Add batch 2
Browse files- 6a6k/6a6k_af2_apo_protein.pdb +0 -0
- 6a6k/6a6k_af2_holo_ligand.sdf +78 -0
- 6a6k/6a6k_af2_holo_protein.pdb +0 -0
- 6a73/6a73_af2_apo_protein.pdb +1087 -0
- 6a73/6a73_af2_holo_ligand.sdf +78 -0
- 6a73/6a73_af2_holo_protein.pdb +0 -0
- 6agt/6agt_af2_apo_protein.pdb +0 -0
- 6agt/6agt_af2_holo_ligand.sdf +50 -0
- 6agt/6agt_af2_holo_protein.pdb +0 -0
- 6ahs/6ahs_af2_apo_protein.pdb +0 -0
- 6ahs/6ahs_af2_holo_ligand.sdf +61 -0
- 6ahs/6ahs_af2_holo_protein.pdb +0 -0
- 6bqd/6bqd_af2_apo_protein.pdb +1054 -0
- 6bqd/6bqd_af2_holo_ligand.sdf +58 -0
- 6bqd/6bqd_af2_holo_protein.pdb +0 -0
- 6c85/6c85_af2_apo_protein.pdb +0 -0
- 6c85/6c85_af2_holo_ligand.sdf +22 -0
- 6c85/6c85_af2_holo_protein.pdb +0 -0
- 6cf7/6cf7_af2_apo_protein.pdb +0 -0
- 6cf7/6cf7_af2_holo_ligand.sdf +92 -0
- 6cf7/6cf7_af2_holo_protein.pdb +0 -0
- 6cjj/6cjj_af2_apo_protein.pdb +0 -0
- 6cjj/6cjj_af2_holo_ligand.sdf +62 -0
- 6cjj/6cjj_af2_holo_protein.pdb +0 -0
- 6cjp/6cjp_af2_apo_protein.pdb +0 -0
- 6cjp/6cjp_af2_holo_ligand.sdf +77 -0
- 6cjp/6cjp_af2_holo_protein.pdb +0 -0
- 6cjr/6cjr_af2_apo_protein.pdb +0 -0
- 6cjr/6cjr_af2_holo_ligand.sdf +75 -0
- 6cjr/6cjr_af2_holo_protein.pdb +0 -0
- 6cjs/6cjs_af2_apo_protein.pdb +0 -0
- 6cjs/6cjs_af2_holo_ligand.sdf +78 -0
- 6cjs/6cjs_af2_holo_protein.pdb +0 -0
6a6k/6a6k_af2_apo_protein.pdb
ADDED
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The diff for this file is too large to render.
See raw diff
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6a6k/6a6k_af2_holo_ligand.sdf
ADDED
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@@ -0,0 +1,78 @@
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| 1 |
+
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| 2 |
+
RDKit 3D
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| 3 |
+
|
| 4 |
+
34 37 0 0 0 0 0 0 0 0999 V2000
|
| 5 |
+
-24.5473 2.1109 2.1804 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 6 |
+
-24.4852 1.0346 3.3113 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 7 |
+
-25.8080 1.1046 4.1226 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 8 |
+
-23.3932 1.2091 4.0685 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 9 |
+
-22.2237 1.0488 3.3324 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 10 |
+
-20.9101 0.8659 4.0886 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 11 |
+
-20.9890 0.0859 5.3030 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 12 |
+
-19.7190 -0.2369 6.0366 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 13 |
+
-18.5278 -0.3162 5.3055 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 14 |
+
-17.3248 -0.6222 5.9556 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 15 |
+
-17.3429 -0.8517 7.3279 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 16 |
+
-15.9981 -1.1325 7.9932 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 17 |
+
-15.7940 -2.1844 8.8187 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 18 |
+
-14.3375 -2.3341 9.4021 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 19 |
+
-14.0116 -3.5621 10.2605 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 20 |
+
-12.4916 -3.8039 10.1100 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 21 |
+
-11.9471 -4.0200 11.3912 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 22 |
+
-16.9100 -3.2390 9.1548 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 23 |
+
-17.6374 -3.1954 10.4048 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 24 |
+
-18.6759 -4.1509 10.7435 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 25 |
+
-18.8703 -5.0881 9.7475 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 26 |
+
-18.2781 -5.2941 8.5102 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 27 |
+
-17.2520 -4.3046 8.2351 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 28 |
+
-14.8691 -0.0536 7.6354 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 29 |
+
-13.6394 -0.4352 7.0870 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 30 |
+
-12.6404 0.5026 6.7598 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 31 |
+
-12.8774 1.8431 6.9718 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 32 |
+
-14.0982 2.2483 7.5056 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 33 |
+
-14.2822 3.6232 7.6893 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 34 |
+
-15.0997 1.3181 7.8328 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 35 |
+
-18.5417 -0.7695 8.0622 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 36 |
+
-19.7449 -0.4540 7.4209 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 37 |
+
-22.1241 0.5444 6.0669 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 38 |
+
-23.4381 0.5480 5.2844 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 39 |
+
10 11 1 0
|
| 40 |
+
9 10 2 0
|
| 41 |
+
31 11 2 0
|
| 42 |
+
11 12 1 0
|
| 43 |
+
32 31 1 0
|
| 44 |
+
24 30 1 0
|
| 45 |
+
24 25 2 0
|
| 46 |
+
12 24 1 0
|
| 47 |
+
30 28 2 0
|
| 48 |
+
25 26 1 0
|
| 49 |
+
13 14 1 0
|
| 50 |
+
13 18 1 0
|
| 51 |
+
12 13 2 0
|
| 52 |
+
14 15 1 0
|
| 53 |
+
15 16 1 0
|
| 54 |
+
16 17 1 0
|
| 55 |
+
18 19 2 0
|
| 56 |
+
18 23 1 0
|
| 57 |
+
19 20 1 0
|
| 58 |
+
20 21 2 0
|
| 59 |
+
22 21 1 0
|
| 60 |
+
23 22 2 0
|
| 61 |
+
2 1 1 0
|
| 62 |
+
2 3 1 0
|
| 63 |
+
4 2 1 0
|
| 64 |
+
6 5 1 0
|
| 65 |
+
5 4 1 0
|
| 66 |
+
7 6 1 0
|
| 67 |
+
33 34 1 0
|
| 68 |
+
7 33 1 0
|
| 69 |
+
34 4 1 0
|
| 70 |
+
8 9 1 0
|
| 71 |
+
8 32 2 0
|
| 72 |
+
8 7 1 0
|
| 73 |
+
28 27 1 0
|
| 74 |
+
28 29 1 0
|
| 75 |
+
27 26 2 0
|
| 76 |
+
M CHG 1 4 1
|
| 77 |
+
M END
|
| 78 |
+
$$$$
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6a6k/6a6k_af2_holo_protein.pdb
ADDED
|
The diff for this file is too large to render.
See raw diff
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6a73/6a73_af2_apo_protein.pdb
ADDED
|
@@ -0,0 +1,1087 @@
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|
| 1 |
+
ATOM 1 N GLU A 33 30.645 5.607 -44.977 1.00 76.47 N
|
| 2 |
+
ATOM 2 CA GLU A 33 29.532 4.659 -45.011 1.00 76.47 C
|
| 3 |
+
ATOM 3 C GLU A 33 30.020 3.222 -45.251 1.00 76.47 C
|
| 4 |
+
ATOM 4 CB GLU A 33 28.551 5.117 -46.097 1.00 76.47 C
|
| 5 |
+
ATOM 5 O GLU A 33 29.718 2.312 -44.470 1.00 76.47 O
|
| 6 |
+
ATOM 6 CG GLU A 33 27.364 4.158 -46.204 1.00 76.47 C
|
| 7 |
+
ATOM 7 CD GLU A 33 26.192 4.718 -47.018 1.00 76.47 C
|
| 8 |
+
ATOM 8 OE1 GLU A 33 25.077 4.183 -46.822 1.00 76.47 O
|
| 9 |
+
ATOM 9 OE2 GLU A 33 26.414 5.654 -47.818 1.00 76.47 O
|
| 10 |
+
ATOM 10 N ASN A 34 30.858 3.023 -46.273 1.00 81.71 N
|
| 11 |
+
ATOM 11 CA ASN A 34 31.455 1.722 -46.573 1.00 81.71 C
|
| 12 |
+
ATOM 12 C ASN A 34 32.279 1.200 -45.390 1.00 81.71 C
|
| 13 |
+
ATOM 13 CB ASN A 34 32.334 1.856 -47.827 1.00 81.71 C
|
| 14 |
+
ATOM 14 O ASN A 34 32.164 0.032 -45.008 1.00 81.71 O
|
| 15 |
+
ATOM 15 CG ASN A 34 31.532 1.940 -49.111 1.00 81.71 C
|
| 16 |
+
ATOM 16 ND2 ASN A 34 32.095 2.520 -50.141 1.00 81.71 N
|
| 17 |
+
ATOM 17 OD1 ASN A 34 30.433 1.433 -49.235 1.00 81.71 O
|
| 18 |
+
ATOM 18 N GLN A 35 33.088 2.062 -44.769 1.00 80.03 N
|
| 19 |
+
ATOM 19 CA GLN A 35 33.889 1.681 -43.608 1.00 80.03 C
|
| 20 |
+
ATOM 20 C GLN A 35 33.010 1.318 -42.398 1.00 80.03 C
|
| 21 |
+
ATOM 21 CB GLN A 35 34.886 2.810 -43.299 1.00 80.03 C
|
| 22 |
+
ATOM 22 O GLN A 35 33.342 0.382 -41.661 1.00 80.03 O
|
| 23 |
+
ATOM 23 CG GLN A 35 35.901 2.436 -42.207 1.00 80.03 C
|
| 24 |
+
ATOM 24 CD GLN A 35 36.802 1.257 -42.551 1.00 80.03 C
|
| 25 |
+
ATOM 25 NE2 GLN A 35 37.306 0.563 -41.552 1.00 80.03 N
|
| 26 |
+
ATOM 26 OE1 GLN A 35 37.062 0.903 -43.688 1.00 80.03 O
|
| 27 |
+
ATOM 27 N TYR A 36 31.881 2.003 -42.198 1.00 81.51 N
|
| 28 |
+
ATOM 28 CA TYR A 36 30.921 1.697 -41.138 1.00 81.51 C
|
| 29 |
+
ATOM 29 C TYR A 36 30.263 0.325 -41.326 1.00 81.51 C
|
| 30 |
+
ATOM 30 CB TYR A 36 29.859 2.801 -41.055 1.00 81.51 C
|
| 31 |
+
ATOM 31 O TYR A 36 30.285 -0.489 -40.398 1.00 81.51 O
|
| 32 |
+
ATOM 32 CG TYR A 36 28.814 2.523 -39.992 1.00 81.51 C
|
| 33 |
+
ATOM 33 CD1 TYR A 36 27.588 1.913 -40.329 1.00 81.51 C
|
| 34 |
+
ATOM 34 CD2 TYR A 36 29.102 2.828 -38.651 1.00 81.51 C
|
| 35 |
+
ATOM 35 CE1 TYR A 36 26.640 1.624 -39.326 1.00 81.51 C
|
| 36 |
+
ATOM 36 CE2 TYR A 36 28.172 2.511 -37.649 1.00 81.51 C
|
| 37 |
+
ATOM 37 OH TYR A 36 26.046 1.682 -36.978 1.00 81.51 O
|
| 38 |
+
ATOM 38 CZ TYR A 36 26.934 1.927 -37.981 1.00 81.51 C
|
| 39 |
+
ATOM 39 N TYR A 37 29.722 0.030 -42.512 1.00 83.69 N
|
| 40 |
+
ATOM 40 CA TYR A 37 29.071 -1.259 -42.776 1.00 83.69 C
|
| 41 |
+
ATOM 41 C TYR A 37 30.058 -2.429 -42.758 1.00 83.69 C
|
| 42 |
+
ATOM 42 CB TYR A 37 28.289 -1.205 -44.091 1.00 83.69 C
|
| 43 |
+
ATOM 43 O TYR A 37 29.750 -3.465 -42.166 1.00 83.69 O
|
| 44 |
+
ATOM 44 CG TYR A 37 26.999 -0.417 -43.986 1.00 83.69 C
|
| 45 |
+
ATOM 45 CD1 TYR A 37 25.939 -0.906 -43.194 1.00 83.69 C
|
| 46 |
+
ATOM 46 CD2 TYR A 37 26.842 0.782 -44.704 1.00 83.69 C
|
| 47 |
+
ATOM 47 CE1 TYR A 37 24.734 -0.181 -43.103 1.00 83.69 C
|
| 48 |
+
ATOM 48 CE2 TYR A 37 25.631 1.492 -44.631 1.00 83.69 C
|
| 49 |
+
ATOM 49 OH TYR A 37 23.419 1.717 -43.753 1.00 83.69 O
|
| 50 |
+
ATOM 50 CZ TYR A 37 24.580 1.021 -43.825 1.00 83.69 C
|
| 51 |
+
ATOM 51 N ASN A 38 31.278 -2.239 -43.273 1.00 83.19 N
|
| 52 |
+
ATOM 52 CA ASN A 38 32.358 -3.221 -43.130 1.00 83.19 C
|
| 53 |
+
ATOM 53 C ASN A 38 32.673 -3.501 -41.650 1.00 83.19 C
|
| 54 |
+
ATOM 54 CB ASN A 38 33.607 -2.704 -43.867 1.00 83.19 C
|
| 55 |
+
ATOM 55 O ASN A 38 32.846 -4.650 -41.251 1.00 83.19 O
|
| 56 |
+
ATOM 56 CG ASN A 38 33.490 -2.774 -45.380 1.00 83.19 C
|
| 57 |
+
ATOM 57 ND2 ASN A 38 34.277 -2.006 -46.095 1.00 83.19 N
|
| 58 |
+
ATOM 58 OD1 ASN A 38 32.734 -3.543 -45.943 1.00 83.19 O
|
| 59 |
+
ATOM 59 N SER A 39 32.698 -2.461 -40.809 1.00 81.21 N
|
| 60 |
+
ATOM 60 CA SER A 39 32.913 -2.609 -39.362 1.00 81.21 C
|
| 61 |
+
ATOM 61 C SER A 39 31.737 -3.301 -38.662 1.00 81.21 C
|
| 62 |
+
ATOM 62 CB SER A 39 33.149 -1.245 -38.706 1.00 81.21 C
|
| 63 |
+
ATOM 63 O SER A 39 31.946 -4.052 -37.709 1.00 81.21 O
|
| 64 |
+
ATOM 64 OG SER A 39 34.227 -0.559 -39.313 1.00 81.21 O
|
| 65 |
+
ATOM 65 N LYS A 40 30.501 -3.070 -39.129 1.00 77.57 N
|
| 66 |
+
ATOM 66 CA LYS A 40 29.285 -3.714 -38.609 1.00 77.57 C
|
| 67 |
+
ATOM 67 C LYS A 40 29.253 -5.206 -38.941 1.00 77.57 C
|
| 68 |
+
ATOM 68 CB LYS A 40 28.037 -2.971 -39.127 1.00 77.57 C
|
| 69 |
+
ATOM 69 O LYS A 40 28.901 -5.978 -38.057 1.00 77.57 O
|
| 70 |
+
ATOM 70 CG LYS A 40 26.733 -3.434 -38.445 1.00 77.57 C
|
| 71 |
+
ATOM 71 CD LYS A 40 25.497 -2.707 -39.011 1.00 77.57 C
|
| 72 |
+
ATOM 72 CE LYS A 40 24.198 -3.250 -38.381 1.00 77.57 C
|
| 73 |
+
ATOM 73 NZ LYS A 40 22.964 -2.731 -39.042 1.00 77.57 N
|
| 74 |
+
ATOM 74 N ALA A 41 29.673 -5.607 -40.141 1.00 80.63 N
|
| 75 |
+
ATOM 75 CA ALA A 41 29.773 -7.018 -40.525 1.00 80.63 C
|
| 76 |
+
ATOM 76 C ALA A 41 30.749 -7.795 -39.620 1.00 80.63 C
|
| 77 |
+
ATOM 77 CB ALA A 41 30.184 -7.085 -42.000 1.00 80.63 C
|
| 78 |
+
ATOM 78 O ALA A 41 30.449 -8.899 -39.185 1.00 80.63 O
|
| 79 |
+
ATOM 79 N LEU A 42 31.864 -7.172 -39.218 1.00 80.07 N
|
| 80 |
+
ATOM 80 CA LEU A 42 32.841 -7.785 -38.304 1.00 80.07 C
|
| 81 |
+
ATOM 81 C LEU A 42 32.327 -7.989 -36.868 1.00 80.07 C
|
| 82 |
+
ATOM 82 CB LEU A 42 34.116 -6.922 -38.278 1.00 80.07 C
|
| 83 |
+
ATOM 83 O LEU A 42 33.005 -8.630 -36.069 1.00 80.07 O
|
| 84 |
+
ATOM 84 CG LEU A 42 34.907 -6.903 -39.596 1.00 80.07 C
|
| 85 |
+
ATOM 85 CD1 LEU A 42 36.030 -5.869 -39.482 1.00 80.07 C
|
| 86 |
+
ATOM 86 CD2 LEU A 42 35.532 -8.261 -39.914 1.00 80.07 C
|
| 87 |
+
ATOM 87 N LYS A 43 31.171 -7.424 -36.498 1.00 73.77 N
|
| 88 |
+
ATOM 88 CA LYS A 43 30.641 -7.476 -35.125 1.00 73.77 C
|
| 89 |
+
ATOM 89 C LYS A 43 30.318 -8.901 -34.672 1.00 73.77 C
|
| 90 |
+
ATOM 90 CB LYS A 43 29.394 -6.588 -35.064 1.00 73.77 C
|
| 91 |
+
ATOM 91 O LYS A 43 30.443 -9.178 -33.478 1.00 73.77 O
|
| 92 |
+
ATOM 92 CG LYS A 43 28.754 -6.496 -33.673 1.00 73.77 C
|
| 93 |
+
ATOM 93 CD LYS A 43 27.539 -5.570 -33.754 1.00 73.77 C
|
| 94 |
+
ATOM 94 CE LYS A 43 26.720 -5.615 -32.464 1.00 73.77 C
|
| 95 |
+
ATOM 95 NZ LYS A 43 25.448 -4.877 -32.655 1.00 73.77 N
|
| 96 |
+
ATOM 96 N GLU A 44 29.875 -9.748 -35.595 1.00 74.30 N
|
| 97 |
+
ATOM 97 CA GLU A 44 29.533 -11.146 -35.318 1.00 74.30 C
|
| 98 |
+
ATOM 98 C GLU A 44 30.772 -12.043 -35.348 1.00 74.30 C
|
| 99 |
+
ATOM 99 CB GLU A 44 28.455 -11.627 -36.301 1.00 74.30 C
|
| 100 |
+
ATOM 100 O GLU A 44 30.936 -12.878 -34.461 1.00 74.30 O
|
| 101 |
+
ATOM 101 CG GLU A 44 27.168 -10.814 -36.101 1.00 74.30 C
|
| 102 |
+
ATOM 102 CD GLU A 44 25.955 -11.354 -36.864 1.00 74.30 C
|
| 103 |
+
ATOM 103 OE1 GLU A 44 24.884 -10.763 -36.612 1.00 74.30 O
|
| 104 |
+
ATOM 104 OE2 GLU A 44 26.115 -12.298 -37.667 1.00 74.30 O
|
| 105 |
+
ATOM 105 N ASP A 45 31.682 -11.795 -36.292 1.00 77.75 N
|
| 106 |
+
ATOM 106 CA ASP A 45 32.866 -12.630 -36.513 1.00 77.75 C
|
| 107 |
+
ATOM 107 C ASP A 45 34.013 -12.349 -35.523 1.00 77.75 C
|
| 108 |
+
ATOM 108 CB ASP A 45 33.356 -12.425 -37.955 1.00 77.75 C
|
| 109 |
+
ATOM 109 O ASP A 45 34.580 -13.271 -34.935 1.00 77.75 O
|
| 110 |
+
ATOM 110 CG ASP A 45 32.387 -12.936 -39.026 1.00 77.75 C
|
| 111 |
+
ATOM 111 OD1 ASP A 45 31.725 -13.965 -38.775 1.00 77.75 O
|
| 112 |
+
ATOM 112 OD2 ASP A 45 32.389 -12.319 -40.114 1.00 77.75 O
|
| 113 |
+
ATOM 113 N ASP A 46 34.378 -11.077 -35.319 1.00 83.53 N
|
| 114 |
+
ATOM 114 CA ASP A 46 35.449 -10.670 -34.401 1.00 83.53 C
|
| 115 |
+
ATOM 115 C ASP A 46 35.145 -9.303 -33.751 1.00 83.53 C
|
| 116 |
+
ATOM 116 CB ASP A 46 36.819 -10.686 -35.099 1.00 83.53 C
|
| 117 |
+
ATOM 117 O ASP A 46 35.499 -8.239 -34.282 1.00 83.53 O
|
| 118 |
+
ATOM 118 CG ASP A 46 37.987 -10.355 -34.147 1.00 83.53 C
|
| 119 |
+
ATOM 119 OD1 ASP A 46 37.759 -9.959 -32.972 1.00 83.53 O
|
| 120 |
+
ATOM 120 OD2 ASP A 46 39.151 -10.427 -34.599 1.00 83.53 O
|
| 121 |
+
ATOM 121 N PRO A 47 34.572 -9.304 -32.531 1.00 81.06 N
|
| 122 |
+
ATOM 122 CA PRO A 47 34.260 -8.089 -31.786 1.00 81.06 C
|
| 123 |
+
ATOM 123 C PRO A 47 35.455 -7.145 -31.571 1.00 81.06 C
|
| 124 |
+
ATOM 124 CB PRO A 47 33.719 -8.595 -30.445 1.00 81.06 C
|
| 125 |
+
ATOM 125 O PRO A 47 35.272 -5.928 -31.489 1.00 81.06 O
|
| 126 |
+
ATOM 126 CG PRO A 47 33.102 -9.949 -30.779 1.00 81.06 C
|
| 127 |
+
ATOM 127 CD PRO A 47 34.043 -10.481 -31.851 1.00 81.06 C
|
| 128 |
+
ATOM 128 N LYS A 48 36.690 -7.660 -31.475 1.00 83.06 N
|
| 129 |
+
ATOM 129 CA LYS A 48 37.885 -6.821 -31.268 1.00 83.06 C
|
| 130 |
+
ATOM 130 C LYS A 48 38.337 -6.169 -32.573 1.00 83.06 C
|
| 131 |
+
ATOM 131 CB LYS A 48 39.026 -7.650 -30.667 1.00 83.06 C
|
| 132 |
+
ATOM 132 O LYS A 48 38.706 -4.991 -32.567 1.00 83.06 O
|
| 133 |
+
ATOM 133 CG LYS A 48 38.745 -8.096 -29.226 1.00 83.06 C
|
| 134 |
+
ATOM 134 CD LYS A 48 39.928 -8.926 -28.717 1.00 83.06 C
|
| 135 |
+
ATOM 135 CE LYS A 48 39.667 -9.407 -27.288 1.00 83.06 C
|
| 136 |
+
ATOM 136 NZ LYS A 48 40.735 -10.333 -26.839 1.00 83.06 N
|
| 137 |
+
ATOM 137 N ALA A 49 38.280 -6.896 -33.689 1.00 81.97 N
|
| 138 |
+
ATOM 138 CA ALA A 49 38.527 -6.321 -35.011 1.00 81.97 C
|
| 139 |
+
ATOM 139 C ALA A 49 37.447 -5.298 -35.396 1.00 81.97 C
|
| 140 |
+
ATOM 140 CB ALA A 49 38.627 -7.436 -36.050 1.00 81.97 C
|
| 141 |
+
ATOM 141 O ALA A 49 37.770 -4.258 -35.975 1.00 81.97 O
|
| 142 |
+
ATOM 142 N ALA A 50 36.193 -5.525 -34.996 1.00 82.85 N
|
| 143 |
+
ATOM 143 CA ALA A 50 35.120 -4.550 -35.156 1.00 82.85 C
|
| 144 |
+
ATOM 144 C ALA A 50 35.427 -3.243 -34.404 1.00 82.85 C
|
| 145 |
+
ATOM 145 CB ALA A 50 33.804 -5.185 -34.699 1.00 82.85 C
|
| 146 |
+
ATOM 146 O ALA A 50 35.320 -2.168 -34.990 1.00 82.85 O
|
| 147 |
+
ATOM 147 N LEU A 51 35.894 -3.304 -33.146 1.00 83.28 N
|
| 148 |
+
ATOM 148 CA LEU A 51 36.284 -2.106 -32.380 1.00 83.28 C
|
| 149 |
+
ATOM 149 C LEU A 51 37.400 -1.302 -33.059 1.00 83.28 C
|
| 150 |
+
ATOM 150 CB LEU A 51 36.738 -2.494 -30.960 1.00 83.28 C
|
| 151 |
+
ATOM 151 O LEU A 51 37.312 -0.076 -33.121 1.00 83.28 O
|
| 152 |
+
ATOM 152 CG LEU A 51 35.612 -2.892 -29.995 1.00 83.28 C
|
| 153 |
+
ATOM 153 CD1 LEU A 51 36.228 -3.403 -28.693 1.00 83.28 C
|
| 154 |
+
ATOM 154 CD2 LEU A 51 34.687 -1.719 -29.666 1.00 83.28 C
|
| 155 |
+
ATOM 155 N SER A 52 38.432 -1.971 -33.582 1.00 84.22 N
|
| 156 |
+
ATOM 156 CA SER A 52 39.512 -1.280 -34.300 1.00 84.22 C
|
| 157 |
+
ATOM 157 C SER A 52 39.046 -0.709 -35.643 1.00 84.22 C
|
| 158 |
+
ATOM 158 CB SER A 52 40.740 -2.180 -34.471 1.00 84.22 C
|
| 159 |
+
ATOM 159 O SER A 52 39.503 0.356 -36.051 1.00 84.22 O
|
| 160 |
+
ATOM 160 OG SER A 52 40.503 -3.268 -35.338 1.00 84.22 O
|
| 161 |
+
ATOM 161 N SER A 53 38.090 -1.361 -36.306 1.00 83.56 N
|
| 162 |
+
ATOM 162 CA SER A 53 37.507 -0.877 -37.561 1.00 83.56 C
|
| 163 |
+
ATOM 163 C SER A 53 36.578 0.323 -37.346 1.00 83.56 C
|
| 164 |
+
ATOM 164 CB SER A 53 36.807 -2.018 -38.300 1.00 83.56 C
|
| 165 |
+
ATOM 165 O SER A 53 36.679 1.297 -38.090 1.00 83.56 O
|
| 166 |
+
ATOM 166 OG SER A 53 37.742 -3.054 -38.535 1.00 83.56 O
|
| 167 |
+
ATOM 167 N PHE A 54 35.771 0.331 -36.278 1.00 86.01 N
|
| 168 |
+
ATOM 168 CA PHE A 54 34.983 1.502 -35.874 1.00 86.01 C
|
| 169 |
+
ATOM 169 C PHE A 54 35.862 2.668 -35.407 1.00 86.01 C
|
| 170 |
+
ATOM 170 CB PHE A 54 33.994 1.127 -34.761 1.00 86.01 C
|
| 171 |
+
ATOM 171 O PHE A 54 35.533 3.822 -35.668 1.00 86.01 O
|
| 172 |
+
ATOM 172 CG PHE A 54 32.779 0.346 -35.219 1.00 86.01 C
|
| 173 |
+
ATOM 173 CD1 PHE A 54 31.913 0.900 -36.182 1.00 86.01 C
|
| 174 |
+
ATOM 174 CD2 PHE A 54 32.502 -0.926 -34.685 1.00 86.01 C
|
| 175 |
+
ATOM 175 CE1 PHE A 54 30.792 0.177 -36.623 1.00 86.01 C
|
| 176 |
+
ATOM 176 CE2 PHE A 54 31.391 -1.656 -35.141 1.00 86.01 C
|
| 177 |
+
ATOM 177 CZ PHE A 54 30.534 -1.101 -36.105 1.00 86.01 C
|
| 178 |
+
ATOM 178 N GLN A 55 37.005 2.390 -34.776 1.00 84.33 N
|
| 179 |
+
ATOM 179 CA GLN A 55 37.982 3.426 -34.441 1.00 84.33 C
|
| 180 |
+
ATOM 180 C GLN A 55 38.511 4.138 -35.700 1.00 84.33 C
|
| 181 |
+
ATOM 181 CB GLN A 55 39.101 2.796 -33.598 1.00 84.33 C
|
| 182 |
+
ATOM 182 O GLN A 55 38.644 5.359 -35.685 1.00 84.33 O
|
| 183 |
+
ATOM 183 CG GLN A 55 40.183 3.794 -33.173 1.00 84.33 C
|
| 184 |
+
ATOM 184 CD GLN A 55 39.654 4.936 -32.320 1.00 84.33 C
|
| 185 |
+
ATOM 185 NE2 GLN A 55 40.193 6.119 -32.491 1.00 84.33 N
|
| 186 |
+
ATOM 186 OE1 GLN A 55 38.791 4.772 -31.467 1.00 84.33 O
|
| 187 |
+
ATOM 187 N LYS A 56 38.720 3.414 -36.811 1.00 82.90 N
|
| 188 |
+
ATOM 188 CA LYS A 56 39.089 4.027 -38.101 1.00 82.90 C
|
| 189 |
+
ATOM 189 C LYS A 56 37.995 4.942 -38.650 1.00 82.90 C
|
| 190 |
+
ATOM 190 CB LYS A 56 39.429 2.965 -39.153 1.00 82.90 C
|
| 191 |
+
ATOM 191 O LYS A 56 38.324 5.975 -39.215 1.00 82.90 O
|
| 192 |
+
ATOM 192 CG LYS A 56 40.696 2.171 -38.821 1.00 82.90 C
|
| 193 |
+
ATOM 193 CD LYS A 56 40.851 1.033 -39.832 1.00 82.90 C
|
| 194 |
+
ATOM 194 CE LYS A 56 42.081 0.192 -39.492 1.00 82.90 C
|
| 195 |
+
ATOM 195 NZ LYS A 56 42.181 -0.972 -40.406 1.00 82.90 N
|
| 196 |
+
ATOM 196 N VAL A 57 36.712 4.610 -38.460 1.00 82.61 N
|
| 197 |
+
ATOM 197 CA VAL A 57 35.597 5.502 -38.848 1.00 82.61 C
|
| 198 |
+
ATOM 198 C VAL A 57 35.711 6.847 -38.121 1.00 82.61 C
|
| 199 |
+
ATOM 199 CB VAL A 57 34.211 4.871 -38.578 1.00 82.61 C
|
| 200 |
+
ATOM 200 O VAL A 57 35.578 7.889 -38.750 1.00 82.61 O
|
| 201 |
+
ATOM 201 CG1 VAL A 57 33.060 5.790 -39.007 1.00 82.61 C
|
| 202 |
+
ATOM 202 CG2 VAL A 57 34.018 3.548 -39.326 1.00 82.61 C
|
| 203 |
+
ATOM 203 N LEU A 58 36.030 6.833 -36.820 1.00 81.06 N
|
| 204 |
+
ATOM 204 CA LEU A 58 36.207 8.060 -36.028 1.00 81.06 C
|
| 205 |
+
ATOM 205 C LEU A 58 37.414 8.894 -36.466 1.00 81.06 C
|
| 206 |
+
ATOM 206 CB LEU A 58 36.352 7.705 -34.534 1.00 81.06 C
|
| 207 |
+
ATOM 207 O LEU A 58 37.379 10.117 -36.373 1.00 81.06 O
|
| 208 |
+
ATOM 208 CG LEU A 58 35.109 7.057 -33.915 1.00 81.06 C
|
| 209 |
+
ATOM 209 CD1 LEU A 58 35.428 6.545 -32.507 1.00 81.06 C
|
| 210 |
+
ATOM 210 CD2 LEU A 58 33.961 8.058 -33.810 1.00 81.06 C
|
| 211 |
+
ATOM 211 N GLU A 59 38.485 8.244 -36.916 1.00 81.62 N
|
| 212 |
+
ATOM 212 CA GLU A 59 39.683 8.921 -37.425 1.00 81.62 C
|
| 213 |
+
ATOM 213 C GLU A 59 39.457 9.531 -38.813 1.00 81.62 C
|
| 214 |
+
ATOM 214 CB GLU A 59 40.851 7.925 -37.453 1.00 81.62 C
|
| 215 |
+
ATOM 215 O GLU A 59 39.962 10.618 -39.087 1.00 81.62 O
|
| 216 |
+
ATOM 216 CG GLU A 59 41.343 7.607 -36.033 1.00 81.62 C
|
| 217 |
+
ATOM 217 CD GLU A 59 42.309 6.417 -35.953 1.00 81.62 C
|
| 218 |
+
ATOM 218 OE1 GLU A 59 42.497 5.946 -34.803 1.00 81.62 O
|
| 219 |
+
ATOM 219 OE2 GLU A 59 42.836 5.969 -36.998 1.00 81.62 O
|
| 220 |
+
ATOM 220 N LEU A 60 38.683 8.854 -39.667 1.00 79.48 N
|
| 221 |
+
ATOM 221 CA LEU A 60 38.334 9.320 -41.011 1.00 79.48 C
|
| 222 |
+
ATOM 222 C LEU A 60 37.343 10.489 -40.998 1.00 79.48 C
|
| 223 |
+
ATOM 223 CB LEU A 60 37.742 8.145 -41.809 1.00 79.48 C
|
| 224 |
+
ATOM 224 O LEU A 60 37.382 11.315 -41.904 1.00 79.48 O
|
| 225 |
+
ATOM 225 CG LEU A 60 38.752 7.071 -42.243 1.00 79.48 C
|
| 226 |
+
ATOM 226 CD1 LEU A 60 37.992 5.854 -42.774 1.00 79.48 C
|
| 227 |
+
ATOM 227 CD2 LEU A 60 39.689 7.573 -43.342 1.00 79.48 C
|
| 228 |
+
ATOM 228 N GLU A 61 36.456 10.560 -40.001 1.00 75.59 N
|
| 229 |
+
ATOM 229 CA GLU A 61 35.429 11.606 -39.941 1.00 75.59 C
|
| 230 |
+
ATOM 230 C GLU A 61 36.028 12.992 -39.647 1.00 75.59 C
|
| 231 |
+
ATOM 231 CB GLU A 61 34.346 11.206 -38.925 1.00 75.59 C
|
| 232 |
+
ATOM 232 O GLU A 61 35.576 13.981 -40.218 1.00 75.59 O
|
| 233 |
+
ATOM 233 CG GLU A 61 33.007 11.886 -39.234 1.00 75.59 C
|
| 234 |
+
ATOM 234 CD GLU A 61 31.905 11.474 -38.255 1.00 75.59 C
|
| 235 |
+
ATOM 235 OE1 GLU A 61 30.775 11.187 -38.712 1.00 75.59 O
|
| 236 |
+
ATOM 236 OE2 GLU A 61 32.139 11.429 -37.027 1.00 75.59 O
|
| 237 |
+
ATOM 237 N GLY A 62 37.094 13.064 -38.835 1.00 69.91 N
|
| 238 |
+
ATOM 238 CA GLY A 62 37.833 14.291 -38.503 1.00 69.91 C
|
| 239 |
+
ATOM 239 C GLY A 62 37.025 15.307 -37.680 1.00 69.91 C
|
| 240 |
+
ATOM 240 O GLY A 62 37.379 15.615 -36.539 1.00 69.91 O
|
| 241 |
+
ATOM 241 N GLU A 63 35.933 15.818 -38.246 1.00 75.26 N
|
| 242 |
+
ATOM 242 CA GLU A 63 34.893 16.585 -37.563 1.00 75.26 C
|
| 243 |
+
ATOM 243 C GLU A 63 33.804 15.657 -37.007 1.00 75.26 C
|
| 244 |
+
ATOM 244 CB GLU A 63 34.289 17.649 -38.495 1.00 75.26 C
|
| 245 |
+
ATOM 245 O GLU A 63 33.604 14.546 -37.477 1.00 75.26 O
|
| 246 |
+
ATOM 246 CG GLU A 63 35.319 18.725 -38.878 1.00 75.26 C
|
| 247 |
+
ATOM 247 CD GLU A 63 34.699 19.966 -39.541 1.00 75.26 C
|
| 248 |
+
ATOM 248 OE1 GLU A 63 35.393 21.010 -39.544 1.00 75.26 O
|
| 249 |
+
ATOM 249 OE2 GLU A 63 33.532 19.897 -39.986 1.00 75.26 O
|
| 250 |
+
ATOM 250 N LYS A 64 33.085 16.096 -35.970 1.00 78.86 N
|
| 251 |
+
ATOM 251 CA LYS A 64 32.034 15.278 -35.349 1.00 78.86 C
|
| 252 |
+
ATOM 252 C LYS A 64 30.823 15.174 -36.274 1.00 78.86 C
|
| 253 |
+
ATOM 253 CB LYS A 64 31.604 15.880 -34.011 1.00 78.86 C
|
| 254 |
+
ATOM 254 O LYS A 64 30.050 16.132 -36.346 1.00 78.86 O
|
| 255 |
+
ATOM 255 CG LYS A 64 32.704 15.837 -32.954 1.00 78.86 C
|
| 256 |
+
ATOM 256 CD LYS A 64 32.150 16.495 -31.693 1.00 78.86 C
|
| 257 |
+
ATOM 257 CE LYS A 64 33.158 16.374 -30.560 1.00 78.86 C
|
| 258 |
+
ATOM 258 NZ LYS A 64 32.635 17.068 -29.369 1.00 78.86 N
|
| 259 |
+
ATOM 259 N GLY A 65 30.623 14.016 -36.890 1.00 82.05 N
|
| 260 |
+
ATOM 260 CA GLY A 65 29.495 13.741 -37.774 1.00 82.05 C
|
| 261 |
+
ATOM 261 C GLY A 65 28.630 12.561 -37.321 1.00 82.05 C
|
| 262 |
+
ATOM 262 O GLY A 65 28.767 12.000 -36.225 1.00 82.05 O
|
| 263 |
+
ATOM 263 N GLU A 66 27.660 12.230 -38.167 1.00 79.65 N
|
| 264 |
+
ATOM 264 CA GLU A 66 26.663 11.195 -37.906 1.00 79.65 C
|
| 265 |
+
ATOM 265 C GLU A 66 27.272 9.781 -37.879 1.00 79.65 C
|
| 266 |
+
ATOM 266 CB GLU A 66 25.591 11.310 -38.994 1.00 79.65 C
|
| 267 |
+
ATOM 267 O GLU A 66 26.856 8.933 -37.078 1.00 79.65 O
|
| 268 |
+
ATOM 268 CG GLU A 66 24.338 10.509 -38.640 1.00 79.65 C
|
| 269 |
+
ATOM 269 CD GLU A 66 23.337 10.478 -39.794 1.00 79.65 C
|
| 270 |
+
ATOM 270 OE1 GLU A 66 22.642 9.442 -39.862 1.00 79.65 O
|
| 271 |
+
ATOM 271 OE2 GLU A 66 23.296 11.443 -40.582 1.00 79.65 O
|
| 272 |
+
ATOM 272 N TRP A 67 28.293 9.527 -38.703 1.00 82.11 N
|
| 273 |
+
ATOM 273 CA TRP A 67 28.937 8.219 -38.820 1.00 82.11 C
|
| 274 |
+
ATOM 274 C TRP A 67 29.788 7.900 -37.597 1.00 82.11 C
|
| 275 |
+
ATOM 275 CB TRP A 67 29.765 8.150 -40.107 1.00 82.11 C
|
| 276 |
+
ATOM 276 O TRP A 67 29.731 6.774 -37.096 1.00 82.11 O
|
| 277 |
+
ATOM 277 CG TRP A 67 28.940 8.141 -41.352 1.00 82.11 C
|
| 278 |
+
ATOM 278 CD1 TRP A 67 28.847 9.146 -42.251 1.00 82.11 C
|
| 279 |
+
ATOM 279 CD2 TRP A 67 28.048 7.088 -41.831 1.00 82.11 C
|
| 280 |
+
ATOM 280 CE2 TRP A 67 27.432 7.537 -43.036 1.00 82.11 C
|
| 281 |
+
ATOM 281 CE3 TRP A 67 27.690 5.804 -41.359 1.00 82.11 C
|
| 282 |
+
ATOM 282 NE1 TRP A 67 27.966 8.787 -43.253 1.00 82.11 N
|
| 283 |
+
ATOM 283 CH2 TRP A 67 26.148 5.499 -43.231 1.00 82.11 C
|
| 284 |
+
ATOM 284 CZ2 TRP A 67 26.495 6.762 -43.731 1.00 82.11 C
|
| 285 |
+
ATOM 285 CZ3 TRP A 67 26.749 5.018 -42.054 1.00 82.11 C
|
| 286 |
+
ATOM 286 N GLY A 68 30.497 8.882 -37.041 1.00 82.76 N
|
| 287 |
+
ATOM 287 CA GLY A 68 31.210 8.732 -35.777 1.00 82.76 C
|
| 288 |
+
ATOM 288 C GLY A 68 30.256 8.491 -34.612 1.00 82.76 C
|
| 289 |
+
ATOM 289 O GLY A 68 30.515 7.635 -33.762 1.00 82.76 O
|
| 290 |
+
ATOM 290 N PHE A 69 29.088 9.139 -34.604 1.00 84.53 N
|
| 291 |
+
ATOM 291 CA PHE A 69 28.051 8.856 -33.610 1.00 84.53 C
|
| 292 |
+
ATOM 292 C PHE A 69 27.507 7.420 -33.733 1.00 84.53 C
|
| 293 |
+
ATOM 293 CB PHE A 69 26.935 9.898 -33.722 1.00 84.53 C
|
| 294 |
+
ATOM 294 O PHE A 69 27.428 6.693 -32.733 1.00 84.53 O
|
| 295 |
+
ATOM 295 CG PHE A 69 25.882 9.751 -32.645 1.00 84.53 C
|
| 296 |
+
ATOM 296 CD1 PHE A 69 24.771 8.920 -32.850 1.00 84.53 C
|
| 297 |
+
ATOM 297 CD2 PHE A 69 26.019 10.427 -31.424 1.00 84.53 C
|
| 298 |
+
ATOM 298 CE1 PHE A 69 23.775 8.817 -31.865 1.00 84.53 C
|
| 299 |
+
ATOM 299 CE2 PHE A 69 25.037 10.318 -30.427 1.00 84.53 C
|
| 300 |
+
ATOM 300 CZ PHE A 69 23.904 9.519 -30.653 1.00 84.53 C
|
| 301 |
+
ATOM 301 N LYS A 70 27.175 6.977 -34.956 1.00 84.52 N
|
| 302 |
+
ATOM 302 CA LYS A 70 26.729 5.603 -35.249 1.00 84.52 C
|
| 303 |
+
ATOM 303 C LYS A 70 27.811 4.573 -34.884 1.00 84.52 C
|
| 304 |
+
ATOM 304 CB LYS A 70 26.284 5.506 -36.733 1.00 84.52 C
|
| 305 |
+
ATOM 305 O LYS A 70 27.479 3.524 -34.321 1.00 84.52 O
|
| 306 |
+
ATOM 306 CG LYS A 70 24.870 6.078 -36.983 1.00 84.52 C
|
| 307 |
+
ATOM 307 CD LYS A 70 24.399 6.117 -38.462 1.00 84.52 C
|
| 308 |
+
ATOM 308 CE LYS A 70 22.895 6.495 -38.532 1.00 84.52 C
|
| 309 |
+
ATOM 309 NZ LYS A 70 22.341 6.804 -39.883 1.00 84.52 N
|
| 310 |
+
ATOM 310 N ALA A 71 29.088 4.865 -35.144 1.00 85.19 N
|
| 311 |
+
ATOM 311 CA ALA A 71 30.229 4.018 -34.791 1.00 85.19 C
|
| 312 |
+
ATOM 312 C ALA A 71 30.395 3.898 -33.270 1.00 85.19 C
|
| 313 |
+
ATOM 313 CB ALA A 71 31.492 4.572 -35.464 1.00 85.19 C
|
| 314 |
+
ATOM 314 O ALA A 71 30.433 2.784 -32.746 1.00 85.19 O
|
| 315 |
+
ATOM 315 N LEU A 72 30.383 5.019 -32.539 1.00 88.07 N
|
| 316 |
+
ATOM 316 CA LEU A 72 30.482 5.026 -31.074 1.00 88.07 C
|
| 317 |
+
ATOM 317 C LEU A 72 29.349 4.230 -30.417 1.00 88.07 C
|
| 318 |
+
ATOM 318 CB LEU A 72 30.487 6.475 -30.555 1.00 88.07 C
|
| 319 |
+
ATOM 319 O LEU A 72 29.605 3.459 -29.490 1.00 88.07 O
|
| 320 |
+
ATOM 320 CG LEU A 72 31.816 7.207 -30.789 1.00 88.07 C
|
| 321 |
+
ATOM 321 CD1 LEU A 72 31.658 8.709 -30.569 1.00 88.07 C
|
| 322 |
+
ATOM 322 CD2 LEU A 72 32.911 6.706 -29.845 1.00 88.07 C
|
| 323 |
+
ATOM 323 N LYS A 73 28.114 4.347 -30.926 1.00 86.31 N
|
| 324 |
+
ATOM 324 CA LYS A 73 26.962 3.559 -30.449 1.00 86.31 C
|
| 325 |
+
ATOM 325 C LYS A 73 27.231 2.053 -30.551 1.00 86.31 C
|
| 326 |
+
ATOM 326 CB LYS A 73 25.705 3.986 -31.233 1.00 86.31 C
|
| 327 |
+
ATOM 327 O LYS A 73 26.949 1.319 -29.603 1.00 86.31 O
|
| 328 |
+
ATOM 328 CG LYS A 73 24.408 3.271 -30.800 1.00 86.31 C
|
| 329 |
+
ATOM 329 CD LYS A 73 23.213 3.776 -31.633 1.00 86.31 C
|
| 330 |
+
ATOM 330 CE LYS A 73 21.885 3.076 -31.286 1.00 86.31 C
|
| 331 |
+
ATOM 331 NZ LYS A 73 20.761 3.568 -32.139 1.00 86.31 N
|
| 332 |
+
ATOM 332 N GLN A 74 27.799 1.583 -31.664 1.00 85.36 N
|
| 333 |
+
ATOM 333 CA GLN A 74 28.146 0.165 -31.825 1.00 85.36 C
|
| 334 |
+
ATOM 334 C GLN A 74 29.343 -0.239 -30.958 1.00 85.36 C
|
| 335 |
+
ATOM 335 CB GLN A 74 28.398 -0.186 -33.300 1.00 85.36 C
|
| 336 |
+
ATOM 336 O GLN A 74 29.293 -1.295 -30.327 1.00 85.36 O
|
| 337 |
+
ATOM 337 CG GLN A 74 27.159 -0.011 -34.190 1.00 85.36 C
|
| 338 |
+
ATOM 338 CD GLN A 74 25.934 -0.833 -33.773 1.00 85.36 C
|
| 339 |
+
ATOM 339 NE2 GLN A 74 24.751 -0.336 -34.065 1.00 85.36 N
|
| 340 |
+
ATOM 340 OE1 GLN A 74 25.991 -1.920 -33.200 1.00 85.36 O
|
| 341 |
+
ATOM 341 N MET A 75 30.370 0.609 -30.839 1.00 86.36 N
|
| 342 |
+
ATOM 342 CA MET A 75 31.521 0.352 -29.963 1.00 86.36 C
|
| 343 |
+
ATOM 343 C MET A 75 31.104 0.174 -28.497 1.00 86.36 C
|
| 344 |
+
ATOM 344 CB MET A 75 32.545 1.492 -30.059 1.00 86.36 C
|
| 345 |
+
ATOM 345 O MET A 75 31.624 -0.708 -27.818 1.00 86.36 O
|
| 346 |
+
ATOM 346 CG MET A 75 33.239 1.570 -31.418 1.00 86.36 C
|
| 347 |
+
ATOM 347 SD MET A 75 34.374 2.976 -31.560 1.00 86.36 S
|
| 348 |
+
ATOM 348 CE MET A 75 35.825 2.315 -30.697 1.00 86.36 C
|
| 349 |
+
ATOM 349 N ILE A 76 30.138 0.960 -28.009 1.00 86.90 N
|
| 350 |
+
ATOM 350 CA ILE A 76 29.576 0.816 -26.655 1.00 86.90 C
|
| 351 |
+
ATOM 351 C ILE A 76 28.875 -0.537 -26.500 1.00 86.90 C
|
| 352 |
+
ATOM 352 CB ILE A 76 28.624 1.991 -26.350 1.00 86.90 C
|
| 353 |
+
ATOM 353 O ILE A 76 29.164 -1.259 -25.546 1.00 86.90 O
|
| 354 |
+
ATOM 354 CG1 ILE A 76 29.435 3.298 -26.210 1.00 86.90 C
|
| 355 |
+
ATOM 355 CG2 ILE A 76 27.782 1.761 -25.078 1.00 86.90 C
|
| 356 |
+
ATOM 356 CD1 ILE A 76 28.558 4.524 -26.451 1.00 86.90 C
|
| 357 |
+
ATOM 357 N LYS A 77 28.006 -0.918 -27.450 1.00 85.74 N
|
| 358 |
+
ATOM 358 CA LYS A 77 27.314 -2.221 -27.425 1.00 85.74 C
|
| 359 |
+
ATOM 359 C LYS A 77 28.305 -3.393 -27.434 1.00 85.74 C
|
| 360 |
+
ATOM 360 CB LYS A 77 26.319 -2.340 -28.598 1.00 85.74 C
|
| 361 |
+
ATOM 361 O LYS A 77 28.109 -4.356 -26.695 1.00 85.74 O
|
| 362 |
+
ATOM 362 CG LYS A 77 25.068 -1.453 -28.445 1.00 85.74 C
|
| 363 |
+
ATOM 363 CD LYS A 77 24.033 -1.745 -29.552 1.00 85.74 C
|
| 364 |
+
ATOM 364 CE LYS A 77 22.746 -0.921 -29.354 1.00 85.74 C
|
| 365 |
+
ATOM 365 NZ LYS A 77 21.599 -1.420 -30.173 1.00 85.74 N
|
| 366 |
+
ATOM 366 N ILE A 78 29.376 -3.302 -28.226 1.00 85.77 N
|
| 367 |
+
ATOM 367 CA ILE A 78 30.435 -4.320 -28.289 1.00 85.77 C
|
| 368 |
+
ATOM 368 C ILE A 78 31.225 -4.374 -26.976 1.00 85.77 C
|
| 369 |
+
ATOM 369 CB ILE A 78 31.360 -4.081 -29.504 1.00 85.77 C
|
| 370 |
+
ATOM 370 O ILE A 78 31.384 -5.454 -26.412 1.00 85.77 O
|
| 371 |
+
ATOM 371 CG1 ILE A 78 30.593 -4.321 -30.823 1.00 85.77 C
|
| 372 |
+
ATOM 372 CG2 ILE A 78 32.566 -5.031 -29.425 1.00 85.77 C
|
| 373 |
+
ATOM 373 CD1 ILE A 78 31.317 -3.774 -32.060 1.00 85.77 C
|
| 374 |
+
ATOM 374 N ASN A 79 31.670 -3.232 -26.444 1.00 86.45 N
|
| 375 |
+
ATOM 375 CA ASN A 79 32.397 -3.195 -25.171 1.00 86.45 C
|
| 376 |
+
ATOM 376 C ASN A 79 31.550 -3.712 -24.000 1.00 86.45 C
|
| 377 |
+
ATOM 377 CB ASN A 79 32.895 -1.770 -24.891 1.00 86.45 C
|
| 378 |
+
ATOM 378 O ASN A 79 32.089 -4.362 -23.106 1.00 86.45 O
|
| 379 |
+
ATOM 379 CG ASN A 79 34.169 -1.426 -25.632 1.00 86.45 C
|
| 380 |
+
ATOM 380 ND2 ASN A 79 34.313 -0.203 -26.083 1.00 86.45 N
|
| 381 |
+
ATOM 381 OD1 ASN A 79 35.075 -2.230 -25.763 1.00 86.45 O
|
| 382 |
+
ATOM 382 N PHE A 80 30.234 -3.481 -24.024 1.00 83.99 N
|
| 383 |
+
ATOM 383 CA PHE A 80 29.306 -4.066 -23.058 1.00 83.99 C
|
| 384 |
+
ATOM 384 C PHE A 80 29.245 -5.596 -23.177 1.00 83.99 C
|
| 385 |
+
ATOM 385 CB PHE A 80 27.926 -3.428 -23.233 1.00 83.99 C
|
| 386 |
+
ATOM 386 O PHE A 80 29.391 -6.276 -22.164 1.00 83.99 O
|
| 387 |
+
ATOM 387 CG PHE A 80 26.911 -3.882 -22.202 1.00 83.99 C
|
| 388 |
+
ATOM 388 CD1 PHE A 80 26.034 -4.950 -22.471 1.00 83.99 C
|
| 389 |
+
ATOM 389 CD2 PHE A 80 26.838 -3.225 -20.963 1.00 83.99 C
|
| 390 |
+
ATOM 390 CE1 PHE A 80 25.054 -5.314 -21.532 1.00 83.99 C
|
| 391 |
+
ATOM 391 CE2 PHE A 80 25.881 -3.607 -20.010 1.00 83.99 C
|
| 392 |
+
ATOM 392 CZ PHE A 80 24.975 -4.642 -20.303 1.00 83.99 C
|
| 393 |
+
ATOM 393 N LYS A 81 29.129 -6.151 -24.399 1.00 84.54 N
|
| 394 |
+
ATOM 394 CA LYS A 81 29.195 -7.612 -24.627 1.00 84.54 C
|
| 395 |
+
ATOM 395 C LYS A 81 30.534 -8.208 -24.172 1.00 84.54 C
|
| 396 |
+
ATOM 396 CB LYS A 81 28.937 -7.970 -26.108 1.00 84.54 C
|
| 397 |
+
ATOM 397 O LYS A 81 30.562 -9.300 -23.617 1.00 84.54 O
|
| 398 |
+
ATOM 398 CG LYS A 81 27.469 -7.813 -26.547 1.00 84.54 C
|
| 399 |
+
ATOM 399 CD LYS A 81 27.200 -8.441 -27.932 1.00 84.54 C
|
| 400 |
+
ATOM 400 CE LYS A 81 25.715 -8.313 -28.334 1.00 84.54 C
|
| 401 |
+
ATOM 401 NZ LYS A 81 25.337 -9.160 -29.508 1.00 84.54 N
|
| 402 |
+
ATOM 402 N LEU A 82 31.635 -7.481 -24.360 1.00 85.64 N
|
| 403 |
+
ATOM 403 CA LEU A 82 32.977 -7.890 -23.930 1.00 85.64 C
|
| 404 |
+
ATOM 404 C LEU A 82 33.263 -7.632 -22.440 1.00 85.64 C
|
| 405 |
+
ATOM 405 CB LEU A 82 34.029 -7.206 -24.825 1.00 85.64 C
|
| 406 |
+
ATOM 406 O LEU A 82 34.377 -7.897 -21.990 1.00 85.64 O
|
| 407 |
+
ATOM 407 CG LEU A 82 34.017 -7.638 -26.303 1.00 85.64 C
|
| 408 |
+
ATOM 408 CD1 LEU A 82 35.097 -6.853 -27.051 1.00 85.64 C
|
| 409 |
+
ATOM 409 CD2 LEU A 82 34.300 -9.133 -26.470 1.00 85.64 C
|
| 410 |
+
ATOM 410 N THR A 83 32.305 -7.112 -21.664 1.00 82.52 N
|
| 411 |
+
ATOM 411 CA THR A 83 32.463 -6.742 -20.240 1.00 82.52 C
|
| 412 |
+
ATOM 412 C THR A 83 33.594 -5.739 -19.954 1.00 82.52 C
|
| 413 |
+
ATOM 413 CB THR A 83 32.525 -7.975 -19.316 1.00 82.52 C
|
| 414 |
+
ATOM 414 O THR A 83 34.061 -5.608 -18.824 1.00 82.52 O
|
| 415 |
+
ATOM 415 CG2 THR A 83 31.304 -8.879 -19.486 1.00 82.52 C
|
| 416 |
+
ATOM 416 OG1 THR A 83 33.666 -8.769 -19.555 1.00 82.52 O
|
| 417 |
+
ATOM 417 N ASN A 84 34.034 -4.983 -20.966 1.00 85.34 N
|
| 418 |
+
ATOM 418 CA ASN A 84 35.079 -3.972 -20.822 1.00 85.34 C
|
| 419 |
+
ATOM 419 C ASN A 84 34.473 -2.622 -20.409 1.00 85.34 C
|
| 420 |
+
ATOM 420 CB ASN A 84 35.932 -3.904 -22.097 1.00 85.34 C
|
| 421 |
+
ATOM 421 O ASN A 84 34.348 -1.693 -21.211 1.00 85.34 O
|
| 422 |
+
ATOM 422 CG ASN A 84 37.161 -3.029 -21.903 1.00 85.34 C
|
| 423 |
+
ATOM 423 ND2 ASN A 84 37.919 -2.812 -22.950 1.00 85.34 N
|
| 424 |
+
ATOM 424 OD1 ASN A 84 37.465 -2.536 -20.827 1.00 85.34 O
|
| 425 |
+
ATOM 425 N PHE A 85 34.058 -2.533 -19.148 1.00 83.40 N
|
| 426 |
+
ATOM 426 CA PHE A 85 33.334 -1.379 -18.612 1.00 83.40 C
|
| 427 |
+
ATOM 427 C PHE A 85 34.113 -0.048 -18.635 1.00 83.40 C
|
| 428 |
+
ATOM 428 CB PHE A 85 32.818 -1.712 -17.207 1.00 83.40 C
|
| 429 |
+
ATOM 429 O PHE A 85 33.511 0.955 -19.025 1.00 83.40 O
|
| 430 |
+
ATOM 430 CG PHE A 85 32.008 -2.993 -17.123 1.00 83.40 C
|
| 431 |
+
ATOM 431 CD1 PHE A 85 30.892 -3.180 -17.959 1.00 83.40 C
|
| 432 |
+
ATOM 432 CD2 PHE A 85 32.372 -4.009 -16.221 1.00 83.40 C
|
| 433 |
+
ATOM 433 CE1 PHE A 85 30.125 -4.354 -17.880 1.00 83.40 C
|
| 434 |
+
ATOM 434 CE2 PHE A 85 31.617 -5.194 -16.153 1.00 83.40 C
|
| 435 |
+
ATOM 435 CZ PHE A 85 30.488 -5.362 -16.973 1.00 83.40 C
|
| 436 |
+
ATOM 436 N PRO A 86 35.422 0.010 -18.303 1.00 85.97 N
|
| 437 |
+
ATOM 437 CA PRO A 86 36.168 1.271 -18.328 1.00 85.97 C
|
| 438 |
+
ATOM 438 C PRO A 86 36.233 1.890 -19.727 1.00 85.97 C
|
| 439 |
+
ATOM 439 CB PRO A 86 37.571 0.936 -17.802 1.00 85.97 C
|
| 440 |
+
ATOM 440 O PRO A 86 35.980 3.083 -19.901 1.00 85.97 O
|
| 441 |
+
ATOM 441 CG PRO A 86 37.351 -0.321 -16.965 1.00 85.97 C
|
| 442 |
+
ATOM 442 CD PRO A 86 36.253 -1.045 -17.735 1.00 85.97 C
|
| 443 |
+
ATOM 443 N GLU A 87 36.516 1.068 -20.740 1.00 85.83 N
|
| 444 |
+
ATOM 444 CA GLU A 87 36.585 1.539 -22.123 1.00 85.83 C
|
| 445 |
+
ATOM 445 C GLU A 87 35.195 1.892 -22.652 1.00 85.83 C
|
| 446 |
+
ATOM 446 CB GLU A 87 37.261 0.472 -22.994 1.00 85.83 C
|
| 447 |
+
ATOM 447 O GLU A 87 35.029 2.915 -23.313 1.00 85.83 O
|
| 448 |
+
ATOM 448 CG GLU A 87 37.530 0.918 -24.440 1.00 85.83 C
|
| 449 |
+
ATOM 449 CD GLU A 87 38.440 2.150 -24.581 1.00 85.83 C
|
| 450 |
+
ATOM 450 OE1 GLU A 87 38.452 2.708 -25.703 1.00 85.83 O
|
| 451 |
+
ATOM 451 OE2 GLU A 87 39.103 2.551 -23.601 1.00 85.83 O
|
| 452 |
+
ATOM 452 N MET A 88 34.172 1.103 -22.305 1.00 86.50 N
|
| 453 |
+
ATOM 453 CA MET A 88 32.783 1.422 -22.635 1.00 86.50 C
|
| 454 |
+
ATOM 454 C MET A 88 32.397 2.820 -22.141 1.00 86.50 C
|
| 455 |
+
ATOM 455 CB MET A 88 31.854 0.380 -22.006 1.00 86.50 C
|
| 456 |
+
ATOM 456 O MET A 88 31.814 3.599 -22.895 1.00 86.50 O
|
| 457 |
+
ATOM 457 CG MET A 88 30.422 0.515 -22.527 1.00 86.50 C
|
| 458 |
+
ATOM 458 SD MET A 88 29.178 0.856 -21.260 1.00 86.50 S
|
| 459 |
+
ATOM 459 CE MET A 88 29.415 -0.594 -20.216 1.00 86.50 C
|
| 460 |
+
ATOM 460 N MET A 89 32.782 3.160 -20.910 1.00 85.52 N
|
| 461 |
+
ATOM 461 CA MET A 89 32.467 4.450 -20.312 1.00 85.52 C
|
| 462 |
+
ATOM 462 C MET A 89 33.228 5.606 -20.964 1.00 85.52 C
|
| 463 |
+
ATOM 463 CB MET A 89 32.743 4.368 -18.806 1.00 85.52 C
|
| 464 |
+
ATOM 464 O MET A 89 32.667 6.682 -21.176 1.00 85.52 O
|
| 465 |
+
ATOM 465 CG MET A 89 32.100 5.536 -18.069 1.00 85.52 C
|
| 466 |
+
ATOM 466 SD MET A 89 30.321 5.671 -18.385 1.00 85.52 S
|
| 467 |
+
ATOM 467 CE MET A 89 29.948 6.949 -17.196 1.00 85.52 C
|
| 468 |
+
ATOM 468 N ASN A 90 34.485 5.381 -21.349 1.00 88.55 N
|
| 469 |
+
ATOM 469 CA ASN A 90 35.264 6.351 -22.115 1.00 88.55 C
|
| 470 |
+
ATOM 470 C ASN A 90 34.608 6.643 -23.480 1.00 88.55 C
|
| 471 |
+
ATOM 471 CB ASN A 90 36.694 5.803 -22.252 1.00 88.55 C
|
| 472 |
+
ATOM 472 O ASN A 90 34.398 7.802 -23.846 1.00 88.55 O
|
| 473 |
+
ATOM 473 CG ASN A 90 37.668 6.833 -22.787 1.00 88.55 C
|
| 474 |
+
ATOM 474 ND2 ASN A 90 38.765 6.384 -23.348 1.00 88.55 N
|
| 475 |
+
ATOM 475 OD1 ASN A 90 37.469 8.032 -22.690 1.00 88.55 O
|
| 476 |
+
ATOM 476 N ARG A 91 34.176 5.594 -24.196 1.00 87.49 N
|
| 477 |
+
ATOM 477 CA ARG A 91 33.432 5.732 -25.463 1.00 87.49 C
|
| 478 |
+
ATOM 478 C ARG A 91 32.077 6.390 -25.279 1.00 87.49 C
|
| 479 |
+
ATOM 479 CB ARG A 91 33.265 4.368 -26.154 1.00 87.49 C
|
| 480 |
+
ATOM 480 O ARG A 91 31.671 7.176 -26.130 1.00 87.49 O
|
| 481 |
+
ATOM 481 CG ARG A 91 34.591 3.692 -26.517 1.00 87.49 C
|
| 482 |
+
ATOM 482 CD ARG A 91 35.496 4.592 -27.353 1.00 87.49 C
|
| 483 |
+
ATOM 483 NE ARG A 91 36.830 4.008 -27.457 1.00 87.49 N
|
| 484 |
+
ATOM 484 NH1 ARG A 91 37.599 5.364 -29.117 1.00 87.49 N
|
| 485 |
+
ATOM 485 NH2 ARG A 91 38.874 3.702 -28.307 1.00 87.49 N
|
| 486 |
+
ATOM 486 CZ ARG A 91 37.761 4.365 -28.302 1.00 87.49 C
|
| 487 |
+
ATOM 487 N TYR A 92 31.399 6.127 -24.168 1.00 89.31 N
|
| 488 |
+
ATOM 488 CA TYR A 92 30.141 6.791 -23.865 1.00 89.31 C
|
| 489 |
+
ATOM 489 C TYR A 92 30.324 8.286 -23.601 1.00 89.31 C
|
| 490 |
+
ATOM 490 CB TYR A 92 29.435 6.096 -22.705 1.00 89.31 C
|
| 491 |
+
ATOM 491 O TYR A 92 29.628 9.095 -24.211 1.00 89.31 O
|
| 492 |
+
ATOM 492 CG TYR A 92 28.068 6.691 -22.464 1.00 89.31 C
|
| 493 |
+
ATOM 493 CD1 TYR A 92 27.734 7.233 -21.208 1.00 89.31 C
|
| 494 |
+
ATOM 494 CD2 TYR A 92 27.131 6.717 -23.516 1.00 89.31 C
|
| 495 |
+
ATOM 495 CE1 TYR A 92 26.443 7.750 -20.995 1.00 89.31 C
|
| 496 |
+
ATOM 496 CE2 TYR A 92 25.856 7.263 -23.317 1.00 89.31 C
|
| 497 |
+
ATOM 497 OH TYR A 92 24.229 8.182 -21.873 1.00 89.31 O
|
| 498 |
+
ATOM 498 CZ TYR A 92 25.501 7.755 -22.050 1.00 89.31 C
|
| 499 |
+
ATOM 499 N LYS A 93 31.318 8.676 -22.793 1.00 87.96 N
|
| 500 |
+
ATOM 500 CA LYS A 93 31.687 10.089 -22.600 1.00 87.96 C
|
| 501 |
+
ATOM 501 C LYS A 93 32.008 10.758 -23.938 1.00 87.96 C
|
| 502 |
+
ATOM 502 CB LYS A 93 32.853 10.204 -21.597 1.00 87.96 C
|
| 503 |
+
ATOM 503 O LYS A 93 31.530 11.861 -24.187 1.00 87.96 O
|
| 504 |
+
ATOM 504 CG LYS A 93 32.366 9.939 -20.163 1.00 87.96 C
|
| 505 |
+
ATOM 505 CD LYS A 93 33.478 9.856 -19.099 1.00 87.96 C
|
| 506 |
+
ATOM 506 CE LYS A 93 32.810 9.423 -17.777 1.00 87.96 C
|
| 507 |
+
ATOM 507 NZ LYS A 93 33.740 9.014 -16.689 1.00 87.96 N
|
| 508 |
+
ATOM 508 N GLN A 94 32.725 10.069 -24.832 1.00 86.17 N
|
| 509 |
+
ATOM 509 CA GLN A 94 32.990 10.554 -26.189 1.00 86.17 C
|
| 510 |
+
ATOM 510 C GLN A 94 31.695 10.742 -26.999 1.00 86.17 C
|
| 511 |
+
ATOM 511 CB GLN A 94 33.988 9.614 -26.885 1.00 86.17 C
|
| 512 |
+
ATOM 512 O GLN A 94 31.504 11.817 -27.570 1.00 86.17 O
|
| 513 |
+
ATOM 513 CG GLN A 94 34.560 10.223 -28.174 1.00 86.17 C
|
| 514 |
+
ATOM 514 CD GLN A 94 35.613 9.337 -28.845 1.00 86.17 C
|
| 515 |
+
ATOM 515 NE2 GLN A 94 36.346 9.870 -29.799 1.00 86.17 N
|
| 516 |
+
ATOM 516 OE1 GLN A 94 35.799 8.165 -28.546 1.00 86.17 O
|
| 517 |
+
ATOM 517 N LEU A 95 30.781 9.762 -26.990 1.00 87.26 N
|
| 518 |
+
ATOM 518 CA LEU A 95 29.474 9.829 -27.662 1.00 87.26 C
|
| 519 |
+
ATOM 519 C LEU A 95 28.636 11.006 -27.163 1.00 87.26 C
|
| 520 |
+
ATOM 520 CB LEU A 95 28.739 8.485 -27.475 1.00 87.26 C
|
| 521 |
+
ATOM 521 O LEU A 95 28.041 11.723 -27.968 1.00 87.26 O
|
| 522 |
+
ATOM 522 CG LEU A 95 27.383 8.396 -28.213 1.00 87.26 C
|
| 523 |
+
ATOM 523 CD1 LEU A 95 27.056 6.949 -28.578 1.00 87.26 C
|
| 524 |
+
ATOM 524 CD2 LEU A 95 26.201 8.885 -27.362 1.00 87.26 C
|
| 525 |
+
ATOM 525 N LEU A 96 28.629 11.262 -25.854 1.00 84.72 N
|
| 526 |
+
ATOM 526 CA LEU A 96 27.884 12.380 -25.280 1.00 84.72 C
|
| 527 |
+
ATOM 527 C LEU A 96 28.345 13.736 -25.844 1.00 84.72 C
|
| 528 |
+
ATOM 528 CB LEU A 96 27.985 12.348 -23.747 1.00 84.72 C
|
| 529 |
+
ATOM 529 O LEU A 96 27.544 14.661 -25.977 1.00 84.72 O
|
| 530 |
+
ATOM 530 CG LEU A 96 27.245 11.180 -23.065 1.00 84.72 C
|
| 531 |
+
ATOM 531 CD1 LEU A 96 27.557 11.194 -21.575 1.00 84.72 C
|
| 532 |
+
ATOM 532 CD2 LEU A 96 25.731 11.234 -23.250 1.00 84.72 C
|
| 533 |
+
ATOM 533 N THR A 97 29.610 13.849 -26.263 1.00 84.79 N
|
| 534 |
+
ATOM 534 CA THR A 97 30.125 15.075 -26.891 1.00 84.79 C
|
| 535 |
+
ATOM 535 C THR A 97 29.664 15.293 -28.339 1.00 84.79 C
|
| 536 |
+
ATOM 536 CB THR A 97 31.655 15.181 -26.832 1.00 84.79 C
|
| 537 |
+
ATOM 537 O THR A 97 29.860 16.396 -28.855 1.00 84.79 O
|
| 538 |
+
ATOM 538 CG2 THR A 97 32.288 14.853 -25.488 1.00 84.79 C
|
| 539 |
+
ATOM 539 OG1 THR A 97 32.274 14.395 -27.823 1.00 84.79 O
|
| 540 |
+
ATOM 540 N TYR A 98 29.088 14.281 -28.998 1.00 81.95 N
|
| 541 |
+
ATOM 541 CA TYR A 98 28.542 14.370 -30.362 1.00 81.95 C
|
| 542 |
+
ATOM 542 C TYR A 98 27.084 14.853 -30.376 1.00 81.95 C
|
| 543 |
+
ATOM 543 CB TYR A 98 28.647 13.005 -31.058 1.00 81.95 C
|
| 544 |
+
ATOM 544 O TYR A 98 26.642 15.429 -31.368 1.00 81.95 O
|
| 545 |
+
ATOM 545 CG TYR A 98 29.985 12.676 -31.685 1.00 81.95 C
|
| 546 |
+
ATOM 546 CD1 TYR A 98 30.080 12.501 -33.079 1.00 81.95 C
|
| 547 |
+
ATOM 547 CD2 TYR A 98 31.127 12.500 -30.880 1.00 81.95 C
|
| 548 |
+
ATOM 548 CE1 TYR A 98 31.312 12.168 -33.665 1.00 81.95 C
|
| 549 |
+
ATOM 549 CE2 TYR A 98 32.366 12.176 -31.464 1.00 81.95 C
|
| 550 |
+
ATOM 550 OH TYR A 98 33.645 11.714 -33.448 1.00 81.95 O
|
| 551 |
+
ATOM 551 CZ TYR A 98 32.458 12.011 -32.864 1.00 81.95 C
|
| 552 |
+
ATOM 552 N ILE A 99 26.353 14.692 -29.265 1.00 76.21 N
|
| 553 |
+
ATOM 553 CA ILE A 99 24.912 14.991 -29.155 1.00 76.21 C
|
| 554 |
+
ATOM 554 C ILE A 99 24.558 16.428 -29.564 1.00 76.21 C
|
| 555 |
+
ATOM 555 CB ILE A 99 24.438 14.709 -27.707 1.00 76.21 C
|
| 556 |
+
ATOM 556 O ILE A 99 23.461 16.667 -30.058 1.00 76.21 O
|
| 557 |
+
ATOM 557 CG1 ILE A 99 24.505 13.195 -27.418 1.00 76.21 C
|
| 558 |
+
ATOM 558 CG2 ILE A 99 23.018 15.253 -27.435 1.00 76.21 C
|
| 559 |
+
ATOM 559 CD1 ILE A 99 24.330 12.872 -25.934 1.00 76.21 C
|
| 560 |
+
ATOM 560 N ARG A 100 25.454 17.400 -29.344 1.00 72.20 N
|
| 561 |
+
ATOM 561 CA ARG A 100 25.157 18.822 -29.598 1.00 72.20 C
|
| 562 |
+
ATOM 562 C ARG A 100 25.310 19.249 -31.056 1.00 72.20 C
|
| 563 |
+
ATOM 563 CB ARG A 100 26.021 19.735 -28.718 1.00 72.20 C
|
| 564 |
+
ATOM 564 O ARG A 100 24.686 20.232 -31.436 1.00 72.20 O
|
| 565 |
+
ATOM 565 CG ARG A 100 25.776 19.540 -27.218 1.00 72.20 C
|
| 566 |
+
ATOM 566 CD ARG A 100 26.479 20.651 -26.427 1.00 72.20 C
|
| 567 |
+
ATOM 567 NE ARG A 100 26.550 20.315 -24.997 1.00 72.20 N
|
| 568 |
+
ATOM 568 NH1 ARG A 100 27.896 22.043 -24.275 1.00 72.20 N
|
| 569 |
+
ATOM 569 NH2 ARG A 100 27.482 20.307 -22.945 1.00 72.20 N
|
| 570 |
+
ATOM 570 CZ ARG A 100 27.296 20.903 -24.080 1.00 72.20 C
|
| 571 |
+
ATOM 571 N SER A 101 26.187 18.596 -31.818 1.00 75.24 N
|
| 572 |
+
ATOM 572 CA SER A 101 26.633 19.096 -33.127 1.00 75.24 C
|
| 573 |
+
ATOM 573 C SER A 101 26.352 18.139 -34.275 1.00 75.24 C
|
| 574 |
+
ATOM 574 CB SER A 101 28.132 19.421 -33.086 1.00 75.24 C
|
| 575 |
+
ATOM 575 O SER A 101 26.036 18.592 -35.365 1.00 75.24 O
|
| 576 |
+
ATOM 576 OG SER A 101 28.913 18.275 -32.772 1.00 75.24 O
|
| 577 |
+
ATOM 577 N ALA A 102 26.490 16.836 -34.036 1.00 73.56 N
|
| 578 |
+
ATOM 578 CA ALA A 102 26.567 15.848 -35.104 1.00 73.56 C
|
| 579 |
+
ATOM 579 C ALA A 102 25.210 15.253 -35.491 1.00 73.56 C
|
| 580 |
+
ATOM 580 CB ALA A 102 27.501 14.748 -34.609 1.00 73.56 C
|
| 581 |
+
ATOM 581 O ALA A 102 25.050 14.726 -36.584 1.00 73.56 O
|
| 582 |
+
ATOM 582 N VAL A 103 24.247 15.277 -34.569 1.00 75.31 N
|
| 583 |
+
ATOM 583 CA VAL A 103 22.981 14.557 -34.705 1.00 75.31 C
|
| 584 |
+
ATOM 584 C VAL A 103 21.810 15.401 -34.234 1.00 75.31 C
|
| 585 |
+
ATOM 585 CB VAL A 103 23.004 13.217 -33.951 1.00 75.31 C
|
| 586 |
+
ATOM 586 O VAL A 103 21.946 16.277 -33.379 1.00 75.31 O
|
| 587 |
+
ATOM 587 CG1 VAL A 103 23.932 12.203 -34.627 1.00 75.31 C
|
| 588 |
+
ATOM 588 CG2 VAL A 103 23.403 13.339 -32.473 1.00 75.31 C
|
| 589 |
+
ATOM 589 N THR A 104 20.623 15.100 -34.758 1.00 80.12 N
|
| 590 |
+
ATOM 590 CA THR A 104 19.394 15.756 -34.313 1.00 80.12 C
|
| 591 |
+
ATOM 591 C THR A 104 19.079 15.422 -32.848 1.00 80.12 C
|
| 592 |
+
ATOM 592 CB THR A 104 18.196 15.430 -35.221 1.00 80.12 C
|
| 593 |
+
ATOM 593 O THR A 104 19.431 14.363 -32.310 1.00 80.12 O
|
| 594 |
+
ATOM 594 CG2 THR A 104 18.474 15.667 -36.704 1.00 80.12 C
|
| 595 |
+
ATOM 595 OG1 THR A 104 17.790 14.093 -35.052 1.00 80.12 O
|
| 596 |
+
ATOM 596 N ARG A 105 18.355 16.322 -32.171 1.00 76.18 N
|
| 597 |
+
ATOM 597 CA ARG A 105 17.929 16.138 -30.772 1.00 76.18 C
|
| 598 |
+
ATOM 598 C ARG A 105 17.079 14.875 -30.568 1.00 76.18 C
|
| 599 |
+
ATOM 599 CB ARG A 105 17.186 17.401 -30.321 1.00 76.18 C
|
| 600 |
+
ATOM 600 O ARG A 105 17.221 14.190 -29.561 1.00 76.18 O
|
| 601 |
+
ATOM 601 CG ARG A 105 16.772 17.335 -28.845 1.00 76.18 C
|
| 602 |
+
ATOM 602 CD ARG A 105 16.133 18.661 -28.436 1.00 76.18 C
|
| 603 |
+
ATOM 603 NE ARG A 105 15.541 18.570 -27.093 1.00 76.18 N
|
| 604 |
+
ATOM 604 NH1 ARG A 105 15.406 20.824 -26.651 1.00 76.18 N
|
| 605 |
+
ATOM 605 NH2 ARG A 105 14.675 19.354 -25.160 1.00 76.18 N
|
| 606 |
+
ATOM 606 CZ ARG A 105 15.215 19.581 -26.314 1.00 76.18 C
|
| 607 |
+
ATOM 607 N ASN A 106 16.222 14.547 -31.533 1.00 79.37 N
|
| 608 |
+
ATOM 608 CA ASN A 106 15.375 13.354 -31.467 1.00 79.37 C
|
| 609 |
+
ATOM 609 C ASN A 106 16.194 12.069 -31.645 1.00 79.37 C
|
| 610 |
+
ATOM 610 CB ASN A 106 14.273 13.461 -32.533 1.00 79.37 C
|
| 611 |
+
ATOM 611 O ASN A 106 15.992 11.108 -30.903 1.00 79.37 O
|
| 612 |
+
ATOM 612 CG ASN A 106 13.252 14.545 -32.237 1.00 79.37 C
|
| 613 |
+
ATOM 613 ND2 ASN A 106 12.555 15.015 -33.243 1.00 79.37 N
|
| 614 |
+
ATOM 614 OD1 ASN A 106 13.071 14.990 -31.117 1.00 79.37 O
|
| 615 |
+
ATOM 615 N TYR A 107 17.137 12.055 -32.593 1.00 80.98 N
|
| 616 |
+
ATOM 616 CA TYR A 107 17.985 10.890 -32.843 1.00 80.98 C
|
| 617 |
+
ATOM 617 C TYR A 107 18.944 10.614 -31.675 1.00 80.98 C
|
| 618 |
+
ATOM 618 CB TYR A 107 18.748 11.099 -34.152 1.00 80.98 C
|
| 619 |
+
ATOM 619 O TYR A 107 19.115 9.463 -31.258 1.00 80.98 O
|
| 620 |
+
ATOM 620 CG TYR A 107 19.588 9.901 -34.526 1.00 80.98 C
|
| 621 |
+
ATOM 621 CD1 TYR A 107 20.977 9.925 -34.315 1.00 80.98 C
|
| 622 |
+
ATOM 622 CD2 TYR A 107 18.986 8.762 -35.095 1.00 80.98 C
|
| 623 |
+
ATOM 623 CE1 TYR A 107 21.765 8.833 -34.705 1.00 80.98 C
|
| 624 |
+
ATOM 624 CE2 TYR A 107 19.766 7.636 -35.419 1.00 80.98 C
|
| 625 |
+
ATOM 625 OH TYR A 107 21.941 6.601 -35.520 1.00 80.98 O
|
| 626 |
+
ATOM 626 CZ TYR A 107 21.160 7.673 -35.226 1.00 80.98 C
|
| 627 |
+
ATOM 627 N SER A 108 19.509 11.669 -31.078 1.00 81.13 N
|
| 628 |
+
ATOM 628 CA SER A 108 20.291 11.547 -29.842 1.00 81.13 C
|
| 629 |
+
ATOM 629 C SER A 108 19.447 11.038 -28.670 1.00 81.13 C
|
| 630 |
+
ATOM 630 CB SER A 108 20.993 12.854 -29.474 1.00 81.13 C
|
| 631 |
+
ATOM 631 O SER A 108 19.892 10.128 -27.976 1.00 81.13 O
|
| 632 |
+
ATOM 632 OG SER A 108 20.109 13.949 -29.498 1.00 81.13 O
|
| 633 |
+
ATOM 633 N GLU A 109 18.215 11.523 -28.478 1.00 80.96 N
|
| 634 |
+
ATOM 634 CA GLU A 109 17.313 11.020 -27.429 1.00 80.96 C
|
| 635 |
+
ATOM 635 C GLU A 109 16.953 9.540 -27.620 1.00 80.96 C
|
| 636 |
+
ATOM 636 CB GLU A 109 16.058 11.909 -27.336 1.00 80.96 C
|
| 637 |
+
ATOM 637 O GLU A 109 17.044 8.765 -26.663 1.00 80.96 O
|
| 638 |
+
ATOM 638 CG GLU A 109 15.050 11.425 -26.271 1.00 80.96 C
|
| 639 |
+
ATOM 639 CD GLU A 109 13.941 12.435 -25.925 1.00 80.96 C
|
| 640 |
+
ATOM 640 OE1 GLU A 109 12.979 12.028 -25.223 1.00 80.96 O
|
| 641 |
+
ATOM 641 OE2 GLU A 109 14.082 13.625 -26.286 1.00 80.96 O
|
| 642 |
+
ATOM 642 N LYS A 110 16.595 9.115 -28.840 1.00 83.91 N
|
| 643 |
+
ATOM 643 CA LYS A 110 16.351 7.695 -29.158 1.00 83.91 C
|
| 644 |
+
ATOM 644 C LYS A 110 17.591 6.843 -28.886 1.00 83.91 C
|
| 645 |
+
ATOM 645 CB LYS A 110 15.949 7.530 -30.634 1.00 83.91 C
|
| 646 |
+
ATOM 646 O LYS A 110 17.497 5.790 -28.259 1.00 83.91 O
|
| 647 |
+
ATOM 647 CG LYS A 110 14.505 7.937 -30.980 1.00 83.91 C
|
| 648 |
+
ATOM 648 CD LYS A 110 14.259 7.582 -32.459 1.00 83.91 C
|
| 649 |
+
ATOM 649 CE LYS A 110 12.844 7.865 -32.984 1.00 83.91 C
|
| 650 |
+
ATOM 650 NZ LYS A 110 12.710 7.372 -34.389 1.00 83.91 N
|
| 651 |
+
ATOM 651 N SER A 111 18.760 7.311 -29.318 1.00 83.16 N
|
| 652 |
+
ATOM 652 CA SER A 111 20.014 6.574 -29.152 1.00 83.16 C
|
| 653 |
+
ATOM 653 C SER A 111 20.433 6.451 -27.689 1.00 83.16 C
|
| 654 |
+
ATOM 654 CB SER A 111 21.117 7.217 -29.986 1.00 83.16 C
|
| 655 |
+
ATOM 655 O SER A 111 20.825 5.364 -27.277 1.00 83.16 O
|
| 656 |
+
ATOM 656 OG SER A 111 20.826 6.990 -31.352 1.00 83.16 O
|
| 657 |
+
ATOM 657 N ILE A 112 20.295 7.511 -26.887 1.00 85.61 N
|
| 658 |
+
ATOM 658 CA ILE A 112 20.575 7.456 -25.446 1.00 85.61 C
|
| 659 |
+
ATOM 659 C ILE A 112 19.578 6.535 -24.743 1.00 85.61 C
|
| 660 |
+
ATOM 660 CB ILE A 112 20.567 8.864 -24.820 1.00 85.61 C
|
| 661 |
+
ATOM 661 O ILE A 112 20.013 5.707 -23.954 1.00 85.61 O
|
| 662 |
+
ATOM 662 CG1 ILE A 112 21.702 9.737 -25.394 1.00 85.61 C
|
| 663 |
+
ATOM 663 CG2 ILE A 112 20.722 8.800 -23.289 1.00 85.61 C
|
| 664 |
+
ATOM 664 CD1 ILE A 112 21.431 11.227 -25.167 1.00 85.61 C
|
| 665 |
+
ATOM 665 N ASN A 113 18.277 6.611 -25.053 1.00 82.82 N
|
| 666 |
+
ATOM 666 CA ASN A 113 17.287 5.687 -24.483 1.00 82.82 C
|
| 667 |
+
ATOM 667 C ASN A 113 17.627 4.228 -24.808 1.00 82.82 C
|
| 668 |
+
ATOM 668 CB ASN A 113 15.873 6.032 -24.972 1.00 82.82 C
|
| 669 |
+
ATOM 669 O ASN A 113 17.710 3.420 -23.893 1.00 82.82 O
|
| 670 |
+
ATOM 670 CG ASN A 113 15.254 7.200 -24.232 1.00 82.82 C
|
| 671 |
+
ATOM 671 ND2 ASN A 113 14.735 8.169 -24.947 1.00 82.82 N
|
| 672 |
+
ATOM 672 OD1 ASN A 113 15.200 7.257 -23.014 1.00 82.82 O
|
| 673 |
+
ATOM 673 N SER A 114 17.934 3.913 -26.071 1.00 85.36 N
|
| 674 |
+
ATOM 674 CA SER A 114 18.329 2.559 -26.484 1.00 85.36 C
|
| 675 |
+
ATOM 675 C SER A 114 19.573 2.062 -25.739 1.00 85.36 C
|
| 676 |
+
ATOM 676 CB SER A 114 18.579 2.551 -27.997 1.00 85.36 C
|
| 677 |
+
ATOM 677 O SER A 114 19.620 0.909 -25.314 1.00 85.36 O
|
| 678 |
+
ATOM 678 OG SER A 114 19.014 1.283 -28.463 1.00 85.36 O
|
| 679 |
+
ATOM 679 N ILE A 115 20.578 2.922 -25.538 1.00 86.41 N
|
| 680 |
+
ATOM 680 CA ILE A 115 21.773 2.554 -24.770 1.00 86.41 C
|
| 681 |
+
ATOM 681 C ILE A 115 21.430 2.375 -23.284 1.00 86.41 C
|
| 682 |
+
ATOM 682 CB ILE A 115 22.915 3.572 -24.985 1.00 86.41 C
|
| 683 |
+
ATOM 683 O ILE A 115 21.870 1.399 -22.681 1.00 86.41 O
|
| 684 |
+
ATOM 684 CG1 ILE A 115 23.402 3.620 -26.451 1.00 86.41 C
|
| 685 |
+
ATOM 685 CG2 ILE A 115 24.110 3.170 -24.112 1.00 86.41 C
|
| 686 |
+
ATOM 686 CD1 ILE A 115 24.232 4.876 -26.765 1.00 86.41 C
|
| 687 |
+
ATOM 687 N LEU A 116 20.636 3.274 -22.695 1.00 83.66 N
|
| 688 |
+
ATOM 688 CA LEU A 116 20.200 3.173 -21.301 1.00 83.66 C
|
| 689 |
+
ATOM 689 C LEU A 116 19.394 1.898 -21.061 1.00 83.66 C
|
| 690 |
+
ATOM 690 CB LEU A 116 19.352 4.398 -20.906 1.00 83.66 C
|
| 691 |
+
ATOM 691 O LEU A 116 19.631 1.226 -20.064 1.00 83.66 O
|
| 692 |
+
ATOM 692 CG LEU A 116 20.128 5.709 -20.701 1.00 83.66 C
|
| 693 |
+
ATOM 693 CD1 LEU A 116 19.134 6.853 -20.487 1.00 83.66 C
|
| 694 |
+
ATOM 694 CD2 LEU A 116 21.020 5.652 -19.467 1.00 83.66 C
|
| 695 |
+
ATOM 695 N ASP A 117 18.473 1.549 -21.954 1.00 83.93 N
|
| 696 |
+
ATOM 696 CA ASP A 117 17.658 0.339 -21.850 1.00 83.93 C
|
| 697 |
+
ATOM 697 C ASP A 117 18.527 -0.917 -21.999 1.00 83.93 C
|
| 698 |
+
ATOM 698 CB ASP A 117 16.513 0.393 -22.878 1.00 83.93 C
|
| 699 |
+
ATOM 699 O ASP A 117 18.409 -1.840 -21.193 1.00 83.93 O
|
| 700 |
+
ATOM 700 CG ASP A 117 15.492 1.512 -22.590 1.00 83.93 C
|
| 701 |
+
ATOM 701 OD1 ASP A 117 15.312 1.889 -21.398 1.00 83.93 O
|
| 702 |
+
ATOM 702 OD2 ASP A 117 14.885 2.020 -23.556 1.00 83.93 O
|
| 703 |
+
ATOM 703 N TYR A 118 19.490 -0.911 -22.928 1.00 83.85 N
|
| 704 |
+
ATOM 704 CA TYR A 118 20.447 -2.008 -23.080 1.00 83.85 C
|
| 705 |
+
ATOM 705 C TYR A 118 21.335 -2.180 -21.840 1.00 83.85 C
|
| 706 |
+
ATOM 706 CB TYR A 118 21.285 -1.781 -24.344 1.00 83.85 C
|
| 707 |
+
ATOM 707 O TYR A 118 21.497 -3.292 -21.346 1.00 83.85 O
|
| 708 |
+
ATOM 708 CG TYR A 118 22.182 -2.948 -24.708 1.00 83.85 C
|
| 709 |
+
ATOM 709 CD1 TYR A 118 23.582 -2.833 -24.609 1.00 83.85 C
|
| 710 |
+
ATOM 710 CD2 TYR A 118 21.608 -4.150 -25.169 1.00 83.85 C
|
| 711 |
+
ATOM 711 CE1 TYR A 118 24.402 -3.910 -24.991 1.00 83.85 C
|
| 712 |
+
ATOM 712 CE2 TYR A 118 22.427 -5.238 -25.526 1.00 83.85 C
|
| 713 |
+
ATOM 713 OH TYR A 118 24.634 -6.158 -25.789 1.00 83.85 O
|
| 714 |
+
ATOM 714 CZ TYR A 118 23.827 -5.123 -25.432 1.00 83.85 C
|
| 715 |
+
ATOM 715 N ILE A 119 21.872 -1.094 -21.279 1.00 83.95 N
|
| 716 |
+
ATOM 716 CA ILE A 119 22.736 -1.157 -20.089 1.00 83.95 C
|
| 717 |
+
ATOM 717 C ILE A 119 21.928 -1.464 -18.826 1.00 83.95 C
|
| 718 |
+
ATOM 718 CB ILE A 119 23.582 0.127 -19.966 1.00 83.95 C
|
| 719 |
+
ATOM 719 O ILE A 119 22.455 -2.125 -17.935 1.00 83.95 O
|
| 720 |
+
ATOM 720 CG1 ILE A 119 24.543 0.194 -21.174 1.00 83.95 C
|
| 721 |
+
ATOM 721 CG2 ILE A 119 24.413 0.176 -18.667 1.00 83.95 C
|
| 722 |
+
ATOM 722 CD1 ILE A 119 25.294 1.514 -21.248 1.00 83.95 C
|
| 723 |
+
ATOM 723 N SER A 120 20.648 -1.077 -18.764 1.00 80.53 N
|
| 724 |
+
ATOM 724 CA SER A 120 19.730 -1.414 -17.661 1.00 80.53 C
|
| 725 |
+
ATOM 725 C SER A 120 19.525 -2.920 -17.482 1.00 80.53 C
|
| 726 |
+
ATOM 726 CB SER A 120 18.363 -0.748 -17.847 1.00 80.53 C
|
| 727 |
+
ATOM 727 O SER A 120 19.096 -3.340 -16.412 1.00 80.53 O
|
| 728 |
+
ATOM 728 OG SER A 120 18.478 0.660 -17.791 1.00 80.53 O
|
| 729 |
+
ATOM 729 N THR A 121 19.869 -3.744 -18.478 1.00 82.98 N
|
| 730 |
+
ATOM 730 CA THR A 121 19.902 -5.212 -18.336 1.00 82.98 C
|
| 731 |
+
ATOM 731 C THR A 121 21.057 -5.704 -17.454 1.00 82.98 C
|
| 732 |
+
ATOM 732 CB THR A 121 19.995 -5.912 -19.700 1.00 82.98 C
|
| 733 |
+
ATOM 733 O THR A 121 21.042 -6.836 -16.966 1.00 82.98 O
|
| 734 |
+
ATOM 734 CG2 THR A 121 18.897 -5.475 -20.668 1.00 82.98 C
|
| 735 |
+
ATOM 735 OG1 THR A 121 21.250 -5.689 -20.303 1.00 82.98 O
|
| 736 |
+
ATOM 736 N SER A 122 22.069 -4.862 -17.227 1.00 81.43 N
|
| 737 |
+
ATOM 737 CA SER A 122 23.212 -5.188 -16.386 1.00 81.43 C
|
| 738 |
+
ATOM 738 C SER A 122 22.821 -5.259 -14.917 1.00 81.43 C
|
| 739 |
+
ATOM 739 CB SER A 122 24.320 -4.151 -16.541 1.00 81.43 C
|
| 740 |
+
ATOM 740 O SER A 122 22.167 -4.372 -14.378 1.00 81.43 O
|
| 741 |
+
ATOM 741 OG SER A 122 25.490 -4.589 -15.867 1.00 81.43 O
|
| 742 |
+
ATOM 742 N LYS A 123 23.338 -6.274 -14.223 1.00 77.85 N
|
| 743 |
+
ATOM 743 CA LYS A 123 23.243 -6.378 -12.759 1.00 77.85 C
|
| 744 |
+
ATOM 744 C LYS A 123 24.270 -5.498 -12.035 1.00 77.85 C
|
| 745 |
+
ATOM 745 CB LYS A 123 23.339 -7.851 -12.334 1.00 77.85 C
|
| 746 |
+
ATOM 746 O LYS A 123 24.243 -5.412 -10.809 1.00 77.85 O
|
| 747 |
+
ATOM 747 CG LYS A 123 22.189 -8.687 -12.920 1.00 77.85 C
|
| 748 |
+
ATOM 748 CD LYS A 123 22.252 -10.140 -12.438 1.00 77.85 C
|
| 749 |
+
ATOM 749 CE LYS A 123 21.089 -10.919 -13.065 1.00 77.85 C
|
| 750 |
+
ATOM 750 NZ LYS A 123 21.081 -12.343 -12.649 1.00 77.85 N
|
| 751 |
+
ATOM 751 N GLN A 124 25.203 -4.868 -12.758 1.00 80.41 N
|
| 752 |
+
ATOM 752 CA GLN A 124 26.226 -4.016 -12.153 1.00 80.41 C
|
| 753 |
+
ATOM 753 C GLN A 124 25.671 -2.632 -11.830 1.00 80.41 C
|
| 754 |
+
ATOM 754 CB GLN A 124 27.491 -3.932 -13.012 1.00 80.41 C
|
| 755 |
+
ATOM 755 O GLN A 124 25.677 -1.715 -12.648 1.00 80.41 O
|
| 756 |
+
ATOM 756 CG GLN A 124 28.209 -5.289 -13.100 1.00 80.41 C
|
| 757 |
+
ATOM 757 CD GLN A 124 29.728 -5.154 -13.136 1.00 80.41 C
|
| 758 |
+
ATOM 758 NE2 GLN A 124 30.454 -6.198 -12.801 1.00 80.41 N
|
| 759 |
+
ATOM 759 OE1 GLN A 124 30.298 -4.121 -13.431 1.00 80.41 O
|
| 760 |
+
ATOM 760 N MET A 125 25.214 -2.486 -10.593 1.00 79.51 N
|
| 761 |
+
ATOM 761 CA MET A 125 24.578 -1.264 -10.120 1.00 79.51 C
|
| 762 |
+
ATOM 762 C MET A 125 25.540 -0.054 -10.049 1.00 79.51 C
|
| 763 |
+
ATOM 763 CB MET A 125 23.960 -1.561 -8.756 1.00 79.51 C
|
| 764 |
+
ATOM 764 O MET A 125 25.096 1.070 -10.263 1.00 79.51 O
|
| 765 |
+
ATOM 765 CG MET A 125 22.878 -2.631 -8.671 1.00 79.51 C
|
| 766 |
+
ATOM 766 SD MET A 125 22.428 -2.915 -6.935 1.00 79.51 S
|
| 767 |
+
ATOM 767 CE MET A 125 21.014 -1.790 -6.781 1.00 79.51 C
|
| 768 |
+
ATOM 768 N ASP A 126 26.845 -0.249 -9.800 1.00 84.57 N
|
| 769 |
+
ATOM 769 CA ASP A 126 27.824 0.861 -9.768 1.00 84.57 C
|
| 770 |
+
ATOM 770 C ASP A 126 28.062 1.450 -11.159 1.00 84.57 C
|
| 771 |
+
ATOM 771 CB ASP A 126 29.167 0.396 -9.178 1.00 84.57 C
|
| 772 |
+
ATOM 772 O ASP A 126 28.080 2.666 -11.336 1.00 84.57 O
|
| 773 |
+
ATOM 773 CG ASP A 126 29.068 0.083 -7.688 1.00 84.57 C
|
| 774 |
+
ATOM 774 OD1 ASP A 126 28.296 0.792 -6.997 1.00 84.57 O
|
| 775 |
+
ATOM 775 OD2 ASP A 126 29.675 -0.919 -7.263 1.00 84.57 O
|
| 776 |
+
ATOM 776 N LEU A 127 28.161 0.573 -12.161 1.00 84.01 N
|
| 777 |
+
ATOM 777 CA LEU A 127 28.250 0.959 -13.563 1.00 84.01 C
|
| 778 |
+
ATOM 778 C LEU A 127 26.999 1.723 -14.001 1.00 84.01 C
|
| 779 |
+
ATOM 779 CB LEU A 127 28.422 -0.323 -14.385 1.00 84.01 C
|
| 780 |
+
ATOM 780 O LEU A 127 27.110 2.756 -14.655 1.00 84.01 O
|
| 781 |
+
ATOM 781 CG LEU A 127 28.504 -0.088 -15.900 1.00 84.01 C
|
| 782 |
+
ATOM 782 CD1 LEU A 127 29.788 0.649 -16.278 1.00 84.01 C
|
| 783 |
+
ATOM 783 CD2 LEU A 127 28.445 -1.460 -16.562 1.00 84.01 C
|
| 784 |
+
ATOM 784 N LEU A 128 25.814 1.231 -13.620 1.00 84.74 N
|
| 785 |
+
ATOM 785 CA LEU A 128 24.551 1.914 -13.892 1.00 84.74 C
|
| 786 |
+
ATOM 786 C LEU A 128 24.535 3.313 -13.279 1.00 84.74 C
|
| 787 |
+
ATOM 787 CB LEU A 128 23.375 1.080 -13.353 1.00 84.74 C
|
| 788 |
+
ATOM 788 O LEU A 128 24.166 4.262 -13.966 1.00 84.74 O
|
| 789 |
+
ATOM 789 CG LEU A 128 22.993 -0.103 -14.250 1.00 84.74 C
|
| 790 |
+
ATOM 790 CD1 LEU A 128 22.010 -1.016 -13.520 1.00 84.74 C
|
| 791 |
+
ATOM 791 CD2 LEU A 128 22.300 0.394 -15.515 1.00 84.74 C
|
| 792 |
+
ATOM 792 N GLN A 129 24.967 3.456 -12.024 1.00 85.04 N
|
| 793 |
+
ATOM 793 CA GLN A 129 25.049 4.758 -11.368 1.00 85.04 C
|
| 794 |
+
ATOM 794 C GLN A 129 25.969 5.716 -12.141 1.00 85.04 C
|
| 795 |
+
ATOM 795 CB GLN A 129 25.509 4.586 -9.911 1.00 85.04 C
|
| 796 |
+
ATOM 796 O GLN A 129 25.533 6.820 -12.468 1.00 85.04 O
|
| 797 |
+
ATOM 797 CG GLN A 129 25.350 5.894 -9.118 1.00 85.04 C
|
| 798 |
+
ATOM 798 CD GLN A 129 26.111 5.885 -7.797 1.00 85.04 C
|
| 799 |
+
ATOM 799 NE2 GLN A 129 26.711 6.992 -7.408 1.00 85.04 N
|
| 800 |
+
ATOM 800 OE1 GLN A 129 26.186 4.901 -7.075 1.00 85.04 O
|
| 801 |
+
ATOM 801 N GLU A 130 27.194 5.298 -12.487 1.00 86.28 N
|
| 802 |
+
ATOM 802 CA GLU A 130 28.136 6.149 -13.236 1.00 86.28 C
|
| 803 |
+
ATOM 803 C GLU A 130 27.563 6.538 -14.608 1.00 86.28 C
|
| 804 |
+
ATOM 804 CB GLU A 130 29.496 5.438 -13.419 1.00 86.28 C
|
| 805 |
+
ATOM 805 O GLU A 130 27.667 7.692 -15.039 1.00 86.28 O
|
| 806 |
+
ATOM 806 CG GLU A 130 30.637 6.461 -13.612 1.00 86.28 C
|
| 807 |
+
ATOM 807 CD GLU A 130 31.919 5.905 -14.268 1.00 86.28 C
|
| 808 |
+
ATOM 808 OE1 GLU A 130 32.634 6.717 -14.927 1.00 86.28 O
|
| 809 |
+
ATOM 809 OE2 GLU A 130 32.183 4.691 -14.128 1.00 86.28 O
|
| 810 |
+
ATOM 810 N PHE A 131 26.907 5.585 -15.278 1.00 86.06 N
|
| 811 |
+
ATOM 811 CA PHE A 131 26.274 5.792 -16.573 1.00 86.06 C
|
| 812 |
+
ATOM 812 C PHE A 131 25.144 6.819 -16.486 1.00 86.06 C
|
| 813 |
+
ATOM 813 CB PHE A 131 25.787 4.449 -17.127 1.00 86.06 C
|
| 814 |
+
ATOM 814 O PHE A 131 25.119 7.779 -17.260 1.00 86.06 O
|
| 815 |
+
ATOM 815 CG PHE A 131 25.588 4.502 -18.619 1.00 86.06 C
|
| 816 |
+
ATOM 816 CD1 PHE A 131 24.365 4.930 -19.159 1.00 86.06 C
|
| 817 |
+
ATOM 817 CD2 PHE A 131 26.670 4.197 -19.462 1.00 86.06 C
|
| 818 |
+
ATOM 818 CE1 PHE A 131 24.222 5.055 -20.551 1.00 86.06 C
|
| 819 |
+
ATOM 819 CE2 PHE A 131 26.528 4.319 -20.850 1.00 86.06 C
|
| 820 |
+
ATOM 820 CZ PHE A 131 25.309 4.758 -21.386 1.00 86.06 C
|
| 821 |
+
ATOM 821 N TYR A 132 24.237 6.668 -15.520 1.00 87.08 N
|
| 822 |
+
ATOM 822 CA TYR A 132 23.142 7.606 -15.292 1.00 87.08 C
|
| 823 |
+
ATOM 823 C TYR A 132 23.653 9.000 -14.916 1.00 87.08 C
|
| 824 |
+
ATOM 824 CB TYR A 132 22.200 7.060 -14.211 1.00 87.08 C
|
| 825 |
+
ATOM 825 O TYR A 132 23.215 9.972 -15.524 1.00 87.08 O
|
| 826 |
+
ATOM 826 CG TYR A 132 21.273 5.938 -14.651 1.00 87.08 C
|
| 827 |
+
ATOM 827 CD1 TYR A 132 20.409 6.152 -15.736 1.00 87.08 C
|
| 828 |
+
ATOM 828 CD2 TYR A 132 21.225 4.710 -13.963 1.00 87.08 C
|
| 829 |
+
ATOM 829 CE1 TYR A 132 19.511 5.153 -16.146 1.00 87.08 C
|
| 830 |
+
ATOM 830 CE2 TYR A 132 20.367 3.680 -14.402 1.00 87.08 C
|
| 831 |
+
ATOM 831 OH TYR A 132 18.657 2.950 -15.946 1.00 87.08 O
|
| 832 |
+
ATOM 832 CZ TYR A 132 19.511 3.904 -15.500 1.00 87.08 C
|
| 833 |
+
ATOM 833 N GLU A 133 24.603 9.120 -13.986 1.00 87.40 N
|
| 834 |
+
ATOM 834 CA GLU A 133 25.169 10.414 -13.570 1.00 87.40 C
|
| 835 |
+
ATOM 835 C GLU A 133 25.836 11.150 -14.739 1.00 87.40 C
|
| 836 |
+
ATOM 836 CB GLU A 133 26.177 10.204 -12.428 1.00 87.40 C
|
| 837 |
+
ATOM 837 O GLU A 133 25.541 12.321 -14.985 1.00 87.40 O
|
| 838 |
+
ATOM 838 CG GLU A 133 25.481 9.880 -11.095 1.00 87.40 C
|
| 839 |
+
ATOM 839 CD GLU A 133 26.457 9.603 -9.937 1.00 87.40 C
|
| 840 |
+
ATOM 840 OE1 GLU A 133 25.964 9.433 -8.796 1.00 87.40 O
|
| 841 |
+
ATOM 841 OE2 GLU A 133 27.686 9.551 -10.145 1.00 87.40 O
|
| 842 |
+
ATOM 842 N THR A 134 26.653 10.444 -15.524 1.00 86.79 N
|
| 843 |
+
ATOM 843 CA THR A 134 27.334 11.019 -16.696 1.00 86.79 C
|
| 844 |
+
ATOM 844 C THR A 134 26.334 11.414 -17.786 1.00 86.79 C
|
| 845 |
+
ATOM 845 CB THR A 134 28.345 10.014 -17.258 1.00 86.79 C
|
| 846 |
+
ATOM 846 O THR A 134 26.469 12.464 -18.417 1.00 86.79 O
|
| 847 |
+
ATOM 847 CG2 THR A 134 29.212 10.584 -18.374 1.00 86.79 C
|
| 848 |
+
ATOM 848 OG1 THR A 134 29.248 9.627 -16.250 1.00 86.79 O
|
| 849 |
+
ATOM 849 N THR A 135 25.289 10.604 -17.988 1.00 86.30 N
|
| 850 |
+
ATOM 850 CA THR A 135 24.196 10.936 -18.912 1.00 86.30 C
|
| 851 |
+
ATOM 851 C THR A 135 23.482 12.207 -18.466 1.00 86.30 C
|
| 852 |
+
ATOM 852 CB THR A 135 23.162 9.804 -19.002 1.00 86.30 C
|
| 853 |
+
ATOM 853 O THR A 135 23.243 13.099 -19.274 1.00 86.30 O
|
| 854 |
+
ATOM 854 CG2 THR A 135 22.137 10.057 -20.101 1.00 86.30 C
|
| 855 |
+
ATOM 855 OG1 THR A 135 23.766 8.584 -19.329 1.00 86.30 O
|
| 856 |
+
ATOM 856 N LEU A 136 23.153 12.319 -17.179 1.00 84.76 N
|
| 857 |
+
ATOM 857 CA LEU A 136 22.432 13.461 -16.624 1.00 84.76 C
|
| 858 |
+
ATOM 858 C LEU A 136 23.222 14.764 -16.721 1.00 84.76 C
|
| 859 |
+
ATOM 859 CB LEU A 136 22.080 13.155 -15.163 1.00 84.76 C
|
| 860 |
+
ATOM 860 O LEU A 136 22.630 15.798 -17.035 1.00 84.76 O
|
| 861 |
+
ATOM 861 CG LEU A 136 20.937 12.141 -15.014 1.00 84.76 C
|
| 862 |
+
ATOM 862 CD1 LEU A 136 20.805 11.767 -13.543 1.00 84.76 C
|
| 863 |
+
ATOM 863 CD2 LEU A 136 19.631 12.721 -15.549 1.00 84.76 C
|
| 864 |
+
ATOM 864 N GLU A 137 24.535 14.717 -16.498 1.00 84.62 N
|
| 865 |
+
ATOM 865 CA GLU A 137 25.421 15.869 -16.677 1.00 84.62 C
|
| 866 |
+
ATOM 866 C GLU A 137 25.409 16.353 -18.136 1.00 84.62 C
|
| 867 |
+
ATOM 867 CB GLU A 137 26.826 15.495 -16.177 1.00 84.62 C
|
| 868 |
+
ATOM 868 O GLU A 137 25.160 17.531 -18.398 1.00 84.62 O
|
| 869 |
+
ATOM 869 CG GLU A 137 27.765 16.709 -16.130 1.00 84.62 C
|
| 870 |
+
ATOM 870 CD GLU A 137 29.084 16.423 -15.391 1.00 84.62 C
|
| 871 |
+
ATOM 871 OE1 GLU A 137 29.700 17.408 -14.923 1.00 84.62 O
|
| 872 |
+
ATOM 872 OE2 GLU A 137 29.468 15.236 -15.284 1.00 84.62 O
|
| 873 |
+
ATOM 873 N ALA A 138 25.535 15.436 -19.100 1.00 81.78 N
|
| 874 |
+
ATOM 874 CA ALA A 138 25.469 15.782 -20.520 1.00 81.78 C
|
| 875 |
+
ATOM 875 C ALA A 138 24.080 16.280 -20.966 1.00 81.78 C
|
| 876 |
+
ATOM 876 CB ALA A 138 25.911 14.564 -21.329 1.00 81.78 C
|
| 877 |
+
ATOM 877 O ALA A 138 23.984 17.201 -21.784 1.00 81.78 O
|
| 878 |
+
ATOM 878 N LEU A 139 22.997 15.702 -20.432 1.00 80.14 N
|
| 879 |
+
ATOM 879 CA LEU A 139 21.620 16.093 -20.759 1.00 80.14 C
|
| 880 |
+
ATOM 880 C LEU A 139 21.232 17.455 -20.186 1.00 80.14 C
|
| 881 |
+
ATOM 881 CB LEU A 139 20.633 15.039 -20.240 1.00 80.14 C
|
| 882 |
+
ATOM 882 O LEU A 139 20.473 18.183 -20.834 1.00 80.14 O
|
| 883 |
+
ATOM 883 CG LEU A 139 20.633 13.711 -21.009 1.00 80.14 C
|
| 884 |
+
ATOM 884 CD1 LEU A 139 19.662 12.772 -20.299 1.00 80.14 C
|
| 885 |
+
ATOM 885 CD2 LEU A 139 20.199 13.864 -22.464 1.00 80.14 C
|
| 886 |
+
ATOM 886 N LYS A 140 21.751 17.805 -19.003 1.00 75.71 N
|
| 887 |
+
ATOM 887 CA LYS A 140 21.533 19.118 -18.385 1.00 75.71 C
|
| 888 |
+
ATOM 888 C LYS A 140 22.054 20.230 -19.290 1.00 75.71 C
|
| 889 |
+
ATOM 889 CB LYS A 140 22.203 19.137 -17.006 1.00 75.71 C
|
| 890 |
+
ATOM 890 O LYS A 140 21.360 21.219 -19.513 1.00 75.71 O
|
| 891 |
+
ATOM 891 CG LYS A 140 21.886 20.431 -16.247 1.00 75.71 C
|
| 892 |
+
ATOM 892 CD LYS A 140 22.531 20.402 -14.862 1.00 75.71 C
|
| 893 |
+
ATOM 893 CE LYS A 140 22.197 21.700 -14.125 1.00 75.71 C
|
| 894 |
+
ATOM 894 NZ LYS A 140 22.852 21.734 -12.797 1.00 75.71 N
|
| 895 |
+
ATOM 895 N ASP A 141 23.223 20.028 -19.886 1.00 74.60 N
|
| 896 |
+
ATOM 896 CA ASP A 141 23.776 20.990 -20.834 1.00 74.60 C
|
| 897 |
+
ATOM 897 C ASP A 141 23.044 21.000 -22.187 1.00 74.60 C
|
| 898 |
+
ATOM 898 CB ASP A 141 25.233 20.665 -21.100 1.00 74.60 C
|
| 899 |
+
ATOM 899 O ASP A 141 22.984 22.033 -22.855 1.00 74.60 O
|
| 900 |
+
ATOM 900 CG ASP A 141 26.216 20.883 -19.954 1.00 74.60 C
|
| 901 |
+
ATOM 901 OD1 ASP A 141 25.834 21.512 -18.944 1.00 74.60 O
|
| 902 |
+
ATOM 902 OD2 ASP A 141 27.389 20.522 -20.206 1.00 74.60 O
|
| 903 |
+
ATOM 903 N ALA A 142 22.480 19.863 -22.608 1.00 72.80 N
|
| 904 |
+
ATOM 904 CA ALA A 142 21.723 19.739 -23.857 1.00 72.80 C
|
| 905 |
+
ATOM 905 C ALA A 142 20.283 20.293 -23.776 1.00 72.80 C
|
| 906 |
+
ATOM 906 CB ALA A 142 21.750 18.269 -24.300 1.00 72.80 C
|
| 907 |
+
ATOM 907 O ALA A 142 19.566 20.269 -24.778 1.00 72.80 O
|
| 908 |
+
ATOM 908 N LYS A 143 19.842 20.780 -22.603 1.00 71.50 N
|
| 909 |
+
ATOM 909 CA LYS A 143 18.470 21.262 -22.335 1.00 71.50 C
|
| 910 |
+
ATOM 910 C LYS A 143 17.383 20.245 -22.720 1.00 71.50 C
|
| 911 |
+
ATOM 911 CB LYS A 143 18.229 22.643 -22.976 1.00 71.50 C
|
| 912 |
+
ATOM 912 O LYS A 143 16.333 20.623 -23.255 1.00 71.50 O
|
| 913 |
+
ATOM 913 CG LYS A 143 19.179 23.740 -22.478 1.00 71.50 C
|
| 914 |
+
ATOM 914 CD LYS A 143 18.768 25.087 -23.087 1.00 71.50 C
|
| 915 |
+
ATOM 915 CE LYS A 143 19.662 26.206 -22.548 1.00 71.50 C
|
| 916 |
+
ATOM 916 NZ LYS A 143 19.235 27.532 -23.062 1.00 71.50 N
|
| 917 |
+
ATOM 917 N ASN A 144 17.637 18.946 -22.506 1.00 74.93 N
|
| 918 |
+
ATOM 918 CA ASN A 144 16.654 17.898 -22.788 1.00 74.93 C
|
| 919 |
+
ATOM 919 C ASN A 144 15.864 17.453 -21.553 1.00 74.93 C
|
| 920 |
+
ATOM 920 CB ASN A 144 17.219 16.748 -23.649 1.00 74.93 C
|
| 921 |
+
ATOM 921 O ASN A 144 16.083 16.365 -21.026 1.00 74.93 O
|
| 922 |
+
ATOM 922 CG ASN A 144 16.083 15.997 -24.345 1.00 74.93 C
|
| 923 |
+
ATOM 923 ND2 ASN A 144 16.363 15.032 -25.185 1.00 74.93 N
|
| 924 |
+
ATOM 924 OD1 ASN A 144 14.916 16.338 -24.198 1.00 74.93 O
|
| 925 |
+
ATOM 925 N ASP A 145 14.910 18.287 -21.133 1.00 77.79 N
|
| 926 |
+
ATOM 926 CA ASP A 145 14.137 18.109 -19.895 1.00 77.79 C
|
| 927 |
+
ATOM 927 C ASP A 145 13.398 16.765 -19.817 1.00 77.79 C
|
| 928 |
+
ATOM 928 CB ASP A 145 13.121 19.256 -19.755 1.00 77.79 C
|
| 929 |
+
ATOM 929 O ASP A 145 13.369 16.136 -18.762 1.00 77.79 O
|
| 930 |
+
ATOM 930 CG ASP A 145 13.765 20.645 -19.773 1.00 77.79 C
|
| 931 |
+
ATOM 931 OD1 ASP A 145 14.939 20.753 -19.356 1.00 77.79 O
|
| 932 |
+
ATOM 932 OD2 ASP A 145 13.097 21.563 -20.292 1.00 77.79 O
|
| 933 |
+
ATOM 933 N ARG A 146 12.836 16.274 -20.933 1.00 81.11 N
|
| 934 |
+
ATOM 934 CA ARG A 146 12.068 15.015 -20.958 1.00 81.11 C
|
| 935 |
+
ATOM 935 C ARG A 146 12.944 13.805 -20.648 1.00 81.11 C
|
| 936 |
+
ATOM 936 CB ARG A 146 11.377 14.851 -22.322 1.00 81.11 C
|
| 937 |
+
ATOM 937 O ARG A 146 12.596 12.987 -19.794 1.00 81.11 O
|
| 938 |
+
ATOM 938 CG ARG A 146 10.453 13.621 -22.348 1.00 81.11 C
|
| 939 |
+
ATOM 939 CD ARG A 146 9.873 13.423 -23.750 1.00 81.11 C
|
| 940 |
+
ATOM 940 NE ARG A 146 8.839 12.366 -23.769 1.00 81.11 N
|
| 941 |
+
ATOM 941 NH1 ARG A 146 8.649 12.248 -26.050 1.00 81.11 N
|
| 942 |
+
ATOM 942 NH2 ARG A 146 7.355 10.953 -24.780 1.00 81.11 N
|
| 943 |
+
ATOM 943 CZ ARG A 146 8.289 11.862 -24.861 1.00 81.11 C
|
| 944 |
+
ATOM 944 N LEU A 147 14.061 13.676 -21.361 1.00 80.61 N
|
| 945 |
+
ATOM 945 CA LEU A 147 14.996 12.575 -21.158 1.00 80.61 C
|
| 946 |
+
ATOM 946 C LEU A 147 15.714 12.717 -19.813 1.00 80.61 C
|
| 947 |
+
ATOM 947 CB LEU A 147 15.974 12.522 -22.340 1.00 80.61 C
|
| 948 |
+
ATOM 948 O LEU A 147 15.891 11.724 -19.108 1.00 80.61 O
|
| 949 |
+
ATOM 949 CG LEU A 147 16.960 11.344 -22.254 1.00 80.61 C
|
| 950 |
+
ATOM 950 CD1 LEU A 147 16.259 9.994 -22.210 1.00 80.61 C
|
| 951 |
+
ATOM 951 CD2 LEU A 147 17.909 11.350 -23.448 1.00 80.61 C
|
| 952 |
+
ATOM 952 N TRP A 148 16.061 13.946 -19.427 1.00 85.90 N
|
| 953 |
+
ATOM 953 CA TRP A 148 16.645 14.252 -18.125 1.00 85.90 C
|
| 954 |
+
ATOM 954 C TRP A 148 15.726 13.805 -16.980 1.00 85.90 C
|
| 955 |
+
ATOM 955 CB TRP A 148 16.951 15.752 -18.068 1.00 85.90 C
|
| 956 |
+
ATOM 956 O TRP A 148 16.193 13.139 -16.057 1.00 85.90 O
|
| 957 |
+
ATOM 957 CG TRP A 148 17.555 16.223 -16.788 1.00 85.90 C
|
| 958 |
+
ATOM 958 CD1 TRP A 148 18.877 16.307 -16.518 1.00 85.90 C
|
| 959 |
+
ATOM 959 CD2 TRP A 148 16.865 16.644 -15.574 1.00 85.90 C
|
| 960 |
+
ATOM 960 CE2 TRP A 148 17.849 16.980 -14.594 1.00 85.90 C
|
| 961 |
+
ATOM 961 CE3 TRP A 148 15.511 16.725 -15.189 1.00 85.90 C
|
| 962 |
+
ATOM 962 NE1 TRP A 148 19.056 16.753 -15.224 1.00 85.90 N
|
| 963 |
+
ATOM 963 CH2 TRP A 148 16.147 17.390 -12.929 1.00 85.90 C
|
| 964 |
+
ATOM 964 CZ2 TRP A 148 17.506 17.350 -13.286 1.00 85.90 C
|
| 965 |
+
ATOM 965 CZ3 TRP A 148 15.158 17.075 -13.876 1.00 85.90 C
|
| 966 |
+
ATOM 966 N PHE A 149 14.419 14.074 -17.071 1.00 86.77 N
|
| 967 |
+
ATOM 967 CA PHE A 149 13.436 13.637 -16.078 1.00 86.77 C
|
| 968 |
+
ATOM 968 C PHE A 149 13.380 12.108 -15.987 1.00 86.77 C
|
| 969 |
+
ATOM 969 CB PHE A 149 12.059 14.230 -16.408 1.00 86.77 C
|
| 970 |
+
ATOM 970 O PHE A 149 13.627 11.548 -14.923 1.00 86.77 O
|
| 971 |
+
ATOM 971 CG PHE A 149 11.019 13.905 -15.357 1.00 86.77 C
|
| 972 |
+
ATOM 972 CD1 PHE A 149 10.286 12.703 -15.416 1.00 86.77 C
|
| 973 |
+
ATOM 973 CD2 PHE A 149 10.822 14.790 -14.284 1.00 86.77 C
|
| 974 |
+
ATOM 974 CE1 PHE A 149 9.397 12.366 -14.381 1.00 86.77 C
|
| 975 |
+
ATOM 975 CE2 PHE A 149 9.931 14.451 -13.256 1.00 86.77 C
|
| 976 |
+
ATOM 976 CZ PHE A 149 9.238 13.229 -13.287 1.00 86.77 C
|
| 977 |
+
ATOM 977 N LYS A 150 13.153 11.414 -17.113 1.00 85.86 N
|
| 978 |
+
ATOM 978 CA LYS A 150 13.094 9.938 -17.153 1.00 85.86 C
|
| 979 |
+
ATOM 979 C LYS A 150 14.353 9.284 -16.580 1.00 85.86 C
|
| 980 |
+
ATOM 980 CB LYS A 150 12.910 9.460 -18.598 1.00 85.86 C
|
| 981 |
+
ATOM 981 O LYS A 150 14.264 8.312 -15.831 1.00 85.86 O
|
| 982 |
+
ATOM 982 CG LYS A 150 11.501 9.697 -19.153 1.00 85.86 C
|
| 983 |
+
ATOM 983 CD LYS A 150 11.455 9.151 -20.585 1.00 85.86 C
|
| 984 |
+
ATOM 984 CE LYS A 150 10.052 9.228 -21.189 1.00 85.86 C
|
| 985 |
+
ATOM 985 NZ LYS A 150 10.041 8.571 -22.522 1.00 85.86 N
|
| 986 |
+
ATOM 986 N THR A 151 15.519 9.821 -16.932 1.00 86.59 N
|
| 987 |
+
ATOM 987 CA THR A 151 16.824 9.312 -16.494 1.00 86.59 C
|
| 988 |
+
ATOM 988 C THR A 151 17.021 9.530 -14.993 1.00 86.59 C
|
| 989 |
+
ATOM 989 CB THR A 151 17.949 9.975 -17.303 1.00 86.59 C
|
| 990 |
+
ATOM 990 O THR A 151 17.425 8.604 -14.293 1.00 86.59 O
|
| 991 |
+
ATOM 991 CG2 THR A 151 19.314 9.349 -17.065 1.00 86.59 C
|
| 992 |
+
ATOM 992 OG1 THR A 151 17.705 9.805 -18.679 1.00 86.59 O
|
| 993 |
+
ATOM 993 N ASN A 152 16.654 10.703 -14.465 1.00 89.89 N
|
| 994 |
+
ATOM 994 CA ASN A 152 16.677 10.966 -13.023 1.00 89.89 C
|
| 995 |
+
ATOM 995 C ASN A 152 15.703 10.076 -12.255 1.00 89.89 C
|
| 996 |
+
ATOM 996 CB ASN A 152 16.317 12.423 -12.744 1.00 89.89 C
|
| 997 |
+
ATOM 997 O ASN A 152 16.055 9.586 -11.189 1.00 89.89 O
|
| 998 |
+
ATOM 998 CG ASN A 152 17.513 13.327 -12.753 1.00 89.89 C
|
| 999 |
+
ATOM 999 ND2 ASN A 152 17.544 14.240 -13.676 1.00 89.89 N
|
| 1000 |
+
ATOM 1000 OD1 ASN A 152 18.406 13.232 -11.934 1.00 89.89 O
|
| 1001 |
+
ATOM 1001 N THR A 153 14.503 9.832 -12.784 1.00 89.65 N
|
| 1002 |
+
ATOM 1002 CA THR A 153 13.530 8.931 -12.156 1.00 89.65 C
|
| 1003 |
+
ATOM 1003 C THR A 153 14.068 7.498 -12.100 1.00 89.65 C
|
| 1004 |
+
ATOM 1004 CB THR A 153 12.181 8.995 -12.890 1.00 89.65 C
|
| 1005 |
+
ATOM 1005 O THR A 153 13.951 6.848 -11.061 1.00 89.65 O
|
| 1006 |
+
ATOM 1006 CG2 THR A 153 11.080 8.190 -12.204 1.00 89.65 C
|
| 1007 |
+
ATOM 1007 OG1 THR A 153 11.733 10.325 -12.902 1.00 89.65 O
|
| 1008 |
+
ATOM 1008 N LYS A 154 14.717 7.007 -13.171 1.00 88.05 N
|
| 1009 |
+
ATOM 1009 CA LYS A 154 15.405 5.699 -13.174 1.00 88.05 C
|
| 1010 |
+
ATOM 1010 C LYS A 154 16.545 5.653 -12.146 1.00 88.05 C
|
| 1011 |
+
ATOM 1011 CB LYS A 154 15.929 5.347 -14.583 1.00 88.05 C
|
| 1012 |
+
ATOM 1012 O LYS A 154 16.610 4.711 -11.361 1.00 88.05 O
|
| 1013 |
+
ATOM 1013 CG LYS A 154 14.846 4.898 -15.588 1.00 88.05 C
|
| 1014 |
+
ATOM 1014 CD LYS A 154 15.493 4.473 -16.925 1.00 88.05 C
|
| 1015 |
+
ATOM 1015 CE LYS A 154 14.506 3.913 -17.971 1.00 88.05 C
|
| 1016 |
+
ATOM 1016 NZ LYS A 154 15.220 3.376 -19.170 1.00 88.05 N
|
| 1017 |
+
ATOM 1017 N LEU A 155 17.388 6.688 -12.085 1.00 89.53 N
|
| 1018 |
+
ATOM 1018 CA LEU A 155 18.458 6.788 -11.085 1.00 89.53 C
|
| 1019 |
+
ATOM 1019 C LEU A 155 17.907 6.875 -9.649 1.00 89.53 C
|
| 1020 |
+
ATOM 1020 CB LEU A 155 19.348 7.993 -11.439 1.00 89.53 C
|
| 1021 |
+
ATOM 1021 O LEU A 155 18.461 6.278 -8.730 1.00 89.53 O
|
| 1022 |
+
ATOM 1022 CG LEU A 155 20.565 8.174 -10.511 1.00 89.53 C
|
| 1023 |
+
ATOM 1023 CD1 LEU A 155 21.465 6.943 -10.446 1.00 89.53 C
|
| 1024 |
+
ATOM 1024 CD2 LEU A 155 21.407 9.362 -10.979 1.00 89.53 C
|
| 1025 |
+
ATOM 1025 N GLY A 156 16.783 7.564 -9.449 1.00 92.25 N
|
| 1026 |
+
ATOM 1026 CA GLY A 156 16.077 7.622 -8.172 1.00 92.25 C
|
| 1027 |
+
ATOM 1027 C GLY A 156 15.577 6.248 -7.721 1.00 92.25 C
|
| 1028 |
+
ATOM 1028 O GLY A 156 15.782 5.874 -6.569 1.00 92.25 O
|
| 1029 |
+
ATOM 1029 N LYS A 157 14.996 5.455 -8.631 1.00 89.91 N
|
| 1030 |
+
ATOM 1030 CA LYS A 157 14.616 4.058 -8.349 1.00 89.91 C
|
| 1031 |
+
ATOM 1031 C LYS A 157 15.828 3.210 -7.959 1.00 89.91 C
|
| 1032 |
+
ATOM 1032 CB LYS A 157 13.889 3.442 -9.552 1.00 89.91 C
|
| 1033 |
+
ATOM 1033 O LYS A 157 15.761 2.501 -6.962 1.00 89.91 O
|
| 1034 |
+
ATOM 1034 CG LYS A 157 12.484 4.029 -9.728 1.00 89.91 C
|
| 1035 |
+
ATOM 1035 CD LYS A 157 11.815 3.486 -10.993 1.00 89.91 C
|
| 1036 |
+
ATOM 1036 CE LYS A 157 10.427 4.118 -11.152 1.00 89.91 C
|
| 1037 |
+
ATOM 1037 NZ LYS A 157 9.721 3.589 -12.346 1.00 89.91 N
|
| 1038 |
+
ATOM 1038 N LEU A 158 16.954 3.368 -8.658 1.00 88.25 N
|
| 1039 |
+
ATOM 1039 CA LEU A 158 18.202 2.679 -8.314 1.00 88.25 C
|
| 1040 |
+
ATOM 1040 C LEU A 158 18.694 3.046 -6.902 1.00 88.25 C
|
| 1041 |
+
ATOM 1041 CB LEU A 158 19.260 3.009 -9.385 1.00 88.25 C
|
| 1042 |
+
ATOM 1042 O LEU A 158 19.098 2.172 -6.138 1.00 88.25 O
|
| 1043 |
+
ATOM 1043 CG LEU A 158 20.578 2.229 -9.228 1.00 88.25 C
|
| 1044 |
+
ATOM 1044 CD1 LEU A 158 20.404 0.747 -9.559 1.00 88.25 C
|
| 1045 |
+
ATOM 1045 CD2 LEU A 158 21.636 2.809 -10.168 1.00 88.25 C
|
| 1046 |
+
ATOM 1046 N TYR A 159 18.638 4.326 -6.517 1.00 92.09 N
|
| 1047 |
+
ATOM 1047 CA TYR A 159 19.006 4.738 -5.158 1.00 92.09 C
|
| 1048 |
+
ATOM 1048 C TYR A 159 18.031 4.266 -4.088 1.00 92.09 C
|
| 1049 |
+
ATOM 1049 CB TYR A 159 19.173 6.260 -5.066 1.00 92.09 C
|
| 1050 |
+
ATOM 1050 O TYR A 159 18.460 4.005 -2.965 1.00 92.09 O
|
| 1051 |
+
ATOM 1051 CG TYR A 159 20.413 6.816 -5.729 1.00 92.09 C
|
| 1052 |
+
ATOM 1052 CD1 TYR A 159 21.624 6.100 -5.675 1.00 92.09 C
|
| 1053 |
+
ATOM 1053 CD2 TYR A 159 20.378 8.088 -6.332 1.00 92.09 C
|
| 1054 |
+
ATOM 1054 CE1 TYR A 159 22.773 6.616 -6.279 1.00 92.09 C
|
| 1055 |
+
ATOM 1055 CE2 TYR A 159 21.549 8.625 -6.907 1.00 92.09 C
|
| 1056 |
+
ATOM 1056 OH TYR A 159 23.905 8.347 -7.385 1.00 92.09 O
|
| 1057 |
+
ATOM 1057 CZ TYR A 159 22.738 7.872 -6.898 1.00 92.09 C
|
| 1058 |
+
ATOM 1058 N LEU A 160 16.748 4.144 -4.420 1.00 90.41 N
|
| 1059 |
+
ATOM 1059 CA LEU A 160 15.758 3.560 -3.525 1.00 90.41 C
|
| 1060 |
+
ATOM 1060 C LEU A 160 16.054 2.075 -3.273 1.00 90.41 C
|
| 1061 |
+
ATOM 1061 CB LEU A 160 14.364 3.791 -4.128 1.00 90.41 C
|
| 1062 |
+
ATOM 1062 O LEU A 160 16.059 1.658 -2.120 1.00 90.41 O
|
| 1063 |
+
ATOM 1063 CG LEU A 160 13.218 3.266 -3.253 1.00 90.41 C
|
| 1064 |
+
ATOM 1064 CD1 LEU A 160 13.070 4.053 -1.947 1.00 90.41 C
|
| 1065 |
+
ATOM 1065 CD2 LEU A 160 11.918 3.382 -4.040 1.00 90.41 C
|
| 1066 |
+
ATOM 1066 N GLU A 161 16.371 1.307 -4.319 1.00 88.60 N
|
| 1067 |
+
ATOM 1067 CA GLU A 161 16.755 -0.111 -4.211 1.00 88.60 C
|
| 1068 |
+
ATOM 1068 C GLU A 161 18.048 -0.319 -3.408 1.00 88.60 C
|
| 1069 |
+
ATOM 1069 CB GLU A 161 16.937 -0.700 -5.618 1.00 88.60 C
|
| 1070 |
+
ATOM 1070 O GLU A 161 18.190 -1.322 -2.714 1.00 88.60 O
|
| 1071 |
+
ATOM 1071 CG GLU A 161 15.606 -0.894 -6.362 1.00 88.60 C
|
| 1072 |
+
ATOM 1072 CD GLU A 161 15.797 -1.326 -7.827 1.00 88.60 C
|
| 1073 |
+
ATOM 1073 OE1 GLU A 161 14.782 -1.304 -8.561 1.00 88.60 O
|
| 1074 |
+
ATOM 1074 OE2 GLU A 161 16.944 -1.650 -8.216 1.00 88.60 O
|
| 1075 |
+
ATOM 1075 N ARG A 162 18.981 0.641 -3.466 1.00 89.36 N
|
| 1076 |
+
ATOM 1076 CA ARG A 162 20.224 0.644 -2.670 1.00 89.36 C
|
| 1077 |
+
ATOM 1077 C ARG A 162 20.060 1.175 -1.245 1.00 89.36 C
|
| 1078 |
+
ATOM 1078 CB ARG A 162 21.309 1.446 -3.403 1.00 89.36 C
|
| 1079 |
+
ATOM 1079 O ARG A 162 21.048 1.244 -0.519 1.00 89.36 O
|
| 1080 |
+
ATOM 1080 CG ARG A 162 21.804 0.730 -4.655 1.00 89.36 C
|
| 1081 |
+
ATOM 1081 CD ARG A 162 22.921 1.538 -5.323 1.00 89.36 C
|
| 1082 |
+
ATOM 1082 NE ARG A 162 23.743 0.661 -6.163 1.00 89.36 N
|
| 1083 |
+
ATOM 1083 NH1 ARG A 162 25.595 2.035 -6.484 1.00 89.36 N
|
| 1084 |
+
ATOM 1084 NH2 ARG A 162 25.749 -0.092 -6.871 1.00 89.36 N
|
| 1085 |
+
ATOM 1085 CZ ARG A 162 24.993 0.890 -6.520 1.00 89.36 C
|
| 1086 |
+
TER 1086 ARG A 162
|
| 1087 |
+
END
|
6a73/6a73_af2_holo_ligand.sdf
ADDED
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
|
| 2 |
+
RDKit 3D
|
| 3 |
+
|
| 4 |
+
36 36 0 0 0 0 0 0 0 0999 V2000
|
| 5 |
+
19.5321 -4.4198 -29.5983 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 6 |
+
19.2093 -3.6280 -30.8431 P 0 0 0 0 0 0 0 0 0 0 0 0
|
| 7 |
+
18.7034 -4.5630 -31.9175 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 8 |
+
18.1628 -2.5745 -30.5581 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 9 |
+
20.5569 -2.8743 -31.4032 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 10 |
+
20.4517 -2.5374 -32.7541 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 11 |
+
20.6458 -1.0261 -32.9576 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 12 |
+
19.7104 -0.3148 -32.1817 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 13 |
+
20.2218 0.6730 -30.9571 P 0 0 0 0 0 0 0 0 0 0 0 0
|
| 14 |
+
19.6088 0.2026 -29.6584 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 15 |
+
21.7275 0.6182 -30.8354 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 16 |
+
19.7979 2.1007 -31.2286 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 17 |
+
20.4811 -0.6204 -34.4407 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 18 |
+
21.1010 0.6488 -34.5668 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 19 |
+
20.4611 1.9140 -35.4250 P 0 0 0 0 0 0 0 0 0 0 0 0
|
| 20 |
+
20.2561 1.5030 -36.8625 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 21 |
+
19.1415 2.3512 -34.8328 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 22 |
+
21.4079 3.0952 -35.3959 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 23 |
+
21.1029 -1.6176 -35.4422 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 24 |
+
22.4460 -1.1850 -35.6274 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 25 |
+
23.1410 -0.8190 -37.0933 P 0 0 0 0 0 0 0 0 0 0 0 0
|
| 26 |
+
23.5278 -2.0985 -37.7941 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 27 |
+
22.1948 -0.0395 -37.9748 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 28 |
+
24.4010 -0.0053 -36.8887 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 29 |
+
21.0547 -3.1202 -35.0434 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 30 |
+
21.7842 -3.8052 -36.0388 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 31 |
+
20.9640 -4.1809 -37.4394 P 0 0 0 0 0 0 0 0 0 0 0 0
|
| 32 |
+
20.4215 -5.5866 -37.3340 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 33 |
+
19.7980 -3.2415 -37.6528 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 34 |
+
21.8624 -4.0834 -38.6535 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 35 |
+
21.4464 -3.3601 -33.5855 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 36 |
+
21.3020 -4.7172 -33.3181 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 37 |
+
22.7398 -5.4868 -33.1285 P 0 0 0 0 0 0 0 0 0 0 0 0
|
| 38 |
+
22.5452 -6.7208 -32.2840 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 39 |
+
23.7172 -4.5624 -32.4380 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 40 |
+
23.2802 -5.8533 -34.4924 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 41 |
+
13 7 1 0
|
| 42 |
+
13 19 1 0
|
| 43 |
+
13 14 1 0
|
| 44 |
+
7 6 1 0
|
| 45 |
+
7 8 1 0
|
| 46 |
+
6 31 1 0
|
| 47 |
+
6 5 1 0
|
| 48 |
+
31 25 1 0
|
| 49 |
+
31 32 1 0
|
| 50 |
+
25 19 1 0
|
| 51 |
+
25 26 1 0
|
| 52 |
+
19 20 1 0
|
| 53 |
+
14 15 1 0
|
| 54 |
+
15 17 1 0
|
| 55 |
+
15 16 2 0
|
| 56 |
+
15 18 1 0
|
| 57 |
+
8 9 1 0
|
| 58 |
+
9 11 1 0
|
| 59 |
+
9 12 1 0
|
| 60 |
+
9 10 2 0
|
| 61 |
+
5 2 1 0
|
| 62 |
+
2 1 2 0
|
| 63 |
+
2 3 1 0
|
| 64 |
+
2 4 1 0
|
| 65 |
+
32 33 1 0
|
| 66 |
+
33 34 2 0
|
| 67 |
+
33 35 1 0
|
| 68 |
+
33 36 1 0
|
| 69 |
+
26 27 1 0
|
| 70 |
+
27 28 2 0
|
| 71 |
+
27 29 1 0
|
| 72 |
+
27 30 1 0
|
| 73 |
+
20 21 1 0
|
| 74 |
+
21 23 1 0
|
| 75 |
+
21 22 2 0
|
| 76 |
+
21 24 1 0
|
| 77 |
+
M END
|
| 78 |
+
$$$$
|
6a73/6a73_af2_holo_protein.pdb
ADDED
|
The diff for this file is too large to render.
See raw diff
|
|
|
6agt/6agt_af2_apo_protein.pdb
ADDED
|
The diff for this file is too large to render.
See raw diff
|
|
|
6agt/6agt_af2_holo_ligand.sdf
ADDED
|
@@ -0,0 +1,50 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
|
| 2 |
+
RDKit 3D
|
| 3 |
+
|
| 4 |
+
21 23 0 0 0 0 0 0 0 0999 V2000
|
| 5 |
+
-1.9160 1.2020 7.5261 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 6 |
+
-2.4130 1.9952 8.2659 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 7 |
+
-3.2438 1.6150 9.1907 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 8 |
+
-3.6728 0.2951 9.4493 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 9 |
+
-5.1857 0.3204 9.2743 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 10 |
+
-5.5590 0.8860 7.9293 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 11 |
+
-7.0296 1.0146 7.8197 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 12 |
+
-7.6410 -0.3362 7.9894 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 13 |
+
-7.1922 -0.8675 9.3468 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 14 |
+
-5.7351 -1.0149 9.3751 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 15 |
+
-2.1038 3.3608 8.1666 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 16 |
+
-1.2395 3.8344 7.2141 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 17 |
+
-1.0197 5.1816 7.1087 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 18 |
+
-0.2733 5.6167 6.2684 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 19 |
+
-1.6828 6.0140 7.9658 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 20 |
+
-1.5236 7.3601 7.9040 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 21 |
+
-2.2136 8.1908 8.7423 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 22 |
+
-3.0882 7.6842 9.6658 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 23 |
+
-3.2443 6.3377 9.7383 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 24 |
+
-2.5624 5.5192 8.8790 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 25 |
+
-2.7242 4.2266 8.9692 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 26 |
+
21 20 1 0
|
| 27 |
+
20 19 1 0
|
| 28 |
+
20 15 2 0
|
| 29 |
+
4 5 1 0
|
| 30 |
+
5 6 1 0
|
| 31 |
+
5 10 1 0
|
| 32 |
+
3 4 1 0
|
| 33 |
+
6 7 1 0
|
| 34 |
+
7 8 1 0
|
| 35 |
+
9 8 1 0
|
| 36 |
+
10 9 1 0
|
| 37 |
+
2 3 1 0
|
| 38 |
+
2 1 2 0
|
| 39 |
+
11 2 1 0
|
| 40 |
+
11 21 1 0
|
| 41 |
+
11 12 2 0
|
| 42 |
+
19 18 2 0
|
| 43 |
+
18 17 1 0
|
| 44 |
+
17 16 2 0
|
| 45 |
+
16 15 1 0
|
| 46 |
+
15 13 1 0
|
| 47 |
+
13 14 2 0
|
| 48 |
+
13 12 1 0
|
| 49 |
+
M END
|
| 50 |
+
$$$$
|
6agt/6agt_af2_holo_protein.pdb
ADDED
|
The diff for this file is too large to render.
See raw diff
|
|
|
6ahs/6ahs_af2_apo_protein.pdb
ADDED
|
The diff for this file is too large to render.
See raw diff
|
|
|
6ahs/6ahs_af2_holo_ligand.sdf
ADDED
|
@@ -0,0 +1,61 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
|
| 2 |
+
RDKit 3D
|
| 3 |
+
|
| 4 |
+
26 29 0 0 0 0 0 0 0 0999 V2000
|
| 5 |
+
6.0372 4.6540 1.2321 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 6 |
+
5.7799 6.1258 1.3383 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 7 |
+
5.0499 6.7662 0.5228 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 8 |
+
4.9854 8.2077 0.8284 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 9 |
+
5.2705 9.0558 -0.3661 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 10 |
+
4.2809 9.7900 -1.0196 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 11 |
+
4.9244 10.2382 -2.1308 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 12 |
+
4.1605 11.2050 -3.2771 S 0 0 0 0 0 0 0 0 0 0 0 0
|
| 13 |
+
5.0681 12.1948 -3.7968 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 14 |
+
3.0719 11.9170 -2.6873 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 15 |
+
3.6189 10.3074 -4.5216 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 16 |
+
4.2354 10.4234 -5.7690 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 17 |
+
3.8198 9.6297 -6.8341 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 18 |
+
2.7843 8.7216 -6.6636 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 19 |
+
2.1595 8.6018 -5.4322 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 20 |
+
2.5534 9.4047 -4.3755 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 21 |
+
1.6792 9.2373 -2.8265 Cl 0 0 0 0 0 0 0 0 0 0 0 0
|
| 22 |
+
6.1333 9.6113 -2.3206 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 23 |
+
7.1119 9.6085 -3.3043 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 24 |
+
8.2655 8.8338 -3.1436 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 25 |
+
8.4504 8.0565 -1.9993 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 26 |
+
9.6907 7.2233 -1.8398 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 27 |
+
7.4628 8.0264 -1.0219 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 28 |
+
6.3032 8.7643 -1.2218 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 29 |
+
6.0492 8.2995 1.9643 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 30 |
+
6.3647 6.9035 2.2168 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 31 |
+
8 11 1 0
|
| 32 |
+
11 12 2 0
|
| 33 |
+
11 16 1 0
|
| 34 |
+
12 13 1 0
|
| 35 |
+
13 14 2 0
|
| 36 |
+
5 4 1 0
|
| 37 |
+
4 3 1 0
|
| 38 |
+
4 25 1 0
|
| 39 |
+
3 2 2 0
|
| 40 |
+
2 26 1 0
|
| 41 |
+
2 1 1 0
|
| 42 |
+
21 22 1 0
|
| 43 |
+
8 9 2 0
|
| 44 |
+
8 10 2 0
|
| 45 |
+
7 8 1 0
|
| 46 |
+
16 17 1 0
|
| 47 |
+
16 15 2 0
|
| 48 |
+
15 14 1 0
|
| 49 |
+
6 7 1 0
|
| 50 |
+
18 7 1 0
|
| 51 |
+
5 6 2 0
|
| 52 |
+
18 19 2 0
|
| 53 |
+
24 18 1 0
|
| 54 |
+
19 20 1 0
|
| 55 |
+
23 24 2 0
|
| 56 |
+
24 5 1 0
|
| 57 |
+
23 21 1 0
|
| 58 |
+
21 20 2 0
|
| 59 |
+
25 26 1 0
|
| 60 |
+
M END
|
| 61 |
+
$$$$
|
6ahs/6ahs_af2_holo_protein.pdb
ADDED
|
The diff for this file is too large to render.
See raw diff
|
|
|
6bqd/6bqd_af2_apo_protein.pdb
ADDED
|
@@ -0,0 +1,1054 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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| 1 |
+
ATOM 1 N ASP A1501 22.536 3.380 -39.642 1.00 71.58 N
|
| 2 |
+
ATOM 2 CA ASP A1501 23.275 3.073 -38.394 1.00 71.58 C
|
| 3 |
+
ATOM 3 C ASP A1501 23.003 1.637 -37.873 1.00 71.58 C
|
| 4 |
+
ATOM 4 CB ASP A1501 23.020 4.152 -37.313 1.00 71.58 C
|
| 5 |
+
ATOM 5 O ASP A1501 23.289 1.337 -36.718 1.00 71.58 O
|
| 6 |
+
ATOM 6 CG ASP A1501 23.265 5.594 -37.779 1.00 71.58 C
|
| 7 |
+
ATOM 7 OD1 ASP A1501 24.352 5.924 -38.308 1.00 71.58 O
|
| 8 |
+
ATOM 8 OD2 ASP A1501 22.316 6.415 -37.782 1.00 71.58 O
|
| 9 |
+
ATOM 9 N ASP A1502 22.411 0.773 -38.708 1.00 79.82 N
|
| 10 |
+
ATOM 10 CA ASP A1502 21.987 -0.598 -38.393 1.00 79.82 C
|
| 11 |
+
ATOM 11 C ASP A1502 22.617 -1.595 -39.387 1.00 79.82 C
|
| 12 |
+
ATOM 12 CB ASP A1502 20.444 -0.655 -38.387 1.00 79.82 C
|
| 13 |
+
ATOM 13 O ASP A1502 22.247 -1.663 -40.569 1.00 79.82 O
|
| 14 |
+
ATOM 14 CG ASP A1502 19.837 -2.039 -38.103 1.00 79.82 C
|
| 15 |
+
ATOM 15 OD1 ASP A1502 20.573 -3.050 -38.140 1.00 79.82 O
|
| 16 |
+
ATOM 16 OD2 ASP A1502 18.600 -2.097 -37.927 1.00 79.82 O
|
| 17 |
+
ATOM 17 N ASP A1503 23.560 -2.400 -38.893 1.00 85.06 N
|
| 18 |
+
ATOM 18 CA ASP A1503 24.295 -3.397 -39.676 1.00 85.06 C
|
| 19 |
+
ATOM 19 C ASP A1503 23.386 -4.487 -40.264 1.00 85.06 C
|
| 20 |
+
ATOM 20 CB ASP A1503 25.376 -4.029 -38.790 1.00 85.06 C
|
| 21 |
+
ATOM 21 O ASP A1503 23.642 -4.989 -41.363 1.00 85.06 O
|
| 22 |
+
ATOM 22 CG ASP A1503 26.383 -2.980 -38.319 1.00 85.06 C
|
| 23 |
+
ATOM 23 OD1 ASP A1503 26.996 -2.343 -39.206 1.00 85.06 O
|
| 24 |
+
ATOM 24 OD2 ASP A1503 26.478 -2.794 -37.087 1.00 85.06 O
|
| 25 |
+
ATOM 25 N GLN A1504 22.272 -4.820 -39.604 1.00 87.07 N
|
| 26 |
+
ATOM 26 CA GLN A1504 21.299 -5.784 -40.116 1.00 87.07 C
|
| 27 |
+
ATOM 27 C GLN A1504 20.559 -5.224 -41.340 1.00 87.07 C
|
| 28 |
+
ATOM 28 CB GLN A1504 20.347 -6.190 -38.980 1.00 87.07 C
|
| 29 |
+
ATOM 29 O GLN A1504 20.246 -5.989 -42.264 1.00 87.07 O
|
| 30 |
+
ATOM 30 CG GLN A1504 19.273 -7.207 -39.378 1.00 87.07 C
|
| 31 |
+
ATOM 31 CD GLN A1504 19.818 -8.576 -39.767 1.00 87.07 C
|
| 32 |
+
ATOM 32 NE2 GLN A1504 19.804 -8.941 -41.032 1.00 87.07 N
|
| 33 |
+
ATOM 33 OE1 GLN A1504 20.213 -9.369 -38.936 1.00 87.07 O
|
| 34 |
+
ATOM 34 N VAL A1505 20.321 -3.910 -41.409 1.00 85.77 N
|
| 35 |
+
ATOM 35 CA VAL A1505 19.782 -3.241 -42.608 1.00 85.77 C
|
| 36 |
+
ATOM 36 C VAL A1505 20.817 -3.241 -43.735 1.00 85.77 C
|
| 37 |
+
ATOM 37 CB VAL A1505 19.278 -1.816 -42.289 1.00 85.77 C
|
| 38 |
+
ATOM 38 O VAL A1505 20.473 -3.610 -44.864 1.00 85.77 O
|
| 39 |
+
ATOM 39 CG1 VAL A1505 18.860 -1.043 -43.550 1.00 85.77 C
|
| 40 |
+
ATOM 40 CG2 VAL A1505 18.051 -1.884 -41.374 1.00 85.77 C
|
| 41 |
+
ATOM 41 N ALA A1506 22.081 -2.919 -43.443 1.00 83.86 N
|
| 42 |
+
ATOM 42 CA ALA A1506 23.166 -2.938 -44.427 1.00 83.86 C
|
| 43 |
+
ATOM 43 C ALA A1506 23.400 -4.346 -45.013 1.00 83.86 C
|
| 44 |
+
ATOM 44 CB ALA A1506 24.428 -2.365 -43.772 1.00 83.86 C
|
| 45 |
+
ATOM 45 O ALA A1506 23.403 -4.519 -46.236 1.00 83.86 O
|
| 46 |
+
ATOM 46 N PHE A1507 23.490 -5.371 -44.161 1.00 90.49 N
|
| 47 |
+
ATOM 47 CA PHE A1507 23.610 -6.781 -44.552 1.00 90.49 C
|
| 48 |
+
ATOM 48 C PHE A1507 22.435 -7.225 -45.435 1.00 90.49 C
|
| 49 |
+
ATOM 49 CB PHE A1507 23.698 -7.619 -43.268 1.00 90.49 C
|
| 50 |
+
ATOM 50 O PHE A1507 22.623 -7.794 -46.513 1.00 90.49 O
|
| 51 |
+
ATOM 51 CG PHE A1507 23.948 -9.098 -43.482 1.00 90.49 C
|
| 52 |
+
ATOM 52 CD1 PHE A1507 22.886 -10.022 -43.425 1.00 90.49 C
|
| 53 |
+
ATOM 53 CD2 PHE A1507 25.260 -9.556 -43.704 1.00 90.49 C
|
| 54 |
+
ATOM 54 CE1 PHE A1507 23.137 -11.393 -43.606 1.00 90.49 C
|
| 55 |
+
ATOM 55 CE2 PHE A1507 25.508 -10.926 -43.889 1.00 90.49 C
|
| 56 |
+
ATOM 56 CZ PHE A1507 24.445 -11.842 -43.851 1.00 90.49 C
|
| 57 |
+
ATOM 57 N SER A1508 21.208 -6.877 -45.036 1.00 90.02 N
|
| 58 |
+
ATOM 58 CA SER A1508 20.000 -7.205 -45.804 1.00 90.02 C
|
| 59 |
+
ATOM 59 C SER A1508 19.965 -6.502 -47.166 1.00 90.02 C
|
| 60 |
+
ATOM 60 CB SER A1508 18.738 -6.855 -45.013 1.00 90.02 C
|
| 61 |
+
ATOM 61 O SER A1508 19.513 -7.092 -48.147 1.00 90.02 O
|
| 62 |
+
ATOM 62 OG SER A1508 18.767 -7.486 -43.749 1.00 90.02 O
|
| 63 |
+
ATOM 63 N PHE A1509 20.475 -5.272 -47.268 1.00 88.29 N
|
| 64 |
+
ATOM 64 CA PHE A1509 20.581 -4.566 -48.546 1.00 88.29 C
|
| 65 |
+
ATOM 65 C PHE A1509 21.556 -5.259 -49.511 1.00 88.29 C
|
| 66 |
+
ATOM 66 CB PHE A1509 20.963 -3.103 -48.296 1.00 88.29 C
|
| 67 |
+
ATOM 67 O PHE A1509 21.228 -5.409 -50.689 1.00 88.29 O
|
| 68 |
+
ATOM 68 CG PHE A1509 21.079 -2.283 -49.566 1.00 88.29 C
|
| 69 |
+
ATOM 69 CD1 PHE A1509 22.338 -2.079 -50.158 1.00 88.29 C
|
| 70 |
+
ATOM 70 CD2 PHE A1509 19.929 -1.749 -50.175 1.00 88.29 C
|
| 71 |
+
ATOM 71 CE1 PHE A1509 22.455 -1.315 -51.332 1.00 88.29 C
|
| 72 |
+
ATOM 72 CE2 PHE A1509 20.041 -0.995 -51.357 1.00 88.29 C
|
| 73 |
+
ATOM 73 CZ PHE A1509 21.306 -0.770 -51.931 1.00 88.29 C
|
| 74 |
+
ATOM 74 N ILE A1510 22.709 -5.745 -49.029 1.00 89.26 N
|
| 75 |
+
ATOM 75 CA ILE A1510 23.650 -6.519 -49.860 1.00 89.26 C
|
| 76 |
+
ATOM 76 C ILE A1510 22.979 -7.804 -50.368 1.00 89.26 C
|
| 77 |
+
ATOM 77 CB ILE A1510 24.979 -6.815 -49.118 1.00 89.26 C
|
| 78 |
+
ATOM 78 O ILE A1510 23.061 -8.100 -51.562 1.00 89.26 O
|
| 79 |
+
ATOM 79 CG1 ILE A1510 25.686 -5.498 -48.723 1.00 89.26 C
|
| 80 |
+
ATOM 80 CG2 ILE A1510 25.916 -7.654 -50.013 1.00 89.26 C
|
| 81 |
+
ATOM 81 CD1 ILE A1510 26.911 -5.681 -47.817 1.00 89.26 C
|
| 82 |
+
ATOM 82 N LEU A1511 22.250 -8.526 -49.510 1.00 92.39 N
|
| 83 |
+
ATOM 83 CA LEU A1511 21.543 -9.744 -49.917 1.00 92.39 C
|
| 84 |
+
ATOM 84 C LEU A1511 20.414 -9.476 -50.933 1.00 92.39 C
|
| 85 |
+
ATOM 85 CB LEU A1511 21.032 -10.513 -48.684 1.00 92.39 C
|
| 86 |
+
ATOM 86 O LEU A1511 20.339 -10.193 -51.933 1.00 92.39 O
|
| 87 |
+
ATOM 87 CG LEU A1511 22.112 -11.055 -47.723 1.00 92.39 C
|
| 88 |
+
ATOM 88 CD1 LEU A1511 21.425 -11.919 -46.663 1.00 92.39 C
|
| 89 |
+
ATOM 89 CD2 LEU A1511 23.173 -11.906 -48.423 1.00 92.39 C
|
| 90 |
+
ATOM 90 N ASP A1512 19.570 -8.444 -50.761 1.00 91.51 N
|
| 91 |
+
ATOM 91 CA ASP A1512 18.529 -8.125 -51.766 1.00 91.51 C
|
| 92 |
+
ATOM 92 C ASP A1512 19.168 -7.708 -53.097 1.00 91.51 C
|
| 93 |
+
ATOM 93 CB ASP A1512 17.529 -7.045 -51.289 1.00 91.51 C
|
| 94 |
+
ATOM 94 O ASP A1512 18.656 -8.048 -54.164 1.00 91.51 O
|
| 95 |
+
ATOM 95 CG ASP A1512 16.211 -7.074 -52.097 1.00 91.51 C
|
| 96 |
+
ATOM 96 OD1 ASP A1512 15.544 -8.130 -52.103 1.00 91.51 O
|
| 97 |
+
ATOM 97 OD2 ASP A1512 15.780 -6.074 -52.720 1.00 91.51 O
|
| 98 |
+
ATOM 98 N ASN A1513 20.325 -7.041 -53.054 1.00 90.33 N
|
| 99 |
+
ATOM 99 CA ASN A1513 21.079 -6.658 -54.242 1.00 90.33 C
|
| 100 |
+
ATOM 100 C ASN A1513 21.681 -7.872 -54.978 1.00 90.33 C
|
| 101 |
+
ATOM 101 CB ASN A1513 22.135 -5.623 -53.827 1.00 90.33 C
|
| 102 |
+
ATOM 102 O ASN A1513 21.595 -7.943 -56.205 1.00 90.33 O
|
| 103 |
+
ATOM 103 CG ASN A1513 22.670 -4.873 -55.024 1.00 90.33 C
|
| 104 |
+
ATOM 104 ND2 ASN A1513 23.968 -4.827 -55.212 1.00 90.33 N
|
| 105 |
+
ATOM 105 OD1 ASN A1513 21.922 -4.313 -55.807 1.00 90.33 O
|
| 106 |
+
ATOM 106 N ILE A1514 22.217 -8.866 -54.257 1.00 91.58 N
|
| 107 |
+
ATOM 107 CA ILE A1514 22.677 -10.141 -54.843 1.00 91.58 C
|
| 108 |
+
ATOM 108 C ILE A1514 21.501 -10.884 -55.491 1.00 91.58 C
|
| 109 |
+
ATOM 109 CB ILE A1514 23.414 -11.003 -53.785 1.00 91.58 C
|
| 110 |
+
ATOM 110 O ILE A1514 21.602 -11.304 -56.650 1.00 91.58 O
|
| 111 |
+
ATOM 111 CG1 ILE A1514 24.782 -10.360 -53.450 1.00 91.58 C
|
| 112 |
+
ATOM 112 CG2 ILE A1514 23.614 -12.455 -54.269 1.00 91.58 C
|
| 113 |
+
ATOM 113 CD1 ILE A1514 25.486 -10.987 -52.241 1.00 91.58 C
|
| 114 |
+
ATOM 114 N VAL A1515 20.358 -11.001 -54.803 1.00 92.72 N
|
| 115 |
+
ATOM 115 CA VAL A1515 19.193 -11.693 -55.375 1.00 92.72 C
|
| 116 |
+
ATOM 116 C VAL A1515 18.657 -10.950 -56.604 1.00 92.72 C
|
| 117 |
+
ATOM 117 CB VAL A1515 18.077 -11.962 -54.345 1.00 92.72 C
|
| 118 |
+
ATOM 118 O VAL A1515 18.446 -11.571 -57.645 1.00 92.72 O
|
| 119 |
+
ATOM 119 CG1 VAL A1515 16.926 -12.735 -55.009 1.00 92.72 C
|
| 120 |
+
ATOM 120 CG2 VAL A1515 18.557 -12.835 -53.180 1.00 92.72 C
|
| 121 |
+
ATOM 121 N THR A1516 18.471 -9.630 -56.531 1.00 90.61 N
|
| 122 |
+
ATOM 122 CA THR A1516 17.840 -8.849 -57.613 1.00 90.61 C
|
| 123 |
+
ATOM 123 C THR A1516 18.745 -8.581 -58.813 1.00 90.61 C
|
| 124 |
+
ATOM 124 CB THR A1516 17.274 -7.509 -57.124 1.00 90.61 C
|
| 125 |
+
ATOM 125 O THR A1516 18.267 -8.688 -59.942 1.00 90.61 O
|
| 126 |
+
ATOM 126 CG2 THR A1516 16.093 -7.682 -56.177 1.00 90.61 C
|
| 127 |
+
ATOM 127 OG1 THR A1516 18.247 -6.739 -56.468 1.00 90.61 O
|
| 128 |
+
ATOM 128 N GLN A1517 20.025 -8.244 -58.615 1.00 89.89 N
|
| 129 |
+
ATOM 129 CA GLN A1517 20.925 -7.874 -59.720 1.00 89.89 C
|
| 130 |
+
ATOM 130 C GLN A1517 21.730 -9.044 -60.292 1.00 89.89 C
|
| 131 |
+
ATOM 131 CB GLN A1517 21.894 -6.753 -59.312 1.00 89.89 C
|
| 132 |
+
ATOM 132 O GLN A1517 22.160 -8.961 -61.442 1.00 89.89 O
|
| 133 |
+
ATOM 133 CG GLN A1517 21.190 -5.453 -58.898 1.00 89.89 C
|
| 134 |
+
ATOM 134 CD GLN A1517 22.115 -4.234 -58.918 1.00 89.89 C
|
| 135 |
+
ATOM 135 NE2 GLN A1517 21.708 -3.131 -58.336 1.00 89.89 N
|
| 136 |
+
ATOM 136 OE1 GLN A1517 23.201 -4.215 -59.475 1.00 89.89 O
|
| 137 |
+
ATOM 137 N LYS A1518 21.963 -10.114 -59.519 1.00 91.30 N
|
| 138 |
+
ATOM 138 CA LYS A1518 22.802 -11.246 -59.949 1.00 91.30 C
|
| 139 |
+
ATOM 139 C LYS A1518 21.967 -12.518 -60.131 1.00 91.30 C
|
| 140 |
+
ATOM 140 CB LYS A1518 24.008 -11.424 -59.002 1.00 91.30 C
|
| 141 |
+
ATOM 141 O LYS A1518 21.915 -13.042 -61.238 1.00 91.30 O
|
| 142 |
+
ATOM 142 CG LYS A1518 24.908 -10.181 -58.789 1.00 91.30 C
|
| 143 |
+
ATOM 143 CD LYS A1518 26.054 -9.989 -59.812 1.00 91.30 C
|
| 144 |
+
ATOM 144 CE LYS A1518 27.162 -9.104 -59.187 1.00 91.30 C
|
| 145 |
+
ATOM 145 NZ LYS A1518 28.556 -9.521 -59.529 1.00 91.30 N
|
| 146 |
+
ATOM 146 N MET A1519 21.251 -12.985 -59.103 1.00 92.23 N
|
| 147 |
+
ATOM 147 CA MET A1519 20.520 -14.267 -59.166 1.00 92.23 C
|
| 148 |
+
ATOM 148 C MET A1519 19.296 -14.227 -60.094 1.00 92.23 C
|
| 149 |
+
ATOM 149 CB MET A1519 20.088 -14.721 -57.768 1.00 92.23 C
|
| 150 |
+
ATOM 150 O MET A1519 19.135 -15.107 -60.936 1.00 92.23 O
|
| 151 |
+
ATOM 151 CG MET A1519 21.268 -14.921 -56.810 1.00 92.23 C
|
| 152 |
+
ATOM 152 SD MET A1519 20.765 -15.294 -55.112 1.00 92.23 S
|
| 153 |
+
ATOM 153 CE MET A1519 20.147 -16.982 -55.319 1.00 92.23 C
|
| 154 |
+
ATOM 154 N MET A1520 18.455 -13.192 -59.996 1.00 92.44 N
|
| 155 |
+
ATOM 155 CA MET A1520 17.301 -13.003 -60.891 1.00 92.44 C
|
| 156 |
+
ATOM 156 C MET A1520 17.705 -12.620 -62.328 1.00 92.44 C
|
| 157 |
+
ATOM 157 CB MET A1520 16.331 -11.961 -60.306 1.00 92.44 C
|
| 158 |
+
ATOM 158 O MET A1520 16.868 -12.674 -63.228 1.00 92.44 O
|
| 159 |
+
ATOM 159 CG MET A1520 15.601 -12.467 -59.054 1.00 92.44 C
|
| 160 |
+
ATOM 160 SD MET A1520 14.415 -11.292 -58.334 1.00 92.44 S
|
| 161 |
+
ATOM 161 CE MET A1520 13.026 -11.530 -59.476 1.00 92.44 C
|
| 162 |
+
ATOM 162 N ALA A1521 18.973 -12.258 -62.553 1.00 90.96 N
|
| 163 |
+
ATOM 163 CA ALA A1521 19.535 -11.951 -63.868 1.00 90.96 C
|
| 164 |
+
ATOM 164 C ALA A1521 20.139 -13.177 -64.586 1.00 90.96 C
|
| 165 |
+
ATOM 165 CB ALA A1521 20.553 -10.817 -63.699 1.00 90.96 C
|
| 166 |
+
ATOM 166 O ALA A1521 20.499 -13.072 -65.760 1.00 90.96 O
|
| 167 |
+
ATOM 167 N VAL A1522 20.236 -14.338 -63.922 1.00 90.25 N
|
| 168 |
+
ATOM 168 CA VAL A1522 20.690 -15.592 -64.552 1.00 90.25 C
|
| 169 |
+
ATOM 169 C VAL A1522 19.714 -15.992 -65.675 1.00 90.25 C
|
| 170 |
+
ATOM 170 CB VAL A1522 20.849 -16.720 -63.508 1.00 90.25 C
|
| 171 |
+
ATOM 171 O VAL A1522 18.497 -15.957 -65.448 1.00 90.25 O
|
| 172 |
+
ATOM 172 CG1 VAL A1522 21.233 -18.070 -64.126 1.00 90.25 C
|
| 173 |
+
ATOM 173 CG2 VAL A1522 21.951 -16.363 -62.504 1.00 90.25 C
|
| 174 |
+
ATOM 174 N PRO A1523 20.190 -16.378 -66.877 1.00 87.88 N
|
| 175 |
+
ATOM 175 CA PRO A1523 19.330 -16.841 -67.966 1.00 87.88 C
|
| 176 |
+
ATOM 176 C PRO A1523 18.381 -17.968 -67.541 1.00 87.88 C
|
| 177 |
+
ATOM 177 CB PRO A1523 20.274 -17.288 -69.084 1.00 87.88 C
|
| 178 |
+
ATOM 178 O PRO A1523 18.723 -18.812 -66.720 1.00 87.88 O
|
| 179 |
+
ATOM 179 CG PRO A1523 21.507 -16.416 -68.854 1.00 87.88 C
|
| 180 |
+
ATOM 180 CD PRO A1523 21.573 -16.327 -67.331 1.00 87.88 C
|
| 181 |
+
ATOM 181 N ASP A1524 17.161 -17.957 -68.082 1.00 89.06 N
|
| 182 |
+
ATOM 182 CA ASP A1524 16.094 -18.930 -67.799 1.00 89.06 C
|
| 183 |
+
ATOM 183 C ASP A1524 15.712 -19.122 -66.310 1.00 89.06 C
|
| 184 |
+
ATOM 184 CB ASP A1524 16.363 -20.244 -68.560 1.00 89.06 C
|
| 185 |
+
ATOM 185 O ASP A1524 14.911 -19.999 -65.993 1.00 89.06 O
|
| 186 |
+
ATOM 186 CG ASP A1524 16.324 -20.038 -70.080 1.00 89.06 C
|
| 187 |
+
ATOM 187 OD1 ASP A1524 15.402 -19.319 -70.536 1.00 89.06 O
|
| 188 |
+
ATOM 188 OD2 ASP A1524 17.187 -20.611 -70.782 1.00 89.06 O
|
| 189 |
+
ATOM 189 N SER A1525 16.192 -18.274 -65.388 1.00 93.06 N
|
| 190 |
+
ATOM 190 CA SER A1525 15.924 -18.368 -63.937 1.00 93.06 C
|
| 191 |
+
ATOM 191 C SER A1525 14.476 -18.080 -63.516 1.00 93.06 C
|
| 192 |
+
ATOM 192 CB SER A1525 16.867 -17.442 -63.161 1.00 93.06 C
|
| 193 |
+
ATOM 193 O SER A1525 14.098 -18.370 -62.378 1.00 93.06 O
|
| 194 |
+
ATOM 194 OG SER A1525 16.683 -16.093 -63.542 1.00 93.06 O
|
| 195 |
+
ATOM 195 N TRP A1526 13.646 -17.557 -64.424 1.00 91.21 N
|
| 196 |
+
ATOM 196 CA TRP A1526 12.266 -17.125 -64.169 1.00 91.21 C
|
| 197 |
+
ATOM 197 C TRP A1526 11.342 -18.144 -63.455 1.00 91.21 C
|
| 198 |
+
ATOM 198 CB TRP A1526 11.636 -16.611 -65.473 1.00 91.21 C
|
| 199 |
+
ATOM 199 O TRP A1526 10.495 -17.683 -62.685 1.00 91.21 O
|
| 200 |
+
ATOM 200 CG TRP A1526 11.346 -17.647 -66.517 1.00 91.21 C
|
| 201 |
+
ATOM 201 CD1 TRP A1526 12.163 -17.993 -67.537 1.00 91.21 C
|
| 202 |
+
ATOM 202 CD2 TRP A1526 10.185 -18.531 -66.623 1.00 91.21 C
|
| 203 |
+
ATOM 203 CE2 TRP A1526 10.389 -19.416 -67.724 1.00 91.21 C
|
| 204 |
+
ATOM 204 CE3 TRP A1526 8.997 -18.697 -65.875 1.00 91.21 C
|
| 205 |
+
ATOM 205 NE1 TRP A1526 11.610 -19.039 -68.247 1.00 91.21 N
|
| 206 |
+
ATOM 206 CH2 TRP A1526 8.289 -20.550 -67.302 1.00 91.21 C
|
| 207 |
+
ATOM 207 CZ2 TRP A1526 9.461 -20.413 -68.066 1.00 91.21 C
|
| 208 |
+
ATOM 208 CZ3 TRP A1526 8.060 -19.694 -66.209 1.00 91.21 C
|
| 209 |
+
ATOM 209 N PRO A1527 11.472 -19.487 -63.596 1.00 90.71 N
|
| 210 |
+
ATOM 210 CA PRO A1527 10.645 -20.445 -62.853 1.00 90.71 C
|
| 211 |
+
ATOM 211 C PRO A1527 10.880 -20.412 -61.338 1.00 90.71 C
|
| 212 |
+
ATOM 212 CB PRO A1527 10.988 -21.832 -63.416 1.00 90.71 C
|
| 213 |
+
ATOM 213 O PRO A1527 10.023 -20.858 -60.582 1.00 90.71 O
|
| 214 |
+
ATOM 214 CG PRO A1527 11.577 -21.530 -64.789 1.00 90.71 C
|
| 215 |
+
ATOM 215 CD PRO A1527 12.309 -20.226 -64.526 1.00 90.71 C
|
| 216 |
+
ATOM 216 N PHE A1528 12.023 -19.877 -60.899 1.00 94.44 N
|
| 217 |
+
ATOM 217 CA PHE A1528 12.404 -19.737 -59.491 1.00 94.44 C
|
| 218 |
+
ATOM 218 C PHE A1528 12.153 -18.329 -58.941 1.00 94.44 C
|
| 219 |
+
ATOM 219 CB PHE A1528 13.876 -20.143 -59.330 1.00 94.44 C
|
| 220 |
+
ATOM 220 O PHE A1528 12.421 -18.080 -57.771 1.00 94.44 O
|
| 221 |
+
ATOM 221 CG PHE A1528 14.158 -21.535 -59.852 1.00 94.44 C
|
| 222 |
+
ATOM 222 CD1 PHE A1528 13.668 -22.647 -59.145 1.00 94.44 C
|
| 223 |
+
ATOM 223 CD2 PHE A1528 14.837 -21.718 -61.073 1.00 94.44 C
|
| 224 |
+
ATOM 224 CE1 PHE A1528 13.859 -23.942 -59.648 1.00 94.44 C
|
| 225 |
+
ATOM 225 CE2 PHE A1528 15.023 -23.015 -61.581 1.00 94.44 C
|
| 226 |
+
ATOM 226 CZ PHE A1528 14.527 -24.121 -60.869 1.00 94.44 C
|
| 227 |
+
ATOM 227 N HIS A1529 11.653 -17.392 -59.757 1.00 92.46 N
|
| 228 |
+
ATOM 228 CA HIS A1529 11.432 -16.003 -59.331 1.00 92.46 C
|
| 229 |
+
ATOM 229 C HIS A1529 10.237 -15.832 -58.390 1.00 92.46 C
|
| 230 |
+
ATOM 230 CB HIS A1529 11.260 -15.081 -60.549 1.00 92.46 C
|
| 231 |
+
ATOM 231 O HIS A1529 10.159 -14.793 -57.750 1.00 92.46 O
|
| 232 |
+
ATOM 232 CG HIS A1529 12.517 -14.739 -61.308 1.00 92.46 C
|
| 233 |
+
ATOM 233 CD2 HIS A1529 13.685 -15.445 -61.336 1.00 92.46 C
|
| 234 |
+
ATOM 234 ND1 HIS A1529 12.637 -13.639 -62.157 1.00 92.46 N
|
| 235 |
+
ATOM 235 CE1 HIS A1529 13.872 -13.706 -62.678 1.00 92.46 C
|
| 236 |
+
ATOM 236 NE2 HIS A1529 14.517 -14.785 -62.211 1.00 92.46 N
|
| 237 |
+
ATOM 237 N HIS A1530 9.317 -16.799 -58.331 1.00 91.84 N
|
| 238 |
+
ATOM 238 CA HIS A1530 8.073 -16.751 -57.552 1.00 91.84 C
|
| 239 |
+
ATOM 239 C HIS A1530 7.713 -18.159 -57.028 1.00 91.84 C
|
| 240 |
+
ATOM 240 CB HIS A1530 6.924 -16.240 -58.445 1.00 91.84 C
|
| 241 |
+
ATOM 241 O HIS A1530 8.177 -19.148 -57.605 1.00 91.84 O
|
| 242 |
+
ATOM 242 CG HIS A1530 7.128 -14.878 -59.062 1.00 91.84 C
|
| 243 |
+
ATOM 243 CD2 HIS A1530 6.699 -13.676 -58.563 1.00 91.84 C
|
| 244 |
+
ATOM 244 ND1 HIS A1530 7.746 -14.620 -60.264 1.00 91.84 N
|
| 245 |
+
ATOM 245 CE1 HIS A1530 7.703 -13.295 -60.478 1.00 91.84 C
|
| 246 |
+
ATOM 246 NE2 HIS A1530 7.049 -12.677 -59.483 1.00 91.84 N
|
| 247 |
+
ATOM 247 N PRO A1531 6.838 -18.295 -56.010 1.00 91.55 N
|
| 248 |
+
ATOM 248 CA PRO A1531 6.398 -19.601 -55.518 1.00 91.55 C
|
| 249 |
+
ATOM 249 C PRO A1531 5.706 -20.446 -56.603 1.00 91.55 C
|
| 250 |
+
ATOM 250 CB PRO A1531 5.452 -19.312 -54.345 1.00 91.55 C
|
| 251 |
+
ATOM 251 O PRO A1531 4.833 -19.958 -57.326 1.00 91.55 O
|
| 252 |
+
ATOM 252 CG PRO A1531 5.810 -17.893 -53.900 1.00 91.55 C
|
| 253 |
+
ATOM 253 CD PRO A1531 6.303 -17.224 -55.180 1.00 91.55 C
|
| 254 |
+
ATOM 254 N VAL A1532 6.050 -21.737 -56.688 1.00 90.77 N
|
| 255 |
+
ATOM 255 CA VAL A1532 5.525 -22.670 -57.706 1.00 90.77 C
|
| 256 |
+
ATOM 256 C VAL A1532 4.001 -22.809 -57.604 1.00 90.77 C
|
| 257 |
+
ATOM 257 CB VAL A1532 6.208 -24.051 -57.607 1.00 90.77 C
|
| 258 |
+
ATOM 258 O VAL A1532 3.472 -23.441 -56.694 1.00 90.77 O
|
| 259 |
+
ATOM 259 CG1 VAL A1532 5.667 -25.034 -58.656 1.00 90.77 C
|
| 260 |
+
ATOM 260 CG2 VAL A1532 7.722 -23.934 -57.823 1.00 90.77 C
|
| 261 |
+
ATOM 261 N ASN A1533 3.272 -22.228 -58.558 1.00 86.17 N
|
| 262 |
+
ATOM 262 CA ASN A1533 1.815 -22.134 -58.493 1.00 86.17 C
|
| 263 |
+
ATOM 263 C ASN A1533 1.128 -23.517 -58.553 1.00 86.17 C
|
| 264 |
+
ATOM 264 CB ASN A1533 1.347 -21.155 -59.582 1.00 86.17 C
|
| 265 |
+
ATOM 265 O ASN A1533 1.161 -24.219 -59.568 1.00 86.17 O
|
| 266 |
+
ATOM 266 CG ASN A1533 -0.161 -20.943 -59.646 1.00 86.17 C
|
| 267 |
+
ATOM 267 ND2 ASN A1533 -0.596 -19.889 -60.292 1.00 86.17 N
|
| 268 |
+
ATOM 268 OD1 ASN A1533 -0.970 -21.708 -59.142 1.00 86.17 O
|
| 269 |
+
ATOM 269 N LYS A1534 0.416 -23.853 -57.468 1.00 87.23 N
|
| 270 |
+
ATOM 270 CA LYS A1534 -0.311 -25.116 -57.261 1.00 87.23 C
|
| 271 |
+
ATOM 271 C LYS A1534 -1.319 -25.465 -58.368 1.00 87.23 C
|
| 272 |
+
ATOM 272 CB LYS A1534 -1.010 -25.032 -55.891 1.00 87.23 C
|
| 273 |
+
ATOM 273 O LYS A1534 -1.586 -26.645 -58.559 1.00 87.23 O
|
| 274 |
+
ATOM 274 CG LYS A1534 -1.584 -26.374 -55.413 1.00 87.23 C
|
| 275 |
+
ATOM 275 CD LYS A1534 -2.258 -26.207 -54.048 1.00 87.23 C
|
| 276 |
+
ATOM 276 CE LYS A1534 -2.930 -27.520 -53.639 1.00 87.23 C
|
| 277 |
+
ATOM 277 NZ LYS A1534 -3.785 -27.329 -52.441 1.00 87.23 N
|
| 278 |
+
ATOM 278 N LYS A1535 -1.874 -24.495 -59.105 1.00 86.24 N
|
| 279 |
+
ATOM 279 CA LYS A1535 -2.796 -24.779 -60.225 1.00 86.24 C
|
| 280 |
+
ATOM 280 C LYS A1535 -2.078 -25.364 -61.447 1.00 86.24 C
|
| 281 |
+
ATOM 281 CB LYS A1535 -3.611 -23.529 -60.603 1.00 86.24 C
|
| 282 |
+
ATOM 282 O LYS A1535 -2.672 -26.149 -62.175 1.00 86.24 O
|
| 283 |
+
ATOM 283 CG LYS A1535 -4.534 -23.079 -59.457 1.00 86.24 C
|
| 284 |
+
ATOM 284 CD LYS A1535 -5.482 -21.946 -59.877 1.00 86.24 C
|
| 285 |
+
ATOM 285 CE LYS A1535 -6.302 -21.507 -58.657 1.00 86.24 C
|
| 286 |
+
ATOM 286 NZ LYS A1535 -7.203 -20.370 -58.946 1.00 86.24 N
|
| 287 |
+
ATOM 287 N PHE A1536 -0.803 -25.024 -61.645 1.00 84.82 N
|
| 288 |
+
ATOM 288 CA PHE A1536 0.025 -25.574 -62.725 1.00 84.82 C
|
| 289 |
+
ATOM 289 C PHE A1536 0.809 -26.821 -62.292 1.00 84.82 C
|
| 290 |
+
ATOM 290 CB PHE A1536 0.960 -24.480 -63.257 1.00 84.82 C
|
| 291 |
+
ATOM 291 O PHE A1536 1.078 -27.680 -63.126 1.00 84.82 O
|
| 292 |
+
ATOM 292 CG PHE A1536 0.237 -23.325 -63.927 1.00 84.82 C
|
| 293 |
+
ATOM 293 CD1 PHE A1536 -0.252 -23.465 -65.239 1.00 84.82 C
|
| 294 |
+
ATOM 294 CD2 PHE A1536 0.037 -22.114 -63.240 1.00 84.82 C
|
| 295 |
+
ATOM 295 CE1 PHE A1536 -0.927 -22.398 -65.860 1.00 84.82 C
|
| 296 |
+
ATOM 296 CE2 PHE A1536 -0.632 -21.044 -63.860 1.00 84.82 C
|
| 297 |
+
ATOM 297 CZ PHE A1536 -1.114 -21.186 -65.173 1.00 84.82 C
|
| 298 |
+
ATOM 298 N VAL A1537 1.155 -26.938 -61.002 1.00 86.65 N
|
| 299 |
+
ATOM 299 CA VAL A1537 1.925 -28.072 -60.454 1.00 86.65 C
|
| 300 |
+
ATOM 300 C VAL A1537 1.270 -28.604 -59.156 1.00 86.65 C
|
| 301 |
+
ATOM 301 CB VAL A1537 3.418 -27.702 -60.280 1.00 86.65 C
|
| 302 |
+
ATOM 302 O VAL A1537 1.742 -28.333 -58.046 1.00 86.65 O
|
| 303 |
+
ATOM 303 CG1 VAL A1537 4.245 -28.986 -60.259 1.00 86.65 C
|
| 304 |
+
ATOM 304 CG2 VAL A1537 3.995 -26.833 -61.410 1.00 86.65 C
|
| 305 |
+
ATOM 305 N PRO A1538 0.132 -29.325 -59.250 1.00 85.30 N
|
| 306 |
+
ATOM 306 CA PRO A1538 -0.752 -29.619 -58.108 1.00 85.30 C
|
| 307 |
+
ATOM 307 C PRO A1538 -0.227 -30.663 -57.110 1.00 85.30 C
|
| 308 |
+
ATOM 308 CB PRO A1538 -2.079 -30.055 -58.742 1.00 85.30 C
|
| 309 |
+
ATOM 309 O PRO A1538 -0.787 -30.823 -56.019 1.00 85.30 O
|
| 310 |
+
ATOM 310 CG PRO A1538 -1.652 -30.661 -60.078 1.00 85.30 C
|
| 311 |
+
ATOM 311 CD PRO A1538 -0.492 -29.761 -60.492 1.00 85.30 C
|
| 312 |
+
ATOM 312 N ASP A1539 0.834 -31.382 -57.458 1.00 92.10 N
|
| 313 |
+
ATOM 313 CA ASP A1539 1.535 -32.344 -56.610 1.00 92.10 C
|
| 314 |
+
ATOM 314 C ASP A1539 2.870 -31.818 -56.052 1.00 92.10 C
|
| 315 |
+
ATOM 315 CB ASP A1539 1.706 -33.660 -57.382 1.00 92.10 C
|
| 316 |
+
ATOM 316 O ASP A1539 3.420 -32.454 -55.155 1.00 92.10 O
|
| 317 |
+
ATOM 317 CG ASP A1539 2.681 -33.540 -58.558 1.00 92.10 C
|
| 318 |
+
ATOM 318 OD1 ASP A1539 2.716 -32.458 -59.187 1.00 92.10 O
|
| 319 |
+
ATOM 319 OD2 ASP A1539 3.396 -34.527 -58.807 1.00 92.10 O
|
| 320 |
+
ATOM 320 N TYR A1540 3.346 -30.638 -56.479 1.00 92.45 N
|
| 321 |
+
ATOM 321 CA TYR A1540 4.604 -30.041 -56.002 1.00 92.45 C
|
| 322 |
+
ATOM 322 C TYR A1540 4.677 -30.009 -54.471 1.00 92.45 C
|
| 323 |
+
ATOM 323 CB TYR A1540 4.761 -28.622 -56.568 1.00 92.45 C
|
| 324 |
+
ATOM 324 O TYR A1540 5.558 -30.618 -53.873 1.00 92.45 O
|
| 325 |
+
ATOM 325 CG TYR A1540 6.102 -27.991 -56.254 1.00 92.45 C
|
| 326 |
+
ATOM 326 CD1 TYR A1540 6.215 -26.992 -55.266 1.00 92.45 C
|
| 327 |
+
ATOM 327 CD2 TYR A1540 7.242 -28.415 -56.962 1.00 92.45 C
|
| 328 |
+
ATOM 328 CE1 TYR A1540 7.471 -26.412 -54.992 1.00 92.45 C
|
| 329 |
+
ATOM 329 CE2 TYR A1540 8.497 -27.845 -56.683 1.00 92.45 C
|
| 330 |
+
ATOM 330 OH TYR A1540 9.832 -26.290 -55.454 1.00 92.45 O
|
| 331 |
+
ATOM 331 CZ TYR A1540 8.615 -26.841 -55.701 1.00 92.45 C
|
| 332 |
+
ATOM 332 N TYR A1541 3.662 -29.424 -53.829 1.00 91.66 N
|
| 333 |
+
ATOM 333 CA TYR A1541 3.521 -29.335 -52.368 1.00 91.66 C
|
| 334 |
+
ATOM 334 C TYR A1541 3.185 -30.670 -51.662 1.00 91.66 C
|
| 335 |
+
ATOM 335 CB TYR A1541 2.467 -28.267 -52.043 1.00 91.66 C
|
| 336 |
+
ATOM 336 O TYR A1541 2.911 -30.680 -50.464 1.00 91.66 O
|
| 337 |
+
ATOM 337 CG TYR A1541 2.786 -26.872 -52.546 1.00 91.66 C
|
| 338 |
+
ATOM 338 CD1 TYR A1541 3.656 -26.049 -51.804 1.00 91.66 C
|
| 339 |
+
ATOM 339 CD2 TYR A1541 2.192 -26.383 -53.728 1.00 91.66 C
|
| 340 |
+
ATOM 340 CE1 TYR A1541 3.896 -24.723 -52.213 1.00 91.66 C
|
| 341 |
+
ATOM 341 CE2 TYR A1541 2.438 -25.059 -54.137 1.00 91.66 C
|
| 342 |
+
ATOM 342 OH TYR A1541 3.449 -22.920 -53.726 1.00 91.66 O
|
| 343 |
+
ATOM 343 CZ TYR A1541 3.272 -24.219 -53.371 1.00 91.66 C
|
| 344 |
+
ATOM 344 N LYS A1542 3.151 -31.798 -52.386 1.00 90.03 N
|
| 345 |
+
ATOM 345 CA LYS A1542 3.089 -33.159 -51.815 1.00 90.03 C
|
| 346 |
+
ATOM 346 C LYS A1542 4.468 -33.830 -51.806 1.00 90.03 C
|
| 347 |
+
ATOM 347 CB LYS A1542 2.091 -34.040 -52.588 1.00 90.03 C
|
| 348 |
+
ATOM 348 O LYS A1542 4.716 -34.694 -50.972 1.00 90.03 O
|
| 349 |
+
ATOM 349 CG LYS A1542 0.680 -33.446 -52.715 1.00 90.03 C
|
| 350 |
+
ATOM 350 CD LYS A1542 -0.206 -34.380 -53.550 1.00 90.03 C
|
| 351 |
+
ATOM 351 CE LYS A1542 -1.560 -33.718 -53.827 1.00 90.03 C
|
| 352 |
+
ATOM 352 NZ LYS A1542 -2.358 -34.507 -54.799 1.00 90.03 N
|
| 353 |
+
ATOM 353 N VAL A1543 5.350 -33.442 -52.730 1.00 91.84 N
|
| 354 |
+
ATOM 354 CA VAL A1543 6.726 -33.954 -52.867 1.00 91.84 C
|
| 355 |
+
ATOM 355 C VAL A1543 7.722 -33.051 -52.129 1.00 91.84 C
|
| 356 |
+
ATOM 356 CB VAL A1543 7.091 -34.068 -54.364 1.00 91.84 C
|
| 357 |
+
ATOM 357 O VAL A1543 8.632 -33.530 -51.444 1.00 91.84 O
|
| 358 |
+
ATOM 358 CG1 VAL A1543 8.509 -34.616 -54.572 1.00 91.84 C
|
| 359 |
+
ATOM 359 CG2 VAL A1543 6.121 -34.987 -55.119 1.00 91.84 C
|
| 360 |
+
ATOM 360 N ILE A1544 7.539 -31.737 -52.244 1.00 93.39 N
|
| 361 |
+
ATOM 361 CA ILE A1544 8.341 -30.688 -51.620 1.00 93.39 C
|
| 362 |
+
ATOM 362 C ILE A1544 7.649 -30.216 -50.339 1.00 93.39 C
|
| 363 |
+
ATOM 363 CB ILE A1544 8.581 -29.543 -52.630 1.00 93.39 C
|
| 364 |
+
ATOM 364 O ILE A1544 6.546 -29.678 -50.379 1.00 93.39 O
|
| 365 |
+
ATOM 365 CG1 ILE A1544 9.312 -30.020 -53.909 1.00 93.39 C
|
| 366 |
+
ATOM 366 CG2 ILE A1544 9.343 -28.396 -51.952 1.00 93.39 C
|
| 367 |
+
ATOM 367 CD1 ILE A1544 10.549 -30.898 -53.682 1.00 93.39 C
|
| 368 |
+
ATOM 368 N VAL A1545 8.314 -30.441 -49.202 1.00 91.09 N
|
| 369 |
+
ATOM 369 CA VAL A1545 7.799 -30.111 -47.859 1.00 91.09 C
|
| 370 |
+
ATOM 370 C VAL A1545 8.137 -28.667 -47.483 1.00 91.09 C
|
| 371 |
+
ATOM 371 CB VAL A1545 8.344 -31.098 -46.803 1.00 91.09 C
|
| 372 |
+
ATOM 372 O VAL A1545 7.277 -27.949 -46.981 1.00 91.09 O
|
| 373 |
+
ATOM 373 CG1 VAL A1545 7.738 -30.856 -45.417 1.00 91.09 C
|
| 374 |
+
ATOM 374 CG2 VAL A1545 8.044 -32.557 -47.185 1.00 91.09 C
|
| 375 |
+
ATOM 375 N ASN A1546 9.362 -28.232 -47.798 1.00 91.70 N
|
| 376 |
+
ATOM 376 CA ASN A1546 9.874 -26.890 -47.524 1.00 91.70 C
|
| 377 |
+
ATOM 377 C ASN A1546 10.095 -26.158 -48.865 1.00 91.70 C
|
| 378 |
+
ATOM 378 CB ASN A1546 11.171 -26.996 -46.693 1.00 91.70 C
|
| 379 |
+
ATOM 379 O ASN A1546 11.215 -26.167 -49.378 1.00 91.70 O
|
| 380 |
+
ATOM 380 CG ASN A1546 11.030 -27.632 -45.319 1.00 91.70 C
|
| 381 |
+
ATOM 381 ND2 ASN A1546 12.120 -27.745 -44.598 1.00 91.70 N
|
| 382 |
+
ATOM 382 OD1 ASN A1546 9.973 -28.046 -44.876 1.00 91.70 O
|
| 383 |
+
ATOM 383 N PRO A1547 9.047 -25.603 -49.501 1.00 93.26 N
|
| 384 |
+
ATOM 384 CA PRO A1547 9.184 -24.873 -50.760 1.00 93.26 C
|
| 385 |
+
ATOM 385 C PRO A1547 9.964 -23.567 -50.556 1.00 93.26 C
|
| 386 |
+
ATOM 386 CB PRO A1547 7.748 -24.618 -51.232 1.00 93.26 C
|
| 387 |
+
ATOM 387 O PRO A1547 9.757 -22.872 -49.563 1.00 93.26 O
|
| 388 |
+
ATOM 388 CG PRO A1547 6.970 -24.532 -49.917 1.00 93.26 C
|
| 389 |
+
ATOM 389 CD PRO A1547 7.667 -25.569 -49.044 1.00 93.26 C
|
| 390 |
+
ATOM 390 N MET A1548 10.821 -23.223 -51.520 1.00 94.98 N
|
| 391 |
+
ATOM 391 CA MET A1548 11.597 -21.982 -51.535 1.00 94.98 C
|
| 392 |
+
ATOM 392 C MET A1548 11.735 -21.448 -52.965 1.00 94.98 C
|
| 393 |
+
ATOM 393 CB MET A1548 12.969 -22.225 -50.878 1.00 94.98 C
|
| 394 |
+
ATOM 394 O MET A1548 11.734 -22.229 -53.920 1.00 94.98 O
|
| 395 |
+
ATOM 395 CG MET A1548 13.723 -20.931 -50.545 1.00 94.98 C
|
| 396 |
+
ATOM 396 SD MET A1548 12.811 -19.703 -49.565 1.00 94.98 S
|
| 397 |
+
ATOM 397 CE MET A1548 12.455 -20.697 -48.092 1.00 94.98 C
|
| 398 |
+
ATOM 398 N ASP A1549 11.829 -20.127 -53.094 1.00 94.57 N
|
| 399 |
+
ATOM 399 CA ASP A1549 11.893 -19.364 -54.344 1.00 94.57 C
|
| 400 |
+
ATOM 400 C ASP A1549 12.496 -17.971 -54.075 1.00 94.57 C
|
| 401 |
+
ATOM 401 CB ASP A1549 10.485 -19.228 -54.946 1.00 94.57 C
|
| 402 |
+
ATOM 402 O ASP A1549 12.529 -17.516 -52.929 1.00 94.57 O
|
| 403 |
+
ATOM 403 CG ASP A1549 9.574 -18.372 -54.070 1.00 94.57 C
|
| 404 |
+
ATOM 404 OD1 ASP A1549 9.557 -17.138 -54.272 1.00 94.57 O
|
| 405 |
+
ATOM 405 OD2 ASP A1549 8.901 -18.930 -53.175 1.00 94.57 O
|
| 406 |
+
ATOM 406 N LEU A1550 12.960 -17.273 -55.114 1.00 95.03 N
|
| 407 |
+
ATOM 407 CA LEU A1550 13.668 -15.999 -54.959 1.00 95.03 C
|
| 408 |
+
ATOM 408 C LEU A1550 12.775 -14.872 -54.410 1.00 95.03 C
|
| 409 |
+
ATOM 409 CB LEU A1550 14.344 -15.589 -56.283 1.00 95.03 C
|
| 410 |
+
ATOM 410 O LEU A1550 13.287 -14.015 -53.694 1.00 95.03 O
|
| 411 |
+
ATOM 411 CG LEU A1550 15.364 -16.597 -56.857 1.00 95.03 C
|
| 412 |
+
ATOM 412 CD1 LEU A1550 15.950 -16.060 -58.165 1.00 95.03 C
|
| 413 |
+
ATOM 413 CD2 LEU A1550 16.530 -16.876 -55.910 1.00 95.03 C
|
| 414 |
+
ATOM 414 N GLU A1551 11.458 -14.862 -54.650 1.00 92.27 N
|
| 415 |
+
ATOM 415 CA GLU A1551 10.571 -13.874 -54.015 1.00 92.27 C
|
| 416 |
+
ATOM 416 C GLU A1551 10.428 -14.149 -52.513 1.00 92.27 C
|
| 417 |
+
ATOM 417 CB GLU A1551 9.170 -13.851 -54.650 1.00 92.27 C
|
| 418 |
+
ATOM 418 O GLU A1551 10.423 -13.215 -51.710 1.00 92.27 O
|
| 419 |
+
ATOM 419 CG GLU A1551 8.539 -12.450 -54.579 1.00 92.27 C
|
| 420 |
+
ATOM 420 CD GLU A1551 7.007 -12.449 -54.697 1.00 92.27 C
|
| 421 |
+
ATOM 421 OE1 GLU A1551 6.390 -11.432 -54.304 1.00 92.27 O
|
| 422 |
+
ATOM 422 OE2 GLU A1551 6.383 -13.525 -54.837 1.00 92.27 O
|
| 423 |
+
ATOM 423 N THR A1552 10.335 -15.420 -52.114 1.00 93.79 N
|
| 424 |
+
ATOM 424 CA THR A1552 10.311 -15.833 -50.704 1.00 93.79 C
|
| 425 |
+
ATOM 425 C THR A1552 11.636 -15.526 -50.004 1.00 93.79 C
|
| 426 |
+
ATOM 426 CB THR A1552 9.903 -17.305 -50.557 1.00 93.79 C
|
| 427 |
+
ATOM 427 O THR A1552 11.608 -14.991 -48.895 1.00 93.79 O
|
| 428 |
+
ATOM 428 CG2 THR A1552 9.853 -17.764 -49.098 1.00 93.79 C
|
| 429 |
+
ATOM 429 OG1 THR A1552 8.584 -17.446 -51.037 1.00 93.79 O
|
| 430 |
+
ATOM 430 N ILE A1553 12.782 -15.730 -50.663 1.00 95.12 N
|
| 431 |
+
ATOM 431 CA ILE A1553 14.094 -15.310 -50.143 1.00 95.12 C
|
| 432 |
+
ATOM 432 C ILE A1553 14.144 -13.784 -49.978 1.00 95.12 C
|
| 433 |
+
ATOM 433 CB ILE A1553 15.243 -15.872 -51.013 1.00 95.12 C
|
| 434 |
+
ATOM 434 O ILE A1553 14.471 -13.301 -48.895 1.00 95.12 O
|
| 435 |
+
ATOM 435 CG1 ILE A1553 15.274 -17.411 -50.872 1.00 95.12 C
|
| 436 |
+
ATOM 436 CG2 ILE A1553 16.600 -15.275 -50.608 1.00 95.12 C
|
| 437 |
+
ATOM 437 CD1 ILE A1553 16.418 -18.112 -51.610 1.00 95.12 C
|
| 438 |
+
ATOM 438 N ARG A1554 13.704 -12.995 -50.967 1.00 93.92 N
|
| 439 |
+
ATOM 439 CA ARG A1554 13.591 -11.527 -50.825 1.00 93.92 C
|
| 440 |
+
ATOM 440 C ARG A1554 12.627 -11.097 -49.717 1.00 93.92 C
|
| 441 |
+
ATOM 441 CB ARG A1554 13.196 -10.890 -52.158 1.00 93.92 C
|
| 442 |
+
ATOM 442 O ARG A1554 12.894 -10.124 -49.014 1.00 93.92 O
|
| 443 |
+
ATOM 443 CG ARG A1554 14.333 -10.977 -53.189 1.00 93.92 C
|
| 444 |
+
ATOM 444 CD ARG A1554 13.962 -10.228 -54.469 1.00 93.92 C
|
| 445 |
+
ATOM 445 NE ARG A1554 13.911 -8.795 -54.167 1.00 93.92 N
|
| 446 |
+
ATOM 446 NH1 ARG A1554 11.941 -8.174 -55.146 1.00 93.92 N
|
| 447 |
+
ATOM 447 NH2 ARG A1554 13.152 -6.714 -53.911 1.00 93.92 N
|
| 448 |
+
ATOM 448 CZ ARG A1554 12.992 -7.902 -54.415 1.00 93.92 C
|
| 449 |
+
ATOM 449 N LYS A1555 11.533 -11.834 -49.495 1.00 90.77 N
|
| 450 |
+
ATOM 450 CA LYS A1555 10.599 -11.631 -48.368 1.00 90.77 C
|
| 451 |
+
ATOM 451 C LYS A1555 11.190 -12.045 -47.016 1.00 90.77 C
|
| 452 |
+
ATOM 452 CB LYS A1555 9.291 -12.398 -48.628 1.00 90.77 C
|
| 453 |
+
ATOM 453 O LYS A1555 10.707 -11.548 -46.002 1.00 90.77 O
|
| 454 |
+
ATOM 454 CG LYS A1555 8.410 -11.752 -49.708 1.00 90.77 C
|
| 455 |
+
ATOM 455 CD LYS A1555 7.381 -12.758 -50.248 1.00 90.77 C
|
| 456 |
+
ATOM 456 CE LYS A1555 6.579 -12.115 -51.381 1.00 90.77 C
|
| 457 |
+
ATOM 457 NZ LYS A1555 5.816 -13.106 -52.180 1.00 90.77 N
|
| 458 |
+
ATOM 458 N ASN A1556 12.189 -12.927 -46.977 1.00 93.36 N
|
| 459 |
+
ATOM 459 CA ASN A1556 12.955 -13.258 -45.774 1.00 93.36 C
|
| 460 |
+
ATOM 460 C ASN A1556 14.037 -12.186 -45.505 1.00 93.36 C
|
| 461 |
+
ATOM 461 CB ASN A1556 13.535 -14.683 -45.905 1.00 93.36 C
|
| 462 |
+
ATOM 462 O ASN A1556 14.130 -11.709 -44.374 1.00 93.36 O
|
| 463 |
+
ATOM 463 CG ASN A1556 12.547 -15.838 -45.757 1.00 93.36 C
|
| 464 |
+
ATOM 464 ND2 ASN A1556 12.959 -17.028 -46.118 1.00 93.36 N
|
| 465 |
+
ATOM 465 OD1 ASN A1556 11.447 -15.731 -45.212 1.00 93.36 O
|
| 466 |
+
ATOM 466 N ILE A1557 14.758 -11.722 -46.537 1.00 92.90 N
|
| 467 |
+
ATOM 467 CA ILE A1557 15.693 -10.577 -46.467 1.00 92.90 C
|
| 468 |
+
ATOM 468 C ILE A1557 14.969 -9.320 -45.963 1.00 92.90 C
|
| 469 |
+
ATOM 469 CB ILE A1557 16.347 -10.303 -47.847 1.00 92.90 C
|
| 470 |
+
ATOM 470 O ILE A1557 15.378 -8.718 -44.977 1.00 92.90 O
|
| 471 |
+
ATOM 471 CG1 ILE A1557 17.263 -11.453 -48.313 1.00 92.90 C
|
| 472 |
+
ATOM 472 CG2 ILE A1557 17.190 -9.023 -47.781 1.00 92.90 C
|
| 473 |
+
ATOM 473 CD1 ILE A1557 17.549 -11.463 -49.818 1.00 92.90 C
|
| 474 |
+
ATOM 474 N SER A1558 13.822 -8.982 -46.564 1.00 87.44 N
|
| 475 |
+
ATOM 475 CA SER A1558 12.977 -7.829 -46.190 1.00 87.44 C
|
| 476 |
+
ATOM 476 C SER A1558 12.305 -7.953 -44.809 1.00 87.44 C
|
| 477 |
+
ATOM 477 CB SER A1558 11.871 -7.608 -47.232 1.00 87.44 C
|
| 478 |
+
ATOM 478 O SER A1558 11.485 -7.113 -44.445 1.00 87.44 O
|
| 479 |
+
ATOM 479 OG SER A1558 12.369 -7.464 -48.547 1.00 87.44 O
|
| 480 |
+
ATOM 480 N LYS A1559 12.585 -9.033 -44.071 1.00 87.71 N
|
| 481 |
+
ATOM 481 CA LYS A1559 12.158 -9.282 -42.685 1.00 87.71 C
|
| 482 |
+
ATOM 482 C LYS A1559 13.350 -9.536 -41.756 1.00 87.71 C
|
| 483 |
+
ATOM 483 CB LYS A1559 11.183 -10.467 -42.642 1.00 87.71 C
|
| 484 |
+
ATOM 484 O LYS A1559 13.146 -10.045 -40.659 1.00 87.71 O
|
| 485 |
+
ATOM 485 CG LYS A1559 9.825 -10.153 -43.272 1.00 87.71 C
|
| 486 |
+
ATOM 486 CD LYS A1559 8.988 -11.434 -43.257 1.00 87.71 C
|
| 487 |
+
ATOM 487 CE LYS A1559 7.699 -11.210 -44.038 1.00 87.71 C
|
| 488 |
+
ATOM 488 NZ LYS A1559 6.932 -12.472 -44.133 1.00 87.71 N
|
| 489 |
+
ATOM 489 N HIS A1560 14.574 -9.259 -42.215 1.00 88.53 N
|
| 490 |
+
ATOM 490 CA HIS A1560 15.812 -9.402 -41.444 1.00 88.53 C
|
| 491 |
+
ATOM 491 C HIS A1560 16.011 -10.804 -40.828 1.00 88.53 C
|
| 492 |
+
ATOM 492 CB HIS A1560 15.913 -8.220 -40.469 1.00 88.53 C
|
| 493 |
+
ATOM 493 O HIS A1560 16.582 -10.969 -39.752 1.00 88.53 O
|
| 494 |
+
ATOM 494 CG HIS A1560 15.800 -6.886 -41.178 1.00 88.53 C
|
| 495 |
+
ATOM 495 CD2 HIS A1560 14.839 -5.929 -40.982 1.00 88.53 C
|
| 496 |
+
ATOM 496 ND1 HIS A1560 16.579 -6.453 -42.226 1.00 88.53 N
|
| 497 |
+
ATOM 497 CE1 HIS A1560 16.116 -5.263 -42.635 1.00 88.53 C
|
| 498 |
+
ATOM 498 NE2 HIS A1560 15.027 -4.921 -41.935 1.00 88.53 N
|
| 499 |
+
ATOM 499 N LYS A1561 15.524 -11.846 -41.524 1.00 88.56 N
|
| 500 |
+
ATOM 500 CA LYS A1561 15.658 -13.247 -41.087 1.00 88.56 C
|
| 501 |
+
ATOM 501 C LYS A1561 17.084 -13.780 -41.182 1.00 88.56 C
|
| 502 |
+
ATOM 502 CB LYS A1561 14.771 -14.154 -41.941 1.00 88.56 C
|
| 503 |
+
ATOM 503 O LYS A1561 17.455 -14.628 -40.380 1.00 88.56 O
|
| 504 |
+
ATOM 504 CG LYS A1561 13.424 -14.488 -41.295 1.00 88.56 C
|
| 505 |
+
ATOM 505 CD LYS A1561 12.692 -15.364 -42.311 1.00 88.56 C
|
| 506 |
+
ATOM 506 CE LYS A1561 11.614 -16.268 -41.728 1.00 88.56 C
|
| 507 |
+
ATOM 507 NZ LYS A1561 11.283 -17.293 -42.750 1.00 88.56 N
|
| 508 |
+
ATOM 508 N TYR A1562 17.830 -13.348 -42.196 1.00 91.42 N
|
| 509 |
+
ATOM 509 CA TYR A1562 19.194 -13.806 -42.425 1.00 91.42 C
|
| 510 |
+
ATOM 510 C TYR A1562 20.155 -12.897 -41.658 1.00 91.42 C
|
| 511 |
+
ATOM 511 CB TYR A1562 19.502 -13.860 -43.928 1.00 91.42 C
|
| 512 |
+
ATOM 512 O TYR A1562 20.224 -11.698 -41.928 1.00 91.42 O
|
| 513 |
+
ATOM 513 CG TYR A1562 18.503 -14.653 -44.758 1.00 91.42 C
|
| 514 |
+
ATOM 514 CD1 TYR A1562 18.266 -16.016 -44.487 1.00 91.42 C
|
| 515 |
+
ATOM 515 CD2 TYR A1562 17.821 -14.028 -45.819 1.00 91.42 C
|
| 516 |
+
ATOM 516 CE1 TYR A1562 17.364 -16.756 -45.278 1.00 91.42 C
|
| 517 |
+
ATOM 517 CE2 TYR A1562 16.922 -14.767 -46.609 1.00 91.42 C
|
| 518 |
+
ATOM 518 OH TYR A1562 15.804 -16.794 -47.122 1.00 91.42 O
|
| 519 |
+
ATOM 519 CZ TYR A1562 16.698 -16.130 -46.350 1.00 91.42 C
|
| 520 |
+
ATOM 520 N GLN A1563 20.864 -13.487 -40.699 1.00 86.57 N
|
| 521 |
+
ATOM 521 CA GLN A1563 21.904 -12.842 -39.881 1.00 86.57 C
|
| 522 |
+
ATOM 522 C GLN A1563 23.308 -13.347 -40.244 1.00 86.57 C
|
| 523 |
+
ATOM 523 CB GLN A1563 21.582 -13.097 -38.398 1.00 86.57 C
|
| 524 |
+
ATOM 524 O GLN A1563 24.297 -12.725 -39.884 1.00 86.57 O
|
| 525 |
+
ATOM 525 CG GLN A1563 20.393 -12.236 -37.943 1.00 86.57 C
|
| 526 |
+
ATOM 526 CD GLN A1563 19.437 -12.917 -36.978 1.00 86.57 C
|
| 527 |
+
ATOM 527 NE2 GLN A1563 18.182 -12.524 -36.989 1.00 86.57 N
|
| 528 |
+
ATOM 528 OE1 GLN A1563 19.776 -13.774 -36.172 1.00 86.57 O
|
| 529 |
+
ATOM 529 N SER A1564 23.386 -14.460 -40.982 1.00 90.53 N
|
| 530 |
+
ATOM 530 CA SER A1564 24.617 -15.010 -41.547 1.00 90.53 C
|
| 531 |
+
ATOM 531 C SER A1564 24.418 -15.429 -43.001 1.00 90.53 C
|
| 532 |
+
ATOM 532 CB SER A1564 25.127 -16.192 -40.714 1.00 90.53 C
|
| 533 |
+
ATOM 533 O SER A1564 23.312 -15.797 -43.421 1.00 90.53 O
|
| 534 |
+
ATOM 534 OG SER A1564 24.280 -17.325 -40.853 1.00 90.53 O
|
| 535 |
+
ATOM 535 N ARG A1565 25.506 -15.417 -43.772 1.00 91.31 N
|
| 536 |
+
ATOM 536 CA ARG A1565 25.587 -15.926 -45.146 1.00 91.31 C
|
| 537 |
+
ATOM 537 C ARG A1565 25.178 -17.387 -45.221 1.00 91.31 C
|
| 538 |
+
ATOM 538 CB ARG A1565 27.031 -15.794 -45.643 1.00 91.31 C
|
| 539 |
+
ATOM 539 O ARG A1565 24.526 -17.763 -46.184 1.00 91.31 O
|
| 540 |
+
ATOM 540 CG ARG A1565 27.453 -14.341 -45.897 1.00 91.31 C
|
| 541 |
+
ATOM 541 CD ARG A1565 28.952 -14.294 -46.202 1.00 91.31 C
|
| 542 |
+
ATOM 542 NE ARG A1565 29.773 -14.492 -44.994 1.00 91.31 N
|
| 543 |
+
ATOM 543 NH1 ARG A1565 31.783 -14.517 -46.061 1.00 91.31 N
|
| 544 |
+
ATOM 544 NH2 ARG A1565 31.720 -14.547 -43.834 1.00 91.31 N
|
| 545 |
+
ATOM 545 CZ ARG A1565 31.092 -14.529 -44.961 1.00 91.31 C
|
| 546 |
+
ATOM 546 N GLU A1566 25.509 -18.180 -44.204 1.00 90.21 N
|
| 547 |
+
ATOM 547 CA GLU A1566 25.107 -19.584 -44.079 1.00 90.21 C
|
| 548 |
+
ATOM 548 C GLU A1566 23.576 -19.723 -44.070 1.00 90.21 C
|
| 549 |
+
ATOM 549 CB GLU A1566 25.774 -20.158 -42.820 1.00 90.21 C
|
| 550 |
+
ATOM 550 O GLU A1566 23.021 -20.401 -44.929 1.00 90.21 O
|
| 551 |
+
ATOM 551 CG GLU A1566 25.626 -21.679 -42.681 1.00 90.21 C
|
| 552 |
+
ATOM 552 CD GLU A1566 26.493 -22.224 -41.532 1.00 90.21 C
|
| 553 |
+
ATOM 553 OE1 GLU A1566 27.063 -23.326 -41.700 1.00 90.21 O
|
| 554 |
+
ATOM 554 OE2 GLU A1566 26.603 -21.514 -40.504 1.00 90.21 O
|
| 555 |
+
ATOM 555 N SER A1567 22.873 -18.959 -43.221 1.00 91.82 N
|
| 556 |
+
ATOM 556 CA SER A1567 21.400 -18.989 -43.156 1.00 91.82 C
|
| 557 |
+
ATOM 557 C SER A1567 20.707 -18.561 -44.461 1.00 91.82 C
|
| 558 |
+
ATOM 558 CB SER A1567 20.911 -18.128 -41.983 1.00 91.82 C
|
| 559 |
+
ATOM 559 O SER A1567 19.608 -19.022 -44.767 1.00 91.82 O
|
| 560 |
+
ATOM 560 OG SER A1567 21.090 -16.733 -42.202 1.00 91.82 O
|
| 561 |
+
ATOM 561 N PHE A1568 21.346 -17.685 -45.242 1.00 94.62 N
|
| 562 |
+
ATOM 562 CA PHE A1568 20.890 -17.287 -46.576 1.00 94.62 C
|
| 563 |
+
ATOM 563 C PHE A1568 21.194 -18.371 -47.621 1.00 94.62 C
|
| 564 |
+
ATOM 564 CB PHE A1568 21.545 -15.940 -46.915 1.00 94.62 C
|
| 565 |
+
ATOM 565 O PHE A1568 20.324 -18.728 -48.417 1.00 94.62 O
|
| 566 |
+
ATOM 566 CG PHE A1568 21.400 -15.485 -48.354 1.00 94.62 C
|
| 567 |
+
ATOM 567 CD1 PHE A1568 22.524 -15.473 -49.201 1.00 94.62 C
|
| 568 |
+
ATOM 568 CD2 PHE A1568 20.155 -15.047 -48.841 1.00 94.62 C
|
| 569 |
+
ATOM 569 CE1 PHE A1568 22.409 -15.000 -50.520 1.00 94.62 C
|
| 570 |
+
ATOM 570 CE2 PHE A1568 20.043 -14.585 -50.165 1.00 94.62 C
|
| 571 |
+
ATOM 571 CZ PHE A1568 21.168 -14.558 -51.005 1.00 94.62 C
|
| 572 |
+
ATOM 572 N LEU A1569 22.404 -18.933 -47.590 1.00 93.88 N
|
| 573 |
+
ATOM 573 CA LEU A1569 22.846 -20.011 -48.469 1.00 93.88 C
|
| 574 |
+
ATOM 574 C LEU A1569 22.031 -21.292 -48.285 1.00 93.88 C
|
| 575 |
+
ATOM 575 CB LEU A1569 24.342 -20.285 -48.243 1.00 93.88 C
|
| 576 |
+
ATOM 576 O LEU A1569 21.807 -21.980 -49.275 1.00 93.88 O
|
| 577 |
+
ATOM 577 CG LEU A1569 25.266 -19.308 -48.989 1.00 93.88 C
|
| 578 |
+
ATOM 578 CD1 LEU A1569 26.702 -19.511 -48.504 1.00 93.88 C
|
| 579 |
+
ATOM 579 CD2 LEU A1569 25.204 -19.548 -50.503 1.00 93.88 C
|
| 580 |
+
ATOM 580 N ASP A1570 21.541 -21.600 -47.086 1.00 93.75 N
|
| 581 |
+
ATOM 581 CA ASP A1570 20.649 -22.741 -46.851 1.00 93.75 C
|
| 582 |
+
ATOM 582 C ASP A1570 19.345 -22.627 -47.653 1.00 93.75 C
|
| 583 |
+
ATOM 583 CB ASP A1570 20.339 -22.871 -45.350 1.00 93.75 C
|
| 584 |
+
ATOM 584 O ASP A1570 18.990 -23.551 -48.389 1.00 93.75 O
|
| 585 |
+
ATOM 585 CG ASP A1570 21.419 -23.607 -44.552 1.00 93.75 C
|
| 586 |
+
ATOM 586 OD1 ASP A1570 22.188 -24.377 -45.174 1.00 93.75 O
|
| 587 |
+
ATOM 587 OD2 ASP A1570 21.380 -23.463 -43.310 1.00 93.75 O
|
| 588 |
+
ATOM 588 N ASP A1571 18.661 -21.480 -47.597 1.00 94.78 N
|
| 589 |
+
ATOM 589 CA ASP A1571 17.442 -21.244 -48.385 1.00 94.78 C
|
| 590 |
+
ATOM 590 C ASP A1571 17.743 -21.181 -49.901 1.00 94.78 C
|
| 591 |
+
ATOM 591 CB ASP A1571 16.725 -19.966 -47.901 1.00 94.78 C
|
| 592 |
+
ATOM 592 O ASP A1571 16.942 -21.649 -50.715 1.00 94.78 O
|
| 593 |
+
ATOM 593 CG ASP A1571 15.665 -20.161 -46.799 1.00 94.78 C
|
| 594 |
+
ATOM 594 OD1 ASP A1571 15.298 -21.309 -46.469 1.00 94.78 O
|
| 595 |
+
ATOM 595 OD2 ASP A1571 15.117 -19.121 -46.350 1.00 94.78 O
|
| 596 |
+
ATOM 596 N VAL A1572 18.912 -20.672 -50.308 1.00 94.75 N
|
| 597 |
+
ATOM 597 CA VAL A1572 19.355 -20.680 -51.719 1.00 94.75 C
|
| 598 |
+
ATOM 598 C VAL A1572 19.641 -22.108 -52.212 1.00 94.75 C
|
| 599 |
+
ATOM 599 CB VAL A1572 20.564 -19.740 -51.912 1.00 94.75 C
|
| 600 |
+
ATOM 600 O VAL A1572 19.165 -22.503 -53.280 1.00 94.75 O
|
| 601 |
+
ATOM 601 CG1 VAL A1572 21.200 -19.869 -53.302 1.00 94.75 C
|
| 602 |
+
ATOM 602 CG2 VAL A1572 20.140 -18.277 -51.732 1.00 94.75 C
|
| 603 |
+
ATOM 603 N ASN A1573 20.342 -22.922 -51.424 1.00 95.05 N
|
| 604 |
+
ATOM 604 CA ASN A1573 20.602 -24.334 -51.711 1.00 95.05 C
|
| 605 |
+
ATOM 605 C ASN A1573 19.314 -25.170 -51.673 1.00 95.05 C
|
| 606 |
+
ATOM 606 CB ASN A1573 21.647 -24.866 -50.713 1.00 95.05 C
|
| 607 |
+
ATOM 607 O ASN A1573 19.178 -26.128 -52.438 1.00 95.05 O
|
| 608 |
+
ATOM 608 CG ASN A1573 23.062 -24.426 -51.049 1.00 95.05 C
|
| 609 |
+
ATOM 609 ND2 ASN A1573 23.845 -24.043 -50.070 1.00 95.05 N
|
| 610 |
+
ATOM 610 OD1 ASN A1573 23.487 -24.472 -52.194 1.00 95.05 O
|
| 611 |
+
ATOM 611 N LEU A1574 18.328 -24.789 -50.857 1.00 94.60 N
|
| 612 |
+
ATOM 612 CA LEU A1574 17.009 -25.418 -50.809 1.00 94.60 C
|
| 613 |
+
ATOM 613 C LEU A1574 16.239 -25.265 -52.135 1.00 94.60 C
|
| 614 |
+
ATOM 614 CB LEU A1574 16.255 -24.856 -49.589 1.00 94.60 C
|
| 615 |
+
ATOM 615 O LEU A1574 15.501 -26.180 -52.504 1.00 94.60 O
|
| 616 |
+
ATOM 616 CG LEU A1574 14.850 -25.421 -49.337 1.00 94.60 C
|
| 617 |
+
ATOM 617 CD1 LEU A1574 14.841 -26.941 -49.148 1.00 94.60 C
|
| 618 |
+
ATOM 618 CD2 LEU A1574 14.266 -24.779 -48.079 1.00 94.60 C
|
| 619 |
+
ATOM 619 N ILE A1575 16.449 -24.191 -52.910 1.00 94.85 N
|
| 620 |
+
ATOM 620 CA ILE A1575 15.904 -24.075 -54.281 1.00 94.85 C
|
| 621 |
+
ATOM 621 C ILE A1575 16.463 -25.194 -55.174 1.00 94.85 C
|
| 622 |
+
ATOM 622 CB ILE A1575 16.165 -22.674 -54.894 1.00 94.85 C
|
| 623 |
+
ATOM 623 O ILE A1575 15.699 -25.901 -55.839 1.00 94.85 O
|
| 624 |
+
ATOM 624 CG1 ILE A1575 15.462 -21.586 -54.051 1.00 94.85 C
|
| 625 |
+
ATOM 625 CG2 ILE A1575 15.670 -22.619 -56.354 1.00 94.85 C
|
| 626 |
+
ATOM 626 CD1 ILE A1575 15.661 -20.146 -54.541 1.00 94.85 C
|
| 627 |
+
ATOM 627 N LEU A1576 17.782 -25.408 -55.154 1.00 94.74 N
|
| 628 |
+
ATOM 628 CA LEU A1576 18.436 -26.483 -55.905 1.00 94.74 C
|
| 629 |
+
ATOM 629 C LEU A1576 18.003 -27.868 -55.407 1.00 94.74 C
|
| 630 |
+
ATOM 630 CB LEU A1576 19.958 -26.270 -55.848 1.00 94.74 C
|
| 631 |
+
ATOM 631 O LEU A1576 17.600 -28.699 -56.220 1.00 94.74 O
|
| 632 |
+
ATOM 632 CG LEU A1576 20.808 -27.420 -56.420 1.00 94.74 C
|
| 633 |
+
ATOM 633 CD1 LEU A1576 20.545 -27.655 -57.909 1.00 94.74 C
|
| 634 |
+
ATOM 634 CD2 LEU A1576 22.285 -27.094 -56.224 1.00 94.74 C
|
| 635 |
+
ATOM 635 N ALA A1577 18.008 -28.112 -54.096 1.00 94.82 N
|
| 636 |
+
ATOM 636 CA ALA A1577 17.604 -29.390 -53.510 1.00 94.82 C
|
| 637 |
+
ATOM 637 C ALA A1577 16.145 -29.748 -53.848 1.00 94.82 C
|
| 638 |
+
ATOM 638 CB ALA A1577 17.835 -29.324 -51.996 1.00 94.82 C
|
| 639 |
+
ATOM 639 O ALA A1577 15.854 -30.888 -54.218 1.00 94.82 O
|
| 640 |
+
ATOM 640 N ASN A1578 15.232 -28.772 -53.808 1.00 94.62 N
|
| 641 |
+
ATOM 641 CA ASN A1578 13.847 -28.949 -54.244 1.00 94.62 C
|
| 642 |
+
ATOM 642 C ASN A1578 13.749 -29.206 -55.755 1.00 94.62 C
|
| 643 |
+
ATOM 643 CB ASN A1578 13.031 -27.714 -53.842 1.00 94.62 C
|
| 644 |
+
ATOM 644 O ASN A1578 12.999 -30.089 -56.175 1.00 94.62 O
|
| 645 |
+
ATOM 645 CG ASN A1578 12.748 -27.638 -52.352 1.00 94.62 C
|
| 646 |
+
ATOM 646 ND2 ASN A1578 12.519 -26.448 -51.855 1.00 94.62 N
|
| 647 |
+
ATOM 647 OD1 ASN A1578 12.651 -28.636 -51.652 1.00 94.62 O
|
| 648 |
+
ATOM 648 N SER A1579 14.535 -28.497 -56.572 1.00 93.77 N
|
| 649 |
+
ATOM 649 CA SER A1579 14.573 -28.708 -58.024 1.00 93.77 C
|
| 650 |
+
ATOM 650 C SER A1579 15.076 -30.114 -58.382 1.00 93.77 C
|
| 651 |
+
ATOM 651 CB SER A1579 15.414 -27.621 -58.700 1.00 93.77 C
|
| 652 |
+
ATOM 652 O SER A1579 14.422 -30.805 -59.162 1.00 93.77 O
|
| 653 |
+
ATOM 653 OG SER A1579 15.143 -27.606 -60.089 1.00 93.77 O
|
| 654 |
+
ATOM 654 N VAL A1580 16.143 -30.603 -57.734 1.00 94.39 N
|
| 655 |
+
ATOM 655 CA VAL A1580 16.620 -31.996 -57.853 1.00 94.39 C
|
| 656 |
+
ATOM 656 C VAL A1580 15.535 -32.982 -57.409 1.00 94.39 C
|
| 657 |
+
ATOM 657 CB VAL A1580 17.900 -32.238 -57.016 1.00 94.39 C
|
| 658 |
+
ATOM 658 O VAL A1580 15.275 -33.957 -58.114 1.00 94.39 O
|
| 659 |
+
ATOM 659 CG1 VAL A1580 18.352 -33.707 -57.058 1.00 94.39 C
|
| 660 |
+
ATOM 660 CG2 VAL A1580 19.105 -31.420 -57.493 1.00 94.39 C
|
| 661 |
+
ATOM 661 N LYS A1581 14.887 -32.744 -56.261 1.00 93.11 N
|
| 662 |
+
ATOM 662 CA LYS A1581 13.903 -33.667 -55.673 1.00 93.11 C
|
| 663 |
+
ATOM 663 C LYS A1581 12.609 -33.775 -56.488 1.00 93.11 C
|
| 664 |
+
ATOM 664 CB LYS A1581 13.636 -33.248 -54.217 1.00 93.11 C
|
| 665 |
+
ATOM 665 O LYS A1581 12.018 -34.852 -56.513 1.00 93.11 O
|
| 666 |
+
ATOM 666 CG LYS A1581 12.771 -34.273 -53.468 1.00 93.11 C
|
| 667 |
+
ATOM 667 CD LYS A1581 12.478 -33.831 -52.032 1.00 93.11 C
|
| 668 |
+
ATOM 668 CE LYS A1581 11.660 -34.928 -51.342 1.00 93.11 C
|
| 669 |
+
ATOM 669 NZ LYS A1581 10.924 -34.403 -50.169 1.00 93.11 N
|
| 670 |
+
ATOM 670 N TYR A1582 12.166 -32.695 -57.136 1.00 93.66 N
|
| 671 |
+
ATOM 671 CA TYR A1582 10.949 -32.694 -57.956 1.00 93.66 C
|
| 672 |
+
ATOM 672 C TYR A1582 11.220 -33.015 -59.436 1.00 93.66 C
|
| 673 |
+
ATOM 673 CB TYR A1582 10.199 -31.363 -57.783 1.00 93.66 C
|
| 674 |
+
ATOM 674 O TYR A1582 10.522 -33.838 -60.022 1.00 93.66 O
|
| 675 |
+
ATOM 675 CG TYR A1582 8.818 -31.394 -58.411 1.00 93.66 C
|
| 676 |
+
ATOM 676 CD1 TYR A1582 8.607 -30.843 -59.688 1.00 93.66 C
|
| 677 |
+
ATOM 677 CD2 TYR A1582 7.766 -32.065 -57.755 1.00 93.66 C
|
| 678 |
+
ATOM 678 CE1 TYR A1582 7.363 -31.008 -60.326 1.00 93.66 C
|
| 679 |
+
ATOM 679 CE2 TYR A1582 6.517 -32.230 -58.390 1.00 93.66 C
|
| 680 |
+
ATOM 680 OH TYR A1582 5.155 -31.921 -60.363 1.00 93.66 O
|
| 681 |
+
ATOM 681 CZ TYR A1582 6.321 -31.722 -59.693 1.00 93.66 C
|
| 682 |
+
ATOM 682 N ASN A1583 12.245 -32.406 -60.045 1.00 91.20 N
|
| 683 |
+
ATOM 683 CA ASN A1583 12.516 -32.524 -61.485 1.00 91.20 C
|
| 684 |
+
ATOM 684 C ASN A1583 13.560 -33.598 -61.851 1.00 91.20 C
|
| 685 |
+
ATOM 685 CB ASN A1583 12.975 -31.165 -62.038 1.00 91.20 C
|
| 686 |
+
ATOM 686 O ASN A1583 13.696 -33.945 -63.026 1.00 91.20 O
|
| 687 |
+
ATOM 687 CG ASN A1583 12.044 -30.009 -61.749 1.00 91.20 C
|
| 688 |
+
ATOM 688 ND2 ASN A1583 12.471 -29.041 -60.975 1.00 91.20 N
|
| 689 |
+
ATOM 689 OD1 ASN A1583 10.948 -29.935 -62.272 1.00 91.20 O
|
| 690 |
+
ATOM 690 N GLY A1584 14.332 -34.093 -60.881 1.00 89.35 N
|
| 691 |
+
ATOM 691 CA GLY A1584 15.500 -34.946 -61.109 1.00 89.35 C
|
| 692 |
+
ATOM 692 C GLY A1584 16.765 -34.169 -61.525 1.00 89.35 C
|
| 693 |
+
ATOM 693 O GLY A1584 16.682 -33.032 -62.000 1.00 89.35 O
|
| 694 |
+
ATOM 694 N PRO A1585 17.963 -34.770 -61.381 1.00 90.36 N
|
| 695 |
+
ATOM 695 CA PRO A1585 19.244 -34.089 -61.614 1.00 90.36 C
|
| 696 |
+
ATOM 696 C PRO A1585 19.477 -33.672 -63.075 1.00 90.36 C
|
| 697 |
+
ATOM 697 CB PRO A1585 20.316 -35.070 -61.126 1.00 90.36 C
|
| 698 |
+
ATOM 698 O PRO A1585 20.172 -32.696 -63.337 1.00 90.36 O
|
| 699 |
+
ATOM 699 CG PRO A1585 19.648 -36.438 -61.257 1.00 90.36 C
|
| 700 |
+
ATOM 700 CD PRO A1585 18.190 -36.131 -60.918 1.00 90.36 C
|
| 701 |
+
ATOM 701 N GLU A1586 18.880 -34.376 -64.041 1.00 88.23 N
|
| 702 |
+
ATOM 702 CA GLU A1586 19.087 -34.101 -65.470 1.00 88.23 C
|
| 703 |
+
ATOM 703 C GLU A1586 18.204 -32.983 -66.045 1.00 88.23 C
|
| 704 |
+
ATOM 704 CB GLU A1586 18.921 -35.397 -66.283 1.00 88.23 C
|
| 705 |
+
ATOM 705 O GLU A1586 18.419 -32.565 -67.188 1.00 88.23 O
|
| 706 |
+
ATOM 706 CG GLU A1586 20.115 -36.351 -66.128 1.00 88.23 C
|
| 707 |
+
ATOM 707 CD GLU A1586 21.445 -35.762 -66.635 1.00 88.23 C
|
| 708 |
+
ATOM 708 OE1 GLU A1586 22.489 -36.351 -66.298 1.00 88.23 O
|
| 709 |
+
ATOM 709 OE2 GLU A1586 21.423 -34.729 -67.357 1.00 88.23 O
|
| 710 |
+
ATOM 710 N SER A1587 17.223 -32.487 -65.287 1.00 91.17 N
|
| 711 |
+
ATOM 711 CA SER A1587 16.302 -31.454 -65.766 1.00 91.17 C
|
| 712 |
+
ATOM 712 C SER A1587 17.004 -30.121 -66.032 1.00 91.17 C
|
| 713 |
+
ATOM 713 CB SER A1587 15.157 -31.264 -64.777 1.00 91.17 C
|
| 714 |
+
ATOM 714 O SER A1587 17.922 -29.726 -65.312 1.00 91.17 O
|
| 715 |
+
ATOM 715 OG SER A1587 14.241 -30.308 -65.281 1.00 91.17 O
|
| 716 |
+
ATOM 716 N GLN A1588 16.523 -29.387 -67.040 1.00 90.63 N
|
| 717 |
+
ATOM 717 CA GLN A1588 17.005 -28.035 -67.329 1.00 90.63 C
|
| 718 |
+
ATOM 718 C GLN A1588 16.741 -27.090 -66.150 1.00 90.63 C
|
| 719 |
+
ATOM 719 CB GLN A1588 16.370 -27.490 -68.620 1.00 90.63 C
|
| 720 |
+
ATOM 720 O GLN A1588 17.629 -26.338 -65.773 1.00 90.63 O
|
| 721 |
+
ATOM 721 CG GLN A1588 16.595 -28.343 -69.884 1.00 90.63 C
|
| 722 |
+
ATOM 722 CD GLN A1588 18.048 -28.466 -70.350 1.00 90.63 C
|
| 723 |
+
ATOM 723 NE2 GLN A1588 18.271 -28.888 -71.575 1.00 90.63 N
|
| 724 |
+
ATOM 724 OE1 GLN A1588 19.016 -28.238 -69.652 1.00 90.63 O
|
| 725 |
+
ATOM 725 N TYR A1589 15.589 -27.218 -65.479 1.00 91.71 N
|
| 726 |
+
ATOM 726 CA TYR A1589 15.290 -26.465 -64.256 1.00 91.71 C
|
| 727 |
+
ATOM 727 C TYR A1589 16.329 -26.714 -63.153 1.00 91.71 C
|
| 728 |
+
ATOM 728 CB TYR A1589 13.887 -26.847 -63.757 1.00 91.71 C
|
| 729 |
+
ATOM 729 O TYR A1589 16.701 -25.799 -62.427 1.00 91.71 O
|
| 730 |
+
ATOM 730 CG TYR A1589 12.763 -26.559 -64.734 1.00 91.71 C
|
| 731 |
+
ATOM 731 CD1 TYR A1589 12.588 -25.255 -65.238 1.00 91.71 C
|
| 732 |
+
ATOM 732 CD2 TYR A1589 11.879 -27.585 -65.124 1.00 91.71 C
|
| 733 |
+
ATOM 733 CE1 TYR A1589 11.547 -24.979 -66.145 1.00 91.71 C
|
| 734 |
+
ATOM 734 CE2 TYR A1589 10.839 -27.313 -66.035 1.00 91.71 C
|
| 735 |
+
ATOM 735 OH TYR A1589 9.668 -25.747 -67.421 1.00 91.71 O
|
| 736 |
+
ATOM 736 CZ TYR A1589 10.672 -26.010 -66.545 1.00 91.71 C
|
| 737 |
+
ATOM 737 N THR A1590 16.842 -27.938 -63.035 1.00 93.98 N
|
| 738 |
+
ATOM 738 CA THR A1590 17.882 -28.280 -62.056 1.00 93.98 C
|
| 739 |
+
ATOM 739 C THR A1590 19.238 -27.687 -62.439 1.00 93.98 C
|
| 740 |
+
ATOM 740 CB THR A1590 17.975 -29.800 -61.887 1.00 93.98 C
|
| 741 |
+
ATOM 741 O THR A1590 19.966 -27.211 -61.573 1.00 93.98 O
|
| 742 |
+
ATOM 742 CG2 THR A1590 18.797 -30.170 -60.663 1.00 93.98 C
|
| 743 |
+
ATOM 743 OG1 THR A1590 16.684 -30.329 -61.684 1.00 93.98 O
|
| 744 |
+
ATOM 744 N LYS A1591 19.551 -27.635 -63.739 1.00 93.66 N
|
| 745 |
+
ATOM 745 CA LYS A1591 20.773 -27.010 -64.270 1.00 93.66 C
|
| 746 |
+
ATOM 746 C LYS A1591 20.755 -25.488 -64.081 1.00 93.66 C
|
| 747 |
+
ATOM 747 CB LYS A1591 20.978 -27.464 -65.729 1.00 93.66 C
|
| 748 |
+
ATOM 748 O LYS A1591 21.726 -24.944 -63.566 1.00 93.66 O
|
| 749 |
+
ATOM 749 CG LYS A1591 21.412 -28.943 -65.740 1.00 93.66 C
|
| 750 |
+
ATOM 750 CD LYS A1591 21.183 -29.682 -67.064 1.00 93.66 C
|
| 751 |
+
ATOM 751 CE LYS A1591 21.639 -31.134 -66.842 1.00 93.66 C
|
| 752 |
+
ATOM 752 NZ LYS A1591 21.107 -32.076 -67.854 1.00 93.66 N
|
| 753 |
+
ATOM 753 N THR A1592 19.631 -24.824 -64.350 1.00 94.63 N
|
| 754 |
+
ATOM 754 CA THR A1592 19.449 -23.395 -64.043 1.00 94.63 C
|
| 755 |
+
ATOM 755 C THR A1592 19.478 -23.119 -62.537 1.00 94.63 C
|
| 756 |
+
ATOM 756 CB THR A1592 18.129 -22.881 -64.631 1.00 94.63 C
|
| 757 |
+
ATOM 757 O THR A1592 20.099 -22.151 -62.112 1.00 94.63 O
|
| 758 |
+
ATOM 758 CG2 THR A1592 17.994 -21.369 -64.523 1.00 94.63 C
|
| 759 |
+
ATOM 759 OG1 THR A1592 18.031 -23.199 -65.997 1.00 94.63 O
|
| 760 |
+
ATOM 760 N ALA A1593 18.876 -23.974 -61.699 1.00 94.86 N
|
| 761 |
+
ATOM 761 CA ALA A1593 18.971 -23.835 -60.242 1.00 94.86 C
|
| 762 |
+
ATOM 762 C ALA A1593 20.424 -23.946 -59.744 1.00 94.86 C
|
| 763 |
+
ATOM 763 CB ALA A1593 18.061 -24.866 -59.565 1.00 94.86 C
|
| 764 |
+
ATOM 764 O ALA A1593 20.838 -23.166 -58.889 1.00 94.86 O
|
| 765 |
+
ATOM 765 N GLN A1594 21.219 -24.856 -60.316 1.00 94.47 N
|
| 766 |
+
ATOM 766 CA GLN A1594 22.650 -24.960 -60.021 1.00 94.47 C
|
| 767 |
+
ATOM 767 C GLN A1594 23.411 -23.699 -60.456 1.00 94.47 C
|
| 768 |
+
ATOM 768 CB GLN A1594 23.214 -26.219 -60.703 1.00 94.47 C
|
| 769 |
+
ATOM 769 O GLN A1594 24.297 -23.248 -59.737 1.00 94.47 O
|
| 770 |
+
ATOM 770 CG GLN A1594 24.686 -26.500 -60.363 1.00 94.47 C
|
| 771 |
+
ATOM 771 CD GLN A1594 24.873 -26.889 -58.903 1.00 94.47 C
|
| 772 |
+
ATOM 772 NE2 GLN A1594 25.369 -26.013 -58.057 1.00 94.47 N
|
| 773 |
+
ATOM 773 OE1 GLN A1594 24.566 -28.001 -58.510 1.00 94.47 O
|
| 774 |
+
ATOM 774 N GLU A1595 23.066 -23.101 -61.597 1.00 94.40 N
|
| 775 |
+
ATOM 775 CA GLU A1595 23.686 -21.858 -62.072 1.00 94.40 C
|
| 776 |
+
ATOM 776 C GLU A1595 23.344 -20.654 -61.173 1.00 94.40 C
|
| 777 |
+
ATOM 777 CB GLU A1595 23.305 -21.647 -63.545 1.00 94.40 C
|
| 778 |
+
ATOM 778 O GLU A1595 24.240 -19.890 -60.816 1.00 94.40 O
|
| 779 |
+
ATOM 779 CG GLU A1595 24.168 -20.575 -64.230 1.00 94.40 C
|
| 780 |
+
ATOM 780 CD GLU A1595 24.025 -20.567 -65.764 1.00 94.40 C
|
| 781 |
+
ATOM 781 OE1 GLU A1595 24.837 -19.864 -66.406 1.00 94.40 O
|
| 782 |
+
ATOM 782 OE2 GLU A1595 23.143 -21.282 -66.294 1.00 94.40 O
|
| 783 |
+
ATOM 783 N ILE A1596 22.094 -20.548 -60.702 1.00 94.45 N
|
| 784 |
+
ATOM 784 CA ILE A1596 21.665 -19.561 -59.692 1.00 94.45 C
|
| 785 |
+
ATOM 785 C ILE A1596 22.482 -19.702 -58.398 1.00 94.45 C
|
| 786 |
+
ATOM 786 CB ILE A1596 20.145 -19.700 -59.423 1.00 94.45 C
|
| 787 |
+
ATOM 787 O ILE A1596 22.989 -18.704 -57.882 1.00 94.45 O
|
| 788 |
+
ATOM 788 CG1 ILE A1596 19.315 -19.269 -60.654 1.00 94.45 C
|
| 789 |
+
ATOM 789 CG2 ILE A1596 19.704 -18.878 -58.198 1.00 94.45 C
|
| 790 |
+
ATOM 790 CD1 ILE A1596 17.851 -19.729 -60.575 1.00 94.45 C
|
| 791 |
+
ATOM 791 N VAL A1597 22.644 -20.931 -57.893 1.00 94.59 N
|
| 792 |
+
ATOM 792 CA VAL A1597 23.469 -21.230 -56.708 1.00 94.59 C
|
| 793 |
+
ATOM 793 C VAL A1597 24.934 -20.845 -56.951 1.00 94.59 C
|
| 794 |
+
ATOM 794 CB VAL A1597 23.320 -22.717 -56.314 1.00 94.59 C
|
| 795 |
+
ATOM 795 O VAL A1597 25.530 -20.156 -56.127 1.00 94.59 O
|
| 796 |
+
ATOM 796 CG1 VAL A1597 24.334 -23.165 -55.259 1.00 94.59 C
|
| 797 |
+
ATOM 797 CG2 VAL A1597 21.930 -22.996 -55.732 1.00 94.59 C
|
| 798 |
+
ATOM 798 N ASN A1598 25.509 -21.211 -58.099 1.00 93.86 N
|
| 799 |
+
ATOM 799 CA ASN A1598 26.905 -20.913 -58.431 1.00 93.86 C
|
| 800 |
+
ATOM 800 C ASN A1598 27.181 -19.398 -58.508 1.00 93.86 C
|
| 801 |
+
ATOM 801 CB ASN A1598 27.269 -21.592 -59.763 1.00 93.86 C
|
| 802 |
+
ATOM 802 O ASN A1598 28.193 -18.933 -57.984 1.00 93.86 O
|
| 803 |
+
ATOM 803 CG ASN A1598 27.296 -23.112 -59.729 1.00 93.86 C
|
| 804 |
+
ATOM 804 ND2 ASN A1598 27.507 -23.729 -60.869 1.00 93.86 N
|
| 805 |
+
ATOM 805 OD1 ASN A1598 27.152 -23.779 -58.719 1.00 93.86 O
|
| 806 |
+
ATOM 806 N VAL A1599 26.282 -18.624 -59.128 1.00 93.93 N
|
| 807 |
+
ATOM 807 CA VAL A1599 26.379 -17.153 -59.203 1.00 93.93 C
|
| 808 |
+
ATOM 808 C VAL A1599 26.215 -16.515 -57.820 1.00 93.93 C
|
| 809 |
+
ATOM 809 CB VAL A1599 25.348 -16.602 -60.213 1.00 93.93 C
|
| 810 |
+
ATOM 810 O VAL A1599 26.923 -15.558 -57.497 1.00 93.93 O
|
| 811 |
+
ATOM 811 CG1 VAL A1599 25.188 -15.075 -60.162 1.00 93.93 C
|
| 812 |
+
ATOM 812 CG2 VAL A1599 25.780 -16.971 -61.639 1.00 93.93 C
|
| 813 |
+
ATOM 813 N CYS A1600 25.333 -17.060 -56.978 1.00 93.42 N
|
| 814 |
+
ATOM 814 CA CYS A1600 25.184 -16.630 -55.589 1.00 93.42 C
|
| 815 |
+
ATOM 815 C CYS A1600 26.486 -16.827 -54.795 1.00 93.42 C
|
| 816 |
+
ATOM 816 CB CYS A1600 24.007 -17.389 -54.971 1.00 93.42 C
|
| 817 |
+
ATOM 817 O CYS A1600 26.998 -15.864 -54.231 1.00 93.42 O
|
| 818 |
+
ATOM 818 SG CYS A1600 23.635 -16.703 -53.338 1.00 93.42 S
|
| 819 |
+
ATOM 819 N TYR A1601 27.087 -18.022 -54.836 1.00 92.21 N
|
| 820 |
+
ATOM 820 CA TYR A1601 28.374 -18.285 -54.180 1.00 92.21 C
|
| 821 |
+
ATOM 821 C TYR A1601 29.483 -17.341 -54.665 1.00 92.21 C
|
| 822 |
+
ATOM 822 CB TYR A1601 28.787 -19.753 -54.372 1.00 92.21 C
|
| 823 |
+
ATOM 823 O TYR A1601 30.144 -16.716 -53.841 1.00 92.21 O
|
| 824 |
+
ATOM 824 CG TYR A1601 28.235 -20.690 -53.315 1.00 92.21 C
|
| 825 |
+
ATOM 825 CD1 TYR A1601 28.762 -20.645 -52.009 1.00 92.21 C
|
| 826 |
+
ATOM 826 CD2 TYR A1601 27.217 -21.612 -53.626 1.00 92.21 C
|
| 827 |
+
ATOM 827 CE1 TYR A1601 28.265 -21.508 -51.014 1.00 92.21 C
|
| 828 |
+
ATOM 828 CE2 TYR A1601 26.710 -22.471 -52.630 1.00 92.21 C
|
| 829 |
+
ATOM 829 OH TYR A1601 26.715 -23.223 -50.355 1.00 92.21 O
|
| 830 |
+
ATOM 830 CZ TYR A1601 27.228 -22.415 -51.320 1.00 92.21 C
|
| 831 |
+
ATOM 831 N GLN A1602 29.650 -17.174 -55.983 1.00 90.40 N
|
| 832 |
+
ATOM 832 CA GLN A1602 30.673 -16.280 -56.545 1.00 90.40 C
|
| 833 |
+
ATOM 833 C GLN A1602 30.506 -14.831 -56.067 1.00 90.40 C
|
| 834 |
+
ATOM 834 CB GLN A1602 30.618 -16.338 -58.081 1.00 90.40 C
|
| 835 |
+
ATOM 835 O GLN A1602 31.486 -14.177 -55.723 1.00 90.40 O
|
| 836 |
+
ATOM 836 CG GLN A1602 31.193 -17.657 -58.619 1.00 90.40 C
|
| 837 |
+
ATOM 837 CD GLN A1602 30.980 -17.849 -60.119 1.00 90.40 C
|
| 838 |
+
ATOM 838 NE2 GLN A1602 31.310 -19.009 -60.644 1.00 90.40 N
|
| 839 |
+
ATOM 839 OE1 GLN A1602 30.528 -16.994 -60.860 1.00 90.40 O
|
| 840 |
+
ATOM 840 N THR A1603 29.270 -14.335 -55.997 1.00 90.51 N
|
| 841 |
+
ATOM 841 CA THR A1603 29.002 -12.951 -55.573 1.00 90.51 C
|
| 842 |
+
ATOM 842 C THR A1603 29.043 -12.755 -54.063 1.00 90.51 C
|
| 843 |
+
ATOM 843 CB THR A1603 27.704 -12.409 -56.172 1.00 90.51 C
|
| 844 |
+
ATOM 844 O THR A1603 29.415 -11.677 -53.614 1.00 90.51 O
|
| 845 |
+
ATOM 845 CG2 THR A1603 27.875 -12.256 -57.675 1.00 90.51 C
|
| 846 |
+
ATOM 846 OG1 THR A1603 26.595 -13.259 -56.002 1.00 90.51 O
|
| 847 |
+
ATOM 847 N LEU A1604 28.776 -13.787 -53.262 1.00 90.81 N
|
| 848 |
+
ATOM 848 CA LEU A1604 29.074 -13.759 -51.828 1.00 90.81 C
|
| 849 |
+
ATOM 849 C LEU A1604 30.589 -13.717 -51.564 1.00 90.81 C
|
| 850 |
+
ATOM 850 CB LEU A1604 28.402 -14.959 -51.144 1.00 90.81 C
|
| 851 |
+
ATOM 851 O LEU A1604 31.005 -13.051 -50.622 1.00 90.81 O
|
| 852 |
+
ATOM 852 CG LEU A1604 26.867 -14.842 -51.062 1.00 90.81 C
|
| 853 |
+
ATOM 853 CD1 LEU A1604 26.294 -16.198 -50.666 1.00 90.81 C
|
| 854 |
+
ATOM 854 CD2 LEU A1604 26.412 -13.817 -50.022 1.00 90.81 C
|
| 855 |
+
ATOM 855 N THR A1605 31.415 -14.342 -52.416 1.00 88.12 N
|
| 856 |
+
ATOM 856 CA THR A1605 32.882 -14.192 -52.367 1.00 88.12 C
|
| 857 |
+
ATOM 857 C THR A1605 33.349 -12.799 -52.819 1.00 88.12 C
|
| 858 |
+
ATOM 858 CB THR A1605 33.593 -15.283 -53.188 1.00 88.12 C
|
| 859 |
+
ATOM 859 O THR A1605 34.291 -12.269 -52.239 1.00 88.12 O
|
| 860 |
+
ATOM 860 CG2 THR A1605 35.091 -15.363 -52.896 1.00 88.12 C
|
| 861 |
+
ATOM 861 OG1 THR A1605 33.082 -16.561 -52.883 1.00 88.12 O
|
| 862 |
+
ATOM 862 N GLU A1606 32.681 -12.154 -53.788 1.00 87.43 N
|
| 863 |
+
ATOM 863 CA GLU A1606 32.961 -10.747 -54.165 1.00 87.43 C
|
| 864 |
+
ATOM 864 C GLU A1606 32.743 -9.755 -52.999 1.00 87.43 C
|
| 865 |
+
ATOM 865 CB GLU A1606 32.097 -10.294 -55.371 1.00 87.43 C
|
| 866 |
+
ATOM 866 O GLU A1606 33.348 -8.684 -52.996 1.00 87.43 O
|
| 867 |
+
ATOM 867 CG GLU A1606 32.472 -10.894 -56.742 1.00 87.43 C
|
| 868 |
+
ATOM 868 CD GLU A1606 31.527 -10.479 -57.901 1.00 87.43 C
|
| 869 |
+
ATOM 869 OE1 GLU A1606 31.761 -10.890 -59.060 1.00 87.43 O
|
| 870 |
+
ATOM 870 OE2 GLU A1606 30.507 -9.769 -57.701 1.00 87.43 O
|
| 871 |
+
ATOM 871 N TYR A1607 31.906 -10.101 -52.012 1.00 86.16 N
|
| 872 |
+
ATOM 872 CA TYR A1607 31.590 -9.273 -50.838 1.00 86.16 C
|
| 873 |
+
ATOM 873 C TYR A1607 32.110 -9.854 -49.505 1.00 86.16 C
|
| 874 |
+
ATOM 874 CB TYR A1607 30.074 -8.991 -50.804 1.00 86.16 C
|
| 875 |
+
ATOM 875 O TYR A1607 31.664 -9.418 -48.443 1.00 86.16 O
|
| 876 |
+
ATOM 876 CG TYR A1607 29.558 -8.096 -51.917 1.00 86.16 C
|
| 877 |
+
ATOM 877 CD1 TYR A1607 29.940 -6.741 -51.956 1.00 86.16 C
|
| 878 |
+
ATOM 878 CD2 TYR A1607 28.679 -8.601 -52.893 1.00 86.16 C
|
| 879 |
+
ATOM 879 CE1 TYR A1607 29.463 -5.900 -52.980 1.00 86.16 C
|
| 880 |
+
ATOM 880 CE2 TYR A1607 28.198 -7.768 -53.920 1.00 86.16 C
|
| 881 |
+
ATOM 881 OH TYR A1607 28.135 -5.604 -54.957 1.00 86.16 O
|
| 882 |
+
ATOM 882 CZ TYR A1607 28.595 -6.416 -53.967 1.00 86.16 C
|
| 883 |
+
ATOM 883 N ASP A1608 33.038 -10.818 -49.535 1.00 86.32 N
|
| 884 |
+
ATOM 884 CA ASP A1608 33.446 -11.613 -48.363 1.00 86.32 C
|
| 885 |
+
ATOM 885 C ASP A1608 33.918 -10.768 -47.165 1.00 86.32 C
|
| 886 |
+
ATOM 886 CB ASP A1608 34.531 -12.612 -48.789 1.00 86.32 C
|
| 887 |
+
ATOM 887 O ASP A1608 33.404 -10.939 -46.059 1.00 86.32 O
|
| 888 |
+
ATOM 888 CG ASP A1608 34.888 -13.573 -47.655 1.00 86.32 C
|
| 889 |
+
ATOM 889 OD1 ASP A1608 34.075 -14.493 -47.408 1.00 86.32 O
|
| 890 |
+
ATOM 890 OD2 ASP A1608 35.947 -13.379 -47.029 1.00 86.32 O
|
| 891 |
+
ATOM 891 N GLU A1609 34.815 -9.799 -47.384 1.00 82.97 N
|
| 892 |
+
ATOM 892 CA GLU A1609 35.334 -8.914 -46.327 1.00 82.97 C
|
| 893 |
+
ATOM 893 C GLU A1609 34.217 -8.080 -45.671 1.00 82.97 C
|
| 894 |
+
ATOM 894 CB GLU A1609 36.397 -7.957 -46.907 1.00 82.97 C
|
| 895 |
+
ATOM 895 O GLU A1609 34.131 -7.985 -44.446 1.00 82.97 O
|
| 896 |
+
ATOM 896 CG GLU A1609 37.649 -8.658 -47.463 1.00 82.97 C
|
| 897 |
+
ATOM 897 CD GLU A1609 38.733 -7.666 -47.934 1.00 82.97 C
|
| 898 |
+
ATOM 898 OE1 GLU A1609 39.924 -8.055 -47.925 1.00 82.97 O
|
| 899 |
+
ATOM 899 OE2 GLU A1609 38.378 -6.526 -48.317 1.00 82.97 O
|
| 900 |
+
ATOM 900 N HIS A1610 33.325 -7.509 -46.488 1.00 82.86 N
|
| 901 |
+
ATOM 901 CA HIS A1610 32.224 -6.660 -46.024 1.00 82.86 C
|
| 902 |
+
ATOM 902 C HIS A1610 31.162 -7.469 -45.269 1.00 82.86 C
|
| 903 |
+
ATOM 903 CB HIS A1610 31.576 -5.951 -47.225 1.00 82.86 C
|
| 904 |
+
ATOM 904 O HIS A1610 30.677 -7.035 -44.226 1.00 82.86 O
|
| 905 |
+
ATOM 905 CG HIS A1610 32.328 -4.766 -47.786 1.00 82.86 C
|
| 906 |
+
ATOM 906 CD2 HIS A1610 33.680 -4.626 -47.981 1.00 82.86 C
|
| 907 |
+
ATOM 907 ND1 HIS A1610 31.738 -3.602 -48.222 1.00 82.86 N
|
| 908 |
+
ATOM 908 CE1 HIS A1610 32.703 -2.781 -48.664 1.00 82.86 C
|
| 909 |
+
ATOM 909 NE2 HIS A1610 33.902 -3.361 -48.544 1.00 82.86 N
|
| 910 |
+
ATOM 910 N LEU A1611 30.797 -8.646 -45.786 1.00 88.49 N
|
| 911 |
+
ATOM 911 CA LEU A1611 29.805 -9.514 -45.156 1.00 88.49 C
|
| 912 |
+
ATOM 912 C LEU A1611 30.343 -10.124 -43.859 1.00 88.49 C
|
| 913 |
+
ATOM 913 CB LEU A1611 29.348 -10.595 -46.149 1.00 88.49 C
|
| 914 |
+
ATOM 914 O LEU A1611 29.603 -10.167 -42.886 1.00 88.49 O
|
| 915 |
+
ATOM 915 CG LEU A1611 28.497 -10.055 -47.315 1.00 88.49 C
|
| 916 |
+
ATOM 916 CD1 LEU A1611 28.320 -11.135 -48.383 1.00 88.49 C
|
| 917 |
+
ATOM 917 CD2 LEU A1611 27.097 -9.632 -46.862 1.00 88.49 C
|
| 918 |
+
ATOM 918 N THR A1612 31.620 -10.517 -43.807 1.00 87.27 N
|
| 919 |
+
ATOM 919 CA THR A1612 32.249 -11.045 -42.581 1.00 87.27 C
|
| 920 |
+
ATOM 920 C THR A1612 32.294 -9.997 -41.464 1.00 87.27 C
|
| 921 |
+
ATOM 921 CB THR A1612 33.673 -11.553 -42.864 1.00 87.27 C
|
| 922 |
+
ATOM 922 O THR A1612 32.088 -10.334 -40.299 1.00 87.27 O
|
| 923 |
+
ATOM 923 CG2 THR A1612 34.310 -12.245 -41.659 1.00 87.27 C
|
| 924 |
+
ATOM 924 OG1 THR A1612 33.665 -12.515 -43.894 1.00 87.27 O
|
| 925 |
+
ATOM 925 N GLN A1613 32.529 -8.722 -41.798 1.00 86.63 N
|
| 926 |
+
ATOM 926 CA GLN A1613 32.478 -7.638 -40.815 1.00 86.63 C
|
| 927 |
+
ATOM 927 C GLN A1613 31.040 -7.405 -40.315 1.00 86.63 C
|
| 928 |
+
ATOM 928 CB GLN A1613 33.139 -6.381 -41.408 1.00 86.63 C
|
| 929 |
+
ATOM 929 O GLN A1613 30.816 -7.427 -39.109 1.00 86.63 O
|
| 930 |
+
ATOM 930 CG GLN A1613 33.245 -5.216 -40.411 1.00 86.63 C
|
| 931 |
+
ATOM 931 CD GLN A1613 34.022 -5.544 -39.132 1.00 86.63 C
|
| 932 |
+
ATOM 932 NE2 GLN A1613 33.569 -5.064 -38.004 1.00 86.63 N
|
| 933 |
+
ATOM 933 OE1 GLN A1613 35.050 -6.214 -39.118 1.00 86.63 O
|
| 934 |
+
ATOM 934 N LEU A1614 30.058 -7.296 -41.219 1.00 88.56 N
|
| 935 |
+
ATOM 935 CA LEU A1614 28.646 -7.113 -40.848 1.00 88.56 C
|
| 936 |
+
ATOM 936 C LEU A1614 28.084 -8.287 -40.027 1.00 88.56 C
|
| 937 |
+
ATOM 937 CB LEU A1614 27.810 -6.898 -42.121 1.00 88.56 C
|
| 938 |
+
ATOM 938 O LEU A1614 27.390 -8.059 -39.045 1.00 88.56 O
|
| 939 |
+
ATOM 939 CG LEU A1614 28.018 -5.527 -42.791 1.00 88.56 C
|
| 940 |
+
ATOM 940 CD1 LEU A1614 27.392 -5.546 -44.187 1.00 88.56 C
|
| 941 |
+
ATOM 941 CD2 LEU A1614 27.361 -4.395 -42.005 1.00 88.56 C
|
| 942 |
+
ATOM 942 N GLU A1615 28.408 -9.537 -40.373 1.00 90.39 N
|
| 943 |
+
ATOM 943 CA GLU A1615 28.047 -10.719 -39.569 1.00 90.39 C
|
| 944 |
+
ATOM 944 C GLU A1615 28.584 -10.614 -38.142 1.00 90.39 C
|
| 945 |
+
ATOM 945 CB GLU A1615 28.649 -11.987 -40.194 1.00 90.39 C
|
| 946 |
+
ATOM 946 O GLU A1615 27.866 -10.881 -37.179 1.00 90.39 O
|
| 947 |
+
ATOM 947 CG GLU A1615 27.866 -12.474 -41.411 1.00 90.39 C
|
| 948 |
+
ATOM 948 CD GLU A1615 28.548 -13.659 -42.104 1.00 90.39 C
|
| 949 |
+
ATOM 949 OE1 GLU A1615 27.833 -14.480 -42.720 1.00 90.39 O
|
| 950 |
+
ATOM 950 OE2 GLU A1615 29.793 -13.753 -42.144 1.00 90.39 O
|
| 951 |
+
ATOM 951 N LYS A1616 29.847 -10.203 -37.998 1.00 87.81 N
|
| 952 |
+
ATOM 952 CA LYS A1616 30.498 -10.052 -36.699 1.00 87.81 C
|
| 953 |
+
ATOM 953 C LYS A1616 29.868 -8.932 -35.874 1.00 87.81 C
|
| 954 |
+
ATOM 954 CB LYS A1616 31.987 -9.815 -36.944 1.00 87.81 C
|
| 955 |
+
ATOM 955 O LYS A1616 29.687 -9.114 -34.670 1.00 87.81 O
|
| 956 |
+
ATOM 956 CG LYS A1616 32.761 -9.737 -35.629 1.00 87.81 C
|
| 957 |
+
ATOM 957 CD LYS A1616 34.203 -9.358 -35.935 1.00 87.81 C
|
| 958 |
+
ATOM 958 CE LYS A1616 34.916 -9.129 -34.609 1.00 87.81 C
|
| 959 |
+
ATOM 959 NZ LYS A1616 36.230 -8.505 -34.857 1.00 87.81 N
|
| 960 |
+
ATOM 960 N ASP A1617 29.525 -7.808 -36.491 1.00 86.60 N
|
| 961 |
+
ATOM 961 CA ASP A1617 28.926 -6.670 -35.792 1.00 86.60 C
|
| 962 |
+
ATOM 962 C ASP A1617 27.465 -6.971 -35.399 1.00 86.60 C
|
| 963 |
+
ATOM 963 CB ASP A1617 29.114 -5.393 -36.630 1.00 86.60 C
|
| 964 |
+
ATOM 964 O ASP A1617 27.088 -6.743 -34.250 1.00 86.60 O
|
| 965 |
+
ATOM 965 CG ASP A1617 30.598 -5.019 -36.822 1.00 86.60 C
|
| 966 |
+
ATOM 966 OD1 ASP A1617 31.448 -5.366 -35.960 1.00 86.60 O
|
| 967 |
+
ATOM 967 OD2 ASP A1617 30.937 -4.398 -37.856 1.00 86.60 O
|
| 968 |
+
ATOM 968 N ILE A1618 26.690 -7.648 -36.262 1.00 87.26 N
|
| 969 |
+
ATOM 969 CA ILE A1618 25.356 -8.197 -35.936 1.00 87.26 C
|
| 970 |
+
ATOM 970 C ILE A1618 25.437 -9.211 -34.783 1.00 87.26 C
|
| 971 |
+
ATOM 971 CB ILE A1618 24.706 -8.829 -37.195 1.00 87.26 C
|
| 972 |
+
ATOM 972 O ILE A1618 24.618 -9.163 -33.862 1.00 87.26 O
|
| 973 |
+
ATOM 973 CG1 ILE A1618 24.344 -7.738 -38.229 1.00 87.26 C
|
| 974 |
+
ATOM 974 CG2 ILE A1618 23.438 -9.643 -36.856 1.00 87.26 C
|
| 975 |
+
ATOM 975 CD1 ILE A1618 24.060 -8.299 -39.630 1.00 87.26 C
|
| 976 |
+
ATOM 976 N CYS A1619 26.417 -10.120 -34.794 1.00 86.90 N
|
| 977 |
+
ATOM 977 CA CYS A1619 26.655 -11.040 -33.680 1.00 86.90 C
|
| 978 |
+
ATOM 978 C CYS A1619 27.024 -10.291 -32.395 1.00 86.90 C
|
| 979 |
+
ATOM 979 CB CYS A1619 27.731 -12.064 -34.067 1.00 86.90 C
|
| 980 |
+
ATOM 980 O CYS A1619 26.433 -10.571 -31.359 1.00 86.90 O
|
| 981 |
+
ATOM 981 SG CYS A1619 26.985 -13.381 -35.072 1.00 86.90 S
|
| 982 |
+
ATOM 982 N THR A1620 27.911 -9.295 -32.463 1.00 84.31 N
|
| 983 |
+
ATOM 983 CA THR A1620 28.336 -8.500 -31.297 1.00 84.31 C
|
| 984 |
+
ATOM 984 C THR A1620 27.171 -7.699 -30.707 1.00 84.31 C
|
| 985 |
+
ATOM 985 CB THR A1620 29.489 -7.548 -31.665 1.00 84.31 C
|
| 986 |
+
ATOM 986 O THR A1620 27.006 -7.656 -29.491 1.00 84.31 O
|
| 987 |
+
ATOM 987 CG2 THR A1620 30.078 -6.845 -30.442 1.00 84.31 C
|
| 988 |
+
ATOM 988 OG1 THR A1620 30.563 -8.244 -32.266 1.00 84.31 O
|
| 989 |
+
ATOM 989 N ALA A1621 26.312 -7.110 -31.544 1.00 80.27 N
|
| 990 |
+
ATOM 990 CA ALA A1621 25.105 -6.409 -31.104 1.00 80.27 C
|
| 991 |
+
ATOM 991 C ALA A1621 24.085 -7.359 -30.451 1.00 80.27 C
|
| 992 |
+
ATOM 992 CB ALA A1621 24.503 -5.690 -32.317 1.00 80.27 C
|
| 993 |
+
ATOM 993 O ALA A1621 23.414 -6.987 -29.488 1.00 80.27 O
|
| 994 |
+
ATOM 994 N LYS A1622 23.985 -8.603 -30.936 1.00 80.14 N
|
| 995 |
+
ATOM 995 CA LYS A1622 23.133 -9.641 -30.338 1.00 80.14 C
|
| 996 |
+
ATOM 996 C LYS A1622 23.693 -10.208 -29.039 1.00 80.14 C
|
| 997 |
+
ATOM 997 CB LYS A1622 22.899 -10.764 -31.347 1.00 80.14 C
|
| 998 |
+
ATOM 998 O LYS A1622 22.912 -10.442 -28.125 1.00 80.14 O
|
| 999 |
+
ATOM 999 CG LYS A1622 21.876 -10.338 -32.404 1.00 80.14 C
|
| 1000 |
+
ATOM 1000 CD LYS A1622 21.604 -11.497 -33.372 1.00 80.14 C
|
| 1001 |
+
ATOM 1001 CE LYS A1622 20.095 -11.731 -33.483 1.00 80.14 C
|
| 1002 |
+
ATOM 1002 NZ LYS A1622 19.793 -13.177 -33.533 1.00 80.14 N
|
| 1003 |
+
ATOM 1003 N GLU A1623 25.003 -10.414 -28.949 1.00 78.41 N
|
| 1004 |
+
ATOM 1004 CA GLU A1623 25.676 -10.792 -27.704 1.00 78.41 C
|
| 1005 |
+
ATOM 1005 C GLU A1623 25.512 -9.682 -26.663 1.00 78.41 C
|
| 1006 |
+
ATOM 1006 CB GLU A1623 27.155 -11.136 -27.963 1.00 78.41 C
|
| 1007 |
+
ATOM 1007 O GLU A1623 25.086 -9.977 -25.557 1.00 78.41 O
|
| 1008 |
+
ATOM 1008 CG GLU A1623 27.294 -12.514 -28.640 1.00 78.41 C
|
| 1009 |
+
ATOM 1009 CD GLU A1623 28.739 -12.923 -28.983 1.00 78.41 C
|
| 1010 |
+
ATOM 1010 OE1 GLU A1623 28.926 -14.120 -29.309 1.00 78.41 O
|
| 1011 |
+
ATOM 1011 OE2 GLU A1623 29.646 -12.058 -28.971 1.00 78.41 O
|
| 1012 |
+
ATOM 1012 N ALA A1624 25.690 -8.408 -27.031 1.00 78.40 N
|
| 1013 |
+
ATOM 1013 CA ALA A1624 25.439 -7.278 -26.134 1.00 78.40 C
|
| 1014 |
+
ATOM 1014 C ALA A1624 23.972 -7.188 -25.668 1.00 78.40 C
|
| 1015 |
+
ATOM 1015 CB ALA A1624 25.884 -5.991 -26.838 1.00 78.40 C
|
| 1016 |
+
ATOM 1016 O ALA A1624 23.724 -6.973 -24.486 1.00 78.40 O
|
| 1017 |
+
ATOM 1017 N ALA A1625 22.995 -7.396 -26.558 1.00 76.41 N
|
| 1018 |
+
ATOM 1018 CA ALA A1625 21.575 -7.394 -26.189 1.00 76.41 C
|
| 1019 |
+
ATOM 1019 C ALA A1625 21.175 -8.602 -25.315 1.00 76.41 C
|
| 1020 |
+
ATOM 1020 CB ALA A1625 20.742 -7.334 -27.475 1.00 76.41 C
|
| 1021 |
+
ATOM 1021 O ALA A1625 20.260 -8.494 -24.500 1.00 76.41 O
|
| 1022 |
+
ATOM 1022 N LEU A1626 21.853 -9.746 -25.469 1.00 74.31 N
|
| 1023 |
+
ATOM 1023 CA LEU A1626 21.690 -10.905 -24.589 1.00 74.31 C
|
| 1024 |
+
ATOM 1024 C LEU A1626 22.408 -10.707 -23.249 1.00 74.31 C
|
| 1025 |
+
ATOM 1025 CB LEU A1626 22.162 -12.185 -25.303 1.00 74.31 C
|
| 1026 |
+
ATOM 1026 O LEU A1626 21.822 -11.031 -22.227 1.00 74.31 O
|
| 1027 |
+
ATOM 1027 CG LEU A1626 21.186 -12.694 -26.380 1.00 74.31 C
|
| 1028 |
+
ATOM 1028 CD1 LEU A1626 21.859 -13.778 -27.226 1.00 74.31 C
|
| 1029 |
+
ATOM 1029 CD2 LEU A1626 19.917 -13.306 -25.776 1.00 74.31 C
|
| 1030 |
+
ATOM 1030 N GLU A1627 23.611 -10.126 -23.219 1.00 74.35 N
|
| 1031 |
+
ATOM 1031 CA GLU A1627 24.295 -9.747 -21.976 1.00 74.35 C
|
| 1032 |
+
ATOM 1032 C GLU A1627 23.507 -8.688 -21.194 1.00 74.35 C
|
| 1033 |
+
ATOM 1033 CB GLU A1627 25.719 -9.208 -22.237 1.00 74.35 C
|
| 1034 |
+
ATOM 1034 O GLU A1627 23.472 -8.757 -19.970 1.00 74.35 O
|
| 1035 |
+
ATOM 1035 CG GLU A1627 26.778 -10.290 -22.518 1.00 74.35 C
|
| 1036 |
+
ATOM 1036 CD GLU A1627 28.231 -9.763 -22.445 1.00 74.35 C
|
| 1037 |
+
ATOM 1037 OE1 GLU A1627 29.155 -10.607 -22.354 1.00 74.35 O
|
| 1038 |
+
ATOM 1038 OE2 GLU A1627 28.445 -8.526 -22.430 1.00 74.35 O
|
| 1039 |
+
ATOM 1039 N GLU A1628 22.851 -7.732 -21.862 1.00 71.48 N
|
| 1040 |
+
ATOM 1040 CA GLU A1628 22.016 -6.719 -21.203 1.00 71.48 C
|
| 1041 |
+
ATOM 1041 C GLU A1628 20.746 -7.355 -20.606 1.00 71.48 C
|
| 1042 |
+
ATOM 1042 CB GLU A1628 21.766 -5.536 -22.168 1.00 71.48 C
|
| 1043 |
+
ATOM 1043 O GLU A1628 20.446 -7.112 -19.438 1.00 71.48 O
|
| 1044 |
+
ATOM 1044 CG GLU A1628 21.240 -4.264 -21.473 1.00 71.48 C
|
| 1045 |
+
ATOM 1045 CD GLU A1628 21.500 -2.970 -22.280 1.00 71.48 C
|
| 1046 |
+
ATOM 1046 OE1 GLU A1628 21.968 -1.977 -21.665 1.00 71.48 O
|
| 1047 |
+
ATOM 1047 OE2 GLU A1628 21.240 -2.953 -23.506 1.00 71.48 O
|
| 1048 |
+
ATOM 1048 N ALA A1629 20.083 -8.272 -21.326 1.00 67.28 N
|
| 1049 |
+
ATOM 1049 CA ALA A1629 18.955 -9.051 -20.800 1.00 67.28 C
|
| 1050 |
+
ATOM 1050 C ALA A1629 19.362 -10.078 -19.717 1.00 67.28 C
|
| 1051 |
+
ATOM 1051 CB ALA A1629 18.246 -9.727 -21.980 1.00 67.28 C
|
| 1052 |
+
ATOM 1052 O ALA A1629 18.611 -10.320 -18.773 1.00 67.28 O
|
| 1053 |
+
TER 1053 ALA A1629
|
| 1054 |
+
END
|
6bqd/6bqd_af2_holo_ligand.sdf
ADDED
|
@@ -0,0 +1,58 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
|
| 2 |
+
RDKit 3D
|
| 3 |
+
|
| 4 |
+
25 27 0 0 0 0 0 0 0 0999 V2000
|
| 5 |
+
9.5726 -22.5506 -56.4095 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 6 |
+
10.2323 -22.9098 -57.7143 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 7 |
+
10.1868 -24.1376 -58.1352 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 8 |
+
10.8387 -24.4409 -59.4307 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 9 |
+
9.9056 -25.0427 -60.3924 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 10 |
+
8.9468 -24.2763 -61.0031 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 11 |
+
8.1039 -24.8087 -61.9397 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 12 |
+
7.0453 -23.9706 -62.5888 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 13 |
+
6.6955 -24.1117 -63.9453 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 14 |
+
5.6887 -23.3226 -64.5038 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 15 |
+
5.0071 -22.4088 -63.6955 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 16 |
+
5.3523 -22.2503 -62.3430 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 17 |
+
4.6459 -21.2974 -61.4452 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 18 |
+
3.9392 -21.7233 -60.5368 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 19 |
+
4.7346 -19.9720 -61.5714 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 20 |
+
3.9994 -19.1489 -60.5887 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 21 |
+
5.5761 -19.3706 -62.6091 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 22 |
+
6.3619 -23.0452 -61.7908 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 23 |
+
8.2439 -26.2415 -62.2795 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 24 |
+
7.5868 -27.1470 -63.1596 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 25 |
+
8.1716 -28.3707 -63.0439 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 26 |
+
9.1739 -28.2840 -62.1224 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 27 |
+
9.2366 -26.9939 -61.6262 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 28 |
+
10.0631 -26.3501 -60.6857 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 29 |
+
10.9225 -26.9972 -60.1165 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 30 |
+
4 3 1 0
|
| 31 |
+
5 4 1 0
|
| 32 |
+
24 23 1 0
|
| 33 |
+
5 24 1 0
|
| 34 |
+
24 25 2 0
|
| 35 |
+
6 7 2 0
|
| 36 |
+
6 5 1 0
|
| 37 |
+
7 19 1 0
|
| 38 |
+
7 8 1 0
|
| 39 |
+
19 20 1 0
|
| 40 |
+
19 23 2 0
|
| 41 |
+
20 21 2 0
|
| 42 |
+
21 22 1 0
|
| 43 |
+
23 22 1 0
|
| 44 |
+
3 2 2 3
|
| 45 |
+
2 1 1 0
|
| 46 |
+
8 9 2 0
|
| 47 |
+
8 18 1 0
|
| 48 |
+
9 10 1 0
|
| 49 |
+
10 11 2 0
|
| 50 |
+
11 12 1 0
|
| 51 |
+
12 18 2 0
|
| 52 |
+
12 13 1 0
|
| 53 |
+
13 14 2 0
|
| 54 |
+
13 15 1 0
|
| 55 |
+
15 16 1 0
|
| 56 |
+
15 17 1 0
|
| 57 |
+
M END
|
| 58 |
+
$$$$
|
6bqd/6bqd_af2_holo_protein.pdb
ADDED
|
The diff for this file is too large to render.
See raw diff
|
|
|
6c85/6c85_af2_apo_protein.pdb
ADDED
|
The diff for this file is too large to render.
See raw diff
|
|
|
6c85/6c85_af2_holo_ligand.sdf
ADDED
|
@@ -0,0 +1,22 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
|
| 2 |
+
RDKit 3D
|
| 3 |
+
|
| 4 |
+
8 8 0 0 0 0 0 0 0 0999 V2000
|
| 5 |
+
-8.7264 -2.5333 -3.8118 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 6 |
+
-8.1539 -3.3586 -3.1872 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 7 |
+
-6.7231 -3.1004 -2.7147 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 8 |
+
-5.9322 -4.1379 -1.9297 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 9 |
+
-6.6108 -5.4778 -1.5810 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 10 |
+
-6.0535 -6.3403 -0.9380 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 11 |
+
-8.0483 -5.7256 -2.0586 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 12 |
+
-8.8221 -4.6838 -2.8606 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 13 |
+
1 2 2 0
|
| 14 |
+
2 3 1 0
|
| 15 |
+
2 8 1 0
|
| 16 |
+
3 4 1 0
|
| 17 |
+
8 7 1 0
|
| 18 |
+
7 5 1 0
|
| 19 |
+
5 6 2 0
|
| 20 |
+
5 4 1 0
|
| 21 |
+
M END
|
| 22 |
+
$$$$
|
6c85/6c85_af2_holo_protein.pdb
ADDED
|
The diff for this file is too large to render.
See raw diff
|
|
|
6cf7/6cf7_af2_apo_protein.pdb
ADDED
|
The diff for this file is too large to render.
See raw diff
|
|
|
6cf7/6cf7_af2_holo_ligand.sdf
ADDED
|
@@ -0,0 +1,92 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
|
| 2 |
+
RDKit 3D
|
| 3 |
+
|
| 4 |
+
40 45 0 0 0 0 0 0 0 0999 V2000
|
| 5 |
+
-15.5657 -7.8754 10.5161 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 6 |
+
-16.7473 -7.9263 11.4817 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 7 |
+
-16.6420 -7.4514 12.6115 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 8 |
+
-17.8365 -8.5194 10.9547 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 9 |
+
-18.9992 -8.6733 11.6068 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 10 |
+
-20.0789 -9.0664 10.8352 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 11 |
+
-21.3106 -9.2494 11.4358 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 12 |
+
-21.4483 -9.0507 12.7386 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 13 |
+
-22.5173 -9.1657 13.5025 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 14 |
+
-22.1745 -8.8771 14.7003 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 15 |
+
-23.0388 -8.9017 15.7107 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 16 |
+
-24.3827 -9.0462 15.3948 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 17 |
+
-25.3255 -9.0807 16.4119 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 18 |
+
-24.9147 -8.9670 17.7381 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 19 |
+
-23.6155 -8.8511 18.0614 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 20 |
+
-23.2696 -8.7223 19.4122 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 21 |
+
-22.7191 -7.6798 19.7568 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 22 |
+
-23.6218 -9.6616 20.3223 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 23 |
+
-23.2937 -9.4689 21.7505 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 24 |
+
-24.4751 -9.8774 22.6360 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 25 |
+
-24.9339 -11.2522 22.3672 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 26 |
+
-26.0632 -11.5996 23.2634 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 27 |
+
-25.7967 -11.3287 24.6043 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 28 |
+
-26.5948 -10.4072 25.2699 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 29 |
+
-26.3491 -10.1165 26.6035 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 30 |
+
-25.3120 -10.7522 27.2764 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 31 |
+
-24.5153 -11.6816 26.6170 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 32 |
+
-24.7609 -11.9738 25.2794 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 33 |
+
-26.4868 -13.0614 23.1443 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 34 |
+
-27.6732 -13.5441 23.4423 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 35 |
+
-27.6093 -14.6335 23.2360 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 36 |
+
-26.4580 -14.9683 22.8142 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 37 |
+
-26.1314 -16.3563 22.4723 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 38 |
+
-25.7490 -14.0697 22.7437 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 39 |
+
-25.3902 -11.3017 20.9678 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 40 |
+
-24.2972 -10.9319 19.9621 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 41 |
+
-22.6522 -8.7964 17.0466 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 42 |
+
-20.8833 -8.5644 14.7483 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 43 |
+
-20.4195 -8.6737 13.5019 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 44 |
+
-19.2080 -8.4852 12.9726 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 45 |
+
5 6 2 0
|
| 46 |
+
7 6 1 0
|
| 47 |
+
40 5 1 0
|
| 48 |
+
5 4 1 0
|
| 49 |
+
39 40 2 0
|
| 50 |
+
39 8 1 0
|
| 51 |
+
38 39 1 0
|
| 52 |
+
8 7 2 0
|
| 53 |
+
9 8 1 0
|
| 54 |
+
11 12 2 0
|
| 55 |
+
12 13 1 0
|
| 56 |
+
37 15 2 0
|
| 57 |
+
11 37 1 0
|
| 58 |
+
15 14 1 0
|
| 59 |
+
15 16 1 0
|
| 60 |
+
2 1 1 0
|
| 61 |
+
2 3 2 0
|
| 62 |
+
4 2 1 0
|
| 63 |
+
10 9 1 0
|
| 64 |
+
10 38 2 0
|
| 65 |
+
10 11 1 0
|
| 66 |
+
13 14 2 0
|
| 67 |
+
16 17 2 0
|
| 68 |
+
16 18 1 0
|
| 69 |
+
18 19 1 0
|
| 70 |
+
18 36 1 0
|
| 71 |
+
19 20 1 0
|
| 72 |
+
20 21 1 0
|
| 73 |
+
36 35 1 0
|
| 74 |
+
35 21 1 0
|
| 75 |
+
21 22 1 0
|
| 76 |
+
22 29 1 0
|
| 77 |
+
22 23 1 0
|
| 78 |
+
29 34 2 0
|
| 79 |
+
29 30 1 0
|
| 80 |
+
34 32 1 0
|
| 81 |
+
30 31 2 0
|
| 82 |
+
31 32 1 0
|
| 83 |
+
32 33 1 0
|
| 84 |
+
23 24 2 0
|
| 85 |
+
23 28 1 0
|
| 86 |
+
24 25 1 0
|
| 87 |
+
25 26 2 0
|
| 88 |
+
26 27 1 0
|
| 89 |
+
27 28 2 0
|
| 90 |
+
M CHG 1 21 1
|
| 91 |
+
M END
|
| 92 |
+
$$$$
|
6cf7/6cf7_af2_holo_protein.pdb
ADDED
|
The diff for this file is too large to render.
See raw diff
|
|
|
6cjj/6cjj_af2_apo_protein.pdb
ADDED
|
The diff for this file is too large to render.
See raw diff
|
|
|
6cjj/6cjj_af2_holo_ligand.sdf
ADDED
|
@@ -0,0 +1,62 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
|
| 2 |
+
RDKit 3D
|
| 3 |
+
|
| 4 |
+
27 29 0 0 0 0 0 0 0 0999 V2000
|
| 5 |
+
19.4631 8.8227 -31.2224 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 6 |
+
18.9101 8.9900 -32.4322 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 7 |
+
19.2347 8.2166 -33.4870 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 8 |
+
18.6552 8.3642 -34.6974 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 9 |
+
17.7243 9.3095 -34.9535 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 10 |
+
17.3342 10.1545 -33.9615 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 11 |
+
17.9161 10.0474 -32.6226 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 12 |
+
17.3501 11.0012 -31.8421 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 13 |
+
16.4626 11.6663 -32.6249 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 14 |
+
16.4613 11.1465 -33.8810 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 15 |
+
15.6619 11.6331 -35.0315 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 16 |
+
15.0395 12.8588 -34.6366 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 17 |
+
13.6148 12.7360 -34.7696 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 18 |
+
12.9373 13.6143 -33.7243 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 19 |
+
12.9876 12.9670 -32.4594 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 20 |
+
11.9021 13.3898 -31.3529 P 0 0 0 0 0 0 0 0 0 0 0 0
|
| 21 |
+
12.2160 12.7148 -30.0462 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 22 |
+
11.8286 14.8987 -31.3731 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 23 |
+
10.5269 12.8262 -31.9945 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 24 |
+
10.1027 11.2705 -32.1640 P 0 0 0 0 0 0 0 0 0 0 0 0
|
| 25 |
+
10.2273 11.0789 -33.6521 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 26 |
+
8.6797 11.2357 -31.6152 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 27 |
+
11.0788 10.4107 -31.3781 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 28 |
+
13.3505 11.2337 -34.6761 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 29 |
+
12.1140 10.7912 -35.2624 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 30 |
+
14.5544 10.6647 -35.4068 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 31 |
+
14.3531 10.6950 -36.8372 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 32 |
+
20 21 2 0
|
| 33 |
+
20 22 1 0
|
| 34 |
+
20 23 1 0
|
| 35 |
+
19 20 1 0
|
| 36 |
+
16 17 2 0
|
| 37 |
+
16 18 1 0
|
| 38 |
+
16 19 1 0
|
| 39 |
+
16 15 1 0
|
| 40 |
+
15 14 1 0
|
| 41 |
+
14 13 1 0
|
| 42 |
+
13 12 1 0
|
| 43 |
+
13 24 1 0
|
| 44 |
+
12 11 1 0
|
| 45 |
+
24 25 1 0
|
| 46 |
+
24 26 1 0
|
| 47 |
+
26 27 1 0
|
| 48 |
+
26 11 1 0
|
| 49 |
+
11 10 1 0
|
| 50 |
+
10 9 1 0
|
| 51 |
+
10 6 1 0
|
| 52 |
+
9 8 2 0
|
| 53 |
+
8 7 1 0
|
| 54 |
+
7 2 2 0
|
| 55 |
+
7 6 1 0
|
| 56 |
+
2 1 1 0
|
| 57 |
+
2 3 1 0
|
| 58 |
+
3 4 2 0
|
| 59 |
+
4 5 1 0
|
| 60 |
+
5 6 2 0
|
| 61 |
+
M END
|
| 62 |
+
$$$$
|
6cjj/6cjj_af2_holo_protein.pdb
ADDED
|
The diff for this file is too large to render.
See raw diff
|
|
|
6cjp/6cjp_af2_apo_protein.pdb
ADDED
|
The diff for this file is too large to render.
See raw diff
|
|
|
6cjp/6cjp_af2_holo_ligand.sdf
ADDED
|
@@ -0,0 +1,77 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
|
| 2 |
+
RDKit 3D
|
| 3 |
+
|
| 4 |
+
34 37 0 0 0 0 0 0 0 0999 V2000
|
| 5 |
+
16.3155 14.8371 -26.2117 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 6 |
+
15.1204 15.1044 -26.9110 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 7 |
+
15.1056 15.1579 -28.3231 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 8 |
+
13.8528 15.2438 -28.9213 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 9 |
+
13.7463 15.3154 -30.3032 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 10 |
+
14.9002 15.2925 -31.0783 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 11 |
+
14.7885 15.3592 -32.5913 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 12 |
+
15.5108 14.2360 -33.0744 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 13 |
+
14.6153 13.1979 -33.1728 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 14 |
+
15.0378 11.9540 -33.3745 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 15 |
+
13.9695 10.8603 -33.5028 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 16 |
+
13.9558 9.7235 -32.7472 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 17 |
+
12.7926 8.7454 -32.9385 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 18 |
+
12.8278 7.5850 -33.6420 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 19 |
+
14.2128 7.0808 -34.4957 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 20 |
+
14.7329 5.7080 -34.8655 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 21 |
+
14.9199 6.7906 -35.8749 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 22 |
+
16.3934 7.0663 -36.1149 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 23 |
+
16.7241 8.5342 -36.1486 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 24 |
+
15.7204 9.2618 -37.0235 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 25 |
+
16.6514 8.9936 -34.8336 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 26 |
+
17.8774 9.0000 -34.1233 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 27 |
+
18.8797 8.4751 -34.5779 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 28 |
+
17.9373 9.6578 -32.7421 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 29 |
+
18.6417 8.9669 -31.7621 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 30 |
+
19.2508 7.7377 -32.0891 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 31 |
+
18.7498 9.4833 -30.4737 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 32 |
+
18.1467 10.7024 -30.1683 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 33 |
+
18.2628 11.2130 -28.8582 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 34 |
+
17.4309 11.4064 -31.1499 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 35 |
+
17.3065 10.8856 -32.4457 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 36 |
+
16.5370 11.6765 -33.5419 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 37 |
+
16.1581 15.1989 -30.4893 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 38 |
+
16.2609 15.1350 -29.1088 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 39 |
+
32 31 1 0
|
| 40 |
+
10 32 1 0
|
| 41 |
+
11 12 2 0
|
| 42 |
+
12 13 1 0
|
| 43 |
+
13 14 2 0
|
| 44 |
+
14 15 1 0
|
| 45 |
+
15 17 1 0
|
| 46 |
+
16 17 1 0
|
| 47 |
+
17 18 1 0
|
| 48 |
+
8 7 1 0
|
| 49 |
+
7 6 1 0
|
| 50 |
+
6 5 2 0
|
| 51 |
+
5 4 1 0
|
| 52 |
+
4 3 2 0
|
| 53 |
+
3 2 1 0
|
| 54 |
+
3 34 1 0
|
| 55 |
+
2 1 1 0
|
| 56 |
+
25 26 1 0
|
| 57 |
+
24 25 1 0
|
| 58 |
+
25 27 2 0
|
| 59 |
+
24 22 1 0
|
| 60 |
+
31 24 2 0
|
| 61 |
+
22 21 1 0
|
| 62 |
+
22 23 2 0
|
| 63 |
+
21 19 1 0
|
| 64 |
+
19 20 1 0
|
| 65 |
+
19 18 1 0
|
| 66 |
+
31 30 1 0
|
| 67 |
+
10 11 1 0
|
| 68 |
+
9 10 2 0
|
| 69 |
+
15 16 1 0
|
| 70 |
+
9 8 1 0
|
| 71 |
+
6 33 1 0
|
| 72 |
+
34 33 2 0
|
| 73 |
+
30 28 2 0
|
| 74 |
+
28 29 1 0
|
| 75 |
+
28 27 1 0
|
| 76 |
+
M END
|
| 77 |
+
$$$$
|
6cjp/6cjp_af2_holo_protein.pdb
ADDED
|
The diff for this file is too large to render.
See raw diff
|
|
|
6cjr/6cjr_af2_apo_protein.pdb
ADDED
|
The diff for this file is too large to render.
See raw diff
|
|
|
6cjr/6cjr_af2_holo_ligand.sdf
ADDED
|
@@ -0,0 +1,75 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
|
| 2 |
+
RDKit 3D
|
| 3 |
+
|
| 4 |
+
33 36 0 0 0 0 0 0 0 0999 V2000
|
| 5 |
+
19.3008 17.2193 -34.5174 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 6 |
+
17.9068 16.7393 -34.8106 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 7 |
+
17.7235 16.2163 -36.2259 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 8 |
+
16.9624 17.8891 -34.6005 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 9 |
+
15.5393 17.4334 -34.5487 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 10 |
+
14.6759 18.1781 -34.9086 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 11 |
+
15.1653 15.9830 -33.9951 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 12 |
+
13.9620 15.3179 -33.7287 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 13 |
+
12.5077 15.8188 -33.9701 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 14 |
+
11.6914 14.7410 -33.8001 F 0 0 0 0 0 0 0 0 0 0 0 0
|
| 15 |
+
12.1061 16.8791 -33.1981 F 0 0 0 0 0 0 0 0 0 0 0 0
|
| 16 |
+
12.3920 16.1399 -35.2851 F 0 0 0 0 0 0 0 0 0 0 0 0
|
| 17 |
+
14.2622 14.0632 -33.2471 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 18 |
+
15.6700 13.9268 -33.1372 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 19 |
+
16.3912 12.8132 -32.7639 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 20 |
+
17.4474 12.8893 -31.8423 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 21 |
+
18.1874 11.7354 -31.5795 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 22 |
+
17.8474 10.5783 -32.2540 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 23 |
+
18.6745 9.3352 -31.9382 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 24 |
+
19.3145 9.2803 -30.6410 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 25 |
+
18.7797 8.4632 -32.7656 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 26 |
+
16.8247 10.4475 -33.1650 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 27 |
+
16.6159 9.1080 -33.7693 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 28 |
+
15.6551 8.8536 -34.8518 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 29 |
+
16.2402 9.3220 -36.1848 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 30 |
+
15.2938 9.0847 -37.3766 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 31 |
+
14.7203 7.6584 -37.4394 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 32 |
+
13.5595 7.7156 -38.2635 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 33 |
+
14.3760 7.0344 -36.0629 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 34 |
+
15.3695 7.3481 -34.9245 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 35 |
+
16.0907 11.5979 -33.4330 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 36 |
+
16.2118 15.0942 -33.6225 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 37 |
+
17.6972 15.6258 -33.8408 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 38 |
+
23 24 1 0
|
| 39 |
+
24 30 1 0
|
| 40 |
+
24 25 1 0
|
| 41 |
+
22 18 1 0
|
| 42 |
+
22 23 1 0
|
| 43 |
+
31 22 2 0
|
| 44 |
+
17 18 2 0
|
| 45 |
+
18 19 1 0
|
| 46 |
+
19 20 1 0
|
| 47 |
+
15 16 2 0
|
| 48 |
+
16 17 1 0
|
| 49 |
+
19 21 2 0
|
| 50 |
+
14 15 1 0
|
| 51 |
+
14 13 1 0
|
| 52 |
+
32 14 1 0
|
| 53 |
+
15 31 1 0
|
| 54 |
+
8 13 2 0
|
| 55 |
+
26 27 1 0
|
| 56 |
+
25 26 1 0
|
| 57 |
+
29 27 1 0
|
| 58 |
+
27 28 1 0
|
| 59 |
+
30 29 1 0
|
| 60 |
+
7 8 1 0
|
| 61 |
+
8 9 1 0
|
| 62 |
+
7 32 2 0
|
| 63 |
+
5 7 1 0
|
| 64 |
+
32 33 1 0
|
| 65 |
+
4 2 1 0
|
| 66 |
+
4 5 1 0
|
| 67 |
+
2 1 1 0
|
| 68 |
+
9 10 1 0
|
| 69 |
+
5 6 2 0
|
| 70 |
+
9 11 1 0
|
| 71 |
+
9 12 1 0
|
| 72 |
+
33 2 1 0
|
| 73 |
+
2 3 1 0
|
| 74 |
+
M END
|
| 75 |
+
$$$$
|
6cjr/6cjr_af2_holo_protein.pdb
ADDED
|
The diff for this file is too large to render.
See raw diff
|
|
|
6cjs/6cjs_af2_apo_protein.pdb
ADDED
|
The diff for this file is too large to render.
See raw diff
|
|
|
6cjs/6cjs_af2_holo_ligand.sdf
ADDED
|
@@ -0,0 +1,78 @@
|
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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 |
+
34 37 0 0 0 0 0 0 0 0999 V2000
|
| 5 |
+
15.8737 7.8960 -40.7451 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 6 |
+
15.4061 7.4063 -39.3734 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 7 |
+
16.3165 7.8888 -38.3596 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 8 |
+
15.8550 7.9417 -36.9965 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 9 |
+
14.7414 7.6004 -36.7507 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 10 |
+
16.8038 8.4568 -35.9182 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 11 |
+
18.1527 8.2641 -35.8743 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 12 |
+
18.6595 8.9004 -34.7073 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 13 |
+
17.6025 9.4478 -34.0797 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 14 |
+
17.6542 10.1659 -32.8887 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 15 |
+
17.1317 11.4610 -32.8343 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 16 |
+
17.2009 12.1654 -31.6446 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 17 |
+
16.6584 13.5840 -31.5277 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 18 |
+
17.3170 14.4800 -32.6174 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 19 |
+
15.1547 13.6484 -31.7421 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 20 |
+
17.7748 11.5598 -30.5361 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 21 |
+
17.7930 12.2300 -29.3381 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 22 |
+
18.2955 10.2852 -30.5855 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 23 |
+
18.2475 9.5839 -31.7753 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 24 |
+
18.7631 8.2810 -31.8911 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 25 |
+
16.4338 9.1808 -34.8102 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 26 |
+
15.1176 9.5277 -34.4552 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 27 |
+
14.6201 9.1026 -33.2324 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 28 |
+
13.3189 9.4328 -32.8551 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 29 |
+
12.5113 10.1843 -33.6933 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 30 |
+
11.0649 10.5511 -33.2636 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 31 |
+
10.8720 11.9987 -33.1522 N 0 0 0 0 0 0 0 0 0 0 0 0
|
| 32 |
+
11.9148 12.5675 -32.3610 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 33 |
+
11.4749 13.6451 -31.3719 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 34 |
+
10.3870 14.4569 -31.7885 O 0 0 0 0 0 0 0 0 0 0 0 0
|
| 35 |
+
9.3200 13.7676 -32.4248 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 36 |
+
9.5528 12.2585 -32.6337 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 37 |
+
13.0095 10.5950 -34.9186 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 38 |
+
14.2944 10.2659 -35.3118 C 0 0 0 0 0 0 0 0 0 0 0 0
|
| 39 |
+
28 29 1 0
|
| 40 |
+
28 27 1 0
|
| 41 |
+
29 30 1 0
|
| 42 |
+
30 31 1 0
|
| 43 |
+
31 32 1 0
|
| 44 |
+
32 27 1 0
|
| 45 |
+
27 26 1 0
|
| 46 |
+
26 25 1 0
|
| 47 |
+
25 24 1 0
|
| 48 |
+
25 33 2 0
|
| 49 |
+
24 23 2 0
|
| 50 |
+
23 22 1 0
|
| 51 |
+
33 34 1 0
|
| 52 |
+
34 22 2 0
|
| 53 |
+
22 21 1 0
|
| 54 |
+
21 6 1 0
|
| 55 |
+
21 9 2 0
|
| 56 |
+
6 4 1 0
|
| 57 |
+
6 7 2 0
|
| 58 |
+
4 5 2 0
|
| 59 |
+
4 3 1 0
|
| 60 |
+
3 2 1 0
|
| 61 |
+
2 1 1 0
|
| 62 |
+
7 8 1 0
|
| 63 |
+
8 9 1 0
|
| 64 |
+
9 10 1 0
|
| 65 |
+
10 11 2 0
|
| 66 |
+
10 19 1 0
|
| 67 |
+
11 12 1 0
|
| 68 |
+
12 13 1 0
|
| 69 |
+
12 16 2 0
|
| 70 |
+
13 14 1 0
|
| 71 |
+
13 15 1 0
|
| 72 |
+
16 17 1 0
|
| 73 |
+
16 18 1 0
|
| 74 |
+
18 19 2 0
|
| 75 |
+
19 20 1 0
|
| 76 |
+
M CHG 1 27 1
|
| 77 |
+
M END
|
| 78 |
+
$$$$
|
6cjs/6cjs_af2_holo_protein.pdb
ADDED
|
The diff for this file is too large to render.
See raw diff
|
|
|