ADDED
|
The diff for this file is too large to render.
See raw diff
|
|
|
6s57/6s57_af2_apo_protein.pdb
ADDED
|
@@ -0,0 +1,1071 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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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 |
+
ATOM 1 N GLN A 981 20.026 28.537 -36.563 1.00 84.74 N
|
| 2 |
+
ATOM 2 CA GLN A 981 19.127 28.376 -37.719 1.00 84.74 C
|
| 3 |
+
ATOM 3 C GLN A 981 19.116 29.611 -38.634 1.00 84.74 C
|
| 4 |
+
ATOM 4 CB GLN A 981 17.701 28.057 -37.232 1.00 84.74 C
|
| 5 |
+
ATOM 5 O GLN A 981 19.132 29.482 -39.855 1.00 84.74 O
|
| 6 |
+
ATOM 6 CG GLN A 981 17.573 26.612 -36.730 1.00 84.74 C
|
| 7 |
+
ATOM 7 CD GLN A 981 16.167 26.291 -36.232 1.00 84.74 C
|
| 8 |
+
ATOM 8 NE2 GLN A 981 15.418 25.489 -36.956 1.00 84.74 N
|
| 9 |
+
ATOM 9 OE1 GLN A 981 15.696 26.724 -35.193 1.00 84.74 O
|
| 10 |
+
ATOM 10 N GLU A 982 19.125 30.809 -38.054 1.00 87.19 N
|
| 11 |
+
ATOM 11 CA GLU A 982 19.200 32.075 -38.792 1.00 87.19 C
|
| 12 |
+
ATOM 12 C GLU A 982 20.572 32.293 -39.453 1.00 87.19 C
|
| 13 |
+
ATOM 13 CB GLU A 982 18.987 33.211 -37.796 1.00 87.19 C
|
| 14 |
+
ATOM 14 O GLU A 982 20.678 32.930 -40.498 1.00 87.19 O
|
| 15 |
+
ATOM 15 CG GLU A 982 17.605 33.312 -37.145 1.00 87.19 C
|
| 16 |
+
ATOM 16 CD GLU A 982 17.698 34.186 -35.887 1.00 87.19 C
|
| 17 |
+
ATOM 17 OE1 GLU A 982 16.881 34.031 -34.954 1.00 87.19 O
|
| 18 |
+
ATOM 18 OE2 GLU A 982 18.564 35.094 -35.820 1.00 87.19 O
|
| 19 |
+
ATOM 19 N GLU A 983 21.655 31.797 -38.849 1.00 84.08 N
|
| 20 |
+
ATOM 20 CA GLU A 983 22.974 31.794 -39.489 1.00 84.08 C
|
| 21 |
+
ATOM 21 C GLU A 983 23.022 30.907 -40.733 1.00 84.08 C
|
| 22 |
+
ATOM 22 CB GLU A 983 24.043 31.286 -38.521 1.00 84.08 C
|
| 23 |
+
ATOM 23 O GLU A 983 23.758 31.242 -41.668 1.00 84.08 O
|
| 24 |
+
ATOM 24 CG GLU A 983 24.567 32.335 -37.544 1.00 84.08 C
|
| 25 |
+
ATOM 25 CD GLU A 983 25.625 31.648 -36.677 1.00 84.08 C
|
| 26 |
+
ATOM 26 OE1 GLU A 983 25.328 31.345 -35.499 1.00 84.08 O
|
| 27 |
+
ATOM 27 OE2 GLU A 983 26.722 31.385 -37.235 1.00 84.08 O
|
| 28 |
+
ATOM 28 N ASP A 984 22.273 29.801 -40.739 1.00 87.06 N
|
| 29 |
+
ATOM 29 CA ASP A 984 22.204 28.856 -41.852 1.00 87.06 C
|
| 30 |
+
ATOM 30 C ASP A 984 21.340 29.384 -43.011 1.00 87.06 C
|
| 31 |
+
ATOM 31 CB ASP A 984 21.809 27.451 -41.350 1.00 87.06 C
|
| 32 |
+
ATOM 32 O ASP A 984 21.807 29.335 -44.148 1.00 87.06 O
|
| 33 |
+
ATOM 33 CG ASP A 984 22.975 26.679 -40.697 1.00 87.06 C
|
| 34 |
+
ATOM 34 OD1 ASP A 984 24.156 27.030 -40.960 1.00 87.06 O
|
| 35 |
+
ATOM 35 OD2 ASP A 984 22.719 25.679 -39.991 1.00 87.06 O
|
| 36 |
+
ATOM 36 N THR A 985 20.203 30.049 -42.770 1.00 86.99 N
|
| 37 |
+
ATOM 37 CA THR A 985 19.482 30.751 -43.861 1.00 86.99 C
|
| 38 |
+
ATOM 38 C THR A 985 20.323 31.895 -44.443 1.00 86.99 C
|
| 39 |
+
ATOM 39 CB THR A 985 18.116 31.294 -43.423 1.00 86.99 C
|
| 40 |
+
ATOM 40 O THR A 985 20.489 32.009 -45.660 1.00 86.99 O
|
| 41 |
+
ATOM 41 CG2 THR A 985 17.159 30.198 -42.965 1.00 86.99 C
|
| 42 |
+
ATOM 42 OG1 THR A 985 18.255 32.195 -42.350 1.00 86.99 O
|
| 43 |
+
ATOM 43 N PHE A 986 21.007 32.686 -43.603 1.00 87.32 N
|
| 44 |
+
ATOM 44 CA PHE A 986 21.990 33.656 -44.101 1.00 87.32 C
|
| 45 |
+
ATOM 45 C PHE A 986 23.218 32.990 -44.752 1.00 87.32 C
|
| 46 |
+
ATOM 46 CB PHE A 986 22.428 34.624 -42.989 1.00 87.32 C
|
| 47 |
+
ATOM 47 O PHE A 986 23.963 33.658 -45.473 1.00 87.32 O
|
| 48 |
+
ATOM 48 CG PHE A 986 21.404 35.664 -42.560 1.00 87.32 C
|
| 49 |
+
ATOM 49 CD1 PHE A 986 20.723 36.448 -43.513 1.00 87.32 C
|
| 50 |
+
ATOM 50 CD2 PHE A 986 21.162 35.884 -41.192 1.00 87.32 C
|
| 51 |
+
ATOM 51 CE1 PHE A 986 19.786 37.411 -43.103 1.00 87.32 C
|
| 52 |
+
ATOM 52 CE2 PHE A 986 20.239 36.861 -40.783 1.00 87.32 C
|
| 53 |
+
ATOM 53 CZ PHE A 986 19.542 37.621 -41.737 1.00 87.32 C
|
| 54 |
+
ATOM 54 N ARG A 987 23.505 31.703 -44.506 1.00 86.62 N
|
| 55 |
+
ATOM 55 CA ARG A 987 24.567 30.941 -45.197 1.00 86.62 C
|
| 56 |
+
ATOM 56 C ARG A 987 24.130 30.589 -46.610 1.00 86.62 C
|
| 57 |
+
ATOM 57 CB ARG A 987 24.927 29.676 -44.397 1.00 86.62 C
|
| 58 |
+
ATOM 58 O ARG A 987 24.924 30.782 -47.526 1.00 86.62 O
|
| 59 |
+
ATOM 59 CG ARG A 987 26.242 29.008 -44.818 1.00 86.62 C
|
| 60 |
+
ATOM 60 CD ARG A 987 26.406 27.632 -44.141 1.00 86.62 C
|
| 61 |
+
ATOM 61 NE ARG A 987 26.214 27.673 -42.675 1.00 86.62 N
|
| 62 |
+
ATOM 62 NH1 ARG A 987 28.184 28.629 -41.976 1.00 86.62 N
|
| 63 |
+
ATOM 63 NH2 ARG A 987 26.528 28.235 -40.521 1.00 86.62 N
|
| 64 |
+
ATOM 64 CZ ARG A 987 26.983 28.179 -41.735 1.00 86.62 C
|
| 65 |
+
ATOM 65 N GLU A 988 22.887 30.156 -46.779 1.00 88.68 N
|
| 66 |
+
ATOM 66 CA GLU A 988 22.256 29.908 -48.078 1.00 88.68 C
|
| 67 |
+
ATOM 67 C GLU A 988 22.219 31.195 -48.914 1.00 88.68 C
|
| 68 |
+
ATOM 68 CB GLU A 988 20.865 29.293 -47.850 1.00 88.68 C
|
| 69 |
+
ATOM 69 O GLU A 988 22.745 31.199 -50.027 1.00 88.68 O
|
| 70 |
+
ATOM 70 CG GLU A 988 20.999 27.865 -47.283 1.00 88.68 C
|
| 71 |
+
ATOM 71 CD GLU A 988 19.704 27.276 -46.703 1.00 88.68 C
|
| 72 |
+
ATOM 72 OE1 GLU A 988 19.739 26.058 -46.412 1.00 88.68 O
|
| 73 |
+
ATOM 73 OE2 GLU A 988 18.730 28.036 -46.503 1.00 88.68 O
|
| 74 |
+
ATOM 74 N LEU A 989 21.788 32.326 -48.335 1.00 88.76 N
|
| 75 |
+
ATOM 75 CA LEU A 989 21.848 33.647 -48.985 1.00 88.76 C
|
| 76 |
+
ATOM 76 C LEU A 989 23.277 34.010 -49.443 1.00 88.76 C
|
| 77 |
+
ATOM 77 CB LEU A 989 21.286 34.705 -48.010 1.00 88.76 C
|
| 78 |
+
ATOM 78 O LEU A 989 23.486 34.440 -50.577 1.00 88.76 O
|
| 79 |
+
ATOM 79 CG LEU A 989 21.212 36.135 -48.590 1.00 88.76 C
|
| 80 |
+
ATOM 80 CD1 LEU A 989 20.142 36.275 -49.668 1.00 88.76 C
|
| 81 |
+
ATOM 81 CD2 LEU A 989 20.907 37.145 -47.483 1.00 88.76 C
|
| 82 |
+
ATOM 82 N ARG A 990 24.296 33.801 -48.594 1.00 89.25 N
|
| 83 |
+
ATOM 83 CA ARG A 990 25.708 34.051 -48.958 1.00 89.25 C
|
| 84 |
+
ATOM 84 C ARG A 990 26.225 33.097 -50.040 1.00 89.25 C
|
| 85 |
+
ATOM 85 CB ARG A 990 26.610 33.985 -47.714 1.00 89.25 C
|
| 86 |
+
ATOM 86 O ARG A 990 27.080 33.499 -50.824 1.00 89.25 O
|
| 87 |
+
ATOM 87 CG ARG A 990 26.532 35.249 -46.839 1.00 89.25 C
|
| 88 |
+
ATOM 88 CD ARG A 990 27.289 35.064 -45.512 1.00 89.25 C
|
| 89 |
+
ATOM 89 NE ARG A 990 26.573 34.111 -44.641 1.00 89.25 N
|
| 90 |
+
ATOM 90 NH1 ARG A 990 28.242 33.489 -43.189 1.00 89.25 N
|
| 91 |
+
ATOM 91 NH2 ARG A 990 26.216 32.624 -42.950 1.00 89.25 N
|
| 92 |
+
ATOM 92 CZ ARG A 990 27.014 33.421 -43.608 1.00 89.25 C
|
| 93 |
+
ATOM 93 N ILE A 991 25.753 31.851 -50.094 1.00 88.95 N
|
| 94 |
+
ATOM 94 CA ILE A 991 26.095 30.900 -51.166 1.00 88.95 C
|
| 95 |
+
ATOM 95 C ILE A 991 25.450 31.350 -52.481 1.00 88.95 C
|
| 96 |
+
ATOM 96 CB ILE A 991 25.706 29.457 -50.761 1.00 88.95 C
|
| 97 |
+
ATOM 97 O ILE A 991 26.142 31.426 -53.495 1.00 88.95 O
|
| 98 |
+
ATOM 98 CG1 ILE A 991 26.649 28.954 -49.641 1.00 88.95 C
|
| 99 |
+
ATOM 99 CG2 ILE A 991 25.771 28.493 -51.963 1.00 88.95 C
|
| 100 |
+
ATOM 100 CD1 ILE A 991 26.101 27.743 -48.874 1.00 88.95 C
|
| 101 |
+
ATOM 101 N PHE A 992 24.172 31.734 -52.449 1.00 91.34 N
|
| 102 |
+
ATOM 102 CA PHE A 992 23.449 32.264 -53.602 1.00 91.34 C
|
| 103 |
+
ATOM 103 C PHE A 992 24.145 33.500 -54.192 1.00 91.34 C
|
| 104 |
+
ATOM 104 CB PHE A 992 22.003 32.559 -53.184 1.00 91.34 C
|
| 105 |
+
ATOM 105 O PHE A 992 24.552 33.482 -55.352 1.00 91.34 O
|
| 106 |
+
ATOM 106 CG PHE A 992 21.155 33.052 -54.334 1.00 91.34 C
|
| 107 |
+
ATOM 107 CD1 PHE A 992 20.856 34.421 -54.468 1.00 91.34 C
|
| 108 |
+
ATOM 108 CD2 PHE A 992 20.687 32.135 -55.290 1.00 91.34 C
|
| 109 |
+
ATOM 109 CE1 PHE A 992 20.091 34.867 -55.559 1.00 91.34 C
|
| 110 |
+
ATOM 110 CE2 PHE A 992 19.924 32.585 -56.377 1.00 91.34 C
|
| 111 |
+
ATOM 111 CZ PHE A 992 19.622 33.949 -56.515 1.00 91.34 C
|
| 112 |
+
ATOM 112 N LEU A 993 24.413 34.530 -53.381 1.00 91.26 N
|
| 113 |
+
ATOM 113 CA LEU A 993 25.085 35.750 -53.850 1.00 91.26 C
|
| 114 |
+
ATOM 114 C LEU A 993 26.515 35.492 -54.374 1.00 91.26 C
|
| 115 |
+
ATOM 115 CB LEU A 993 25.071 36.811 -52.732 1.00 91.26 C
|
| 116 |
+
ATOM 116 O LEU A 993 26.952 36.161 -55.317 1.00 91.26 O
|
| 117 |
+
ATOM 117 CG LEU A 993 23.674 37.323 -52.319 1.00 91.26 C
|
| 118 |
+
ATOM 118 CD1 LEU A 993 23.833 38.372 -51.215 1.00 91.26 C
|
| 119 |
+
ATOM 119 CD2 LEU A 993 22.904 37.944 -53.483 1.00 91.26 C
|
| 120 |
+
ATOM 120 N ARG A 994 27.246 34.500 -53.834 1.00 91.17 N
|
| 121 |
+
ATOM 121 CA ARG A 994 28.535 34.063 -54.413 1.00 91.17 C
|
| 122 |
+
ATOM 122 C ARG A 994 28.351 33.398 -55.780 1.00 91.17 C
|
| 123 |
+
ATOM 123 CB ARG A 994 29.322 33.145 -53.465 1.00 91.17 C
|
| 124 |
+
ATOM 124 O ARG A 994 29.129 33.672 -56.687 1.00 91.17 O
|
| 125 |
+
ATOM 125 CG ARG A 994 30.015 33.917 -52.330 1.00 91.17 C
|
| 126 |
+
ATOM 126 CD ARG A 994 30.957 32.982 -51.561 1.00 91.17 C
|
| 127 |
+
ATOM 127 NE ARG A 994 31.387 33.542 -50.259 1.00 91.17 N
|
| 128 |
+
ATOM 128 NH1 ARG A 994 30.334 32.039 -48.871 1.00 91.17 N
|
| 129 |
+
ATOM 129 NH2 ARG A 994 31.673 33.601 -48.021 1.00 91.17 N
|
| 130 |
+
ATOM 130 CZ ARG A 994 31.127 33.056 -49.062 1.00 91.17 C
|
| 131 |
+
ATOM 131 N ASN A 995 27.319 32.579 -55.967 1.00 91.43 N
|
| 132 |
+
ATOM 132 CA ASN A 995 27.029 31.959 -57.264 1.00 91.43 C
|
| 133 |
+
ATOM 133 C ASN A 995 26.642 33.006 -58.326 1.00 91.43 C
|
| 134 |
+
ATOM 134 CB ASN A 995 25.941 30.885 -57.088 1.00 91.43 C
|
| 135 |
+
ATOM 135 O ASN A 995 27.156 32.949 -59.446 1.00 91.43 O
|
| 136 |
+
ATOM 136 CG ASN A 995 26.388 29.681 -56.275 1.00 91.43 C
|
| 137 |
+
ATOM 137 ND2 ASN A 995 25.453 28.866 -55.849 1.00 91.43 N
|
| 138 |
+
ATOM 138 OD1 ASN A 995 27.560 29.428 -56.043 1.00 91.43 O
|
| 139 |
+
ATOM 139 N VAL A 996 25.810 33.996 -57.973 1.00 91.54 N
|
| 140 |
+
ATOM 140 CA VAL A 996 25.437 35.105 -58.875 1.00 91.54 C
|
| 141 |
+
ATOM 141 C VAL A 996 26.666 35.945 -59.248 1.00 91.54 C
|
| 142 |
+
ATOM 142 CB VAL A 996 24.312 35.982 -58.278 1.00 91.54 C
|
| 143 |
+
ATOM 143 O VAL A 996 26.943 36.134 -60.432 1.00 91.54 O
|
| 144 |
+
ATOM 144 CG1 VAL A 996 23.902 37.106 -59.240 1.00 91.54 C
|
| 145 |
+
ATOM 145 CG2 VAL A 996 23.048 35.162 -57.990 1.00 91.54 C
|
| 146 |
+
ATOM 146 N THR A 997 27.473 36.376 -58.269 1.00 91.15 N
|
| 147 |
+
ATOM 147 CA THR A 997 28.715 37.131 -58.548 1.00 91.15 C
|
| 148 |
+
ATOM 148 C THR A 997 29.726 36.345 -59.377 1.00 91.15 C
|
| 149 |
+
ATOM 149 CB THR A 997 29.431 37.635 -57.288 1.00 91.15 C
|
| 150 |
+
ATOM 150 O THR A 997 30.315 36.917 -60.293 1.00 91.15 O
|
| 151 |
+
ATOM 151 CG2 THR A 997 28.711 38.809 -56.657 1.00 91.15 C
|
| 152 |
+
ATOM 152 OG1 THR A 997 29.506 36.653 -56.292 1.00 91.15 O
|
| 153 |
+
ATOM 153 N HIS A 998 29.902 35.042 -59.133 1.00 90.02 N
|
| 154 |
+
ATOM 154 CA HIS A 998 30.761 34.208 -59.975 1.00 90.02 C
|
| 155 |
+
ATOM 155 C HIS A 998 30.233 34.082 -61.409 1.00 90.02 C
|
| 156 |
+
ATOM 156 CB HIS A 998 30.993 32.831 -59.336 1.00 90.02 C
|
| 157 |
+
ATOM 157 O HIS A 998 31.033 34.173 -62.337 1.00 90.02 O
|
| 158 |
+
ATOM 158 CG HIS A 998 32.141 32.824 -58.357 1.00 90.02 C
|
| 159 |
+
ATOM 159 CD2 HIS A 998 32.091 32.530 -57.021 1.00 90.02 C
|
| 160 |
+
ATOM 160 ND1 HIS A 998 33.459 33.083 -58.662 1.00 90.02 N
|
| 161 |
+
ATOM 161 CE1 HIS A 998 34.181 32.956 -57.537 1.00 90.02 C
|
| 162 |
+
ATOM 162 NE2 HIS A 998 33.393 32.609 -56.509 1.00 90.02 N
|
| 163 |
+
ATOM 163 N ARG A 999 28.917 33.940 -61.628 1.00 89.65 N
|
| 164 |
+
ATOM 164 CA ARG A 999 28.333 33.927 -62.986 1.00 89.65 C
|
| 165 |
+
ATOM 165 C ARG A 999 28.569 35.245 -63.720 1.00 89.65 C
|
| 166 |
+
ATOM 166 CB ARG A 999 26.836 33.581 -62.923 1.00 89.65 C
|
| 167 |
+
ATOM 167 O ARG A 999 29.003 35.214 -64.869 1.00 89.65 O
|
| 168 |
+
ATOM 168 CG ARG A 999 26.650 32.073 -62.715 1.00 89.65 C
|
| 169 |
+
ATOM 169 CD ARG A 999 25.215 31.702 -62.341 1.00 89.65 C
|
| 170 |
+
ATOM 170 NE ARG A 999 24.228 31.868 -63.433 1.00 89.65 N
|
| 171 |
+
ATOM 171 NH1 ARG A 999 22.775 30.340 -62.564 1.00 89.65 N
|
| 172 |
+
ATOM 172 NH2 ARG A 999 22.095 31.526 -64.275 1.00 89.65 N
|
| 173 |
+
ATOM 173 CZ ARG A 999 23.053 31.250 -63.441 1.00 89.65 C
|
| 174 |
+
ATOM 174 N LEU A1000 28.375 36.381 -63.046 1.00 91.10 N
|
| 175 |
+
ATOM 175 CA LEU A1000 28.673 37.704 -63.606 1.00 91.10 C
|
| 176 |
+
ATOM 176 C LEU A1000 30.173 37.866 -63.923 1.00 91.10 C
|
| 177 |
+
ATOM 177 CB LEU A1000 28.170 38.800 -62.644 1.00 91.10 C
|
| 178 |
+
ATOM 178 O LEU A1000 30.516 38.352 -64.995 1.00 91.10 O
|
| 179 |
+
ATOM 179 CG LEU A1000 26.638 38.860 -62.467 1.00 91.10 C
|
| 180 |
+
ATOM 180 CD1 LEU A1000 26.293 39.831 -61.338 1.00 91.10 C
|
| 181 |
+
ATOM 181 CD2 LEU A1000 25.916 39.319 -63.735 1.00 91.10 C
|
| 182 |
+
ATOM 182 N ALA A1001 31.074 37.407 -63.048 1.00 89.50 N
|
| 183 |
+
ATOM 183 CA ALA A1001 32.526 37.512 -63.246 1.00 89.50 C
|
| 184 |
+
ATOM 184 C ALA A1001 33.101 36.540 -64.304 1.00 89.50 C
|
| 185 |
+
ATOM 185 CB ALA A1001 33.198 37.310 -61.883 1.00 89.50 C
|
| 186 |
+
ATOM 186 O ALA A1001 34.171 36.797 -64.860 1.00 89.50 O
|
| 187 |
+
ATOM 187 N ILE A1002 32.419 35.424 -64.587 1.00 89.33 N
|
| 188 |
+
ATOM 188 CA ILE A1002 32.798 34.463 -65.641 1.00 89.33 C
|
| 189 |
+
ATOM 189 C ILE A1002 32.421 34.983 -67.039 1.00 89.33 C
|
| 190 |
+
ATOM 190 CB ILE A1002 32.177 33.076 -65.323 1.00 89.33 C
|
| 191 |
+
ATOM 191 O ILE A1002 33.082 34.641 -68.025 1.00 89.33 O
|
| 192 |
+
ATOM 192 CG1 ILE A1002 32.950 32.420 -64.153 1.00 89.33 C
|
| 193 |
+
ATOM 193 CG2 ILE A1002 32.176 32.116 -66.531 1.00 89.33 C
|
| 194 |
+
ATOM 194 CD1 ILE A1002 32.215 31.239 -63.502 1.00 89.33 C
|
| 195 |
+
ATOM 195 N ASP A1003 31.380 35.812 -67.151 1.00 89.33 N
|
| 196 |
+
ATOM 196 CA ASP A1003 30.921 36.321 -68.439 1.00 89.33 C
|
| 197 |
+
ATOM 197 C ASP A1003 31.934 37.299 -69.065 1.00 89.33 C
|
| 198 |
+
ATOM 198 CB ASP A1003 29.520 36.932 -68.313 1.00 89.33 C
|
| 199 |
+
ATOM 199 O ASP A1003 32.273 38.357 -68.525 1.00 89.33 O
|
| 200 |
+
ATOM 200 CG ASP A1003 28.854 37.154 -69.675 1.00 89.33 C
|
| 201 |
+
ATOM 201 OD1 ASP A1003 29.561 37.388 -70.684 1.00 89.33 O
|
| 202 |
+
ATOM 202 OD2 ASP A1003 27.610 37.113 -69.748 1.00 89.33 O
|
| 203 |
+
ATOM 203 N LYS A1004 32.374 36.974 -70.286 1.00 86.18 N
|
| 204 |
+
ATOM 204 CA LYS A1004 33.286 37.798 -71.093 1.00 86.18 C
|
| 205 |
+
ATOM 205 C LYS A1004 32.758 39.224 -71.316 1.00 86.18 C
|
| 206 |
+
ATOM 206 CB LYS A1004 33.544 37.111 -72.444 1.00 86.18 C
|
| 207 |
+
ATOM 207 O LYS A1004 33.571 40.125 -71.526 1.00 86.18 O
|
| 208 |
+
ATOM 208 CG LYS A1004 34.259 35.756 -72.307 1.00 86.18 C
|
| 209 |
+
ATOM 209 CD LYS A1004 34.453 35.107 -73.684 1.00 86.18 C
|
| 210 |
+
ATOM 210 CE LYS A1004 35.115 33.731 -73.536 1.00 86.18 C
|
| 211 |
+
ATOM 211 NZ LYS A1004 35.210 33.023 -74.840 1.00 86.18 N
|
| 212 |
+
ATOM 212 N ARG A1005 31.436 39.442 -71.257 1.00 85.24 N
|
| 213 |
+
ATOM 213 CA ARG A1005 30.788 40.764 -71.349 1.00 85.24 C
|
| 214 |
+
ATOM 214 C ARG A1005 31.146 41.683 -70.177 1.00 85.24 C
|
| 215 |
+
ATOM 215 CB ARG A1005 29.257 40.584 -71.418 1.00 85.24 C
|
| 216 |
+
ATOM 216 O ARG A1005 31.269 42.889 -70.383 1.00 85.24 O
|
| 217 |
+
ATOM 217 CG ARG A1005 28.789 39.870 -72.700 1.00 85.24 C
|
| 218 |
+
ATOM 218 CD ARG A1005 27.260 39.742 -72.786 1.00 85.24 C
|
| 219 |
+
ATOM 219 NE ARG A1005 26.711 38.799 -71.794 1.00 85.24 N
|
| 220 |
+
ATOM 220 NH1 ARG A1005 24.460 39.111 -72.186 1.00 85.24 N
|
| 221 |
+
ATOM 221 NH2 ARG A1005 25.138 37.698 -70.605 1.00 85.24 N
|
| 222 |
+
ATOM 222 CZ ARG A1005 25.441 38.545 -71.538 1.00 85.24 C
|
| 223 |
+
ATOM 223 N PHE A1006 31.347 41.130 -68.980 1.00 89.10 N
|
| 224 |
+
ATOM 224 CA PHE A1006 31.445 41.881 -67.719 1.00 89.10 C
|
| 225 |
+
ATOM 225 C PHE A1006 32.852 41.902 -67.107 1.00 89.10 C
|
| 226 |
+
ATOM 226 CB PHE A1006 30.400 41.333 -66.742 1.00 89.10 C
|
| 227 |
+
ATOM 227 O PHE A1006 33.070 42.534 -66.073 1.00 89.10 O
|
| 228 |
+
ATOM 228 CG PHE A1006 28.985 41.268 -67.294 1.00 89.10 C
|
| 229 |
+
ATOM 229 CD1 PHE A1006 28.471 42.302 -68.103 1.00 89.10 C
|
| 230 |
+
ATOM 230 CD2 PHE A1006 28.185 40.143 -67.022 1.00 89.10 C
|
| 231 |
+
ATOM 231 CE1 PHE A1006 27.191 42.187 -68.669 1.00 89.10 C
|
| 232 |
+
ATOM 232 CE2 PHE A1006 26.901 40.033 -67.581 1.00 89.10 C
|
| 233 |
+
ATOM 233 CZ PHE A1006 26.407 41.051 -68.412 1.00 89.10 C
|
| 234 |
+
ATOM 234 N ARG A1007 33.837 41.304 -67.792 1.00 85.74 N
|
| 235 |
+
ATOM 235 CA ARG A1007 35.257 41.274 -67.393 1.00 85.74 C
|
| 236 |
+
ATOM 236 C ARG A1007 35.839 42.649 -67.016 1.00 85.74 C
|
| 237 |
+
ATOM 237 CB ARG A1007 36.058 40.608 -68.525 1.00 85.74 C
|
| 238 |
+
ATOM 238 O ARG A1007 36.734 42.711 -66.181 1.00 85.74 O
|
| 239 |
+
ATOM 239 CG ARG A1007 37.486 40.249 -68.090 1.00 85.74 C
|
| 240 |
+
ATOM 240 CD ARG A1007 38.241 39.537 -69.218 1.00 85.74 C
|
| 241 |
+
ATOM 241 NE ARG A1007 39.584 39.119 -68.769 1.00 85.74 N
|
| 242 |
+
ATOM 242 NH1 ARG A1007 40.523 38.729 -70.829 1.00 85.74 N
|
| 243 |
+
ATOM 243 NH2 ARG A1007 41.737 38.413 -68.987 1.00 85.74 N
|
| 244 |
+
ATOM 244 CZ ARG A1007 40.603 38.756 -69.528 1.00 85.74 C
|
| 245 |
+
ATOM 245 N VAL A1008 35.315 43.732 -67.602 1.00 83.84 N
|
| 246 |
+
ATOM 246 CA VAL A1008 35.685 45.130 -67.296 1.00 83.84 C
|
| 247 |
+
ATOM 247 C VAL A1008 35.431 45.482 -65.824 1.00 83.84 C
|
| 248 |
+
ATOM 248 CB VAL A1008 34.915 46.114 -68.209 1.00 83.84 C
|
| 249 |
+
ATOM 249 O VAL A1008 36.274 46.105 -65.199 1.00 83.84 O
|
| 250 |
+
ATOM 250 CG1 VAL A1008 35.337 47.572 -67.993 1.00 83.84 C
|
| 251 |
+
ATOM 251 CG2 VAL A1008 35.131 45.797 -69.699 1.00 83.84 C
|
| 252 |
+
ATOM 252 N PHE A1009 34.320 45.020 -65.245 1.00 88.20 N
|
| 253 |
+
ATOM 253 CA PHE A1009 33.891 45.343 -63.874 1.00 88.20 C
|
| 254 |
+
ATOM 254 C PHE A1009 34.343 44.300 -62.838 1.00 88.20 C
|
| 255 |
+
ATOM 255 CB PHE A1009 32.365 45.517 -63.864 1.00 88.20 C
|
| 256 |
+
ATOM 256 O PHE A1009 33.837 44.255 -61.717 1.00 88.20 O
|
| 257 |
+
ATOM 257 CG PHE A1009 31.832 46.406 -64.973 1.00 88.20 C
|
| 258 |
+
ATOM 258 CD1 PHE A1009 32.011 47.800 -64.912 1.00 88.20 C
|
| 259 |
+
ATOM 259 CD2 PHE A1009 31.185 45.835 -66.086 1.00 88.20 C
|
| 260 |
+
ATOM 260 CE1 PHE A1009 31.543 48.617 -65.956 1.00 88.20 C
|
| 261 |
+
ATOM 261 CE2 PHE A1009 30.692 46.654 -67.113 1.00 88.20 C
|
| 262 |
+
ATOM 262 CZ PHE A1009 30.880 48.045 -67.056 1.00 88.20 C
|
| 263 |
+
ATOM 263 N THR A1010 35.240 43.385 -63.225 1.00 86.73 N
|
| 264 |
+
ATOM 264 CA THR A1010 35.664 42.267 -62.366 1.00 86.73 C
|
| 265 |
+
ATOM 265 C THR A1010 36.809 42.652 -61.427 1.00 86.73 C
|
| 266 |
+
ATOM 266 CB THR A1010 36.025 41.044 -63.215 1.00 86.73 C
|
| 267 |
+
ATOM 267 O THR A1010 36.808 42.237 -60.267 1.00 86.73 O
|
| 268 |
+
ATOM 268 CG2 THR A1010 36.342 39.803 -62.381 1.00 86.73 C
|
| 269 |
+
ATOM 269 OG1 THR A1010 34.931 40.699 -64.032 1.00 86.73 O
|
| 270 |
+
ATOM 270 N LYS A1011 37.769 43.449 -61.911 1.00 83.51 N
|
| 271 |
+
ATOM 271 CA LYS A1011 38.858 44.044 -61.116 1.00 83.51 C
|
| 272 |
+
ATOM 272 C LYS A1011 38.438 45.445 -60.639 1.00 83.51 C
|
| 273 |
+
ATOM 273 CB LYS A1011 40.139 44.174 -61.968 1.00 83.51 C
|
| 274 |
+
ATOM 274 O LYS A1011 37.606 46.050 -61.312 1.00 83.51 O
|
| 275 |
+
ATOM 275 CG LYS A1011 40.728 42.847 -62.475 1.00 83.51 C
|
| 276 |
+
ATOM 276 CD LYS A1011 41.917 43.095 -63.428 1.00 83.51 C
|
| 277 |
+
ATOM 277 CE LYS A1011 43.282 43.154 -62.728 1.00 83.51 C
|
| 278 |
+
ATOM 278 NZ LYS A1011 44.125 44.301 -63.194 1.00 83.51 N
|
| 279 |
+
ATOM 279 N PRO A1012 39.028 45.975 -59.552 1.00 83.72 N
|
| 280 |
+
ATOM 280 CA PRO A1012 39.027 47.415 -59.317 1.00 83.72 C
|
| 281 |
+
ATOM 281 C PRO A1012 39.728 48.158 -60.459 1.00 83.72 C
|
| 282 |
+
ATOM 282 CB PRO A1012 39.731 47.617 -57.974 1.00 83.72 C
|
| 283 |
+
ATOM 283 O PRO A1012 40.593 47.592 -61.132 1.00 83.72 O
|
| 284 |
+
ATOM 284 CG PRO A1012 40.711 46.445 -57.931 1.00 83.72 C
|
| 285 |
+
ATOM 285 CD PRO A1012 39.930 45.320 -58.613 1.00 83.72 C
|
| 286 |
+
ATOM 286 N VAL A1013 39.359 49.424 -60.663 1.00 81.00 N
|
| 287 |
+
ATOM 287 CA VAL A1013 40.049 50.322 -61.601 1.00 81.00 C
|
| 288 |
+
ATOM 288 C VAL A1013 41.431 50.659 -61.038 1.00 81.00 C
|
| 289 |
+
ATOM 289 CB VAL A1013 39.223 51.594 -61.880 1.00 81.00 C
|
| 290 |
+
ATOM 290 O VAL A1013 41.539 51.223 -59.948 1.00 81.00 O
|
| 291 |
+
ATOM 291 CG1 VAL A1013 39.929 52.526 -62.874 1.00 81.00 C
|
| 292 |
+
ATOM 292 CG2 VAL A1013 37.852 51.233 -62.471 1.00 81.00 C
|
| 293 |
+
ATOM 293 N ASP A1014 42.482 50.293 -61.772 1.00 79.73 N
|
| 294 |
+
ATOM 294 CA ASP A1014 43.870 50.524 -61.375 1.00 79.73 C
|
| 295 |
+
ATOM 295 C ASP A1014 44.198 52.040 -61.533 1.00 79.73 C
|
| 296 |
+
ATOM 296 CB ASP A1014 44.795 49.564 -62.174 1.00 79.73 C
|
| 297 |
+
ATOM 297 O ASP A1014 44.083 52.582 -62.637 1.00 79.73 O
|
| 298 |
+
ATOM 298 CG ASP A1014 44.722 48.080 -61.713 1.00 79.73 C
|
| 299 |
+
ATOM 299 OD1 ASP A1014 44.862 47.846 -60.491 1.00 79.73 O
|
| 300 |
+
ATOM 300 OD2 ASP A1014 44.560 47.134 -62.540 1.00 79.73 O
|
| 301 |
+
ATOM 301 N PRO A1015 44.580 52.770 -60.459 1.00 76.94 N
|
| 302 |
+
ATOM 302 CA PRO A1015 44.692 54.239 -60.478 1.00 76.94 C
|
| 303 |
+
ATOM 303 C PRO A1015 45.860 54.760 -61.328 1.00 76.94 C
|
| 304 |
+
ATOM 304 CB PRO A1015 44.845 54.651 -59.009 1.00 76.94 C
|
| 305 |
+
ATOM 305 O PRO A1015 45.868 55.930 -61.701 1.00 76.94 O
|
| 306 |
+
ATOM 306 CG PRO A1015 45.520 53.435 -58.377 1.00 76.94 C
|
| 307 |
+
ATOM 307 CD PRO A1015 44.873 52.269 -59.125 1.00 76.94 C
|
| 308 |
+
ATOM 308 N ASP A1016 46.820 53.891 -61.654 1.00 78.94 N
|
| 309 |
+
ATOM 309 CA ASP A1016 47.925 54.183 -62.569 1.00 78.94 C
|
| 310 |
+
ATOM 310 C ASP A1016 47.476 54.186 -64.046 1.00 78.94 C
|
| 311 |
+
ATOM 311 CB ASP A1016 49.047 53.149 -62.360 1.00 78.94 C
|
| 312 |
+
ATOM 312 O ASP A1016 48.099 54.852 -64.872 1.00 78.94 O
|
| 313 |
+
ATOM 313 CG ASP A1016 49.648 53.134 -60.946 1.00 78.94 C
|
| 314 |
+
ATOM 314 OD1 ASP A1016 49.846 54.224 -60.363 1.00 78.94 O
|
| 315 |
+
ATOM 315 OD2 ASP A1016 49.931 52.017 -60.455 1.00 78.94 O
|
| 316 |
+
ATOM 316 N GLU A1017 46.394 53.468 -64.393 1.00 76.98 N
|
| 317 |
+
ATOM 317 CA GLU A1017 45.804 53.493 -65.743 1.00 76.98 C
|
| 318 |
+
ATOM 318 C GLU A1017 44.825 54.665 -65.917 1.00 76.98 C
|
| 319 |
+
ATOM 319 CB GLU A1017 45.091 52.162 -66.083 1.00 76.98 C
|
| 320 |
+
ATOM 320 O GLU A1017 44.762 55.253 -66.997 1.00 76.98 O
|
| 321 |
+
ATOM 321 CG GLU A1017 46.034 50.948 -66.205 1.00 76.98 C
|
| 322 |
+
ATOM 322 CD GLU A1017 45.379 49.692 -66.829 1.00 76.98 C
|
| 323 |
+
ATOM 323 OE1 GLU A1017 46.140 48.769 -67.211 1.00 76.98 O
|
| 324 |
+
ATOM 324 OE2 GLU A1017 44.132 49.630 -66.945 1.00 76.98 O
|
| 325 |
+
ATOM 325 N VAL A1018 44.065 55.018 -64.868 1.00 78.23 N
|
| 326 |
+
ATOM 326 CA VAL A1018 43.021 56.061 -64.928 1.00 78.23 C
|
| 327 |
+
ATOM 327 C VAL A1018 43.050 56.983 -63.690 1.00 78.23 C
|
| 328 |
+
ATOM 328 CB VAL A1018 41.620 55.439 -65.155 1.00 78.23 C
|
| 329 |
+
ATOM 329 O VAL A1018 42.205 56.851 -62.798 1.00 78.23 O
|
| 330 |
+
ATOM 330 CG1 VAL A1018 40.635 56.529 -65.591 1.00 78.23 C
|
| 331 |
+
ATOM 331 CG2 VAL A1018 41.581 54.363 -66.251 1.00 78.23 C
|
| 332 |
+
ATOM 332 N PRO A1019 43.976 57.963 -63.621 1.00 75.73 N
|
| 333 |
+
ATOM 333 CA PRO A1019 44.118 58.851 -62.459 1.00 75.73 C
|
| 334 |
+
ATOM 334 C PRO A1019 42.857 59.668 -62.133 1.00 75.73 C
|
| 335 |
+
ATOM 335 CB PRO A1019 45.303 59.767 -62.791 1.00 75.73 C
|
| 336 |
+
ATOM 336 O PRO A1019 42.527 59.878 -60.965 1.00 75.73 O
|
| 337 |
+
ATOM 337 CG PRO A1019 46.139 58.931 -63.759 1.00 75.73 C
|
| 338 |
+
ATOM 338 CD PRO A1019 45.075 58.180 -64.554 1.00 75.73 C
|
| 339 |
+
ATOM 339 N ASP A1020 42.112 60.084 -63.162 1.00 82.98 N
|
| 340 |
+
ATOM 340 CA ASP A1020 40.900 60.900 -63.018 1.00 82.98 C
|
| 341 |
+
ATOM 341 C ASP A1020 39.672 60.106 -62.528 1.00 82.98 C
|
| 342 |
+
ATOM 342 CB ASP A1020 40.604 61.614 -64.347 1.00 82.98 C
|
| 343 |
+
ATOM 343 O ASP A1020 38.642 60.692 -62.198 1.00 82.98 O
|
| 344 |
+
ATOM 344 CG ASP A1020 41.697 62.617 -64.735 1.00 82.98 C
|
| 345 |
+
ATOM 345 OD1 ASP A1020 42.143 63.369 -63.837 1.00 82.98 O
|
| 346 |
+
ATOM 346 OD2 ASP A1020 42.072 62.622 -65.927 1.00 82.98 O
|
| 347 |
+
ATOM 347 N TYR A1021 39.742 58.773 -62.437 1.00 82.91 N
|
| 348 |
+
ATOM 348 CA TYR A1021 38.602 57.975 -61.971 1.00 82.91 C
|
| 349 |
+
ATOM 349 C TYR A1021 38.230 58.296 -60.516 1.00 82.91 C
|
| 350 |
+
ATOM 350 CB TYR A1021 38.904 56.484 -62.154 1.00 82.91 C
|
| 351 |
+
ATOM 351 O TYR A1021 37.054 58.444 -60.186 1.00 82.91 O
|
| 352 |
+
ATOM 352 CG TYR A1021 37.720 55.590 -61.845 1.00 82.91 C
|
| 353 |
+
ATOM 353 CD1 TYR A1021 37.736 54.751 -60.715 1.00 82.91 C
|
| 354 |
+
ATOM 354 CD2 TYR A1021 36.601 55.599 -62.701 1.00 82.91 C
|
| 355 |
+
ATOM 355 CE1 TYR A1021 36.639 53.908 -60.447 1.00 82.91 C
|
| 356 |
+
ATOM 356 CE2 TYR A1021 35.495 54.773 -62.426 1.00 82.91 C
|
| 357 |
+
ATOM 357 OH TYR A1021 34.469 53.086 -61.063 1.00 82.91 O
|
| 358 |
+
ATOM 358 CZ TYR A1021 35.515 53.922 -61.302 1.00 82.91 C
|
| 359 |
+
ATOM 359 N VAL A1022 39.236 58.477 -59.655 1.00 79.47 N
|
| 360 |
+
ATOM 360 CA VAL A1022 39.058 58.738 -58.214 1.00 79.47 C
|
| 361 |
+
ATOM 361 C VAL A1022 38.664 60.197 -57.929 1.00 79.47 C
|
| 362 |
+
ATOM 362 CB VAL A1022 40.330 58.320 -57.437 1.00 79.47 C
|
| 363 |
+
ATOM 363 O VAL A1022 38.130 60.492 -56.862 1.00 79.47 O
|
| 364 |
+
ATOM 364 CG1 VAL A1022 40.160 58.401 -55.912 1.00 79.47 C
|
| 365 |
+
ATOM 365 CG2 VAL A1022 40.730 56.868 -57.754 1.00 79.47 C
|
| 366 |
+
ATOM 366 N THR A1023 38.888 61.121 -58.871 1.00 81.07 N
|
| 367 |
+
ATOM 367 CA THR A1023 38.459 62.526 -58.734 1.00 81.07 C
|
| 368 |
+
ATOM 368 C THR A1023 36.997 62.728 -59.145 1.00 81.07 C
|
| 369 |
+
ATOM 369 CB THR A1023 39.376 63.487 -59.509 1.00 81.07 C
|
| 370 |
+
ATOM 370 O THR A1023 36.329 63.604 -58.594 1.00 81.07 O
|
| 371 |
+
ATOM 371 CG2 THR A1023 40.845 63.352 -59.108 1.00 81.07 C
|
| 372 |
+
ATOM 372 OG1 THR A1023 39.299 63.244 -60.887 1.00 81.07 O
|
| 373 |
+
ATOM 373 N VAL A1024 36.484 61.893 -60.057 1.00 82.01 N
|
| 374 |
+
ATOM 374 CA VAL A1024 35.080 61.894 -60.499 1.00 82.01 C
|
| 375 |
+
ATOM 375 C VAL A1024 34.203 61.005 -59.604 1.00 82.01 C
|
| 376 |
+
ATOM 376 CB VAL A1024 34.991 61.487 -61.987 1.00 82.01 C
|
| 377 |
+
ATOM 377 O VAL A1024 33.193 61.472 -59.073 1.00 82.01 O
|
| 378 |
+
ATOM 378 CG1 VAL A1024 33.547 61.451 -62.503 1.00 82.01 C
|
| 379 |
+
ATOM 379 CG2 VAL A1024 35.759 62.467 -62.887 1.00 82.01 C
|
| 380 |
+
ATOM 380 N ILE A1025 34.578 59.737 -59.395 1.00 84.89 N
|
| 381 |
+
ATOM 381 CA ILE A1025 33.723 58.730 -58.747 1.00 84.89 C
|
| 382 |
+
ATOM 382 C ILE A1025 33.959 58.660 -57.233 1.00 84.89 C
|
| 383 |
+
ATOM 383 CB ILE A1025 33.871 57.358 -59.446 1.00 84.89 C
|
| 384 |
+
ATOM 384 O ILE A1025 34.972 58.163 -56.745 1.00 84.89 O
|
| 385 |
+
ATOM 385 CG1 ILE A1025 33.448 57.411 -60.934 1.00 84.89 C
|
| 386 |
+
ATOM 386 CG2 ILE A1025 33.077 56.261 -58.711 1.00 84.89 C
|
| 387 |
+
ATOM 387 CD1 ILE A1025 32.017 57.902 -61.202 1.00 84.89 C
|
| 388 |
+
ATOM 388 N LYS A1026 32.952 59.096 -56.467 1.00 81.18 N
|
| 389 |
+
ATOM 389 CA LYS A1026 32.991 59.177 -54.991 1.00 81.18 C
|
| 390 |
+
ATOM 390 C LYS A1026 32.957 57.824 -54.272 1.00 81.18 C
|
| 391 |
+
ATOM 391 CB LYS A1026 31.811 60.029 -54.502 1.00 81.18 C
|
| 392 |
+
ATOM 392 O LYS A1026 33.342 57.755 -53.106 1.00 81.18 O
|
| 393 |
+
ATOM 393 CG LYS A1026 31.920 61.494 -54.945 1.00 81.18 C
|
| 394 |
+
ATOM 394 CD LYS A1026 30.596 62.223 -54.700 1.00 81.18 C
|
| 395 |
+
ATOM 395 CE LYS A1026 30.701 63.638 -55.276 1.00 81.18 C
|
| 396 |
+
ATOM 396 NZ LYS A1026 29.365 64.173 -55.633 1.00 81.18 N
|
| 397 |
+
ATOM 397 N GLN A1027 32.425 56.779 -54.907 1.00 83.94 N
|
| 398 |
+
ATOM 398 CA GLN A1027 32.250 55.449 -54.310 1.00 83.94 C
|
| 399 |
+
ATOM 399 C GLN A1027 32.564 54.345 -55.337 1.00 83.94 C
|
| 400 |
+
ATOM 400 CB GLN A1027 30.828 55.289 -53.729 1.00 83.94 C
|
| 401 |
+
ATOM 401 O GLN A1027 31.637 53.789 -55.928 1.00 83.94 O
|
| 402 |
+
ATOM 402 CG GLN A1027 30.555 56.209 -52.530 1.00 83.94 C
|
| 403 |
+
ATOM 403 CD GLN A1027 29.261 55.884 -51.784 1.00 83.94 C
|
| 404 |
+
ATOM 404 NE2 GLN A1027 28.914 56.662 -50.784 1.00 83.94 N
|
| 405 |
+
ATOM 405 OE1 GLN A1027 28.546 54.933 -52.041 1.00 83.94 O
|
| 406 |
+
ATOM 406 N PRO A1028 33.849 54.019 -55.577 1.00 87.02 N
|
| 407 |
+
ATOM 407 CA PRO A1028 34.222 52.934 -56.483 1.00 87.02 C
|
| 408 |
+
ATOM 408 C PRO A1028 33.627 51.595 -56.019 1.00 87.02 C
|
| 409 |
+
ATOM 409 CB PRO A1028 35.754 52.920 -56.508 1.00 87.02 C
|
| 410 |
+
ATOM 410 O PRO A1028 33.608 51.292 -54.823 1.00 87.02 O
|
| 411 |
+
ATOM 411 CG PRO A1028 36.139 53.542 -55.167 1.00 87.02 C
|
| 412 |
+
ATOM 412 CD PRO A1028 35.039 54.580 -54.951 1.00 87.02 C
|
| 413 |
+
ATOM 413 N MET A1029 33.124 50.810 -56.973 1.00 87.98 N
|
| 414 |
+
ATOM 414 CA MET A1029 32.480 49.516 -56.751 1.00 87.98 C
|
| 415 |
+
ATOM 415 C MET A1029 32.722 48.611 -57.960 1.00 87.98 C
|
| 416 |
+
ATOM 416 CB MET A1029 30.967 49.703 -56.522 1.00 87.98 C
|
| 417 |
+
ATOM 417 O MET A1029 32.645 49.068 -59.098 1.00 87.98 O
|
| 418 |
+
ATOM 418 CG MET A1029 30.304 48.503 -55.821 1.00 87.98 C
|
| 419 |
+
ATOM 419 SD MET A1029 31.001 48.007 -54.207 1.00 87.98 S
|
| 420 |
+
ATOM 420 CE MET A1029 31.013 49.613 -53.360 1.00 87.98 C
|
| 421 |
+
ATOM 421 N ASP A1030 32.978 47.331 -57.698 1.00 90.38 N
|
| 422 |
+
ATOM 422 CA ASP A1030 33.375 46.318 -58.683 1.00 90.38 C
|
| 423 |
+
ATOM 423 C ASP A1030 33.053 44.917 -58.133 1.00 90.38 C
|
| 424 |
+
ATOM 424 CB ASP A1030 34.877 46.429 -59.047 1.00 90.38 C
|
| 425 |
+
ATOM 425 O ASP A1030 32.897 44.736 -56.922 1.00 90.38 O
|
| 426 |
+
ATOM 426 CG ASP A1030 35.637 47.511 -58.272 1.00 90.38 C
|
| 427 |
+
ATOM 427 OD1 ASP A1030 35.857 48.606 -58.834 1.00 90.38 O
|
| 428 |
+
ATOM 428 OD2 ASP A1030 35.969 47.228 -57.095 1.00 90.38 O
|
| 429 |
+
ATOM 429 N LEU A1031 32.974 43.893 -58.990 1.00 90.89 N
|
| 430 |
+
ATOM 430 CA LEU A1031 32.542 42.549 -58.570 1.00 90.89 C
|
| 431 |
+
ATOM 431 C LEU A1031 33.478 41.914 -57.520 1.00 90.89 C
|
| 432 |
+
ATOM 432 CB LEU A1031 32.370 41.630 -59.795 1.00 90.89 C
|
| 433 |
+
ATOM 433 O LEU A1031 32.996 41.222 -56.625 1.00 90.89 O
|
| 434 |
+
ATOM 434 CG LEU A1031 31.292 42.067 -60.809 1.00 90.89 C
|
| 435 |
+
ATOM 435 CD1 LEU A1031 31.338 41.141 -62.026 1.00 90.89 C
|
| 436 |
+
ATOM 436 CD2 LEU A1031 29.881 42.004 -60.218 1.00 90.89 C
|
| 437 |
+
ATOM 437 N SER A1032 34.788 42.193 -57.554 1.00 87.76 N
|
| 438 |
+
ATOM 438 CA SER A1032 35.723 41.772 -56.489 1.00 87.76 C
|
| 439 |
+
ATOM 439 C SER A1032 35.424 42.442 -55.138 1.00 87.76 C
|
| 440 |
+
ATOM 440 CB SER A1032 37.171 42.084 -56.883 1.00 87.76 C
|
| 441 |
+
ATOM 441 O SER A1032 35.509 41.803 -54.082 1.00 87.76 O
|
| 442 |
+
ATOM 442 OG SER A1032 37.592 41.242 -57.939 1.00 87.76 O
|
| 443 |
+
ATOM 443 N SER A1033 35.020 43.713 -55.161 1.00 88.69 N
|
| 444 |
+
ATOM 444 CA SER A1033 34.607 44.471 -53.974 1.00 88.69 C
|
| 445 |
+
ATOM 445 C SER A1033 33.264 43.970 -53.428 1.00 88.69 C
|
| 446 |
+
ATOM 446 CB SER A1033 34.570 45.969 -54.312 1.00 88.69 C
|
| 447 |
+
ATOM 447 O SER A1033 33.103 43.842 -52.212 1.00 88.69 O
|
| 448 |
+
ATOM 448 OG SER A1033 35.884 46.390 -54.625 1.00 88.69 O
|
| 449 |
+
ATOM 449 N VAL A1034 32.334 43.582 -54.307 1.00 91.39 N
|
| 450 |
+
ATOM 450 CA VAL A1034 31.064 42.923 -53.947 1.00 91.39 C
|
| 451 |
+
ATOM 451 C VAL A1034 31.310 41.546 -53.315 1.00 91.39 C
|
| 452 |
+
ATOM 452 CB VAL A1034 30.131 42.839 -55.173 1.00 91.39 C
|
| 453 |
+
ATOM 453 O VAL A1034 30.797 41.286 -52.229 1.00 91.39 O
|
| 454 |
+
ATOM 454 CG1 VAL A1034 28.846 42.053 -54.902 1.00 91.39 C
|
| 455 |
+
ATOM 455 CG2 VAL A1034 29.701 44.240 -55.628 1.00 91.39 C
|
| 456 |
+
ATOM 456 N ILE A1035 32.155 40.687 -53.901 1.00 90.38 N
|
| 457 |
+
ATOM 457 CA ILE A1035 32.533 39.387 -53.301 1.00 90.38 C
|
| 458 |
+
ATOM 458 C ILE A1035 33.114 39.592 -51.892 1.00 90.38 C
|
| 459 |
+
ATOM 459 CB ILE A1035 33.498 38.619 -54.241 1.00 90.38 C
|
| 460 |
+
ATOM 460 O ILE A1035 32.673 38.956 -50.932 1.00 90.38 O
|
| 461 |
+
ATOM 461 CG1 ILE A1035 32.733 38.136 -55.497 1.00 90.38 C
|
| 462 |
+
ATOM 462 CG2 ILE A1035 34.145 37.410 -53.536 1.00 90.38 C
|
| 463 |
+
ATOM 463 CD1 ILE A1035 33.642 37.726 -56.664 1.00 90.38 C
|
| 464 |
+
ATOM 464 N SER A1036 34.006 40.574 -51.735 1.00 87.68 N
|
| 465 |
+
ATOM 465 CA SER A1036 34.578 40.949 -50.434 1.00 87.68 C
|
| 466 |
+
ATOM 466 C SER A1036 33.520 41.426 -49.423 1.00 87.68 C
|
| 467 |
+
ATOM 467 CB SER A1036 35.637 42.041 -50.625 1.00 87.68 C
|
| 468 |
+
ATOM 468 O SER A1036 33.656 41.190 -48.222 1.00 87.68 O
|
| 469 |
+
ATOM 469 OG SER A1036 36.653 41.620 -51.515 1.00 87.68 O
|
| 470 |
+
ATOM 470 N LYS A1037 32.430 42.068 -49.870 1.00 88.85 N
|
| 471 |
+
ATOM 471 CA LYS A1037 31.289 42.442 -49.013 1.00 88.85 C
|
| 472 |
+
ATOM 472 C LYS A1037 30.426 41.237 -48.603 1.00 88.85 C
|
| 473 |
+
ATOM 473 CB LYS A1037 30.436 43.515 -49.707 1.00 88.85 C
|
| 474 |
+
ATOM 474 O LYS A1037 29.933 41.238 -47.470 1.00 88.85 O
|
| 475 |
+
ATOM 475 CG LYS A1037 31.044 44.928 -49.704 1.00 88.85 C
|
| 476 |
+
ATOM 476 CD LYS A1037 30.130 45.858 -50.510 1.00 88.85 C
|
| 477 |
+
ATOM 477 CE LYS A1037 30.454 47.344 -50.346 1.00 88.85 C
|
| 478 |
+
ATOM 478 NZ LYS A1037 29.491 48.154 -51.124 1.00 88.85 N
|
| 479 |
+
ATOM 479 N ILE A1038 30.288 40.207 -49.449 1.00 89.63 N
|
| 480 |
+
ATOM 480 CA ILE A1038 29.633 38.934 -49.076 1.00 89.63 C
|
| 481 |
+
ATOM 481 C ILE A1038 30.440 38.241 -47.969 1.00 89.63 C
|
| 482 |
+
ATOM 482 CB ILE A1038 29.433 37.970 -50.281 1.00 89.63 C
|
| 483 |
+
ATOM 483 O ILE A1038 29.877 37.837 -46.948 1.00 89.63 O
|
| 484 |
+
ATOM 484 CG1 ILE A1038 28.687 38.605 -51.477 1.00 89.63 C
|
| 485 |
+
ATOM 485 CG2 ILE A1038 28.632 36.742 -49.798 1.00 89.63 C
|
| 486 |
+
ATOM 486 CD1 ILE A1038 28.736 37.782 -52.769 1.00 89.63 C
|
| 487 |
+
ATOM 487 N ASP A1039 31.762 38.158 -48.132 1.00 85.67 N
|
| 488 |
+
ATOM 488 CA ASP A1039 32.666 37.512 -47.170 1.00 85.67 C
|
| 489 |
+
ATOM 489 C ASP A1039 32.741 38.258 -45.826 1.00 85.67 C
|
| 490 |
+
ATOM 490 CB ASP A1039 34.058 37.357 -47.807 1.00 85.67 C
|
| 491 |
+
ATOM 491 O ASP A1039 32.845 37.632 -44.772 1.00 85.67 O
|
| 492 |
+
ATOM 492 CG ASP A1039 34.105 36.329 -48.947 1.00 85.67 C
|
| 493 |
+
ATOM 493 OD1 ASP A1039 33.129 35.551 -49.100 1.00 85.67 O
|
| 494 |
+
ATOM 494 OD2 ASP A1039 35.151 36.262 -49.620 1.00 85.67 O
|
| 495 |
+
ATOM 495 N LEU A1040 32.585 39.587 -45.840 1.00 84.03 N
|
| 496 |
+
ATOM 496 CA LEU A1040 32.453 40.428 -44.641 1.00 84.03 C
|
| 497 |
+
ATOM 497 C LEU A1040 31.030 40.459 -44.041 1.00 84.03 C
|
| 498 |
+
ATOM 498 CB LEU A1040 32.979 41.842 -44.958 1.00 84.03 C
|
| 499 |
+
ATOM 499 O LEU A1040 30.780 41.244 -43.127 1.00 84.03 O
|
| 500 |
+
ATOM 500 CG LEU A1040 34.500 41.924 -45.188 1.00 84.03 C
|
| 501 |
+
ATOM 501 CD1 LEU A1040 34.846 43.336 -45.671 1.00 84.03 C
|
| 502 |
+
ATOM 502 CD2 LEU A1040 35.299 41.657 -43.909 1.00 84.03 C
|
| 503 |
+
ATOM 503 N HIS A1041 30.101 39.631 -44.536 1.00 83.82 N
|
| 504 |
+
ATOM 504 CA HIS A1041 28.716 39.503 -44.047 1.00 83.82 C
|
| 505 |
+
ATOM 505 C HIS A1041 27.925 40.831 -44.043 1.00 83.82 C
|
| 506 |
+
ATOM 506 CB HIS A1041 28.676 38.796 -42.676 1.00 83.82 C
|
| 507 |
+
ATOM 507 O HIS A1041 27.117 41.081 -43.143 1.00 83.82 O
|
| 508 |
+
ATOM 508 CG HIS A1041 29.317 37.432 -42.563 1.00 83.82 C
|
| 509 |
+
ATOM 509 CD2 HIS A1041 29.918 36.679 -43.541 1.00 83.82 C
|
| 510 |
+
ATOM 510 ND1 HIS A1041 29.379 36.699 -41.400 1.00 83.82 N
|
| 511 |
+
ATOM 511 CE1 HIS A1041 30.001 35.542 -41.666 1.00 83.82 C
|
| 512 |
+
ATOM 512 NE2 HIS A1041 30.319 35.465 -42.967 1.00 83.82 N
|
| 513 |
+
ATOM 513 N LYS A1042 28.174 41.705 -45.030 1.00 83.64 N
|
| 514 |
+
ATOM 514 CA LYS A1042 27.542 43.037 -45.115 1.00 83.64 C
|
| 515 |
+
ATOM 515 C LYS A1042 26.154 43.026 -45.761 1.00 83.64 C
|
| 516 |
+
ATOM 516 CB LYS A1042 28.481 44.016 -45.834 1.00 83.64 C
|
| 517 |
+
ATOM 517 O LYS A1042 25.365 43.919 -45.476 1.00 83.64 O
|
| 518 |
+
ATOM 518 CG LYS A1042 29.695 44.364 -44.959 1.00 83.64 C
|
| 519 |
+
ATOM 519 CD LYS A1042 30.669 45.267 -45.720 1.00 83.64 C
|
| 520 |
+
ATOM 520 CE LYS A1042 31.804 45.727 -44.800 1.00 83.64 C
|
| 521 |
+
ATOM 521 NZ LYS A1042 32.781 46.577 -45.529 1.00 83.64 N
|
| 522 |
+
ATOM 522 N TYR A1043 25.854 42.029 -46.592 1.00 87.84 N
|
| 523 |
+
ATOM 523 CA TYR A1043 24.527 41.832 -47.177 1.00 87.84 C
|
| 524 |
+
ATOM 524 C TYR A1043 23.645 41.018 -46.229 1.00 87.84 C
|
| 525 |
+
ATOM 525 CB TYR A1043 24.656 41.158 -48.552 1.00 87.84 C
|
| 526 |
+
ATOM 526 O TYR A1043 24.025 39.915 -45.831 1.00 87.84 O
|
| 527 |
+
ATOM 527 CG TYR A1043 25.555 41.912 -49.512 1.00 87.84 C
|
| 528 |
+
ATOM 528 CD1 TYR A1043 25.235 43.233 -49.866 1.00 87.84 C
|
| 529 |
+
ATOM 529 CD2 TYR A1043 26.718 41.316 -50.032 1.00 87.84 C
|
| 530 |
+
ATOM 530 CE1 TYR A1043 26.064 43.966 -50.728 1.00 87.84 C
|
| 531 |
+
ATOM 531 CE2 TYR A1043 27.544 42.040 -50.915 1.00 87.84 C
|
| 532 |
+
ATOM 532 OH TYR A1043 28.037 44.075 -52.074 1.00 87.84 O
|
| 533 |
+
ATOM 533 CZ TYR A1043 27.219 43.366 -51.261 1.00 87.84 C
|
| 534 |
+
ATOM 534 N LEU A1044 22.479 41.565 -45.873 1.00 82.02 N
|
| 535 |
+
ATOM 535 CA LEU A1044 21.450 40.881 -45.078 1.00 82.02 C
|
| 536 |
+
ATOM 536 C LEU A1044 20.145 40.689 -45.870 1.00 82.02 C
|
| 537 |
+
ATOM 537 CB LEU A1044 21.208 41.668 -43.777 1.00 82.02 C
|
| 538 |
+
ATOM 538 O LEU A1044 19.339 39.845 -45.502 1.00 82.02 O
|
| 539 |
+
ATOM 539 CG LEU A1044 22.404 41.715 -42.806 1.00 82.02 C
|
| 540 |
+
ATOM 540 CD1 LEU A1044 22.054 42.602 -41.607 1.00 82.02 C
|
| 541 |
+
ATOM 541 CD2 LEU A1044 22.782 40.334 -42.262 1.00 82.02 C
|
| 542 |
+
ATOM 542 N THR A1045 19.953 41.445 -46.951 1.00 85.65 N
|
| 543 |
+
ATOM 543 CA THR A1045 18.864 41.302 -47.930 1.00 85.65 C
|
| 544 |
+
ATOM 544 C THR A1045 19.429 41.292 -49.351 1.00 85.65 C
|
| 545 |
+
ATOM 545 CB THR A1045 17.842 42.445 -47.811 1.00 85.65 C
|
| 546 |
+
ATOM 546 O THR A1045 20.550 41.756 -49.582 1.00 85.65 O
|
| 547 |
+
ATOM 547 CG2 THR A1045 17.204 42.517 -46.429 1.00 85.65 C
|
| 548 |
+
ATOM 548 OG1 THR A1045 18.467 43.682 -48.075 1.00 85.65 O
|
| 549 |
+
ATOM 549 N VAL A1046 18.656 40.811 -50.329 1.00 88.93 N
|
| 550 |
+
ATOM 550 CA VAL A1046 19.056 40.881 -51.747 1.00 88.93 C
|
| 551 |
+
ATOM 551 C VAL A1046 19.004 42.330 -52.254 1.00 88.93 C
|
| 552 |
+
ATOM 552 CB VAL A1046 18.211 39.913 -52.598 1.00 88.93 C
|
| 553 |
+
ATOM 553 O VAL A1046 19.863 42.749 -53.031 1.00 88.93 O
|
| 554 |
+
ATOM 554 CG1 VAL A1046 18.641 39.935 -54.066 1.00 88.93 C
|
| 555 |
+
ATOM 555 CG2 VAL A1046 18.399 38.476 -52.090 1.00 88.93 C
|
| 556 |
+
ATOM 556 N LYS A1047 18.104 43.149 -51.698 1.00 88.26 N
|
| 557 |
+
ATOM 557 CA LYS A1047 18.054 44.614 -51.869 1.00 88.26 C
|
| 558 |
+
ATOM 558 C LYS A1047 19.358 45.327 -51.465 1.00 88.26 C
|
| 559 |
+
ATOM 559 CB LYS A1047 16.854 45.153 -51.062 1.00 88.26 C
|
| 560 |
+
ATOM 560 O LYS A1047 19.693 46.358 -52.043 1.00 88.26 O
|
| 561 |
+
ATOM 561 CG LYS A1047 15.501 44.632 -51.594 1.00 88.26 C
|
| 562 |
+
ATOM 562 CD LYS A1047 14.382 44.673 -50.539 1.00 88.26 C
|
| 563 |
+
ATOM 563 CE LYS A1047 13.198 43.812 -51.010 1.00 88.26 C
|
| 564 |
+
ATOM 564 NZ LYS A1047 12.206 43.572 -49.931 1.00 88.26 N
|
| 565 |
+
ATOM 565 N ASP A1048 20.135 44.803 -50.512 1.00 89.54 N
|
| 566 |
+
ATOM 566 CA ASP A1048 21.465 45.352 -50.187 1.00 89.54 C
|
| 567 |
+
ATOM 567 C ASP A1048 22.500 45.063 -51.284 1.00 89.54 C
|
| 568 |
+
ATOM 568 CB ASP A1048 21.993 44.797 -48.854 1.00 89.54 C
|
| 569 |
+
ATOM 569 O ASP A1048 23.357 45.900 -51.560 1.00 89.54 O
|
| 570 |
+
ATOM 570 CG ASP A1048 21.118 45.107 -47.648 1.00 89.54 C
|
| 571 |
+
ATOM 571 OD1 ASP A1048 20.700 46.281 -47.528 1.00 89.54 O
|
| 572 |
+
ATOM 572 OD2 ASP A1048 20.900 44.169 -46.839 1.00 89.54 O
|
| 573 |
+
ATOM 573 N TYR A1049 22.412 43.885 -51.905 1.00 92.77 N
|
| 574 |
+
ATOM 574 CA TYR A1049 23.302 43.440 -52.976 1.00 92.77 C
|
| 575 |
+
ATOM 575 C TYR A1049 23.026 44.174 -54.293 1.00 92.77 C
|
| 576 |
+
ATOM 576 CB TYR A1049 23.153 41.920 -53.115 1.00 92.77 C
|
| 577 |
+
ATOM 577 O TYR A1049 23.954 44.688 -54.917 1.00 92.77 O
|
| 578 |
+
ATOM 578 CG TYR A1049 23.837 41.338 -54.329 1.00 92.77 C
|
| 579 |
+
ATOM 579 CD1 TYR A1049 23.112 41.129 -55.520 1.00 92.77 C
|
| 580 |
+
ATOM 580 CD2 TYR A1049 25.199 41.005 -54.262 1.00 92.77 C
|
| 581 |
+
ATOM 581 CE1 TYR A1049 23.753 40.584 -56.649 1.00 92.77 C
|
| 582 |
+
ATOM 582 CE2 TYR A1049 25.834 40.448 -55.383 1.00 92.77 C
|
| 583 |
+
ATOM 583 OH TYR A1049 25.736 39.714 -57.670 1.00 92.77 O
|
| 584 |
+
ATOM 584 CZ TYR A1049 25.116 40.240 -56.582 1.00 92.77 C
|
| 585 |
+
ATOM 585 N LEU A1050 21.750 44.287 -54.679 1.00 92.14 N
|
| 586 |
+
ATOM 586 CA LEU A1050 21.334 44.988 -55.897 1.00 92.14 C
|
| 587 |
+
ATOM 587 C LEU A1050 21.805 46.449 -55.908 1.00 92.14 C
|
| 588 |
+
ATOM 588 CB LEU A1050 19.806 44.883 -56.048 1.00 92.14 C
|
| 589 |
+
ATOM 589 O LEU A1050 22.364 46.889 -56.905 1.00 92.14 O
|
| 590 |
+
ATOM 590 CG LEU A1050 19.324 43.488 -56.491 1.00 92.14 C
|
| 591 |
+
ATOM 591 CD1 LEU A1050 17.802 43.411 -56.385 1.00 92.14 C
|
| 592 |
+
ATOM 592 CD2 LEU A1050 19.731 43.181 -57.935 1.00 92.14 C
|
| 593 |
+
ATOM 593 N ARG A1051 21.726 47.158 -54.772 1.00 92.66 N
|
| 594 |
+
ATOM 594 CA ARG A1051 22.212 48.548 -54.659 1.00 92.66 C
|
| 595 |
+
ATOM 595 C ARG A1051 23.705 48.717 -54.961 1.00 92.66 C
|
| 596 |
+
ATOM 596 CB ARG A1051 21.887 49.104 -53.265 1.00 92.66 C
|
| 597 |
+
ATOM 597 O ARG A1051 24.097 49.768 -55.457 1.00 92.66 O
|
| 598 |
+
ATOM 598 CG ARG A1051 20.386 49.397 -53.123 1.00 92.66 C
|
| 599 |
+
ATOM 599 CD ARG A1051 20.029 50.019 -51.767 1.00 92.66 C
|
| 600 |
+
ATOM 600 NE ARG A1051 20.382 49.160 -50.611 1.00 92.66 N
|
| 601 |
+
ATOM 601 NH1 ARG A1051 21.621 50.695 -49.439 1.00 92.66 N
|
| 602 |
+
ATOM 602 NH2 ARG A1051 21.173 48.751 -48.489 1.00 92.66 N
|
| 603 |
+
ATOM 603 CZ ARG A1051 21.049 49.526 -49.528 1.00 92.66 C
|
| 604 |
+
ATOM 604 N ASP A1052 24.538 47.710 -54.695 1.00 93.21 N
|
| 605 |
+
ATOM 605 CA ASP A1052 25.954 47.750 -55.085 1.00 93.21 C
|
| 606 |
+
ATOM 606 C ASP A1052 26.163 47.436 -56.574 1.00 93.21 C
|
| 607 |
+
ATOM 607 CB ASP A1052 26.776 46.793 -54.215 1.00 93.21 C
|
| 608 |
+
ATOM 608 O ASP A1052 27.076 47.987 -57.188 1.00 93.21 O
|
| 609 |
+
ATOM 609 CG ASP A1052 27.165 47.377 -52.860 1.00 93.21 C
|
| 610 |
+
ATOM 610 OD1 ASP A1052 27.436 48.591 -52.736 1.00 93.21 O
|
| 611 |
+
ATOM 611 OD2 ASP A1052 27.432 46.593 -51.921 1.00 93.21 O
|
| 612 |
+
ATOM 612 N ILE A1053 25.310 46.606 -57.180 1.00 92.56 N
|
| 613 |
+
ATOM 613 CA ILE A1053 25.300 46.371 -58.632 1.00 92.56 C
|
| 614 |
+
ATOM 614 C ILE A1053 24.829 47.628 -59.387 1.00 92.56 C
|
| 615 |
+
ATOM 615 CB ILE A1053 24.443 45.125 -58.959 1.00 92.56 C
|
| 616 |
+
ATOM 616 O ILE A1053 25.447 48.027 -60.377 1.00 92.56 O
|
| 617 |
+
ATOM 617 CG1 ILE A1053 24.979 43.821 -58.317 1.00 92.56 C
|
| 618 |
+
ATOM 618 CG2 ILE A1053 24.298 44.952 -60.477 1.00 92.56 C
|
| 619 |
+
ATOM 619 CD1 ILE A1053 26.399 43.400 -58.723 1.00 92.56 C
|
| 620 |
+
ATOM 620 N ASP A1054 23.797 48.308 -58.887 1.00 93.25 N
|
| 621 |
+
ATOM 621 CA ASP A1054 23.337 49.596 -59.413 1.00 93.25 C
|
| 622 |
+
ATOM 622 C ASP A1054 24.390 50.697 -59.253 1.00 93.25 C
|
| 623 |
+
ATOM 623 CB ASP A1054 22.046 50.027 -58.707 1.00 93.25 C
|
| 624 |
+
ATOM 624 O ASP A1054 24.494 51.572 -60.113 1.00 93.25 O
|
| 625 |
+
ATOM 625 CG ASP A1054 20.841 49.177 -59.098 1.00 93.25 C
|
| 626 |
+
ATOM 626 OD1 ASP A1054 20.719 48.869 -60.309 1.00 93.25 O
|
| 627 |
+
ATOM 627 OD2 ASP A1054 20.040 48.891 -58.183 1.00 93.25 O
|
| 628 |
+
ATOM 628 N LEU A1055 25.218 50.643 -58.203 1.00 92.43 N
|
| 629 |
+
ATOM 629 CA LEU A1055 26.352 51.551 -58.029 1.00 92.43 C
|
| 630 |
+
ATOM 630 C LEU A1055 27.445 51.307 -59.083 1.00 92.43 C
|
| 631 |
+
ATOM 631 CB LEU A1055 26.867 51.439 -56.584 1.00 92.43 C
|
| 632 |
+
ATOM 632 O LEU A1055 27.932 52.276 -59.662 1.00 92.43 O
|
| 633 |
+
ATOM 633 CG LEU A1055 28.027 52.388 -56.237 1.00 92.43 C
|
| 634 |
+
ATOM 634 CD1 LEU A1055 27.661 53.864 -56.394 1.00 92.43 C
|
| 635 |
+
ATOM 635 CD2 LEU A1055 28.439 52.151 -54.785 1.00 92.43 C
|
| 636 |
+
ATOM 636 N ILE A1056 27.769 50.048 -59.422 1.00 91.71 N
|
| 637 |
+
ATOM 637 CA ILE A1056 28.648 49.728 -60.572 1.00 91.71 C
|
| 638 |
+
ATOM 638 C ILE A1056 28.072 50.344 -61.857 1.00 91.71 C
|
| 639 |
+
ATOM 639 CB ILE A1056 28.852 48.197 -60.748 1.00 91.71 C
|
| 640 |
+
ATOM 640 O ILE A1056 28.794 50.993 -62.619 1.00 91.71 O
|
| 641 |
+
ATOM 641 CG1 ILE A1056 29.532 47.560 -59.518 1.00 91.71 C
|
| 642 |
+
ATOM 642 CG2 ILE A1056 29.702 47.890 -62.000 1.00 91.71 C
|
| 643 |
+
ATOM 643 CD1 ILE A1056 29.529 46.026 -59.492 1.00 91.71 C
|
| 644 |
+
ATOM 644 N CYS A1057 26.763 50.184 -62.087 1.00 92.03 N
|
| 645 |
+
ATOM 645 CA CYS A1057 26.097 50.741 -63.263 1.00 92.03 C
|
| 646 |
+
ATOM 646 C CYS A1057 26.110 52.280 -63.277 1.00 92.03 C
|
| 647 |
+
ATOM 647 CB CYS A1057 24.674 50.174 -63.350 1.00 92.03 C
|
| 648 |
+
ATOM 648 O CYS A1057 26.361 52.885 -64.319 1.00 92.03 O
|
| 649 |
+
ATOM 649 SG CYS A1057 23.959 50.593 -64.969 1.00 92.03 S
|
| 650 |
+
ATOM 650 N SER A1058 25.873 52.914 -62.129 1.00 91.96 N
|
| 651 |
+
ATOM 651 CA SER A1058 25.823 54.373 -61.981 1.00 91.96 C
|
| 652 |
+
ATOM 652 C SER A1058 27.199 55.002 -62.181 1.00 91.96 C
|
| 653 |
+
ATOM 653 CB SER A1058 25.257 54.759 -60.611 1.00 91.96 C
|
| 654 |
+
ATOM 654 O SER A1058 27.330 55.914 -62.993 1.00 91.96 O
|
| 655 |
+
ATOM 655 OG SER A1058 23.958 54.218 -60.453 1.00 91.96 O
|
| 656 |
+
ATOM 656 N ASN A1059 28.239 54.451 -61.547 1.00 90.42 N
|
| 657 |
+
ATOM 657 CA ASN A1059 29.626 54.890 -61.719 1.00 90.42 C
|
| 658 |
+
ATOM 658 C ASN A1059 30.065 54.809 -63.192 1.00 90.42 C
|
| 659 |
+
ATOM 659 CB ASN A1059 30.540 53.994 -60.862 1.00 90.42 C
|
| 660 |
+
ATOM 660 O ASN A1059 30.694 55.726 -63.719 1.00 90.42 O
|
| 661 |
+
ATOM 661 CG ASN A1059 30.383 54.152 -59.360 1.00 90.42 C
|
| 662 |
+
ATOM 662 ND2 ASN A1059 30.957 53.238 -58.613 1.00 90.42 N
|
| 663 |
+
ATOM 663 OD1 ASN A1059 29.805 55.086 -58.837 1.00 90.42 O
|
| 664 |
+
ATOM 664 N ALA A1060 29.695 53.727 -63.886 1.00 88.95 N
|
| 665 |
+
ATOM 665 CA ALA A1060 30.000 53.559 -65.303 1.00 88.95 C
|
| 666 |
+
ATOM 666 C ALA A1060 29.262 54.573 -66.200 1.00 88.95 C
|
| 667 |
+
ATOM 667 CB ALA A1060 29.671 52.117 -65.694 1.00 88.95 C
|
| 668 |
+
ATOM 668 O ALA A1060 29.819 55.001 -67.211 1.00 88.95 O
|
| 669 |
+
ATOM 669 N LEU A1061 28.039 54.976 -65.840 1.00 88.73 N
|
| 670 |
+
ATOM 670 CA LEU A1061 27.265 55.996 -66.558 1.00 88.73 C
|
| 671 |
+
ATOM 671 C LEU A1061 27.729 57.432 -66.250 1.00 88.73 C
|
| 672 |
+
ATOM 672 CB LEU A1061 25.771 55.822 -66.225 1.00 88.73 C
|
| 673 |
+
ATOM 673 O LEU A1061 27.616 58.284 -67.133 1.00 88.73 O
|
| 674 |
+
ATOM 674 CG LEU A1061 25.114 54.565 -66.828 1.00 88.73 C
|
| 675 |
+
ATOM 675 CD1 LEU A1061 23.747 54.334 -66.181 1.00 88.73 C
|
| 676 |
+
ATOM 676 CD2 LEU A1061 24.896 54.690 -68.337 1.00 88.73 C
|
| 677 |
+
ATOM 677 N GLU A1062 28.235 57.693 -65.040 1.00 87.85 N
|
| 678 |
+
ATOM 678 CA GLU A1062 28.779 58.989 -64.601 1.00 87.85 C
|
| 679 |
+
ATOM 679 C GLU A1062 30.172 59.255 -65.194 1.00 87.85 C
|
| 680 |
+
ATOM 680 CB GLU A1062 28.770 59.042 -63.053 1.00 87.85 C
|
| 681 |
+
ATOM 681 O GLU A1062 30.422 60.357 -65.677 1.00 87.85 O
|
| 682 |
+
ATOM 682 CG GLU A1062 29.255 60.383 -62.459 1.00 87.85 C
|
| 683 |
+
ATOM 683 CD GLU A1062 29.027 60.515 -60.934 1.00 87.85 C
|
| 684 |
+
ATOM 684 OE1 GLU A1062 28.835 61.663 -60.461 1.00 87.85 O
|
| 685 |
+
ATOM 685 OE2 GLU A1062 29.040 59.482 -60.227 1.00 87.85 O
|
| 686 |
+
ATOM 686 N TYR A1063 31.055 58.247 -65.227 1.00 86.93 N
|
| 687 |
+
ATOM 687 CA TYR A1063 32.425 58.415 -65.729 1.00 86.93 C
|
| 688 |
+
ATOM 688 C TYR A1063 32.537 58.442 -67.264 1.00 86.93 C
|
| 689 |
+
ATOM 689 CB TYR A1063 33.333 57.324 -65.137 1.00 86.93 C
|
| 690 |
+
ATOM 690 O TYR A1063 33.311 59.222 -67.809 1.00 86.93 O
|
| 691 |
+
ATOM 691 CG TYR A1063 34.802 57.614 -65.376 1.00 86.93 C
|
| 692 |
+
ATOM 692 CD1 TYR A1063 35.508 56.980 -66.418 1.00 86.93 C
|
| 693 |
+
ATOM 693 CD2 TYR A1063 35.429 58.613 -64.608 1.00 86.93 C
|
| 694 |
+
ATOM 694 CE1 TYR A1063 36.831 57.370 -66.705 1.00 86.93 C
|
| 695 |
+
ATOM 695 CE2 TYR A1063 36.743 59.020 -64.905 1.00 86.93 C
|
| 696 |
+
ATOM 696 OH TYR A1063 38.683 58.838 -66.300 1.00 86.93 O
|
| 697 |
+
ATOM 697 CZ TYR A1063 37.440 58.407 -65.967 1.00 86.93 C
|
| 698 |
+
ATOM 698 N ASN A1064 31.777 57.597 -67.973 1.00 85.95 N
|
| 699 |
+
ATOM 699 CA ASN A1064 31.932 57.387 -69.419 1.00 85.95 C
|
| 700 |
+
ATOM 700 C ASN A1064 30.811 58.123 -70.189 1.00 85.95 C
|
| 701 |
+
ATOM 701 CB ASN A1064 31.921 55.871 -69.724 1.00 85.95 C
|
| 702 |
+
ATOM 702 O ASN A1064 29.667 57.666 -70.134 1.00 85.95 O
|
| 703 |
+
ATOM 703 CG ASN A1064 32.931 55.052 -68.943 1.00 85.95 C
|
| 704 |
+
ATOM 704 ND2 ASN A1064 32.563 54.565 -67.784 1.00 85.95 N
|
| 705 |
+
ATOM 705 OD1 ASN A1064 34.037 54.783 -69.366 1.00 85.95 O
|
| 706 |
+
ATOM 706 N PRO A1065 31.056 59.243 -70.897 1.00 81.94 N
|
| 707 |
+
ATOM 707 CA PRO A1065 30.045 59.921 -71.718 1.00 81.94 C
|
| 708 |
+
ATOM 708 C PRO A1065 29.804 59.228 -73.075 1.00 81.94 C
|
| 709 |
+
ATOM 709 CB PRO A1065 30.588 61.343 -71.899 1.00 81.94 C
|
| 710 |
+
ATOM 710 O PRO A1065 30.700 58.633 -73.657 1.00 81.94 O
|
| 711 |
+
ATOM 711 CG PRO A1065 32.105 61.138 -71.885 1.00 81.94 C
|
| 712 |
+
ATOM 712 CD PRO A1065 32.282 60.029 -70.851 1.00 81.94 C
|
| 713 |
+
ATOM 713 N ASP A1066 28.617 59.387 -73.677 1.00 81.90 N
|
| 714 |
+
ATOM 714 CA ASP A1066 28.239 58.715 -74.946 1.00 81.90 C
|
| 715 |
+
ATOM 715 C ASP A1066 29.011 59.167 -76.212 1.00 81.90 C
|
| 716 |
+
ATOM 716 CB ASP A1066 26.728 58.874 -75.198 1.00 81.90 C
|
| 717 |
+
ATOM 717 O ASP A1066 28.612 58.826 -77.333 1.00 81.90 O
|
| 718 |
+
ATOM 718 CG ASP A1066 25.877 58.269 -74.091 1.00 81.90 C
|
| 719 |
+
ATOM 719 OD1 ASP A1066 26.004 57.049 -73.838 1.00 81.90 O
|
| 720 |
+
ATOM 720 OD2 ASP A1066 25.118 59.031 -73.454 1.00 81.90 O
|
| 721 |
+
ATOM 721 N ARG A1067 30.081 59.959 -76.064 1.00 81.22 N
|
| 722 |
+
ATOM 722 CA ARG A1067 30.848 60.551 -77.173 1.00 81.22 C
|
| 723 |
+
ATOM 723 C ARG A1067 31.640 59.495 -77.933 1.00 81.22 C
|
| 724 |
+
ATOM 724 CB ARG A1067 31.783 61.654 -76.650 1.00 81.22 C
|
| 725 |
+
ATOM 725 O ARG A1067 31.499 59.395 -79.152 1.00 81.22 O
|
| 726 |
+
ATOM 726 CG ARG A1067 30.991 62.853 -76.113 1.00 81.22 C
|
| 727 |
+
ATOM 727 CD ARG A1067 31.930 63.992 -75.708 1.00 81.22 C
|
| 728 |
+
ATOM 728 NE ARG A1067 31.160 65.166 -75.245 1.00 81.22 N
|
| 729 |
+
ATOM 729 NH1 ARG A1067 32.791 66.748 -75.555 1.00 81.22 N
|
| 730 |
+
ATOM 730 NH2 ARG A1067 30.794 67.361 -74.767 1.00 81.22 N
|
| 731 |
+
ATOM 731 CZ ARG A1067 31.584 66.415 -75.193 1.00 81.22 C
|
| 732 |
+
ATOM 732 N ASP A1068 32.408 58.692 -77.209 1.00 84.29 N
|
| 733 |
+
ATOM 733 CA ASP A1068 33.355 57.748 -77.785 1.00 84.29 C
|
| 734 |
+
ATOM 734 C ASP A1068 32.776 56.326 -77.905 1.00 84.29 C
|
| 735 |
+
ATOM 735 CB ASP A1068 34.677 57.831 -77.010 1.00 84.29 C
|
| 736 |
+
ATOM 736 O ASP A1068 31.919 55.908 -77.116 1.00 84.29 O
|
| 737 |
+
ATOM 737 CG ASP A1068 35.418 59.090 -77.464 1.00 84.29 C
|
| 738 |
+
ATOM 738 OD1 ASP A1068 36.015 59.002 -78.563 1.00 84.29 O
|
| 739 |
+
ATOM 739 OD2 ASP A1068 35.262 60.150 -76.815 1.00 84.29 O
|
| 740 |
+
ATOM 740 N PRO A1069 33.204 55.543 -78.915 1.00 84.29 N
|
| 741 |
+
ATOM 741 CA PRO A1069 32.666 54.204 -79.142 1.00 84.29 C
|
| 742 |
+
ATOM 742 C PRO A1069 33.064 53.209 -78.040 1.00 84.29 C
|
| 743 |
+
ATOM 743 CB PRO A1069 33.191 53.795 -80.523 1.00 84.29 C
|
| 744 |
+
ATOM 744 O PRO A1069 32.315 52.267 -77.785 1.00 84.29 O
|
| 745 |
+
ATOM 745 CG PRO A1069 34.489 54.591 -80.672 1.00 84.29 C
|
| 746 |
+
ATOM 746 CD PRO A1069 34.177 55.894 -79.941 1.00 84.29 C
|
| 747 |
+
ATOM 747 N GLY A1070 34.208 53.413 -77.374 1.00 82.78 N
|
| 748 |
+
ATOM 748 CA GLY A1070 34.641 52.604 -76.229 1.00 82.78 C
|
| 749 |
+
ATOM 749 C GLY A1070 33.724 52.802 -75.022 1.00 82.78 C
|
| 750 |
+
ATOM 750 O GLY A1070 33.113 51.847 -74.541 1.00 82.78 O
|
| 751 |
+
ATOM 751 N ASP A1071 33.558 54.054 -74.610 1.00 85.58 N
|
| 752 |
+
ATOM 752 CA ASP A1071 32.687 54.525 -73.532 1.00 85.58 C
|
| 753 |
+
ATOM 753 C ASP A1071 31.252 54.016 -73.697 1.00 85.58 C
|
| 754 |
+
ATOM 754 CB ASP A1071 32.694 56.063 -73.558 1.00 85.58 C
|
| 755 |
+
ATOM 755 O ASP A1071 30.675 53.430 -72.778 1.00 85.58 O
|
| 756 |
+
ATOM 756 CG ASP A1071 34.058 56.680 -73.234 1.00 85.58 C
|
| 757 |
+
ATOM 757 OD1 ASP A1071 35.074 56.106 -73.691 1.00 85.58 O
|
| 758 |
+
ATOM 758 OD2 ASP A1071 34.048 57.736 -72.571 1.00 85.58 O
|
| 759 |
+
ATOM 759 N ARG A1072 30.695 54.133 -74.909 1.00 87.66 N
|
| 760 |
+
ATOM 760 CA ARG A1072 29.362 53.606 -75.235 1.00 87.66 C
|
| 761 |
+
ATOM 761 C ARG A1072 29.270 52.087 -75.042 1.00 87.66 C
|
| 762 |
+
ATOM 762 CB ARG A1072 29.006 54.041 -76.661 1.00 87.66 C
|
| 763 |
+
ATOM 763 O ARG A1072 28.268 51.594 -74.522 1.00 87.66 O
|
| 764 |
+
ATOM 764 CG ARG A1072 27.510 53.840 -76.955 1.00 87.66 C
|
| 765 |
+
ATOM 765 CD ARG A1072 27.130 54.296 -78.368 1.00 87.66 C
|
| 766 |
+
ATOM 766 NE ARG A1072 27.463 55.719 -78.588 1.00 87.66 N
|
| 767 |
+
ATOM 767 NH1 ARG A1072 27.569 55.701 -80.878 1.00 87.66 N
|
| 768 |
+
ATOM 768 NH2 ARG A1072 28.198 57.521 -79.750 1.00 87.66 N
|
| 769 |
+
ATOM 769 CZ ARG A1072 27.737 56.306 -79.735 1.00 87.66 C
|
| 770 |
+
ATOM 770 N LEU A1073 30.314 51.331 -75.399 1.00 88.73 N
|
| 771 |
+
ATOM 771 CA LEU A1073 30.383 49.893 -75.109 1.00 88.73 C
|
| 772 |
+
ATOM 772 C LEU A1073 30.452 49.607 -73.600 1.00 88.73 C
|
| 773 |
+
ATOM 773 CB LEU A1073 31.573 49.232 -75.840 1.00 88.73 C
|
| 774 |
+
ATOM 774 O LEU A1073 29.843 48.634 -73.152 1.00 88.73 O
|
| 775 |
+
ATOM 775 CG LEU A1073 31.162 48.450 -77.099 1.00 88.73 C
|
| 776 |
+
ATOM 776 CD1 LEU A1073 30.888 49.362 -78.292 1.00 88.73 C
|
| 777 |
+
ATOM 777 CD2 LEU A1073 32.266 47.466 -77.492 1.00 88.73 C
|
| 778 |
+
ATOM 778 N ILE A1074 31.157 50.427 -72.813 1.00 88.17 N
|
| 779 |
+
ATOM 779 CA ILE A1074 31.217 50.290 -71.347 1.00 88.17 C
|
| 780 |
+
ATOM 780 C ILE A1074 29.832 50.546 -70.739 1.00 88.17 C
|
| 781 |
+
ATOM 781 CB ILE A1074 32.324 51.190 -70.741 1.00 88.17 C
|
| 782 |
+
ATOM 782 O ILE A1074 29.349 49.705 -69.982 1.00 88.17 O
|
| 783 |
+
ATOM 783 CG1 ILE A1074 33.713 50.726 -71.241 1.00 88.17 C
|
| 784 |
+
ATOM 784 CG2 ILE A1074 32.282 51.150 -69.200 1.00 88.17 C
|
| 785 |
+
ATOM 785 CD1 ILE A1074 34.851 51.706 -70.926 1.00 88.17 C
|
| 786 |
+
ATOM 786 N ARG A1075 29.138 51.618 -71.141 1.00 91.11 N
|
| 787 |
+
ATOM 787 CA ARG A1075 27.766 51.931 -70.695 1.00 91.11 C
|
| 788 |
+
ATOM 788 C ARG A1075 26.766 50.818 -71.013 1.00 91.11 C
|
| 789 |
+
ATOM 789 CB ARG A1075 27.299 53.244 -71.334 1.00 91.11 C
|
| 790 |
+
ATOM 790 O ARG A1075 26.016 50.395 -70.132 1.00 91.11 O
|
| 791 |
+
ATOM 791 CG ARG A1075 28.051 54.472 -70.805 1.00 91.11 C
|
| 792 |
+
ATOM 792 CD ARG A1075 27.457 55.736 -71.439 1.00 91.11 C
|
| 793 |
+
ATOM 793 NE ARG A1075 27.145 56.749 -70.419 1.00 91.11 N
|
| 794 |
+
ATOM 794 NH1 ARG A1075 25.126 57.436 -71.230 1.00 91.11 N
|
| 795 |
+
ATOM 795 NH2 ARG A1075 25.952 58.380 -69.392 1.00 91.11 N
|
| 796 |
+
ATOM 796 CZ ARG A1075 26.075 57.509 -70.350 1.00 91.11 C
|
| 797 |
+
ATOM 797 N HIS A1076 26.779 50.288 -72.240 1.00 91.28 N
|
| 798 |
+
ATOM 798 CA HIS A1076 25.915 49.160 -72.608 1.00 91.28 C
|
| 799 |
+
ATOM 799 C HIS A1076 26.242 47.886 -71.812 1.00 91.28 C
|
| 800 |
+
ATOM 800 CB HIS A1076 26.000 48.890 -74.117 1.00 91.28 C
|
| 801 |
+
ATOM 801 O HIS A1076 25.326 47.173 -71.405 1.00 91.28 O
|
| 802 |
+
ATOM 802 CG HIS A1076 25.334 49.936 -74.979 1.00 91.28 C
|
| 803 |
+
ATOM 803 CD2 HIS A1076 25.852 50.496 -76.115 1.00 91.28 C
|
| 804 |
+
ATOM 804 ND1 HIS A1076 24.068 50.456 -74.819 1.00 91.28 N
|
| 805 |
+
ATOM 805 CE1 HIS A1076 23.840 51.317 -75.827 1.00 91.28 C
|
| 806 |
+
ATOM 806 NE2 HIS A1076 24.900 51.370 -76.649 1.00 91.28 N
|
| 807 |
+
ATOM 807 N ARG A1077 27.526 47.605 -71.537 1.00 91.72 N
|
| 808 |
+
ATOM 808 CA ARG A1077 27.931 46.478 -70.676 1.00 91.72 C
|
| 809 |
+
ATOM 809 C ARG A1077 27.528 46.683 -69.215 1.00 91.72 C
|
| 810 |
+
ATOM 810 CB ARG A1077 29.443 46.243 -70.771 1.00 91.72 C
|
| 811 |
+
ATOM 811 O ARG A1077 27.189 45.701 -68.568 1.00 91.72 O
|
| 812 |
+
ATOM 812 CG ARG A1077 29.877 45.630 -72.106 1.00 91.72 C
|
| 813 |
+
ATOM 813 CD ARG A1077 31.402 45.726 -72.206 1.00 91.72 C
|
| 814 |
+
ATOM 814 NE ARG A1077 31.903 45.147 -73.465 1.00 91.72 N
|
| 815 |
+
ATOM 815 NH1 ARG A1077 34.134 45.425 -73.017 1.00 91.72 N
|
| 816 |
+
ATOM 816 NH2 ARG A1077 33.503 44.561 -74.974 1.00 91.72 N
|
| 817 |
+
ATOM 817 CZ ARG A1077 33.172 45.042 -73.809 1.00 91.72 C
|
| 818 |
+
ATOM 818 N ALA A1078 27.543 47.916 -68.713 1.00 91.61 N
|
| 819 |
+
ATOM 819 CA ALA A1078 27.134 48.252 -67.352 1.00 91.61 C
|
| 820 |
+
ATOM 820 C ALA A1078 25.628 48.026 -67.141 1.00 91.61 C
|
| 821 |
+
ATOM 821 CB ALA A1078 27.539 49.702 -67.076 1.00 91.61 C
|
| 822 |
+
ATOM 822 O ALA A1078 25.237 47.316 -66.215 1.00 91.61 O
|
| 823 |
+
ATOM 823 N CYS A1079 24.795 48.528 -68.062 1.00 91.48 N
|
| 824 |
+
ATOM 824 CA CYS A1079 23.355 48.257 -68.049 1.00 91.48 C
|
| 825 |
+
ATOM 825 C CYS A1079 23.084 46.750 -68.177 1.00 91.48 C
|
| 826 |
+
ATOM 826 CB CYS A1079 22.657 49.044 -69.166 1.00 91.48 C
|
| 827 |
+
ATOM 827 O CYS A1079 22.357 46.191 -67.367 1.00 91.48 O
|
| 828 |
+
ATOM 828 SG CYS A1079 22.875 50.833 -68.921 1.00 91.48 S
|
| 829 |
+
ATOM 829 N ALA A1080 23.753 46.057 -69.107 1.00 93.04 N
|
| 830 |
+
ATOM 830 CA ALA A1080 23.600 44.610 -69.260 1.00 93.04 C
|
| 831 |
+
ATOM 831 C ALA A1080 24.067 43.800 -68.030 1.00 93.04 C
|
| 832 |
+
ATOM 832 CB ALA A1080 24.329 44.179 -70.537 1.00 93.04 C
|
| 833 |
+
ATOM 833 O ALA A1080 23.515 42.731 -67.773 1.00 93.04 O
|
| 834 |
+
ATOM 834 N LEU A1081 25.051 44.280 -67.257 1.00 92.66 N
|
| 835 |
+
ATOM 835 CA LEU A1081 25.472 43.655 -65.994 1.00 92.66 C
|
| 836 |
+
ATOM 836 C LEU A1081 24.350 43.758 -64.960 1.00 92.66 C
|
| 837 |
+
ATOM 837 CB LEU A1081 26.791 44.295 -65.515 1.00 92.66 C
|
| 838 |
+
ATOM 838 O LEU A1081 23.956 42.743 -64.390 1.00 92.66 O
|
| 839 |
+
ATOM 839 CG LEU A1081 27.436 43.637 -64.275 1.00 92.66 C
|
| 840 |
+
ATOM 840 CD1 LEU A1081 28.891 44.092 -64.174 1.00 92.66 C
|
| 841 |
+
ATOM 841 CD2 LEU A1081 26.790 44.027 -62.946 1.00 92.66 C
|
| 842 |
+
ATOM 842 N ARG A1082 23.794 44.961 -64.771 1.00 92.81 N
|
| 843 |
+
ATOM 843 CA ARG A1082 22.627 45.180 -63.907 1.00 92.81 C
|
| 844 |
+
ATOM 844 C ARG A1082 21.454 44.303 -64.346 1.00 92.81 C
|
| 845 |
+
ATOM 845 CB ARG A1082 22.271 46.676 -63.920 1.00 92.81 C
|
| 846 |
+
ATOM 846 O ARG A1082 20.941 43.523 -63.551 1.00 92.81 O
|
| 847 |
+
ATOM 847 CG ARG A1082 21.065 47.000 -63.023 1.00 92.81 C
|
| 848 |
+
ATOM 848 CD ARG A1082 20.447 48.357 -63.358 1.00 92.81 C
|
| 849 |
+
ATOM 849 NE ARG A1082 19.835 48.329 -64.704 1.00 92.81 N
|
| 850 |
+
ATOM 850 NH1 ARG A1082 19.551 50.575 -65.003 1.00 92.81 N
|
| 851 |
+
ATOM 851 NH2 ARG A1082 19.023 49.124 -66.639 1.00 92.81 N
|
| 852 |
+
ATOM 852 CZ ARG A1082 19.471 49.350 -65.440 1.00 92.81 C
|
| 853 |
+
ATOM 853 N ASP A1083 21.068 44.383 -65.614 1.00 94.02 N
|
| 854 |
+
ATOM 854 CA ASP A1083 19.870 43.721 -66.133 1.00 94.02 C
|
| 855 |
+
ATOM 855 C ASP A1083 19.991 42.185 -66.062 1.00 94.02 C
|
| 856 |
+
ATOM 856 CB ASP A1083 19.585 44.224 -67.562 1.00 94.02 C
|
| 857 |
+
ATOM 857 O ASP A1083 19.016 41.504 -65.748 1.00 94.02 O
|
| 858 |
+
ATOM 858 CG ASP A1083 19.355 45.745 -67.663 1.00 94.02 C
|
| 859 |
+
ATOM 859 OD1 ASP A1083 19.093 46.403 -66.627 1.00 94.02 O
|
| 860 |
+
ATOM 860 OD2 ASP A1083 19.464 46.292 -68.782 1.00 94.02 O
|
| 861 |
+
ATOM 861 N THR A1084 21.195 41.623 -66.251 1.00 92.41 N
|
| 862 |
+
ATOM 862 CA THR A1084 21.435 40.183 -66.027 1.00 92.41 C
|
| 863 |
+
ATOM 863 C THR A1084 21.480 39.794 -64.549 1.00 92.41 C
|
| 864 |
+
ATOM 864 CB THR A1084 22.688 39.642 -66.731 1.00 92.41 C
|
| 865 |
+
ATOM 865 O THR A1084 21.028 38.701 -64.218 1.00 92.41 O
|
| 866 |
+
ATOM 866 CG2 THR A1084 22.539 39.609 -68.251 1.00 92.41 C
|
| 867 |
+
ATOM 867 OG1 THR A1084 23.843 40.388 -66.442 1.00 92.41 O
|
| 868 |
+
ATOM 868 N ALA A1085 21.953 40.658 -63.645 1.00 92.43 N
|
| 869 |
+
ATOM 869 CA ALA A1085 21.878 40.405 -62.204 1.00 92.43 C
|
| 870 |
+
ATOM 870 C ALA A1085 20.419 40.363 -61.713 1.00 92.43 C
|
| 871 |
+
ATOM 871 CB ALA A1085 22.700 41.465 -61.462 1.00 92.43 C
|
| 872 |
+
ATOM 872 O ALA A1085 20.039 39.429 -61.007 1.00 92.43 O
|
| 873 |
+
ATOM 873 N TYR A1086 19.591 41.323 -62.143 1.00 92.66 N
|
| 874 |
+
ATOM 874 CA TYR A1086 18.150 41.338 -61.864 1.00 92.66 C
|
| 875 |
+
ATOM 875 C TYR A1086 17.427 40.120 -62.461 1.00 92.66 C
|
| 876 |
+
ATOM 876 CB TYR A1086 17.528 42.644 -62.385 1.00 92.66 C
|
| 877 |
+
ATOM 877 O TYR A1086 16.581 39.537 -61.785 1.00 92.66 O
|
| 878 |
+
ATOM 878 CG TYR A1086 17.540 43.787 -61.385 1.00 92.66 C
|
| 879 |
+
ATOM 879 CD1 TYR A1086 16.464 43.937 -60.489 1.00 92.66 C
|
| 880 |
+
ATOM 880 CD2 TYR A1086 18.603 44.708 -61.356 1.00 92.66 C
|
| 881 |
+
ATOM 881 CE1 TYR A1086 16.442 45.015 -59.585 1.00 92.66 C
|
| 882 |
+
ATOM 882 CE2 TYR A1086 18.585 45.795 -60.459 1.00 92.66 C
|
| 883 |
+
ATOM 883 OH TYR A1086 17.481 46.981 -58.699 1.00 92.66 O
|
| 884 |
+
ATOM 884 CZ TYR A1086 17.501 45.947 -59.573 1.00 92.66 C
|
| 885 |
+
ATOM 885 N ALA A1087 17.773 39.703 -63.686 1.00 92.41 N
|
| 886 |
+
ATOM 886 CA ALA A1087 17.203 38.504 -64.303 1.00 92.41 C
|
| 887 |
+
ATOM 887 C ALA A1087 17.535 37.230 -63.508 1.00 92.41 C
|
| 888 |
+
ATOM 888 CB ALA A1087 17.671 38.410 -65.760 1.00 92.41 C
|
| 889 |
+
ATOM 889 O ALA A1087 16.621 36.517 -63.110 1.00 92.41 O
|
| 890 |
+
ATOM 890 N ILE A1088 18.815 36.987 -63.189 1.00 91.50 N
|
| 891 |
+
ATOM 891 CA ILE A1088 19.242 35.797 -62.427 1.00 91.50 C
|
| 892 |
+
ATOM 892 C ILE A1088 18.582 35.762 -61.041 1.00 91.50 C
|
| 893 |
+
ATOM 893 CB ILE A1088 20.787 35.747 -62.320 1.00 91.50 C
|
| 894 |
+
ATOM 894 O ILE A1088 18.134 34.709 -60.599 1.00 91.50 O
|
| 895 |
+
ATOM 895 CG1 ILE A1088 21.434 35.527 -63.708 1.00 91.50 C
|
| 896 |
+
ATOM 896 CG2 ILE A1088 21.254 34.623 -61.374 1.00 91.50 C
|
| 897 |
+
ATOM 897 CD1 ILE A1088 22.937 35.848 -63.746 1.00 91.50 C
|
| 898 |
+
ATOM 898 N ILE A1089 18.480 36.907 -60.358 1.00 90.36 N
|
| 899 |
+
ATOM 899 CA ILE A1089 17.804 36.985 -59.055 1.00 90.36 C
|
| 900 |
+
ATOM 900 C ILE A1089 16.311 36.659 -59.187 1.00 90.36 C
|
| 901 |
+
ATOM 901 CB ILE A1089 18.094 38.352 -58.396 1.00 90.36 C
|
| 902 |
+
ATOM 902 O ILE A1089 15.795 35.908 -58.368 1.00 90.36 O
|
| 903 |
+
ATOM 903 CG1 ILE A1089 19.541 38.313 -57.848 1.00 90.36 C
|
| 904 |
+
ATOM 904 CG2 ILE A1089 17.104 38.683 -57.264 1.00 90.36 C
|
| 905 |
+
ATOM 905 CD1 ILE A1089 20.139 39.677 -57.501 1.00 90.36 C
|
| 906 |
+
ATOM 906 N LYS A1090 15.629 37.157 -60.224 1.00 88.21 N
|
| 907 |
+
ATOM 907 CA LYS A1090 14.202 36.882 -60.457 1.00 88.21 C
|
| 908 |
+
ATOM 908 C LYS A1090 13.915 35.452 -60.947 1.00 88.21 C
|
| 909 |
+
ATOM 909 CB LYS A1090 13.657 37.956 -61.411 1.00 88.21 C
|
| 910 |
+
ATOM 910 O LYS A1090 12.803 34.968 -60.773 1.00 88.21 O
|
| 911 |
+
ATOM 911 CG LYS A1090 12.137 37.836 -61.564 1.00 88.21 C
|
| 912 |
+
ATOM 912 CD LYS A1090 11.526 38.999 -62.342 1.00 88.21 C
|
| 913 |
+
ATOM 913 CE LYS A1090 10.020 38.728 -62.401 1.00 88.21 C
|
| 914 |
+
ATOM 914 NZ LYS A1090 9.288 39.812 -63.094 1.00 88.21 N
|
| 915 |
+
ATOM 915 N GLU A1091 14.884 34.790 -61.575 1.00 88.04 N
|
| 916 |
+
ATOM 916 CA GLU A1091 14.763 33.401 -62.044 1.00 88.04 C
|
| 917 |
+
ATOM 917 C GLU A1091 15.103 32.363 -60.960 1.00 88.04 C
|
| 918 |
+
ATOM 918 CB GLU A1091 15.669 33.194 -63.274 1.00 88.04 C
|
| 919 |
+
ATOM 919 O GLU A1091 14.563 31.259 -60.995 1.00 88.04 O
|
| 920 |
+
ATOM 920 CG GLU A1091 15.107 33.853 -64.548 1.00 88.04 C
|
| 921 |
+
ATOM 921 CD GLU A1091 16.051 33.783 -65.766 1.00 88.04 C
|
| 922 |
+
ATOM 922 OE1 GLU A1091 15.664 34.347 -66.817 1.00 88.04 O
|
| 923 |
+
ATOM 923 OE2 GLU A1091 17.154 33.192 -65.673 1.00 88.04 O
|
| 924 |
+
ATOM 924 N GLU A1092 16.003 32.686 -60.021 1.00 87.33 N
|
| 925 |
+
ATOM 925 CA GLU A1092 16.612 31.697 -59.113 1.00 87.33 C
|
| 926 |
+
ATOM 926 C GLU A1092 16.362 31.946 -57.611 1.00 87.33 C
|
| 927 |
+
ATOM 927 CB GLU A1092 18.123 31.562 -59.414 1.00 87.33 C
|
| 928 |
+
ATOM 928 O GLU A1092 16.710 31.085 -56.800 1.00 87.33 O
|
| 929 |
+
ATOM 929 CG GLU A1092 18.418 31.187 -60.876 1.00 87.33 C
|
| 930 |
+
ATOM 930 CD GLU A1092 19.898 30.934 -61.214 1.00 87.33 C
|
| 931 |
+
ATOM 931 OE1 GLU A1092 20.166 30.577 -62.389 1.00 87.33 O
|
| 932 |
+
ATOM 932 OE2 GLU A1092 20.823 31.067 -60.374 1.00 87.33 O
|
| 933 |
+
ATOM 933 N LEU A1093 15.772 33.084 -57.217 1.00 84.68 N
|
| 934 |
+
ATOM 934 CA LEU A1093 15.393 33.374 -55.827 1.00 84.68 C
|
| 935 |
+
ATOM 935 C LEU A1093 13.885 33.172 -55.605 1.00 84.68 C
|
| 936 |
+
ATOM 936 CB LEU A1093 15.808 34.809 -55.455 1.00 84.68 C
|
| 937 |
+
ATOM 937 O LEU A1093 13.065 33.682 -56.362 1.00 84.68 O
|
| 938 |
+
ATOM 938 CG LEU A1093 15.868 35.038 -53.933 1.00 84.68 C
|
| 939 |
+
ATOM 939 CD1 LEU A1093 17.261 34.708 -53.387 1.00 84.68 C
|
| 940 |
+
ATOM 940 CD2 LEU A1093 15.560 36.495 -53.603 1.00 84.68 C
|
| 941 |
+
ATOM 941 N ASP A1094 13.527 32.479 -54.526 1.00 85.67 N
|
| 942 |
+
ATOM 942 CA ASP A1094 12.142 32.336 -54.065 1.00 85.67 C
|
| 943 |
+
ATOM 943 C ASP A1094 11.678 33.602 -53.310 1.00 85.67 C
|
| 944 |
+
ATOM 944 CB ASP A1094 12.059 31.059 -53.208 1.00 85.67 C
|
| 945 |
+
ATOM 945 O ASP A1094 12.402 34.124 -52.452 1.00 85.67 O
|
| 946 |
+
ATOM 946 CG ASP A1094 10.637 30.568 -52.916 1.00 85.67 C
|
| 947 |
+
ATOM 947 OD1 ASP A1094 9.691 31.374 -53.053 1.00 85.67 O
|
| 948 |
+
ATOM 948 OD2 ASP A1094 10.525 29.379 -52.544 1.00 85.67 O
|
| 949 |
+
ATOM 949 N GLU A1095 10.465 34.087 -53.594 1.00 82.31 N
|
| 950 |
+
ATOM 950 CA GLU A1095 9.864 35.250 -52.923 1.00 82.31 C
|
| 951 |
+
ATOM 951 C GLU A1095 9.647 34.987 -51.420 1.00 82.31 C
|
| 952 |
+
ATOM 952 CB GLU A1095 8.528 35.644 -53.594 1.00 82.31 C
|
| 953 |
+
ATOM 953 O GLU A1095 9.813 35.898 -50.599 1.00 82.31 O
|
| 954 |
+
ATOM 954 CG GLU A1095 8.686 36.140 -55.048 1.00 82.31 C
|
| 955 |
+
ATOM 955 CD GLU A1095 7.388 36.686 -55.689 1.00 82.31 C
|
| 956 |
+
ATOM 956 OE1 GLU A1095 7.456 37.085 -56.878 1.00 82.31 O
|
| 957 |
+
ATOM 957 OE2 GLU A1095 6.337 36.740 -55.009 1.00 82.31 O
|
| 958 |
+
ATOM 958 N ASP A1096 9.355 33.739 -51.033 1.00 84.95 N
|
| 959 |
+
ATOM 959 CA ASP A1096 9.245 33.329 -49.624 1.00 84.95 C
|
| 960 |
+
ATOM 960 C ASP A1096 10.614 33.382 -48.909 1.00 84.95 C
|
| 961 |
+
ATOM 961 CB ASP A1096 8.638 31.908 -49.532 1.00 84.95 C
|
| 962 |
+
ATOM 962 O ASP A1096 10.688 33.640 -47.702 1.00 84.95 O
|
| 963 |
+
ATOM 963 CG ASP A1096 7.097 31.832 -49.538 1.00 84.95 C
|
| 964 |
+
ATOM 964 OD1 ASP A1096 6.429 32.883 -49.672 1.00 84.95 O
|
| 965 |
+
ATOM 965 OD2 ASP A1096 6.576 30.714 -49.295 1.00 84.95 O
|
| 966 |
+
ATOM 966 N PHE A1097 11.724 33.191 -49.636 1.00 88.31 N
|
| 967 |
+
ATOM 967 CA PHE A1097 13.077 33.224 -49.068 1.00 88.31 C
|
| 968 |
+
ATOM 968 C PHE A1097 13.585 34.655 -48.831 1.00 88.31 C
|
| 969 |
+
ATOM 969 CB PHE A1097 14.037 32.406 -49.945 1.00 88.31 C
|
| 970 |
+
ATOM 970 O PHE A1097 14.267 34.895 -47.827 1.00 88.31 O
|
| 971 |
+
ATOM 971 CG PHE A1097 15.440 32.269 -49.377 1.00 88.31 C
|
| 972 |
+
ATOM 972 CD1 PHE A1097 16.439 33.191 -49.739 1.00 88.31 C
|
| 973 |
+
ATOM 973 CD2 PHE A1097 15.751 31.220 -48.489 1.00 88.31 C
|
| 974 |
+
ATOM 974 CE1 PHE A1097 17.740 33.068 -49.219 1.00 88.31 C
|
| 975 |
+
ATOM 975 CE2 PHE A1097 17.052 31.095 -47.967 1.00 88.31 C
|
| 976 |
+
ATOM 976 CZ PHE A1097 18.044 32.022 -48.329 1.00 88.31 C
|
| 977 |
+
ATOM 977 N GLU A1098 13.234 35.629 -49.684 1.00 85.55 N
|
| 978 |
+
ATOM 978 CA GLU A1098 13.533 37.040 -49.380 1.00 85.55 C
|
| 979 |
+
ATOM 979 C GLU A1098 12.733 37.518 -48.159 1.00 85.55 C
|
| 980 |
+
ATOM 980 CB GLU A1098 13.359 37.982 -50.592 1.00 85.55 C
|
| 981 |
+
ATOM 981 O GLU A1098 13.324 38.083 -47.234 1.00 85.55 O
|
| 982 |
+
ATOM 982 CG GLU A1098 13.896 39.379 -50.212 1.00 85.55 C
|
| 983 |
+
ATOM 983 CD GLU A1098 14.105 40.376 -51.363 1.00 85.55 C
|
| 984 |
+
ATOM 984 OE1 GLU A1098 15.115 41.125 -51.282 1.00 85.55 O
|
| 985 |
+
ATOM 985 OE2 GLU A1098 13.232 40.497 -52.245 1.00 85.55 O
|
| 986 |
+
ATOM 986 N GLN A1099 11.432 37.208 -48.092 1.00 86.60 N
|
| 987 |
+
ATOM 987 CA GLN A1099 10.590 37.523 -46.929 1.00 86.60 C
|
| 988 |
+
ATOM 988 C GLN A1099 11.153 36.928 -45.628 1.00 86.60 C
|
| 989 |
+
ATOM 989 CB GLN A1099 9.168 36.996 -47.165 1.00 86.60 C
|
| 990 |
+
ATOM 990 O GLN A1099 11.228 37.623 -44.612 1.00 86.60 O
|
| 991 |
+
ATOM 991 CG GLN A1099 8.381 37.815 -48.195 1.00 86.60 C
|
| 992 |
+
ATOM 992 CD GLN A1099 7.049 37.137 -48.493 1.00 86.60 C
|
| 993 |
+
ATOM 993 NE2 GLN A1099 6.913 36.524 -49.645 1.00 86.60 N
|
| 994 |
+
ATOM 994 OE1 GLN A1099 6.149 37.108 -47.667 1.00 86.60 O
|
| 995 |
+
ATOM 995 N LEU A1100 11.623 35.674 -45.657 1.00 87.48 N
|
| 996 |
+
ATOM 996 CA LEU A1100 12.270 35.035 -44.507 1.00 87.48 C
|
| 997 |
+
ATOM 997 C LEU A1100 13.557 35.765 -44.080 1.00 87.48 C
|
| 998 |
+
ATOM 998 CB LEU A1100 12.538 33.560 -44.862 1.00 87.48 C
|
| 999 |
+
ATOM 999 O LEU A1100 13.806 35.933 -42.884 1.00 87.48 O
|
| 1000 |
+
ATOM 1000 CG LEU A1100 13.133 32.724 -43.714 1.00 87.48 C
|
| 1001 |
+
ATOM 1001 CD1 LEU A1100 12.182 32.606 -42.520 1.00 87.48 C
|
| 1002 |
+
ATOM 1002 CD2 LEU A1100 13.447 31.313 -44.211 1.00 87.48 C
|
| 1003 |
+
ATOM 1003 N CYS A1101 14.369 36.239 -45.031 1.00 86.16 N
|
| 1004 |
+
ATOM 1004 CA CYS A1101 15.561 37.034 -44.723 1.00 86.16 C
|
| 1005 |
+
ATOM 1005 C CYS A1101 15.201 38.384 -44.074 1.00 86.16 C
|
| 1006 |
+
ATOM 1006 CB CYS A1101 16.403 37.225 -45.994 1.00 86.16 C
|
| 1007 |
+
ATOM 1007 O CYS A1101 15.885 38.820 -43.141 1.00 86.16 O
|
| 1008 |
+
ATOM 1008 SG CYS A1101 17.130 35.641 -46.512 1.00 86.16 S
|
| 1009 |
+
ATOM 1009 N GLU A1102 14.111 39.025 -44.508 1.00 86.48 N
|
| 1010 |
+
ATOM 1010 CA GLU A1102 13.619 40.279 -43.925 1.00 86.48 C
|
| 1011 |
+
ATOM 1011 C GLU A1102 13.007 40.078 -42.525 1.00 86.48 C
|
| 1012 |
+
ATOM 1012 CB GLU A1102 12.686 41.018 -44.908 1.00 86.48 C
|
| 1013 |
+
ATOM 1013 O GLU A1102 13.370 40.819 -41.606 1.00 86.48 O
|
| 1014 |
+
ATOM 1014 CG GLU A1102 13.486 41.477 -46.142 1.00 86.48 C
|
| 1015 |
+
ATOM 1015 CD GLU A1102 12.776 42.496 -47.045 1.00 86.48 C
|
| 1016 |
+
ATOM 1016 OE1 GLU A1102 13.458 43.444 -47.501 1.00 86.48 O
|
| 1017 |
+
ATOM 1017 OE2 GLU A1102 11.588 42.347 -47.392 1.00 86.48 O
|
| 1018 |
+
ATOM 1018 N GLU A1103 12.200 39.032 -42.289 1.00 88.66 N
|
| 1019 |
+
ATOM 1019 CA GLU A1103 11.689 38.693 -40.945 1.00 88.66 C
|
| 1020 |
+
ATOM 1020 C GLU A1103 12.837 38.374 -39.967 1.00 88.66 C
|
| 1021 |
+
ATOM 1021 CB GLU A1103 10.687 37.515 -40.996 1.00 88.66 C
|
| 1022 |
+
ATOM 1022 O GLU A1103 12.837 38.810 -38.806 1.00 88.66 O
|
| 1023 |
+
ATOM 1023 CG GLU A1103 10.030 37.317 -39.610 1.00 88.66 C
|
| 1024 |
+
ATOM 1024 CD GLU A1103 9.046 36.140 -39.472 1.00 88.66 C
|
| 1025 |
+
ATOM 1025 OE1 GLU A1103 8.327 36.139 -38.441 1.00 88.66 O
|
| 1026 |
+
ATOM 1026 OE2 GLU A1103 9.068 35.212 -40.308 1.00 88.66 O
|
| 1027 |
+
ATOM 1027 N ILE A1104 13.871 37.661 -40.423 1.00 86.51 N
|
| 1028 |
+
ATOM 1028 CA ILE A1104 15.057 37.393 -39.603 1.00 86.51 C
|
| 1029 |
+
ATOM 1029 C ILE A1104 15.821 38.696 -39.314 1.00 86.51 C
|
| 1030 |
+
ATOM 1030 CB ILE A1104 15.924 36.282 -40.228 1.00 86.51 C
|
| 1031 |
+
ATOM 1031 O ILE A1104 16.238 38.919 -38.172 1.00 86.51 O
|
| 1032 |
+
ATOM 1032 CG1 ILE A1104 15.163 34.934 -40.162 1.00 86.51 C
|
| 1033 |
+
ATOM 1033 CG2 ILE A1104 17.252 36.163 -39.460 1.00 86.51 C
|
| 1034 |
+
ATOM 1034 CD1 ILE A1104 15.828 33.810 -40.964 1.00 86.51 C
|
| 1035 |
+
ATOM 1035 N GLN A1105 15.963 39.603 -40.286 1.00 84.95 N
|
| 1036 |
+
ATOM 1036 CA GLN A1105 16.584 40.909 -40.046 1.00 84.95 C
|
| 1037 |
+
ATOM 1037 C GLN A1105 15.775 41.748 -39.036 1.00 84.95 C
|
| 1038 |
+
ATOM 1038 CB GLN A1105 16.781 41.661 -41.373 1.00 84.95 C
|
| 1039 |
+
ATOM 1039 O GLN A1105 16.355 42.333 -38.115 1.00 84.95 O
|
| 1040 |
+
ATOM 1040 CG GLN A1105 17.835 42.765 -41.209 1.00 84.95 C
|
| 1041 |
+
ATOM 1041 CD GLN A1105 17.730 43.839 -42.281 1.00 84.95 C
|
| 1042 |
+
ATOM 1042 NE2 GLN A1105 18.484 43.768 -43.350 1.00 84.95 N
|
| 1043 |
+
ATOM 1043 OE1 GLN A1105 16.997 44.802 -42.126 1.00 84.95 O
|
| 1044 |
+
ATOM 1044 N GLU A1106 14.444 41.776 -39.148 1.00 85.73 N
|
| 1045 |
+
ATOM 1045 CA GLU A1106 13.565 42.438 -38.179 1.00 85.73 C
|
| 1046 |
+
ATOM 1046 C GLU A1106 13.654 41.823 -36.784 1.00 85.73 C
|
| 1047 |
+
ATOM 1047 CB GLU A1106 12.096 42.366 -38.599 1.00 85.73 C
|
| 1048 |
+
ATOM 1048 O GLU A1106 13.761 42.544 -35.792 1.00 85.73 O
|
| 1049 |
+
ATOM 1049 CG GLU A1106 11.697 43.374 -39.685 1.00 85.73 C
|
| 1050 |
+
ATOM 1050 CD GLU A1106 10.242 43.854 -39.528 1.00 85.73 C
|
| 1051 |
+
ATOM 1051 OE1 GLU A1106 9.923 44.882 -40.149 1.00 85.73 O
|
| 1052 |
+
ATOM 1052 OE2 GLU A1106 9.510 43.319 -38.656 1.00 85.73 O
|
| 1053 |
+
ATOM 1053 N SER A1107 13.609 40.498 -36.671 1.00 83.11 N
|
| 1054 |
+
ATOM 1054 CA SER A1107 13.675 39.828 -35.372 1.00 83.11 C
|
| 1055 |
+
ATOM 1055 C SER A1107 15.049 39.998 -34.713 1.00 83.11 C
|
| 1056 |
+
ATOM 1056 CB SER A1107 13.271 38.360 -35.496 1.00 83.11 C
|
| 1057 |
+
ATOM 1057 O SER A1107 15.123 40.058 -33.484 1.00 83.11 O
|
| 1058 |
+
ATOM 1058 OG SER A1107 14.239 37.672 -36.245 1.00 83.11 O
|
| 1059 |
+
ATOM 1059 N ARG A1108 16.135 40.147 -35.487 1.00 82.21 N
|
| 1060 |
+
ATOM 1060 CA ARG A1108 17.465 40.533 -34.976 1.00 82.21 C
|
| 1061 |
+
ATOM 1061 C ARG A1108 17.516 41.989 -34.513 1.00 82.21 C
|
| 1062 |
+
ATOM 1062 CB ARG A1108 18.550 40.233 -36.023 1.00 82.21 C
|
| 1063 |
+
ATOM 1063 O ARG A1108 18.040 42.238 -33.426 1.00 82.21 O
|
| 1064 |
+
ATOM 1064 CG ARG A1108 18.840 38.728 -36.064 1.00 82.21 C
|
| 1065 |
+
ATOM 1065 CD ARG A1108 19.941 38.369 -37.065 1.00 82.21 C
|
| 1066 |
+
ATOM 1066 NE ARG A1108 20.238 36.935 -36.937 1.00 82.21 N
|
| 1067 |
+
ATOM 1067 NH1 ARG A1108 22.292 36.754 -37.955 1.00 82.21 N
|
| 1068 |
+
ATOM 1068 NH2 ARG A1108 21.399 35.027 -36.835 1.00 82.21 N
|
| 1069 |
+
ATOM 1069 CZ ARG A1108 21.317 36.254 -37.250 1.00 82.21 C
|
| 1070 |
+
TER 1070 ARG A1108
|
| 1071 |
+
END
|
6s57/6s57_af2_holo_ligand.sdf
ADDED
|
@@ -0,0 +1,68 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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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 |
+
30 32 0 0 0 0 0 0 0 0999 V2000
|
| 5 |
+
32.3954 50.7996 -62.9852 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 6 |
+
33.7749 50.2244 -63.1711 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 7 |
+
34.2359 49.2493 -62.2877 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 8 |
+
35.4881 48.6734 -62.4040 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 9 |
+
36.3438 49.0639 -63.4247 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 10 |
+
37.6163 48.4413 -63.5038 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 11 |
+
38.5491 48.5434 -64.4808 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 12 |
+
38.4292 49.2363 -65.4870 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 13 |
+
39.8044 47.7239 -64.2389 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 14 |
+
40.8261 47.9216 -65.2548 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 15 |
+
41.8218 48.8906 -65.1925 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 16 |
+
41.9737 49.7021 -64.2884 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 17 |
+
42.5786 48.7676 -66.3101 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 18 |
+
42.1162 47.6932 -67.1925 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 19 |
+
41.6651 48.2502 -68.5450 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 20 |
+
43.1869 46.6109 -67.3515 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 21 |
+
40.9257 47.1678 -66.4027 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 22 |
+
40.1857 46.2528 -66.7149 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 23 |
+
35.9114 50.0278 -64.3291 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 24 |
+
34.6527 50.6021 -64.2038 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 25 |
+
34.1933 51.8297 -65.4028 S 0 0 0 0 0 0 0 0 0 0 0 0
|
| 26 |
+
33.8202 53.0119 -64.6920 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 27 |
+
33.2636 51.2218 -66.3000 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 28 |
+
35.5155 52.2112 -66.2821 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 29 |
+
36.4946 53.1480 -65.6937 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 30 |
+
37.7579 53.3619 -66.5057 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 31 |
+
37.5340 53.8626 -67.9169 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 32 |
+
37.2805 52.7885 -68.9408 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 33 |
+
36.0612 51.9282 -68.6898 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 34 |
+
35.9725 51.2796 -67.3327 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 35 |
+
5 4 2 0
|
| 36 |
+
6 5 1 0
|
| 37 |
+
5 19 1 0
|
| 38 |
+
9 7 1 0
|
| 39 |
+
7 6 1 0
|
| 40 |
+
7 8 2 0
|
| 41 |
+
10 9 1 0
|
| 42 |
+
14 15 1 0
|
| 43 |
+
14 16 1 0
|
| 44 |
+
2 1 1 0
|
| 45 |
+
3 2 2 0
|
| 46 |
+
2 20 1 0
|
| 47 |
+
4 3 1 0
|
| 48 |
+
11 10 1 0
|
| 49 |
+
10 17 1 0
|
| 50 |
+
11 12 2 0
|
| 51 |
+
13 11 1 0
|
| 52 |
+
13 14 1 0
|
| 53 |
+
14 17 1 0
|
| 54 |
+
17 18 2 0
|
| 55 |
+
19 20 2 0
|
| 56 |
+
20 21 1 0
|
| 57 |
+
21 22 2 0
|
| 58 |
+
21 23 2 0
|
| 59 |
+
21 24 1 0
|
| 60 |
+
24 25 1 0
|
| 61 |
+
24 30 1 0
|
| 62 |
+
25 26 1 0
|
| 63 |
+
26 27 1 0
|
| 64 |
+
27 28 1 0
|
| 65 |
+
28 29 1 0
|
| 66 |
+
29 30 1 0
|
| 67 |
+
M END
|
| 68 |
+
$$$$
|
6s57/6s57_af2_holo_protein.pdb
ADDED
|
The diff for this file is too large to render.
See raw diff
|
|
|
6s9w/6s9w_af2_apo_protein.pdb
ADDED
|
The diff for this file is too large to render.
See raw diff
|
|
|
6s9w/6s9w_af2_holo_ligand.sdf
ADDED
|
@@ -0,0 +1,96 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
|
| 2 |
+
RDKit 3D
|
| 3 |
+
|
| 4 |
+
42 47 0 0 0 0 0 0 0 0999 V2000
|
| 5 |
+
-10.7704 8.4063 4.4117 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 6 |
+
-9.5025 7.8688 4.6178 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 7 |
+
-9.2011 6.6540 4.1361 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 8 |
+
-7.9967 6.0813 4.2998 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 9 |
+
-7.8532 4.8116 3.7253 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 10 |
+
-6.8282 4.5213 2.8284 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 11 |
+
-6.7239 3.2481 2.2732 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 12 |
+
-7.6537 2.2609 2.5924 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 13 |
+
-8.6849 2.5541 3.4741 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 14 |
+
-8.7855 3.8246 4.0283 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 15 |
+
-6.9925 6.7728 5.0135 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 16 |
+
-5.7010 6.2848 5.2565 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 17 |
+
-4.5959 7.1004 5.0216 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 18 |
+
-3.3057 6.6278 5.2679 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 19 |
+
-3.1095 5.3412 5.7684 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 20 |
+
-1.8312 4.8376 6.0195 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 21 |
+
-0.9528 5.8363 6.6420 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 22 |
+
-1.2888 5.9635 8.0705 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 23 |
+
-0.3955 6.9904 8.7423 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 24 |
+
1.0603 6.5743 8.5751 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 25 |
+
1.9874 7.5343 9.2337 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 26 |
+
2.0844 8.8585 9.1494 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 27 |
+
1.3686 9.5874 8.4587 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 28 |
+
3.0774 9.2829 9.9313 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 29 |
+
3.6094 8.2038 10.5116 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 30 |
+
4.6197 8.0594 11.3764 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 31 |
+
4.9933 6.8006 11.8517 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 32 |
+
4.3073 5.6824 11.3768 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 33 |
+
4.5023 4.3961 11.7412 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 34 |
+
5.6722 3.6957 11.7868 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 35 |
+
5.6806 2.5081 12.1069 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 36 |
+
7.0170 4.3697 11.4676 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 37 |
+
8.0570 3.8601 12.4750 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 38 |
+
3.2579 5.9139 10.4952 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 39 |
+
2.9372 7.1347 10.0762 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 40 |
+
1.3876 6.4100 7.1010 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 41 |
+
0.4433 5.3901 6.4992 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 42 |
+
-4.2102 4.5344 6.0150 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 43 |
+
-5.4926 5.0080 5.7716 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 44 |
+
-7.2888 8.0453 5.5249 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 45 |
+
-8.5573 8.5965 5.3273 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 46 |
+
-8.8239 9.7108 5.7754 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 47 |
+
41 2 1 0
|
| 48 |
+
40 41 1 0
|
| 49 |
+
41 42 2 0
|
| 50 |
+
2 1 2 0
|
| 51 |
+
3 2 1 0
|
| 52 |
+
11 4 2 0
|
| 53 |
+
4 5 1 0
|
| 54 |
+
4 3 1 0
|
| 55 |
+
12 11 1 0
|
| 56 |
+
11 40 1 0
|
| 57 |
+
5 6 2 0
|
| 58 |
+
5 10 1 0
|
| 59 |
+
13 12 2 0
|
| 60 |
+
39 12 1 0
|
| 61 |
+
6 7 1 0
|
| 62 |
+
7 8 2 0
|
| 63 |
+
9 8 1 0
|
| 64 |
+
10 9 2 0
|
| 65 |
+
14 13 1 0
|
| 66 |
+
15 14 2 0
|
| 67 |
+
15 38 1 0
|
| 68 |
+
16 15 1 0
|
| 69 |
+
38 39 2 0
|
| 70 |
+
17 16 1 0
|
| 71 |
+
19 18 1 0
|
| 72 |
+
18 17 1 0
|
| 73 |
+
20 19 1 0
|
| 74 |
+
20 36 1 0
|
| 75 |
+
21 20 1 0
|
| 76 |
+
36 37 1 0
|
| 77 |
+
37 17 1 0
|
| 78 |
+
21 22 1 0
|
| 79 |
+
22 24 1 0
|
| 80 |
+
22 23 2 0
|
| 81 |
+
35 25 2 0
|
| 82 |
+
26 25 1 0
|
| 83 |
+
25 24 1 0
|
| 84 |
+
34 35 1 0
|
| 85 |
+
35 21 1 0
|
| 86 |
+
27 26 2 0
|
| 87 |
+
28 27 1 0
|
| 88 |
+
28 34 2 0
|
| 89 |
+
29 28 1 0
|
| 90 |
+
30 32 1 0
|
| 91 |
+
30 29 1 0
|
| 92 |
+
30 31 2 0
|
| 93 |
+
32 33 1 0
|
| 94 |
+
M CHG 1 17 1
|
| 95 |
+
M END
|
| 96 |
+
$$$$
|
6s9w/6s9w_af2_holo_protein.pdb
ADDED
|
The diff for this file is too large to render.
See raw diff
|
|
|
6s9x/6s9x_af2_apo_protein.pdb
ADDED
|
The diff for this file is too large to render.
See raw diff
|
|
|
6s9x/6s9x_af2_holo_ligand.sdf
ADDED
|
@@ -0,0 +1,111 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
|
| 2 |
+
RDKit 3D
|
| 3 |
+
|
| 4 |
+
49 55 0 0 0 0 0 0 0 0999 V2000
|
| 5 |
+
8.1184 2.5046 11.7322 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 6 |
+
6.6343 2.2072 12.0669 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 7 |
+
5.8851 3.5405 12.0980 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 8 |
+
5.4546 3.9974 13.1550 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 9 |
+
5.7449 4.1186 10.8956 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 10 |
+
5.1641 5.3149 10.7995 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 11 |
+
5.8033 6.4109 11.3568 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 12 |
+
5.2070 7.6526 11.2322 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 13 |
+
4.0541 7.7840 10.5818 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 14 |
+
3.3310 8.8729 10.3504 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 15 |
+
2.2765 8.4892 9.6531 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 16 |
+
1.4002 9.2694 9.2833 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 17 |
+
2.3103 7.1724 9.4471 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 18 |
+
1.3199 6.3160 8.7083 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 19 |
+
-0.1304 6.7177 8.9936 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 20 |
+
-1.0920 5.8353 8.2152 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 21 |
+
-0.8377 5.9235 6.7727 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 22 |
+
-1.7504 4.9890 6.0966 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 23 |
+
-3.0295 5.4892 5.8210 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 24 |
+
-4.1447 4.7446 6.1865 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 25 |
+
-5.4292 5.2000 5.9184 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 26 |
+
-5.6383 6.4085 5.2578 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 27 |
+
-6.9366 6.8697 4.9722 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 28 |
+
-7.8970 6.0576 4.3324 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 29 |
+
-7.7038 4.7442 3.9029 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 30 |
+
-8.5455 3.7500 4.3861 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 31 |
+
-8.3897 2.4314 3.9719 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 32 |
+
-7.3956 2.1061 3.0586 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 33 |
+
-6.5571 3.1013 2.5670 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 34 |
+
-6.7129 4.4191 2.9806 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 35 |
+
-9.1666 6.5643 4.0771 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 36 |
+
-9.4770 7.8605 4.4470 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 37 |
+
-10.6009 8.3074 4.2166 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 38 |
+
-8.5150 8.6368 5.0747 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 39 |
+
-8.9244 9.9373 5.3996 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 40 |
+
-8.1326 10.6651 6.2848 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 41 |
+
-6.8402 11.0637 5.9662 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 42 |
+
-6.0975 11.8121 6.8746 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 43 |
+
-6.6468 12.1842 8.0954 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 44 |
+
-5.9195 12.9174 8.9808 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 45 |
+
-7.9454 11.8017 8.4087 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 46 |
+
-8.6845 11.0513 7.5000 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 47 |
+
-7.2808 8.1346 5.3138 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 48 |
+
-4.5167 7.1510 4.8855 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 49 |
+
-3.2202 6.6981 5.1583 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 50 |
+
0.5373 5.4564 6.5358 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 51 |
+
1.5554 6.3586 7.2145 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 52 |
+
3.4349 6.7326 10.0253 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 53 |
+
3.9651 5.5085 10.1154 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 54 |
+
34 32 1 0
|
| 55 |
+
34 35 2 0
|
| 56 |
+
43 34 1 0
|
| 57 |
+
31 32 1 0
|
| 58 |
+
32 33 2 0
|
| 59 |
+
23 24 2 0
|
| 60 |
+
24 25 1 0
|
| 61 |
+
24 31 1 0
|
| 62 |
+
22 23 1 0
|
| 63 |
+
23 43 1 0
|
| 64 |
+
25 26 2 0
|
| 65 |
+
25 30 1 0
|
| 66 |
+
21 22 1 0
|
| 67 |
+
44 22 2 0
|
| 68 |
+
26 27 1 0
|
| 69 |
+
27 28 2 0
|
| 70 |
+
29 28 1 0
|
| 71 |
+
30 29 2 0
|
| 72 |
+
20 21 2 0
|
| 73 |
+
19 20 1 0
|
| 74 |
+
19 45 2 0
|
| 75 |
+
18 19 1 0
|
| 76 |
+
45 44 1 0
|
| 77 |
+
17 18 1 0
|
| 78 |
+
15 16 1 0
|
| 79 |
+
16 17 1 0
|
| 80 |
+
14 15 1 0
|
| 81 |
+
14 47 1 0
|
| 82 |
+
13 14 1 0
|
| 83 |
+
47 46 1 0
|
| 84 |
+
46 17 1 0
|
| 85 |
+
13 11 1 0
|
| 86 |
+
11 10 1 0
|
| 87 |
+
11 12 2 0
|
| 88 |
+
48 9 1 0
|
| 89 |
+
8 9 2 0
|
| 90 |
+
9 10 1 0
|
| 91 |
+
49 48 2 0
|
| 92 |
+
48 13 1 0
|
| 93 |
+
7 8 1 0
|
| 94 |
+
6 7 2 0
|
| 95 |
+
6 49 1 0
|
| 96 |
+
5 6 1 0
|
| 97 |
+
3 2 1 0
|
| 98 |
+
3 5 1 0
|
| 99 |
+
3 4 2 0
|
| 100 |
+
2 1 1 0
|
| 101 |
+
35 36 1 0
|
| 102 |
+
36 37 2 0
|
| 103 |
+
36 42 1 0
|
| 104 |
+
37 38 1 0
|
| 105 |
+
38 39 2 0
|
| 106 |
+
39 41 1 0
|
| 107 |
+
39 40 1 0
|
| 108 |
+
41 42 2 0
|
| 109 |
+
M CHG 1 17 1
|
| 110 |
+
M END
|
| 111 |
+
$$$$
|
6s9x/6s9x_af2_holo_protein.pdb
ADDED
|
The diff for this file is too large to render.
See raw diff
|
|
|
6sen/6sen_af2_apo_protein.pdb
ADDED
|
The diff for this file is too large to render.
See raw diff
|
|
|
6sen/6sen_af2_holo_ligand.sdf
ADDED
|
@@ -0,0 +1,288 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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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 |
+
138143 0 0 0 0 0 0 0 0999 V2000
|
| 5 |
+
-10.9913 13.4877 -0.3189 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 6 |
+
-10.8384 14.6169 1.0630 S 0 0 0 0 0 0 0 0 0 0 0 0
|
| 7 |
+
-12.0491 13.9177 2.2176 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 8 |
+
-13.5253 14.1023 1.8718 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 9 |
+
-13.9874 15.5682 1.8810 C 0 0 2 0 0 0 0 0 0 0 0 0
|
| 10 |
+
-13.8745 16.1530 3.2208 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 11 |
+
-14.2653 17.3975 3.5385 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 12 |
+
-14.7595 18.1842 2.7254 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 13 |
+
-14.0179 17.8543 4.9770 C 0 0 2 0 0 0 0 0 0 0 0 0
|
| 14 |
+
-15.3142 17.8835 5.8002 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 15 |
+
-15.7956 19.2938 5.7010 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 16 |
+
-14.5476 20.1280 5.6766 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 17 |
+
-13.5691 19.2613 4.9869 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 18 |
+
-12.4196 19.6036 4.3356 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 19 |
+
-11.7020 18.7561 3.7901 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 20 |
+
-11.9701 21.0865 4.3038 C 0 0 1 0 0 0 0 0 0 0 0 0
|
| 21 |
+
-10.5588 21.2396 4.7043 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 22 |
+
-10.0550 20.8272 5.8687 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 23 |
+
-8.5621 21.0915 6.0678 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 24 |
+
-10.7197 20.2637 6.7523 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 25 |
+
-12.2190 21.7579 2.9165 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 26 |
+
-13.5439 21.3261 2.2855 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 27 |
+
-12.1434 23.2784 3.0190 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 28 |
+
-15.3882 15.7238 1.2600 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 29 |
+
-15.4881 16.0337 0.0771 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 30 |
+
-16.4554 15.5811 2.0877 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 31 |
+
-17.8645 15.6876 1.6890 C 0 0 1 0 0 0 0 0 0 0 0 0
|
| 32 |
+
-18.7830 15.4713 2.8981 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 33 |
+
-18.9758 13.9992 3.2572 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 34 |
+
-20.1294 13.3715 2.4958 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 35 |
+
-20.2525 11.9406 2.7746 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 36 |
+
-21.1057 11.1273 2.1601 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 37 |
+
-21.9162 11.5929 1.2162 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 38 |
+
-21.1481 9.8403 2.4763 N 0 0 0 0 0 4 0 0 0 0 0 0
|
| 39 |
+
-18.2344 16.9901 0.9580 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 40 |
+
-19.1274 16.9693 0.1079 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 41 |
+
-17.5451 18.1042 1.2652 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 42 |
+
-17.8224 19.3997 0.6354 C 0 0 1 0 0 0 0 0 0 0 0 0
|
| 43 |
+
-17.8374 20.5187 1.6921 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 44 |
+
-16.8658 19.7261 -0.5309 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 45 |
+
-16.8904 20.8408 -1.0561 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 46 |
+
-16.0608 18.7558 -0.9642 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 47 |
+
-15.1136 18.9852 -2.0589 C 0 0 1 0 0 0 0 0 0 0 0 0
|
| 48 |
+
-13.7778 18.2463 -1.8259 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 49 |
+
-13.0721 18.7315 -0.5524 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 50 |
+
-11.7313 18.0589 -0.3213 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 51 |
+
-11.1028 18.5302 0.9176 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 52 |
+
-9.8005 18.4704 1.1730 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 53 |
+
-9.3199 18.9424 2.3166 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 54 |
+
-8.9663 17.9615 0.2804 N 0 0 0 0 0 4 0 0 0 0 0 0
|
| 55 |
+
-15.7450 18.6789 -3.4159 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 56 |
+
-16.7795 18.0047 -3.4764 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 57 |
+
-15.1475 19.2172 -4.4932 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 58 |
+
-15.6331 19.0554 -5.8702 C 0 0 1 0 0 0 0 0 0 0 0 0
|
| 59 |
+
-15.0658 20.1611 -6.7925 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 60 |
+
-15.6328 21.5631 -6.5061 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 61 |
+
-15.2437 22.6300 -7.5100 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 62 |
+
-15.9086 23.7576 -7.4396 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 63 |
+
-14.3725 22.4700 -8.3690 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 64 |
+
-15.2615 17.6667 -6.3578 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 65 |
+
-14.2782 17.5147 -7.0728 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 66 |
+
-16.0010 16.6432 -5.9158 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 67 |
+
-15.6357 15.2564 -6.2500 C 0 0 1 0 0 0 0 0 0 0 0 0
|
| 68 |
+
-15.2201 14.4764 -4.9757 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 69 |
+
-13.9790 15.0119 -4.2236 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 70 |
+
-13.9295 14.4691 -2.7907 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 71 |
+
-12.7026 14.7406 -4.9874 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 72 |
+
-16.7553 14.5280 -6.9846 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 73 |
+
-17.8937 14.9623 -6.8924 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 74 |
+
-16.4580 13.4711 -7.7709 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 75 |
+
-15.1517 12.7988 -7.9524 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 76 |
+
-15.3887 11.8728 -9.0925 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 77 |
+
-16.8228 11.5468 -9.1080 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 78 |
+
-17.5471 12.7264 -8.4309 C 0 0 1 0 0 0 0 0 0 0 0 0
|
| 79 |
+
-18.5338 12.1643 -7.3957 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 80 |
+
-18.1266 11.8221 -6.2717 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 81 |
+
-19.7967 11.9701 -7.8173 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 82 |
+
-20.8753 11.3664 -7.0243 C 0 0 1 0 0 0 0 0 0 0 0 0
|
| 83 |
+
-22.1374 11.2601 -7.8625 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 84 |
+
-20.4272 9.9502 -6.6017 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 85 |
+
-20.6370 9.5591 -5.4565 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 86 |
+
-19.7314 9.2271 -7.5069 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 87 |
+
-19.2340 7.8503 -7.2706 C 0 0 1 0 0 0 0 0 0 0 0 0
|
| 88 |
+
-18.5615 7.3153 -8.5268 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 89 |
+
-17.3890 8.0599 -8.7948 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 90 |
+
-18.2763 7.7476 -6.0939 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 91 |
+
-18.1507 6.6583 -5.5031 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 92 |
+
-17.6053 8.8748 -5.7366 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 93 |
+
-16.6629 8.9153 -4.6095 C 0 0 1 0 0 0 0 0 0 0 0 0
|
| 94 |
+
-15.9983 10.2889 -4.5435 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 95 |
+
-14.7074 10.3768 -3.7602 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 96 |
+
-13.4838 10.1521 -4.3807 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 97 |
+
-12.2876 10.3046 -3.6755 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 98 |
+
-12.3107 10.6640 -2.3429 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 99 |
+
-13.5179 10.8598 -1.7022 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 100 |
+
-14.7130 10.7259 -2.4139 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 101 |
+
-17.3316 8.5215 -3.2730 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 102 |
+
-16.6602 8.0104 -2.3767 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 103 |
+
-18.6573 8.7031 -3.1851 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 104 |
+
-19.4529 8.4226 -1.9869 C 0 0 1 0 0 0 0 0 0 0 0 0
|
| 105 |
+
-20.2339 9.6926 -1.5691 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 106 |
+
-19.3454 10.8947 -1.4201 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 107 |
+
-19.2610 11.9641 -2.2685 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 108 |
+
-18.2450 12.8041 -1.8706 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 109 |
+
-17.6157 12.2518 -0.7834 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 110 |
+
-16.5563 12.7302 -0.0108 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 111 |
+
-16.1654 11.9698 1.0760 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 112 |
+
-16.7619 10.7328 1.3591 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 113 |
+
-17.8117 10.2579 0.5910 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 114 |
+
-18.2789 11.0414 -0.4823 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 115 |
+
-20.3893 7.2222 -2.1644 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 116 |
+
-21.2933 7.0084 -1.3417 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 117 |
+
-20.1725 6.4477 -3.2416 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 118 |
+
-21.0050 5.2980 -3.6050 C 0 0 1 0 0 0 0 0 0 0 0 0
|
| 119 |
+
-21.6931 5.5377 -4.9689 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 120 |
+
-22.4647 6.8545 -5.0421 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 121 |
+
-23.0992 7.2337 -6.3707 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 122 |
+
-24.1495 7.9129 -6.3332 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 123 |
+
-22.5395 6.8990 -7.4424 O 0 0 0 0 0 1 0 0 0 0 0 0
|
| 124 |
+
-20.1358 4.0540 -3.6634 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 125 |
+
-19.6226 3.6770 -4.7299 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 126 |
+
-20.0033 3.3902 -2.5215 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 127 |
+
-19.1904 2.1651 -2.5083 C 0 0 1 0 0 0 0 0 0 0 0 0
|
| 128 |
+
-19.2260 1.5166 -1.1266 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 129 |
+
-18.3809 0.2534 -1.0748 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 130 |
+
-18.1872 -0.4070 0.2788 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 131 |
+
-18.8115 0.0324 1.2723 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 132 |
+
-17.3999 -1.3798 0.3390 O 0 0 0 0 0 1 0 0 0 0 0 0
|
| 133 |
+
-19.7811 1.1796 -3.5433 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 134 |
+
-21.0063 0.9619 -3.5269 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 135 |
+
-18.9478 0.5998 -4.4427 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 136 |
+
-17.4910 0.7789 -4.6092 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 137 |
+
-17.2419 0.2659 -6.0021 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 138 |
+
-18.1780 -0.8924 -6.0940 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 139 |
+
-19.4569 -0.4145 -5.3805 C 0 0 1 0 0 0 0 0 0 0 0 0
|
| 140 |
+
-20.1029 -1.5923 -4.6427 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 141 |
+
-21.1639 -2.1661 -5.2308 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 142 |
+
-19.7282 -1.8983 -3.5050 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 143 |
+
18 20 2 0
|
| 144 |
+
18 19 1 0
|
| 145 |
+
18 17 1 0
|
| 146 |
+
16 17 1 6
|
| 147 |
+
16 14 1 0
|
| 148 |
+
16 21 1 0
|
| 149 |
+
14 15 2 0
|
| 150 |
+
14 13 1 0
|
| 151 |
+
21 22 1 0
|
| 152 |
+
21 23 1 0
|
| 153 |
+
13 9 1 0
|
| 154 |
+
13 12 1 0
|
| 155 |
+
9 7 1 6
|
| 156 |
+
9 10 1 0
|
| 157 |
+
7 8 2 0
|
| 158 |
+
7 6 1 0
|
| 159 |
+
10 11 1 0
|
| 160 |
+
11 12 1 0
|
| 161 |
+
6 5 1 0
|
| 162 |
+
5 24 1 0
|
| 163 |
+
5 4 1 1
|
| 164 |
+
24 25 2 0
|
| 165 |
+
24 26 1 0
|
| 166 |
+
4 3 1 0
|
| 167 |
+
3 2 1 0
|
| 168 |
+
2 1 1 0
|
| 169 |
+
26 27 1 0
|
| 170 |
+
27 35 1 0
|
| 171 |
+
27 28 1 1
|
| 172 |
+
35 36 2 0
|
| 173 |
+
35 37 1 0
|
| 174 |
+
28 29 1 0
|
| 175 |
+
29 30 1 0
|
| 176 |
+
30 31 1 0
|
| 177 |
+
31 32 1 0
|
| 178 |
+
32 34 2 0
|
| 179 |
+
32 33 1 0
|
| 180 |
+
37 38 1 0
|
| 181 |
+
38 40 1 0
|
| 182 |
+
38 39 1 1
|
| 183 |
+
40 41 2 0
|
| 184 |
+
40 42 1 0
|
| 185 |
+
42 43 1 0
|
| 186 |
+
43 51 1 0
|
| 187 |
+
43 44 1 1
|
| 188 |
+
51 52 2 0
|
| 189 |
+
51 53 1 0
|
| 190 |
+
44 45 1 0
|
| 191 |
+
45 46 1 0
|
| 192 |
+
46 47 1 0
|
| 193 |
+
47 48 1 0
|
| 194 |
+
48 50 2 0
|
| 195 |
+
48 49 1 0
|
| 196 |
+
53 54 1 0
|
| 197 |
+
54 60 1 0
|
| 198 |
+
54 55 1 6
|
| 199 |
+
60 61 2 0
|
| 200 |
+
60 62 1 0
|
| 201 |
+
55 56 1 0
|
| 202 |
+
56 57 1 0
|
| 203 |
+
57 59 2 0
|
| 204 |
+
57 58 1 0
|
| 205 |
+
62 63 1 0
|
| 206 |
+
63 68 1 0
|
| 207 |
+
63 64 1 1
|
| 208 |
+
68 69 2 0
|
| 209 |
+
68 70 1 0
|
| 210 |
+
64 65 1 0
|
| 211 |
+
65 66 1 0
|
| 212 |
+
65 67 1 0
|
| 213 |
+
70 74 1 0
|
| 214 |
+
70 71 1 0
|
| 215 |
+
74 75 1 1
|
| 216 |
+
74 73 1 0
|
| 217 |
+
75 76 2 0
|
| 218 |
+
75 77 1 0
|
| 219 |
+
73 72 1 0
|
| 220 |
+
72 71 1 0
|
| 221 |
+
77 78 1 0
|
| 222 |
+
78 80 1 0
|
| 223 |
+
78 79 1 6
|
| 224 |
+
80 81 2 0
|
| 225 |
+
80 82 1 0
|
| 226 |
+
82 83 1 0
|
| 227 |
+
83 86 1 0
|
| 228 |
+
83 84 1 6
|
| 229 |
+
86 87 2 0
|
| 230 |
+
86 88 1 0
|
| 231 |
+
84 85 1 0
|
| 232 |
+
88 89 1 0
|
| 233 |
+
89 97 1 0
|
| 234 |
+
89 90 1 1
|
| 235 |
+
97 98 2 0
|
| 236 |
+
97 99 1 0
|
| 237 |
+
90 91 1 0
|
| 238 |
+
91 92 2 0
|
| 239 |
+
91 96 1 0
|
| 240 |
+
92 93 1 0
|
| 241 |
+
96 95 2 0
|
| 242 |
+
93 94 2 0
|
| 243 |
+
95 94 1 0
|
| 244 |
+
99100 1 0
|
| 245 |
+
100111 1 0
|
| 246 |
+
100101 1 6
|
| 247 |
+
111112 2 0
|
| 248 |
+
111113 1 0
|
| 249 |
+
101102 1 0
|
| 250 |
+
102103 2 0
|
| 251 |
+
102110 1 0
|
| 252 |
+
103104 1 0
|
| 253 |
+
110105 2 0
|
| 254 |
+
110109 1 0
|
| 255 |
+
104105 1 0
|
| 256 |
+
105106 1 0
|
| 257 |
+
109108 2 0
|
| 258 |
+
106107 2 0
|
| 259 |
+
108107 1 0
|
| 260 |
+
113114 1 0
|
| 261 |
+
114120 1 0
|
| 262 |
+
114115 1 6
|
| 263 |
+
120121 2 0
|
| 264 |
+
120122 1 0
|
| 265 |
+
115116 1 0
|
| 266 |
+
116117 1 0
|
| 267 |
+
117119 1 0
|
| 268 |
+
117118 2 0
|
| 269 |
+
122123 1 0
|
| 270 |
+
123129 1 0
|
| 271 |
+
123124 1 1
|
| 272 |
+
129130 2 0
|
| 273 |
+
129131 1 0
|
| 274 |
+
124125 1 0
|
| 275 |
+
125126 1 0
|
| 276 |
+
126128 1 0
|
| 277 |
+
126127 2 0
|
| 278 |
+
131135 1 0
|
| 279 |
+
131132 1 0
|
| 280 |
+
135136 1 1
|
| 281 |
+
135134 1 0
|
| 282 |
+
136138 2 0
|
| 283 |
+
136137 1 0
|
| 284 |
+
134133 1 0
|
| 285 |
+
133132 1 0
|
| 286 |
+
M CHG 4 34 1 50 1 119 -1 128 -1
|
| 287 |
+
M END
|
| 288 |
+
$$$$
|
6sen/6sen_af2_holo_protein.pdb
ADDED
|
The diff for this file is too large to render.
See raw diff
|
|
|
6seo/6seo_af2_apo_protein.pdb
ADDED
|
The diff for this file is too large to render.
See raw diff
|
|
|
6seo/6seo_af2_holo_ligand.sdf
ADDED
|
@@ -0,0 +1,279 @@
|
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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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73 74 1 0
|
| 218 |
+
77 78 1 0
|
| 219 |
+
77 76 1 0
|
| 220 |
+
78 79 2 0
|
| 221 |
+
78 80 1 0
|
| 222 |
+
76 75 1 0
|
| 223 |
+
75 74 1 0
|
| 224 |
+
80 81 1 0
|
| 225 |
+
81 84 1 0
|
| 226 |
+
81 82 1 0
|
| 227 |
+
84 85 2 0
|
| 228 |
+
84 86 1 0
|
| 229 |
+
82 83 1 0
|
| 230 |
+
86 87 1 0
|
| 231 |
+
87 95 1 0
|
| 232 |
+
87 88 1 0
|
| 233 |
+
95 96 2 0
|
| 234 |
+
95 97 1 0
|
| 235 |
+
88 89 1 0
|
| 236 |
+
89 90 2 0
|
| 237 |
+
89 94 1 0
|
| 238 |
+
90 91 1 0
|
| 239 |
+
94 93 2 0
|
| 240 |
+
91 92 2 0
|
| 241 |
+
93 92 1 0
|
| 242 |
+
97 98 1 0
|
| 243 |
+
98106 1 0
|
| 244 |
+
98 99 1 0
|
| 245 |
+
106107 2 0
|
| 246 |
+
106108 1 0
|
| 247 |
+
99100 1 0
|
| 248 |
+
100101 2 0
|
| 249 |
+
100105 1 0
|
| 250 |
+
101102 1 0
|
| 251 |
+
105104 2 0
|
| 252 |
+
102103 2 0
|
| 253 |
+
104103 1 0
|
| 254 |
+
108109 1 0
|
| 255 |
+
109110 1 0
|
| 256 |
+
109129 1 0
|
| 257 |
+
110111 2 0
|
| 258 |
+
110112 1 0
|
| 259 |
+
129131 1 0
|
| 260 |
+
129130 1 0
|
| 261 |
+
112113 1 0
|
| 262 |
+
113119 1 0
|
| 263 |
+
113114 1 0
|
| 264 |
+
119120 2 0
|
| 265 |
+
119121 1 0
|
| 266 |
+
114115 1 0
|
| 267 |
+
115116 1 0
|
| 268 |
+
116117 2 0
|
| 269 |
+
116118 1 0
|
| 270 |
+
121125 1 0
|
| 271 |
+
121122 1 0
|
| 272 |
+
125126 1 0
|
| 273 |
+
125124 1 0
|
| 274 |
+
126128 2 0
|
| 275 |
+
126127 1 0
|
| 276 |
+
124123 1 0
|
| 277 |
+
123122 1 0
|
| 278 |
+
M END
|
| 279 |
+
$$$$
|
6seo/6seo_af2_holo_protein.pdb
ADDED
|
The diff for this file is too large to render.
See raw diff
|
|
|
6sfc/6sfc_af2_apo_protein.pdb
ADDED
|
The diff for this file is too large to render.
See raw diff
|
|
|
6sfc/6sfc_af2_holo_ligand.sdf
ADDED
|
@@ -0,0 +1,55 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
|
| 2 |
+
RDKit 3D
|
| 3 |
+
|
| 4 |
+
23 26 0 0 0 0 0 0 0 0999 V2000
|
| 5 |
+
-6.9451 16.6817 1.0360 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 6 |
+
-7.0460 15.2229 1.3372 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 7 |
+
-6.2495 14.4489 0.5578 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 8 |
+
-6.3883 13.1988 0.8584 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 9 |
+
-6.2254 12.2375 -0.0545 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 10 |
+
-5.8081 10.8668 0.1577 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 11 |
+
-6.8494 10.1044 -0.5981 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 12 |
+
-7.1977 10.4081 -1.9156 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 13 |
+
-8.4031 9.9694 -2.4482 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 14 |
+
-9.3210 9.3077 -1.6459 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 15 |
+
-9.0126 9.1456 -0.3059 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 16 |
+
-7.8581 9.6482 0.2417 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 17 |
+
-7.7676 9.3124 1.5782 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 18 |
+
-9.0135 8.6825 1.8920 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 19 |
+
-9.7762 8.5633 0.6851 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 20 |
+
-7.1543 12.9102 2.3969 S 0 0 0 0 0 0 0 0 0 0 0 0
|
| 21 |
+
-7.4852 14.6196 2.4948 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 22 |
+
-7.7765 15.5227 3.4771 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 23 |
+
-7.8802 16.9501 3.2730 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 24 |
+
-8.4821 17.4274 4.3852 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 25 |
+
-8.7302 16.3604 5.1732 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 26 |
+
-9.3388 16.3624 6.4937 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 27 |
+
-8.4693 15.1781 4.5698 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 28 |
+
2 17 2 0
|
| 29 |
+
3 2 1 0
|
| 30 |
+
2 1 1 0
|
| 31 |
+
4 16 1 0
|
| 32 |
+
4 3 2 0
|
| 33 |
+
5 4 1 0
|
| 34 |
+
6 5 1 0
|
| 35 |
+
7 6 1 0
|
| 36 |
+
11 10 1 0
|
| 37 |
+
10 9 2 0
|
| 38 |
+
12 11 2 0
|
| 39 |
+
11 15 1 0
|
| 40 |
+
15 14 1 0
|
| 41 |
+
14 13 1 0
|
| 42 |
+
7 12 1 0
|
| 43 |
+
12 13 1 0
|
| 44 |
+
17 18 1 0
|
| 45 |
+
16 17 1 0
|
| 46 |
+
18 19 1 0
|
| 47 |
+
18 23 2 0
|
| 48 |
+
19 20 2 0
|
| 49 |
+
20 21 1 0
|
| 50 |
+
21 22 1 0
|
| 51 |
+
23 21 1 0
|
| 52 |
+
7 8 2 0
|
| 53 |
+
8 9 1 0
|
| 54 |
+
M END
|
| 55 |
+
$$$$
|
6sfc/6sfc_af2_holo_protein.pdb
ADDED
|
The diff for this file is too large to render.
See raw diff
|
|
|
6st3/6st3_af2_apo_protein.pdb
ADDED
|
The diff for this file is too large to render.
See raw diff
|
|
|
6st3/6st3_af2_holo_ligand.sdf
ADDED
|
@@ -0,0 +1,67 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
|
| 2 |
+
RDKit 3D
|
| 3 |
+
|
| 4 |
+
29 32 0 0 0 0 0 0 0 0999 V2000
|
| 5 |
+
-13.6070 -1.9191 -7.9830 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 6 |
+
-12.5865 -2.0810 -8.5557 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 7 |
+
-12.2913 -3.3771 -9.0921 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 8 |
+
-13.2754 -4.4299 -8.9295 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 9 |
+
-13.1927 -5.1541 -7.6036 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 10 |
+
-14.0014 -6.2596 -7.4210 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 11 |
+
-13.9492 -6.9439 -6.2234 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 12 |
+
-13.1047 -6.5136 -5.2173 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 13 |
+
-13.0175 -7.1918 -3.9988 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 14 |
+
-14.2173 -7.7922 -3.5844 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 15 |
+
-14.2148 -9.1415 -3.3075 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 16 |
+
-15.3733 -9.7607 -2.8834 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 17 |
+
-16.5361 -9.0254 -2.7349 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 18 |
+
-16.5422 -7.6686 -3.0095 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 19 |
+
-15.3757 -7.0484 -3.4305 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 20 |
+
-12.2963 -5.4077 -5.4109 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 21 |
+
-12.3393 -4.7179 -6.6116 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 22 |
+
-11.6180 -0.9219 -8.7591 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 23 |
+
-11.8325 0.3088 -8.1667 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 24 |
+
-10.9899 1.2972 -8.3900 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 25 |
+
-9.9613 1.1460 -9.1874 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 26 |
+
-9.0747 2.2715 -9.3993 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 27 |
+
-8.0768 2.2892 -10.2496 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 28 |
+
-7.4943 3.5254 -10.1490 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 29 |
+
-8.1937 4.2540 -9.1906 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 30 |
+
-9.1741 3.4710 -8.7324 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 31 |
+
-9.7104 -0.0011 -9.7940 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 32 |
+
-10.5230 -1.0310 -9.6086 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 33 |
+
-10.2678 -2.2427 -10.2415 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 34 |
+
2 18 1 0
|
| 35 |
+
3 2 1 0
|
| 36 |
+
2 1 2 0
|
| 37 |
+
18 19 2 0
|
| 38 |
+
18 28 1 0
|
| 39 |
+
19 20 1 0
|
| 40 |
+
20 21 2 0
|
| 41 |
+
21 22 1 0
|
| 42 |
+
27 21 1 0
|
| 43 |
+
24 25 1 0
|
| 44 |
+
25 26 2 0
|
| 45 |
+
23 24 2 0
|
| 46 |
+
22 23 1 0
|
| 47 |
+
28 27 1 0
|
| 48 |
+
28 29 2 0
|
| 49 |
+
5 4 1 0
|
| 50 |
+
4 3 1 0
|
| 51 |
+
6 5 2 0
|
| 52 |
+
17 5 1 0
|
| 53 |
+
7 6 1 0
|
| 54 |
+
8 7 2 0
|
| 55 |
+
16 17 2 0
|
| 56 |
+
8 16 1 0
|
| 57 |
+
9 8 1 0
|
| 58 |
+
10 11 2 0
|
| 59 |
+
10 15 1 0
|
| 60 |
+
10 9 1 0
|
| 61 |
+
11 12 1 0
|
| 62 |
+
12 13 2 0
|
| 63 |
+
13 14 1 0
|
| 64 |
+
14 15 2 0
|
| 65 |
+
22 26 1 0
|
| 66 |
+
M END
|
| 67 |
+
$$$$
|
6st3/6st3_af2_holo_protein.pdb
ADDED
|
The diff for this file is too large to render.
See raw diff
|
|
|
6t6a/6t6a_af2_apo_protein.pdb
ADDED
|
The diff for this file is too large to render.
See raw diff
|
|
|
6t6a/6t6a_af2_holo_ligand.sdf
ADDED
|
@@ -0,0 +1,40 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
|
| 2 |
+
RDKit 3D
|
| 3 |
+
|
| 4 |
+
16 18 0 0 0 0 0 0 0 0999 V2000
|
| 5 |
+
-11.7530 1.9791 8.2157 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 6 |
+
-11.7665 0.7636 7.8690 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 7 |
+
-10.6236 0.0375 7.9807 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 8 |
+
-10.3612 -1.2606 7.6982 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 9 |
+
-11.0883 -2.3092 7.2173 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 10 |
+
-12.3574 -2.3797 6.8513 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 11 |
+
-13.2331 -1.2065 6.9250 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 12 |
+
-14.5003 -1.3658 6.5275 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 13 |
+
-15.0940 -0.1532 6.6865 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 14 |
+
-16.3919 0.2717 6.4418 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 15 |
+
-17.6283 -0.8715 5.7897 Cl 0 0 0 0 0 0 0 0 0 0 0 0
|
| 16 |
+
-16.7506 1.5837 6.7056 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 17 |
+
-15.8171 2.4763 7.2132 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 18 |
+
-14.5225 2.0672 7.4618 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 19 |
+
-14.1752 0.7718 7.1881 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 20 |
+
-12.9942 0.0971 7.3366 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 21 |
+
16 2 1 0
|
| 22 |
+
16 15 1 0
|
| 23 |
+
16 7 2 0
|
| 24 |
+
2 3 1 0
|
| 25 |
+
2 1 2 0
|
| 26 |
+
3 4 2 0
|
| 27 |
+
15 14 2 0
|
| 28 |
+
15 9 1 0
|
| 29 |
+
14 13 1 0
|
| 30 |
+
13 12 2 0
|
| 31 |
+
12 10 1 0
|
| 32 |
+
10 9 2 0
|
| 33 |
+
10 11 1 0
|
| 34 |
+
9 8 1 0
|
| 35 |
+
4 5 1 0
|
| 36 |
+
5 6 2 0
|
| 37 |
+
6 7 1 0
|
| 38 |
+
7 8 1 0
|
| 39 |
+
M END
|
| 40 |
+
$$$$
|
6t6a/6t6a_af2_holo_protein.pdb
ADDED
|
The diff for this file is too large to render.
See raw diff
|
|
|
6te6/6te6_af2_apo_protein.pdb
ADDED
|
The diff for this file is too large to render.
See raw diff
|
|
|
6te6/6te6_af2_holo_ligand.sdf
ADDED
|
@@ -0,0 +1,73 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
|
| 2 |
+
RDKit 3D
|
| 3 |
+
|
| 4 |
+
32 35 0 0 0 0 0 0 0 0999 V2000
|
| 5 |
+
8.7845 -4.3124 -9.0132 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 6 |
+
7.8853 -5.4750 -7.9648 S 0 0 0 0 0 0 0 0 0 0 0 0
|
| 7 |
+
8.0218 -6.8262 -8.4958 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 8 |
+
8.1755 -5.2100 -6.5771 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 9 |
+
6.2065 -5.0182 -8.2433 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 10 |
+
5.6634 -3.9750 -7.4791 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 11 |
+
4.3614 -3.5615 -7.7335 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 12 |
+
3.5758 -4.2246 -8.6941 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 13 |
+
2.2815 -3.8902 -8.8601 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 14 |
+
1.6208 -2.8577 -8.0756 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 15 |
+
2.0373 -1.4520 -8.5491 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 16 |
+
2.1172 -1.1266 -9.9157 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 17 |
+
2.4409 0.1933 -10.3270 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 18 |
+
2.6568 1.1910 -9.3608 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 19 |
+
2.5204 0.8730 -7.9893 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 20 |
+
2.7833 2.0759 -6.7297 Cl 0 0 0 0 0 0 0 0 0 0 0 0
|
| 21 |
+
2.2253 -0.4419 -7.5917 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 22 |
+
0.0979 -2.9310 -8.2033 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 23 |
+
-0.7725 -2.3954 -7.2393 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 24 |
+
-2.1580 -2.4845 -7.4649 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 25 |
+
-2.6514 -3.1206 -8.6165 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 26 |
+
-1.7385 -3.6439 -9.5439 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 27 |
+
-0.4084 -3.5305 -9.3084 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 28 |
+
4.1113 -5.2778 -9.4554 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 29 |
+
3.3292 -5.8296 -10.4431 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 30 |
+
3.2677 -7.1030 -10.9334 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 31 |
+
2.4127 -7.3291 -11.9710 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 32 |
+
2.2769 -8.5620 -12.5425 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 33 |
+
3.0523 -9.6357 -12.0606 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 34 |
+
3.9379 -9.3802 -10.9899 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 35 |
+
4.0302 -8.1279 -10.4610 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 36 |
+
5.4517 -5.6560 -9.2318 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 37 |
+
8 7 2 0
|
| 38 |
+
24 8 1 0
|
| 39 |
+
8 9 1 0
|
| 40 |
+
7 6 1 0
|
| 41 |
+
5 6 2 0
|
| 42 |
+
2 1 1 0
|
| 43 |
+
10 18 1 0
|
| 44 |
+
10 11 1 0
|
| 45 |
+
9 10 1 0
|
| 46 |
+
18 19 2 0
|
| 47 |
+
18 23 1 0
|
| 48 |
+
22 21 1 0
|
| 49 |
+
23 22 2 0
|
| 50 |
+
20 21 2 0
|
| 51 |
+
19 20 1 0
|
| 52 |
+
11 12 2 0
|
| 53 |
+
11 17 1 0
|
| 54 |
+
12 13 1 0
|
| 55 |
+
13 14 2 0
|
| 56 |
+
15 14 1 0
|
| 57 |
+
17 15 2 0
|
| 58 |
+
15 16 1 0
|
| 59 |
+
25 26 1 0
|
| 60 |
+
26 27 2 0
|
| 61 |
+
26 31 1 0
|
| 62 |
+
28 29 2 0
|
| 63 |
+
27 28 1 0
|
| 64 |
+
29 30 1 0
|
| 65 |
+
32 5 1 0
|
| 66 |
+
5 2 1 0
|
| 67 |
+
24 32 2 0
|
| 68 |
+
24 25 1 0
|
| 69 |
+
2 3 2 0
|
| 70 |
+
2 4 2 0
|
| 71 |
+
30 31 2 0
|
| 72 |
+
M END
|
| 73 |
+
$$$$
|
6te6/6te6_af2_holo_protein.pdb
ADDED
|
The diff for this file is too large to render.
See raw diff
|
|
|
6tel/6tel_af2_apo_protein.pdb
ADDED
|
The diff for this file is too large to render.
See raw diff
|
|
|
6tel/6tel_af2_holo_ligand.sdf
ADDED
|
@@ -0,0 +1,102 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
|
| 2 |
+
RDKit 3D
|
| 3 |
+
|
| 4 |
+
45 50 0 0 0 0 0 0 0 0999 V2000
|
| 5 |
+
6.4455 -9.4948 -9.0183 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 6 |
+
5.4432 -9.9921 -9.9367 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 7 |
+
4.6897 -9.0705 -10.6854 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 8 |
+
4.6141 -7.7714 -10.3500 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 9 |
+
3.8639 -6.8975 -11.0626 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 10 |
+
3.8197 -5.5758 -10.7439 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 11 |
+
4.5170 -4.9970 -9.7157 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 12 |
+
5.8593 -5.3507 -9.4416 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 13 |
+
6.5472 -4.7056 -8.4053 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 14 |
+
8.2140 -5.1823 -8.0180 S 0 0 0 0 0 0 0 0 0 0 0 0
|
| 15 |
+
9.1578 -4.0385 -9.0623 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 16 |
+
8.4289 -6.5231 -8.4661 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 17 |
+
8.3947 -4.8629 -6.6259 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 18 |
+
5.9115 -3.7030 -7.6556 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 19 |
+
4.6117 -3.2973 -7.9624 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 20 |
+
3.9011 -3.9819 -8.9676 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 21 |
+
2.6173 -3.7082 -9.2436 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 22 |
+
1.8672 -2.6612 -8.5771 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 23 |
+
2.1608 -1.2404 -9.1117 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 24 |
+
2.2545 -0.9002 -10.4750 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 25 |
+
2.4823 0.4262 -10.9205 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 26 |
+
2.7342 1.4553 -10.0021 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 27 |
+
2.7192 1.0909 -8.6408 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 28 |
+
2.4230 -0.1865 -8.2222 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 29 |
+
2.4808 -0.3014 -6.8510 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 30 |
+
2.5965 1.0904 -6.4665 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 31 |
+
1.5464 1.4835 -5.7506 F 0 0 0 0 0 0 0 0 0 0 0 0
|
| 32 |
+
3.6168 1.1858 -5.5959 F 0 0 0 0 0 0 0 0 0 0 0 0
|
| 33 |
+
2.8558 1.9834 -7.5885 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 34 |
+
0.3668 -2.8969 -8.7947 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 35 |
+
-0.0605 -3.3200 -10.0146 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 36 |
+
-1.3782 -3.4560 -10.3015 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 37 |
+
-2.3652 -3.1810 -9.3285 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 38 |
+
-1.9652 -2.7693 -8.0454 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 39 |
+
-0.5987 -2.6007 -7.7915 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 40 |
+
-0.1028 -2.0517 -6.2140 Cl 0 0 0 0 0 0 0 0 0 0 0 0
|
| 41 |
+
3.1428 -7.3505 -12.1068 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 42 |
+
3.1812 -8.6463 -12.4895 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 43 |
+
2.4082 -9.0847 -13.5361 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 44 |
+
1.6141 -8.1896 -14.3927 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 45 |
+
0.1137 -8.4932 -14.0575 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 46 |
+
-0.2470 -9.9515 -14.0597 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 47 |
+
0.7509 -10.9292 -13.5162 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 48 |
+
2.2314 -10.5332 -13.8211 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 49 |
+
3.9415 -9.4961 -11.7316 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 50 |
+
16 15 1 0
|
| 51 |
+
7 16 2 0
|
| 52 |
+
16 17 1 0
|
| 53 |
+
15 14 2 0
|
| 54 |
+
9 14 1 0
|
| 55 |
+
40 41 1 0
|
| 56 |
+
39 40 1 0
|
| 57 |
+
41 42 1 0
|
| 58 |
+
44 43 1 0
|
| 59 |
+
43 42 1 0
|
| 60 |
+
39 44 1 0
|
| 61 |
+
10 11 1 0
|
| 62 |
+
18 19 1 0
|
| 63 |
+
18 30 1 0
|
| 64 |
+
17 18 1 0
|
| 65 |
+
19 24 1 0
|
| 66 |
+
19 20 2 0
|
| 67 |
+
24 23 2 0
|
| 68 |
+
24 25 1 0
|
| 69 |
+
23 22 1 0
|
| 70 |
+
23 29 1 0
|
| 71 |
+
21 22 2 0
|
| 72 |
+
20 21 1 0
|
| 73 |
+
30 35 1 0
|
| 74 |
+
30 31 2 0
|
| 75 |
+
35 34 2 0
|
| 76 |
+
35 36 1 0
|
| 77 |
+
34 33 1 0
|
| 78 |
+
32 33 2 0
|
| 79 |
+
31 32 1 0
|
| 80 |
+
25 26 1 0
|
| 81 |
+
26 29 1 0
|
| 82 |
+
26 27 1 0
|
| 83 |
+
26 28 1 0
|
| 84 |
+
8 9 2 0
|
| 85 |
+
9 10 1 0
|
| 86 |
+
7 8 1 0
|
| 87 |
+
6 7 1 0
|
| 88 |
+
5 6 1 0
|
| 89 |
+
10 12 2 0
|
| 90 |
+
10 13 2 0
|
| 91 |
+
37 5 1 0
|
| 92 |
+
5 4 2 0
|
| 93 |
+
38 37 2 0
|
| 94 |
+
38 45 1 0
|
| 95 |
+
38 39 1 0
|
| 96 |
+
45 3 2 0
|
| 97 |
+
3 4 1 0
|
| 98 |
+
3 2 1 0
|
| 99 |
+
2 1 1 0
|
| 100 |
+
M CHG 1 42 1
|
| 101 |
+
M END
|
| 102 |
+
$$$$
|
6tel/6tel_af2_holo_protein.pdb
ADDED
|
The diff for this file is too large to render.
See raw diff
|
|
|