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linbc20 commited on
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Add batch 60

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  1. 184l/184l_ligand.mol2 +64 -0
  2. 184l/184l_ligand.sdf +54 -0
  3. 184l/184l_protein_esmfold_aligned_tr_fix.pdb +0 -0
  4. 184l/184l_protein_processed_fix.pdb +0 -0
  5. 1af6/1af6_protein_esmfold_aligned_tr_fix.pdb +0 -0
  6. 1af6/1af6_protein_processed_fix.pdb +0 -0
  7. 1aht/1aht_ligand.mol2 +70 -0
  8. 1aht/1aht_ligand.sdf +60 -0
  9. 1aht/1aht_protein_esmfold_aligned_tr_fix.pdb +0 -0
  10. 1aht/1aht_protein_processed_fix.pdb +0 -0
  11. 1auj/1auj_ligand.mol2 +138 -0
  12. 1auj/1auj_ligand.sdf +128 -0
  13. 1auj/1auj_protein_esmfold_aligned_tr_fix.pdb +0 -0
  14. 1auj/1auj_protein_processed_fix.pdb +0 -0
  15. 1bjr/1bjr_ligand.mol2 +247 -0
  16. 1bjr/1bjr_ligand.sdf +237 -0
  17. 1bjr/1bjr_protein_esmfold_aligned_tr_fix.pdb +0 -0
  18. 1bjr/1bjr_protein_processed_fix.pdb +0 -0
  19. 1c8v/1c8v_ligand.mol2 +74 -0
  20. 1c8v/1c8v_ligand.sdf +68 -0
  21. 1c8v/1c8v_protein_esmfold_aligned_tr_fix.pdb +0 -0
  22. 1c8v/1c8v_protein_processed_fix.pdb +0 -0
  23. 1hti/1hti_ligand.mol2 +37 -0
  24. 1hti/1hti_ligand.sdf +33 -0
  25. 1hti/1hti_protein_esmfold_aligned_tr_fix.pdb +0 -0
  26. 1hti/1hti_protein_processed_fix.pdb +0 -0
  27. 1ka7/1ka7_ligand.mol2 +446 -0
  28. 1ka7/1ka7_ligand.sdf +436 -0
  29. 1ka7/1ka7_protein_esmfold_aligned_tr_fix.pdb +847 -0
  30. 1ka7/1ka7_protein_processed_fix.pdb +0 -0
  31. 1lcj/1lcj_ligand.mol2 +403 -0
  32. 1lcj/1lcj_ligand.sdf +401 -0
  33. 1lcj/1lcj_protein_esmfold_aligned_tr_fix.pdb +841 -0
  34. 1lcj/1lcj_protein_processed_fix.pdb +0 -0
  35. 1ms7/1ms7_ligand.mol2 +56 -0
  36. 1ms7/1ms7_ligand.sdf +48 -0
  37. 1ms7/1ms7_protein_esmfold_aligned_tr_fix.pdb +0 -0
  38. 1ms7/1ms7_protein_processed_fix.pdb +0 -0
  39. 1tet/1tet_ligand.mol2 +393 -0
  40. 1tet/1tet_ligand.sdf +383 -0
  41. 1tet/1tet_protein_esmfold_aligned_tr_fix.pdb +0 -0
  42. 1tet/1tet_protein_processed_fix.pdb +0 -0
  43. 1yk7/1yk7_ligand.mol2 +125 -0
  44. 1yk7/1yk7_ligand.sdf +115 -0
  45. 1yk7/1yk7_protein_esmfold_aligned_tr_fix.pdb +0 -0
  46. 1yk7/1yk7_protein_processed_fix.pdb +0 -0
  47. 2c68/2c68_ligand.mol2 +95 -0
  48. 2c68/2c68_ligand.sdf +85 -0
  49. 2c68/2c68_protein_esmfold_aligned_tr_fix.pdb +0 -0
  50. 2c68/2c68_protein_processed_fix.pdb +0 -0
184l/184l_ligand.mol2 ADDED
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184l/184l_ligand.sdf ADDED
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+ $$$$
184l/184l_protein_esmfold_aligned_tr_fix.pdb ADDED
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184l/184l_protein_processed_fix.pdb ADDED
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1af6/1af6_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1af6/1af6_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1aht/1aht_ligand.mol2 ADDED
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1aht/1aht_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1aht/1aht_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1auj/1auj_ligand.mol2 ADDED
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1auj/1auj_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1auj/1auj_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
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+ ### Created by X-TOOL on Mon Sep 10 21:12:46 2018
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+ ###
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1c8v/1c8v_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1c8v/1c8v_protein_processed_fix.pdb ADDED
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1
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19
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22
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+ @<TRIPOS>SUBSTRUCTURE
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+ 1 PGA 1
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+
1hti/1hti_ligand.sdf ADDED
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+ 8 14 1 0 0 0
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+ M END
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+ $$$$
1hti/1hti_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1hti/1hti_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1ka7/1ka7_ligand.mol2 ADDED
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1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:48 2018
3
+ ###
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+
5
+ @<TRIPOS>MOLECULE
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+ 1ka7_ligand
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11
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12
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+ 6 CG 19.4910 13.2730 4.6920 C.3 1 ARG -0.0125
19
+ 7 CD 20.7320 14.0830 5.0260 C.3 1 ARG 0.0629
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+ 8 NE 21.9600 13.3550 4.7180 N.pl3 1 ARG -0.2723
21
+ 9 CZ 22.6070 13.4550 3.5600 C.cat 1 ARG 0.2882
22
+ 10 NH1 22.1460 14.2510 2.6040 N.pl3 1 ARG -0.2849
23
+ 11 NH2 23.7170 12.7590 3.3580 N.pl3 1 ARG -0.2849
24
+ 12 H1 16.9055 13.0855 4.7138 H 1 ARG 0.2015
25
+ 13 H2 16.6393 12.8998 6.3276 H 1 ARG 0.2015
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+ 14 H3 15.8967 11.9008 5.2505 H 1 ARG 0.2015
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+ 15 H4 17.9869 10.9496 4.5693 H 1 ARG 0.1098
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35
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36
+ 24 H13 21.2844 14.7942 2.7571 H 1 ARG 0.2615
37
+ 25 H14 24.0784 12.1398 4.0975 H 1 ARG 0.2615
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+ 26 H15 24.2181 12.8374 2.4615 H 1 ARG 0.2615
39
+ 27 N 18.2300 9.2490 6.4330 N.am 1 LYS -0.2610
40
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41
+ 29 C 16.6390 7.8510 7.6850 C.2 1 LYS 0.2040
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43
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45
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46
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47
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48
+ 36 H16 18.7460 9.0875 5.5917 H 1 LYS 0.1884
49
+ 37 H17 18.5833 7.2700 6.9900 H 1 LYS 0.0800
50
+ 38 H18 18.3311 8.0048 9.5368 H 1 LYS 0.0312
51
+ 39 H19 18.7128 9.6260 8.8641 H 1 LYS 0.0312
52
+ 40 H20 20.5223 7.5733 7.8367 H 1 LYS 0.0269
53
+ 41 H21 20.5293 7.6345 9.6319 H 1 LYS 0.0269
54
+ 42 H22 20.5606 10.3081 8.9976 H 1 LYS 0.0317
55
+ 43 H23 21.4999 9.6093 7.6352 H 1 LYS 0.0317
56
+ 44 H24 23.2855 9.4608 8.9693 H 1 LYS 0.0813
57
+ 45 H25 22.3854 8.3128 10.0174 H 1 LYS 0.0813
58
+ 46 H26 23.1835 10.2106 11.2421 H 1 LYS 0.1994
59
+ 47 H27 21.5375 10.2024 11.2302 H 1 LYS 0.1994
60
+ 48 H28 22.3623 11.2544 10.2697 H 1 LYS 0.1994
61
+ 49 N 15.7780 8.1520 6.7170 N.am 1 SER -0.2616
62
+ 50 CA 14.3490 7.8980 6.8550 C.3 1 SER 0.1539
63
+ 51 C 13.6640 7.9020 5.4930 C.2 1 SER 0.2062
64
+ 52 O 13.3910 8.9610 4.9270 O.2 1 SER -0.3943
65
+ 53 CB 13.7060 8.9470 7.7640 C.3 1 SER 0.0843
66
+ 54 OG 14.1760 10.2480 7.4550 O.3 1 SER -0.3903
67
+ 55 H29 16.1199 8.5635 5.8721 H 1 SER 0.1884
68
+ 56 H30 14.2140 6.9066 7.3120 H 1 SER 0.0823
69
+ 57 H31 13.9529 8.7152 8.8106 H 1 SER 0.0606
70
+ 58 H32 12.6146 8.9182 7.6297 H 1 SER 0.0606
71
+ 59 H33 15.1181 10.2795 7.5732 H 1 SER 0.2097
72
+ 60 N 13.3880 6.7110 4.9710 N.am 1 LEU -0.2636
73
+ 61 CA 12.7360 6.5770 3.6740 C.3 1 LEU 0.1312
74
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75
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76
+ 64 CB 13.4960 5.5800 2.7930 C.3 1 LEU -0.0101
77
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78
+ 66 CD1 15.2040 3.7450 2.7290 C.3 1 LEU -0.0625
79
+ 67 CD2 15.9190 6.0980 3.1850 C.3 1 LEU -0.0625
80
+ 68 H34 13.6337 5.8865 5.4807 H 1 LEU 0.1883
81
+ 69 H35 12.7443 7.5589 3.1782 H 1 LEU 0.0800
82
+ 70 H36 13.7154 6.0724 1.8341 H 1 LEU 0.0315
83
+ 71 H37 12.8418 4.7130 2.6188 H 1 LEU 0.0315
84
+ 72 H38 14.6788 4.8998 4.4525 H 1 LEU 0.0298
85
+ 73 H39 16.1534 3.3923 3.1582 H 1 LEU 0.0232
86
+ 74 H40 15.3222 3.8868 1.6446 H 1 LEU 0.0232
87
+ 75 H41 14.4171 3.0000 2.9178 H 1 LEU 0.0232
88
+ 76 H42 15.6202 7.0454 3.6574 H 1 LEU 0.0232
89
+ 77 H43 16.0879 6.2615 2.1104 H 1 LEU 0.0232
90
+ 78 H44 16.8462 5.7326 3.6506 H 1 LEU 0.0232
91
+ 79 N 10.5420 6.8560 4.6720 N.am 1 THR -0.2613
92
+ 80 CA 9.1400 6.5380 4.9210 C.3 1 THR 0.1565
93
+ 81 C 8.3570 7.7860 5.3220 C.2 1 THR 0.2065
94
+ 82 O 8.8270 8.5940 6.1230 O.2 1 THR -0.3943
95
+ 83 CB 8.9920 5.4780 6.0270 C.3 1 THR 0.0924
96
+ 84 OG1 10.0930 4.5630 5.9820 O.3 1 THR -0.3874
97
+ 85 CG2 7.6860 4.7120 5.8720 C.3 1 THR -0.0346
98
+ 86 H45 10.9546 7.6382 5.1387 H 1 THR 0.1884
99
+ 87 H46 8.7095 6.1367 3.9917 H 1 THR 0.0826
100
+ 88 H47 8.9903 5.9857 7.0028 H 1 THR 0.0639
101
+ 89 H48 10.1102 4.1314 5.1359 H 1 THR 0.2101
102
+ 90 H49 7.6037 3.9620 6.6724 H 1 THR 0.0257
103
+ 91 H50 7.6702 4.2081 4.8943 H 1 THR 0.0257
104
+ 92 H51 6.8402 5.4122 5.9373 H 1 THR 0.0257
105
+ 93 N 7.1620 7.9370 4.7580 N.am 1 ILE -0.2634
106
+ 94 CA 6.3150 9.0870 5.0560 C.3 1 ILE 0.1335
107
+ 95 C 5.1280 8.6890 5.9270 C.2 1 ILE 0.2043
108
+ 96 O 4.7090 9.4470 6.8010 O.2 1 ILE -0.3944
109
+ 97 CB 5.7920 9.7500 3.7640 C.3 1 ILE -0.0037
110
+ 98 CG1 6.9570 10.1060 2.8330 C.3 1 ILE -0.0491
111
+ 99 CG2 4.9700 10.9890 4.0960 C.3 1 ILE -0.0582
112
+ 100 CD1 7.9230 11.1150 3.4180 C.3 1 ILE -0.0648
113
+ 101 H52 6.8360 7.2452 4.1137 H 1 ILE 0.1883
114
+ 102 H53 6.9202 9.8230 5.6055 H 1 ILE 0.0803
115
+ 103 H54 5.1409 9.0316 3.2445 H 1 ILE 0.0345
116
+ 104 H55 6.5426 10.5221 1.9029 H 1 ILE 0.0267
117
+ 105 H56 7.5135 9.1846 2.6065 H 1 ILE 0.0267
118
+ 106 H57 4.1412 10.7110 4.7637 H 1 ILE 0.0235
119
+ 107 H58 4.5649 11.4197 3.1684 H 1 ILE 0.0235
120
+ 108 H59 5.6103 11.7308 4.5956 H 1 ILE 0.0235
121
+ 109 H60 8.7258 11.3167 2.6936 H 1 ILE 0.0230
122
+ 110 H61 8.3580 10.7118 4.3444 H 1 ILE 0.0230
123
+ 111 H62 7.3870 12.0493 3.6409 H 1 ILE 0.0230
124
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125
+ 113 CA 3.4490 6.9940 6.4390 C.3 1 TYR 0.1390
126
+ 114 C 2.2570 7.9400 6.3240 C.2 1 TYR 0.2057
127
+ 115 O 1.4090 7.9990 7.2160 O.2 1 TYR -0.3942
128
+ 116 CB 3.8260 6.8100 7.9100 C.3 1 TYR 0.0163
129
+ 117 CG 3.8750 5.3630 8.3480 C.ar 1 TYR -0.0493
130
+ 118 CD1 2.7520 4.7400 8.8810 C.ar 1 TYR -0.0685
131
+ 119 CD2 5.0430 4.6220 8.2320 C.ar 1 TYR -0.0685
132
+ 120 CE1 2.7950 3.4200 9.2850 C.ar 1 TYR -0.0398
133
+ 121 CE2 5.0930 3.3010 8.6330 C.ar 1 TYR -0.0398
134
+ 122 CZ 3.9660 2.7040 9.1590 C.ar 1 TYR 0.0805
135
+ 123 OH 4.0110 1.3890 9.5600 O.3 1 TYR -0.3376
136
+ 124 H63 4.9796 6.9300 4.9527 H 1 TYR 0.1885
137
+ 125 H64 3.1602 6.0164 6.0256 H 1 TYR 0.0821
138
+ 126 H65 3.0823 7.3349 8.5275 H 1 TYR 0.0453
139
+ 127 H66 4.8183 7.2560 8.0728 H 1 TYR 0.0453
140
+ 128 H67 1.8286 5.2989 8.9810 H 1 TYR 0.0530
141
+ 129 H68 5.9308 5.0877 7.8198 H 1 TYR 0.0530
142
+ 130 H69 1.9112 2.9489 9.6996 H 1 TYR 0.0525
143
+ 131 H70 6.0131 2.7364 8.5349 H 1 TYR 0.0525
144
+ 132 H71 3.1603 1.1323 9.8959 H 1 TYR 0.2458
145
+ 133 N 2.1980 8.6770 5.2200 N.am 1 ALA -0.2639
146
+ 134 CA 1.1110 9.6200 4.9870 C.3 1 ALA 0.1282
147
+ 135 C -0.1920 8.8920 4.6750 C.2 1 ALA 0.2036
148
+ 136 O -0.2810 7.6710 4.8120 O.2 1 ALA -0.3944
149
+ 137 CB 1.4680 10.5650 3.8510 C.3 1 ALA -0.0244
150
+ 138 H72 2.9173 8.5824 4.5317 H 1 ALA 0.1883
151
+ 139 H73 0.9656 10.2130 5.9020 H 1 ALA 0.0797
152
+ 140 H74 0.6398 11.2700 3.6865 H 1 ALA 0.0277
153
+ 141 H75 1.6435 9.9850 2.9330 H 1 ALA 0.0277
154
+ 142 H76 2.3789 11.1239 4.1115 H 1 ALA 0.0277
155
+ 143 N -1.1980 9.6500 4.2520 N.am 1 GLN -0.2636
156
+ 144 CA -2.4970 9.0810 3.9160 C.3 1 GLN 0.1330
157
+ 145 C -2.8730 9.4030 2.4740 C.2 1 GLN 0.2041
158
+ 146 O -2.1660 10.1390 1.7860 O.2 1 GLN -0.3944
159
+ 147 CB -3.5710 9.6090 4.8680 C.3 1 GLN 0.0045
160
+ 148 CG -3.7790 8.7330 6.0930 C.3 1 GLN 0.0412
161
+ 149 CD -4.0880 9.5380 7.3410 C.2 1 GLN 0.1737
162
+ 150 OE1 -3.1820 9.9730 8.0540 O.2 1 GLN -0.3973
163
+ 151 NE2 -5.3720 9.7380 7.6150 N.am 1 GLN -0.3009
164
+ 152 H77 -1.0603 10.6364 4.1619 H 1 GLN 0.1883
165
+ 153 H78 -2.4373 7.9881 4.0257 H 1 GLN 0.0801
166
+ 154 H79 -4.5223 9.6718 4.3193 H 1 GLN 0.0337
167
+ 155 H80 -3.2747 10.6135 5.2045 H 1 GLN 0.0337
168
+ 156 H81 -2.8632 8.1494 6.2682 H 1 GLN 0.0504
169
+ 157 H82 -4.6182 8.0490 5.8984 H 1 GLN 0.0504
170
+ 158 H83 -5.6346 10.2619 8.4253 H 1 GLN 0.1814
171
+ 159 H84 -6.0762 9.3647 7.0110 H 1 GLN 0.1814
172
+ 160 N -3.9930 8.8460 2.0230 N.am 1 VAL -0.2635
173
+ 161 CA -4.4690 9.0710 0.6640 C.3 1 VAL 0.1332
174
+ 162 C -5.0390 10.4790 0.5100 C.2 1 VAL 0.2042
175
+ 163 O -6.0300 10.8310 1.1490 O.2 1 VAL -0.3944
176
+ 164 CB -5.5480 8.0410 0.2740 C.3 1 VAL -0.0063
177
+ 165 CG1 -6.0010 8.2510 -1.1630 C.3 1 VAL -0.0584
178
+ 166 CG2 -5.0310 6.6240 0.4740 C.3 1 VAL -0.0584
179
+ 167 H85 -4.5231 8.2568 2.6328 H 1 VAL 0.1883
180
+ 168 H86 -3.6159 8.9610 -0.0217 H 1 VAL 0.0802
181
+ 169 H87 -6.4168 8.1867 0.9327 H 1 VAL 0.0343
182
+ 170 H88 -6.7692 7.5061 -1.4178 H 1 VAL 0.0234
183
+ 171 H89 -5.1409 8.1366 -1.8391 H 1 VAL 0.0234
184
+ 172 H90 -6.4205 9.2621 -1.2712 H 1 VAL 0.0234
185
+ 173 H91 -4.7096 6.4949 1.5180 H 1 VAL 0.0234
186
+ 174 H92 -4.1775 6.4470 -0.1969 H 1 VAL 0.0234
187
+ 175 H93 -5.8322 5.9057 0.2456 H 1 VAL 0.0234
188
+ 176 N -4.4020 11.2810 -0.3410 N.am 1 GLN -0.2636
189
+ 177 CA -4.8420 12.6530 -0.5760 C.3 1 GLN 0.1330
190
+ 178 C -5.7640 12.7360 -1.7910 C.2 1 GLN 0.2035
191
+ 179 O -5.9530 13.8100 -2.3630 O.2 1 GLN -0.3944
192
+ 180 CB -3.6340 13.5710 -0.7790 C.3 1 GLN 0.0045
193
+ 181 CG -2.5610 13.4140 0.2860 C.3 1 GLN 0.0412
194
+ 182 CD -1.1620 13.3700 -0.2980 C.2 1 GLN 0.1737
195
+ 183 OE1 -0.9730 13.5340 -1.5040 O.2 1 GLN -0.3973
196
+ 184 NE2 -0.1720 13.1470 0.5580 N.am 1 GLN -0.3009
197
+ 185 H94 -3.6022 10.9348 -0.8314 H 1 GLN 0.1883
198
+ 186 H95 -5.3991 12.9950 0.3087 H 1 GLN 0.0801
199
+ 187 H96 -3.9844 14.6136 -0.7677 H 1 GLN 0.0337
200
+ 188 H97 -3.1868 13.3450 -1.7583 H 1 GLN 0.0337
201
+ 189 H98 -2.7433 12.4782 0.8346 H 1 GLN 0.0504
202
+ 190 H99 -2.6264 14.2648 0.9802 H 1 GLN 0.0504
203
+ 191 H100 0.7722 13.1071 0.2311 H 1 GLN 0.1814
204
+ 192 H101 -0.3705 13.0189 1.5297 H 1 GLN 0.1814
205
+ 193 N -6.3340 11.6000 -2.1790 N.am 1 LYS -0.2695
206
+ 194 CA -7.2350 11.5520 -3.3260 C.3 1 LYS 0.0944
207
+ 195 C -8.5190 10.8040 -2.9820 C.2 1 LYS 0.0601
208
+ 196 O -9.6060 11.3010 -3.3430 O.co2 1 LYS -0.5666
209
+ 197 CB -6.5440 10.8850 -4.5170 C.3 1 LYS -0.0177
210
+ 198 CG -6.2950 11.8290 -5.6830 C.3 1 LYS -0.0446
211
+ 199 CD -4.8170 11.9030 -6.0330 C.3 1 LYS -0.0125
212
+ 200 CE -4.2820 13.3190 -5.8930 C.3 1 LYS -0.0354
213
+ 201 NZ -4.8180 14.2220 -6.9480 N.4 1 LYS 0.2185
214
+ 202 OXT -8.4260 9.7280 -2.3570 O.co2 1 LYS -0.5666
215
+ 203 H102 -6.1412 10.7590 -1.6735 H 1 LYS 0.1875
216
+ 204 H103 -7.4969 12.5833 -3.6050 H 1 LYS 0.0726
217
+ 205 H104 -7.1782 10.0579 -4.8685 H 1 LYS 0.0305
218
+ 206 H105 -5.5759 10.4868 -4.1791 H 1 LYS 0.0305
219
+ 207 H106 -6.6488 12.8344 -5.4110 H 1 LYS 0.0269
220
+ 208 H107 -6.8526 11.4688 -6.5601 H 1 LYS 0.0269
221
+ 209 H108 -4.6785 11.5696 -7.0721 H 1 LYS 0.0317
222
+ 210 H109 -4.2560 11.2405 -5.3575 H 1 LYS 0.0317
223
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+ M END
436
+ $$$$
1ka7/1ka7_protein_esmfold_aligned_tr_fix.pdb ADDED
@@ -0,0 +1,847 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C MET A 1 -3.370 -13.396 -0.180 1.00 75.28 C
2
+ ATOM 2 CA MET A 1 -4.484 -12.730 0.617 1.00 72.68 C
3
+ ATOM 3 CB MET A 1 -3.928 -12.172 1.929 1.00 66.34 C
4
+ ATOM 4 CE MET A 1 -3.350 -8.911 1.428 1.00 60.14 C
5
+ ATOM 5 CG MET A 1 -4.771 -11.057 2.527 1.00 61.59 C
6
+ ATOM 6 N MET A 1 -5.572 -13.668 0.879 1.00 69.46 N
7
+ ATOM 7 O MET A 1 -2.688 -12.742 -0.972 1.00 72.59 O
8
+ ATOM 8 SD MET A 1 -5.004 -9.653 1.369 1.00 64.63 S
9
+ ATOM 9 C ASP A 2 -2.132 -15.337 -2.103 1.00 72.17 C
10
+ ATOM 10 CA ASP A 2 -2.111 -15.433 -0.579 1.00 71.01 C
11
+ ATOM 11 CB ASP A 2 -2.129 -16.900 -0.143 1.00 61.39 C
12
+ ATOM 12 CG ASP A 2 -1.780 -17.088 1.322 1.00 53.92 C
13
+ ATOM 13 N ASP A 2 -3.235 -14.711 0.008 1.00 68.11 N
14
+ ATOM 14 O ASP A 2 -1.092 -15.468 -2.752 1.00 69.00 O
15
+ ATOM 15 OD1 ASP A 2 -1.133 -16.198 1.914 1.00 54.53 O
16
+ ATOM 16 OD2 ASP A 2 -2.154 -18.138 1.889 1.00 60.59 O
17
+ ATOM 17 C ALA A 3 -3.013 -13.654 -4.597 1.00 80.84 C
18
+ ATOM 18 CA ALA A 3 -3.425 -15.023 -4.065 1.00 80.31 C
19
+ ATOM 19 CB ALA A 3 -4.857 -15.345 -4.485 1.00 73.44 C
20
+ ATOM 20 N ALA A 3 -3.296 -15.082 -2.611 1.00 78.26 N
21
+ ATOM 21 O ALA A 3 -3.025 -13.423 -5.809 1.00 77.18 O
22
+ ATOM 22 C VAL A 4 -0.742 -11.322 -4.191 1.00 89.54 C
23
+ ATOM 23 CA VAL A 4 -2.261 -11.406 -4.069 1.00 88.95 C
24
+ ATOM 24 CB VAL A 4 -2.778 -10.340 -3.077 1.00 87.09 C
25
+ ATOM 25 CG1 VAL A 4 -2.402 -8.937 -3.549 1.00 80.31 C
26
+ ATOM 26 CG2 VAL A 4 -4.291 -10.462 -2.905 1.00 79.54 C
27
+ ATOM 27 N VAL A 4 -2.650 -12.752 -3.660 1.00 87.88 N
28
+ ATOM 28 O VAL A 4 -0.030 -11.362 -3.185 1.00 88.40 O
29
+ ATOM 29 C ALA A 5 2.010 -10.318 -5.001 1.00 90.49 C
30
+ ATOM 30 CA ALA A 5 1.149 -11.348 -5.728 1.00 89.70 C
31
+ ATOM 31 CB ALA A 5 1.362 -11.246 -7.236 1.00 88.02 C
32
+ ATOM 32 N ALA A 5 -0.264 -11.175 -5.400 1.00 89.01 N
33
+ ATOM 33 O ALA A 5 3.165 -10.591 -4.667 1.00 89.86 O
34
+ ATOM 34 C VAL A 6 2.304 -8.277 -2.606 1.00 93.64 C
35
+ ATOM 35 CA VAL A 6 2.330 -8.172 -4.129 1.00 93.57 C
36
+ ATOM 36 CB VAL A 6 1.820 -6.783 -4.576 1.00 92.60 C
37
+ ATOM 37 CG1 VAL A 6 1.989 -6.606 -6.084 1.00 86.04 C
38
+ ATOM 38 CG2 VAL A 6 0.359 -6.596 -4.172 1.00 84.47 C
39
+ ATOM 39 N VAL A 6 1.534 -9.248 -4.711 1.00 93.08 N
40
+ ATOM 40 O VAL A 6 2.875 -7.435 -1.909 1.00 92.88 O
41
+ ATOM 41 C TYR A 7 2.695 -10.113 -0.112 1.00 92.77 C
42
+ ATOM 42 CA TYR A 7 1.459 -9.378 -0.614 1.00 93.18 C
43
+ ATOM 43 CB TYR A 7 0.196 -10.151 -0.222 1.00 92.59 C
44
+ ATOM 44 CD1 TYR A 7 0.110 -9.486 2.213 1.00 89.50 C
45
+ ATOM 45 CD2 TYR A 7 0.069 -11.813 1.672 1.00 89.48 C
46
+ ATOM 46 CE1 TYR A 7 0.046 -9.793 3.569 1.00 89.20 C
47
+ ATOM 47 CE2 TYR A 7 0.004 -12.131 3.025 1.00 89.66 C
48
+ ATOM 48 CG TYR A 7 0.123 -10.490 1.247 1.00 91.70 C
49
+ ATOM 49 CZ TYR A 7 -0.007 -11.117 3.963 1.00 89.08 C
50
+ ATOM 50 N TYR A 7 1.515 -9.190 -2.060 1.00 92.99 N
51
+ ATOM 51 O TYR A 7 2.927 -11.269 -0.474 1.00 91.77 O
52
+ ATOM 52 OH TYR A 7 -0.071 -11.427 5.304 1.00 83.50 O
53
+ ATOM 53 C HIS A 8 4.623 -10.517 2.661 1.00 91.65 C
54
+ ATOM 54 CA HIS A 8 4.751 -10.011 1.229 1.00 92.43 C
55
+ ATOM 55 CB HIS A 8 5.833 -8.933 1.148 1.00 92.14 C
56
+ ATOM 56 CD2 HIS A 8 5.775 -8.097 -1.308 1.00 90.10 C
57
+ ATOM 57 CE1 HIS A 8 7.769 -8.776 -1.916 1.00 89.42 C
58
+ ATOM 58 CG HIS A 8 6.345 -8.700 -0.238 1.00 91.80 C
59
+ ATOM 59 N HIS A 8 3.479 -9.497 0.735 1.00 92.55 N
60
+ ATOM 60 ND1 HIS A 8 7.593 -9.115 -0.649 1.00 89.64 N
61
+ ATOM 61 NE2 HIS A 8 6.680 -8.157 -2.338 1.00 89.79 N
62
+ ATOM 62 O HIS A 8 5.605 -10.971 3.255 1.00 90.18 O
63
+ ATOM 63 C GLY A 9 3.887 -10.144 5.618 1.00 91.94 C
64
+ ATOM 64 CA GLY A 9 3.221 -10.960 4.526 1.00 91.55 C
65
+ ATOM 65 N GLY A 9 3.471 -10.439 3.192 1.00 91.74 N
66
+ ATOM 66 O GLY A 9 3.785 -8.916 5.635 1.00 91.12 O
67
+ ATOM 67 C LYS A 10 6.491 -9.819 7.633 1.00 91.10 C
68
+ ATOM 68 CA LYS A 10 5.046 -10.277 7.803 1.00 91.61 C
69
+ ATOM 69 CB LYS A 10 4.939 -11.249 8.979 1.00 90.05 C
70
+ ATOM 70 CD LYS A 10 3.470 -12.462 10.625 1.00 80.70 C
71
+ ATOM 71 CE LYS A 10 2.041 -12.764 11.053 1.00 74.34 C
72
+ ATOM 72 CG LYS A 10 3.509 -11.545 9.410 1.00 84.98 C
73
+ ATOM 73 N LYS A 10 4.543 -10.896 6.580 1.00 91.69 N
74
+ ATOM 74 NZ LYS A 10 1.997 -13.684 12.229 1.00 64.82 N
75
+ ATOM 75 O LYS A 10 7.346 -10.122 8.468 1.00 89.24 O
76
+ ATOM 76 C ILE A 11 8.175 -7.207 7.246 1.00 92.80 C
77
+ ATOM 77 CA ILE A 11 8.132 -8.557 6.532 1.00 92.61 C
78
+ ATOM 78 CB ILE A 11 8.567 -8.398 5.059 1.00 92.26 C
79
+ ATOM 79 CD1 ILE A 11 8.156 -6.983 2.962 1.00 89.90 C
80
+ ATOM 80 CG1 ILE A 11 7.656 -7.396 4.339 1.00 91.58 C
81
+ ATOM 81 CG2 ILE A 11 8.562 -9.752 4.345 1.00 91.39 C
82
+ ATOM 82 N ILE A 11 6.794 -9.127 6.636 1.00 92.47 N
83
+ ATOM 83 O ILE A 11 7.146 -6.547 7.400 1.00 92.30 O
84
+ ATOM 84 C SER A 12 9.405 -4.338 7.452 1.00 93.29 C
85
+ ATOM 85 CA SER A 12 9.558 -5.524 8.400 1.00 92.92 C
86
+ ATOM 86 CB SER A 12 10.930 -5.474 9.074 1.00 91.91 C
87
+ ATOM 87 N SER A 12 9.378 -6.790 7.696 1.00 92.78 N
88
+ ATOM 88 O SER A 12 9.500 -4.495 6.233 1.00 92.86 O
89
+ ATOM 89 OG SER A 12 11.960 -5.347 8.109 1.00 83.54 O
90
+ ATOM 90 C ARG A 13 10.383 -1.788 6.552 1.00 93.57 C
91
+ ATOM 91 CA ARG A 13 9.072 -1.980 7.307 1.00 93.47 C
92
+ ATOM 92 CB ARG A 13 8.827 -0.792 8.240 1.00 91.64 C
93
+ ATOM 93 CD ARG A 13 8.525 1.695 8.499 1.00 77.74 C
94
+ ATOM 94 CG ARG A 13 8.786 0.551 7.528 1.00 81.49 C
95
+ ATOM 95 CZ ARG A 13 7.803 4.033 8.137 1.00 69.21 C
96
+ ATOM 96 N ARG A 13 9.079 -3.230 8.061 1.00 93.37 N
97
+ ATOM 97 NE ARG A 13 8.571 2.991 7.828 1.00 73.24 N
98
+ ATOM 98 NH1 ARG A 13 6.910 3.949 9.118 1.00 59.24 N
99
+ ATOM 99 NH2 ARG A 13 7.927 5.165 7.462 1.00 55.03 N
100
+ ATOM 100 O ARG A 13 10.381 -1.393 5.383 1.00 92.92 O
101
+ ATOM 101 C GLU A 14 12.996 -2.826 5.382 1.00 94.69 C
102
+ ATOM 102 CA GLU A 14 12.824 -1.914 6.593 1.00 94.44 C
103
+ ATOM 103 CB GLU A 14 13.912 -2.204 7.630 1.00 92.85 C
104
+ ATOM 104 CD GLU A 14 16.392 -2.201 8.181 1.00 74.72 C
105
+ ATOM 105 CG GLU A 14 15.322 -1.900 7.144 1.00 80.87 C
106
+ ATOM 106 N GLU A 14 11.498 -2.065 7.184 1.00 94.44 N
107
+ ATOM 107 O GLU A 14 13.533 -2.407 4.354 1.00 94.19 O
108
+ ATOM 108 OE1 GLU A 14 16.041 -2.547 9.332 1.00 71.18 O
109
+ ATOM 109 OE2 GLU A 14 17.591 -2.088 7.841 1.00 67.84 O
110
+ ATOM 110 C THR A 15 11.817 -4.533 3.232 1.00 94.47 C
111
+ ATOM 111 CA THR A 15 12.668 -5.008 4.408 1.00 94.20 C
112
+ ATOM 112 CB THR A 15 12.215 -6.415 4.838 1.00 93.43 C
113
+ ATOM 113 CG2 THR A 15 12.271 -7.394 3.668 1.00 89.33 C
114
+ ATOM 114 N THR A 15 12.589 -4.064 5.517 1.00 94.12 N
115
+ ATOM 115 O THR A 15 12.261 -4.571 2.083 1.00 94.10 O
116
+ ATOM 116 OG1 THR A 15 13.072 -6.888 5.884 1.00 89.19 O
117
+ ATOM 117 C GLY A 16 10.331 -2.423 1.749 1.00 94.69 C
118
+ ATOM 118 CA GLY A 16 9.718 -3.610 2.467 1.00 94.58 C
119
+ ATOM 119 N GLY A 16 10.573 -4.152 3.511 1.00 94.29 N
120
+ ATOM 120 O GLY A 16 10.275 -2.336 0.521 1.00 94.24 O
121
+ ATOM 121 C GLU A 17 12.727 -0.705 1.014 1.00 95.24 C
122
+ ATOM 122 CA GLU A 17 11.580 -0.299 1.934 1.00 95.13 C
123
+ ATOM 123 CB GLU A 17 12.095 0.618 3.046 1.00 93.19 C
124
+ ATOM 124 CD GLU A 17 13.141 2.859 3.627 1.00 72.40 C
125
+ ATOM 125 CG GLU A 17 12.842 1.841 2.537 1.00 77.72 C
126
+ ATOM 126 N GLU A 17 10.918 -1.471 2.501 1.00 95.17 N
127
+ ATOM 127 O GLU A 17 12.871 -0.163 -0.084 1.00 94.65 O
128
+ ATOM 128 OE1 GLU A 17 12.678 2.672 4.774 1.00 68.35 O
129
+ ATOM 129 OE2 GLU A 17 13.843 3.852 3.330 1.00 67.20 O
130
+ ATOM 130 C LYS A 18 14.154 -2.700 -0.690 1.00 94.76 C
131
+ ATOM 131 CA LYS A 18 14.630 -2.113 0.636 1.00 94.58 C
132
+ ATOM 132 CB LYS A 18 15.447 -3.152 1.406 1.00 92.99 C
133
+ ATOM 133 CD LYS A 18 17.117 -3.643 3.224 1.00 75.97 C
134
+ ATOM 134 CE LYS A 18 17.972 -3.057 4.341 1.00 67.88 C
135
+ ATOM 135 CG LYS A 18 16.329 -2.562 2.496 1.00 81.08 C
136
+ ATOM 136 N LYS A 18 13.503 -1.650 1.440 1.00 94.68 N
137
+ ATOM 137 NZ LYS A 18 18.661 -4.123 5.126 1.00 61.00 N
138
+ ATOM 138 O LYS A 18 14.747 -2.438 -1.739 1.00 94.23 O
139
+ ATOM 139 C LEU A 19 12.077 -3.014 -2.813 1.00 94.40 C
140
+ ATOM 140 CA LEU A 19 12.571 -4.075 -1.836 1.00 94.32 C
141
+ ATOM 141 CB LEU A 19 11.426 -5.024 -1.473 1.00 93.77 C
142
+ ATOM 142 CD1 LEU A 19 10.575 -7.066 -0.294 1.00 88.58 C
143
+ ATOM 143 CD2 LEU A 19 12.643 -7.206 -1.709 1.00 88.32 C
144
+ ATOM 144 CG LEU A 19 11.819 -6.327 -0.775 1.00 91.73 C
145
+ ATOM 145 N LEU A 19 13.124 -3.460 -0.634 1.00 94.16 N
146
+ ATOM 146 O LEU A 19 12.334 -3.103 -4.016 1.00 93.99 O
147
+ ATOM 147 C LEU A 20 11.943 -0.060 -3.731 1.00 95.32 C
148
+ ATOM 148 CA LEU A 20 10.841 -0.941 -3.154 1.00 95.59 C
149
+ ATOM 149 CB LEU A 20 9.849 -0.083 -2.361 1.00 95.23 C
150
+ ATOM 150 CD1 LEU A 20 7.762 0.076 -0.983 1.00 91.94 C
151
+ ATOM 151 CD2 LEU A 20 7.651 -0.817 -3.324 1.00 91.52 C
152
+ ATOM 152 CG LEU A 20 8.494 -0.722 -2.057 1.00 94.17 C
153
+ ATOM 153 N LEU A 20 11.401 -1.988 -2.307 1.00 95.46 N
154
+ ATOM 154 O LEU A 20 11.948 0.229 -4.930 1.00 94.70 O
155
+ ATOM 155 C LEU A 21 14.873 0.485 -4.398 1.00 94.95 C
156
+ ATOM 156 CA LEU A 21 13.992 1.196 -3.376 1.00 95.20 C
157
+ ATOM 157 CB LEU A 21 14.841 1.665 -2.193 1.00 94.48 C
158
+ ATOM 158 CD1 LEU A 21 15.059 2.892 -0.017 1.00 87.44 C
159
+ ATOM 159 CD2 LEU A 21 13.943 3.999 -1.972 1.00 86.80 C
160
+ ATOM 160 CG LEU A 21 14.188 2.678 -1.250 1.00 91.77 C
161
+ ATOM 161 N LEU A 21 12.916 0.321 -2.919 1.00 95.28 N
162
+ ATOM 162 O LEU A 21 15.423 1.122 -5.299 1.00 94.24 O
163
+ ATOM 163 C ALA A 22 15.231 -1.481 -6.602 1.00 94.05 C
164
+ ATOM 164 CA ALA A 22 15.794 -1.548 -5.185 1.00 94.16 C
165
+ ATOM 165 CB ALA A 22 15.901 -3.000 -4.725 1.00 93.11 C
166
+ ATOM 166 N ALA A 22 14.972 -0.779 -4.256 1.00 94.40 N
167
+ ATOM 167 O ALA A 22 15.966 -1.652 -7.577 1.00 93.18 O
168
+ ATOM 168 C THR A 23 13.801 0.118 -8.826 1.00 93.54 C
169
+ ATOM 169 CA THR A 23 13.353 -1.160 -8.121 1.00 94.17 C
170
+ ATOM 170 CB THR A 23 11.816 -1.198 -8.047 1.00 93.43 C
171
+ ATOM 171 CG2 THR A 23 11.335 -2.346 -7.166 1.00 87.40 C
172
+ ATOM 172 N THR A 23 13.949 -1.252 -6.793 1.00 94.42 N
173
+ ATOM 173 O THR A 23 13.919 0.146 -10.052 1.00 91.99 O
174
+ ATOM 174 OG1 THR A 23 11.338 0.040 -7.504 1.00 87.73 O
175
+ ATOM 175 C GLY A 24 13.117 3.143 -9.360 1.00 93.16 C
176
+ ATOM 176 CA GLY A 24 14.229 2.510 -8.545 1.00 93.63 C
177
+ ATOM 177 N GLY A 24 13.870 1.211 -8.000 1.00 93.78 N
178
+ ATOM 178 O GLY A 24 13.343 4.124 -10.071 1.00 91.80 O
179
+ ATOM 179 C LEU A 25 9.741 3.664 -9.324 1.00 96.08 C
180
+ ATOM 180 CA LEU A 25 10.854 3.059 -10.171 1.00 96.02 C
181
+ ATOM 181 CB LEU A 25 10.300 1.908 -11.016 1.00 95.12 C
182
+ ATOM 182 CD1 LEU A 25 10.651 0.021 -12.630 1.00 84.29 C
183
+ ATOM 183 CD2 LEU A 25 11.658 2.271 -13.096 1.00 83.76 C
184
+ ATOM 184 CG LEU A 25 11.270 1.271 -12.014 1.00 90.44 C
185
+ ATOM 185 N LEU A 25 11.951 2.592 -9.332 1.00 95.97 N
186
+ ATOM 186 O LEU A 25 9.162 2.983 -8.473 1.00 95.66 O
187
+ ATOM 187 C ASP A 26 7.005 4.777 -9.336 1.00 96.13 C
188
+ ATOM 188 CA ASP A 26 8.273 5.541 -8.962 1.00 96.26 C
189
+ ATOM 189 CB ASP A 26 8.149 7.006 -9.389 1.00 95.66 C
190
+ ATOM 190 CG ASP A 26 9.139 7.916 -8.682 1.00 92.77 C
191
+ ATOM 191 N ASP A 26 9.452 4.930 -9.565 1.00 96.17 N
192
+ ATOM 192 O ASP A 26 6.825 4.393 -10.494 1.00 95.61 O
193
+ ATOM 193 OD1 ASP A 26 9.812 7.462 -7.732 1.00 89.23 O
194
+ ATOM 194 OD2 ASP A 26 9.242 9.098 -9.076 1.00 89.78 O
195
+ ATOM 195 C GLY A 27 5.129 2.316 -8.203 1.00 96.46 C
196
+ ATOM 196 CA GLY A 27 4.995 3.790 -8.535 1.00 96.46 C
197
+ ATOM 197 N GLY A 27 6.214 4.545 -8.287 1.00 96.32 N
198
+ ATOM 198 O GLY A 27 4.168 1.555 -8.339 1.00 96.06 O
199
+ ATOM 199 C SER A 28 5.744 0.370 -6.010 1.00 96.54 C
200
+ ATOM 200 CA SER A 28 6.474 0.561 -7.336 1.00 96.49 C
201
+ ATOM 201 CB SER A 28 7.959 0.236 -7.161 1.00 96.03 C
202
+ ATOM 202 N SER A 28 6.304 1.919 -7.842 1.00 96.43 N
203
+ ATOM 203 O SER A 28 5.724 1.271 -5.171 1.00 96.30 O
204
+ ATOM 204 OG SER A 28 8.629 0.261 -8.409 1.00 87.87 O
205
+ ATOM 205 C TYR A 29 4.321 -2.406 -4.207 1.00 96.15 C
206
+ ATOM 206 CA TYR A 29 4.336 -0.953 -4.666 1.00 96.29 C
207
+ ATOM 207 CB TYR A 29 2.905 -0.471 -4.921 1.00 96.08 C
208
+ ATOM 208 CD1 TYR A 29 2.330 -1.111 -7.296 1.00 94.11 C
209
+ ATOM 209 CD2 TYR A 29 1.264 -2.293 -5.514 1.00 93.80 C
210
+ ATOM 210 CE1 TYR A 29 1.638 -1.878 -8.228 1.00 93.38 C
211
+ ATOM 211 CE2 TYR A 29 0.567 -3.067 -6.437 1.00 93.37 C
212
+ ATOM 212 CG TYR A 29 2.153 -1.308 -5.928 1.00 95.45 C
213
+ ATOM 213 CZ TYR A 29 0.760 -2.852 -7.789 1.00 92.63 C
214
+ ATOM 214 N TYR A 29 5.151 -0.793 -5.866 1.00 96.19 N
215
+ ATOM 215 O TYR A 29 4.542 -3.318 -5.006 1.00 95.74 O
216
+ ATOM 216 OH TYR A 29 0.072 -3.614 -8.707 1.00 90.07 O
217
+ ATOM 217 C LEU A 30 2.895 -3.812 -1.085 1.00 95.41 C
218
+ ATOM 218 CA LEU A 30 3.804 -3.935 -2.303 1.00 95.45 C
219
+ ATOM 219 CB LEU A 30 5.137 -4.570 -1.900 1.00 94.93 C
220
+ ATOM 220 CD1 LEU A 30 5.460 -3.865 0.485 1.00 88.40 C
221
+ ATOM 221 CD2 LEU A 30 7.454 -4.243 -0.991 1.00 88.06 C
222
+ ATOM 222 CG LEU A 30 6.007 -3.763 -0.935 1.00 92.89 C
223
+ ATOM 223 N LEU A 30 4.025 -2.631 -2.921 1.00 95.42 N
224
+ ATOM 224 O LEU A 30 2.596 -2.703 -0.637 1.00 95.00 O
225
+ ATOM 225 C LEU A 31 2.179 -5.860 1.597 1.00 94.90 C
226
+ ATOM 226 CA LEU A 31 1.524 -5.007 0.515 1.00 95.11 C
227
+ ATOM 227 CB LEU A 31 0.178 -5.617 0.114 1.00 93.99 C
228
+ ATOM 228 CD1 LEU A 31 -1.410 -4.135 1.367 1.00 73.69 C
229
+ ATOM 229 CD2 LEU A 31 -2.087 -6.477 0.769 1.00 73.14 C
230
+ ATOM 230 CG LEU A 31 -0.928 -5.568 1.168 1.00 86.56 C
231
+ ATOM 231 N LEU A 31 2.396 -4.883 -0.648 1.00 95.17 N
232
+ ATOM 232 O LEU A 31 2.710 -6.935 1.309 1.00 94.15 O
233
+ ATOM 233 C ARG A 32 1.787 -6.034 5.190 1.00 94.06 C
234
+ ATOM 234 CA ARG A 32 2.683 -6.151 3.962 1.00 94.16 C
235
+ ATOM 235 CB ARG A 32 4.089 -5.645 4.288 1.00 93.54 C
236
+ ATOM 236 CD ARG A 32 5.552 -3.740 5.048 1.00 89.82 C
237
+ ATOM 237 CG ARG A 32 4.138 -4.180 4.695 1.00 91.82 C
238
+ ATOM 238 CZ ARG A 32 5.306 -1.801 6.564 1.00 86.44 C
239
+ ATOM 239 N ARG A 32 2.122 -5.417 2.832 1.00 94.14 N
240
+ ATOM 240 NE ARG A 32 5.606 -2.318 5.375 1.00 87.80 N
241
+ ATOM 241 NH1 ARG A 32 4.921 -2.582 7.565 1.00 77.85 N
242
+ ATOM 242 NH2 ARG A 32 5.390 -0.492 6.751 1.00 76.99 N
243
+ ATOM 243 O ARG A 32 0.914 -5.165 5.248 1.00 93.47 O
244
+ ATOM 244 C ASP A 33 1.936 -5.527 8.201 1.00 93.47 C
245
+ ATOM 245 CA ASP A 33 1.393 -6.736 7.443 1.00 93.68 C
246
+ ATOM 246 CB ASP A 33 1.567 -8.005 8.282 1.00 92.79 C
247
+ ATOM 247 CG ASP A 33 0.789 -9.188 7.734 1.00 89.71 C
248
+ ATOM 248 N ASP A 33 2.051 -6.884 6.149 1.00 93.70 N
249
+ ATOM 249 O ASP A 33 3.127 -5.219 8.117 1.00 92.72 O
250
+ ATOM 250 OD1 ASP A 33 -0.008 -9.011 6.788 1.00 86.06 O
251
+ ATOM 251 OD2 ASP A 33 0.973 -10.310 8.256 1.00 86.33 O
252
+ ATOM 252 C SER A 34 2.192 -4.467 10.952 1.00 92.38 C
253
+ ATOM 253 CA SER A 34 1.459 -3.849 9.766 1.00 92.89 C
254
+ ATOM 254 CB SER A 34 0.280 -3.013 10.264 1.00 91.95 C
255
+ ATOM 255 N SER A 34 1.001 -4.875 8.834 1.00 93.03 N
256
+ ATOM 256 O SER A 34 1.761 -5.490 11.490 1.00 91.13 O
257
+ ATOM 257 OG SER A 34 0.711 -2.055 11.216 1.00 86.55 O
258
+ ATOM 258 C GLU A 35 3.371 -3.799 13.778 1.00 88.96 C
259
+ ATOM 259 CA GLU A 35 4.020 -4.293 12.488 1.00 90.08 C
260
+ ATOM 260 CB GLU A 35 5.481 -3.841 12.428 1.00 88.69 C
261
+ ATOM 261 CD GLU A 35 7.713 -3.987 11.224 1.00 82.99 C
262
+ ATOM 262 CG GLU A 35 6.274 -4.473 11.293 1.00 84.58 C
263
+ ATOM 263 N GLU A 35 3.289 -3.822 11.316 1.00 90.67 N
264
+ ATOM 264 O GLU A 35 3.529 -4.415 14.834 1.00 86.70 O
265
+ ATOM 265 OE1 GLU A 35 7.944 -2.824 10.823 1.00 79.73 O
266
+ ATOM 266 OE2 GLU A 35 8.618 -4.778 11.574 1.00 80.12 O
267
+ ATOM 267 C SER A 36 0.733 -2.493 15.228 1.00 87.97 C
268
+ ATOM 268 CA SER A 36 2.176 -2.125 14.900 1.00 88.88 C
269
+ ATOM 269 CB SER A 36 2.306 -0.607 14.764 1.00 87.01 C
270
+ ATOM 270 N SER A 36 2.626 -2.787 13.680 1.00 89.64 N
271
+ ATOM 271 O SER A 36 0.346 -2.527 16.397 1.00 85.55 O
272
+ ATOM 272 OG SER A 36 1.561 -0.136 13.656 1.00 74.33 O
273
+ ATOM 273 C VAL A 37 -1.856 -4.272 13.867 1.00 89.60 C
274
+ ATOM 274 CA VAL A 37 -1.471 -2.897 14.409 1.00 89.41 C
275
+ ATOM 275 CB VAL A 37 -2.330 -1.801 13.738 1.00 87.96 C
276
+ ATOM 276 CG1 VAL A 37 -3.809 -1.999 14.066 1.00 82.86 C
277
+ ATOM 277 CG2 VAL A 37 -1.862 -0.415 14.178 1.00 82.54 C
278
+ ATOM 278 N VAL A 37 -0.046 -2.665 14.199 1.00 89.24 N
279
+ ATOM 279 O VAL A 37 -1.815 -4.503 12.657 1.00 88.49 O
280
+ ATOM 280 C PRO A 38 -3.832 -6.453 13.305 1.00 88.66 C
281
+ ATOM 281 CA PRO A 38 -2.611 -6.500 14.221 1.00 88.67 C
282
+ ATOM 282 CB PRO A 38 -2.927 -7.259 15.513 1.00 86.80 C
283
+ ATOM 283 CD PRO A 38 -2.028 -5.111 16.216 1.00 81.28 C
284
+ ATOM 284 CG PRO A 38 -2.124 -6.568 16.567 1.00 82.72 C
285
+ ATOM 285 N PRO A 38 -2.210 -5.175 14.698 1.00 88.52 N
286
+ ATOM 286 O PRO A 38 -4.796 -5.740 13.591 1.00 87.33 O
287
+ ATOM 287 C GLY A 39 -4.894 -6.213 10.282 1.00 88.03 C
288
+ ATOM 288 CA GLY A 39 -4.842 -7.324 11.313 1.00 87.84 C
289
+ ATOM 289 N GLY A 39 -3.709 -7.211 12.218 1.00 87.83 N
290
+ ATOM 290 O GLY A 39 -5.779 -6.197 9.422 1.00 86.59 O
291
+ ATOM 291 C VAL A 40 -2.817 -4.357 8.498 1.00 92.88 C
292
+ ATOM 292 CA VAL A 40 -3.962 -4.125 9.482 1.00 92.48 C
293
+ ATOM 293 CB VAL A 40 -3.763 -2.785 10.225 1.00 90.97 C
294
+ ATOM 294 CG1 VAL A 40 -3.491 -1.654 9.233 1.00 80.55 C
295
+ ATOM 295 CG2 VAL A 40 -4.984 -2.465 11.084 1.00 80.96 C
296
+ ATOM 296 N VAL A 40 -4.048 -5.245 10.413 1.00 92.34 N
297
+ ATOM 297 O VAL A 40 -1.780 -4.917 8.864 1.00 92.34 O
298
+ ATOM 298 C TYR A 41 -1.494 -2.722 5.869 1.00 93.96 C
299
+ ATOM 299 CA TYR A 41 -2.015 -4.100 6.260 1.00 93.91 C
300
+ ATOM 300 CB TYR A 41 -2.577 -4.815 5.027 1.00 93.18 C
301
+ ATOM 301 CD1 TYR A 41 -2.410 -7.328 5.204 1.00 85.45 C
302
+ ATOM 302 CD2 TYR A 41 -4.495 -6.292 5.737 1.00 85.31 C
303
+ ATOM 303 CE1 TYR A 41 -2.954 -8.580 5.479 1.00 85.14 C
304
+ ATOM 304 CE2 TYR A 41 -5.049 -7.537 6.015 1.00 85.24 C
305
+ ATOM 305 CG TYR A 41 -3.171 -6.169 5.329 1.00 90.46 C
306
+ ATOM 306 CZ TYR A 41 -4.272 -8.672 5.883 1.00 83.40 C
307
+ ATOM 307 N TYR A 41 -3.034 -3.997 7.300 1.00 93.73 N
308
+ ATOM 308 O TYR A 41 -2.144 -1.708 6.133 1.00 93.47 O
309
+ ATOM 309 OH TYR A 41 -4.816 -9.908 6.157 1.00 72.84 O
310
+ ATOM 310 C CYS A 42 0.510 -1.637 3.267 1.00 94.82 C
311
+ ATOM 311 CA CYS A 42 0.250 -1.532 4.765 1.00 94.74 C
312
+ ATOM 312 CB CYS A 42 1.562 -1.258 5.501 1.00 93.64 C
313
+ ATOM 313 N CYS A 42 -0.378 -2.747 5.273 1.00 94.68 N
314
+ ATOM 314 O CYS A 42 1.236 -2.528 2.820 1.00 94.32 O
315
+ ATOM 315 SG CYS A 42 1.344 -0.849 7.247 1.00 83.07 S
316
+ ATOM 316 C LEU A 43 1.362 0.375 0.999 1.00 95.60 C
317
+ ATOM 317 CA LEU A 43 0.222 -0.631 1.123 1.00 95.52 C
318
+ ATOM 318 CB LEU A 43 -0.999 -0.137 0.343 1.00 94.98 C
319
+ ATOM 319 CD1 LEU A 43 -0.421 -1.101 -1.898 1.00 90.15 C
320
+ ATOM 320 CD2 LEU A 43 -2.015 0.831 -1.739 1.00 89.87 C
321
+ ATOM 321 CG LEU A 43 -0.777 0.173 -1.139 1.00 93.34 C
322
+ ATOM 322 N LEU A 43 -0.123 -0.856 2.523 1.00 95.37 N
323
+ ATOM 323 O LEU A 43 1.200 1.548 1.342 1.00 95.30 O
324
+ ATOM 324 C CYS A 44 3.972 1.167 -1.006 1.00 95.69 C
325
+ ATOM 325 CA CYS A 44 3.685 0.802 0.446 1.00 95.77 C
326
+ ATOM 326 CB CYS A 44 4.891 0.079 1.045 1.00 95.12 C
327
+ ATOM 327 N CYS A 44 2.489 -0.026 0.549 1.00 95.65 N
328
+ ATOM 328 O CYS A 44 3.952 0.304 -1.884 1.00 95.25 O
329
+ ATOM 329 SG CYS A 44 4.646 -0.450 2.755 1.00 89.19 S
330
+ ATOM 330 C VAL A 45 5.767 3.795 -2.650 1.00 96.05 C
331
+ ATOM 331 CA VAL A 45 4.509 2.931 -2.602 1.00 96.05 C
332
+ ATOM 332 CB VAL A 45 3.288 3.742 -3.090 1.00 95.29 C
333
+ ATOM 333 CG1 VAL A 45 3.456 4.145 -4.554 1.00 84.24 C
334
+ ATOM 334 CG2 VAL A 45 2.003 2.937 -2.898 1.00 84.63 C
335
+ ATOM 335 N VAL A 45 4.310 2.425 -1.247 1.00 96.02 N
336
+ ATOM 336 O VAL A 45 5.967 4.662 -1.797 1.00 95.64 O
337
+ ATOM 337 C LEU A 46 7.426 5.601 -4.679 1.00 96.23 C
338
+ ATOM 338 CA LEU A 46 7.764 4.362 -3.856 1.00 96.39 C
339
+ ATOM 339 CB LEU A 46 8.841 3.539 -4.569 1.00 95.97 C
340
+ ATOM 340 CD1 LEU A 46 10.794 4.866 -3.726 1.00 89.74 C
341
+ ATOM 341 CD2 LEU A 46 11.065 3.365 -5.720 1.00 89.19 C
342
+ ATOM 342 CG LEU A 46 10.116 4.288 -4.963 1.00 93.97 C
343
+ ATOM 343 N LEU A 46 6.573 3.551 -3.624 1.00 96.38 N
344
+ ATOM 344 O LEU A 46 6.873 5.492 -5.776 1.00 95.77 O
345
+ ATOM 345 C TYR A 47 8.809 9.041 -4.519 1.00 95.73 C
346
+ ATOM 346 CA TYR A 47 7.674 8.077 -4.845 1.00 95.96 C
347
+ ATOM 347 CB TYR A 47 6.328 8.717 -4.487 1.00 95.50 C
348
+ ATOM 348 CD1 TYR A 47 5.994 10.056 -6.601 1.00 89.53 C
349
+ ATOM 349 CD2 TYR A 47 5.875 11.198 -4.507 1.00 89.00 C
350
+ ATOM 350 CE1 TYR A 47 5.749 11.249 -7.274 1.00 89.30 C
351
+ ATOM 351 CE2 TYR A 47 5.629 12.397 -5.168 1.00 89.32 C
352
+ ATOM 352 CG TYR A 47 6.061 10.013 -5.211 1.00 93.47 C
353
+ ATOM 353 CZ TYR A 47 5.568 12.413 -6.549 1.00 88.20 C
354
+ ATOM 354 N TYR A 47 7.844 6.812 -4.140 1.00 96.00 N
355
+ ATOM 355 O TYR A 47 8.990 9.427 -3.362 1.00 94.98 O
356
+ ATOM 356 OH TYR A 47 5.326 13.597 -7.209 1.00 81.07 O
357
+ ATOM 357 C HIS A 48 11.672 9.825 -4.357 1.00 95.08 C
358
+ ATOM 358 CA HIS A 48 10.714 10.245 -5.467 1.00 95.15 C
359
+ ATOM 359 CB HIS A 48 10.223 11.673 -5.226 1.00 93.60 C
360
+ ATOM 360 CD2 HIS A 48 9.382 11.822 -7.675 1.00 75.37 C
361
+ ATOM 361 CE1 HIS A 48 8.644 13.886 -7.627 1.00 74.12 C
362
+ ATOM 362 CG HIS A 48 9.603 12.307 -6.430 1.00 85.19 C
363
+ ATOM 363 N HIS A 48 9.585 9.326 -5.564 1.00 95.38 N
364
+ ATOM 364 ND1 HIS A 48 9.132 13.602 -6.430 1.00 72.40 N
365
+ ATOM 365 NE2 HIS A 48 8.784 12.823 -8.400 1.00 74.42 N
366
+ ATOM 366 O HIS A 48 12.144 10.667 -3.589 1.00 93.82 O
367
+ ATOM 367 C GLY A 49 12.375 7.851 -1.881 1.00 93.44 C
368
+ ATOM 368 CA GLY A 49 12.893 8.069 -3.290 1.00 93.73 C
369
+ ATOM 369 N GLY A 49 11.880 8.579 -4.201 1.00 93.82 N
370
+ ATOM 370 O GLY A 49 13.132 7.467 -0.987 1.00 92.08 O
371
+ ATOM 371 C TYR A 50 9.371 6.926 -0.425 1.00 94.87 C
372
+ ATOM 372 CA TYR A 50 10.471 7.978 -0.353 1.00 94.69 C
373
+ ATOM 373 CB TYR A 50 9.897 9.300 0.163 1.00 93.63 C
374
+ ATOM 374 CD1 TYR A 50 11.693 10.395 1.563 1.00 82.42 C
375
+ ATOM 375 CD2 TYR A 50 11.175 11.349 -0.566 1.00 82.42 C
376
+ ATOM 376 CE1 TYR A 50 12.653 11.378 1.777 1.00 82.29 C
377
+ ATOM 377 CE2 TYR A 50 12.134 12.336 -0.362 1.00 81.77 C
378
+ ATOM 378 CG TYR A 50 10.940 10.368 0.390 1.00 88.25 C
379
+ ATOM 379 CZ TYR A 50 12.867 12.342 0.810 1.00 79.90 C
380
+ ATOM 380 N TYR A 50 11.097 8.166 -1.657 1.00 94.44 N
381
+ ATOM 381 O TYR A 50 8.735 6.752 -1.468 1.00 94.54 O
382
+ ATOM 382 OH TYR A 50 13.817 13.317 1.017 1.00 71.24 O
383
+ ATOM 383 C ILE A 51 6.896 5.870 1.479 1.00 94.93 C
384
+ ATOM 384 CA ILE A 51 8.124 5.267 0.798 1.00 95.38 C
385
+ ATOM 385 CB ILE A 51 8.602 4.014 1.565 1.00 94.75 C
386
+ ATOM 386 CD1 ILE A 51 9.874 3.225 -0.513 1.00 85.74 C
387
+ ATOM 387 CG1 ILE A 51 9.924 3.503 0.983 1.00 90.10 C
388
+ ATOM 388 CG2 ILE A 51 7.529 2.921 1.534 1.00 88.99 C
389
+ ATOM 389 N ILE A 51 9.178 6.271 0.706 1.00 95.35 N
390
+ ATOM 390 O ILE A 51 6.988 6.388 2.593 1.00 93.95 O
391
+ ATOM 391 C TYR A 52 3.735 5.055 1.762 1.00 94.29 C
392
+ ATOM 392 CA TYR A 52 4.560 6.276 1.368 1.00 94.52 C
393
+ ATOM 393 CB TYR A 52 3.785 7.126 0.358 1.00 93.92 C
394
+ ATOM 394 CD1 TYR A 52 3.950 9.624 0.697 1.00 88.50 C
395
+ ATOM 395 CD2 TYR A 52 5.489 8.580 -0.802 1.00 88.29 C
396
+ ATOM 396 CE1 TYR A 52 4.530 10.861 0.442 1.00 87.69 C
397
+ ATOM 397 CE2 TYR A 52 6.077 9.813 -1.064 1.00 88.04 C
398
+ ATOM 398 CG TYR A 52 4.419 8.467 0.079 1.00 91.77 C
399
+ ATOM 399 CZ TYR A 52 5.592 10.945 -0.439 1.00 86.12 C
400
+ ATOM 400 N TYR A 52 5.851 5.877 0.819 1.00 94.49 N
401
+ ATOM 401 O TYR A 52 3.628 4.096 0.993 1.00 93.64 O
402
+ ATOM 402 OH TYR A 52 6.170 12.168 -0.694 1.00 80.64 O
403
+ ATOM 403 C THR A 53 0.980 4.282 3.715 1.00 93.78 C
404
+ ATOM 404 CA THR A 53 2.444 3.935 3.462 1.00 94.17 C
405
+ ATOM 405 CB THR A 53 3.093 3.451 4.771 1.00 93.03 C
406
+ ATOM 406 CG2 THR A 53 2.345 2.252 5.346 1.00 84.72 C
407
+ ATOM 407 N THR A 53 3.158 5.080 2.908 1.00 94.18 N
408
+ ATOM 408 O THR A 53 0.676 5.313 4.320 1.00 92.82 O
409
+ ATOM 409 OG1 THR A 53 4.451 3.073 4.514 1.00 85.35 O
410
+ ATOM 410 C TYR A 54 -1.844 2.396 4.234 1.00 93.38 C
411
+ ATOM 411 CA TYR A 54 -1.287 3.600 3.483 1.00 93.67 C
412
+ ATOM 412 CB TYR A 54 -2.007 3.756 2.139 1.00 93.25 C
413
+ ATOM 413 CD1 TYR A 54 -2.087 6.195 1.489 1.00 90.59 C
414
+ ATOM 414 CD2 TYR A 54 -0.505 4.781 0.390 1.00 90.38 C
415
+ ATOM 415 CE1 TYR A 54 -1.646 7.281 0.738 1.00 89.44 C
416
+ ATOM 416 CE2 TYR A 54 -0.057 5.859 -0.365 1.00 89.69 C
417
+ ATOM 417 CG TYR A 54 -1.524 4.931 1.325 1.00 92.38 C
418
+ ATOM 418 CZ TYR A 54 -0.633 7.103 -0.184 1.00 88.95 C
419
+ ATOM 419 N TYR A 54 0.151 3.469 3.280 1.00 93.68 N
420
+ ATOM 420 O TYR A 54 -1.681 1.255 3.798 1.00 92.62 O
421
+ ATOM 421 OH TYR A 54 -0.193 8.175 -0.929 1.00 86.41 O
422
+ ATOM 422 C ARG A 55 -4.384 0.991 5.312 1.00 93.59 C
423
+ ATOM 423 CA ARG A 55 -3.173 1.560 6.046 1.00 93.36 C
424
+ ATOM 424 CB ARG A 55 -3.586 2.057 7.431 1.00 91.61 C
425
+ ATOM 425 CD ARG A 55 -2.881 2.776 9.740 1.00 76.31 C
426
+ ATOM 426 CG ARG A 55 -2.415 2.349 8.356 1.00 81.09 C
427
+ ATOM 427 CZ ARG A 55 -1.857 3.804 11.743 1.00 67.22 C
428
+ ATOM 428 N ARG A 55 -2.552 2.636 5.278 1.00 93.31 N
429
+ ATOM 429 NE ARG A 55 -1.757 3.122 10.605 1.00 70.14 N
430
+ ATOM 430 NH1 ARG A 55 -3.039 4.229 12.177 1.00 51.74 N
431
+ ATOM 431 NH2 ARG A 55 -0.768 4.064 12.452 1.00 46.48 N
432
+ ATOM 432 O ARG A 55 -5.246 1.742 4.851 1.00 92.98 O
433
+ ATOM 433 C VAL A 56 -6.126 -1.945 5.575 1.00 93.37 C
434
+ ATOM 434 CA VAL A 56 -5.472 -1.019 4.553 1.00 94.00 C
435
+ ATOM 435 CB VAL A 56 -4.968 -1.832 3.340 1.00 93.27 C
436
+ ATOM 436 CG1 VAL A 56 -6.108 -2.639 2.721 1.00 89.61 C
437
+ ATOM 437 CG2 VAL A 56 -4.338 -0.906 2.301 1.00 89.19 C
438
+ ATOM 438 N VAL A 56 -4.389 -0.272 5.185 1.00 93.97 N
439
+ ATOM 439 O VAL A 56 -5.440 -2.710 6.257 1.00 92.27 O
440
+ ATOM 440 C SER A 57 -9.310 -3.366 5.993 1.00 92.24 C
441
+ ATOM 441 CA SER A 57 -8.124 -2.647 6.627 1.00 92.25 C
442
+ ATOM 442 CB SER A 57 -8.610 -1.761 7.776 1.00 90.65 C
443
+ ATOM 443 N SER A 57 -7.398 -1.854 5.641 1.00 92.52 N
444
+ ATOM 444 O SER A 57 -9.809 -2.947 4.947 1.00 91.32 O
445
+ ATOM 445 OG SER A 57 -9.381 -0.678 7.285 1.00 76.18 O
446
+ ATOM 446 C GLN A 58 -11.867 -5.084 7.263 1.00 90.48 C
447
+ ATOM 447 CA GLN A 58 -10.790 -5.187 6.187 1.00 90.86 C
448
+ ATOM 448 CB GLN A 58 -10.446 -6.655 5.926 1.00 89.28 C
449
+ ATOM 449 CD GLN A 58 -11.167 -8.868 4.932 1.00 82.53 C
450
+ ATOM 450 CG GLN A 58 -11.555 -7.432 5.231 1.00 84.42 C
451
+ ATOM 451 N GLN A 58 -9.595 -4.439 6.565 1.00 90.99 N
452
+ ATOM 452 NE2 GLN A 58 -11.786 -9.450 3.911 1.00 78.97 N
453
+ ATOM 453 O GLN A 58 -11.588 -5.282 8.447 1.00 89.07 O
454
+ ATOM 454 OE1 GLN A 58 -10.316 -9.449 5.613 1.00 79.80 O
455
+ ATOM 455 C THR A 59 -14.612 -6.067 8.236 1.00 89.26 C
456
+ ATOM 456 CA THR A 59 -14.195 -4.669 7.790 1.00 89.39 C
457
+ ATOM 457 CB THR A 59 -15.405 -3.941 7.175 1.00 88.32 C
458
+ ATOM 458 CG2 THR A 59 -15.009 -2.567 6.643 1.00 83.62 C
459
+ ATOM 459 N THR A 59 -13.084 -4.736 6.849 1.00 89.68 N
460
+ ATOM 460 O THR A 59 -14.185 -7.064 7.649 1.00 87.94 O
461
+ ATOM 461 OG1 THR A 59 -15.930 -4.725 6.097 1.00 83.63 O
462
+ ATOM 462 C GLU A 60 -16.836 -8.153 8.586 1.00 88.23 C
463
+ ATOM 463 CA GLU A 60 -16.047 -7.443 9.683 1.00 88.41 C
464
+ ATOM 464 CB GLU A 60 -16.927 -7.250 10.921 1.00 86.06 C
465
+ ATOM 465 CD GLU A 60 -17.046 -6.602 13.375 1.00 73.09 C
466
+ ATOM 466 CG GLU A 60 -16.159 -6.798 12.155 1.00 77.44 C
467
+ ATOM 467 N GLU A 60 -15.532 -6.159 9.215 1.00 88.62 N
468
+ ATOM 468 O GLU A 60 -16.860 -9.384 8.529 1.00 86.62 O
469
+ ATOM 469 OE1 GLU A 60 -18.286 -6.719 13.248 1.00 71.24 O
470
+ ATOM 470 OE2 GLU A 60 -16.495 -6.328 14.464 1.00 67.10 O
471
+ ATOM 471 C THR A 61 -17.332 -8.373 5.471 1.00 86.68 C
472
+ ATOM 472 CA THR A 61 -18.205 -7.986 6.662 1.00 87.49 C
473
+ ATOM 473 CB THR A 61 -19.307 -7.014 6.199 1.00 85.38 C
474
+ ATOM 474 CG2 THR A 61 -20.282 -6.710 7.333 1.00 76.24 C
475
+ ATOM 475 N THR A 61 -17.396 -7.401 7.726 1.00 88.55 N
476
+ ATOM 476 O THR A 61 -17.828 -8.919 4.483 1.00 84.07 O
477
+ ATOM 477 OG1 THR A 61 -18.704 -5.791 5.761 1.00 77.46 O
478
+ ATOM 478 C GLY A 62 -14.721 -7.480 3.469 1.00 89.28 C
479
+ ATOM 479 CA GLY A 62 -15.128 -8.536 4.481 1.00 89.36 C
480
+ ATOM 480 N GLY A 62 -16.047 -8.035 5.491 1.00 89.25 N
481
+ ATOM 481 O GLY A 62 -13.960 -7.762 2.541 1.00 87.46 O
482
+ ATOM 482 C SER A 63 -13.542 -4.591 2.989 1.00 92.25 C
483
+ ATOM 483 CA SER A 63 -14.886 -5.214 2.628 1.00 91.91 C
484
+ ATOM 484 CB SER A 63 -15.970 -4.136 2.611 1.00 90.45 C
485
+ ATOM 485 N SER A 63 -15.241 -6.282 3.557 1.00 91.72 N
486
+ ATOM 486 O SER A 63 -13.169 -4.545 4.163 1.00 91.55 O
487
+ ATOM 487 OG SER A 63 -17.215 -4.679 2.205 1.00 76.89 O
488
+ ATOM 488 C TRP A 64 -11.581 -2.021 1.942 1.00 92.65 C
489
+ ATOM 489 CA TRP A 64 -11.549 -3.535 2.127 1.00 93.25 C
490
+ ATOM 490 CB TRP A 64 -10.581 -4.164 1.122 1.00 92.19 C
491
+ ATOM 491 CD1 TRP A 64 -11.091 -6.665 0.853 1.00 83.16 C
492
+ ATOM 492 CD2 TRP A 64 -9.289 -6.219 2.106 1.00 84.73 C
493
+ ATOM 493 CE2 TRP A 64 -9.458 -7.619 2.039 1.00 88.04 C
494
+ ATOM 494 CE3 TRP A 64 -8.217 -5.698 2.841 1.00 85.99 C
495
+ ATOM 495 CG TRP A 64 -10.344 -5.628 1.340 1.00 88.93 C
496
+ ATOM 496 CH2 TRP A 64 -7.551 -7.971 3.396 1.00 83.28 C
497
+ ATOM 497 CZ2 TRP A 64 -8.591 -8.507 2.683 1.00 84.70 C
498
+ ATOM 498 CZ3 TRP A 64 -7.356 -6.583 3.482 1.00 84.29 C
499
+ ATOM 499 N TRP A 64 -12.884 -4.106 1.981 1.00 92.30 N
500
+ ATOM 500 NE1 TRP A 64 -10.563 -7.866 1.269 1.00 86.40 N
501
+ ATOM 501 O TRP A 64 -12.337 -1.507 1.115 1.00 91.45 O
502
+ ATOM 502 C SER A 65 -9.134 0.548 2.846 1.00 92.41 C
503
+ ATOM 503 CA SER A 65 -10.558 0.124 2.500 1.00 92.22 C
504
+ ATOM 504 CB SER A 65 -11.553 0.887 3.376 1.00 91.00 C
505
+ ATOM 505 N SER A 65 -10.735 -1.316 2.659 1.00 92.11 N
506
+ ATOM 506 O SER A 65 -8.429 -0.159 3.570 1.00 91.78 O
507
+ ATOM 507 OG SER A 65 -11.272 0.685 4.750 1.00 81.27 O
508
+ ATOM 508 C ALA A 66 -7.636 3.663 3.163 1.00 91.65 C
509
+ ATOM 509 CA ALA A 66 -7.485 2.250 2.605 1.00 92.33 C
510
+ ATOM 510 CB ALA A 66 -6.627 2.269 1.343 1.00 91.29 C
511
+ ATOM 511 N ALA A 66 -8.789 1.654 2.325 1.00 92.39 N
512
+ ATOM 512 O ALA A 66 -8.571 4.382 2.804 1.00 90.13 O
513
+ ATOM 513 C GLU A 67 -5.987 6.262 3.570 1.00 88.97 C
514
+ ATOM 514 CA GLU A 67 -6.738 5.372 4.558 1.00 89.86 C
515
+ ATOM 515 CB GLU A 67 -6.061 5.424 5.931 1.00 87.37 C
516
+ ATOM 516 CD GLU A 67 -6.161 4.778 8.386 1.00 74.13 C
517
+ ATOM 517 CG GLU A 67 -6.856 4.739 7.033 1.00 78.26 C
518
+ ATOM 518 N GLU A 67 -6.816 3.997 4.076 1.00 90.58 N
519
+ ATOM 519 O GLU A 67 -4.841 5.978 3.219 1.00 86.09 O
520
+ ATOM 520 OE1 GLU A 67 -5.045 5.337 8.478 1.00 70.68 O
521
+ ATOM 521 OE2 GLU A 67 -6.738 4.244 9.359 1.00 68.91 O
522
+ ATOM 522 C THR A 68 -6.026 9.515 2.489 1.00 84.11 C
523
+ ATOM 523 CA THR A 68 -6.064 8.080 1.970 1.00 85.58 C
524
+ ATOM 524 CB THR A 68 -6.823 8.036 0.631 1.00 83.57 C
525
+ ATOM 525 CG2 THR A 68 -6.792 6.635 0.027 1.00 80.84 C
526
+ ATOM 526 N THR A 68 -6.672 7.191 2.953 1.00 86.08 N
527
+ ATOM 527 O THR A 68 -6.329 9.766 3.657 1.00 79.52 O
528
+ ATOM 528 OG1 THR A 68 -8.187 8.419 0.849 1.00 80.55 O
529
+ ATOM 529 C ALA A 69 -6.725 12.365 2.544 1.00 82.65 C
530
+ ATOM 530 CA ALA A 69 -5.406 11.821 2.003 1.00 82.11 C
531
+ ATOM 531 CB ALA A 69 -4.951 12.640 0.797 1.00 80.10 C
532
+ ATOM 532 N ALA A 69 -5.527 10.411 1.644 1.00 82.82 N
533
+ ATOM 533 O ALA A 69 -7.800 11.906 2.152 1.00 80.81 O
534
+ ATOM 534 C PRO A 70 -8.699 14.533 2.850 1.00 80.40 C
535
+ ATOM 535 CA PRO A 70 -7.853 13.934 3.972 1.00 80.58 C
536
+ ATOM 536 CB PRO A 70 -7.329 15.029 4.905 1.00 77.22 C
537
+ ATOM 537 CD PRO A 70 -5.399 13.794 4.092 1.00 73.77 C
538
+ ATOM 538 CG PRO A 70 -5.930 14.618 5.230 1.00 74.39 C
539
+ ATOM 539 N PRO A 70 -6.629 13.298 3.479 1.00 80.50 N
540
+ ATOM 540 O PRO A 70 -8.156 15.032 1.861 1.00 77.34 O
541
+ ATOM 541 C GLY A 71 -11.276 13.983 0.901 1.00 78.14 C
542
+ ATOM 542 CA GLY A 71 -10.873 14.969 1.982 1.00 79.28 C
543
+ ATOM 543 N GLY A 71 -9.974 14.397 2.971 1.00 79.15 N
544
+ ATOM 544 O GLY A 71 -12.167 14.263 0.098 1.00 74.94 O
545
+ ATOM 545 C VAL A 72 -11.879 10.820 0.578 1.00 80.51 C
546
+ ATOM 546 CA VAL A 72 -10.892 11.774 -0.088 1.00 80.74 C
547
+ ATOM 547 CB VAL A 72 -9.659 10.995 -0.600 1.00 77.28 C
548
+ ATOM 548 CG1 VAL A 72 -10.085 9.870 -1.541 1.00 70.18 C
549
+ ATOM 549 CG2 VAL A 72 -8.683 11.940 -1.298 1.00 69.75 C
550
+ ATOM 550 N VAL A 72 -10.510 12.825 0.850 1.00 80.04 N
551
+ ATOM 551 O VAL A 72 -11.647 10.359 1.699 1.00 77.73 O
552
+ ATOM 552 C HIS A 73 -13.513 8.386 0.613 1.00 83.12 C
553
+ ATOM 553 CA HIS A 73 -14.002 9.827 0.516 1.00 82.98 C
554
+ ATOM 554 CB HIS A 73 -15.258 9.899 -0.354 1.00 77.66 C
555
+ ATOM 555 CD2 HIS A 73 -17.421 9.455 1.009 1.00 62.85 C
556
+ ATOM 556 CE1 HIS A 73 -17.685 7.340 0.496 1.00 55.63 C
557
+ ATOM 557 CG HIS A 73 -16.407 9.105 0.184 1.00 68.17 C
558
+ ATOM 558 N HIS A 73 -12.963 10.701 -0.016 1.00 81.28 N
559
+ ATOM 559 ND1 HIS A 73 -16.599 7.774 -0.120 1.00 59.21 N
560
+ ATOM 560 NE2 HIS A 73 -18.202 8.342 1.188 1.00 53.76 N
561
+ ATOM 561 O HIS A 73 -12.921 7.862 -0.334 1.00 80.78 O
562
+ ATOM 562 C LYS A 74 -14.240 5.631 1.105 1.00 85.60 C
563
+ ATOM 563 CA LYS A 74 -13.422 6.551 2.006 1.00 85.07 C
564
+ ATOM 564 CB LYS A 74 -13.635 6.173 3.473 1.00 82.10 C
565
+ ATOM 565 CD LYS A 74 -12.979 4.674 5.385 1.00 73.43 C
566
+ ATOM 566 CE LYS A 74 -12.167 3.454 5.799 1.00 67.58 C
567
+ ATOM 567 CG LYS A 74 -12.988 4.855 3.873 1.00 75.69 C
568
+ ATOM 568 N LYS A 74 -13.767 7.952 1.782 1.00 84.60 N
569
+ ATOM 569 NZ LYS A 74 -12.005 3.371 7.281 1.00 61.25 N
570
+ ATOM 570 O LYS A 74 -15.456 5.796 0.982 1.00 83.77 O
571
+ ATOM 571 C ARG A 75 -14.041 2.300 0.084 1.00 90.88 C
572
+ ATOM 572 CA ARG A 75 -14.270 3.723 -0.412 1.00 90.43 C
573
+ ATOM 573 CB ARG A 75 -13.736 3.874 -1.838 1.00 88.47 C
574
+ ATOM 574 CD ARG A 75 -13.310 5.398 -3.797 1.00 78.53 C
575
+ ATOM 575 CG ARG A 75 -14.028 5.228 -2.465 1.00 81.40 C
576
+ ATOM 576 CZ ARG A 75 -13.170 4.176 -5.942 1.00 71.91 C
577
+ ATOM 577 N ARG A 75 -13.642 4.696 0.476 1.00 89.97 N
578
+ ATOM 578 NE ARG A 75 -13.785 4.441 -4.791 1.00 73.63 N
579
+ ATOM 579 NH1 ARG A 75 -12.041 4.792 -6.265 1.00 60.96 N
580
+ ATOM 580 NH2 ARG A 75 -13.691 3.286 -6.774 1.00 56.51 N
581
+ ATOM 581 O ARG A 75 -13.015 2.010 0.703 1.00 90.14 O
582
+ ATOM 582 C TYR A 76 -15.028 -0.813 -0.980 1.00 91.58 C
583
+ ATOM 583 CA TYR A 76 -14.961 0.106 0.234 1.00 91.65 C
584
+ ATOM 584 CB TYR A 76 -16.098 -0.224 1.204 1.00 90.62 C
585
+ ATOM 585 CD1 TYR A 76 -15.300 -0.110 3.597 1.00 85.35 C
586
+ ATOM 586 CD2 TYR A 76 -16.558 1.727 2.735 1.00 86.03 C
587
+ ATOM 587 CE1 TYR A 76 -15.192 0.531 4.827 1.00 86.61 C
588
+ ATOM 588 CE2 TYR A 76 -16.458 2.378 3.961 1.00 87.21 C
589
+ ATOM 589 CG TYR A 76 -15.983 0.477 2.535 1.00 88.71 C
590
+ ATOM 590 CZ TYR A 76 -15.774 1.772 4.998 1.00 85.24 C
591
+ ATOM 591 N TYR A 76 -15.021 1.507 -0.169 1.00 90.95 N
592
+ ATOM 592 O TYR A 76 -15.793 -0.562 -1.915 1.00 90.74 O
593
+ ATOM 593 OH TYR A 76 -15.672 2.413 6.214 1.00 80.60 O
594
+ ATOM 594 C PHE A 77 -14.354 -4.193 -1.496 1.00 91.97 C
595
+ ATOM 595 CA PHE A 77 -14.113 -2.773 -1.992 1.00 92.16 C
596
+ ATOM 596 CB PHE A 77 -12.742 -2.679 -2.669 1.00 91.78 C
597
+ ATOM 597 CD1 PHE A 77 -12.713 -0.962 -4.508 1.00 89.35 C
598
+ ATOM 598 CD2 PHE A 77 -11.817 -0.360 -2.374 1.00 89.32 C
599
+ ATOM 599 CE1 PHE A 77 -12.415 0.308 -4.998 1.00 89.15 C
600
+ ATOM 600 CE2 PHE A 77 -11.515 0.911 -2.856 1.00 89.40 C
601
+ ATOM 601 CG PHE A 77 -12.418 -1.307 -3.195 1.00 91.10 C
602
+ ATOM 602 CZ PHE A 77 -11.814 1.242 -4.168 1.00 88.30 C
603
+ ATOM 603 N PHE A 77 -14.211 -1.817 -0.894 1.00 91.80 N
604
+ ATOM 604 O PHE A 77 -13.892 -4.566 -0.415 1.00 91.17 O
605
+ ATOM 605 C ARG A 78 -14.060 -7.168 -1.866 1.00 91.38 C
606
+ ATOM 606 CA ARG A 78 -15.321 -6.313 -1.935 1.00 91.45 C
607
+ ATOM 607 CB ARG A 78 -16.320 -6.931 -2.917 1.00 89.44 C
608
+ ATOM 608 CD ARG A 78 -17.920 -8.806 -3.433 1.00 75.23 C
609
+ ATOM 609 CG ARG A 78 -16.848 -8.290 -2.484 1.00 79.66 C
610
+ ATOM 610 CZ ARG A 78 -19.239 -10.875 -3.749 1.00 67.44 C
611
+ ATOM 611 N ARG A 78 -15.004 -4.942 -2.321 1.00 91.69 N
612
+ ATOM 612 NE ARG A 78 -18.247 -10.204 -3.169 1.00 69.00 N
613
+ ATOM 613 NH1 ARG A 78 -20.024 -10.283 -4.642 1.00 53.98 N
614
+ ATOM 614 NH2 ARG A 78 -19.447 -12.144 -3.435 1.00 49.34 N
615
+ ATOM 615 O ARG A 78 -13.948 -8.050 -1.011 1.00 90.03 O
616
+ ATOM 616 C LYS A 79 -10.672 -6.757 -2.724 1.00 92.22 C
617
+ ATOM 617 CA LYS A 79 -11.877 -7.693 -2.752 1.00 91.62 C
618
+ ATOM 618 CB LYS A 79 -11.833 -8.565 -4.007 1.00 90.13 C
619
+ ATOM 619 CD LYS A 79 -12.803 -10.486 -5.313 1.00 81.11 C
620
+ ATOM 620 CE LYS A 79 -13.899 -11.542 -5.375 1.00 75.58 C
621
+ ATOM 621 CG LYS A 79 -12.932 -9.615 -4.071 1.00 83.58 C
622
+ ATOM 622 N LYS A 79 -13.129 -6.943 -2.693 1.00 91.46 N
623
+ ATOM 623 NZ LYS A 79 -13.794 -12.379 -6.606 1.00 69.98 N
624
+ ATOM 624 O LYS A 79 -10.730 -5.647 -3.258 1.00 91.78 O
625
+ ATOM 625 C ILE A 80 -7.879 -6.154 -3.473 1.00 92.86 C
626
+ ATOM 626 CA ILE A 80 -8.381 -6.448 -2.061 1.00 92.49 C
627
+ ATOM 627 CB ILE A 80 -7.286 -7.166 -1.241 1.00 90.53 C
628
+ ATOM 628 CD1 ILE A 80 -6.300 -4.987 -0.320 1.00 72.27 C
629
+ ATOM 629 CG1 ILE A 80 -6.049 -6.269 -1.101 1.00 76.38 C
630
+ ATOM 630 CG2 ILE A 80 -6.920 -8.506 -1.885 1.00 75.91 C
631
+ ATOM 631 N ILE A 80 -9.604 -7.241 -2.128 1.00 91.89 N
632
+ ATOM 632 O ILE A 80 -7.354 -5.070 -3.738 1.00 92.18 O
633
+ ATOM 633 C LYS A 81 -8.343 -5.573 -6.456 1.00 92.89 C
634
+ ATOM 634 CA LYS A 81 -7.637 -6.784 -5.851 1.00 92.53 C
635
+ ATOM 635 CB LYS A 81 -7.905 -8.026 -6.701 1.00 90.26 C
636
+ ATOM 636 CD LYS A 81 -7.247 -10.374 -7.325 1.00 73.89 C
637
+ ATOM 637 CE LYS A 81 -6.320 -11.544 -7.026 1.00 65.41 C
638
+ ATOM 638 CG LYS A 81 -6.971 -9.191 -6.407 1.00 78.29 C
639
+ ATOM 639 N LYS A 81 -8.060 -7.004 -4.472 1.00 92.42 N
640
+ ATOM 640 NZ LYS A 81 -6.624 -12.727 -7.884 1.00 58.18 N
641
+ ATOM 641 O LYS A 81 -7.754 -4.834 -7.246 1.00 92.24 O
642
+ ATOM 642 C ASN A 82 -9.797 -2.942 -5.978 1.00 93.03 C
643
+ ATOM 643 CA ASN A 82 -10.340 -4.249 -6.551 1.00 92.75 C
644
+ ATOM 644 CB ASN A 82 -11.828 -4.393 -6.225 1.00 91.53 C
645
+ ATOM 645 CG ASN A 82 -12.476 -5.549 -6.960 1.00 85.19 C
646
+ ATOM 646 N ASN A 82 -9.594 -5.400 -6.057 1.00 92.63 N
647
+ ATOM 647 ND2 ASN A 82 -13.646 -5.970 -6.490 1.00 79.16 N
648
+ ATOM 648 O ASN A 82 -9.772 -1.920 -6.667 1.00 92.47 O
649
+ ATOM 649 OD1 ASN A 82 -11.931 -6.061 -7.941 1.00 79.60 O
650
+ ATOM 650 C LEU A 83 -7.502 -1.463 -4.845 1.00 94.39 C
651
+ ATOM 651 CA LEU A 83 -8.800 -1.830 -4.133 1.00 94.09 C
652
+ ATOM 652 CB LEU A 83 -8.527 -2.076 -2.647 1.00 93.14 C
653
+ ATOM 653 CD1 LEU A 83 -8.379 -0.971 -0.401 1.00 80.37 C
654
+ ATOM 654 CD2 LEU A 83 -6.421 -0.889 -1.970 1.00 80.52 C
655
+ ATOM 655 CG LEU A 83 -7.942 -0.901 -1.860 1.00 87.99 C
656
+ ATOM 656 N LEU A 83 -9.413 -3.005 -4.741 1.00 93.84 N
657
+ ATOM 657 O LEU A 83 -7.302 -0.308 -5.227 1.00 93.99 O
658
+ ATOM 658 C ILE A 84 -5.602 -1.644 -7.154 1.00 94.20 C
659
+ ATOM 659 CA ILE A 84 -5.363 -2.181 -5.745 1.00 94.39 C
660
+ ATOM 660 CB ILE A 84 -4.518 -3.472 -5.800 1.00 93.53 C
661
+ ATOM 661 CD1 ILE A 84 -3.451 -5.263 -4.308 1.00 84.83 C
662
+ ATOM 662 CG1 ILE A 84 -4.052 -3.867 -4.392 1.00 89.25 C
663
+ ATOM 663 CG2 ILE A 84 -3.324 -3.297 -6.741 1.00 88.74 C
664
+ ATOM 664 N ILE A 84 -6.642 -2.407 -5.080 1.00 94.23 N
665
+ ATOM 665 O ILE A 84 -4.946 -0.691 -7.580 1.00 93.49 O
666
+ ATOM 666 C SER A 85 -7.365 -0.338 -9.208 1.00 94.04 C
667
+ ATOM 667 CA SER A 85 -6.907 -1.793 -9.203 1.00 94.03 C
668
+ ATOM 668 CB SER A 85 -7.996 -2.680 -9.809 1.00 92.83 C
669
+ ATOM 669 N SER A 85 -6.577 -2.239 -7.853 1.00 94.18 N
670
+ ATOM 670 O SER A 85 -7.021 0.424 -10.114 1.00 93.35 O
671
+ ATOM 671 OG SER A 85 -7.510 -3.994 -10.027 1.00 75.43 O
672
+ ATOM 672 C ALA A 86 -7.368 2.345 -7.989 1.00 93.81 C
673
+ ATOM 673 CA ALA A 86 -8.559 1.402 -8.126 1.00 93.77 C
674
+ ATOM 674 CB ALA A 86 -9.511 1.579 -6.946 1.00 92.89 C
675
+ ATOM 675 N ALA A 86 -8.119 0.012 -8.222 1.00 93.90 N
676
+ ATOM 676 O ALA A 86 -7.324 3.397 -8.632 1.00 93.15 O
677
+ ATOM 677 C PHE A 87 -4.260 2.840 -8.071 1.00 93.79 C
678
+ ATOM 678 CA PHE A 87 -5.256 2.839 -6.918 1.00 93.94 C
679
+ ATOM 679 CB PHE A 87 -4.559 2.411 -5.622 1.00 93.19 C
680
+ ATOM 680 CD1 PHE A 87 -6.405 3.650 -4.447 1.00 86.52 C
681
+ ATOM 681 CD2 PHE A 87 -4.848 2.407 -3.125 1.00 86.53 C
682
+ ATOM 682 CE1 PHE A 87 -7.081 4.041 -3.293 1.00 86.64 C
683
+ ATOM 683 CE2 PHE A 87 -5.517 2.794 -1.968 1.00 87.35 C
684
+ ATOM 684 CG PHE A 87 -5.285 2.831 -4.374 1.00 91.07 C
685
+ ATOM 685 CZ PHE A 87 -6.633 3.611 -2.054 1.00 85.93 C
686
+ ATOM 686 N PHE A 87 -6.384 1.961 -7.207 1.00 93.62 N
687
+ ATOM 687 O PHE A 87 -3.242 3.534 -8.019 1.00 92.92 O
688
+ ATOM 688 C GLN A 88 -4.215 3.249 -11.166 1.00 94.13 C
689
+ ATOM 689 CA GLN A 88 -3.752 2.099 -10.276 1.00 94.94 C
690
+ ATOM 690 CB GLN A 88 -3.846 0.776 -11.036 1.00 94.07 C
691
+ ATOM 691 CD GLN A 88 -3.394 -1.715 -11.032 1.00 88.08 C
692
+ ATOM 692 CG GLN A 88 -3.165 -0.389 -10.331 1.00 91.06 C
693
+ ATOM 693 N GLN A 88 -4.533 2.040 -9.045 1.00 94.97 N
694
+ ATOM 694 NE2 GLN A 88 -2.382 -2.576 -11.017 1.00 87.56 N
695
+ ATOM 695 O GLN A 88 -3.531 3.612 -12.126 1.00 92.67 O
696
+ ATOM 696 OE1 GLN A 88 -4.472 -1.964 -11.580 1.00 86.84 O
697
+ ATOM 697 C LYS A 89 -5.390 6.299 -10.874 1.00 93.05 C
698
+ ATOM 698 CA LYS A 89 -5.817 4.995 -11.541 1.00 93.24 C
699
+ ATOM 699 CB LYS A 89 -7.343 4.923 -11.623 1.00 91.74 C
700
+ ATOM 700 CD LYS A 89 -9.389 3.675 -12.391 1.00 80.87 C
701
+ ATOM 701 CE LYS A 89 -9.916 2.417 -13.069 1.00 73.81 C
702
+ ATOM 702 CG LYS A 89 -7.867 3.701 -12.361 1.00 84.41 C
703
+ ATOM 703 N LYS A 89 -5.288 3.839 -10.824 1.00 93.48 N
704
+ ATOM 704 NZ LYS A 89 -11.408 2.368 -13.063 1.00 68.92 N
705
+ ATOM 705 O LYS A 89 -5.130 6.330 -9.669 1.00 92.04 O
706
+ ATOM 706 C PRO A 90 -6.007 9.267 -10.126 1.00 90.18 C
707
+ ATOM 707 CA PRO A 90 -4.925 8.696 -11.039 1.00 90.78 C
708
+ ATOM 708 CB PRO A 90 -4.713 9.594 -12.261 1.00 89.24 C
709
+ ATOM 709 CD PRO A 90 -5.636 7.511 -13.111 1.00 85.87 C
710
+ ATOM 710 CG PRO A 90 -5.570 8.996 -13.330 1.00 86.43 C
711
+ ATOM 711 N PRO A 90 -5.304 7.409 -11.629 1.00 90.51 N
712
+ ATOM 712 O PRO A 90 -7.165 8.849 -10.198 1.00 88.67 O
713
+ ATOM 713 C ASP A 91 -7.313 10.189 -7.449 1.00 87.18 C
714
+ ATOM 714 CA ASP A 91 -6.448 11.036 -8.380 1.00 88.02 C
715
+ ATOM 715 CB ASP A 91 -7.331 11.950 -9.232 1.00 86.14 C
716
+ ATOM 716 CG ASP A 91 -6.532 12.928 -10.077 1.00 83.91 C
717
+ ATOM 717 N ASP A 91 -5.614 10.193 -9.232 1.00 88.26 N
718
+ ATOM 718 O ASP A 91 -8.493 10.485 -7.251 1.00 84.20 O
719
+ ATOM 719 OD1 ASP A 91 -5.502 13.447 -9.597 1.00 81.36 O
720
+ ATOM 720 OD2 ASP A 91 -6.938 13.181 -11.231 1.00 83.62 O
721
+ ATOM 721 C GLN A 92 -6.953 8.521 -4.522 1.00 87.70 C
722
+ ATOM 722 CA GLN A 92 -7.383 8.297 -5.968 1.00 88.70 C
723
+ ATOM 723 CB GLN A 92 -7.161 6.835 -6.362 1.00 87.80 C
724
+ ATOM 724 CD GLN A 92 -9.166 6.707 -7.901 1.00 82.70 C
725
+ ATOM 725 CG GLN A 92 -7.672 6.488 -7.754 1.00 86.23 C
726
+ ATOM 726 N GLN A 92 -6.664 9.186 -6.875 1.00 88.83 N
727
+ ATOM 727 NE2 GLN A 92 -9.557 7.468 -8.918 1.00 82.66 N
728
+ ATOM 728 O GLN A 92 -7.228 7.692 -3.652 1.00 85.03 O
729
+ ATOM 729 OE1 GLN A 92 -9.964 6.196 -7.108 1.00 82.93 O
730
+ ATOM 730 C GLY A 93 -4.667 9.412 -2.376 1.00 89.55 C
731
+ ATOM 731 CA GLY A 93 -6.006 9.955 -2.835 1.00 89.06 C
732
+ ATOM 732 N GLY A 93 -6.340 9.577 -4.199 1.00 88.85 N
733
+ ATOM 733 O GLY A 93 -4.310 9.535 -1.203 1.00 88.32 O
734
+ ATOM 734 C ILE A 94 -1.514 9.127 -3.785 1.00 92.03 C
735
+ ATOM 735 CA ILE A 94 -2.541 8.325 -2.987 1.00 91.97 C
736
+ ATOM 736 CB ILE A 94 -2.370 6.814 -3.261 1.00 90.65 C
737
+ ATOM 737 CD1 ILE A 94 -2.280 5.077 -5.143 1.00 80.16 C
738
+ ATOM 738 CG1 ILE A 94 -2.608 6.510 -4.745 1.00 83.38 C
739
+ ATOM 739 CG2 ILE A 94 -3.315 5.996 -2.376 1.00 82.56 C
740
+ ATOM 740 N ILE A 94 -3.886 8.780 -3.320 1.00 91.73 N
741
+ ATOM 741 O ILE A 94 -1.862 9.800 -4.757 1.00 90.95 O
742
+ ATOM 742 C VAL A 95 1.041 9.760 -5.394 1.00 92.85 C
743
+ ATOM 743 CA VAL A 95 0.783 9.955 -3.901 1.00 93.28 C
744
+ ATOM 744 CB VAL A 95 2.094 9.763 -3.105 1.00 92.24 C
745
+ ATOM 745 CG1 VAL A 95 2.716 8.402 -3.409 1.00 84.74 C
746
+ ATOM 746 CG2 VAL A 95 3.080 10.887 -3.423 1.00 82.82 C
747
+ ATOM 747 N VAL A 95 -0.254 9.032 -3.455 1.00 93.09 N
748
+ ATOM 748 O VAL A 95 1.381 10.712 -6.101 1.00 91.50 O
749
+ ATOM 749 C ILE A 96 0.403 6.996 -7.587 1.00 94.52 C
750
+ ATOM 750 CA ILE A 96 1.167 8.277 -7.264 1.00 94.69 C
751
+ ATOM 751 CB ILE A 96 2.671 8.095 -7.566 1.00 93.97 C
752
+ ATOM 752 CD1 ILE A 96 4.354 8.162 -9.498 1.00 84.38 C
753
+ ATOM 753 CG1 ILE A 96 2.902 7.976 -9.077 1.00 89.22 C
754
+ ATOM 754 CG2 ILE A 96 3.225 6.870 -6.830 1.00 87.85 C
755
+ ATOM 755 N ILE A 96 0.943 8.647 -5.870 1.00 94.22 N
756
+ ATOM 756 O ILE A 96 0.308 6.094 -6.751 1.00 94.01 O
757
+ ATOM 757 C PRO A 97 0.127 4.415 -9.036 1.00 95.50 C
758
+ ATOM 758 CA PRO A 97 -0.816 5.612 -9.133 1.00 95.37 C
759
+ ATOM 759 CB PRO A 97 -1.253 5.846 -10.581 1.00 94.66 C
760
+ ATOM 760 CD PRO A 97 -0.335 7.974 -9.845 1.00 90.64 C
761
+ ATOM 761 CG PRO A 97 -1.384 7.329 -10.707 1.00 92.18 C
762
+ ATOM 762 N PRO A 97 -0.170 6.874 -8.768 1.00 95.11 N
763
+ ATOM 763 O PRO A 97 1.320 4.541 -9.324 1.00 95.26 O
764
+ ATOM 764 C LEU A 98 0.643 1.604 -9.969 1.00 95.42 C
765
+ ATOM 765 CA LEU A 98 0.295 2.069 -8.559 1.00 95.89 C
766
+ ATOM 766 CB LEU A 98 -0.490 0.976 -7.829 1.00 95.51 C
767
+ ATOM 767 CD1 LEU A 98 -1.837 0.185 -5.867 1.00 90.72 C
768
+ ATOM 768 CD2 LEU A 98 0.180 1.632 -5.500 1.00 90.27 C
769
+ ATOM 769 CG LEU A 98 -0.991 1.324 -6.426 1.00 94.00 C
770
+ ATOM 770 N LEU A 98 -0.471 3.310 -8.595 1.00 95.77 N
771
+ ATOM 771 O LEU A 98 -0.244 1.439 -10.809 1.00 94.52 O
772
+ ATOM 772 C GLN A 99 3.154 -0.254 -11.656 1.00 95.67 C
773
+ ATOM 773 CA GLN A 99 2.362 1.049 -11.594 1.00 96.05 C
774
+ ATOM 774 CB GLN A 99 3.195 2.198 -12.165 1.00 94.63 C
775
+ ATOM 775 CD GLN A 99 3.276 4.628 -12.871 1.00 76.46 C
776
+ ATOM 776 CG GLN A 99 2.430 3.508 -12.294 1.00 83.24 C
777
+ ATOM 777 N GLN A 99 1.946 1.348 -10.228 1.00 96.38 N
778
+ ATOM 778 NE2 GLN A 99 2.909 5.867 -12.564 1.00 68.25 N
779
+ ATOM 779 O GLN A 99 2.982 -1.046 -12.584 1.00 94.37 O
780
+ ATOM 780 OE1 GLN A 99 4.253 4.381 -13.586 1.00 74.85 O
781
+ ATOM 781 C TYR A 100 4.832 -2.462 -9.592 1.00 95.73 C
782
+ ATOM 782 CA TYR A 100 4.956 -1.579 -10.828 1.00 95.90 C
783
+ ATOM 783 CB TYR A 100 6.396 -1.073 -10.966 1.00 95.38 C
784
+ ATOM 784 CD1 TYR A 100 6.587 -0.482 -13.415 1.00 89.73 C
785
+ ATOM 785 CD2 TYR A 100 6.761 1.277 -11.807 1.00 89.66 C
786
+ ATOM 786 CE1 TYR A 100 6.762 0.434 -14.447 1.00 88.88 C
787
+ ATOM 787 CE2 TYR A 100 6.936 2.202 -12.831 1.00 88.90 C
788
+ ATOM 788 CG TYR A 100 6.584 -0.076 -12.082 1.00 93.25 C
789
+ ATOM 789 CZ TYR A 100 6.936 1.772 -14.145 1.00 87.82 C
790
+ ATOM 790 N TYR A 100 4.024 -0.460 -10.767 1.00 95.87 N
791
+ ATOM 791 O TYR A 100 5.386 -2.145 -8.537 1.00 95.04 O
792
+ ATOM 792 OH TYR A 100 7.109 2.683 -15.163 1.00 81.96 O
793
+ ATOM 793 C PRO A 101 5.360 -5.140 -8.170 1.00 94.18 C
794
+ ATOM 794 CA PRO A 101 4.031 -4.489 -8.547 1.00 94.52 C
795
+ ATOM 795 CB PRO A 101 3.028 -5.538 -9.034 1.00 93.74 C
796
+ ATOM 796 CD PRO A 101 3.572 -4.188 -10.982 1.00 90.62 C
797
+ ATOM 797 CG PRO A 101 3.194 -5.565 -10.519 1.00 91.80 C
798
+ ATOM 798 N PRO A 101 4.150 -3.581 -9.691 1.00 94.33 N
799
+ ATOM 799 O PRO A 101 6.093 -5.608 -9.044 1.00 93.41 O
800
+ ATOM 800 C VAL A 102 6.306 -7.151 -5.863 1.00 93.57 C
801
+ ATOM 801 CA VAL A 102 6.836 -5.836 -6.430 1.00 94.14 C
802
+ ATOM 802 CB VAL A 102 7.607 -5.057 -5.340 1.00 93.62 C
803
+ ATOM 803 CG1 VAL A 102 8.754 -5.899 -4.784 1.00 90.72 C
804
+ ATOM 804 CG2 VAL A 102 8.130 -3.736 -5.898 1.00 89.95 C
805
+ ATOM 805 N VAL A 102 5.733 -5.050 -6.972 1.00 94.22 N
806
+ ATOM 806 O VAL A 102 5.803 -7.191 -4.737 1.00 92.31 O
807
+ ATOM 807 C GLU A 103 6.607 -10.261 -5.338 1.00 90.87 C
808
+ ATOM 808 CA GLU A 103 5.711 -9.420 -6.242 1.00 91.51 C
809
+ ATOM 809 CB GLU A 103 5.389 -10.189 -7.526 1.00 90.14 C
810
+ ATOM 810 CD GLU A 103 4.053 -10.277 -9.685 1.00 83.91 C
811
+ ATOM 811 CG GLU A 103 4.374 -9.494 -8.422 1.00 86.06 C
812
+ ATOM 812 N GLU A 103 6.333 -8.137 -6.556 1.00 91.63 N
813
+ ATOM 813 O GLU A 103 7.834 -10.196 -5.435 1.00 89.35 O
814
+ ATOM 814 OE1 GLU A 103 4.647 -11.358 -9.896 1.00 81.05 O
815
+ ATOM 815 OE2 GLU A 103 3.202 -9.804 -10.470 1.00 80.16 O
816
+ ATOM 816 C LYS A 104 7.147 -13.008 -4.415 1.00 86.28 C
817
+ ATOM 817 CA LYS A 104 6.614 -11.848 -3.581 1.00 88.64 C
818
+ ATOM 818 CB LYS A 104 5.716 -12.376 -2.461 1.00 86.77 C
819
+ ATOM 819 CD LYS A 104 5.500 -13.736 -0.354 1.00 79.45 C
820
+ ATOM 820 CE LYS A 104 6.205 -14.682 0.610 1.00 73.94 C
821
+ ATOM 821 CG LYS A 104 6.447 -13.231 -1.434 1.00 81.58 C
822
+ ATOM 822 N LYS A 104 5.886 -10.893 -4.412 1.00 90.07 N
823
+ ATOM 823 NZ LYS A 104 5.270 -15.215 1.646 1.00 67.69 N
824
+ ATOM 824 O LYS A 104 6.437 -13.547 -5.266 1.00 81.28 O
825
+ ATOM 825 C LYS A 105 8.700 -15.572 -4.517 1.00 75.21 C
826
+ ATOM 826 CA LYS A 105 9.020 -14.260 -5.227 1.00 75.77 C
827
+ ATOM 827 CB LYS A 105 10.534 -14.090 -5.356 1.00 72.04 C
828
+ ATOM 828 CD LYS A 105 12.467 -12.855 -6.394 1.00 65.18 C
829
+ ATOM 829 CE LYS A 105 12.890 -11.659 -7.235 1.00 57.45 C
830
+ ATOM 830 CG LYS A 105 10.953 -12.920 -6.233 1.00 66.99 C
831
+ ATOM 831 N LYS A 105 8.434 -13.124 -4.522 1.00 78.55 N
832
+ ATOM 832 NZ LYS A 105 14.373 -11.589 -7.393 1.00 50.85 N
833
+ ATOM 833 O LYS A 105 8.812 -15.665 -3.292 1.00 69.40 O
834
+ ATOM 834 C SER A 106 8.832 -18.437 -4.378 1.00 56.37 C
835
+ ATOM 835 CA SER A 106 7.550 -17.647 -4.607 1.00 56.96 C
836
+ ATOM 836 CB SER A 106 6.648 -18.396 -5.589 1.00 49.50 C
837
+ ATOM 837 N SER A 106 7.837 -16.304 -5.101 1.00 56.91 N
838
+ ATOM 838 O SER A 106 9.751 -18.394 -5.199 1.00 53.42 O
839
+ ATOM 839 OG SER A 106 5.639 -17.541 -6.100 1.00 44.34 O
840
+ ATOM 840 C SER A 107 9.966 -20.740 -3.305 1.00 40.67 C
841
+ ATOM 841 CA SER A 107 10.427 -19.338 -2.918 1.00 44.04 C
842
+ ATOM 842 CB SER A 107 10.857 -19.321 -1.450 1.00 37.65 C
843
+ ATOM 843 N SER A 107 9.379 -18.351 -3.155 1.00 40.63 N
844
+ ATOM 844 O SER A 107 8.776 -21.049 -3.229 1.00 39.47 O
845
+ ATOM 845 OG SER A 107 9.777 -18.944 -0.614 1.00 32.09 O
846
+ TER 846 SER A 107
847
+ END
1ka7/1ka7_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1lcj/1lcj_ligand.mol2 ADDED
@@ -0,0 +1,403 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:45 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 1lcj_ligand
7
+ 192 195 1 0 0
8
+ SMALL
9
+ GAST_HUCK
10
+
11
+
12
+ @<TRIPOS>ATOM
13
+ 1 N 31.9300 50.7070 -8.7010 N.4 1 GLU 0.2380
14
+ 2 CA 31.9180 50.2280 -10.1210 C.3 1 GLU 0.0667
15
+ 3 C 32.9400 49.0790 -10.3710 C.2 1 GLU 0.2293
16
+ 4 O 32.5500 48.0180 -10.8660 O.2 1 GLU -0.3905
17
+ 5 CB 32.1260 51.4130 -11.1100 C.3 1 GLU 0.0194
18
+ 6 CG 31.6930 51.1260 -12.5890 C.3 1 GLU 0.0075
19
+ 7 CD 31.8130 52.3430 -13.5580 C.2 1 GLU 0.0351
20
+ 8 OE1 32.9240 52.9420 -13.6640 O.co2 1 GLU -0.5690
21
+ 9 OE2 30.8130 52.6340 -14.2870 O.co2 1 GLU -0.5690
22
+ 10 N 34.1890 49.2050 -9.8540 N.am 1 PRO -0.2471
23
+ 11 CA 35.1550 48.0970 -9.9120 C.3 1 PRO 0.1339
24
+ 12 C 34.8340 46.9940 -8.9090 C.2 1 PRO 0.2041
25
+ 13 O 34.4360 47.2970 -7.7880 O.2 1 PRO -0.3944
26
+ 14 CB 36.4740 48.7640 -9.5640 C.3 1 PRO -0.0104
27
+ 15 CG 36.0780 49.8250 -8.5980 C.3 1 PRO -0.0281
28
+ 16 CD 34.7910 50.3920 -9.2080 C.3 1 PRO 0.0371
29
+ 17 N 34.9700 45.7350 -9.3350 N.am 1 GLN -0.2636
30
+ 18 CA 34.6710 44.5590 -8.5070 C.3 1 GLN 0.1330
31
+ 19 C 35.4760 44.3520 -7.2210 C.2 1 GLN 0.2042
32
+ 20 O 36.7060 44.1940 -7.2500 O.2 1 GLN -0.3944
33
+ 21 CB 34.7640 43.2800 -9.3610 C.3 1 GLN 0.0045
34
+ 22 CG 34.4670 41.9560 -8.6160 C.3 1 GLN 0.0412
35
+ 23 CD 33.1080 41.3120 -8.9650 C.2 1 GLN 0.1737
36
+ 24 OE1 32.6990 41.2720 -10.1330 O.2 1 GLN -0.3973
37
+ 25 NE2 32.4530 40.7180 -7.9530 N.am 1 GLN -0.3009
38
+ 26 N 34.7490 44.2760 -6.1050 N.am 1 PTR -0.2621
39
+ 27 CA 35.3120 43.8430 -4.8180 C.3 1 PTR 0.1390
40
+ 28 C 34.7510 42.5050 -4.2970 C.2 1 PTR 0.2057
41
+ 29 O 33.5550 42.2100 -4.4260 O.2 1 PTR -0.3942
42
+ 30 CB 35.1070 44.9140 -3.7520 C.3 1 PTR 0.0163
43
+ 31 CG 35.9560 46.1560 -3.9540 C.ar 1 PTR -0.0493
44
+ 32 CD1 37.2150 46.2630 -3.3770 C.ar 1 PTR -0.0685
45
+ 33 CD2 35.4530 47.2580 -4.6350 C.ar 1 PTR -0.0685
46
+ 34 CE1 37.9420 47.4180 -3.4690 C.ar 1 PTR -0.0398
47
+ 35 CE2 36.1690 48.4350 -4.7130 C.ar 1 PTR -0.0398
48
+ 36 CZ 37.4160 48.5130 -4.1300 C.ar 1 PTR 0.0805
49
+ 37 OH 38.1040 49.7160 -4.1510 O.3 1 PTR -0.3376
50
+ 38 N 35.6040 41.7190 -3.6510 N.am 1 GLU -0.2635
51
+ 39 CA 35.1270 40.5280 -2.9340 C.3 1 GLU 0.1325
52
+ 40 C 34.5090 40.8270 -1.5540 C.2 1 GLU 0.2040
53
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1
+ REMARK 1 CREATED WITH OPENMM 8.0, 2023-02-20
2
+ ATOM 1 N GLU A 1 58.305 54.340 10.671 1.00 0.00 N
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+ ATOM 39 CD1 TRP A 5 52.298 44.966 6.480 1.00 0.00 C
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+ ATOM 40 CD2 TRP A 5 50.595 46.353 6.044 1.00 0.00 C
42
+ ATOM 41 CE2 TRP A 5 50.826 46.346 7.437 1.00 0.00 C
43
+ ATOM 42 CE3 TRP A 5 49.568 47.156 5.531 1.00 0.00 C
44
+ ATOM 43 NE1 TRP A 5 51.869 45.493 7.677 1.00 0.00 N
45
+ ATOM 44 CH2 TRP A 5 49.068 47.888 7.796 1.00 0.00 C
46
+ ATOM 45 CZ2 TRP A 5 50.066 47.112 8.324 1.00 0.00 C
47
+ ATOM 46 CZ3 TRP A 5 48.813 47.917 6.415 1.00 0.00 C
48
+ ATOM 47 N PHE A 6 51.783 48.537 3.285 1.00 0.00 N
49
+ ATOM 48 CA PHE A 6 50.899 49.661 2.998 1.00 0.00 C
50
+ ATOM 49 C PHE A 6 51.454 50.513 1.863 1.00 0.00 C
51
+ ATOM 50 CB PHE A 6 50.700 50.523 4.250 1.00 0.00 C
52
+ ATOM 51 O PHE A 6 52.598 50.970 1.924 1.00 0.00 O
53
+ ATOM 52 CG PHE A 6 49.691 51.625 4.074 1.00 0.00 C
54
+ ATOM 53 CD1 PHE A 6 48.329 51.352 4.109 1.00 0.00 C
55
+ ATOM 54 CD2 PHE A 6 50.105 52.935 3.874 1.00 0.00 C
56
+ ATOM 55 CE1 PHE A 6 47.392 52.370 3.945 1.00 0.00 C
57
+ ATOM 56 CE2 PHE A 6 49.175 53.959 3.711 1.00 0.00 C
58
+ ATOM 57 CZ PHE A 6 47.820 53.674 3.746 1.00 0.00 C
59
+ ATOM 58 N PHE A 7 50.820 50.651 0.863 1.00 0.00 N
60
+ ATOM 59 CA PHE A 7 51.172 51.452 -0.304 1.00 0.00 C
61
+ ATOM 60 C PHE A 7 50.214 52.625 -0.464 1.00 0.00 C
62
+ ATOM 61 CB PHE A 7 51.164 50.590 -1.570 1.00 0.00 C
63
+ ATOM 62 O PHE A 7 49.026 52.432 -0.730 1.00 0.00 O
64
+ ATOM 63 CG PHE A 7 52.214 49.512 -1.579 1.00 0.00 C
65
+ ATOM 64 CD1 PHE A 7 53.339 49.624 -2.386 1.00 0.00 C
66
+ ATOM 65 CD2 PHE A 7 52.076 48.386 -0.778 1.00 0.00 C
67
+ ATOM 66 CE1 PHE A 7 54.312 48.628 -2.395 1.00 0.00 C
68
+ ATOM 67 CE2 PHE A 7 53.044 47.386 -0.782 1.00 0.00 C
69
+ ATOM 68 CZ PHE A 7 54.161 47.509 -1.592 1.00 0.00 C
70
+ ATOM 69 N LYS A 8 50.777 53.781 -0.274 1.00 0.00 N
71
+ ATOM 70 CA LYS A 8 50.033 55.021 -0.471 1.00 0.00 C
72
+ ATOM 71 C LYS A 8 49.884 55.342 -1.956 1.00 0.00 C
73
+ ATOM 72 CB LYS A 8 50.722 56.181 0.248 1.00 0.00 C
74
+ ATOM 73 O LYS A 8 50.811 55.128 -2.740 1.00 0.00 O
75
+ ATOM 74 CG LYS A 8 49.829 57.396 0.459 1.00 0.00 C
76
+ ATOM 75 CD LYS A 8 50.527 58.463 1.294 1.00 0.00 C
77
+ ATOM 76 CE LYS A 8 49.626 59.668 1.526 1.00 0.00 C
78
+ ATOM 77 NZ LYS A 8 50.289 60.700 2.378 1.00 0.00 N
79
+ ATOM 78 N ASN A 9 48.730 55.428 -2.529 1.00 0.00 N
80
+ ATOM 79 CA ASN A 9 48.361 55.879 -3.868 1.00 0.00 C
81
+ ATOM 80 C ASN A 9 48.639 54.806 -4.916 1.00 0.00 C
82
+ ATOM 81 CB ASN A 9 49.100 57.171 -4.221 1.00 0.00 C
83
+ ATOM 82 O ASN A 9 49.395 55.038 -5.862 1.00 0.00 O
84
+ ATOM 83 CG ASN A 9 48.724 58.325 -3.311 1.00 0.00 C
85
+ ATOM 84 ND2 ASN A 9 49.714 59.123 -2.927 1.00 0.00 N
86
+ ATOM 85 OD1 ASN A 9 47.555 58.498 -2.958 1.00 0.00 O
87
+ ATOM 86 N LEU A 10 48.348 53.701 -4.682 1.00 0.00 N
88
+ ATOM 87 CA LEU A 10 48.440 52.588 -5.622 1.00 0.00 C
89
+ ATOM 88 C LEU A 10 47.061 52.207 -6.150 1.00 0.00 C
90
+ ATOM 89 CB LEU A 10 49.097 51.377 -4.954 1.00 0.00 C
91
+ ATOM 90 O LEU A 10 46.148 51.928 -5.371 1.00 0.00 O
92
+ ATOM 91 CG LEU A 10 49.539 50.246 -5.884 1.00 0.00 C
93
+ ATOM 92 CD1 LEU A 10 50.726 50.691 -6.731 1.00 0.00 C
94
+ ATOM 93 CD2 LEU A 10 49.886 48.997 -5.082 1.00 0.00 C
95
+ ATOM 94 N SER A 11 46.880 52.261 -7.488 1.00 0.00 N
96
+ ATOM 95 CA SER A 11 45.615 51.876 -8.105 1.00 0.00 C
97
+ ATOM 96 C SER A 11 45.404 50.368 -8.041 1.00 0.00 C
98
+ ATOM 97 CB SER A 11 45.564 52.345 -9.560 1.00 0.00 C
99
+ ATOM 98 O SER A 11 46.352 49.613 -7.815 1.00 0.00 O
100
+ ATOM 99 OG SER A 11 46.440 51.579 -10.366 1.00 0.00 O
101
+ ATOM 100 N ARG A 12 44.154 50.000 -8.177 1.00 0.00 N
102
+ ATOM 101 CA ARG A 12 43.800 48.585 -8.237 1.00 0.00 C
103
+ ATOM 102 C ARG A 12 44.614 47.862 -9.305 1.00 0.00 C
104
+ ATOM 103 CB ARG A 12 42.305 48.416 -8.513 1.00 0.00 C
105
+ ATOM 104 O ARG A 12 45.142 46.775 -9.061 1.00 0.00 O
106
+ ATOM 105 CG ARG A 12 41.852 46.967 -8.583 1.00 0.00 C
107
+ ATOM 106 CD ARG A 12 40.375 46.853 -8.935 1.00 0.00 C
108
+ ATOM 107 NE ARG A 12 39.967 45.462 -9.105 1.00 0.00 N
109
+ ATOM 108 NH1 ARG A 12 38.957 45.289 -7.034 1.00 0.00 N
110
+ ATOM 109 NH2 ARG A 12 38.980 43.491 -8.456 1.00 0.00 N
111
+ ATOM 110 CZ ARG A 12 39.302 44.751 -8.198 1.00 0.00 C
112
+ ATOM 111 N LYS A 13 44.717 48.426 -10.481 1.00 0.00 N
113
+ ATOM 112 CA LYS A 13 45.440 47.832 -11.602 1.00 0.00 C
114
+ ATOM 113 C LYS A 13 46.926 47.695 -11.288 1.00 0.00 C
115
+ ATOM 114 CB LYS A 13 45.247 48.669 -12.867 1.00 0.00 C
116
+ ATOM 115 O LYS A 13 47.545 46.679 -11.616 1.00 0.00 O
117
+ ATOM 116 CG LYS A 13 45.777 48.010 -14.132 1.00 0.00 C
118
+ ATOM 117 CD LYS A 13 45.542 48.883 -15.358 1.00 0.00 C
119
+ ATOM 118 CE LYS A 13 46.203 48.296 -16.599 1.00 0.00 C
120
+ ATOM 119 NZ LYS A 13 45.999 49.163 -17.798 1.00 0.00 N
121
+ ATOM 120 N ASP A 14 47.522 48.709 -10.689 1.00 0.00 N
122
+ ATOM 121 CA ASP A 14 48.933 48.652 -10.318 1.00 0.00 C
123
+ ATOM 122 C ASP A 14 49.173 47.608 -9.229 1.00 0.00 C
124
+ ATOM 123 CB ASP A 14 49.421 50.024 -9.848 1.00 0.00 C
125
+ ATOM 124 O ASP A 14 50.208 46.939 -9.220 1.00 0.00 O
126
+ ATOM 125 CG ASP A 14 49.581 51.018 -10.985 1.00 0.00 C
127
+ ATOM 126 OD1 ASP A 14 49.764 50.592 -12.146 1.00 0.00 O
128
+ ATOM 127 OD2 ASP A 14 49.526 52.238 -10.716 1.00 0.00 O
129
+ ATOM 128 N ALA A 15 48.169 47.573 -8.306 1.00 0.00 N
130
+ ATOM 129 CA ALA A 15 48.280 46.535 -7.285 1.00 0.00 C
131
+ ATOM 130 C ALA A 15 48.326 45.147 -7.916 1.00 0.00 C
132
+ ATOM 131 CB ALA A 15 47.118 46.631 -6.300 1.00 0.00 C
133
+ ATOM 132 O ALA A 15 49.134 44.304 -7.521 1.00 0.00 O
134
+ ATOM 133 N GLU A 16 47.503 44.869 -8.880 1.00 0.00 N
135
+ ATOM 134 CA GLU A 16 47.481 43.576 -9.558 1.00 0.00 C
136
+ ATOM 135 C GLU A 16 48.804 43.301 -10.265 1.00 0.00 C
137
+ ATOM 136 CB GLU A 16 46.325 43.514 -10.560 1.00 0.00 C
138
+ ATOM 137 O GLU A 16 49.348 42.199 -10.168 1.00 0.00 O
139
+ ATOM 138 CG GLU A 16 44.954 43.388 -9.911 1.00 0.00 C
140
+ ATOM 139 CD GLU A 16 43.812 43.408 -10.915 1.00 0.00 C
141
+ ATOM 140 OE1 GLU A 16 44.077 43.467 -12.136 1.00 0.00 O
142
+ ATOM 141 OE2 GLU A 16 42.641 43.366 -10.475 1.00 0.00 O
143
+ ATOM 142 N ARG A 17 49.322 44.277 -10.973 1.00 0.00 N
144
+ ATOM 143 CA ARG A 17 50.583 44.120 -11.692 1.00 0.00 C
145
+ ATOM 144 C ARG A 17 51.718 43.764 -10.736 1.00 0.00 C
146
+ ATOM 145 CB ARG A 17 50.927 45.398 -12.460 1.00 0.00 C
147
+ ATOM 146 O ARG A 17 52.524 42.877 -11.025 1.00 0.00 O
148
+ ATOM 147 CG ARG A 17 50.103 45.599 -13.721 1.00 0.00 C
149
+ ATOM 148 CD ARG A 17 50.683 46.693 -14.606 1.00 0.00 C
150
+ ATOM 149 NE ARG A 17 50.741 47.976 -13.910 1.00 0.00 N
151
+ ATOM 150 NH1 ARG A 17 49.149 49.000 -15.234 1.00 0.00 N
152
+ ATOM 151 NH2 ARG A 17 50.143 50.159 -13.524 1.00 0.00 N
153
+ ATOM 152 CZ ARG A 17 50.011 49.042 -14.224 1.00 0.00 C
154
+ ATOM 153 N GLN A 18 51.758 44.454 -9.634 1.00 0.00 N
155
+ ATOM 154 CA GLN A 18 52.840 44.219 -8.684 1.00 0.00 C
156
+ ATOM 155 C GLN A 18 52.713 42.844 -8.035 1.00 0.00 C
157
+ ATOM 156 CB GLN A 18 52.857 45.306 -7.609 1.00 0.00 C
158
+ ATOM 157 O GLN A 18 53.705 42.124 -7.895 1.00 0.00 O
159
+ ATOM 158 CG GLN A 18 53.322 46.665 -8.116 1.00 0.00 C
160
+ ATOM 159 CD GLN A 18 53.439 47.697 -7.009 1.00 0.00 C
161
+ ATOM 160 NE2 GLN A 18 53.330 48.970 -7.371 1.00 0.00 N
162
+ ATOM 161 OE1 GLN A 18 53.624 47.350 -5.837 1.00 0.00 O
163
+ ATOM 162 N LEU A 19 51.501 42.486 -7.634 1.00 0.00 N
164
+ ATOM 163 CA LEU A 19 51.304 41.236 -6.909 1.00 0.00 C
165
+ ATOM 164 C LEU A 19 51.489 40.037 -7.831 1.00 0.00 C
166
+ ATOM 165 CB LEU A 19 49.910 41.198 -6.276 1.00 0.00 C
167
+ ATOM 166 O LEU A 19 51.798 38.936 -7.370 1.00 0.00 O
168
+ ATOM 167 CG LEU A 19 49.746 41.946 -4.952 1.00 0.00 C
169
+ ATOM 168 CD1 LEU A 19 48.267 42.134 -4.629 1.00 0.00 C
170
+ ATOM 169 CD2 LEU A 19 50.453 41.200 -3.825 1.00 0.00 C
171
+ ATOM 170 N LEU A 20 51.337 40.221 -9.154 1.00 0.00 N
172
+ ATOM 171 CA LEU A 20 51.492 39.119 -10.096 1.00 0.00 C
173
+ ATOM 172 C LEU A 20 52.918 39.059 -10.634 1.00 0.00 C
174
+ ATOM 173 CB LEU A 20 50.503 39.260 -11.256 1.00 0.00 C
175
+ ATOM 174 O LEU A 20 53.271 38.133 -11.367 1.00 0.00 O
176
+ ATOM 175 CG LEU A 20 49.024 39.068 -10.913 1.00 0.00 C
177
+ ATOM 176 CD1 LEU A 20 48.153 39.393 -12.121 1.00 0.00 C
178
+ ATOM 177 CD2 LEU A 20 48.769 37.644 -10.429 1.00 0.00 C
179
+ ATOM 178 N ALA A 21 53.755 40.063 -10.374 1.00 0.00 N
180
+ ATOM 179 CA ALA A 21 55.150 40.085 -10.804 1.00 0.00 C
181
+ ATOM 180 C ALA A 21 55.947 38.968 -10.133 1.00 0.00 C
182
+ ATOM 181 CB ALA A 21 55.780 41.441 -10.499 1.00 0.00 C
183
+ ATOM 182 O ALA A 21 55.557 38.467 -9.076 1.00 0.00 O
184
+ ATOM 183 N PRO A 22 57.083 38.646 -10.811 1.00 0.00 N
185
+ ATOM 184 CA PRO A 22 57.997 37.677 -10.202 1.00 0.00 C
186
+ ATOM 185 C PRO A 22 58.552 38.151 -8.860 1.00 0.00 C
187
+ ATOM 186 CB PRO A 22 59.114 37.545 -11.240 1.00 0.00 C
188
+ ATOM 187 O PRO A 22 58.799 39.346 -8.679 1.00 0.00 O
189
+ ATOM 188 CG PRO A 22 58.507 38.024 -12.518 1.00 0.00 C
190
+ ATOM 189 CD PRO A 22 57.478 39.070 -12.195 1.00 0.00 C
191
+ ATOM 190 N GLY A 23 58.372 37.446 -7.779 1.00 0.00 N
192
+ ATOM 191 CA GLY A 23 58.798 37.693 -6.410 1.00 0.00 C
193
+ ATOM 192 C GLY A 23 57.669 37.578 -5.404 1.00 0.00 C
194
+ ATOM 193 O GLY A 23 57.910 37.520 -4.196 1.00 0.00 O
195
+ ATOM 194 N ASN A 24 56.514 37.639 -5.970 1.00 0.00 N
196
+ ATOM 195 CA ASN A 24 55.356 37.444 -5.105 1.00 0.00 C
197
+ ATOM 196 C ASN A 24 54.731 36.066 -5.307 1.00 0.00 C
198
+ ATOM 197 CB ASN A 24 54.316 38.540 -5.346 1.00 0.00 C
199
+ ATOM 198 O ASN A 24 54.812 35.496 -6.397 1.00 0.00 O
200
+ ATOM 199 CG ASN A 24 54.805 39.913 -4.928 1.00 0.00 C
201
+ ATOM 200 ND2 ASN A 24 55.171 40.735 -5.904 1.00 0.00 N
202
+ ATOM 201 OD1 ASN A 24 54.855 40.231 -3.737 1.00 0.00 O
203
+ ATOM 202 N THR A 25 54.298 35.485 -4.211 1.00 0.00 N
204
+ ATOM 203 CA THR A 25 53.664 34.172 -4.226 1.00 0.00 C
205
+ ATOM 204 C THR A 25 52.252 34.247 -3.652 1.00 0.00 C
206
+ ATOM 205 CB THR A 25 54.490 33.144 -3.432 1.00 0.00 C
207
+ ATOM 206 O THR A 25 51.785 35.324 -3.275 1.00 0.00 O
208
+ ATOM 207 CG2 THR A 25 55.909 33.036 -3.980 1.00 0.00 C
209
+ ATOM 208 OG1 THR A 25 54.549 33.547 -2.057 1.00 0.00 O
210
+ ATOM 209 N HIS A 26 51.674 33.059 -3.706 1.00 0.00 N
211
+ ATOM 210 CA HIS A 26 50.377 32.903 -3.058 1.00 0.00 C
212
+ ATOM 211 C HIS A 26 50.397 33.469 -1.641 1.00 0.00 C
213
+ ATOM 212 CB HIS A 26 49.966 31.430 -3.028 1.00 0.00 C
214
+ ATOM 213 O HIS A 26 51.282 33.137 -0.849 1.00 0.00 O
215
+ ATOM 214 CG HIS A 26 48.613 31.196 -2.434 1.00 0.00 C
216
+ ATOM 215 CD2 HIS A 26 48.244 30.775 -1.202 1.00 0.00 C
217
+ ATOM 216 ND1 HIS A 26 47.446 31.398 -3.139 1.00 0.00 N
218
+ ATOM 217 CE1 HIS A 26 46.415 31.111 -2.363 1.00 0.00 C
219
+ ATOM 218 NE2 HIS A 26 46.872 30.730 -1.182 1.00 0.00 N
220
+ ATOM 219 N GLY A 27 49.472 34.427 -1.368 1.00 0.00 N
221
+ ATOM 220 CA GLY A 27 49.375 35.011 -0.041 1.00 0.00 C
222
+ ATOM 221 C GLY A 27 50.075 36.352 0.075 1.00 0.00 C
223
+ ATOM 222 O GLY A 27 49.959 37.033 1.096 1.00 0.00 O
224
+ ATOM 223 N SER A 28 50.904 36.694 -0.923 1.00 0.00 N
225
+ ATOM 224 CA SER A 28 51.458 38.045 -0.933 1.00 0.00 C
226
+ ATOM 225 C SER A 28 50.354 39.095 -0.991 1.00 0.00 C
227
+ ATOM 226 CB SER A 28 52.409 38.225 -2.116 1.00 0.00 C
228
+ ATOM 227 O SER A 28 49.391 38.950 -1.748 1.00 0.00 O
229
+ ATOM 228 OG SER A 28 53.516 37.346 -2.012 1.00 0.00 O
230
+ ATOM 229 N PHE A 29 50.527 40.152 -0.207 1.00 0.00 N
231
+ ATOM 230 CA PHE A 29 49.402 41.072 -0.083 1.00 0.00 C
232
+ ATOM 231 C PHE A 29 49.891 42.507 0.069 1.00 0.00 C
233
+ ATOM 232 CB PHE A 29 48.521 40.688 1.109 1.00 0.00 C
234
+ ATOM 233 O PHE A 29 51.063 42.740 0.372 1.00 0.00 O
235
+ ATOM 234 CG PHE A 29 49.179 40.906 2.445 1.00 0.00 C
236
+ ATOM 235 CD1 PHE A 29 50.017 39.940 2.988 1.00 0.00 C
237
+ ATOM 236 CD2 PHE A 29 48.959 42.077 3.159 1.00 0.00 C
238
+ ATOM 237 CE1 PHE A 29 50.628 40.138 4.224 1.00 0.00 C
239
+ ATOM 238 CE2 PHE A 29 49.566 42.282 4.395 1.00 0.00 C
240
+ ATOM 239 CZ PHE A 29 50.400 41.311 4.926 1.00 0.00 C
241
+ ATOM 240 N LEU A 30 49.085 43.447 -0.075 1.00 0.00 N
242
+ ATOM 241 CA LEU A 30 49.290 44.854 0.252 1.00 0.00 C
243
+ ATOM 242 C LEU A 30 47.965 45.535 0.579 1.00 0.00 C
244
+ ATOM 243 CB LEU A 30 49.976 45.579 -0.910 1.00 0.00 C
245
+ ATOM 244 O LEU A 30 46.899 45.036 0.214 1.00 0.00 O
246
+ ATOM 245 CG LEU A 30 49.255 45.534 -2.258 1.00 0.00 C
247
+ ATOM 246 CD1 LEU A 30 48.118 46.550 -2.286 1.00 0.00 C
248
+ ATOM 247 CD2 LEU A 30 50.235 45.787 -3.398 1.00 0.00 C
249
+ ATOM 248 N ILE A 31 47.979 46.531 1.303 1.00 0.00 N
250
+ ATOM 249 CA ILE A 31 46.852 47.403 1.615 1.00 0.00 C
251
+ ATOM 250 C ILE A 31 47.063 48.770 0.966 1.00 0.00 C
252
+ ATOM 251 CB ILE A 31 46.663 47.557 3.140 1.00 0.00 C
253
+ ATOM 252 O ILE A 31 48.157 49.334 1.033 1.00 0.00 O
254
+ ATOM 253 CG1 ILE A 31 46.244 46.222 3.764 1.00 0.00 C
255
+ ATOM 254 CG2 ILE A 31 45.636 48.652 3.449 1.00 0.00 C
256
+ ATOM 255 CD1 ILE A 31 46.084 46.267 5.278 1.00 0.00 C
257
+ ATOM 256 N ARG A 32 46.072 49.244 0.346 1.00 0.00 N
258
+ ATOM 257 CA ARG A 32 46.133 50.511 -0.375 1.00 0.00 C
259
+ ATOM 258 C ARG A 32 44.920 51.380 -0.057 1.00 0.00 C
260
+ ATOM 259 CB ARG A 32 46.222 50.268 -1.883 1.00 0.00 C
261
+ ATOM 260 O ARG A 32 43.927 50.894 0.487 1.00 0.00 O
262
+ ATOM 261 CG ARG A 32 45.104 49.399 -2.435 1.00 0.00 C
263
+ ATOM 262 CD ARG A 32 45.345 49.027 -3.891 1.00 0.00 C
264
+ ATOM 263 NE ARG A 32 44.253 48.221 -4.429 1.00 0.00 N
265
+ ATOM 264 NH1 ARG A 32 42.759 49.976 -4.584 1.00 0.00 N
266
+ ATOM 265 NH2 ARG A 32 42.129 47.868 -5.229 1.00 0.00 N
267
+ ATOM 266 CZ ARG A 32 43.050 48.690 -4.746 1.00 0.00 C
268
+ ATOM 267 N GLU A 33 45.003 52.622 -0.394 1.00 0.00 N
269
+ ATOM 268 CA GLU A 33 43.831 53.489 -0.319 1.00 0.00 C
270
+ ATOM 269 C GLU A 33 42.804 53.122 -1.386 1.00 0.00 C
271
+ ATOM 270 CB GLU A 33 44.238 54.957 -0.464 1.00 0.00 C
272
+ ATOM 271 O GLU A 33 43.167 52.785 -2.515 1.00 0.00 O
273
+ ATOM 272 CG GLU A 33 45.016 55.500 0.726 1.00 0.00 C
274
+ ATOM 273 CD GLU A 33 45.402 56.963 0.573 1.00 0.00 C
275
+ ATOM 274 OE1 GLU A 33 45.177 57.540 -0.514 1.00 0.00 O
276
+ ATOM 275 OE2 GLU A 33 45.933 57.537 1.550 1.00 0.00 O
277
+ ATOM 276 N SER A 34 41.617 53.075 -0.958 1.00 0.00 N
278
+ ATOM 277 CA SER A 34 40.554 52.772 -1.912 1.00 0.00 C
279
+ ATOM 278 C SER A 34 40.366 53.911 -2.909 1.00 0.00 C
280
+ ATOM 279 CB SER A 34 39.239 52.500 -1.181 1.00 0.00 C
281
+ ATOM 280 O SER A 34 40.365 55.083 -2.528 1.00 0.00 O
282
+ ATOM 281 OG SER A 34 38.182 52.306 -2.105 1.00 0.00 O
283
+ ATOM 282 N GLU A 35 40.193 53.545 -4.151 1.00 0.00 N
284
+ ATOM 283 CA GLU A 35 39.918 54.563 -5.161 1.00 0.00 C
285
+ ATOM 284 C GLU A 35 38.435 54.922 -5.195 1.00 0.00 C
286
+ ATOM 285 CB GLU A 35 40.376 54.088 -6.542 1.00 0.00 C
287
+ ATOM 286 O GLU A 35 38.068 56.028 -5.594 1.00 0.00 O
288
+ ATOM 287 CG GLU A 35 41.882 53.893 -6.657 1.00 0.00 C
289
+ ATOM 288 CD GLU A 35 42.318 53.384 -8.023 1.00 0.00 C
290
+ ATOM 289 OE1 GLU A 35 42.034 52.210 -8.351 1.00 0.00 O
291
+ ATOM 290 OE2 GLU A 35 42.949 54.165 -8.769 1.00 0.00 O
292
+ ATOM 291 N SER A 36 37.632 54.068 -4.737 1.00 0.00 N
293
+ ATOM 292 CA SER A 36 36.195 54.255 -4.914 1.00 0.00 C
294
+ ATOM 293 C SER A 36 35.577 54.959 -3.711 1.00 0.00 C
295
+ ATOM 294 CB SER A 36 35.503 52.910 -5.141 1.00 0.00 C
296
+ ATOM 295 O SER A 36 34.536 55.607 -3.832 1.00 0.00 O
297
+ ATOM 296 OG SER A 36 35.646 52.074 -4.006 1.00 0.00 O
298
+ ATOM 297 N THR A 37 36.210 54.726 -2.594 1.00 0.00 N
299
+ ATOM 298 CA THR A 37 35.679 55.278 -1.353 1.00 0.00 C
300
+ ATOM 299 C THR A 37 36.752 56.068 -0.610 1.00 0.00 C
301
+ ATOM 300 CB THR A 37 35.128 54.168 -0.438 1.00 0.00 C
302
+ ATOM 301 O THR A 37 37.741 55.496 -0.146 1.00 0.00 O
303
+ ATOM 302 CG2 THR A 37 34.364 54.758 0.742 1.00 0.00 C
304
+ ATOM 303 OG1 THR A 37 34.245 53.330 -1.193 1.00 0.00 O
305
+ ATOM 304 N ALA A 38 36.576 57.329 -0.540 1.00 0.00 N
306
+ ATOM 305 CA ALA A 38 37.525 58.204 0.144 1.00 0.00 C
307
+ ATOM 306 C ALA A 38 37.654 57.828 1.618 1.00 0.00 C
308
+ ATOM 307 CB ALA A 38 37.098 59.663 0.006 1.00 0.00 C
309
+ ATOM 308 O ALA A 38 36.650 57.590 2.294 1.00 0.00 O
310
+ ATOM 309 N GLY A 39 38.848 57.727 1.994 1.00 0.00 N
311
+ ATOM 310 CA GLY A 39 39.118 57.479 3.401 1.00 0.00 C
312
+ ATOM 311 C GLY A 39 39.111 56.005 3.759 1.00 0.00 C
313
+ ATOM 312 O GLY A 39 39.341 55.641 4.915 1.00 0.00 O
314
+ ATOM 313 N SER A 40 38.717 55.157 2.804 1.00 0.00 N
315
+ ATOM 314 CA SER A 40 38.712 53.716 3.035 1.00 0.00 C
316
+ ATOM 315 C SER A 40 39.935 53.053 2.412 1.00 0.00 C
317
+ ATOM 316 CB SER A 40 37.438 53.087 2.471 1.00 0.00 C
318
+ ATOM 317 O SER A 40 40.704 53.700 1.698 1.00 0.00 O
319
+ ATOM 318 OG SER A 40 37.473 53.063 1.054 1.00 0.00 O
320
+ ATOM 319 N PHE A 41 40.165 51.845 2.710 1.00 0.00 N
321
+ ATOM 320 CA PHE A 41 41.307 51.083 2.219 1.00 0.00 C
322
+ ATOM 321 C PHE A 41 40.847 49.829 1.486 1.00 0.00 C
323
+ ATOM 322 CB PHE A 41 42.239 50.703 3.375 1.00 0.00 C
324
+ ATOM 323 O PHE A 41 39.671 49.465 1.544 1.00 0.00 O
325
+ ATOM 324 CG PHE A 41 42.763 51.885 4.145 1.00 0.00 C
326
+ ATOM 325 CD1 PHE A 41 43.799 52.658 3.638 1.00 0.00 C
327
+ ATOM 326 CD2 PHE A 41 42.219 52.221 5.378 1.00 0.00 C
328
+ ATOM 327 CE1 PHE A 41 44.288 53.752 4.349 1.00 0.00 C
329
+ ATOM 328 CE2 PHE A 41 42.701 53.313 6.094 1.00 0.00 C
330
+ ATOM 329 CZ PHE A 41 43.736 54.077 5.578 1.00 0.00 C
331
+ ATOM 330 N SER A 42 41.696 49.207 0.802 1.00 0.00 N
332
+ ATOM 331 CA SER A 42 41.478 47.932 0.127 1.00 0.00 C
333
+ ATOM 332 C SER A 42 42.637 46.972 0.372 1.00 0.00 C
334
+ ATOM 333 CB SER A 42 41.288 48.143 -1.375 1.00 0.00 C
335
+ ATOM 334 O SER A 42 43.801 47.380 0.361 1.00 0.00 O
336
+ ATOM 335 OG SER A 42 40.100 48.871 -1.634 1.00 0.00 O
337
+ ATOM 336 N LEU A 43 42.322 45.820 0.657 1.00 0.00 N
338
+ ATOM 337 CA LEU A 43 43.269 44.712 0.726 1.00 0.00 C
339
+ ATOM 338 C LEU A 43 43.353 43.984 -0.611 1.00 0.00 C
340
+ ATOM 339 CB LEU A 43 42.866 43.731 1.831 1.00 0.00 C
341
+ ATOM 340 O LEU A 43 42.330 43.573 -1.164 1.00 0.00 O
342
+ ATOM 341 CG LEU A 43 43.624 42.403 1.866 1.00 0.00 C
343
+ ATOM 342 CD1 LEU A 43 45.077 42.633 2.267 1.00 0.00 C
344
+ ATOM 343 CD2 LEU A 43 42.948 41.427 2.823 1.00 0.00 C
345
+ ATOM 344 N SER A 44 44.521 43.834 -1.165 1.00 0.00 N
346
+ ATOM 345 CA SER A 44 44.788 43.046 -2.364 1.00 0.00 C
347
+ ATOM 346 C SER A 44 45.715 41.874 -2.061 1.00 0.00 C
348
+ ATOM 347 CB SER A 44 45.401 43.923 -3.457 1.00 0.00 C
349
+ ATOM 348 O SER A 44 46.776 42.055 -1.462 1.00 0.00 O
350
+ ATOM 349 OG SER A 44 44.532 44.990 -3.793 1.00 0.00 O
351
+ ATOM 350 N VAL A 45 45.324 40.726 -2.468 1.00 0.00 N
352
+ ATOM 351 CA VAL A 45 46.117 39.547 -2.135 1.00 0.00 C
353
+ ATOM 352 C VAL A 45 46.167 38.604 -3.335 1.00 0.00 C
354
+ ATOM 353 CB VAL A 45 45.549 38.811 -0.902 1.00 0.00 C
355
+ ATOM 354 O VAL A 45 45.166 38.420 -4.032 1.00 0.00 O
356
+ ATOM 355 CG1 VAL A 45 44.101 38.385 -1.146 1.00 0.00 C
357
+ ATOM 356 CG2 VAL A 45 46.414 37.600 -0.557 1.00 0.00 C
358
+ ATOM 357 N ARG A 46 47.369 38.038 -3.576 1.00 0.00 N
359
+ ATOM 358 CA ARG A 46 47.572 37.064 -4.645 1.00 0.00 C
360
+ ATOM 359 C ARG A 46 47.051 35.690 -4.242 1.00 0.00 C
361
+ ATOM 360 CB ARG A 46 49.054 36.976 -5.017 1.00 0.00 C
362
+ ATOM 361 O ARG A 46 47.394 35.180 -3.172 1.00 0.00 O
363
+ ATOM 362 CG ARG A 46 49.341 36.047 -6.186 1.00 0.00 C
364
+ ATOM 363 CD ARG A 46 50.780 36.175 -6.667 1.00 0.00 C
365
+ ATOM 364 NE ARG A 46 51.074 35.232 -7.743 1.00 0.00 N
366
+ ATOM 365 NH1 ARG A 46 53.180 36.072 -8.182 1.00 0.00 N
367
+ ATOM 366 NH2 ARG A 46 52.371 34.304 -9.396 1.00 0.00 N
368
+ ATOM 367 CZ ARG A 46 52.208 35.205 -8.438 1.00 0.00 C
369
+ ATOM 368 N ASP A 47 46.158 35.194 -5.075 1.00 0.00 N
370
+ ATOM 369 CA ASP A 47 45.558 33.881 -4.859 1.00 0.00 C
371
+ ATOM 370 C ASP A 47 45.663 33.016 -6.114 1.00 0.00 C
372
+ ATOM 371 CB ASP A 47 44.094 34.021 -4.438 1.00 0.00 C
373
+ ATOM 372 O ASP A 47 46.065 33.499 -7.175 1.00 0.00 O
374
+ ATOM 373 CG ASP A 47 43.540 32.764 -3.791 1.00 0.00 C
375
+ ATOM 374 OD1 ASP A 47 44.331 31.868 -3.425 1.00 0.00 O
376
+ ATOM 375 OD2 ASP A 47 42.302 32.668 -3.648 1.00 0.00 O
377
+ ATOM 376 N PHE A 48 45.426 31.782 -5.952 1.00 0.00 N
378
+ ATOM 377 CA PHE A 48 45.375 30.852 -7.074 1.00 0.00 C
379
+ ATOM 378 C PHE A 48 43.959 30.325 -7.275 1.00 0.00 C
380
+ ATOM 379 CB PHE A 48 46.343 29.686 -6.853 1.00 0.00 C
381
+ ATOM 380 O PHE A 48 43.330 29.846 -6.329 1.00 0.00 O
382
+ ATOM 381 CG PHE A 48 46.425 28.737 -8.017 1.00 0.00 C
383
+ ATOM 382 CD1 PHE A 48 47.189 29.049 -9.136 1.00 0.00 C
384
+ ATOM 383 CD2 PHE A 48 45.737 27.531 -7.994 1.00 0.00 C
385
+ ATOM 384 CE1 PHE A 48 47.267 28.172 -10.214 1.00 0.00 C
386
+ ATOM 385 CE2 PHE A 48 45.810 26.648 -9.069 1.00 0.00 C
387
+ ATOM 386 CZ PHE A 48 46.574 26.972 -10.179 1.00 0.00 C
388
+ ATOM 387 N ASP A 49 43.380 30.651 -8.449 1.00 0.00 N
389
+ ATOM 388 CA ASP A 49 42.070 30.160 -8.868 1.00 0.00 C
390
+ ATOM 389 C ASP A 49 42.206 28.994 -9.844 1.00 0.00 C
391
+ ATOM 390 CB ASP A 49 41.254 31.286 -9.505 1.00 0.00 C
392
+ ATOM 391 O ASP A 49 42.975 29.069 -10.806 1.00 0.00 O
393
+ ATOM 392 CG ASP A 49 39.858 30.849 -9.914 1.00 0.00 C
394
+ ATOM 393 OD1 ASP A 49 39.671 30.416 -11.072 1.00 0.00 O
395
+ ATOM 394 OD2 ASP A 49 38.938 30.941 -9.073 1.00 0.00 O
396
+ ATOM 395 N GLN A 50 41.541 27.842 -9.592 1.00 0.00 N
397
+ ATOM 396 CA GLN A 50 41.686 26.628 -10.389 1.00 0.00 C
398
+ ATOM 397 C GLN A 50 41.358 26.891 -11.856 1.00 0.00 C
399
+ ATOM 398 CB GLN A 50 40.787 25.517 -9.842 1.00 0.00 C
400
+ ATOM 399 O GLN A 50 41.963 26.293 -12.749 1.00 0.00 O
401
+ ATOM 400 CG GLN A 50 41.252 24.952 -8.506 1.00 0.00 C
402
+ ATOM 401 CD GLN A 50 40.422 23.766 -8.051 1.00 0.00 C
403
+ ATOM 402 NE2 GLN A 50 40.875 23.097 -6.996 1.00 0.00 N
404
+ ATOM 403 OE1 GLN A 50 39.383 23.455 -8.641 1.00 0.00 O
405
+ ATOM 404 N ASN A 51 40.517 27.786 -12.088 1.00 0.00 N
406
+ ATOM 405 CA ASN A 51 40.065 28.049 -13.451 1.00 0.00 C
407
+ ATOM 406 C ASN A 51 40.883 29.156 -14.110 1.00 0.00 C
408
+ ATOM 407 CB ASN A 51 38.578 28.410 -13.463 1.00 0.00 C
409
+ ATOM 408 O ASN A 51 41.068 29.154 -15.328 1.00 0.00 O
410
+ ATOM 409 CG ASN A 51 37.693 27.255 -13.032 1.00 0.00 C
411
+ ATOM 410 ND2 ASN A 51 36.622 27.566 -12.311 1.00 0.00 N
412
+ ATOM 411 OD1 ASN A 51 37.971 26.095 -13.346 1.00 0.00 O
413
+ ATOM 412 N GLN A 52 41.388 30.093 -13.379 1.00 0.00 N
414
+ ATOM 413 CA GLN A 52 42.000 31.300 -13.925 1.00 0.00 C
415
+ ATOM 414 C GLN A 52 43.504 31.320 -13.666 1.00 0.00 C
416
+ ATOM 415 CB GLN A 52 41.348 32.549 -13.329 1.00 0.00 C
417
+ ATOM 416 O GLN A 52 44.235 32.100 -14.280 1.00 0.00 O
418
+ ATOM 417 CG GLN A 52 39.883 32.718 -13.707 1.00 0.00 C
419
+ ATOM 418 CD GLN A 52 39.255 33.950 -13.084 1.00 0.00 C
420
+ ATOM 419 NE2 GLN A 52 38.388 34.619 -13.837 1.00 0.00 N
421
+ ATOM 420 OE1 GLN A 52 39.544 34.298 -11.935 1.00 0.00 O
422
+ ATOM 421 N GLY A 53 43.930 30.339 -12.808 1.00 0.00 N
423
+ ATOM 422 CA GLY A 53 45.317 30.434 -12.385 1.00 0.00 C
424
+ ATOM 423 C GLY A 53 45.553 31.516 -11.349 1.00 0.00 C
425
+ ATOM 424 O GLY A 53 44.708 31.746 -10.481 1.00 0.00 O
426
+ ATOM 425 N GLU A 54 46.703 32.136 -11.439 1.00 0.00 N
427
+ ATOM 426 CA GLU A 54 47.047 33.191 -10.491 1.00 0.00 C
428
+ ATOM 427 C GLU A 54 46.149 34.410 -10.672 1.00 0.00 C
429
+ ATOM 428 CB GLU A 54 48.517 33.592 -10.644 1.00 0.00 C
430
+ ATOM 429 O GLU A 54 45.952 34.882 -11.795 1.00 0.00 O
431
+ ATOM 430 CG GLU A 54 49.495 32.459 -10.368 1.00 0.00 C
432
+ ATOM 431 CD GLU A 54 49.574 32.079 -8.898 1.00 0.00 C
433
+ ATOM 432 OE1 GLU A 54 49.056 32.836 -8.046 1.00 0.00 O
434
+ ATOM 433 OE2 GLU A 54 50.160 31.015 -8.595 1.00 0.00 O
435
+ ATOM 434 N VAL A 55 45.609 34.857 -9.548 1.00 0.00 N
436
+ ATOM 435 CA VAL A 55 44.721 36.014 -9.589 1.00 0.00 C
437
+ ATOM 436 C VAL A 55 44.940 36.877 -8.348 1.00 0.00 C
438
+ ATOM 437 CB VAL A 55 43.239 35.589 -9.688 1.00 0.00 C
439
+ ATOM 438 O VAL A 55 45.557 36.434 -7.377 1.00 0.00 O
440
+ ATOM 439 CG1 VAL A 55 42.983 34.820 -10.983 1.00 0.00 C
441
+ ATOM 440 CG2 VAL A 55 42.843 34.747 -8.476 1.00 0.00 C
442
+ ATOM 441 N VAL A 56 44.546 38.040 -8.433 1.00 0.00 N
443
+ ATOM 442 CA VAL A 56 44.553 38.929 -7.275 1.00 0.00 C
444
+ ATOM 443 C VAL A 56 43.121 39.201 -6.823 1.00 0.00 C
445
+ ATOM 444 CB VAL A 56 45.277 40.258 -7.585 1.00 0.00 C
446
+ ATOM 445 O VAL A 56 42.272 39.590 -7.629 1.00 0.00 O
447
+ ATOM 446 CG1 VAL A 56 45.218 41.198 -6.381 1.00 0.00 C
448
+ ATOM 447 CG2 VAL A 56 46.727 39.995 -7.991 1.00 0.00 C
449
+ ATOM 448 N LYS A 57 42.808 38.983 -5.608 1.00 0.00 N
450
+ ATOM 449 CA LYS A 57 41.515 39.298 -5.009 1.00 0.00 C
451
+ ATOM 450 C LYS A 57 41.574 40.610 -4.231 1.00 0.00 C
452
+ ATOM 451 CB LYS A 57 41.059 38.165 -4.088 1.00 0.00 C
453
+ ATOM 452 O LYS A 57 42.569 40.896 -3.561 1.00 0.00 O
454
+ ATOM 453 CG LYS A 57 40.972 36.809 -4.773 1.00 0.00 C
455
+ ATOM 454 CD LYS A 57 39.833 36.766 -5.785 1.00 0.00 C
456
+ ATOM 455 CE LYS A 57 39.693 35.386 -6.412 1.00 0.00 C
457
+ ATOM 456 NZ LYS A 57 38.538 35.320 -7.357 1.00 0.00 N
458
+ ATOM 457 N HIS A 58 40.553 41.351 -4.318 1.00 0.00 N
459
+ ATOM 458 CA HIS A 58 40.458 42.641 -3.646 1.00 0.00 C
460
+ ATOM 459 C HIS A 58 39.328 42.648 -2.624 1.00 0.00 C
461
+ ATOM 460 CB HIS A 58 40.250 43.763 -4.666 1.00 0.00 C
462
+ ATOM 461 O HIS A 58 38.212 42.216 -2.921 1.00 0.00 O
463
+ ATOM 462 CG HIS A 58 41.260 43.764 -5.770 1.00 0.00 C
464
+ ATOM 463 CD2 HIS A 58 41.216 43.233 -7.015 1.00 0.00 C
465
+ ATOM 464 ND1 HIS A 58 42.493 44.366 -5.649 1.00 0.00 N
466
+ ATOM 465 CE1 HIS A 58 43.167 44.206 -6.776 1.00 0.00 C
467
+ ATOM 466 NE2 HIS A 58 42.414 43.522 -7.620 1.00 0.00 N
468
+ ATOM 467 N TYR A 59 39.663 43.072 -1.483 1.00 0.00 N
469
+ ATOM 468 CA TYR A 59 38.674 43.185 -0.415 1.00 0.00 C
470
+ ATOM 469 C TYR A 59 38.599 44.615 0.109 1.00 0.00 C
471
+ ATOM 470 CB TYR A 59 39.009 42.226 0.731 1.00 0.00 C
472
+ ATOM 471 O TYR A 59 39.618 45.200 0.482 1.00 0.00 O
473
+ ATOM 472 CG TYR A 59 39.035 40.774 0.320 1.00 0.00 C
474
+ ATOM 473 CD1 TYR A 59 37.872 40.007 0.327 1.00 0.00 C
475
+ ATOM 474 CD2 TYR A 59 40.221 40.166 -0.077 1.00 0.00 C
476
+ ATOM 475 CE1 TYR A 59 37.891 38.668 -0.048 1.00 0.00 C
477
+ ATOM 476 CE2 TYR A 59 40.252 38.828 -0.455 1.00 0.00 C
478
+ ATOM 477 OH TYR A 59 39.108 36.763 -0.811 1.00 0.00 O
479
+ ATOM 478 CZ TYR A 59 39.084 38.088 -0.438 1.00 0.00 C
480
+ ATOM 479 N LYS A 60 37.429 45.139 0.158 1.00 0.00 N
481
+ ATOM 480 CA LYS A 60 37.250 46.460 0.752 1.00 0.00 C
482
+ ATOM 481 C LYS A 60 37.436 46.412 2.266 1.00 0.00 C
483
+ ATOM 482 CB LYS A 60 35.868 47.020 0.412 1.00 0.00 C
484
+ ATOM 483 O LYS A 60 36.854 45.560 2.941 1.00 0.00 O
485
+ ATOM 484 CG LYS A 60 35.672 48.474 0.815 1.00 0.00 C
486
+ ATOM 485 CD LYS A 60 34.361 49.032 0.279 1.00 0.00 C
487
+ ATOM 486 CE LYS A 60 34.194 50.505 0.626 1.00 0.00 C
488
+ ATOM 487 NZ LYS A 60 32.952 51.079 0.027 1.00 0.00 N
489
+ ATOM 488 N ILE A 61 38.294 47.330 2.795 1.00 0.00 N
490
+ ATOM 489 CA ILE A 61 38.410 47.559 4.232 1.00 0.00 C
491
+ ATOM 490 C ILE A 61 37.602 48.793 4.625 1.00 0.00 C
492
+ ATOM 491 CB ILE A 61 39.886 47.724 4.660 1.00 0.00 C
493
+ ATOM 492 O ILE A 61 37.923 49.910 4.212 1.00 0.00 O
494
+ ATOM 493 CG1 ILE A 61 40.700 46.489 4.261 1.00 0.00 C
495
+ ATOM 494 CG2 ILE A 61 39.985 47.982 6.166 1.00 0.00 C
496
+ ATOM 495 CD1 ILE A 61 42.208 46.690 4.334 1.00 0.00 C
497
+ ATOM 496 N ARG A 62 36.615 48.549 5.408 1.00 0.00 N
498
+ ATOM 497 CA ARG A 62 35.734 49.635 5.826 1.00 0.00 C
499
+ ATOM 498 C ARG A 62 36.102 50.133 7.220 1.00 0.00 C
500
+ ATOM 499 CB ARG A 62 34.271 49.184 5.799 1.00 0.00 C
501
+ ATOM 500 O ARG A 62 36.674 49.389 8.020 1.00 0.00 O
502
+ ATOM 501 CG ARG A 62 33.787 48.746 4.426 1.00 0.00 C
503
+ ATOM 502 CD ARG A 62 32.347 48.256 4.467 1.00 0.00 C
504
+ ATOM 503 NE ARG A 62 31.883 47.836 3.148 1.00 0.00 N
505
+ ATOM 504 NH1 ARG A 62 29.838 47.057 3.887 1.00 0.00 N
506
+ ATOM 505 NH2 ARG A 62 30.381 46.933 1.663 1.00 0.00 N
507
+ ATOM 506 CZ ARG A 62 30.701 47.276 2.902 1.00 0.00 C
508
+ ATOM 507 N ASN A 63 35.776 51.389 7.459 1.00 0.00 N
509
+ ATOM 508 CA ASN A 63 35.983 52.026 8.755 1.00 0.00 C
510
+ ATOM 509 C ASN A 63 34.712 52.002 9.600 1.00 0.00 C
511
+ ATOM 510 CB ASN A 63 36.473 53.465 8.574 1.00 0.00 C
512
+ ATOM 511 O ASN A 63 33.608 52.154 9.073 1.00 0.00 O
513
+ ATOM 512 CG ASN A 63 37.724 53.552 7.723 1.00 0.00 C
514
+ ATOM 513 ND2 ASN A 63 37.799 54.577 6.882 1.00 0.00 N
515
+ ATOM 514 OD1 ASN A 63 38.616 52.705 7.820 1.00 0.00 O
516
+ ATOM 515 N LEU A 64 34.900 51.727 10.845 1.00 0.00 N
517
+ ATOM 516 CA LEU A 64 33.799 51.911 11.785 1.00 0.00 C
518
+ ATOM 517 C LEU A 64 33.643 53.382 12.157 1.00 0.00 C
519
+ ATOM 518 CB LEU A 64 34.026 51.074 13.046 1.00 0.00 C
520
+ ATOM 519 O LEU A 64 34.621 54.133 12.158 1.00 0.00 O
521
+ ATOM 520 CG LEU A 64 33.986 49.555 12.868 1.00 0.00 C
522
+ ATOM 521 CD1 LEU A 64 34.540 48.862 14.108 1.00 0.00 C
523
+ ATOM 522 CD2 LEU A 64 32.563 49.088 12.579 1.00 0.00 C
524
+ ATOM 523 N ASP A 65 32.422 53.842 12.446 1.00 0.00 N
525
+ ATOM 524 CA ASP A 65 32.174 55.228 12.832 1.00 0.00 C
526
+ ATOM 525 C ASP A 65 32.988 55.606 14.068 1.00 0.00 C
527
+ ATOM 526 CB ASP A 65 30.683 55.453 13.094 1.00 0.00 C
528
+ ATOM 527 O ASP A 65 33.490 56.727 14.168 1.00 0.00 O
529
+ ATOM 528 CG ASP A 65 29.843 55.386 11.831 1.00 0.00 C
530
+ ATOM 529 OD1 ASP A 65 30.389 55.583 10.723 1.00 0.00 O
531
+ ATOM 530 OD2 ASP A 65 28.623 55.137 11.944 1.00 0.00 O
532
+ ATOM 531 N ASN A 66 33.097 54.648 15.031 1.00 0.00 N
533
+ ATOM 532 CA ASN A 66 33.778 54.920 16.291 1.00 0.00 C
534
+ ATOM 533 C ASN A 66 35.263 54.574 16.214 1.00 0.00 C
535
+ ATOM 534 CB ASN A 66 33.114 54.153 17.438 1.00 0.00 C
536
+ ATOM 535 O ASN A 66 35.946 54.514 17.237 1.00 0.00 O
537
+ ATOM 536 CG ASN A 66 33.114 52.654 17.214 1.00 0.00 C
538
+ ATOM 537 ND2 ASN A 66 32.692 51.903 18.224 1.00 0.00 N
539
+ ATOM 538 OD1 ASN A 66 33.491 52.174 16.141 1.00 0.00 O
540
+ ATOM 539 N GLY A 67 35.736 54.472 15.058 1.00 0.00 N
541
+ ATOM 540 CA GLY A 67 37.126 54.053 14.953 1.00 0.00 C
542
+ ATOM 541 C GLY A 67 37.289 52.547 14.869 1.00 0.00 C
543
+ ATOM 542 O GLY A 67 36.491 51.798 15.437 1.00 0.00 O
544
+ ATOM 543 N GLY A 68 38.085 52.056 13.959 1.00 0.00 N
545
+ ATOM 544 CA GLY A 68 38.344 50.653 13.678 1.00 0.00 C
546
+ ATOM 545 C GLY A 68 38.066 50.273 12.236 1.00 0.00 C
547
+ ATOM 546 O GLY A 68 37.525 51.072 11.470 1.00 0.00 O
548
+ ATOM 547 N PHE A 69 38.421 49.044 11.927 1.00 0.00 N
549
+ ATOM 548 CA PHE A 69 38.370 48.604 10.538 1.00 0.00 C
550
+ ATOM 549 C PHE A 69 37.783 47.203 10.435 1.00 0.00 C
551
+ ATOM 550 CB PHE A 69 39.767 48.636 9.910 1.00 0.00 C
552
+ ATOM 551 O PHE A 69 37.860 46.419 11.383 1.00 0.00 O
553
+ ATOM 552 CG PHE A 69 40.384 50.008 9.870 1.00 0.00 C
554
+ ATOM 553 CD1 PHE A 69 40.149 50.860 8.797 1.00 0.00 C
555
+ ATOM 554 CD2 PHE A 69 41.199 50.447 10.905 1.00 0.00 C
556
+ ATOM 555 CE1 PHE A 69 40.719 52.130 8.758 1.00 0.00 C
557
+ ATOM 556 CE2 PHE A 69 41.772 51.715 10.872 1.00 0.00 C
558
+ ATOM 557 CZ PHE A 69 41.532 52.554 9.797 1.00 0.00 C
559
+ ATOM 558 N TYR A 70 37.229 46.947 9.299 1.00 0.00 N
560
+ ATOM 559 CA TYR A 70 36.736 45.594 9.072 1.00 0.00 C
561
+ ATOM 560 C TYR A 70 36.598 45.307 7.581 1.00 0.00 C
562
+ ATOM 561 CB TYR A 70 35.387 45.388 9.769 1.00 0.00 C
563
+ ATOM 562 O TYR A 70 36.437 46.228 6.777 1.00 0.00 O
564
+ ATOM 563 CG TYR A 70 34.289 46.280 9.243 1.00 0.00 C
565
+ ATOM 564 CD1 TYR A 70 34.132 47.580 9.720 1.00 0.00 C
566
+ ATOM 565 CD2 TYR A 70 33.407 45.826 8.268 1.00 0.00 C
567
+ ATOM 566 CE1 TYR A 70 33.121 48.405 9.239 1.00 0.00 C
568
+ ATOM 567 CE2 TYR A 70 32.393 46.642 7.779 1.00 0.00 C
569
+ ATOM 568 OH TYR A 70 31.255 48.741 7.791 1.00 0.00 O
570
+ ATOM 569 CZ TYR A 70 32.257 47.928 8.270 1.00 0.00 C
571
+ ATOM 570 N ILE A 71 36.792 44.013 7.271 1.00 0.00 N
572
+ ATOM 571 CA ILE A 71 36.429 43.483 5.961 1.00 0.00 C
573
+ ATOM 572 C ILE A 71 35.058 42.815 6.035 1.00 0.00 C
574
+ ATOM 573 CB ILE A 71 37.487 42.481 5.445 1.00 0.00 C
575
+ ATOM 574 O ILE A 71 34.205 43.038 5.173 1.00 0.00 O
576
+ ATOM 575 CG1 ILE A 71 38.802 43.205 5.135 1.00 0.00 C
577
+ ATOM 576 CG2 ILE A 71 36.968 41.737 4.211 1.00 0.00 C
578
+ ATOM 577 CD1 ILE A 71 39.953 42.273 4.782 1.00 0.00 C
579
+ ATOM 578 N SER A 72 34.830 41.982 7.027 1.00 0.00 N
580
+ ATOM 579 CA SER A 72 33.537 41.435 7.426 1.00 0.00 C
581
+ ATOM 580 C SER A 72 33.041 42.076 8.718 1.00 0.00 C
582
+ ATOM 581 CB SER A 72 33.628 39.918 7.601 1.00 0.00 C
583
+ ATOM 582 O SER A 72 33.787 42.172 9.696 1.00 0.00 O
584
+ ATOM 583 OG SER A 72 32.426 39.402 8.148 1.00 0.00 O
585
+ ATOM 584 N PRO A 73 31.851 42.479 8.753 1.00 0.00 N
586
+ ATOM 585 CA PRO A 73 31.360 43.160 9.952 1.00 0.00 C
587
+ ATOM 586 C PRO A 73 31.384 42.267 11.191 1.00 0.00 C
588
+ ATOM 587 CB PRO A 73 29.924 43.541 9.581 1.00 0.00 C
589
+ ATOM 588 O PRO A 73 31.302 42.764 12.317 1.00 0.00 O
590
+ ATOM 589 CG PRO A 73 29.585 42.660 8.422 1.00 0.00 C
591
+ ATOM 590 CD PRO A 73 30.862 42.231 7.758 1.00 0.00 C
592
+ ATOM 591 N ARG A 74 31.545 41.029 11.054 1.00 0.00 N
593
+ ATOM 592 CA ARG A 74 31.514 40.105 12.184 1.00 0.00 C
594
+ ATOM 593 C ARG A 74 32.806 40.185 12.991 1.00 0.00 C
595
+ ATOM 594 CB ARG A 74 31.285 38.672 11.700 1.00 0.00 C
596
+ ATOM 595 O ARG A 74 32.832 39.818 14.167 1.00 0.00 O
597
+ ATOM 596 CG ARG A 74 29.918 38.444 11.076 1.00 0.00 C
598
+ ATOM 597 CD ARG A 74 29.721 36.992 10.665 1.00 0.00 C
599
+ ATOM 598 NE ARG A 74 28.435 36.788 10.003 1.00 0.00 N
600
+ ATOM 599 NH1 ARG A 74 28.772 34.541 9.586 1.00 0.00 N
601
+ ATOM 600 NH2 ARG A 74 26.826 35.555 8.924 1.00 0.00 N
602
+ ATOM 601 CZ ARG A 74 28.014 35.629 9.506 1.00 0.00 C
603
+ ATOM 602 N ILE A 75 33.742 40.706 12.327 1.00 0.00 N
604
+ ATOM 603 CA ILE A 75 35.030 40.827 13.002 1.00 0.00 C
605
+ ATOM 604 C ILE A 75 35.615 42.216 12.752 1.00 0.00 C
606
+ ATOM 605 CB ILE A 75 36.019 39.737 12.531 1.00 0.00 C
607
+ ATOM 606 O ILE A 75 35.811 42.616 11.603 1.00 0.00 O
608
+ ATOM 607 CG1 ILE A 75 35.378 38.349 12.648 1.00 0.00 C
609
+ ATOM 608 CG2 ILE A 75 37.322 39.808 13.334 1.00 0.00 C
610
+ ATOM 609 CD1 ILE A 75 36.182 37.239 11.986 1.00 0.00 C
611
+ ATOM 610 N THR A 76 35.767 42.927 13.761 1.00 0.00 N
612
+ ATOM 611 CA THR A 76 36.311 44.276 13.639 1.00 0.00 C
613
+ ATOM 612 C THR A 76 37.669 44.375 14.328 1.00 0.00 C
614
+ ATOM 613 CB THR A 76 35.351 45.321 14.235 1.00 0.00 C
615
+ ATOM 614 O THR A 76 37.966 43.602 15.240 1.00 0.00 O
616
+ ATOM 615 CG2 THR A 76 33.959 45.202 13.624 1.00 0.00 C
617
+ ATOM 616 OG1 THR A 76 35.259 45.125 15.651 1.00 0.00 O
618
+ ATOM 617 N PHE A 77 38.436 45.366 13.910 1.00 0.00 N
619
+ ATOM 618 CA PHE A 77 39.791 45.534 14.421 1.00 0.00 C
620
+ ATOM 619 C PHE A 77 40.071 46.996 14.743 1.00 0.00 C
621
+ ATOM 620 CB PHE A 77 40.817 45.014 13.408 1.00 0.00 C
622
+ ATOM 621 O PHE A 77 39.601 47.894 14.038 1.00 0.00 O
623
+ ATOM 622 CG PHE A 77 40.581 43.590 12.982 1.00 0.00 C
624
+ ATOM 623 CD1 PHE A 77 41.099 42.534 13.718 1.00 0.00 C
625
+ ATOM 624 CD2 PHE A 77 39.837 43.310 11.841 1.00 0.00 C
626
+ ATOM 625 CE1 PHE A 77 40.882 41.215 13.325 1.00 0.00 C
627
+ ATOM 626 CE2 PHE A 77 39.616 41.995 11.442 1.00 0.00 C
628
+ ATOM 627 CZ PHE A 77 40.140 40.949 12.185 1.00 0.00 C
629
+ ATOM 628 N PRO A 78 40.817 47.258 15.797 1.00 0.00 N
630
+ ATOM 629 CA PRO A 78 41.119 48.650 16.135 1.00 0.00 C
631
+ ATOM 630 C PRO A 78 42.038 49.318 15.115 1.00 0.00 C
632
+ ATOM 631 CB PRO A 78 41.805 48.541 17.500 1.00 0.00 C
633
+ ATOM 632 O PRO A 78 42.067 50.548 15.017 1.00 0.00 O
634
+ ATOM 633 CG PRO A 78 42.302 47.133 17.566 1.00 0.00 C
635
+ ATOM 634 CD PRO A 78 41.359 46.257 16.792 1.00 0.00 C
636
+ ATOM 635 N GLY A 79 42.826 48.602 14.403 1.00 0.00 N
637
+ ATOM 636 CA GLY A 79 43.753 49.137 13.418 1.00 0.00 C
638
+ ATOM 637 C GLY A 79 44.081 48.153 12.311 1.00 0.00 C
639
+ ATOM 638 O GLY A 79 43.666 46.993 12.361 1.00 0.00 O
640
+ ATOM 639 N LEU A 80 44.804 48.721 11.306 1.00 0.00 N
641
+ ATOM 640 CA LEU A 80 45.157 47.898 10.155 1.00 0.00 C
642
+ ATOM 641 C LEU A 80 46.152 46.810 10.546 1.00 0.00 C
643
+ ATOM 642 CB LEU A 80 45.743 48.763 9.036 1.00 0.00 C
644
+ ATOM 643 O LEU A 80 46.150 45.722 9.966 1.00 0.00 O
645
+ ATOM 644 CG LEU A 80 44.786 49.756 8.374 1.00 0.00 C
646
+ ATOM 645 CD1 LEU A 80 45.543 50.653 7.401 1.00 0.00 C
647
+ ATOM 646 CD2 LEU A 80 43.657 49.019 7.663 1.00 0.00 C
648
+ ATOM 647 N HIS A 81 47.014 47.049 11.608 1.00 0.00 N
649
+ ATOM 648 CA HIS A 81 47.974 46.049 12.063 1.00 0.00 C
650
+ ATOM 649 C HIS A 81 47.266 44.815 12.610 1.00 0.00 C
651
+ ATOM 650 CB HIS A 81 48.899 46.640 13.129 1.00 0.00 C
652
+ ATOM 651 O HIS A 81 47.637 43.685 12.282 1.00 0.00 O
653
+ ATOM 652 CG HIS A 81 49.918 47.588 12.581 1.00 0.00 C
654
+ ATOM 653 CD2 HIS A 81 51.195 47.386 12.179 1.00 0.00 C
655
+ ATOM 654 ND1 HIS A 81 49.663 48.929 12.396 1.00 0.00 N
656
+ ATOM 655 CE1 HIS A 81 50.742 49.514 11.903 1.00 0.00 C
657
+ ATOM 656 NE2 HIS A 81 51.687 48.598 11.763 1.00 0.00 N
658
+ ATOM 657 N GLU A 82 46.297 45.119 13.419 1.00 0.00 N
659
+ ATOM 658 CA GLU A 82 45.554 44.010 14.011 1.00 0.00 C
660
+ ATOM 659 C GLU A 82 44.773 43.240 12.951 1.00 0.00 C
661
+ ATOM 660 CB GLU A 82 44.604 44.520 15.099 1.00 0.00 C
662
+ ATOM 661 O GLU A 82 44.601 42.023 13.061 1.00 0.00 O
663
+ ATOM 662 CG GLU A 82 45.305 44.928 16.386 1.00 0.00 C
664
+ ATOM 663 CD GLU A 82 46.016 46.268 16.283 1.00 0.00 C
665
+ ATOM 664 OE1 GLU A 82 45.756 47.020 15.317 1.00 0.00 O
666
+ ATOM 665 OE2 GLU A 82 46.841 46.567 17.175 1.00 0.00 O
667
+ ATOM 666 N LEU A 83 44.290 43.962 11.970 1.00 0.00 N
668
+ ATOM 667 CA LEU A 83 43.592 43.316 10.864 1.00 0.00 C
669
+ ATOM 668 C LEU A 83 44.528 42.384 10.102 1.00 0.00 C
670
+ ATOM 669 CB LEU A 83 43.011 44.364 9.912 1.00 0.00 C
671
+ ATOM 670 O LEU A 83 44.199 41.216 9.877 1.00 0.00 O
672
+ ATOM 671 CG LEU A 83 42.210 43.829 8.723 1.00 0.00 C
673
+ ATOM 672 CD1 LEU A 83 41.077 44.789 8.372 1.00 0.00 C
674
+ ATOM 673 CD2 LEU A 83 43.121 43.607 7.521 1.00 0.00 C
675
+ ATOM 674 N VAL A 84 45.717 42.869 9.747 1.00 0.00 N
676
+ ATOM 675 CA VAL A 84 46.696 42.080 9.008 1.00 0.00 C
677
+ ATOM 676 C VAL A 84 47.134 40.881 9.847 1.00 0.00 C
678
+ ATOM 677 CB VAL A 84 47.925 42.928 8.608 1.00 0.00 C
679
+ ATOM 678 O VAL A 84 47.240 39.764 9.336 1.00 0.00 O
680
+ ATOM 679 CG1 VAL A 84 49.073 42.032 8.146 1.00 0.00 C
681
+ ATOM 680 CG2 VAL A 84 47.550 43.927 7.516 1.00 0.00 C
682
+ ATOM 681 N ARG A 85 47.387 41.114 11.114 1.00 0.00 N
683
+ ATOM 682 CA ARG A 85 47.794 40.025 11.994 1.00 0.00 C
684
+ ATOM 683 C ARG A 85 46.737 38.927 12.032 1.00 0.00 C
685
+ ATOM 684 CB ARG A 85 48.059 40.545 13.409 1.00 0.00 C
686
+ ATOM 685 O ARG A 85 47.063 37.739 11.963 1.00 0.00 O
687
+ ATOM 686 CG ARG A 85 48.622 39.498 14.355 1.00 0.00 C
688
+ ATOM 687 CD ARG A 85 48.847 40.062 15.751 1.00 0.00 C
689
+ ATOM 688 NE ARG A 85 49.725 41.229 15.726 1.00 0.00 N
690
+ ATOM 689 NH1 ARG A 85 49.534 41.679 17.984 1.00 0.00 N
691
+ ATOM 690 NH2 ARG A 85 50.840 43.011 16.652 1.00 0.00 N
692
+ ATOM 691 CZ ARG A 85 50.030 41.970 16.787 1.00 0.00 C
693
+ ATOM 692 N HIS A 86 45.509 39.312 12.119 1.00 0.00 N
694
+ ATOM 693 CA HIS A 86 44.426 38.334 12.153 1.00 0.00 C
695
+ ATOM 694 C HIS A 86 44.406 37.491 10.883 1.00 0.00 C
696
+ ATOM 695 CB HIS A 86 43.079 39.035 12.341 1.00 0.00 C
697
+ ATOM 696 O HIS A 86 44.338 36.262 10.951 1.00 0.00 O
698
+ ATOM 697 CG HIS A 86 41.905 38.112 12.251 1.00 0.00 C
699
+ ATOM 698 CD2 HIS A 86 41.063 37.843 11.225 1.00 0.00 C
700
+ ATOM 699 ND1 HIS A 86 41.484 37.338 13.310 1.00 0.00 N
701
+ ATOM 700 CE1 HIS A 86 40.431 36.630 12.939 1.00 0.00 C
702
+ ATOM 701 NE2 HIS A 86 40.156 36.917 11.678 1.00 0.00 N
703
+ ATOM 702 N TYR A 87 44.499 38.110 9.721 1.00 0.00 N
704
+ ATOM 703 CA TYR A 87 44.342 37.388 8.463 1.00 0.00 C
705
+ ATOM 704 C TYR A 87 45.642 36.700 8.062 1.00 0.00 C
706
+ ATOM 705 CB TYR A 87 43.890 38.340 7.351 1.00 0.00 C
707
+ ATOM 706 O TYR A 87 45.675 35.940 7.092 1.00 0.00 O
708
+ ATOM 707 CG TYR A 87 42.422 38.685 7.406 1.00 0.00 C
709
+ ATOM 708 CD1 TYR A 87 41.449 37.697 7.267 1.00 0.00 C
710
+ ATOM 709 CD2 TYR A 87 42.005 39.997 7.595 1.00 0.00 C
711
+ ATOM 710 CE1 TYR A 87 40.095 38.010 7.315 1.00 0.00 C
712
+ ATOM 711 CE2 TYR A 87 40.653 40.322 7.645 1.00 0.00 C
713
+ ATOM 712 OH TYR A 87 38.368 39.639 7.552 1.00 0.00 O
714
+ ATOM 713 CZ TYR A 87 39.707 39.324 7.505 1.00 0.00 C
715
+ ATOM 714 N THR A 88 46.675 36.981 8.768 1.00 0.00 N
716
+ ATOM 715 CA THR A 88 47.884 36.171 8.674 1.00 0.00 C
717
+ ATOM 716 C THR A 88 47.707 34.846 9.411 1.00 0.00 C
718
+ ATOM 717 CB THR A 88 49.104 36.919 9.244 1.00 0.00 C
719
+ ATOM 718 O THR A 88 48.233 33.816 8.984 1.00 0.00 O
720
+ ATOM 719 CG2 THR A 88 50.353 36.046 9.204 1.00 0.00 C
721
+ ATOM 720 OG1 THR A 88 49.336 38.101 8.469 1.00 0.00 O
722
+ ATOM 721 N ASN A 89 46.894 34.809 10.429 1.00 0.00 N
723
+ ATOM 722 CA ASN A 89 46.717 33.631 11.272 1.00 0.00 C
724
+ ATOM 723 C ASN A 89 45.539 32.780 10.808 1.00 0.00 C
725
+ ATOM 724 CB ASN A 89 46.532 34.041 12.735 1.00 0.00 C
726
+ ATOM 725 O ASN A 89 45.527 31.565 11.011 1.00 0.00 O
727
+ ATOM 726 CG ASN A 89 47.809 34.570 13.359 1.00 0.00 C
728
+ ATOM 727 ND2 ASN A 89 47.674 35.543 14.252 1.00 0.00 N
729
+ ATOM 728 OD1 ASN A 89 48.908 34.107 13.040 1.00 0.00 O
730
+ ATOM 729 N ALA A 90 44.537 33.470 10.196 1.00 0.00 N
731
+ ATOM 730 CA ALA A 90 43.320 32.809 9.732 1.00 0.00 C
732
+ ATOM 731 C ALA A 90 42.774 33.482 8.476 1.00 0.00 C
733
+ ATOM 732 CB ALA A 90 42.262 32.807 10.833 1.00 0.00 C
734
+ ATOM 733 O ALA A 90 42.904 34.697 8.309 1.00 0.00 O
735
+ ATOM 734 N SER A 91 42.175 32.695 7.575 1.00 0.00 N
736
+ ATOM 735 CA SER A 91 41.605 33.292 6.373 1.00 0.00 C
737
+ ATOM 736 C SER A 91 40.264 33.956 6.667 1.00 0.00 C
738
+ ATOM 737 CB SER A 91 41.432 32.237 5.280 1.00 0.00 C
739
+ ATOM 738 O SER A 91 39.948 35.006 6.104 1.00 0.00 O
740
+ ATOM 739 OG SER A 91 40.558 31.207 5.709 1.00 0.00 O
741
+ ATOM 740 N ASP A 92 39.345 33.471 7.525 1.00 0.00 N
742
+ ATOM 741 CA ASP A 92 38.068 33.968 8.028 1.00 0.00 C
743
+ ATOM 742 C ASP A 92 37.261 34.633 6.914 1.00 0.00 C
744
+ ATOM 743 CB ASP A 92 38.289 34.953 9.177 1.00 0.00 C
745
+ ATOM 744 O ASP A 92 36.770 35.751 7.080 1.00 0.00 O
746
+ ATOM 745 CG ASP A 92 38.549 34.265 10.506 1.00 0.00 C
747
+ ATOM 746 OD1 ASP A 92 38.322 33.041 10.613 1.00 0.00 O
748
+ ATOM 747 OD2 ASP A 92 38.981 34.954 11.455 1.00 0.00 O
749
+ ATOM 748 N GLY A 93 37.077 34.053 5.818 1.00 0.00 N
750
+ ATOM 749 CA GLY A 93 36.275 34.555 4.714 1.00 0.00 C
751
+ ATOM 750 C GLY A 93 37.109 35.026 3.537 1.00 0.00 C
752
+ ATOM 751 O GLY A 93 36.580 35.251 2.447 1.00 0.00 O
753
+ ATOM 752 N LEU A 94 38.390 35.275 3.741 1.00 0.00 N
754
+ ATOM 753 CA LEU A 94 39.255 35.597 2.610 1.00 0.00 C
755
+ ATOM 754 C LEU A 94 39.562 34.349 1.790 1.00 0.00 C
756
+ ATOM 755 CB LEU A 94 40.559 36.236 3.098 1.00 0.00 C
757
+ ATOM 756 O LEU A 94 39.443 33.228 2.288 1.00 0.00 O
758
+ ATOM 757 CG LEU A 94 40.423 37.552 3.864 1.00 0.00 C
759
+ ATOM 758 CD1 LEU A 94 41.796 38.174 4.099 1.00 0.00 C
760
+ ATOM 759 CD2 LEU A 94 39.515 38.519 3.111 1.00 0.00 C
761
+ ATOM 760 N CYS A 95 40.023 34.555 0.619 1.00 0.00 N
762
+ ATOM 761 CA CYS A 95 40.348 33.451 -0.278 1.00 0.00 C
763
+ ATOM 762 C CYS A 95 41.586 32.705 0.202 1.00 0.00 C
764
+ ATOM 763 CB CYS A 95 40.568 33.963 -1.701 1.00 0.00 C
765
+ ATOM 764 O CYS A 95 41.756 31.521 -0.094 1.00 0.00 O
766
+ ATOM 765 SG CYS A 95 41.910 35.164 -1.842 1.00 0.00 S
767
+ ATOM 766 N THR A 96 42.476 33.399 0.825 1.00 0.00 N
768
+ ATOM 767 CA THR A 96 43.705 32.827 1.365 1.00 0.00 C
769
+ ATOM 768 C THR A 96 44.177 33.612 2.585 1.00 0.00 C
770
+ ATOM 769 CB THR A 96 44.822 32.802 0.305 1.00 0.00 C
771
+ ATOM 770 O THR A 96 43.787 34.766 2.775 1.00 0.00 O
772
+ ATOM 771 CG2 THR A 96 45.307 34.211 -0.016 1.00 0.00 C
773
+ ATOM 772 OG1 THR A 96 45.924 32.029 0.798 1.00 0.00 O
774
+ ATOM 773 N ARG A 97 44.997 32.979 3.345 1.00 0.00 N
775
+ ATOM 774 CA ARG A 97 45.657 33.708 4.422 1.00 0.00 C
776
+ ATOM 775 C ARG A 97 46.744 34.628 3.875 1.00 0.00 C
777
+ ATOM 776 CB ARG A 97 46.258 32.737 5.440 1.00 0.00 C
778
+ ATOM 777 O ARG A 97 47.344 34.340 2.837 1.00 0.00 O
779
+ ATOM 778 CG ARG A 97 45.222 31.933 6.208 1.00 0.00 C
780
+ ATOM 779 CD ARG A 97 45.861 31.091 7.304 1.00 0.00 C
781
+ ATOM 780 NE ARG A 97 46.773 30.093 6.755 1.00 0.00 N
782
+ ATOM 781 NH1 ARG A 97 48.179 30.066 8.588 1.00 0.00 N
783
+ ATOM 782 NH2 ARG A 97 48.615 28.720 6.784 1.00 0.00 N
784
+ ATOM 783 CZ ARG A 97 47.854 29.628 7.377 1.00 0.00 C
785
+ ATOM 784 N LEU A 98 46.941 35.737 4.635 1.00 0.00 N
786
+ ATOM 785 CA LEU A 98 48.032 36.634 4.267 1.00 0.00 C
787
+ ATOM 786 C LEU A 98 49.379 36.046 4.672 1.00 0.00 C
788
+ ATOM 787 CB LEU A 98 47.842 38.005 4.923 1.00 0.00 C
789
+ ATOM 788 O LEU A 98 49.562 35.632 5.819 1.00 0.00 O
790
+ ATOM 789 CG LEU A 98 46.483 38.674 4.715 1.00 0.00 C
791
+ ATOM 790 CD1 LEU A 98 46.437 40.016 5.438 1.00 0.00 C
792
+ ATOM 791 CD2 LEU A 98 46.196 38.851 3.227 1.00 0.00 C
793
+ ATOM 792 N SER A 99 50.370 35.976 3.782 1.00 0.00 N
794
+ ATOM 793 CA SER A 99 51.634 35.302 4.064 1.00 0.00 C
795
+ ATOM 794 C SER A 99 52.782 36.302 4.168 1.00 0.00 C
796
+ ATOM 795 CB SER A 99 51.945 34.268 2.981 1.00 0.00 C
797
+ ATOM 796 O SER A 99 53.583 36.239 5.103 1.00 0.00 O
798
+ ATOM 797 OG SER A 99 52.141 34.897 1.726 1.00 0.00 O
799
+ ATOM 798 N ARG A 100 52.914 37.241 3.254 1.00 0.00 N
800
+ ATOM 799 CA ARG A 100 53.999 38.218 3.262 1.00 0.00 C
801
+ ATOM 800 C ARG A 100 53.594 39.492 2.527 1.00 0.00 C
802
+ ATOM 801 CB ARG A 100 55.260 37.626 2.630 1.00 0.00 C
803
+ ATOM 802 O ARG A 100 52.768 39.451 1.613 1.00 0.00 O
804
+ ATOM 803 CG ARG A 100 55.104 37.274 1.158 1.00 0.00 C
805
+ ATOM 804 CD ARG A 100 56.352 36.600 0.605 1.00 0.00 C
806
+ ATOM 805 NE ARG A 100 56.142 36.109 -0.754 1.00 0.00 N
807
+ ATOM 806 NH1 ARG A 100 58.389 35.932 -1.260 1.00 0.00 N
808
+ ATOM 807 NH2 ARG A 100 56.810 35.365 -2.821 1.00 0.00 N
809
+ ATOM 808 CZ ARG A 100 57.114 35.803 -1.608 1.00 0.00 C
810
+ ATOM 809 N PRO A 101 54.204 40.583 2.848 1.00 0.00 N
811
+ ATOM 810 CA PRO A 101 53.954 41.829 2.119 1.00 0.00 C
812
+ ATOM 811 C PRO A 101 54.421 41.765 0.667 1.00 0.00 C
813
+ ATOM 812 CB PRO A 101 54.757 42.866 2.907 1.00 0.00 C
814
+ ATOM 813 O PRO A 101 55.357 41.027 0.347 1.00 0.00 O
815
+ ATOM 814 CG PRO A 101 54.895 42.284 4.276 1.00 0.00 C
816
+ ATOM 815 CD PRO A 101 54.997 40.791 4.152 1.00 0.00 C
817
+ ATOM 816 N CYS A 102 53.762 42.431 -0.159 1.00 0.00 N
818
+ ATOM 817 CA CYS A 102 54.072 42.549 -1.580 1.00 0.00 C
819
+ ATOM 818 C CYS A 102 55.508 43.015 -1.788 1.00 0.00 C
820
+ ATOM 819 CB CYS A 102 53.108 43.520 -2.260 1.00 0.00 C
821
+ ATOM 820 O CYS A 102 55.941 43.996 -1.182 1.00 0.00 O
822
+ ATOM 821 SG CYS A 102 53.370 43.679 -4.040 1.00 0.00 S
823
+ ATOM 822 N GLN A 103 56.189 42.302 -2.593 1.00 0.00 N
824
+ ATOM 823 CA GLN A 103 57.540 42.679 -2.992 1.00 0.00 C
825
+ ATOM 824 C GLN A 103 57.523 43.518 -4.267 1.00 0.00 C
826
+ ATOM 825 CB GLN A 103 58.409 41.437 -3.193 1.00 0.00 C
827
+ ATOM 826 O GLN A 103 56.875 43.152 -5.249 1.00 0.00 O
828
+ ATOM 827 CG GLN A 103 58.483 40.534 -1.969 1.00 0.00 C
829
+ ATOM 828 CD GLN A 103 59.249 41.165 -0.820 1.00 0.00 C
830
+ ATOM 829 NE2 GLN A 103 58.736 41.002 0.394 1.00 0.00 N
831
+ ATOM 830 OE1 GLN A 103 60.293 41.792 -1.023 1.00 0.00 O
832
+ ATOM 831 N THR A 104 58.176 44.660 -4.319 1.00 0.00 N
833
+ ATOM 832 CA THR A 104 58.218 45.523 -5.495 1.00 0.00 C
834
+ ATOM 833 C THR A 104 59.567 45.411 -6.199 1.00 0.00 C
835
+ ATOM 834 CB THR A 104 57.951 46.993 -5.121 1.00 0.00 C
836
+ ATOM 835 O THR A 104 60.577 45.090 -5.570 1.00 0.00 O
837
+ ATOM 836 CG2 THR A 104 56.571 47.158 -4.491 1.00 0.00 C
838
+ ATOM 837 OG1 THR A 104 58.946 47.430 -4.188 1.00 0.00 O
839
+ ATOM 838 OXT THR A 104 58.992 45.730 -7.213 1.00 0.00 O
840
+ TER 839 THR A 104
841
+ END
1lcj/1lcj_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1ms7/1ms7_ligand.mol2 ADDED
@@ -0,0 +1,56 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:50 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 1ms7_ligand
7
+ 20 20 1 0 0
8
+ SMALL
9
+ GAST_HUCK
10
+
11
+
12
+ @<TRIPOS>ATOM
13
+ 1 O1 11.1980 24.9750 8.4310 O.3 1 SHI -0.1846
14
+ 2 N2 11.4760 26.3750 8.5270 N.am 1 SHI -0.1371
15
+ 3 C5 11.2160 24.6430 7.1180 C.2 1 SHI 0.1078
16
+ 4 C4 11.4710 25.7030 6.3330 C.2 1 SHI 0.0441
17
+ 5 C3 11.6730 26.7960 7.2770 C.2 1 SHI 0.2010
18
+ 6 O31 11.9940 27.9860 7.0250 O.2 1 SHI -0.4160
19
+ 7 C41 11.5530 25.8350 4.8320 C.3 1 SHI 0.0286
20
+ 8 C42 10.2310 26.2520 4.1260 C.3 1 SHI 0.0326
21
+ 9 N1 9.1760 25.1970 4.3250 N.4 1 SHI 0.2336
22
+ 10 C43 10.5620 26.5230 2.6110 C.2 1 SHI 0.0857
23
+ 11 O41 9.8850 25.8630 1.7630 O.co2 1 SHI -0.5642
24
+ 12 O42 11.4500 27.3790 2.3200 O.co2 1 SHI -0.5642
25
+ 13 H1 11.5147 26.9255 9.3610 H 1 SHI 0.2327
26
+ 14 H2 11.0440 23.6353 6.7427 H 1 SHI 0.1080
27
+ 15 H3 11.8645 24.8629 4.4223 H 1 SHI 0.0424
28
+ 16 H4 12.3157 26.5926 4.5990 H 1 SHI 0.0424
29
+ 17 H5 9.8640 27.1869 4.5746 H 1 SHI 0.1039
30
+ 18 H6 8.3262 25.4803 3.8628 H 1 SHI 0.2011
31
+ 19 H7 8.9995 25.0800 5.3105 H 1 SHI 0.2011
32
+ 20 H8 9.4957 24.3243 3.9349 H 1 SHI 0.2011
33
+ @<TRIPOS>BOND
34
+ 1 1 2 1
35
+ 2 1 3 1
36
+ 3 2 5 am
37
+ 4 3 4 2
38
+ 5 4 5 1
39
+ 6 4 7 1
40
+ 7 5 6 2
41
+ 8 7 8 1
42
+ 9 8 9 1
43
+ 10 8 10 1
44
+ 11 10 11 ar
45
+ 12 10 12 ar
46
+ 13 2 13 1
47
+ 14 3 14 1
48
+ 15 7 15 1
49
+ 16 7 16 1
50
+ 17 8 17 1
51
+ 18 9 18 1
52
+ 19 9 19 1
53
+ 20 9 20 1
54
+ @<TRIPOS>SUBSTRUCTURE
55
+ 1 SHI 1
56
+
1ms7/1ms7_ligand.sdf ADDED
@@ -0,0 +1,48 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ 1ms7_ligand
2
+ -I-interpret-
3
+
4
+ 21 21 0 0 0 0 0 0 0 0999 V2000
5
+ 11.1980 24.9750 8.4310 O 0 0 0 0 0
6
+ 11.4760 26.3750 8.5270 N 0 0 0 0 0
7
+ 11.2160 24.6430 7.1180 C 0 0 0 0 0
8
+ 11.4710 25.7030 6.3330 C 0 0 0 0 0
9
+ 11.6730 26.7960 7.2770 C 0 0 0 0 0
10
+ 11.9940 27.9860 7.0250 O 0 0 0 0 0
11
+ 11.5530 25.8350 4.8320 C 0 0 0 0 0
12
+ 10.2310 26.2520 4.1260 C 0 0 0 0 0
13
+ 9.1760 25.1970 4.3250 N 0 3 0 0 0
14
+ 10.5620 26.5230 2.6110 C 0 0 0 0 0
15
+ 9.8850 25.8630 1.7630 O 0 0 0 0 0
16
+ 11.4500 27.3790 2.3200 O 0 0 0 0 0
17
+ 11.5155 26.9365 9.3776 H 0 0 0 0 0
18
+ 11.0438 23.6343 6.7424 H 0 0 0 0 0
19
+ 11.8144 24.8495 4.4466 H 0 0 0 0 0
20
+ 12.2772 26.6237 4.6279 H 0 0 0 0 0
21
+ 9.8196 27.1647 4.5571 H 0 0 0 0 0
22
+ 8.3166 25.4847 3.8569 H 0 0 0 0 0
23
+ 9.5007 24.3144 3.9300 H 0 0 0 0 0
24
+ 8.9983 25.0795 5.3225 H 0 0 0 0 0
25
+ 9.2779 25.2796 2.2242 H 0 0 0 0 0
26
+ 1 2 1 0 0 0
27
+ 1 3 1 0 0 0
28
+ 2 5 1 0 0 0
29
+ 3 4 2 0 0 0
30
+ 4 5 1 0 0 0
31
+ 4 7 1 0 0 0
32
+ 5 6 2 0 0 0
33
+ 7 8 1 0 0 0
34
+ 8 9 1 0 0 0
35
+ 8 10 1 0 0 0
36
+ 10 11 1 0 0 0
37
+ 10 12 2 0 0 0
38
+ 2 13 1 0 0 0
39
+ 3 14 1 0 0 0
40
+ 7 15 1 0 0 0
41
+ 7 16 1 0 0 0
42
+ 8 17 1 0 0 0
43
+ 9 18 1 0 0 0
44
+ 9 19 1 0 0 0
45
+ 9 20 1 0 0 0
46
+ 11 21 1 0 0 0
47
+ M END
48
+ $$$$
1ms7/1ms7_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1ms7/1ms7_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1tet/1tet_ligand.mol2 ADDED
@@ -0,0 +1,393 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:45 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 1tet_ligand
7
+ 188 189 1 0 0
8
+ SMALL
9
+ GAST_HUCK
10
+
11
+
12
+ @<TRIPOS>ATOM
13
+ 1 N 48.9650 52.5080 86.3390 N.4 1 VAL 0.2381
14
+ 2 CA 48.1100 51.4830 85.7450 C.3 1 VAL 0.0675
15
+ 3 C 47.6020 52.3150 84.5640 C.2 1 VAL 0.2295
16
+ 4 O 47.0620 53.4050 84.7780 O.2 1 VAL -0.3905
17
+ 5 CB 46.9160 51.0620 86.6810 C.3 1 VAL 0.0139
18
+ 6 CG1 46.0520 50.1410 85.8680 C.3 1 VAL -0.0553
19
+ 7 CG2 47.3180 50.2510 87.9380 C.3 1 VAL -0.0553
20
+ 8 N 47.8860 51.9330 83.3230 N.am 1 PRO -0.2471
21
+ 9 CA 47.5300 52.6830 82.1170 C.3 1 PRO 0.1339
22
+ 10 C 46.0610 53.0710 82.1250 C.2 1 PRO 0.2039
23
+ 11 O 45.2480 52.2330 82.5050 O.2 1 PRO -0.3944
24
+ 12 CB 47.9020 51.7440 80.9780 C.3 1 PRO -0.0104
25
+ 13 CG 49.1080 51.0830 81.5240 C.3 1 PRO -0.0281
26
+ 14 CD 48.6590 50.7550 82.9640 C.3 1 PRO 0.0371
27
+ 15 N 45.6690 54.3050 81.7800 N.am 1 GLY -0.2664
28
+ 16 CA 44.2530 54.6520 81.7580 C.3 1 GLY 0.1201
29
+ 17 C 43.5740 54.6320 83.1010 C.2 1 GLY 0.2008
30
+ 18 O 42.4010 54.3010 83.0840 O.2 1 GLY -0.3947
31
+ 19 N 44.1020 55.0000 84.2740 N.am 1 SER -0.2618
32
+ 20 CA 43.3510 54.7020 85.5000 C.3 1 SER 0.1539
33
+ 21 C 43.2050 55.4750 86.8110 C.2 1 SER 0.2062
34
+ 22 O 42.2160 55.2310 87.5440 O.2 1 SER -0.3943
35
+ 23 CB 43.7430 53.2550 85.8620 C.3 1 SER 0.0843
36
+ 24 OG 43.3630 52.8430 87.1640 O.3 1 SER -0.3903
37
+ 25 N 44.0760 56.3660 87.2140 N.am 1 GLN -0.2635
38
+ 26 CA 44.0750 56.9560 88.5720 C.3 1 GLN 0.1330
39
+ 27 C 44.2370 55.9260 89.6930 C.2 1 GLN 0.2042
40
+ 28 O 44.1550 56.2550 90.8770 O.2 1 GLN -0.3944
41
+ 29 CB 42.7960 57.7530 88.8990 C.3 1 GLN 0.0045
42
+ 30 CG 42.7870 59.1470 88.3480 C.3 1 GLN 0.0412
43
+ 31 CD 41.4010 59.5900 88.0120 C.2 1 GLN 0.1737
44
+ 32 OE1 41.1600 59.7080 86.8280 O.2 1 GLN -0.3973
45
+ 33 NE2 40.3990 59.8800 88.8410 N.am 1 GLN -0.3009
46
+ 34 N 44.4190 54.6320 89.4180 N.am 1 HIS -0.2619
47
+ 35 CA 44.7400 53.7060 90.4970 C.3 1 HIS 0.1421
48
+ 36 C 46.2250 53.3810 90.4290 C.2 1 HIS 0.2060
49
+ 37 O 46.9260 53.6800 89.4600 O.2 1 HIS -0.3942
50
+ 38 CB 43.8480 52.4490 90.3840 C.3 1 HIS 0.0427
51
+ 39 CG 42.4490 52.9100 90.7070 C.2 1 HIS 0.0561
52
+ 40 ND1 41.6240 53.6830 89.9930 N.pl3 1 HIS -0.2623
53
+ 41 CD2 41.8330 52.6390 91.9020 C.2 1 HIS -0.0276
54
+ 42 CE1 40.5510 53.8920 90.7210 C.2 1 HIS 0.0875
55
+ 43 NE2 40.6890 53.2600 91.8650 N.2 1 HIS -0.3437
56
+ 44 N 46.6650 52.8330 91.5480 N.am 1 ILE -0.2633
57
+ 45 CA 48.0360 52.5080 91.8730 C.3 1 ILE 0.1335
58
+ 46 C 48.1040 50.9760 91.8610 C.2 1 ILE 0.2042
59
+ 47 O 47.0700 50.2810 91.9390 O.2 1 ILE -0.3944
60
+ 48 CB 48.2210 53.1960 93.2450 C.3 1 ILE -0.0037
61
+ 49 CG1 48.4070 54.6890 92.9750 C.3 1 ILE -0.0491
62
+ 50 CG2 49.3900 52.6780 94.0390 C.3 1 ILE -0.0582
63
+ 51 CD1 49.7600 55.0850 92.3200 C.3 1 ILE -0.0648
64
+ 52 N 49.3120 50.4390 91.7210 N.am 1 ASP -0.2622
65
+ 53 CA 49.5510 49.0070 91.7310 C.3 1 ASP 0.1423
66
+ 54 C 51.0110 48.8450 92.0900 C.2 1 ASP 0.2057
67
+ 55 O 51.7570 49.8130 91.9010 O.2 1 ASP -0.3943
68
+ 56 CB 49.3170 48.4150 90.3620 C.3 1 ASP 0.0406
69
+ 57 CG 49.0330 46.9260 90.3200 C.2 1 ASP 0.0393
70
+ 58 OD1 49.1650 46.2640 91.3490 O.co2 1 ASP -0.5688
71
+ 59 OD2 48.6510 46.4390 89.2460 O.co2 1 ASP -0.5688
72
+ 60 N 51.4580 47.6900 92.6020 N.am 1 SER -0.2615
73
+ 61 CA 52.8730 47.5500 92.9080 C.3 1 SER 0.1539
74
+ 62 C 53.6360 46.9410 91.7280 C.2 1 SER 0.2062
75
+ 63 O 53.0580 46.2900 90.8550 O.2 1 SER -0.3943
76
+ 64 CB 53.0160 46.6900 94.1670 C.3 1 SER 0.0843
77
+ 65 OG 52.1140 45.5690 94.2270 O.3 1 SER -0.3903
78
+ 66 N 54.9430 47.1840 91.6430 N.am 1 GLN -0.2635
79
+ 67 CA 55.7690 46.6150 90.5950 C.3 1 GLN 0.1330
80
+ 68 C 56.0460 45.1650 90.9430 C.2 1 GLN 0.2040
81
+ 69 O 55.8540 44.7680 92.0970 O.2 1 GLN -0.3944
82
+ 70 CB 57.1110 47.2990 90.4920 C.3 1 GLN 0.0045
83
+ 71 CG 57.1020 48.7810 90.2510 C.3 1 GLN 0.0412
84
+ 72 CD 58.5520 49.1840 90.1730 C.2 1 GLN 0.1737
85
+ 73 OE1 59.0960 49.3010 89.0920 O.2 1 GLN -0.3973
86
+ 74 NE2 59.2780 49.3160 91.2770 N.am 1 GLN -0.3009
87
+ 75 N 56.5930 44.4290 89.9800 N.am 1 LYS -0.2637
88
+ 76 CA 56.9010 43.0290 90.1580 C.3 1 LYS 0.1310
89
+ 77 C 58.3300 42.7240 89.7840 C.2 1 LYS 0.2040
90
+ 78 O 58.6270 42.8380 88.5910 O.2 1 LYS -0.3944
91
+ 79 CB 55.9820 42.1820 89.3050 C.3 1 LYS -0.0122
92
+ 80 CG 54.7560 41.6740 90.0240 C.3 1 LYS -0.0440
93
+ 81 CD 54.0580 40.6540 89.1180 C.3 1 LYS -0.0124
94
+ 82 CE 54.7080 39.2610 89.0270 C.3 1 LYS -0.0354
95
+ 83 NZ 56.0690 39.1950 88.4900 N.4 1 LYS 0.2185
96
+ 84 N 59.1870 42.4170 90.7780 N.am 1 LYS -0.2650
97
+ 85 CA 60.5760 42.0540 90.5060 C.3 1 LYS 0.1128
98
+ 86 C 60.6750 40.6830 89.8650 C.2 1 LYS 0.1245
99
+ 87 O 61.5490 40.5180 89.0230 O.2 1 LYS -0.3725
100
+ 88 CB 61.4170 42.1040 91.8110 C.3 1 LYS -0.0135
101
+ 89 CG 62.3950 40.9930 92.2250 C.3 1 LYS -0.0440
102
+ 90 CD 61.7410 39.9960 93.1840 C.3 1 LYS -0.0124
103
+ 91 CE 62.6910 38.9100 93.6980 C.3 1 LYS -0.0354
104
+ 92 NZ 62.8690 37.8260 92.7510 N.4 1 LYS 0.2185
105
+ 93 H1 49.7088 52.7375 85.6986 H 1 VAL 0.2015
106
+ 94 H2 49.3580 52.1604 87.1997 H 1 VAL 0.2015
107
+ 95 H3 48.4182 53.3333 86.5284 H 1 VAL 0.2015
108
+ 96 H4 48.6744 50.5919 85.4330 H 1 VAL 0.1101
109
+ 97 H5 46.3615 51.9609 86.9884 H 1 VAL 0.0376
110
+ 98 H6 45.1952 49.8118 86.4742 H 1 VAL 0.0236
111
+ 99 H7 46.6402 49.2646 85.5582 H 1 VAL 0.0236
112
+ 100 H8 45.6877 50.6720 84.9762 H 1 VAL 0.0236
113
+ 101 H9 47.9576 50.8698 88.5845 H 1 VAL 0.0236
114
+ 102 H10 47.8690 49.3495 87.6320 H 1 VAL 0.0236
115
+ 103 H11 46.4129 49.9579 88.4902 H 1 VAL 0.0236
116
+ 104 H12 48.1300 53.6026 82.0509 H 1 PRO 0.0802
117
+ 105 H13 48.1306 52.3001 80.0569 H 1 PRO 0.0313
118
+ 106 H14 47.1009 51.0172 80.7782 H 1 PRO 0.0313
119
+ 107 H15 49.9742 51.7609 81.5186 H 1 PRO 0.0287
120
+ 108 H16 49.3537 50.1695 80.9626 H 1 PRO 0.0287
121
+ 109 H17 48.0379 49.8475 82.9907 H 1 PRO 0.0524
122
+ 110 H18 49.5238 50.6272 83.6316 H 1 PRO 0.0524
123
+ 111 H19 46.3525 54.9929 81.5359 H 1 GLY 0.1881
124
+ 112 H20 43.7358 53.9353 81.1031 H 1 GLY 0.0763
125
+ 113 H21 44.1561 55.6654 81.3414 H 1 GLY 0.0763
126
+ 114 H22 44.9857 55.4662 84.3147 H 1 SER 0.1884
127
+ 115 H23 42.3129 54.6763 85.1370 H 1 SER 0.0823
128
+ 116 H24 44.8364 53.1664 85.7809 H 1 SER 0.0606
129
+ 117 H25 43.2656 52.5797 85.1367 H 1 SER 0.0606
130
+ 118 H26 43.6406 51.9454 87.3046 H 1 SER 0.2097
131
+ 119 H27 44.7801 56.6641 86.5695 H 1 GLN 0.1883
132
+ 120 H28 44.9297 57.6470 88.6166 H 1 GLN 0.0801
133
+ 121 H29 42.6964 57.8131 89.9928 H 1 GLN 0.0337
134
+ 122 H30 41.9347 57.2109 88.4816 H 1 GLN 0.0337
135
+ 123 H31 43.4029 59.1760 87.4370 H 1 GLN 0.0504
136
+ 124 H32 43.2096 59.8314 89.0983 H 1 GLN 0.0504
137
+ 125 H33 39.5140 60.1672 88.4745 H 1 GLN 0.1814
138
+ 126 H34 40.5320 59.8105 89.8297 H 1 GLN 0.1814
139
+ 127 H35 44.3356 54.3005 88.4782 H 1 HIS 0.1885
140
+ 128 H36 44.5325 54.1910 91.4622 H 1 HIS 0.0824
141
+ 129 H37 44.1740 51.6817 91.1016 H 1 HIS 0.0491
142
+ 130 H38 43.8906 52.0390 89.3642 H 1 HIS 0.0491
143
+ 131 H39 41.7981 54.0477 89.0456 H 1 HIS 0.2386
144
+ 132 H40 42.2215 52.0288 92.7160 H 1 HIS 0.0324
145
+ 133 H41 39.6899 54.4897 90.4257 H 1 HIS 0.1149
146
+ 134 H42 45.9779 52.6208 92.2429 H 1 ILE 0.1883
147
+ 135 H43 48.7512 52.9158 91.1435 H 1 ILE 0.0803
148
+ 136 H44 47.3089 53.0415 93.8402 H 1 ILE 0.0345
149
+ 137 H45 48.3265 55.2200 93.9350 H 1 ILE 0.0267
150
+ 138 H46 47.5975 55.0162 92.3059 H 1 ILE 0.0267
151
+ 139 H47 49.2546 51.6036 94.2324 H 1 ILE 0.0235
152
+ 140 H48 49.4517 53.2178 94.9955 H 1 ILE 0.0235
153
+ 141 H49 50.3181 52.8339 93.4694 H 1 ILE 0.0235
154
+ 142 H50 49.7899 56.1744 92.1703 H 1 ILE 0.0230
155
+ 143 H51 49.8592 54.5786 91.3486 H 1 ILE 0.0230
156
+ 144 H52 50.5882 54.7824 92.9776 H 1 ILE 0.0230
157
+ 145 H53 50.0940 51.0510 91.6031 H 1 ASP 0.1884
158
+ 146 H54 48.9049 48.5110 92.4703 H 1 ASP 0.0819
159
+ 147 H55 50.2156 48.6031 89.7561 H 1 ASP 0.0478
160
+ 148 H56 48.4571 48.9341 89.9136 H 1 ASP 0.0478
161
+ 149 H57 50.8263 46.9336 92.7716 H 1 SER 0.1884
162
+ 150 H58 53.2918 48.5466 93.1112 H 1 SER 0.0823
163
+ 151 H59 52.8298 47.3287 95.0430 H 1 SER 0.0606
164
+ 152 H60 54.0458 46.3054 94.2059 H 1 SER 0.0606
165
+ 153 H61 52.2627 45.0871 95.0321 H 1 SER 0.2097
166
+ 154 H62 55.3691 47.7788 92.3247 H 1 GLN 0.1883
167
+ 155 H63 55.2405 46.6870 89.6330 H 1 GLN 0.0801
168
+ 156 H64 57.6597 46.8308 89.6615 H 1 GLN 0.0337
169
+ 157 H65 57.6488 47.1190 91.4345 H 1 GLN 0.0337
170
+ 158 H66 56.6020 49.3025 91.0804 H 1 GLN 0.0504
171
+ 159 H67 56.5868 49.0141 89.3075 H 1 GLN 0.0504
172
+ 160 H68 60.2394 49.5839 91.2141 H 1 GLN 0.1814
173
+ 161 H69 58.8633 49.1475 92.1712 H 1 GLN 0.1814
174
+ 162 H70 56.7984 44.8600 89.1014 H 1 LYS 0.1883
175
+ 163 H71 56.7491 42.7697 91.2162 H 1 LYS 0.0800
176
+ 164 H72 56.5522 41.3142 88.9421 H 1 LYS 0.0312
177
+ 165 H73 55.6520 42.7881 88.4484 H 1 LYS 0.0312
178
+ 166 H74 54.0748 42.5113 90.2359 H 1 LYS 0.0269
179
+ 167 H75 55.0507 41.1930 90.9683 H 1 LYS 0.0269
180
+ 168 H76 54.0260 41.0753 88.1024 H 1 LYS 0.0317
181
+ 169 H77 53.0322 40.5208 89.4922 H 1 LYS 0.0317
182
+ 170 H78 54.0678 38.6376 88.3855 H 1 LYS 0.0813
183
+ 171 H79 54.7314 38.8390 90.0425 H 1 LYS 0.0813
184
+ 172 H80 56.3808 38.2365 88.4816 H 1 LYS 0.1994
185
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+ $$$$
1tet/1tet_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1tet/1tet_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1yk7/1yk7_ligand.mol2 ADDED
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1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:52 2018
3
+ ###
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1yk7/1yk7_ligand.sdf ADDED
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+ $$$$
1yk7/1yk7_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1yk7/1yk7_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2c68/2c68_ligand.mol2 ADDED
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1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:52 2018
3
+ ###
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+
5
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2c68/2c68_ligand.sdf ADDED
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+ $$$$
2c68/2c68_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2c68/2c68_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff