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1 Parent(s): 312f90b

Add batch 65

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  1. 1ajx/1ajx_ligand.mol2 +168 -0
  2. 1ajx/1ajx_ligand.sdf +158 -0
  3. 1ajx/1ajx_protein_esmfold_aligned_tr_fix.pdb +0 -0
  4. 1ajx/1ajx_protein_processed_fix.pdb +0 -0
  5. 1bo5/1bo5_ligand.mol2 +76 -0
  6. 1bo5/1bo5_ligand.sdf +74 -0
  7. 1bo5/1bo5_protein_esmfold_aligned_tr_fix.pdb +0 -0
  8. 1bo5/1bo5_protein_processed_fix.pdb +0 -0
  9. 1ecq/1ecq_ligand.mol2 +57 -0
  10. 1ecq/1ecq_ligand.sdf +51 -0
  11. 1ecq/1ecq_protein_esmfold_aligned_tr_fix.pdb +0 -0
  12. 1ecq/1ecq_protein_processed_fix.pdb +0 -0
  13. 1jyc/1jyc_ligand.mol2 +489 -0
  14. 1jyc/1jyc_ligand.sdf +477 -0
  15. 1jyc/1jyc_protein_esmfold_aligned_tr_fix.pdb +0 -0
  16. 1jyc/1jyc_protein_processed_fix.pdb +0 -0
  17. 1o3b/1o3b_ligand.mol2 +103 -0
  18. 1o3b/1o3b_ligand.sdf +89 -0
  19. 1o3b/1o3b_protein_esmfold_aligned_tr_fix.pdb +0 -0
  20. 1o3b/1o3b_protein_processed_fix.pdb +0 -0
  21. 1o5p/1o5p_ligand.mol2 +186 -0
  22. 1o5p/1o5p_ligand.sdf +176 -0
  23. 1o5p/1o5p_protein_esmfold_aligned_tr_fix.pdb +785 -0
  24. 1o5p/1o5p_protein_processed_fix.pdb +0 -0
  25. 1riw/1riw_ligand.mol2 +196 -0
  26. 1riw/1riw_ligand.sdf +184 -0
  27. 1riw/1riw_protein_esmfold_aligned_tr_fix.pdb +0 -0
  28. 1riw/1riw_protein_processed_fix.pdb +0 -0
  29. 1uk1/1uk1_ligand.mol2 +127 -0
  30. 1uk1/1uk1_ligand.sdf +117 -0
  31. 1uk1/1uk1_protein_esmfold_aligned_tr_fix.pdb +0 -0
  32. 1uk1/1uk1_protein_processed_fix.pdb +0 -0
  33. 1xlz/1xlz_ligand.mol2 +105 -0
  34. 1xlz/1xlz_ligand.sdf +95 -0
  35. 1xlz/1xlz_protein_esmfold_aligned_tr_fix.pdb +0 -0
  36. 1xlz/1xlz_protein_processed_fix.pdb +0 -0
  37. 1y20/1y20_ligand.mol2 +44 -0
  38. 1y20/1y20_ligand.sdf +36 -0
  39. 1y20/1y20_protein_esmfold_aligned_tr_fix.pdb +0 -0
  40. 1y20/1y20_protein_processed_fix.pdb +0 -0
  41. 1zgv/1zgv_ligand.mol2 +110 -0
  42. 1zgv/1zgv_ligand.sdf +98 -0
  43. 1zgv/1zgv_protein_esmfold_aligned_tr_fix.pdb +0 -0
  44. 1zgv/1zgv_protein_processed_fix.pdb +0 -0
  45. 2a4m/2a4m_protein_esmfold_aligned_tr_fix.pdb +0 -0
  46. 2a4m/2a4m_protein_processed_fix.pdb +0 -0
  47. 2c1a/2c1a_protein_esmfold_aligned_tr_fix.pdb +0 -0
  48. 2c1a/2c1a_protein_processed_fix.pdb +0 -0
  49. 2clf/2clf_ligand.mol2 +76 -0
  50. 2clf/2clf_ligand.sdf +70 -0
1ajx/1ajx_ligand.mol2 ADDED
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1ajx/1ajx_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1ajx/1ajx_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1bo5/1bo5_ligand.mol2 ADDED
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+ ###
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+ $$$$
1bo5/1bo5_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1bo5/1bo5_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1ecq/1ecq_ligand.mol2 ADDED
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1
+ ###
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+ ### Created by X-TOOL on Mon Sep 10 21:12:47 2018
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+ ###
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51
+ $$$$
1ecq/1ecq_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1ecq/1ecq_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1jyc/1jyc_ligand.mol2 ADDED
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1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:49 2018
3
+ ###
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5
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+ 234 239 1 0 0
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14
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15
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16
+ 4 O 63.8390 22.2980 126.8660 O.2 1 ARG -0.3907
17
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18
+ 6 CG 62.4970 22.6460 129.5530 C.3 1 ARG -0.0125
19
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21
+ 9 CZ 62.2190 25.5240 131.9350 C.cat 1 ARG 0.2882
22
+ 10 NH1 63.4010 25.6450 132.5340 N.pl3 1 ARG -0.2849
23
+ 11 NH2 61.2520 26.4020 132.1930 N.pl3 1 ARG -0.2849
24
+ 12 N 62.6360 22.5090 124.9490 N.am 1 VAL -0.2608
25
+ 13 CA 63.8240 22.3730 124.1180 C.3 1 VAL 0.1334
26
+ 14 C 64.4960 23.6290 124.6260 C.2 1 VAL 0.2042
27
+ 15 O 64.0080 24.7540 124.3980 O.2 1 VAL -0.3944
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30
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32
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46
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47
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54
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55
+ 43 CZ 69.2040 29.8050 125.8830 C.ar 1 TYR 0.0805
56
+ 44 OH 69.6770 30.5710 126.9340 O.3 1 TYR -0.3376
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+ 45 N 70.5090 26.4880 121.8940 N.am 1 PRO -0.2497
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+ 47 C 72.1930 28.2920 121.5720 C.2 1 PRO 0.2042
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+ 48 O 72.7140 28.7870 122.5740 O.2 1 PRO -0.3944
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+ 51 CD 69.6660 26.4140 120.6980 C.3 1 PRO 0.0369
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66
+ 54 C 71.6590 31.4090 121.3460 C.2 1 TYR 0.2055
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70
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71
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72
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73
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+ 63 OH 77.1080 29.6970 117.2290 O.3 1 TYR -0.3376
76
+ 64 N 72.2330 31.2620 122.5370 N.am 1 GLY -0.2663
77
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78
+ 66 C 73.2650 32.0520 124.5030 C.2 1 GLY 0.2008
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+ 67 O 73.7310 30.9800 124.8540 O.2 1 GLY -0.3947
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+ 68 N 73.8300 33.1940 124.8500 N.am 1 SER -0.2618
81
+ 69 CA 75.1210 33.2570 125.5720 C.3 1 SER 0.1539
82
+ 70 C 75.1820 32.4680 126.9310 C.2 1 SER 0.2063
83
+ 71 O 74.4040 31.5190 127.1100 O.2 1 SER -0.3943
84
+ 72 CB 75.5030 34.7260 125.8170 C.3 1 SER 0.0843
85
+ 73 OG 76.9100 34.8780 125.9060 O.3 1 SER -0.3903
86
+ 74 N 76.1300 32.8400 127.8540 N.am 1 TYR -0.2621
87
+ 75 CA 76.3500 32.1500 129.1560 C.3 1 TYR 0.1390
88
+ 76 C 76.3730 33.0830 130.3730 C.2 1 TYR 0.2057
89
+ 77 O 75.9670 34.2350 130.2540 O.2 1 TYR -0.3942
90
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91
+ 79 CG 78.8170 32.0950 128.4070 C.ar 1 TYR -0.0493
92
+ 80 CD1 80.0960 32.1910 128.9990 C.ar 1 TYR -0.0685
93
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+ 82 CE1 81.1710 32.7640 128.3200 C.ar 1 TYR -0.0398
95
+ 83 CE2 79.7320 33.2230 126.4670 C.ar 1 TYR -0.0398
96
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97
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98
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99
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100
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101
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102
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103
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104
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105
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106
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107
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108
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109
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110
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111
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112
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113
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115
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136
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138
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139
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140
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141
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142
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143
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144
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145
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146
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147
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148
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149
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150
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151
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152
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153
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154
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155
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156
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158
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163
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164
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165
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166
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167
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168
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169
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170
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171
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173
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190
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192
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193
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194
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195
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+ M END
477
+ $$$$
1jyc/1jyc_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1jyc/1jyc_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1o3b/1o3b_ligand.mol2 ADDED
@@ -0,0 +1,103 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:49 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 1o3b_ligand
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+ 42 45 1 0 0
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+ SMALL
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+ GAST_HUCK
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+
11
+
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+ @<TRIPOS>ATOM
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+ 1 C1 44.3240 -2.9170 26.5310 C.ar 1 780 0.0108
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+ 4 C4 44.3040 -1.3040 28.8230 C.ar 1 780 0.0805
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+ 5.1780 4.9380 3.4670 C 0 0 0 0 0
35
+ 5.9740 5.9420 4.0070 O 0 0 0 0 0
36
+ 5.7370 3.6920 3.1610 C 0 0 0 0 0
37
+ 4.9380 2.6800 2.6180 C 0 0 0 0 0
38
+ 3.5760 2.9100 2.3870 C 0 0 0 0 0
39
+ 3.0100 4.1550 2.6980 C 0 0 0 0 0
40
+ 1.6410 4.3750 2.4680 C 0 0 0 0 0
41
+ 0.8510 3.3580 1.9190 C 0 0 0 0 0
42
+ -0.5000 3.5800 1.6840 O 0 0 0 0 0
43
+ -0.8270 4.8240 1.0840 C 0 0 0 0 0
44
+ 1.4220 2.1190 1.6040 C 0 0 0 0 0
45
+ 2.7830 1.8960 1.8400 C 0 0 0 0 0
46
+ 3.4030 0.5560 1.4930 C 0 0 0 0 0
47
+ -0.4350 11.5790 -3.5860 C 0 0 0 0 0
48
+ -0.4070 11.8880 -4.9690 O 0 0 0 0 0
49
+ 0.2400 13.0410 -5.0670 C 0 0 0 0 0
50
+ 0.4270 13.5650 -6.1470 O 0 0 0 0 0
51
+ 0.6760 13.6050 -3.9480 O 0 0 0 0 0
52
+ 0.2880 12.7310 -2.9010 C 0 0 0 0 0
53
+ 2.2043 10.3968 -4.8635 H 0 0 0 0 0
54
+ 4.7353 7.7582 -1.2390 H 0 0 0 0 0
55
+ 4.4598 7.4179 1.3256 H 0 0 0 0 0
56
+ 2.8179 8.8267 3.1936 H 0 0 0 0 0
57
+ 0.5455 9.1568 1.8918 H 0 0 0 0 0
58
+ 5.2577 8.7707 3.5026 H 0 0 0 0 0
59
+ 7.0016 10.4493 3.8216 H 0 0 0 0 0
60
+ 4.4196 11.2015 2.8287 H 0 0 0 0 0
61
+ 5.6241 12.4396 3.1989 H 0 0 0 0 0
62
+ 4.3599 10.5833 5.0567 H 0 0 0 0 0
63
+ 5.5741 11.8314 5.4298 H 0 0 0 0 0
64
+ 3.9554 12.3063 4.8595 H 0 0 0 0 0
65
+ 6.3921 11.2743 0.9470 H 0 0 0 0 0
66
+ 8.1544 12.7175 1.3728 H 0 0 0 0 0
67
+ 8.6889 10.5214 0.4794 H 0 0 0 0 0
68
+ 9.7955 9.3593 2.1500 H 0 0 0 0 0
69
+ 6.9274 8.8739 0.1413 H 0 0 0 0 0
70
+ 9.2591 7.6573 1.6889 H 0 0 0 0 0
71
+ 8.1931 6.7847 0.5604 H 0 0 0 0 0
72
+ 9.2655 8.0720 -0.0429 H 0 0 0 0 0
73
+ 6.8734 5.6198 4.1014 H 0 0 0 0 0
74
+ 6.7957 3.5099 3.3459 H 0 0 0 0 0
75
+ 5.3758 1.7119 2.3746 H 0 0 0 0 0
76
+ 1.1944 5.3376 2.7171 H 0 0 0 0 0
77
+ -0.4922 5.6363 1.7291 H 0 0 0 0 0
78
+ -0.3325 4.9000 0.1156 H 0 0 0 0 0
79
+ -1.9066 4.8877 0.9481 H 0 0 0 0 0
80
+ 0.8064 1.3283 1.1750 H 0 0 0 0 0
81
+ 4.1924 0.7024 0.7557 H 0 0 0 0 0
82
+ 3.8234 0.1076 2.3932 H 0 0 0 0 0
83
+ 2.6372 -0.1016 1.0816 H 0 0 0 0 0
84
+ -1.4534 11.4602 -3.2161 H 0 0 0 0 0
85
+ 1.1486 12.3818 -2.3304 H 0 0 0 0 0
86
+ -0.3533 13.2329 -2.1765 H 0 0 0 0 0
87
+ 1 2 1 0 0 0
88
+ 1 10 1 0 0 0
89
+ 1 15 2 0 0 0
90
+ 2 3 3 0 0 0
91
+ 3 4 1 0 0 0
92
+ 4 5 1 0 0 0
93
+ 4 6 1 0 0 0
94
+ 4 43 1 0 0 0
95
+ 5 6 1 0 0 0
96
+ 6 7 1 0 0 0
97
+ 7 8 3 0 0 0
98
+ 8 9 1 0 0 0
99
+ 9 10 2 0 0 0
100
+ 10 11 1 0 0 0
101
+ 11 12 1 0 0 0
102
+ 11 13 1 0 0 0
103
+ 12 16 1 0 0 0
104
+ 13 14 1 0 0 0
105
+ 13 15 1 0 0 0
106
+ 14 27 1 0 0 0
107
+ 16 17 1 0 0 0
108
+ 16 18 1 0 0 0
109
+ 17 25 1 0 0 0
110
+ 18 19 1 0 0 0
111
+ 18 21 1 0 0 0
112
+ 19 20 1 0 0 0
113
+ 21 22 1 0 0 0
114
+ 21 23 1 0 0 0
115
+ 23 24 1 0 0 0
116
+ 23 25 1 0 0 0
117
+ 25 26 1 0 0 0
118
+ 27 28 2 0 0 0
119
+ 27 29 1 0 0 0
120
+ 29 30 4 0 0 0
121
+ 29 35 4 0 0 0
122
+ 30 31 1 0 0 0
123
+ 30 32 4 0 0 0
124
+ 32 33 4 0 0 0
125
+ 33 34 4 0 0 0
126
+ 34 35 4 0 0 0
127
+ 34 41 4 0 0 0
128
+ 35 36 4 0 0 0
129
+ 36 37 4 0 0 0
130
+ 37 38 1 0 0 0
131
+ 37 40 4 0 0 0
132
+ 38 39 1 0 0 0
133
+ 40 41 4 0 0 0
134
+ 41 42 1 0 0 0
135
+ 43 44 1 0 0 0
136
+ 43 48 1 0 0 0
137
+ 44 45 1 0 0 0
138
+ 45 46 2 0 0 0
139
+ 45 47 1 0 0 0
140
+ 47 48 1 0 0 0
141
+ 6 49 1 0 0 0
142
+ 9 50 1 0 0 0
143
+ 11 51 1 0 0 0
144
+ 13 52 1 0 0 0
145
+ 15 53 1 0 0 0
146
+ 16 54 1 0 0 0
147
+ 18 55 1 0 0 0
148
+ 19 56 1 0 0 0
149
+ 19 57 1 0 0 0
150
+ 20 58 1 0 0 0
151
+ 20 59 1 0 0 0
152
+ 20 60 1 0 0 0
153
+ 21 61 1 0 0 0
154
+ 22 62 1 0 0 0
155
+ 23 63 1 0 0 0
156
+ 24 64 1 0 0 0
157
+ 25 65 1 0 0 0
158
+ 26 66 1 0 0 0
159
+ 26 67 1 0 0 0
160
+ 26 68 1 0 0 0
161
+ 31 69 1 0 0 0
162
+ 32 70 1 0 0 0
163
+ 33 71 1 0 0 0
164
+ 36 72 1 0 0 0
165
+ 39 73 1 0 0 0
166
+ 39 74 1 0 0 0
167
+ 39 75 1 0 0 0
168
+ 40 76 1 0 0 0
169
+ 42 77 1 0 0 0
170
+ 42 78 1 0 0 0
171
+ 42 79 1 0 0 0
172
+ 43 80 1 0 0 0
173
+ 48 81 1 0 0 0
174
+ 48 82 1 0 0 0
175
+ M END
176
+ $$$$
1o5p/1o5p_protein_esmfold_aligned_tr_fix.pdb ADDED
@@ -0,0 +1,785 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ REMARK 1 CREATED WITH OPENMM 8.0, 2023-02-20
2
+ ATOM 1 N ALA A 1 5.060 -2.097 21.429 1.00 0.00 N
3
+ ATOM 2 CA ALA A 1 5.336 -2.963 20.286 1.00 0.00 C
4
+ ATOM 3 C ALA A 1 5.216 -2.194 18.973 1.00 0.00 C
5
+ ATOM 4 CB ALA A 1 4.388 -4.161 20.286 1.00 0.00 C
6
+ ATOM 5 O ALA A 1 4.340 -1.339 18.825 1.00 0.00 O
7
+ ATOM 6 N ALA A 2 6.159 -2.363 18.044 1.00 0.00 N
8
+ ATOM 7 CA ALA A 2 6.124 -1.691 16.747 1.00 0.00 C
9
+ ATOM 8 C ALA A 2 4.897 -2.109 15.944 1.00 0.00 C
10
+ ATOM 9 CB ALA A 2 7.399 -1.986 15.960 1.00 0.00 C
11
+ ATOM 10 O ALA A 2 4.490 -3.274 15.981 1.00 0.00 O
12
+ ATOM 11 N PRO A 3 4.149 -1.133 15.319 1.00 0.00 N
13
+ ATOM 12 CA PRO A 3 2.995 -1.483 14.489 1.00 0.00 C
14
+ ATOM 13 C PRO A 3 3.336 -2.498 13.400 1.00 0.00 C
15
+ ATOM 14 CB PRO A 3 2.580 -0.143 13.876 1.00 0.00 C
16
+ ATOM 15 O PRO A 3 4.468 -2.526 12.910 1.00 0.00 O
17
+ ATOM 16 CG PRO A 3 3.796 0.720 13.988 1.00 0.00 C
18
+ ATOM 17 CD PRO A 3 4.626 0.228 15.139 1.00 0.00 C
19
+ ATOM 18 N THR A 4 2.418 -3.371 13.022 1.00 0.00 N
20
+ ATOM 19 CA THR A 4 2.581 -4.390 11.990 1.00 0.00 C
21
+ ATOM 20 C THR A 4 1.441 -4.320 10.978 1.00 0.00 C
22
+ ATOM 21 CB THR A 4 2.642 -5.801 12.601 1.00 0.00 C
23
+ ATOM 22 O THR A 4 0.361 -3.813 11.285 1.00 0.00 O
24
+ ATOM 23 CG2 THR A 4 3.801 -5.923 13.586 1.00 0.00 C
25
+ ATOM 24 OG1 THR A 4 1.415 -6.071 13.290 1.00 0.00 O
26
+ ATOM 25 N ALA A 5 1.661 -4.817 9.821 1.00 0.00 N
27
+ ATOM 26 CA ALA A 5 0.657 -4.923 8.765 1.00 0.00 C
28
+ ATOM 27 C ALA A 5 0.636 -6.327 8.168 1.00 0.00 C
29
+ ATOM 28 CB ALA A 5 0.920 -3.888 7.675 1.00 0.00 C
30
+ ATOM 29 O ALA A 5 1.663 -7.009 8.135 1.00 0.00 O
31
+ ATOM 30 N THR A 6 -0.525 -6.814 7.786 1.00 0.00 N
32
+ ATOM 31 CA THR A 6 -0.701 -8.045 7.025 1.00 0.00 C
33
+ ATOM 32 C THR A 6 -1.556 -7.797 5.785 1.00 0.00 C
34
+ ATOM 33 CB THR A 6 -1.347 -9.148 7.885 1.00 0.00 C
35
+ ATOM 34 O THR A 6 -2.423 -6.920 5.787 1.00 0.00 O
36
+ ATOM 35 CG2 THR A 6 -0.488 -9.470 9.102 1.00 0.00 C
37
+ ATOM 36 OG1 THR A 6 -2.637 -8.706 8.326 1.00 0.00 O
38
+ ATOM 37 N VAL A 7 -1.231 -8.501 4.739 1.00 0.00 N
39
+ ATOM 38 CA VAL A 7 -1.962 -8.496 3.476 1.00 0.00 C
40
+ ATOM 39 C VAL A 7 -2.314 -9.927 3.077 1.00 0.00 C
41
+ ATOM 40 CB VAL A 7 -1.148 -7.815 2.351 1.00 0.00 C
42
+ ATOM 41 O VAL A 7 -1.435 -10.786 2.983 1.00 0.00 O
43
+ ATOM 42 CG1 VAL A 7 -1.897 -7.891 1.022 1.00 0.00 C
44
+ ATOM 43 CG2 VAL A 7 -0.848 -6.363 2.717 1.00 0.00 C
45
+ ATOM 44 N THR A 8 -3.652 -10.088 2.917 1.00 0.00 N
46
+ ATOM 45 CA THR A 8 -4.099 -11.435 2.576 1.00 0.00 C
47
+ ATOM 46 C THR A 8 -5.049 -11.405 1.383 1.00 0.00 C
48
+ ATOM 47 CB THR A 8 -4.793 -12.113 3.772 1.00 0.00 C
49
+ ATOM 48 O THR A 8 -6.072 -10.716 1.415 1.00 0.00 O
50
+ ATOM 49 CG2 THR A 8 -5.150 -13.561 3.452 1.00 0.00 C
51
+ ATOM 50 OG1 THR A 8 -3.914 -12.087 4.904 1.00 0.00 O
52
+ ATOM 51 N PRO A 9 -4.810 -12.237 0.274 1.00 0.00 N
53
+ ATOM 52 CA PRO A 9 -3.539 -12.903 -0.017 1.00 0.00 C
54
+ ATOM 53 C PRO A 9 -2.446 -11.928 -0.448 1.00 0.00 C
55
+ ATOM 54 CB PRO A 9 -3.896 -13.862 -1.155 1.00 0.00 C
56
+ ATOM 55 O PRO A 9 -2.746 -10.810 -0.876 1.00 0.00 O
57
+ ATOM 56 CG PRO A 9 -4.993 -13.176 -1.903 1.00 0.00 C
58
+ ATOM 57 CD PRO A 9 -5.838 -12.418 -0.920 1.00 0.00 C
59
+ ATOM 58 N SER A 10 -1.120 -12.340 -0.283 1.00 0.00 N
60
+ ATOM 59 CA SER A 10 -0.033 -11.436 -0.645 1.00 0.00 C
61
+ ATOM 60 C SER A 10 0.771 -11.983 -1.819 1.00 0.00 C
62
+ ATOM 61 CB SER A 10 0.890 -11.202 0.551 1.00 0.00 C
63
+ ATOM 62 O SER A 10 1.702 -11.331 -2.297 1.00 0.00 O
64
+ ATOM 63 OG SER A 10 1.423 -12.428 1.023 1.00 0.00 O
65
+ ATOM 64 N SER A 11 0.390 -13.193 -2.248 1.00 0.00 N
66
+ ATOM 65 CA SER A 11 1.109 -13.822 -3.352 1.00 0.00 C
67
+ ATOM 66 C SER A 11 0.150 -14.518 -4.311 1.00 0.00 C
68
+ ATOM 67 CB SER A 11 2.131 -14.828 -2.821 1.00 0.00 C
69
+ ATOM 68 O SER A 11 -0.986 -14.828 -3.945 1.00 0.00 O
70
+ ATOM 69 OG SER A 11 1.484 -15.910 -2.175 1.00 0.00 O
71
+ ATOM 70 N GLY A 12 0.740 -14.782 -5.530 1.00 0.00 N
72
+ ATOM 71 CA GLY A 12 -0.077 -15.436 -6.538 1.00 0.00 C
73
+ ATOM 72 C GLY A 12 -1.243 -14.585 -7.004 1.00 0.00 C
74
+ ATOM 73 O GLY A 12 -2.299 -15.111 -7.363 1.00 0.00 O
75
+ ATOM 74 N LEU A 13 -1.060 -13.222 -6.915 1.00 0.00 N
76
+ ATOM 75 CA LEU A 13 -2.146 -12.289 -7.190 1.00 0.00 C
77
+ ATOM 76 C LEU A 13 -2.371 -12.143 -8.691 1.00 0.00 C
78
+ ATOM 77 CB LEU A 13 -1.847 -10.920 -6.571 1.00 0.00 C
79
+ ATOM 78 O LEU A 13 -1.425 -12.231 -9.476 1.00 0.00 O
80
+ ATOM 79 CG LEU A 13 -1.725 -10.878 -5.047 1.00 0.00 C
81
+ ATOM 80 CD1 LEU A 13 -1.067 -9.575 -4.605 1.00 0.00 C
82
+ ATOM 81 CD2 LEU A 13 -3.093 -11.039 -4.396 1.00 0.00 C
83
+ ATOM 82 N SER A 14 -3.572 -11.977 -9.119 1.00 0.00 N
84
+ ATOM 83 CA SER A 14 -3.947 -11.496 -10.444 1.00 0.00 C
85
+ ATOM 84 C SER A 14 -4.256 -10.003 -10.423 1.00 0.00 C
86
+ ATOM 85 CB SER A 14 -5.158 -12.267 -10.971 1.00 0.00 C
87
+ ATOM 86 O SER A 14 -4.585 -9.445 -9.374 1.00 0.00 O
88
+ ATOM 87 OG SER A 14 -4.873 -13.653 -11.057 1.00 0.00 O
89
+ ATOM 88 N ASP A 15 -4.171 -9.447 -11.624 1.00 0.00 N
90
+ ATOM 89 CA ASP A 15 -4.523 -8.034 -11.717 1.00 0.00 C
91
+ ATOM 90 C ASP A 15 -5.951 -7.789 -11.237 1.00 0.00 C
92
+ ATOM 91 CB ASP A 15 -4.356 -7.533 -13.154 1.00 0.00 C
93
+ ATOM 92 O ASP A 15 -6.875 -8.502 -11.635 1.00 0.00 O
94
+ ATOM 93 CG ASP A 15 -4.509 -6.027 -13.279 1.00 0.00 C
95
+ ATOM 94 OD1 ASP A 15 -3.811 -5.282 -12.558 1.00 0.00 O
96
+ ATOM 95 OD2 ASP A 15 -5.336 -5.582 -14.103 1.00 0.00 O
97
+ ATOM 96 N GLY A 16 -6.075 -6.848 -10.324 1.00 0.00 N
98
+ ATOM 97 CA GLY A 16 -7.399 -6.463 -9.862 1.00 0.00 C
99
+ ATOM 98 C GLY A 16 -7.852 -7.237 -8.638 1.00 0.00 C
100
+ ATOM 99 O GLY A 16 -8.989 -7.083 -8.187 1.00 0.00 O
101
+ ATOM 100 N THR A 17 -7.040 -8.112 -8.165 1.00 0.00 N
102
+ ATOM 101 CA THR A 17 -7.379 -8.849 -6.953 1.00 0.00 C
103
+ ATOM 102 C THR A 17 -7.686 -7.891 -5.805 1.00 0.00 C
104
+ ATOM 103 CB THR A 17 -6.241 -9.801 -6.541 1.00 0.00 C
105
+ ATOM 104 O THR A 17 -6.978 -6.902 -5.609 1.00 0.00 O
106
+ ATOM 105 CG2 THR A 17 -6.551 -10.486 -5.214 1.00 0.00 C
107
+ ATOM 106 OG1 THR A 17 -6.072 -10.801 -7.554 1.00 0.00 O
108
+ ATOM 107 N VAL A 18 -8.731 -8.102 -5.084 1.00 0.00 N
109
+ ATOM 108 CA VAL A 18 -9.027 -7.394 -3.843 1.00 0.00 C
110
+ ATOM 109 C VAL A 18 -8.403 -8.135 -2.664 1.00 0.00 C
111
+ ATOM 110 CB VAL A 18 -10.550 -7.239 -3.629 1.00 0.00 C
112
+ ATOM 111 O VAL A 18 -8.716 -9.302 -2.417 1.00 0.00 O
113
+ ATOM 112 CG1 VAL A 18 -10.840 -6.538 -2.303 1.00 0.00 C
114
+ ATOM 113 CG2 VAL A 18 -11.177 -6.471 -4.791 1.00 0.00 C
115
+ ATOM 114 N VAL A 19 -7.528 -7.480 -1.928 1.00 0.00 N
116
+ ATOM 115 CA VAL A 19 -6.867 -8.078 -0.774 1.00 0.00 C
117
+ ATOM 116 C VAL A 19 -7.369 -7.417 0.508 1.00 0.00 C
118
+ ATOM 117 CB VAL A 19 -5.329 -7.951 -0.871 1.00 0.00 C
119
+ ATOM 118 O VAL A 19 -7.858 -6.285 0.481 1.00 0.00 O
120
+ ATOM 119 CG1 VAL A 19 -4.813 -8.615 -2.146 1.00 0.00 C
121
+ ATOM 120 CG2 VAL A 19 -4.911 -6.483 -0.823 1.00 0.00 C
122
+ ATOM 121 N LYS A 20 -7.247 -8.103 1.604 1.00 0.00 N
123
+ ATOM 122 CA LYS A 20 -7.461 -7.536 2.933 1.00 0.00 C
124
+ ATOM 123 C LYS A 20 -6.157 -6.997 3.515 1.00 0.00 C
125
+ ATOM 124 CB LYS A 20 -8.062 -8.582 3.872 1.00 0.00 C
126
+ ATOM 125 O LYS A 20 -5.145 -7.700 3.542 1.00 0.00 O
127
+ ATOM 126 CG LYS A 20 -8.468 -8.032 5.231 1.00 0.00 C
128
+ ATOM 127 CD LYS A 20 -9.079 -9.114 6.112 1.00 0.00 C
129
+ ATOM 128 CE LYS A 20 -9.454 -8.572 7.485 1.00 0.00 C
130
+ ATOM 129 NZ LYS A 20 -10.084 -9.621 8.342 1.00 0.00 N
131
+ ATOM 130 N VAL A 21 -6.167 -5.783 3.940 1.00 0.00 N
132
+ ATOM 131 CA VAL A 21 -5.040 -5.138 4.607 1.00 0.00 C
133
+ ATOM 132 C VAL A 21 -5.386 -4.882 6.072 1.00 0.00 C
134
+ ATOM 133 CB VAL A 21 -4.650 -3.815 3.912 1.00 0.00 C
135
+ ATOM 134 O VAL A 21 -6.362 -4.191 6.375 1.00 0.00 O
136
+ ATOM 135 CG1 VAL A 21 -3.407 -3.210 4.562 1.00 0.00 C
137
+ ATOM 136 CG2 VAL A 21 -4.417 -4.045 2.420 1.00 0.00 C
138
+ ATOM 137 N ALA A 22 -4.671 -5.432 6.932 1.00 0.00 N
139
+ ATOM 138 CA ALA A 22 -4.894 -5.260 8.365 1.00 0.00 C
140
+ ATOM 139 C ALA A 22 -3.651 -4.699 9.050 1.00 0.00 C
141
+ ATOM 140 CB ALA A 22 -5.298 -6.585 9.004 1.00 0.00 C
142
+ ATOM 141 O ALA A 22 -2.526 -4.969 8.625 1.00 0.00 O
143
+ ATOM 142 N GLY A 23 -3.859 -3.872 9.996 1.00 0.00 N
144
+ ATOM 143 CA GLY A 23 -2.815 -3.328 10.848 1.00 0.00 C
145
+ ATOM 144 C GLY A 23 -3.075 -3.550 12.326 1.00 0.00 C
146
+ ATOM 145 O GLY A 23 -4.229 -3.618 12.755 1.00 0.00 O
147
+ ATOM 146 N ALA A 24 -2.025 -3.761 13.104 1.00 0.00 N
148
+ ATOM 147 CA ALA A 24 -2.059 -3.858 14.561 1.00 0.00 C
149
+ ATOM 148 C ALA A 24 -0.975 -2.990 15.194 1.00 0.00 C
150
+ ATOM 149 CB ALA A 24 -1.897 -5.312 15.001 1.00 0.00 C
151
+ ATOM 150 O ALA A 24 0.054 -2.718 14.570 1.00 0.00 O
152
+ ATOM 151 N GLY A 25 -1.175 -2.561 16.453 1.00 0.00 N
153
+ ATOM 152 CA GLY A 25 -0.225 -1.710 17.152 1.00 0.00 C
154
+ ATOM 153 C GLY A 25 -0.209 -0.283 16.637 1.00 0.00 C
155
+ ATOM 154 O GLY A 25 0.774 0.437 16.818 1.00 0.00 O
156
+ ATOM 155 N LEU A 26 -1.314 0.114 15.928 1.00 0.00 N
157
+ ATOM 156 CA LEU A 26 -1.455 1.459 15.381 1.00 0.00 C
158
+ ATOM 157 C LEU A 26 -1.937 2.433 16.451 1.00 0.00 C
159
+ ATOM 158 CB LEU A 26 -2.427 1.458 14.199 1.00 0.00 C
160
+ ATOM 159 O LEU A 26 -2.503 2.018 17.465 1.00 0.00 O
161
+ ATOM 160 CG LEU A 26 -2.079 0.527 13.036 1.00 0.00 C
162
+ ATOM 161 CD1 LEU A 26 -3.235 0.465 12.043 1.00 0.00 C
163
+ ATOM 162 CD2 LEU A 26 -0.800 0.989 12.346 1.00 0.00 C
164
+ ATOM 163 N GLN A 27 -1.664 3.750 16.272 1.00 0.00 N
165
+ ATOM 164 CA GLN A 27 -2.188 4.775 17.168 1.00 0.00 C
166
+ ATOM 165 C GLN A 27 -3.710 4.843 17.095 1.00 0.00 C
167
+ ATOM 166 CB GLN A 27 -1.586 6.141 16.831 1.00 0.00 C
168
+ ATOM 167 O GLN A 27 -4.277 5.082 16.028 1.00 0.00 O
169
+ ATOM 168 CG GLN A 27 -2.016 7.253 17.779 1.00 0.00 C
170
+ ATOM 169 CD GLN A 27 -1.317 8.570 17.495 1.00 0.00 C
171
+ ATOM 170 NE2 GLN A 27 -1.772 9.635 18.145 1.00 0.00 N
172
+ ATOM 171 OE1 GLN A 27 -0.375 8.628 16.698 1.00 0.00 O
173
+ ATOM 172 N ALA A 28 -4.316 4.677 18.186 1.00 0.00 N
174
+ ATOM 173 CA ALA A 28 -5.775 4.665 18.257 1.00 0.00 C
175
+ ATOM 174 C ALA A 28 -6.361 5.977 17.743 1.00 0.00 C
176
+ ATOM 175 CB ALA A 28 -6.236 4.406 19.689 1.00 0.00 C
177
+ ATOM 176 O ALA A 28 -5.849 7.056 18.053 1.00 0.00 O
178
+ ATOM 177 N GLY A 29 -7.447 5.890 16.997 1.00 0.00 N
179
+ ATOM 178 CA GLY A 29 -8.182 7.045 16.508 1.00 0.00 C
180
+ ATOM 179 C GLY A 29 -7.497 7.741 15.347 1.00 0.00 C
181
+ ATOM 180 O GLY A 29 -7.981 8.761 14.854 1.00 0.00 O
182
+ ATOM 181 N THR A 30 -6.413 7.227 14.879 1.00 0.00 N
183
+ ATOM 182 CA THR A 30 -5.642 7.828 13.795 1.00 0.00 C
184
+ ATOM 183 C THR A 30 -6.046 7.234 12.450 1.00 0.00 C
185
+ ATOM 184 CB THR A 30 -4.129 7.634 14.012 1.00 0.00 C
186
+ ATOM 185 O THR A 30 -6.252 6.024 12.336 1.00 0.00 O
187
+ ATOM 186 CG2 THR A 30 -3.328 8.220 12.855 1.00 0.00 C
188
+ ATOM 187 OG1 THR A 30 -3.739 8.284 15.228 1.00 0.00 O
189
+ ATOM 188 N ALA A 31 -6.224 8.031 11.444 1.00 0.00 N
190
+ ATOM 189 CA ALA A 31 -6.498 7.577 10.083 1.00 0.00 C
191
+ ATOM 190 C ALA A 31 -5.210 7.168 9.372 1.00 0.00 C
192
+ ATOM 191 CB ALA A 31 -7.215 8.668 9.292 1.00 0.00 C
193
+ ATOM 192 O ALA A 31 -4.195 7.861 9.467 1.00 0.00 O
194
+ ATOM 193 N TYR A 32 -5.235 6.098 8.758 1.00 0.00 N
195
+ ATOM 194 CA TYR A 32 -4.144 5.586 7.937 1.00 0.00 C
196
+ ATOM 195 C TYR A 32 -4.581 5.426 6.486 1.00 0.00 C
197
+ ATOM 196 CB TYR A 32 -3.646 4.244 8.482 1.00 0.00 C
198
+ ATOM 197 O TYR A 32 -5.663 4.900 6.212 1.00 0.00 O
199
+ ATOM 198 CG TYR A 32 -2.941 4.353 9.813 1.00 0.00 C
200
+ ATOM 199 CD1 TYR A 32 -1.552 4.426 9.885 1.00 0.00 C
201
+ ATOM 200 CD2 TYR A 32 -3.664 4.384 11.001 1.00 0.00 C
202
+ ATOM 201 CE1 TYR A 32 -0.899 4.524 11.109 1.00 0.00 C
203
+ ATOM 202 CE2 TYR A 32 -3.021 4.483 12.231 1.00 0.00 C
204
+ ATOM 203 OH TYR A 32 -0.999 4.651 13.489 1.00 0.00 O
205
+ ATOM 204 CZ TYR A 32 -1.640 4.553 12.274 1.00 0.00 C
206
+ ATOM 205 N ASP A 33 -3.759 5.921 5.585 1.00 0.00 N
207
+ ATOM 206 CA ASP A 33 -3.891 5.623 4.162 1.00 0.00 C
208
+ ATOM 207 C ASP A 33 -3.376 4.222 3.844 1.00 0.00 C
209
+ ATOM 208 CB ASP A 33 -3.144 6.662 3.324 1.00 0.00 C
210
+ ATOM 209 O ASP A 33 -2.367 3.784 4.402 1.00 0.00 O
211
+ ATOM 210 CG ASP A 33 -3.724 8.059 3.455 1.00 0.00 C
212
+ ATOM 211 OD1 ASP A 33 -4.948 8.193 3.673 1.00 0.00 O
213
+ ATOM 212 OD2 ASP A 33 -2.952 9.035 3.335 1.00 0.00 O
214
+ ATOM 213 N VAL A 34 -4.066 3.524 3.047 1.00 0.00 N
215
+ ATOM 214 CA VAL A 34 -3.721 2.180 2.593 1.00 0.00 C
216
+ ATOM 215 C VAL A 34 -3.544 2.175 1.077 1.00 0.00 C
217
+ ATOM 216 CB VAL A 34 -4.795 1.148 3.008 1.00 0.00 C
218
+ ATOM 217 O VAL A 34 -4.422 2.633 0.341 1.00 0.00 O
219
+ ATOM 218 CG1 VAL A 34 -4.395 -0.256 2.560 1.00 0.00 C
220
+ ATOM 219 CG2 VAL A 34 -5.018 1.188 4.518 1.00 0.00 C
221
+ ATOM 220 N GLY A 35 -2.411 1.669 0.639 1.00 0.00 N
222
+ ATOM 221 CA GLY A 35 -2.185 1.723 -0.797 1.00 0.00 C
223
+ ATOM 222 C GLY A 35 -1.077 0.797 -1.262 1.00 0.00 C
224
+ ATOM 223 O GLY A 35 -0.324 0.261 -0.447 1.00 0.00 O
225
+ ATOM 224 N GLN A 36 -1.005 0.607 -2.587 1.00 0.00 N
226
+ ATOM 225 CA GLN A 36 0.033 -0.132 -3.299 1.00 0.00 C
227
+ ATOM 226 C GLN A 36 1.133 0.803 -3.793 1.00 0.00 C
228
+ ATOM 227 CB GLN A 36 -0.568 -0.903 -4.476 1.00 0.00 C
229
+ ATOM 228 O GLN A 36 0.853 1.803 -4.458 1.00 0.00 O
230
+ ATOM 229 CG GLN A 36 0.438 -1.772 -5.218 1.00 0.00 C
231
+ ATOM 230 CD GLN A 36 -0.160 -2.454 -6.435 1.00 0.00 C
232
+ ATOM 231 NE2 GLN A 36 0.592 -3.374 -7.029 1.00 0.00 N
233
+ ATOM 232 OE1 GLN A 36 -1.290 -2.157 -6.836 1.00 0.00 O
234
+ ATOM 233 N CYS A 37 2.348 0.437 -3.380 1.00 0.00 N
235
+ ATOM 234 CA CYS A 37 3.524 1.207 -3.767 1.00 0.00 C
236
+ ATOM 235 C CYS A 37 4.639 0.291 -4.259 1.00 0.00 C
237
+ ATOM 236 CB CYS A 37 4.024 2.049 -2.594 1.00 0.00 C
238
+ ATOM 237 O CYS A 37 4.592 -0.921 -4.044 1.00 0.00 O
239
+ ATOM 238 SG CYS A 37 2.802 3.223 -1.968 1.00 0.00 S
240
+ ATOM 239 N ALA A 38 5.627 0.827 -4.890 1.00 0.00 N
241
+ ATOM 240 CA ALA A 38 6.834 0.125 -5.321 1.00 0.00 C
242
+ ATOM 241 C ALA A 38 8.078 0.979 -5.091 1.00 0.00 C
243
+ ATOM 242 CB ALA A 38 6.726 -0.265 -6.794 1.00 0.00 C
244
+ ATOM 243 O ALA A 38 8.044 2.199 -5.276 1.00 0.00 O
245
+ ATOM 244 N TRP A 39 9.111 0.313 -4.586 1.00 0.00 N
246
+ ATOM 245 CA TRP A 39 10.433 0.928 -4.633 1.00 0.00 C
247
+ ATOM 246 C TRP A 39 10.933 1.034 -6.070 1.00 0.00 C
248
+ ATOM 247 CB TRP A 39 11.430 0.127 -3.791 1.00 0.00 C
249
+ ATOM 248 O TRP A 39 11.171 0.018 -6.728 1.00 0.00 O
250
+ ATOM 249 CG TRP A 39 11.136 0.143 -2.321 1.00 0.00 C
251
+ ATOM 250 CD1 TRP A 39 10.519 -0.837 -1.593 1.00 0.00 C
252
+ ATOM 251 CD2 TRP A 39 11.441 1.194 -1.399 1.00 0.00 C
253
+ ATOM 252 CE2 TRP A 39 10.982 0.783 -0.129 1.00 0.00 C
254
+ ATOM 253 CE3 TRP A 39 12.061 2.444 -1.525 1.00 0.00 C
255
+ ATOM 254 NE1 TRP A 39 10.424 -0.458 -0.275 1.00 0.00 N
256
+ ATOM 255 CH2 TRP A 39 11.733 2.799 0.860 1.00 0.00 C
257
+ ATOM 256 CZ2 TRP A 39 11.123 1.580 1.010 1.00 0.00 C
258
+ ATOM 257 CZ3 TRP A 39 12.200 3.236 -0.391 1.00 0.00 C
259
+ ATOM 258 N VAL A 40 11.048 2.213 -6.624 1.00 0.00 N
260
+ ATOM 259 CA VAL A 40 11.391 2.381 -8.032 1.00 0.00 C
261
+ ATOM 260 C VAL A 40 12.811 2.928 -8.158 1.00 0.00 C
262
+ ATOM 261 CB VAL A 40 10.394 3.316 -8.753 1.00 0.00 C
263
+ ATOM 262 O VAL A 40 13.449 2.781 -9.202 1.00 0.00 O
264
+ ATOM 263 CG1 VAL A 40 9.041 2.631 -8.929 1.00 0.00 C
265
+ ATOM 264 CG2 VAL A 40 10.236 4.624 -7.979 1.00 0.00 C
266
+ ATOM 265 N ASP A 41 13.307 3.584 -7.193 1.00 0.00 N
267
+ ATOM 266 CA ASP A 41 14.675 4.068 -7.032 1.00 0.00 C
268
+ ATOM 267 C ASP A 41 15.137 3.933 -5.583 1.00 0.00 C
269
+ ATOM 268 CB ASP A 41 14.785 5.524 -7.487 1.00 0.00 C
270
+ ATOM 269 O ASP A 41 14.324 3.703 -4.685 1.00 0.00 O
271
+ ATOM 270 CG ASP A 41 14.468 5.712 -8.960 1.00 0.00 C
272
+ ATOM 271 OD1 ASP A 41 14.756 4.801 -9.767 1.00 0.00 O
273
+ ATOM 272 OD2 ASP A 41 13.928 6.781 -9.318 1.00 0.00 O
274
+ ATOM 273 N THR A 42 16.366 3.946 -5.471 1.00 0.00 N
275
+ ATOM 274 CA THR A 42 16.856 3.929 -4.097 1.00 0.00 C
276
+ ATOM 275 C THR A 42 16.190 5.026 -3.272 1.00 0.00 C
277
+ ATOM 276 CB THR A 42 18.385 4.103 -4.049 1.00 0.00 C
278
+ ATOM 277 O THR A 42 16.292 6.209 -3.603 1.00 0.00 O
279
+ ATOM 278 CG2 THR A 42 18.907 3.984 -2.620 1.00 0.00 C
280
+ ATOM 279 OG1 THR A 42 19.002 3.094 -4.857 1.00 0.00 O
281
+ ATOM 280 N GLY A 43 15.359 4.508 -2.334 1.00 0.00 N
282
+ ATOM 281 CA GLY A 43 14.729 5.412 -1.384 1.00 0.00 C
283
+ ATOM 282 C GLY A 43 13.500 6.103 -1.946 1.00 0.00 C
284
+ ATOM 283 O GLY A 43 12.934 6.991 -1.304 1.00 0.00 O
285
+ ATOM 284 N VAL A 44 13.097 5.690 -3.132 1.00 0.00 N
286
+ ATOM 285 CA VAL A 44 11.952 6.358 -3.742 1.00 0.00 C
287
+ ATOM 286 C VAL A 44 10.802 5.367 -3.905 1.00 0.00 C
288
+ ATOM 287 CB VAL A 44 12.319 6.978 -5.109 1.00 0.00 C
289
+ ATOM 288 O VAL A 44 10.970 4.305 -4.508 1.00 0.00 O
290
+ ATOM 289 CG1 VAL A 44 11.084 7.575 -5.781 1.00 0.00 C
291
+ ATOM 290 CG2 VAL A 44 13.403 8.040 -4.939 1.00 0.00 C
292
+ ATOM 291 N LEU A 45 9.726 5.704 -3.337 1.00 0.00 N
293
+ ATOM 292 CA LEU A 45 8.500 4.921 -3.451 1.00 0.00 C
294
+ ATOM 293 C LEU A 45 7.513 5.591 -4.401 1.00 0.00 C
295
+ ATOM 294 CB LEU A 45 7.855 4.732 -2.075 1.00 0.00 C
296
+ ATOM 295 O LEU A 45 7.222 6.781 -4.262 1.00 0.00 O
297
+ ATOM 296 CG LEU A 45 8.455 3.639 -1.189 1.00 0.00 C
298
+ ATOM 297 CD1 LEU A 45 7.971 3.796 0.248 1.00 0.00 C
299
+ ATOM 298 CD2 LEU A 45 8.102 2.258 -1.729 1.00 0.00 C
300
+ ATOM 299 N ALA A 46 7.017 4.940 -5.400 1.00 0.00 N
301
+ ATOM 300 CA ALA A 46 5.935 5.368 -6.283 1.00 0.00 C
302
+ ATOM 301 C ALA A 46 4.646 4.608 -5.979 1.00 0.00 C
303
+ ATOM 302 CB ALA A 46 6.332 5.173 -7.745 1.00 0.00 C
304
+ ATOM 303 O ALA A 46 4.649 3.376 -5.904 1.00 0.00 O
305
+ ATOM 304 N CYS A 47 3.601 5.333 -5.769 1.00 0.00 N
306
+ ATOM 305 CA CYS A 47 2.370 4.717 -5.289 1.00 0.00 C
307
+ ATOM 306 C CYS A 47 1.250 4.867 -6.311 1.00 0.00 C
308
+ ATOM 307 CB CYS A 47 1.943 5.337 -3.958 1.00 0.00 C
309
+ ATOM 308 O CYS A 47 1.271 5.786 -7.132 1.00 0.00 O
310
+ ATOM 309 SG CYS A 47 3.129 5.077 -2.621 1.00 0.00 S
311
+ ATOM 310 N ASN A 48 0.270 3.933 -6.264 1.00 0.00 N
312
+ ATOM 311 CA ASN A 48 -0.948 3.888 -7.067 1.00 0.00 C
313
+ ATOM 312 C ASN A 48 -2.071 4.700 -6.428 1.00 0.00 C
314
+ ATOM 313 CB ASN A 48 -1.395 2.440 -7.283 1.00 0.00 C
315
+ ATOM 314 O ASN A 48 -2.717 4.239 -5.485 1.00 0.00 O
316
+ ATOM 315 CG ASN A 48 -2.616 2.333 -8.173 1.00 0.00 C
317
+ ATOM 316 ND2 ASN A 48 -3.199 1.142 -8.240 1.00 0.00 N
318
+ ATOM 317 OD1 ASN A 48 -3.032 3.313 -8.798 1.00 0.00 O
319
+ ATOM 318 N PRO A 49 -2.436 5.858 -6.902 1.00 0.00 N
320
+ ATOM 319 CA PRO A 49 -3.493 6.638 -6.256 1.00 0.00 C
321
+ ATOM 320 C PRO A 49 -4.894 6.179 -6.655 1.00 0.00 C
322
+ ATOM 321 CB PRO A 49 -3.228 8.064 -6.743 1.00 0.00 C
323
+ ATOM 322 O PRO A 49 -5.877 6.547 -6.006 1.00 0.00 O
324
+ ATOM 323 CG PRO A 49 -2.546 7.897 -8.063 1.00 0.00 C
325
+ ATOM 324 CD PRO A 49 -1.661 6.685 -7.991 1.00 0.00 C
326
+ ATOM 325 N ALA A 50 -5.045 5.437 -7.669 1.00 0.00 N
327
+ ATOM 326 CA ALA A 50 -6.358 5.112 -8.221 1.00 0.00 C
328
+ ATOM 327 C ALA A 50 -7.133 4.191 -7.283 1.00 0.00 C
329
+ ATOM 328 CB ALA A 50 -6.213 4.465 -9.596 1.00 0.00 C
330
+ ATOM 329 O ALA A 50 -8.366 4.194 -7.279 1.00 0.00 O
331
+ ATOM 330 N ASP A 51 -6.461 3.374 -6.555 1.00 0.00 N
332
+ ATOM 331 CA ASP A 51 -7.135 2.374 -5.732 1.00 0.00 C
333
+ ATOM 332 C ASP A 51 -6.861 2.609 -4.248 1.00 0.00 C
334
+ ATOM 333 CB ASP A 51 -6.693 0.965 -6.131 1.00 0.00 C
335
+ ATOM 334 O ASP A 51 -7.090 1.724 -3.421 1.00 0.00 O
336
+ ATOM 335 CG ASP A 51 -7.143 0.575 -7.528 1.00 0.00 C
337
+ ATOM 336 OD1 ASP A 51 -8.365 0.510 -7.779 1.00 0.00 O
338
+ ATOM 337 OD2 ASP A 51 -6.266 0.329 -8.385 1.00 0.00 O
339
+ ATOM 338 N PHE A 52 -6.421 3.741 -3.897 1.00 0.00 N
340
+ ATOM 339 CA PHE A 52 -6.142 4.077 -2.506 1.00 0.00 C
341
+ ATOM 340 C PHE A 52 -7.373 3.857 -1.637 1.00 0.00 C
342
+ ATOM 341 CB PHE A 52 -5.670 5.530 -2.388 1.00 0.00 C
343
+ ATOM 342 O PHE A 52 -8.504 4.043 -2.094 1.00 0.00 O
344
+ ATOM 343 CG PHE A 52 -4.173 5.679 -2.320 1.00 0.00 C
345
+ ATOM 344 CD1 PHE A 52 -3.476 5.315 -1.175 1.00 0.00 C
346
+ ATOM 345 CD2 PHE A 52 -3.464 6.181 -3.404 1.00 0.00 C
347
+ ATOM 346 CE1 PHE A 52 -2.091 5.452 -1.110 1.00 0.00 C
348
+ ATOM 347 CE2 PHE A 52 -2.081 6.321 -3.345 1.00 0.00 C
349
+ ATOM 348 CZ PHE A 52 -1.396 5.956 -2.198 1.00 0.00 C
350
+ ATOM 349 N SER A 53 -7.152 3.447 -0.327 1.00 0.00 N
351
+ ATOM 350 CA SER A 53 -8.161 3.358 0.724 1.00 0.00 C
352
+ ATOM 351 C SER A 53 -7.683 4.030 2.007 1.00 0.00 C
353
+ ATOM 352 CB SER A 53 -8.516 1.898 1.004 1.00 0.00 C
354
+ ATOM 353 O SER A 53 -6.524 4.436 2.108 1.00 0.00 O
355
+ ATOM 354 OG SER A 53 -9.655 1.809 1.844 1.00 0.00 O
356
+ ATOM 355 N SER A 54 -8.624 4.179 2.922 1.00 0.00 N
357
+ ATOM 356 CA SER A 54 -8.319 4.724 4.241 1.00 0.00 C
358
+ ATOM 357 C SER A 54 -9.048 3.958 5.338 1.00 0.00 C
359
+ ATOM 358 CB SER A 54 -8.694 6.206 4.307 1.00 0.00 C
360
+ ATOM 359 O SER A 54 -10.117 3.392 5.103 1.00 0.00 O
361
+ ATOM 360 OG SER A 54 -8.399 6.742 5.586 1.00 0.00 O
362
+ ATOM 361 N VAL A 55 -8.412 3.896 6.435 1.00 0.00 N
363
+ ATOM 362 CA VAL A 55 -9.009 3.227 7.586 1.00 0.00 C
364
+ ATOM 363 C VAL A 55 -8.575 3.926 8.873 1.00 0.00 C
365
+ ATOM 364 CB VAL A 55 -8.626 1.731 7.637 1.00 0.00 C
366
+ ATOM 365 O VAL A 55 -7.464 4.457 8.954 1.00 0.00 O
367
+ ATOM 366 CG1 VAL A 55 -7.119 1.567 7.833 1.00 0.00 C
368
+ ATOM 367 CG2 VAL A 55 -9.393 1.021 8.750 1.00 0.00 C
369
+ ATOM 368 N THR A 56 -9.417 3.982 9.847 1.00 0.00 N
370
+ ATOM 369 CA THR A 56 -9.088 4.540 11.154 1.00 0.00 C
371
+ ATOM 370 C THR A 56 -8.866 3.428 12.176 1.00 0.00 C
372
+ ATOM 371 CB THR A 56 -10.198 5.484 11.653 1.00 0.00 C
373
+ ATOM 372 O THR A 56 -9.675 2.504 12.283 1.00 0.00 O
374
+ ATOM 373 CG2 THR A 56 -9.847 6.073 13.014 1.00 0.00 C
375
+ ATOM 374 OG1 THR A 56 -10.367 6.552 10.712 1.00 0.00 O
376
+ ATOM 375 N ALA A 57 -7.747 3.547 12.916 1.00 0.00 N
377
+ ATOM 376 CA ALA A 57 -7.460 2.556 13.951 1.00 0.00 C
378
+ ATOM 377 C ALA A 57 -8.471 2.645 15.090 1.00 0.00 C
379
+ ATOM 378 CB ALA A 57 -6.042 2.742 14.487 1.00 0.00 C
380
+ ATOM 379 O ALA A 57 -8.864 3.741 15.496 1.00 0.00 O
381
+ ATOM 380 N ASP A 58 -8.886 1.500 15.607 1.00 0.00 N
382
+ ATOM 381 CA ASP A 58 -9.850 1.463 16.702 1.00 0.00 C
383
+ ATOM 382 C ASP A 58 -9.156 1.639 18.051 1.00 0.00 C
384
+ ATOM 383 CB ASP A 58 -10.636 0.151 16.681 1.00 0.00 C
385
+ ATOM 384 O ASP A 58 -7.951 1.891 18.107 1.00 0.00 O
386
+ ATOM 385 CG ASP A 58 -9.762 -1.067 16.932 1.00 0.00 C
387
+ ATOM 386 OD1 ASP A 58 -8.637 -0.913 17.452 1.00 0.00 O
388
+ ATOM 387 OD2 ASP A 58 -10.204 -2.189 16.602 1.00 0.00 O
389
+ ATOM 388 N ALA A 59 -9.836 1.577 19.109 1.00 0.00 N
390
+ ATOM 389 CA ALA A 59 -9.341 1.865 20.452 1.00 0.00 C
391
+ ATOM 390 C ALA A 59 -8.224 0.903 20.843 1.00 0.00 C
392
+ ATOM 391 CB ALA A 59 -10.480 1.792 21.466 1.00 0.00 C
393
+ ATOM 392 O ALA A 59 -7.413 1.207 21.721 1.00 0.00 O
394
+ ATOM 393 N ASN A 60 -8.130 -0.211 20.195 1.00 0.00 N
395
+ ATOM 394 CA ASN A 60 -7.117 -1.216 20.501 1.00 0.00 C
396
+ ATOM 395 C ASN A 60 -5.926 -1.117 19.552 1.00 0.00 C
397
+ ATOM 396 CB ASN A 60 -7.722 -2.620 20.449 1.00 0.00 C
398
+ ATOM 397 O ASN A 60 -5.039 -1.973 19.571 1.00 0.00 O
399
+ ATOM 398 CG ASN A 60 -8.801 -2.831 21.493 1.00 0.00 C
400
+ ATOM 399 ND2 ASN A 60 -9.882 -3.495 21.102 1.00 0.00 N
401
+ ATOM 400 OD1 ASN A 60 -8.664 -2.398 22.640 1.00 0.00 O
402
+ ATOM 401 N GLY A 61 -5.958 -0.071 18.585 1.00 0.00 N
403
+ ATOM 402 CA GLY A 61 -4.869 0.079 17.633 1.00 0.00 C
404
+ ATOM 403 C GLY A 61 -4.983 -0.853 16.442 1.00 0.00 C
405
+ ATOM 404 O GLY A 61 -3.997 -1.110 15.751 1.00 0.00 O
406
+ ATOM 405 N SER A 62 -6.105 -1.395 16.148 1.00 0.00 N
407
+ ATOM 406 CA SER A 62 -6.348 -2.280 15.014 1.00 0.00 C
408
+ ATOM 407 C SER A 62 -7.123 -1.567 13.912 1.00 0.00 C
409
+ ATOM 408 CB SER A 62 -7.112 -3.527 15.461 1.00 0.00 C
410
+ ATOM 409 O SER A 62 -7.949 -0.694 14.191 1.00 0.00 O
411
+ ATOM 410 OG SER A 62 -6.371 -4.252 16.427 1.00 0.00 O
412
+ ATOM 411 N ALA A 63 -6.796 -1.964 12.750 1.00 0.00 N
413
+ ATOM 412 CA ALA A 63 -7.530 -1.491 11.579 1.00 0.00 C
414
+ ATOM 413 C ALA A 63 -7.533 -2.540 10.471 1.00 0.00 C
415
+ ATOM 414 CB ALA A 63 -6.929 -0.183 11.068 1.00 0.00 C
416
+ ATOM 415 O ALA A 63 -6.605 -3.347 10.370 1.00 0.00 O
417
+ ATOM 416 N SER A 64 -8.561 -2.505 9.679 1.00 0.00 N
418
+ ATOM 417 CA SER A 64 -8.658 -3.402 8.531 1.00 0.00 C
419
+ ATOM 418 C SER A 64 -9.506 -2.790 7.421 1.00 0.00 C
420
+ ATOM 419 CB SER A 64 -9.249 -4.748 8.951 1.00 0.00 C
421
+ ATOM 420 O SER A 64 -10.508 -2.125 7.693 1.00 0.00 O
422
+ ATOM 421 OG SER A 64 -9.391 -5.607 7.833 1.00 0.00 O
423
+ ATOM 422 N THR A 65 -9.114 -3.000 6.223 1.00 0.00 N
424
+ ATOM 423 CA THR A 65 -9.858 -2.535 5.057 1.00 0.00 C
425
+ ATOM 424 C THR A 65 -9.500 -3.360 3.824 1.00 0.00 C
426
+ ATOM 425 CB THR A 65 -9.587 -1.046 4.778 1.00 0.00 C
427
+ ATOM 426 O THR A 65 -8.595 -4.195 3.870 1.00 0.00 O
428
+ ATOM 427 CG2 THR A 65 -8.181 -0.837 4.225 1.00 0.00 C
429
+ ATOM 428 OG1 THR A 65 -10.540 -0.562 3.823 1.00 0.00 O
430
+ ATOM 429 N SER A 66 -10.143 -3.204 2.766 1.00 0.00 N
431
+ ATOM 430 CA SER A 66 -9.870 -3.856 1.488 1.00 0.00 C
432
+ ATOM 431 C SER A 66 -9.138 -2.918 0.535 1.00 0.00 C
433
+ ATOM 432 CB SER A 66 -11.171 -4.338 0.844 1.00 0.00 C
434
+ ATOM 433 O SER A 66 -9.335 -1.702 0.579 1.00 0.00 O
435
+ ATOM 434 OG SER A 66 -11.791 -5.329 1.645 1.00 0.00 O
436
+ ATOM 435 N LEU A 67 -8.376 -3.515 -0.303 1.00 0.00 N
437
+ ATOM 436 CA LEU A 67 -7.634 -2.782 -1.324 1.00 0.00 C
438
+ ATOM 437 C LEU A 67 -7.581 -3.571 -2.628 1.00 0.00 C
439
+ ATOM 438 CB LEU A 67 -6.214 -2.478 -0.840 1.00 0.00 C
440
+ ATOM 439 O LEU A 67 -7.285 -4.769 -2.623 1.00 0.00 O
441
+ ATOM 440 CG LEU A 67 -5.350 -1.624 -1.769 1.00 0.00 C
442
+ ATOM 441 CD1 LEU A 67 -5.794 -0.166 -1.714 1.00 0.00 C
443
+ ATOM 442 CD2 LEU A 67 -3.876 -1.754 -1.400 1.00 0.00 C
444
+ ATOM 443 N THR A 68 -7.920 -2.967 -3.732 1.00 0.00 N
445
+ ATOM 444 CA THR A 68 -7.674 -3.545 -5.049 1.00 0.00 C
446
+ ATOM 445 C THR A 68 -6.225 -3.324 -5.474 1.00 0.00 C
447
+ ATOM 446 CB THR A 68 -8.620 -2.948 -6.107 1.00 0.00 C
448
+ ATOM 447 O THR A 68 -5.734 -2.193 -5.458 1.00 0.00 O
449
+ ATOM 448 CG2 THR A 68 -8.363 -3.558 -7.481 1.00 0.00 C
450
+ ATOM 449 OG1 THR A 68 -9.977 -3.209 -5.728 1.00 0.00 O
451
+ ATOM 450 N VAL A 69 -5.553 -4.379 -5.839 1.00 0.00 N
452
+ ATOM 451 CA VAL A 69 -4.164 -4.263 -6.273 1.00 0.00 C
453
+ ATOM 452 C VAL A 69 -4.071 -4.509 -7.777 1.00 0.00 C
454
+ ATOM 453 CB VAL A 69 -3.247 -5.248 -5.514 1.00 0.00 C
455
+ ATOM 454 O VAL A 69 -4.872 -5.257 -8.342 1.00 0.00 O
456
+ ATOM 455 CG1 VAL A 69 -3.191 -4.897 -4.029 1.00 0.00 C
457
+ ATOM 456 CG2 VAL A 69 -3.731 -6.684 -5.710 1.00 0.00 C
458
+ ATOM 457 N ARG A 70 -3.083 -3.834 -8.328 1.00 0.00 N
459
+ ATOM 458 CA ARG A 70 -2.881 -3.852 -9.773 1.00 0.00 C
460
+ ATOM 459 C ARG A 70 -1.513 -4.427 -10.127 1.00 0.00 C
461
+ ATOM 460 CB ARG A 70 -3.023 -2.443 -10.354 1.00 0.00 C
462
+ ATOM 461 O ARG A 70 -0.517 -4.123 -9.468 1.00 0.00 O
463
+ ATOM 462 CG ARG A 70 -4.351 -1.776 -10.033 1.00 0.00 C
464
+ ATOM 463 CD ARG A 70 -5.512 -2.465 -10.737 1.00 0.00 C
465
+ ATOM 464 NE ARG A 70 -6.726 -1.653 -10.695 1.00 0.00 N
466
+ ATOM 465 NH1 ARG A 70 -8.067 -3.236 -11.712 1.00 0.00 N
467
+ ATOM 466 NH2 ARG A 70 -8.949 -1.220 -11.071 1.00 0.00 N
468
+ ATOM 467 CZ ARG A 70 -7.910 -2.038 -11.160 1.00 0.00 C
469
+ ATOM 468 N ARG A 71 -1.550 -5.240 -11.202 1.00 0.00 N
470
+ ATOM 469 CA ARG A 71 -0.288 -5.768 -11.709 1.00 0.00 C
471
+ ATOM 470 C ARG A 71 0.594 -4.648 -12.254 1.00 0.00 C
472
+ ATOM 471 CB ARG A 71 -0.541 -6.812 -12.799 1.00 0.00 C
473
+ ATOM 472 O ARG A 71 1.821 -4.719 -12.167 1.00 0.00 O
474
+ ATOM 473 CG ARG A 71 0.722 -7.485 -13.312 1.00 0.00 C
475
+ ATOM 474 CD ARG A 71 0.425 -8.444 -14.457 1.00 0.00 C
476
+ ATOM 475 NE ARG A 71 -0.151 -9.697 -13.975 1.00 0.00 N
477
+ ATOM 476 NH1 ARG A 71 -0.195 -10.713 -16.049 1.00 0.00 N
478
+ ATOM 477 NH2 ARG A 71 -0.954 -11.836 -14.201 1.00 0.00 N
479
+ ATOM 478 CZ ARG A 71 -0.432 -10.746 -14.742 1.00 0.00 C
480
+ ATOM 479 N SER A 72 -0.007 -3.677 -12.828 1.00 0.00 N
481
+ ATOM 480 CA SER A 72 0.636 -2.451 -13.290 1.00 0.00 C
482
+ ATOM 481 C SER A 72 -0.225 -1.229 -12.987 1.00 0.00 C
483
+ ATOM 482 CB SER A 72 0.919 -2.527 -14.789 1.00 0.00 C
484
+ ATOM 483 O SER A 72 -1.454 -1.314 -12.981 1.00 0.00 O
485
+ ATOM 484 OG SER A 72 1.536 -1.334 -15.245 1.00 0.00 O
486
+ ATOM 485 N PHE A 73 0.494 -0.151 -12.737 1.00 0.00 N
487
+ ATOM 486 CA PHE A 73 -0.224 1.082 -12.438 1.00 0.00 C
488
+ ATOM 487 C PHE A 73 0.639 2.299 -12.750 1.00 0.00 C
489
+ ATOM 488 CB PHE A 73 -0.659 1.111 -10.970 1.00 0.00 C
490
+ ATOM 489 O PHE A 73 1.857 2.182 -12.898 1.00 0.00 O
491
+ ATOM 490 CG PHE A 73 0.483 1.004 -9.995 1.00 0.00 C
492
+ ATOM 491 CD1 PHE A 73 0.848 -0.225 -9.462 1.00 0.00 C
493
+ ATOM 492 CD2 PHE A 73 1.193 2.136 -9.614 1.00 0.00 C
494
+ ATOM 493 CE1 PHE A 73 1.906 -0.326 -8.560 1.00 0.00 C
495
+ ATOM 494 CE2 PHE A 73 2.249 2.043 -8.713 1.00 0.00 C
496
+ ATOM 495 CZ PHE A 73 2.604 0.811 -8.187 1.00 0.00 C
497
+ ATOM 496 N GLU A 74 -0.068 3.371 -12.904 1.00 0.00 N
498
+ ATOM 497 CA GLU A 74 0.628 4.654 -12.958 1.00 0.00 C
499
+ ATOM 498 C GLU A 74 1.074 5.099 -11.568 1.00 0.00 C
500
+ ATOM 499 CB GLU A 74 -0.266 5.723 -13.591 1.00 0.00 C
501
+ ATOM 500 O GLU A 74 0.242 5.326 -10.687 1.00 0.00 O
502
+ ATOM 501 CG GLU A 74 0.462 7.021 -13.912 1.00 0.00 C
503
+ ATOM 502 CD GLU A 74 -0.385 8.005 -14.703 1.00 0.00 C
504
+ ATOM 503 OE1 GLU A 74 -1.351 8.565 -14.139 1.00 0.00 O
505
+ ATOM 504 OE2 GLU A 74 -0.081 8.215 -15.899 1.00 0.00 O
506
+ ATOM 505 N GLY A 75 2.440 5.260 -11.354 1.00 0.00 N
507
+ ATOM 506 CA GLY A 75 3.009 5.580 -10.055 1.00 0.00 C
508
+ ATOM 507 C GLY A 75 3.250 7.065 -9.859 1.00 0.00 C
509
+ ATOM 508 O GLY A 75 3.654 7.762 -10.792 1.00 0.00 O
510
+ ATOM 509 N PHE A 76 2.961 7.455 -8.653 1.00 0.00 N
511
+ ATOM 510 CA PHE A 76 3.190 8.839 -8.255 1.00 0.00 C
512
+ ATOM 511 C PHE A 76 4.014 8.905 -6.975 1.00 0.00 C
513
+ ATOM 512 CB PHE A 76 1.858 9.572 -8.060 1.00 0.00 C
514
+ ATOM 513 O PHE A 76 3.882 8.047 -6.100 1.00 0.00 O
515
+ ATOM 514 CG PHE A 76 1.091 9.785 -9.337 1.00 0.00 C
516
+ ATOM 515 CD1 PHE A 76 1.095 11.024 -9.967 1.00 0.00 C
517
+ ATOM 516 CD2 PHE A 76 0.366 8.747 -9.908 1.00 0.00 C
518
+ ATOM 517 CE1 PHE A 76 0.385 11.225 -11.149 1.00 0.00 C
519
+ ATOM 518 CE2 PHE A 76 -0.346 8.940 -11.088 1.00 0.00 C
520
+ ATOM 519 CZ PHE A 76 -0.335 10.180 -11.707 1.00 0.00 C
521
+ ATOM 520 N LEU A 77 4.808 9.940 -6.893 1.00 0.00 N
522
+ ATOM 521 CA LEU A 77 5.623 10.174 -5.706 1.00 0.00 C
523
+ ATOM 522 C LEU A 77 4.813 10.874 -4.620 1.00 0.00 C
524
+ ATOM 523 CB LEU A 77 6.855 11.012 -6.059 1.00 0.00 C
525
+ ATOM 524 O LEU A 77 3.671 11.276 -4.854 1.00 0.00 O
526
+ ATOM 525 CG LEU A 77 7.709 10.505 -7.223 1.00 0.00 C
527
+ ATOM 526 CD1 LEU A 77 8.882 11.448 -7.471 1.00 0.00 C
528
+ ATOM 527 CD2 LEU A 77 8.204 9.090 -6.947 1.00 0.00 C
529
+ ATOM 528 N PHE A 78 5.416 10.892 -3.491 1.00 0.00 N
530
+ ATOM 529 CA PHE A 78 4.718 11.448 -2.337 1.00 0.00 C
531
+ ATOM 530 C PHE A 78 4.312 12.894 -2.596 1.00 0.00 C
532
+ ATOM 531 CB PHE A 78 5.595 11.364 -1.085 1.00 0.00 C
533
+ ATOM 532 O PHE A 78 3.275 13.349 -2.108 1.00 0.00 O
534
+ ATOM 533 CG PHE A 78 4.892 11.777 0.179 1.00 0.00 C
535
+ ATOM 534 CD1 PHE A 78 3.935 10.954 0.759 1.00 0.00 C
536
+ ATOM 535 CD2 PHE A 78 5.186 12.992 0.786 1.00 0.00 C
537
+ ATOM 536 CE1 PHE A 78 3.281 11.334 1.929 1.00 0.00 C
538
+ ATOM 537 CE2 PHE A 78 4.537 13.378 1.955 1.00 0.00 C
539
+ ATOM 538 CZ PHE A 78 3.585 12.549 2.525 1.00 0.00 C
540
+ ATOM 539 N ASP A 79 5.063 13.653 -3.467 1.00 0.00 N
541
+ ATOM 540 CA ASP A 79 4.744 15.053 -3.732 1.00 0.00 C
542
+ ATOM 541 C ASP A 79 3.737 15.181 -4.872 1.00 0.00 C
543
+ ATOM 542 CB ASP A 79 6.015 15.839 -4.060 1.00 0.00 C
544
+ ATOM 543 O ASP A 79 3.431 16.290 -5.314 1.00 0.00 O
545
+ ATOM 544 CG ASP A 79 6.688 15.370 -5.339 1.00 0.00 C
546
+ ATOM 545 OD1 ASP A 79 6.174 14.437 -5.992 1.00 0.00 O
547
+ ATOM 546 OD2 ASP A 79 7.746 15.936 -5.693 1.00 0.00 O
548
+ ATOM 547 N GLY A 80 3.280 14.066 -5.383 1.00 0.00 N
549
+ ATOM 548 CA GLY A 80 2.267 14.085 -6.426 1.00 0.00 C
550
+ ATOM 549 C GLY A 80 2.851 14.038 -7.825 1.00 0.00 C
551
+ ATOM 550 O GLY A 80 2.111 13.991 -8.810 1.00 0.00 O
552
+ ATOM 551 N THR A 81 4.113 14.086 -7.897 1.00 0.00 N
553
+ ATOM 552 CA THR A 81 4.784 14.030 -9.190 1.00 0.00 C
554
+ ATOM 553 C THR A 81 4.618 12.653 -9.827 1.00 0.00 C
555
+ ATOM 554 CB THR A 81 6.283 14.360 -9.057 1.00 0.00 C
556
+ ATOM 555 O THR A 81 4.849 11.631 -9.177 1.00 0.00 O
557
+ ATOM 556 CG2 THR A 81 6.967 14.373 -10.420 1.00 0.00 C
558
+ ATOM 557 OG1 THR A 81 6.430 15.648 -8.449 1.00 0.00 O
559
+ ATOM 558 N ARG A 82 4.179 12.713 -11.041 1.00 0.00 N
560
+ ATOM 559 CA ARG A 82 4.106 11.457 -11.782 1.00 0.00 C
561
+ ATOM 560 C ARG A 82 5.493 10.848 -11.964 1.00 0.00 C
562
+ ATOM 561 CB ARG A 82 3.446 11.674 -13.145 1.00 0.00 C
563
+ ATOM 562 O ARG A 82 6.395 11.494 -12.502 1.00 0.00 O
564
+ ATOM 563 CG ARG A 82 3.249 10.396 -13.944 1.00 0.00 C
565
+ ATOM 564 CD ARG A 82 2.661 10.677 -15.321 1.00 0.00 C
566
+ ATOM 565 NE ARG A 82 2.478 9.448 -16.089 1.00 0.00 N
567
+ ATOM 566 NH1 ARG A 82 4.627 9.412 -16.935 1.00 0.00 N
568
+ ATOM 567 NH2 ARG A 82 3.142 7.759 -17.495 1.00 0.00 N
569
+ ATOM 568 CZ ARG A 82 3.416 8.876 -16.838 1.00 0.00 C
570
+ ATOM 569 N TRP A 83 5.661 9.610 -11.541 1.00 0.00 N
571
+ ATOM 570 CA TRP A 83 6.906 8.884 -11.769 1.00 0.00 C
572
+ ATOM 571 C TRP A 83 6.868 8.144 -13.102 1.00 0.00 C
573
+ ATOM 572 CB TRP A 83 7.170 7.896 -10.630 1.00 0.00 C
574
+ ATOM 573 O TRP A 83 7.840 8.170 -13.861 1.00 0.00 O
575
+ ATOM 574 CG TRP A 83 8.444 7.120 -10.779 1.00 0.00 C
576
+ ATOM 575 CD1 TRP A 83 9.705 7.539 -10.460 1.00 0.00 C
577
+ ATOM 576 CD2 TRP A 83 8.579 5.790 -11.290 1.00 0.00 C
578
+ ATOM 577 CE2 TRP A 83 9.953 5.466 -11.252 1.00 0.00 C
579
+ ATOM 578 CE3 TRP A 83 7.670 4.840 -11.777 1.00 0.00 C
580
+ ATOM 579 NE1 TRP A 83 10.618 6.548 -10.742 1.00 0.00 N
581
+ ATOM 580 CH2 TRP A 83 9.530 3.318 -12.154 1.00 0.00 C
582
+ ATOM 581 CZ2 TRP A 83 10.441 4.230 -11.683 1.00 0.00 C
583
+ ATOM 582 CZ3 TRP A 83 8.158 3.611 -12.205 1.00 0.00 C
584
+ ATOM 583 N GLY A 84 5.779 7.414 -13.463 1.00 0.00 N
585
+ ATOM 584 CA GLY A 84 5.556 6.583 -14.636 1.00 0.00 C
586
+ ATOM 585 C GLY A 84 4.898 5.255 -14.310 1.00 0.00 C
587
+ ATOM 586 O GLY A 84 4.341 5.082 -13.224 1.00 0.00 O
588
+ ATOM 587 N THR A 85 4.888 4.411 -15.262 1.00 0.00 N
589
+ ATOM 588 CA THR A 85 4.239 3.113 -15.108 1.00 0.00 C
590
+ ATOM 589 C THR A 85 5.092 2.181 -14.252 1.00 0.00 C
591
+ ATOM 590 CB THR A 85 3.969 2.457 -16.475 1.00 0.00 C
592
+ ATOM 591 O THR A 85 6.286 2.008 -14.514 1.00 0.00 O
593
+ ATOM 592 CG2 THR A 85 3.259 1.118 -16.311 1.00 0.00 C
594
+ ATOM 593 OG1 THR A 85 3.148 3.329 -17.262 1.00 0.00 O
595
+ ATOM 594 N VAL A 86 4.534 1.634 -13.287 1.00 0.00 N
596
+ ATOM 595 CA VAL A 86 5.121 0.596 -12.446 1.00 0.00 C
597
+ ATOM 596 C VAL A 86 4.590 -0.773 -12.867 1.00 0.00 C
598
+ ATOM 597 CB VAL A 86 4.828 0.843 -10.949 1.00 0.00 C
599
+ ATOM 598 O VAL A 86 3.383 -0.947 -13.052 1.00 0.00 O
600
+ ATOM 599 CG1 VAL A 86 5.333 -0.321 -10.099 1.00 0.00 C
601
+ ATOM 600 CG2 VAL A 86 5.462 2.156 -10.493 1.00 0.00 C
602
+ ATOM 601 N ASP A 87 5.466 -1.715 -13.055 1.00 0.00 N
603
+ ATOM 602 CA ASP A 87 5.127 -3.112 -13.307 1.00 0.00 C
604
+ ATOM 603 C ASP A 87 5.511 -3.992 -12.121 1.00 0.00 C
605
+ ATOM 604 CB ASP A 87 5.816 -3.611 -14.578 1.00 0.00 C
606
+ ATOM 605 O ASP A 87 6.697 -4.222 -11.870 1.00 0.00 O
607
+ ATOM 606 CG ASP A 87 5.394 -5.016 -14.969 1.00 0.00 C
608
+ ATOM 607 OD1 ASP A 87 4.646 -5.663 -14.204 1.00 0.00 O
609
+ ATOM 608 OD2 ASP A 87 5.815 -5.482 -16.049 1.00 0.00 O
610
+ ATOM 609 N CYS A 88 4.564 -4.547 -11.450 1.00 0.00 N
611
+ ATOM 610 CA CYS A 88 4.772 -5.260 -10.194 1.00 0.00 C
612
+ ATOM 611 C CYS A 88 5.256 -6.682 -10.448 1.00 0.00 C
613
+ ATOM 612 CB CYS A 88 3.482 -5.289 -9.375 1.00 0.00 C
614
+ ATOM 613 O CYS A 88 5.418 -7.464 -9.509 1.00 0.00 O
615
+ ATOM 614 SG CYS A 88 3.025 -3.686 -8.679 1.00 0.00 S
616
+ ATOM 615 N THR A 89 5.539 -7.079 -11.696 1.00 0.00 N
617
+ ATOM 616 CA THR A 89 6.172 -8.367 -11.961 1.00 0.00 C
618
+ ATOM 617 C THR A 89 7.692 -8.247 -11.889 1.00 0.00 C
619
+ ATOM 618 CB THR A 89 5.764 -8.917 -13.340 1.00 0.00 C
620
+ ATOM 619 O THR A 89 8.393 -9.253 -11.757 1.00 0.00 O
621
+ ATOM 620 CG2 THR A 89 4.246 -9.007 -13.468 1.00 0.00 C
622
+ ATOM 621 OG1 THR A 89 6.267 -8.049 -14.362 1.00 0.00 O
623
+ ATOM 622 N THR A 90 8.170 -6.982 -11.967 1.00 0.00 N
624
+ ATOM 623 CA THR A 90 9.611 -6.767 -11.912 1.00 0.00 C
625
+ ATOM 624 C THR A 90 9.977 -5.836 -10.760 1.00 0.00 C
626
+ ATOM 625 CB THR A 90 10.140 -6.183 -13.235 1.00 0.00 C
627
+ ATOM 626 O THR A 90 11.046 -5.970 -10.161 1.00 0.00 O
628
+ ATOM 627 CG2 THR A 90 9.921 -7.153 -14.392 1.00 0.00 C
629
+ ATOM 628 OG1 THR A 90 9.454 -4.957 -13.518 1.00 0.00 O
630
+ ATOM 629 N ALA A 91 9.094 -4.853 -10.482 1.00 0.00 N
631
+ ATOM 630 CA ALA A 91 9.348 -3.920 -9.386 1.00 0.00 C
632
+ ATOM 631 C ALA A 91 8.995 -4.548 -8.041 1.00 0.00 C
633
+ ATOM 632 CB ALA A 91 8.558 -2.630 -9.592 1.00 0.00 C
634
+ ATOM 633 O ALA A 91 8.138 -5.432 -7.967 1.00 0.00 O
635
+ ATOM 634 N ALA A 92 9.642 -4.173 -7.011 1.00 0.00 N
636
+ ATOM 635 CA ALA A 92 9.350 -4.600 -5.645 1.00 0.00 C
637
+ ATOM 636 C ALA A 92 8.137 -3.861 -5.088 1.00 0.00 C
638
+ ATOM 637 CB ALA A 92 10.563 -4.377 -4.747 1.00 0.00 C
639
+ ATOM 638 O ALA A 92 8.282 -2.887 -4.344 1.00 0.00 O
640
+ ATOM 639 N CYS A 93 6.968 -4.389 -5.394 1.00 0.00 N
641
+ ATOM 640 CA CYS A 93 5.711 -3.782 -4.971 1.00 0.00 C
642
+ ATOM 641 C CYS A 93 5.342 -4.219 -3.559 1.00 0.00 C
643
+ ATOM 642 CB CYS A 93 4.586 -4.147 -5.939 1.00 0.00 C
644
+ ATOM 643 O CYS A 93 5.697 -5.320 -3.134 1.00 0.00 O
645
+ ATOM 644 SG CYS A 93 4.682 -3.288 -7.525 1.00 0.00 S
646
+ ATOM 645 N GLN A 94 4.669 -3.406 -2.898 1.00 0.00 N
647
+ ATOM 646 CA GLN A 94 4.215 -3.641 -1.531 1.00 0.00 C
648
+ ATOM 647 C GLN A 94 2.900 -2.918 -1.257 1.00 0.00 C
649
+ ATOM 648 CB GLN A 94 5.279 -3.194 -0.528 1.00 0.00 C
650
+ ATOM 649 O GLN A 94 2.531 -1.991 -1.983 1.00 0.00 O
651
+ ATOM 650 CG GLN A 94 5.635 -1.717 -0.626 1.00 0.00 C
652
+ ATOM 651 CD GLN A 94 6.735 -1.314 0.338 1.00 0.00 C
653
+ ATOM 652 NE2 GLN A 94 7.252 -0.101 0.175 1.00 0.00 N
654
+ ATOM 653 OE1 GLN A 94 7.118 -2.086 1.223 1.00 0.00 O
655
+ ATOM 654 N VAL A 95 2.249 -3.356 -0.271 1.00 0.00 N
656
+ ATOM 655 CA VAL A 95 1.057 -2.713 0.270 1.00 0.00 C
657
+ ATOM 656 C VAL A 95 1.304 -2.300 1.719 1.00 0.00 C
658
+ ATOM 657 CB VAL A 95 -0.176 -3.640 0.182 1.00 0.00 C
659
+ ATOM 658 O VAL A 95 1.913 -3.047 2.489 1.00 0.00 O
660
+ ATOM 659 CG1 VAL A 95 -1.364 -3.032 0.927 1.00 0.00 C
661
+ ATOM 660 CG2 VAL A 95 -0.537 -3.911 -1.277 1.00 0.00 C
662
+ ATOM 661 N GLY A 96 0.915 -1.052 2.059 1.00 0.00 N
663
+ ATOM 662 CA GLY A 96 1.169 -0.581 3.411 1.00 0.00 C
664
+ ATOM 663 C GLY A 96 0.143 0.424 3.896 1.00 0.00 C
665
+ ATOM 664 O GLY A 96 -0.802 0.751 3.174 1.00 0.00 O
666
+ ATOM 665 N LEU A 97 0.260 0.748 5.128 1.00 0.00 N
667
+ ATOM 666 CA LEU A 97 -0.502 1.760 5.850 1.00 0.00 C
668
+ ATOM 667 C LEU A 97 0.392 2.922 6.266 1.00 0.00 C
669
+ ATOM 668 CB LEU A 97 -1.171 1.148 7.084 1.00 0.00 C
670
+ ATOM 669 O LEU A 97 1.527 2.712 6.703 1.00 0.00 O
671
+ ATOM 670 CG LEU A 97 -2.160 0.010 6.825 1.00 0.00 C
672
+ ATOM 671 CD1 LEU A 97 -1.459 -1.338 6.951 1.00 0.00 C
673
+ ATOM 672 CD2 LEU A 97 -3.340 0.097 7.788 1.00 0.00 C
674
+ ATOM 673 N SER A 98 -0.064 4.123 6.128 1.00 0.00 N
675
+ ATOM 674 CA SER A 98 0.685 5.299 6.560 1.00 0.00 C
676
+ ATOM 675 C SER A 98 -0.248 6.390 7.077 1.00 0.00 C
677
+ ATOM 676 CB SER A 98 1.535 5.845 5.412 1.00 0.00 C
678
+ ATOM 677 O SER A 98 -1.324 6.611 6.515 1.00 0.00 O
679
+ ATOM 678 OG SER A 98 0.714 6.296 4.349 1.00 0.00 O
680
+ ATOM 679 N ASP A 99 0.148 7.010 8.175 1.00 0.00 N
681
+ ATOM 680 CA ASP A 99 -0.613 8.171 8.627 1.00 0.00 C
682
+ ATOM 681 C ASP A 99 -0.213 9.426 7.855 1.00 0.00 C
683
+ ATOM 682 CB ASP A 99 -0.413 8.391 10.129 1.00 0.00 C
684
+ ATOM 683 O ASP A 99 0.566 9.352 6.903 1.00 0.00 O
685
+ ATOM 684 CG ASP A 99 1.005 8.796 10.485 1.00 0.00 C
686
+ ATOM 685 OD1 ASP A 99 1.759 9.234 9.588 1.00 0.00 O
687
+ ATOM 686 OD2 ASP A 99 1.375 8.676 11.673 1.00 0.00 O
688
+ ATOM 687 N ALA A 100 -0.726 10.538 8.250 1.00 0.00 N
689
+ ATOM 688 CA ALA A 100 -0.544 11.793 7.525 1.00 0.00 C
690
+ ATOM 689 C ALA A 100 0.923 12.215 7.519 1.00 0.00 C
691
+ ATOM 690 CB ALA A 100 -1.408 12.892 8.140 1.00 0.00 C
692
+ ATOM 691 O ALA A 100 1.369 12.918 6.610 1.00 0.00 O
693
+ ATOM 692 N ALA A 101 1.664 11.775 8.482 1.00 0.00 N
694
+ ATOM 693 CA ALA A 101 3.075 12.135 8.587 1.00 0.00 C
695
+ ATOM 694 C ALA A 101 3.956 11.112 7.876 1.00 0.00 C
696
+ ATOM 695 CB ALA A 101 3.486 12.259 10.053 1.00 0.00 C
697
+ ATOM 696 O ALA A 101 5.179 11.266 7.824 1.00 0.00 O
698
+ ATOM 697 N GLY A 102 3.356 10.067 7.286 1.00 0.00 N
699
+ ATOM 698 CA GLY A 102 4.130 9.060 6.575 1.00 0.00 C
700
+ ATOM 699 C GLY A 102 4.625 7.943 7.473 1.00 0.00 C
701
+ ATOM 700 O GLY A 102 5.462 7.136 7.065 1.00 0.00 O
702
+ ATOM 701 N ASN A 103 4.129 7.914 8.707 1.00 0.00 N
703
+ ATOM 702 CA ASN A 103 4.499 6.850 9.635 1.00 0.00 C
704
+ ATOM 703 C ASN A 103 3.560 5.653 9.516 1.00 0.00 C
705
+ ATOM 704 CB ASN A 103 4.515 7.372 11.073 1.00 0.00 C
706
+ ATOM 705 O ASN A 103 2.370 5.817 9.240 1.00 0.00 O
707
+ ATOM 706 CG ASN A 103 5.466 8.536 11.261 1.00 0.00 C
708
+ ATOM 707 ND2 ASN A 103 4.991 9.593 11.909 1.00 0.00 N
709
+ ATOM 708 OD1 ASN A 103 6.620 8.487 10.826 1.00 0.00 O
710
+ ATOM 709 N GLY A 104 4.083 4.480 9.800 1.00 0.00 N
711
+ ATOM 710 CA GLY A 104 3.312 3.246 9.773 1.00 0.00 C
712
+ ATOM 711 C GLY A 104 4.177 2.002 9.827 1.00 0.00 C
713
+ ATOM 712 O GLY A 104 5.401 2.094 9.943 1.00 0.00 O
714
+ ATOM 713 N PRO A 105 3.545 0.841 9.829 1.00 0.00 N
715
+ ATOM 714 CA PRO A 105 4.310 -0.406 9.754 1.00 0.00 C
716
+ ATOM 715 C PRO A 105 5.059 -0.561 8.433 1.00 0.00 C
717
+ ATOM 716 CB PRO A 105 3.238 -1.487 9.904 1.00 0.00 C
718
+ ATOM 717 O PRO A 105 4.777 0.159 7.471 1.00 0.00 O
719
+ ATOM 718 CG PRO A 105 1.981 -0.851 9.405 1.00 0.00 C
720
+ ATOM 719 CD PRO A 105 2.041 0.621 9.703 1.00 0.00 C
721
+ ATOM 720 N GLU A 106 6.036 -1.450 8.433 1.00 0.00 N
722
+ ATOM 721 CA GLU A 106 6.692 -1.839 7.188 1.00 0.00 C
723
+ ATOM 722 C GLU A 106 5.685 -2.384 6.179 1.00 0.00 C
724
+ ATOM 723 CB GLU A 106 7.781 -2.880 7.457 1.00 0.00 C
725
+ ATOM 724 O GLU A 106 4.747 -3.093 6.551 1.00 0.00 O
726
+ ATOM 725 CG GLU A 106 8.718 -3.109 6.279 1.00 0.00 C
727
+ ATOM 726 CD GLU A 106 9.872 -4.044 6.604 1.00 0.00 C
728
+ ATOM 727 OE1 GLU A 106 10.052 -4.398 7.790 1.00 0.00 O
729
+ ATOM 728 OE2 GLU A 106 10.605 -4.424 5.662 1.00 0.00 O
730
+ ATOM 729 N GLY A 107 5.824 -1.952 4.923 1.00 0.00 N
731
+ ATOM 730 CA GLY A 107 4.967 -2.461 3.864 1.00 0.00 C
732
+ ATOM 731 C GLY A 107 5.086 -3.960 3.668 1.00 0.00 C
733
+ ATOM 732 O GLY A 107 6.162 -4.532 3.852 1.00 0.00 O
734
+ ATOM 733 N VAL A 108 4.022 -4.630 3.333 1.00 0.00 N
735
+ ATOM 734 CA VAL A 108 3.980 -6.057 3.029 1.00 0.00 C
736
+ ATOM 735 C VAL A 108 4.224 -6.275 1.537 1.00 0.00 C
737
+ ATOM 736 CB VAL A 108 2.633 -6.688 3.446 1.00 0.00 C
738
+ ATOM 737 O VAL A 108 3.484 -5.755 0.699 1.00 0.00 O
739
+ ATOM 738 CG1 VAL A 108 2.599 -8.173 3.090 1.00 0.00 C
740
+ ATOM 739 CG2 VAL A 108 2.391 -6.487 4.941 1.00 0.00 C
741
+ ATOM 740 N ALA A 109 5.267 -7.040 1.202 1.00 0.00 N
742
+ ATOM 741 CA ALA A 109 5.552 -7.367 -0.194 1.00 0.00 C
743
+ ATOM 742 C ALA A 109 4.405 -8.157 -0.817 1.00 0.00 C
744
+ ATOM 743 CB ALA A 109 6.855 -8.155 -0.299 1.00 0.00 C
745
+ ATOM 744 O ALA A 109 3.827 -9.036 -0.174 1.00 0.00 O
746
+ ATOM 745 N ILE A 110 4.060 -7.845 -2.074 1.00 0.00 N
747
+ ATOM 746 CA ILE A 110 3.068 -8.618 -2.812 1.00 0.00 C
748
+ ATOM 747 C ILE A 110 3.665 -9.098 -4.133 1.00 0.00 C
749
+ ATOM 748 CB ILE A 110 1.787 -7.794 -3.070 1.00 0.00 C
750
+ ATOM 749 O ILE A 110 4.605 -8.493 -4.651 1.00 0.00 O
751
+ ATOM 750 CG1 ILE A 110 2.126 -6.505 -3.828 1.00 0.00 C
752
+ ATOM 751 CG2 ILE A 110 1.070 -7.482 -1.753 1.00 0.00 C
753
+ ATOM 752 CD1 ILE A 110 0.909 -5.772 -4.378 1.00 0.00 C
754
+ ATOM 753 N SER A 111 3.115 -10.201 -4.599 1.00 0.00 N
755
+ ATOM 754 CA SER A 111 3.616 -10.740 -5.859 1.00 0.00 C
756
+ ATOM 755 C SER A 111 2.474 -11.228 -6.744 1.00 0.00 C
757
+ ATOM 756 CB SER A 111 4.595 -11.885 -5.600 1.00 0.00 C
758
+ ATOM 757 O SER A 111 1.495 -11.790 -6.250 1.00 0.00 O
759
+ ATOM 758 OG SER A 111 3.940 -12.976 -4.977 1.00 0.00 O
760
+ ATOM 759 N PHE A 112 2.600 -11.032 -8.066 1.00 0.00 N
761
+ ATOM 760 CA PHE A 112 1.619 -11.379 -9.086 1.00 0.00 C
762
+ ATOM 761 C PHE A 112 2.060 -12.611 -9.867 1.00 0.00 C
763
+ ATOM 762 CB PHE A 112 1.398 -10.202 -10.043 1.00 0.00 C
764
+ ATOM 763 O PHE A 112 3.253 -12.916 -9.931 1.00 0.00 O
765
+ ATOM 764 CG PHE A 112 0.687 -9.034 -9.415 1.00 0.00 C
766
+ ATOM 765 CD1 PHE A 112 -0.676 -8.847 -9.608 1.00 0.00 C
767
+ ATOM 766 CD2 PHE A 112 1.382 -8.123 -8.632 1.00 0.00 C
768
+ ATOM 767 CE1 PHE A 112 -1.337 -7.767 -9.029 1.00 0.00 C
769
+ ATOM 768 CE2 PHE A 112 0.729 -7.041 -8.049 1.00 0.00 C
770
+ ATOM 769 CZ PHE A 112 -0.632 -6.864 -8.249 1.00 0.00 C
771
+ ATOM 770 N ASN A 113 1.124 -13.357 -10.300 1.00 0.00 N
772
+ ATOM 771 CA ASN A 113 1.395 -14.556 -11.086 1.00 0.00 C
773
+ ATOM 772 C ASN A 113 2.046 -14.213 -12.423 1.00 0.00 C
774
+ ATOM 773 CB ASN A 113 0.109 -15.354 -11.309 1.00 0.00 C
775
+ ATOM 774 O ASN A 113 1.846 -13.119 -12.954 1.00 0.00 O
776
+ ATOM 775 CG ASN A 113 -0.401 -16.008 -10.040 1.00 0.00 C
777
+ ATOM 776 ND2 ASN A 113 -1.704 -16.254 -9.983 1.00 0.00 N
778
+ ATOM 777 OD1 ASN A 113 0.370 -16.287 -9.119 1.00 0.00 O
779
+ ATOM 778 OXT ASN A 113 2.559 -15.308 -12.377 1.00 0.00 O
780
+ TER 779 ASN A 113
781
+ CONECT 238 309
782
+ CONECT 309 238
783
+ CONECT 614 644
784
+ CONECT 644 614
785
+ END
1o5p/1o5p_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1riw/1riw_ligand.mol2 ADDED
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1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:51 2018
3
+ ###
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+
5
+ @<TRIPOS>MOLECULE
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+ 1riw_ligand
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+ 88 92 1 0 0
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+ SMALL
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+ GAST_HUCK
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+
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+
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+
1riw/1riw_ligand.sdf ADDED
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1
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+ $$$$
1riw/1riw_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1riw/1riw_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1uk1/1uk1_ligand.mol2 ADDED
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1
+ ###
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+ M END
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+ $$$$
1zgv/1zgv_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1zgv/1zgv_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2a4m/2a4m_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2a4m/2a4m_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2c1a/2c1a_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2c1a/2c1a_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2clf/2clf_ligand.mol2 ADDED
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1
+ ###
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+ ### Created by X-TOOL on Mon Sep 10 21:12:55 2018
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+ ###
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+
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+ @<TRIPOS>MOLECULE
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2clf/2clf_ligand.sdf ADDED
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+ M END
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+ $$$$