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THU-ATOM
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PDBbind

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linbc20 commited on
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Add batch 29

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  1. 1b6m/1b6m_ligand.mol2 +202 -0
  2. 1b6m/1b6m_ligand.sdf +192 -0
  3. 1b6m/1b6m_protein_esmfold_aligned_tr_fix.pdb +0 -0
  4. 1b6m/1b6m_protein_processed_fix.pdb +0 -0
  5. 1g48/1g48_ligand.mol2 +85 -0
  6. 1g48/1g48_ligand.sdf +75 -0
  7. 1g48/1g48_protein_esmfold_aligned_tr_fix.pdb +0 -0
  8. 1g48/1g48_protein_processed_fix.pdb +0 -0
  9. 1g4o/1g4o_ligand.mol2 +85 -0
  10. 1g4o/1g4o_ligand.sdf +75 -0
  11. 1g4o/1g4o_protein_esmfold_aligned_tr_fix.pdb +0 -0
  12. 1g4o/1g4o_protein_processed_fix.pdb +0 -0
  13. 1idg/1idg_ligand.mol2 +647 -0
  14. 1idg/1idg_ligand.sdf +631 -0
  15. 1idg/1idg_protein_esmfold_aligned_tr_fix.pdb +564 -0
  16. 1idg/1idg_protein_processed_fix.pdb +1098 -0
  17. 1jvu/1jvu_ligand.mol2 +83 -0
  18. 1jvu/1jvu_ligand.sdf +77 -0
  19. 1jvu/1jvu_protein_esmfold_aligned_tr_fix.pdb +962 -0
  20. 1jvu/1jvu_protein_processed_fix.pdb +0 -0
  21. 1r2b/1r2b_ligand.mol2 +603 -0
  22. 1r2b/1r2b_ligand.sdf +593 -0
  23. 1r2b/1r2b_protein_esmfold_aligned_tr_fix.pdb +0 -0
  24. 1r2b/1r2b_protein_processed_fix.pdb +0 -0
  25. 1str/1str_ligand.mol2 +209 -0
  26. 1str/1str_ligand.sdf +197 -0
  27. 1str/1str_protein_esmfold_aligned_tr_fix.pdb +0 -0
  28. 1str/1str_protein_processed_fix.pdb +0 -0
  29. 1ur9/1ur9_ligand.mol2 +160 -0
  30. 1ur9/1ur9_ligand.sdf +150 -0
  31. 1ur9/1ur9_protein_esmfold_aligned_tr_fix.pdb +0 -0
  32. 1ur9/1ur9_protein_processed_fix.pdb +0 -0
  33. 1v2h/1v2h_ligand.mol2 +51 -0
  34. 1v2h/1v2h_ligand.sdf +35 -0
  35. 1v2h/1v2h_protein_esmfold_aligned_tr_fix.pdb +0 -0
  36. 1v2h/1v2h_protein_processed_fix.pdb +0 -0
  37. 2d1n/2d1n_ligand.mol2 +170 -0
  38. 2d1n/2d1n_ligand.sdf +158 -0
  39. 2d1n/2d1n_protein_esmfold_aligned_tr_fix.pdb +0 -0
  40. 2d1n/2d1n_protein_processed_fix.pdb +0 -0
  41. 2ha7/2ha7_ligand.mol2 +79 -0
  42. 2ha7/2ha7_ligand.sdf +69 -0
  43. 2ha7/2ha7_protein_esmfold_aligned_tr_fix.pdb +0 -0
  44. 2ha7/2ha7_protein_processed_fix.pdb +0 -0
  45. 2w1h/2w1h_ligand.mol2 +91 -0
  46. 2w1h/2w1h_ligand.sdf +77 -0
  47. 2w1h/2w1h_protein_esmfold_aligned_tr_fix.pdb +0 -0
  48. 2w1h/2w1h_protein_processed_fix.pdb +0 -0
  49. 2xxy/2xxy_ligand.mol2 +78 -0
  50. 2xxy/2xxy_ligand.sdf +72 -0
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1b6m/1b6m_protein_processed_fix.pdb ADDED
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1g48/1g48_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1g48/1g48_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1g4o/1g4o_ligand.mol2 ADDED
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1
+ ###
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+ $$$$
1g4o/1g4o_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1g4o/1g4o_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1idg/1idg_ligand.mol2 ADDED
@@ -0,0 +1,647 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:48 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 1idg_ligand
7
+ 310 321 1 0 0
8
+ SMALL
9
+ GAST_HUCK
10
+
11
+
12
+ @<TRIPOS>ATOM
13
+ 1 N -4.1060 -16.1730 25.0780 N.4 1 TYR 0.2392
14
+ 2 CA -2.9690 -17.0060 24.6340 C.3 1 TYR 0.0730
15
+ 3 C -2.1230 -16.1250 23.6620 C.2 1 TYR 0.2286
16
+ 4 O -1.6870 -15.0270 24.0220 O.2 1 TYR -0.3905
17
+ 5 CB -3.4960 -18.3670 24.0710 C.3 1 TYR 0.0365
18
+ 6 CG -4.1360 -19.4060 25.0070 C.ar 1 TYR -0.0460
19
+ 7 CD1 -3.3650 -20.0060 26.0030 C.ar 1 TYR -0.0684
20
+ 8 CD2 -5.4280 -19.8870 24.7480 C.ar 1 TYR -0.0684
21
+ 9 CE1 -3.8660 -21.0940 26.7210 C.ar 1 TYR -0.0398
22
+ 10 CE2 -5.9250 -20.9750 25.4690 C.ar 1 TYR -0.0398
23
+ 11 CZ -5.1450 -21.5780 26.4460 C.ar 1 TYR 0.0805
24
+ 12 OH -5.6200 -22.6730 27.1280 O.3 1 TYR -0.3376
25
+ 13 H1 -4.6838 -16.7032 25.7113 H 1 TYR 0.2017
26
+ 14 H2 -4.6520 -15.8955 24.2775 H 1 TYR 0.2017
27
+ 15 H3 -3.7578 -15.3522 25.5482 H 1 TYR 0.2017
28
+ 16 H4 -2.3374 -17.2415 25.5033 H 1 TYR 0.1120
29
+ 17 H5 -2.6390 -18.8619 23.5907 H 1 TYR 0.0486
30
+ 18 H6 -4.2514 -18.1214 23.3101 H 1 TYR 0.0486
31
+ 19 H7 -2.3733 -19.6262 26.2204 H 1 TYR 0.0530
32
+ 20 H8 -6.0404 -19.4145 23.9886 H 1 TYR 0.0530
33
+ 21 H9 -3.2622 -21.5614 27.4904 H 1 TYR 0.0525
34
+ 22 H10 -6.9217 -21.3492 25.2652 H 1 TYR 0.0525
35
+ 23 H11 -4.9679 -22.9609 27.7560 H 1 TYR 0.2458
36
+ 24 N -1.8880 -16.5480 22.4130 N.am 1 ARG -0.2609
37
+ 25 CA -2.5660 -15.9670 21.2140 C.3 1 ARG 0.1312
38
+ 26 C -3.2450 -14.5470 21.3040 C.2 1 ARG 0.2037
39
+ 27 O -4.2840 -14.3210 21.9350 O.2 1 ARG -0.3944
40
+ 28 CB -3.5170 -17.0230 20.5750 C.3 1 ARG -0.0092
41
+ 29 CG -2.7980 -18.2520 19.9470 C.3 1 ARG -0.0156
42
+ 30 CD -3.3470 -19.6410 20.3340 C.3 1 ARG 0.0627
43
+ 31 NE -4.3510 -20.1400 19.3600 N.pl3 1 ARG -0.2723
44
+ 32 CZ -4.4170 -21.4040 18.9010 C.cat 1 ARG 0.2882
45
+ 33 NH1 -3.5950 -22.3830 19.2830 N.pl3 1 ARG -0.2849
46
+ 34 NH2 -5.3550 -21.6930 18.0190 N.pl3 1 ARG -0.2849
47
+ 35 H12 -1.2282 -17.2869 22.2762 H 1 ARG 0.1885
48
+ 36 H13 -1.7512 -15.8221 20.4893 H 1 ARG 0.0800
49
+ 37 H14 -4.0988 -16.5261 19.7847 H 1 ARG 0.0313
50
+ 38 H15 -4.1984 -17.3881 21.3575 H 1 ARG 0.0313
51
+ 39 H16 -1.7417 -18.2132 20.2516 H 1 ARG 0.0301
52
+ 40 H17 -2.8680 -18.1576 18.8533 H 1 ARG 0.0301
53
+ 41 H18 -3.8193 -19.5715 21.3250 H 1 ARG 0.0689
54
+ 42 H19 -2.5099 -20.3534 20.3759 H 1 ARG 0.0689
55
+ 43 H20 -5.0491 -19.4688 19.0094 H 1 ARG 0.2642
56
+ 44 H21 -3.7030 -23.3289 18.8900 H 1 ARG 0.2615
57
+ 45 H22 -2.8524 -22.1929 19.9709 H 1 ARG 0.2615
58
+ 46 H23 -6.0068 -20.9612 17.7019 H 1 ARG 0.2615
59
+ 47 H24 -5.4353 -22.6504 17.6476 H 1 ARG 0.2615
60
+ 48 N -2.5830 -13.6300 20.6030 N.am 1 GLY -0.2664
61
+ 49 CA -3.0860 -12.3140 20.1870 C.3 1 GLY 0.1201
62
+ 50 C -1.8470 -11.4510 19.8850 C.2 1 GLY 0.2008
63
+ 51 O -1.5600 -10.5620 20.6890 O.2 1 GLY -0.3947
64
+ 52 H25 -1.6483 -13.8600 20.3319 H 1 GLY 0.1881
65
+ 53 H26 -3.6780 -11.8600 20.9953 H 1 GLY 0.0763
66
+ 54 H27 -3.7098 -12.4124 19.2864 H 1 GLY 0.0763
67
+ 55 N -1.0280 -11.5650 18.8160 N.am 1 TRP -0.2629
68
+ 56 CA -1.0440 -12.5820 17.7210 C.3 1 TRP 0.1352
69
+ 57 C -1.8550 -12.0270 16.5330 C.2 1 TRP 0.2052
70
+ 58 O -3.0860 -11.9980 16.5940 O.2 1 TRP -0.3942
71
+ 59 CB -1.0440 -14.1550 17.9460 C.3 1 TRP 0.0042
72
+ 60 CG -2.1540 -15.0870 17.3660 C.2 1 TRP -0.0418
73
+ 61 CD1 -3.5620 -14.9340 17.4550 C.2 1 TRP 0.0167
74
+ 62 CD2 -1.9850 -16.2880 16.6720 C.ar 1 TRP -0.0214
75
+ 63 NE1 -4.2640 -15.9860 16.8310 N.pl3 1 TRP -0.2890
76
+ 64 CE2 -3.2670 -16.8070 16.3470 C.ar 1 TRP 0.0603
77
+ 65 CE3 -0.8180 -17.0160 16.3150 C.ar 1 TRP -0.0747
78
+ 66 CZ2 -3.3880 -18.0380 15.6510 C.ar 1 TRP -0.0443
79
+ 67 CZ3 -0.9590 -18.2150 15.6180 C.ar 1 TRP -0.0792
80
+ 68 CH2 -2.2240 -18.7190 15.2900 C.ar 1 TRP -0.0768
81
+ 69 H28 -0.3107 -10.8716 18.7482 H 1 TRP 0.1884
82
+ 70 H29 -0.0146 -12.4751 17.3483 H 1 TRP 0.0815
83
+ 71 H30 -1.0562 -14.3074 19.0353 H 1 TRP 0.0397
84
+ 72 H31 -0.0920 -14.5220 17.5350 H 1 TRP 0.0397
85
+ 73 H32 -4.0478 -14.0952 17.9513 H 1 TRP 0.0795
86
+ 74 H33 -5.2834 -16.1119 16.7545 H 1 TRP 0.2216
87
+ 75 H34 0.1655 -16.6452 16.5802 H 1 TRP 0.0540
88
+ 76 H35 -4.3638 -18.4410 15.4049 H 1 TRP 0.0541
89
+ 77 H36 -0.0736 -18.7673 15.3245 H 1 TRP 0.0510
90
+ 78 H37 -2.3005 -19.6538 14.7466 H 1 TRP 0.0530
91
+ 79 N -1.1610 -11.6770 15.4330 N.am 1 LYS -0.2636
92
+ 80 CA -1.2620 -12.4440 14.1580 C.3 1 LYS 0.1310
93
+ 81 C -2.6860 -12.9230 13.7160 C.2 1 LYS 0.2040
94
+ 82 O -3.1480 -13.9310 14.2510 O.2 1 LYS -0.3944
95
+ 83 CB -0.1840 -13.5880 14.1550 C.3 1 LYS -0.0122
96
+ 84 CG 1.2490 -13.2600 13.6670 C.3 1 LYS -0.0440
97
+ 85 CD 2.0870 -12.2190 14.4410 C.3 1 LYS -0.0124
98
+ 86 CE 2.4320 -10.9420 13.6490 C.3 1 LYS -0.0354
99
+ 87 NZ 1.3120 -10.0160 13.4120 N.4 1 LYS 0.2185
100
+ 88 H38 -0.5599 -10.8788 15.4724 H 1 LYS 0.1883
101
+ 89 H39 -0.9556 -11.7381 13.3720 H 1 LYS 0.0800
102
+ 90 H40 -0.5684 -14.3932 13.5117 H 1 LYS 0.0312
103
+ 91 H41 -0.0978 -13.9541 15.1887 H 1 LYS 0.0312
104
+ 92 H42 1.1613 -12.8972 12.6323 H 1 LYS 0.0269
105
+ 93 H43 1.8163 -14.2023 13.6784 H 1 LYS 0.0269
106
+ 94 H44 3.0298 -12.6974 14.7447 H 1 LYS 0.0317
107
+ 95 H45 1.5210 -11.9228 15.3365 H 1 LYS 0.0317
108
+ 96 H46 2.8301 -11.2483 12.6704 H 1 LYS 0.0813
109
+ 97 H47 3.2083 -10.3977 14.2067 H 1 LYS 0.0813
110
+ 98 H48 1.6400 -9.2187 12.8898 H 1 LYS 0.1994
111
+ 99 H49 0.9379 -9.7079 14.2959 H 1 LYS 0.1994
112
+ 100 H50 0.5914 -10.4874 12.8881 H 1 LYS 0.1994
113
+ 101 N -3.4850 -12.3300 12.7950 N.am 1 HIS -0.2625
114
+ 102 CA -3.1050 -11.2480 11.8330 C.3 1 HIS 0.1369
115
+ 103 C -2.0580 -11.6930 10.7460 C.2 1 HIS 0.2054
116
+ 104 O -1.8930 -12.8980 10.5290 O.2 1 HIS -0.3942
117
+ 105 CB -3.0040 -9.8650 12.5550 C.3 1 HIS 0.0145
118
+ 106 CG -3.2360 -8.6290 11.6830 C.2 1 HIS -0.0027
119
+ 107 ND1 -4.4150 -8.3210 11.0110 N.2 1 HIS -0.3252
120
+ 108 CD2 -2.2790 -7.6210 11.4680 C.2 1 HIS 0.0291
121
+ 109 CE1 -4.0470 -7.1410 10.4220 C.2 1 HIS 0.0907
122
+ 110 NE2 -2.7930 -6.6360 10.6450 N.pl3 1 HIS -0.2752
123
+ 111 H51 -4.4314 -12.6504 12.7539 H 1 HIS 0.1885
124
+ 112 H52 -4.0105 -11.1197 11.2218 H 1 HIS 0.0817
125
+ 113 H53 -1.9961 -9.7855 12.9884 H 1 HIS 0.0420
126
+ 114 H54 -3.7520 -9.8520 13.3614 H 1 HIS 0.0420
127
+ 115 H55 -1.2751 -7.6169 11.8901 H 1 HIS 0.0729
128
+ 116 H56 -4.7466 -6.6073 9.7804 H 1 HIS 0.1199
129
+ 117 H57 -2.3573 -5.7695 10.2983 H 1 HIS 0.2361
130
+ 118 H58 -1.2898 -9.8640 10.3109 H 1 TRP 0.1884
131
+ 119 N -1.4790 -10.7760 9.9470 N.am 1 TRP -0.2625
132
+ 120 CA -1.1120 -11.0840 8.5330 C.3 1 TRP 0.1352
133
+ 121 C 0.3890 -10.6900 8.2630 C.2 1 TRP 0.2052
134
+ 122 O 1.2230 -11.4520 8.7530 O.2 1 TRP -0.3942
135
+ 123 CB -2.3060 -10.5930 7.6580 C.3 1 TRP 0.0042
136
+ 124 CG -3.4800 -11.5750 7.5710 C.2 1 TRP -0.0418
137
+ 125 CD1 -4.6730 -11.5180 8.3150 C.2 1 TRP 0.0167
138
+ 126 CD2 -3.4930 -12.8030 6.9460 C.ar 1 TRP -0.0214
139
+ 127 NE1 -5.4540 -12.6740 8.1390 N.pl3 1 TRP -0.2890
140
+ 128 CE2 -4.6940 -13.4630 7.2930 C.ar 1 TRP 0.0603
141
+ 129 CE3 -2.4900 -13.4750 6.2070 C.ar 1 TRP -0.0747
142
+ 130 CZ2 -4.9090 -14.8040 6.8890 C.ar 1 TRP -0.0443
143
+ 131 CZ3 -2.7270 -14.7850 5.8000 C.ar 1 TRP -0.0792
144
+ 132 CH2 -3.9200 -15.4400 6.1260 C.ar 1 TRP -0.0768
145
+ 133 H59 -1.1204 -12.1785 8.4234 H 1 TRP 0.0815
146
+ 134 H60 -1.9332 -10.4129 6.6389 H 1 TRP 0.0397
147
+ 135 H61 -2.6786 -9.6499 8.0842 H 1 TRP 0.0397
148
+ 136 H62 -4.9570 -10.6802 8.9501 H 1 TRP 0.0795
149
+ 137 H63 -6.3768 -12.8846 8.5451 H 1 TRP 0.2216
150
+ 138 H64 -1.5570 -12.9799 5.9631 H 1 TRP 0.0540
151
+ 139 H65 -5.8181 -15.3265 7.1639 H 1 TRP 0.0541
152
+ 140 H66 -1.9742 -15.3069 5.2204 H 1 TRP 0.0510
153
+ 141 H67 -4.0818 -16.4555 5.7829 H 1 TRP 0.0530
154
+ 142 H68 1.9209 -9.4614 7.8819 H 1 VAL 0.1883
155
+ 143 N 0.9600 -9.6200 7.6550 N.am 1 VAL -0.2634
156
+ 144 CA 0.3590 -8.6420 6.6930 C.3 1 VAL 0.1333
157
+ 145 C -0.7730 -7.7290 7.3090 C.2 1 VAL 0.2043
158
+ 146 O -1.0400 -7.8640 8.5020 O.2 1 VAL -0.3944
159
+ 147 CB 0.3770 -9.1520 5.1910 C.3 1 VAL -0.0063
160
+ 148 CG1 1.7860 -9.1540 4.5520 C.3 1 VAL -0.0584
161
+ 149 CG2 -0.2910 -10.4800 4.7690 C.3 1 VAL -0.0584
162
+ 150 H69 1.1617 -7.8926 6.6294 H 1 VAL 0.0802
163
+ 151 H70 -0.1963 -8.3777 4.6603 H 1 VAL 0.0343
164
+ 152 H71 1.7183 -9.5180 3.5162 H 1 VAL 0.0234
165
+ 153 H72 2.4498 -9.8139 5.1299 H 1 VAL 0.0234
166
+ 154 H73 2.1917 -8.1316 4.5555 H 1 VAL 0.0234
167
+ 155 H74 -1.3026 -10.5339 5.1976 H 1 VAL 0.0234
168
+ 156 H75 0.3087 -11.3254 5.1373 H 1 VAL 0.0234
169
+ 157 H76 -0.3547 -10.5260 3.6718 H 1 VAL 0.0234
170
+ 158 H77 -2.3581 -6.5177 7.1976 H 1 TYR 0.1885
171
+ 159 N -1.4900 -6.7300 6.7490 N.am 1 TYR -0.2621
172
+ 160 CA -1.1640 -5.9020 5.5550 C.3 1 TYR 0.1390
173
+ 161 C -1.7540 -6.4260 4.2170 C.2 1 TYR 0.2058
174
+ 162 O -0.9960 -6.7190 3.2910 O.2 1 TYR -0.3942
175
+ 163 CB 0.2740 -5.2910 5.3630 C.3 1 TYR 0.0163
176
+ 164 CG 1.2020 -5.0320 6.5590 C.ar 1 TYR -0.0493
177
+ 165 CD1 0.7330 -4.4110 7.7180 C.ar 1 TYR -0.0685
178
+ 166 CD2 2.5110 -5.5310 6.5290 C.ar 1 TYR -0.0685
179
+ 167 CE1 1.5220 -4.3770 8.8630 C.ar 1 TYR -0.0398
180
+ 168 CE2 3.3020 -5.4900 7.6720 C.ar 1 TYR -0.0398
181
+ 169 CZ 2.7980 -4.9350 8.8470 C.ar 1 TYR 0.0805
182
+ 170 OH 3.5360 -4.9750 10.0000 O.3 1 TYR -0.3376
183
+ 171 H78 -1.7641 -5.0012 5.7512 H 1 TYR 0.0821
184
+ 172 H79 0.1349 -4.3214 4.8625 H 1 TYR 0.0453
185
+ 173 H80 0.8150 -5.9753 4.6929 H 1 TYR 0.0453
186
+ 174 H81 -0.2497 -3.9536 7.7256 H 1 TYR 0.0530
187
+ 175 H82 2.9084 -5.9504 5.6118 H 1 TYR 0.0530
188
+ 176 H83 1.1436 -3.9160 9.7682 H 1 TYR 0.0525
189
+ 177 H84 4.3095 -5.8893 7.6492 H 1 TYR 0.0525
190
+ 178 H85 3.0499 -4.5561 10.7005 H 1 TYR 0.2458
191
+ 179 H86 -3.6985 -6.4950 4.8268 H 1 TYR 0.1885
192
+ 180 N -3.0890 -6.4880 4.0340 N.am 1 TYR -0.2620
193
+ 181 CA -3.6620 -6.5460 2.6620 C.3 1 TYR 0.1390
194
+ 182 C -4.9020 -5.6300 2.4820 C.2 1 TYR 0.2058
195
+ 183 O -5.9630 -5.8110 3.0860 O.2 1 TYR -0.3942
196
+ 184 CB -3.8790 -7.9400 1.9860 C.3 1 TYR 0.0163
197
+ 185 CG -3.9340 -9.2810 2.7390 C.ar 1 TYR -0.0493
198
+ 186 CD1 -5.0700 -9.6430 3.4730 C.ar 1 TYR -0.0685
199
+ 187 CD2 -2.9890 -10.2580 2.4140 C.ar 1 TYR -0.0685
200
+ 188 CE1 -5.2900 -10.9810 3.8000 C.ar 1 TYR -0.0398
201
+ 189 CE2 -3.2020 -11.5880 2.7570 C.ar 1 TYR -0.0398
202
+ 190 CZ -4.3690 -11.9570 3.4210 C.ar 1 TYR 0.0805
203
+ 191 OH -4.6410 -13.2850 3.6400 O.3 1 TYR -0.3376
204
+ 192 H87 -2.8800 -6.0806 2.0441 H 1 TYR 0.0821
205
+ 193 H88 -3.0613 -8.0446 1.2577 H 1 TYR 0.0453
206
+ 194 H89 -4.8377 -7.8625 1.4523 H 1 TYR 0.0453
207
+ 195 H90 -5.7778 -8.8843 3.7868 H 1 TYR 0.0530
208
+ 196 H91 -2.0827 -9.9763 1.8902 H 1 TYR 0.0530
209
+ 197 H92 -6.1801 -11.2631 4.3507 H 1 TYR 0.0525
210
+ 198 H93 -2.4599 -12.3378 2.5077 H 1 TYR 0.0525
211
+ 199 H94 -5.4677 -13.3659 4.1010 H 1 TYR 0.2458
212
+ 200 H95 -3.8485 -4.3455 1.3660 H 1 THR 0.1884
213
+ 201 N -4.7500 -4.7660 1.4690 N.am 1 THR -0.2612
214
+ 202 CA -5.7920 -4.3710 0.4820 C.3 1 THR 0.1565
215
+ 203 C -6.9020 -5.3830 0.0260 C.2 1 THR 0.2065
216
+ 204 O -7.9020 -4.9160 -0.5290 O.2 1 THR -0.3943
217
+ 205 CB -5.1110 -3.7460 -0.7940 C.3 1 THR 0.0924
218
+ 206 OG1 -3.6830 -3.8280 -0.8270 O.3 1 THR -0.3874
219
+ 207 CG2 -5.5180 -2.2960 -1.0850 C.3 1 THR -0.0346
220
+ 208 H96 -6.3447 -3.5592 0.9775 H 1 THR 0.0826
221
+ 209 H97 -5.4752 -4.3486 -1.6391 H 1 THR 0.0639
222
+ 210 H98 -3.4140 -4.7214 -0.6483 H 1 THR 0.2101
223
+ 211 H99 -4.9977 -1.9433 -1.9877 H 1 THR 0.0257
224
+ 212 H100 -5.2430 -1.6595 -0.2311 H 1 THR 0.0257
225
+ 213 H101 -6.6051 -2.2453 -1.2450 H 1 THR 0.0257
226
+ 214 H102 -5.8618 -7.0502 0.5181 H 1 CYS 0.1884
227
+ 215 N -6.7630 -6.7160 0.2420 N.am 1 CYS -0.2628
228
+ 216 CA -7.8580 -7.7170 0.0970 C.3 1 CYS 0.1406
229
+ 217 C -9.2160 -7.2530 0.6580 C.2 1 CYS 0.2048
230
+ 218 O -9.3140 -6.5880 1.7000 O.2 1 CYS -0.3944
231
+ 219 CB -7.5200 -9.0280 0.8610 C.3 1 CYS 0.0443
232
+ 220 SG -8.9430 -10.1620 1.0690 S.3 1 CYS -0.0882
233
+ 221 H103 -7.9727 -7.9360 -0.9748 H 1 CYS 0.0808
234
+ 222 H104 -7.1444 -8.7588 1.8592 H 1 CYS 0.0432
235
+ 223 H105 -6.7339 -9.5591 0.3043 H 1 CYS 0.0432
236
+ 224 H106 -10.0845 -8.1150 -0.9409 H 1 CYS 0.1884
237
+ 225 N -10.2520 -7.7260 -0.0350 N.am 1 CYS -0.2629
238
+ 226 CA -11.6330 -7.7000 0.4770 C.3 1 CYS 0.1408
239
+ 227 C -12.1340 -6.2280 0.7270 C.2 1 CYS 0.2072
240
+ 228 O -12.3630 -5.8650 1.8850 O.2 1 CYS -0.3942
241
+ 229 CB -11.8560 -8.7700 1.5900 C.3 1 CYS 0.0443
242
+ 230 SG -10.3410 -9.4410 2.3720 S.3 1 CYS -0.0882
243
+ 231 H107 -12.2577 -8.0529 -0.3568 H 1 CYS 0.0809
244
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+ M END
631
+ $$$$
1idg/1idg_protein_esmfold_aligned_tr_fix.pdb ADDED
@@ -0,0 +1,564 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ REMARK 1 CREATED WITH OPENMM 8.0, 2023-02-20
2
+ ATOM 1 N ILE A 1 -4.031 17.243 -3.803 1.00 0.00 N
3
+ ATOM 2 CA ILE A 1 -3.833 16.065 -4.640 1.00 0.00 C
4
+ ATOM 3 C ILE A 1 -4.584 14.876 -4.046 1.00 0.00 C
5
+ ATOM 4 CB ILE A 1 -2.332 15.728 -4.795 1.00 0.00 C
6
+ ATOM 5 O ILE A 1 -4.847 14.838 -2.842 1.00 0.00 O
7
+ ATOM 6 CG1 ILE A 1 -2.120 14.767 -5.970 1.00 0.00 C
8
+ ATOM 7 CG2 ILE A 1 -1.775 15.138 -3.496 1.00 0.00 C
9
+ ATOM 8 CD1 ILE A 1 -0.664 14.614 -6.389 1.00 0.00 C
10
+ ATOM 9 N VAL A 2 -5.055 13.979 -4.838 1.00 0.00 N
11
+ ATOM 10 CA VAL A 2 -5.760 12.764 -4.445 1.00 0.00 C
12
+ ATOM 11 C VAL A 2 -4.874 11.546 -4.699 1.00 0.00 C
13
+ ATOM 12 CB VAL A 2 -7.100 12.615 -5.202 1.00 0.00 C
14
+ ATOM 13 O VAL A 2 -4.349 11.372 -5.800 1.00 0.00 O
15
+ ATOM 14 CG1 VAL A 2 -7.821 11.336 -4.777 1.00 0.00 C
16
+ ATOM 15 CG2 VAL A 2 -7.986 13.836 -4.963 1.00 0.00 C
17
+ ATOM 16 N CYS A 3 -4.711 10.700 -3.649 1.00 0.00 N
18
+ ATOM 17 CA CYS A 3 -3.867 9.515 -3.753 1.00 0.00 C
19
+ ATOM 18 C CYS A 3 -4.632 8.263 -3.340 1.00 0.00 C
20
+ ATOM 19 CB CYS A 3 -2.616 9.668 -2.888 1.00 0.00 C
21
+ ATOM 20 O CYS A 3 -5.560 8.335 -2.533 1.00 0.00 O
22
+ ATOM 21 SG CYS A 3 -1.616 11.113 -3.305 1.00 0.00 S
23
+ ATOM 22 N HIS A 4 -4.214 7.125 -3.895 1.00 0.00 N
24
+ ATOM 23 CA HIS A 4 -4.656 5.860 -3.318 1.00 0.00 C
25
+ ATOM 24 C HIS A 4 -3.966 5.593 -1.984 1.00 0.00 C
26
+ ATOM 25 CB HIS A 4 -4.389 4.708 -4.287 1.00 0.00 C
27
+ ATOM 26 O HIS A 4 -2.809 5.972 -1.791 1.00 0.00 O
28
+ ATOM 27 CG HIS A 4 -5.240 4.748 -5.516 1.00 0.00 C
29
+ ATOM 28 CD2 HIS A 4 -4.942 5.080 -6.794 1.00 0.00 C
30
+ ATOM 29 ND1 HIS A 4 -6.579 4.419 -5.505 1.00 0.00 N
31
+ ATOM 30 CE1 HIS A 4 -7.068 4.548 -6.726 1.00 0.00 C
32
+ ATOM 31 NE2 HIS A 4 -6.095 4.948 -7.528 1.00 0.00 N
33
+ ATOM 32 N THR A 5 -4.679 4.919 -1.114 1.00 0.00 N
34
+ ATOM 33 CA THR A 5 -4.103 4.655 0.201 1.00 0.00 C
35
+ ATOM 34 C THR A 5 -4.511 3.272 0.700 1.00 0.00 C
36
+ ATOM 35 CB THR A 5 -4.535 5.721 1.224 1.00 0.00 C
37
+ ATOM 36 O THR A 5 -5.592 2.780 0.371 1.00 0.00 O
38
+ ATOM 37 CG2 THR A 5 -6.054 5.796 1.333 1.00 0.00 C
39
+ ATOM 38 OG1 THR A 5 -3.991 5.391 2.508 1.00 0.00 O
40
+ ATOM 39 N THR A 6 -3.668 2.654 1.451 1.00 0.00 N
41
+ ATOM 40 CA THR A 6 -3.930 1.404 2.156 1.00 0.00 C
42
+ ATOM 41 C THR A 6 -4.253 1.669 3.623 1.00 0.00 C
43
+ ATOM 42 CB THR A 6 -2.729 0.445 2.058 1.00 0.00 C
44
+ ATOM 43 O THR A 6 -4.390 0.732 4.414 1.00 0.00 O
45
+ ATOM 44 CG2 THR A 6 -2.521 -0.031 0.624 1.00 0.00 C
46
+ ATOM 45 OG1 THR A 6 -1.546 1.122 2.501 1.00 0.00 O
47
+ ATOM 46 N ALA A 7 -4.306 2.944 4.024 1.00 0.00 N
48
+ ATOM 47 CA ALA A 7 -4.614 3.257 5.416 1.00 0.00 C
49
+ ATOM 48 C ALA A 7 -6.061 2.906 5.752 1.00 0.00 C
50
+ ATOM 49 CB ALA A 7 -4.347 4.732 5.703 1.00 0.00 C
51
+ ATOM 50 O ALA A 7 -6.418 2.769 6.924 1.00 0.00 O
52
+ ATOM 51 N THR A 8 -6.786 2.821 4.686 1.00 0.00 N
53
+ ATOM 52 CA THR A 8 -8.182 2.420 4.815 1.00 0.00 C
54
+ ATOM 53 C THR A 8 -8.438 1.110 4.073 1.00 0.00 C
55
+ ATOM 54 CB THR A 8 -9.129 3.509 4.279 1.00 0.00 C
56
+ ATOM 55 O THR A 8 -7.632 0.696 3.238 1.00 0.00 O
57
+ ATOM 56 CG2 THR A 8 -8.896 4.838 4.989 1.00 0.00 C
58
+ ATOM 57 OG1 THR A 8 -8.902 3.684 2.875 1.00 0.00 O
59
+ ATOM 58 N SER A 9 -9.348 0.357 4.500 1.00 0.00 N
60
+ ATOM 59 CA SER A 9 -9.854 -0.827 3.815 1.00 0.00 C
61
+ ATOM 60 C SER A 9 -11.327 -0.669 3.454 1.00 0.00 C
62
+ ATOM 61 CB SER A 9 -9.664 -2.073 4.681 1.00 0.00 C
63
+ ATOM 62 O SER A 9 -12.142 -0.296 4.300 1.00 0.00 O
64
+ ATOM 63 OG SER A 9 -10.121 -3.231 4.005 1.00 0.00 O
65
+ ATOM 64 N PRO A 10 -11.464 -0.896 2.263 1.00 0.00 N
66
+ ATOM 65 CA PRO A 10 -10.613 -1.271 1.132 1.00 0.00 C
67
+ ATOM 66 C PRO A 10 -9.735 -0.119 0.647 1.00 0.00 C
68
+ ATOM 67 CB PRO A 10 -11.621 -1.679 0.053 1.00 0.00 C
69
+ ATOM 68 O PRO A 10 -9.859 1.006 1.138 1.00 0.00 O
70
+ ATOM 69 CG PRO A 10 -12.805 -0.797 0.283 1.00 0.00 C
71
+ ATOM 70 CD PRO A 10 -12.928 -0.539 1.757 1.00 0.00 C
72
+ ATOM 71 N ILE A 11 -8.694 -0.434 -0.201 1.00 0.00 N
73
+ ATOM 72 CA ILE A 11 -7.905 0.625 -0.823 1.00 0.00 C
74
+ ATOM 73 C ILE A 11 -8.833 1.716 -1.354 1.00 0.00 C
75
+ ATOM 74 CB ILE A 11 -7.019 0.074 -1.962 1.00 0.00 C
76
+ ATOM 75 O ILE A 11 -9.819 1.424 -2.033 1.00 0.00 O
77
+ ATOM 76 CG1 ILE A 11 -5.980 -0.906 -1.404 1.00 0.00 C
78
+ ATOM 77 CG2 ILE A 11 -6.340 1.219 -2.720 1.00 0.00 C
79
+ ATOM 78 CD1 ILE A 11 -5.302 -1.761 -2.466 1.00 0.00 C
80
+ ATOM 79 N SER A 12 -8.575 2.889 -1.052 1.00 0.00 N
81
+ ATOM 80 CA SER A 12 -9.431 4.011 -1.423 1.00 0.00 C
82
+ ATOM 81 C SER A 12 -8.606 5.217 -1.858 1.00 0.00 C
83
+ ATOM 82 CB SER A 12 -10.342 4.399 -0.258 1.00 0.00 C
84
+ ATOM 83 O SER A 12 -7.404 5.283 -1.590 1.00 0.00 O
85
+ ATOM 84 OG SER A 12 -9.578 4.781 0.872 1.00 0.00 O
86
+ ATOM 85 N ALA A 13 -9.254 6.028 -2.583 1.00 0.00 N
87
+ ATOM 86 CA ALA A 13 -8.643 7.305 -2.944 1.00 0.00 C
88
+ ATOM 87 C ALA A 13 -8.975 8.381 -1.915 1.00 0.00 C
89
+ ATOM 88 CB ALA A 13 -9.105 7.741 -4.332 1.00 0.00 C
90
+ ATOM 89 O ALA A 13 -10.131 8.532 -1.515 1.00 0.00 O
91
+ ATOM 90 N VAL A 14 -8.053 9.075 -1.495 1.00 0.00 N
92
+ ATOM 91 CA VAL A 14 -8.272 10.095 -0.475 1.00 0.00 C
93
+ ATOM 92 C VAL A 14 -7.612 11.404 -0.903 1.00 0.00 C
94
+ ATOM 93 CB VAL A 14 -7.728 9.649 0.900 1.00 0.00 C
95
+ ATOM 94 O VAL A 14 -6.567 11.394 -1.558 1.00 0.00 O
96
+ ATOM 95 CG1 VAL A 14 -8.449 8.392 1.384 1.00 0.00 C
97
+ ATOM 96 CG2 VAL A 14 -6.221 9.410 0.826 1.00 0.00 C
98
+ ATOM 97 N THR A 15 -8.249 12.563 -0.527 1.00 0.00 N
99
+ ATOM 98 CA THR A 15 -7.596 13.859 -0.675 1.00 0.00 C
100
+ ATOM 99 C THR A 15 -6.474 14.018 0.346 1.00 0.00 C
101
+ ATOM 100 CB THR A 15 -8.603 15.013 -0.519 1.00 0.00 C
102
+ ATOM 101 O THR A 15 -6.701 13.889 1.551 1.00 0.00 O
103
+ ATOM 102 CG2 THR A 15 -7.923 16.365 -0.702 1.00 0.00 C
104
+ ATOM 103 OG1 THR A 15 -9.637 14.874 -1.502 1.00 0.00 O
105
+ ATOM 104 N CYS A 16 -5.306 14.243 -0.095 1.00 0.00 N
106
+ ATOM 105 CA CYS A 16 -4.138 14.347 0.773 1.00 0.00 C
107
+ ATOM 106 C CYS A 16 -4.262 15.538 1.714 1.00 0.00 C
108
+ ATOM 107 CB CYS A 16 -2.862 14.473 -0.058 1.00 0.00 C
109
+ ATOM 108 O CYS A 16 -4.776 16.589 1.328 1.00 0.00 O
110
+ ATOM 109 SG CYS A 16 -2.504 13.020 -1.069 1.00 0.00 S
111
+ ATOM 110 N PRO A 17 -3.872 15.414 2.949 1.00 0.00 N
112
+ ATOM 111 CA PRO A 17 -3.831 16.562 3.859 1.00 0.00 C
113
+ ATOM 112 C PRO A 17 -2.945 17.693 3.341 1.00 0.00 C
114
+ ATOM 113 CB PRO A 17 -3.260 15.968 5.149 1.00 0.00 C
115
+ ATOM 114 O PRO A 17 -2.053 17.458 2.522 1.00 0.00 O
116
+ ATOM 115 CG PRO A 17 -3.463 14.494 5.014 1.00 0.00 C
117
+ ATOM 116 CD PRO A 17 -3.434 14.139 3.556 1.00 0.00 C
118
+ ATOM 117 N PRO A 18 -3.199 18.863 3.893 1.00 0.00 N
119
+ ATOM 118 CA PRO A 18 -2.372 19.995 3.472 1.00 0.00 C
120
+ ATOM 119 C PRO A 18 -0.880 19.747 3.688 1.00 0.00 C
121
+ ATOM 120 CB PRO A 18 -2.868 21.143 4.354 1.00 0.00 C
122
+ ATOM 121 O PRO A 18 -0.484 19.205 4.722 1.00 0.00 O
123
+ ATOM 122 CG PRO A 18 -4.253 20.746 4.754 1.00 0.00 C
124
+ ATOM 123 CD PRO A 18 -4.325 19.247 4.797 1.00 0.00 C
125
+ ATOM 124 N GLY A 19 -0.061 20.037 2.701 1.00 0.00 N
126
+ ATOM 125 CA GLY A 19 1.381 19.881 2.803 1.00 0.00 C
127
+ ATOM 126 C GLY A 19 1.887 18.590 2.188 1.00 0.00 C
128
+ ATOM 127 O GLY A 19 3.089 18.432 1.965 1.00 0.00 O
129
+ ATOM 128 N GLU A 20 0.959 17.646 2.060 1.00 0.00 N
130
+ ATOM 129 CA GLU A 20 1.331 16.399 1.399 1.00 0.00 C
131
+ ATOM 130 C GLU A 20 0.908 16.405 -0.068 1.00 0.00 C
132
+ ATOM 131 CB GLU A 20 0.708 15.201 2.120 1.00 0.00 C
133
+ ATOM 132 O GLU A 20 -0.246 16.112 -0.388 1.00 0.00 O
134
+ ATOM 133 CG GLU A 20 1.216 15.006 3.541 1.00 0.00 C
135
+ ATOM 134 CD GLU A 20 0.697 13.736 4.195 1.00 0.00 C
136
+ ATOM 135 OE1 GLU A 20 0.214 12.835 3.473 1.00 0.00 O
137
+ ATOM 136 OE2 GLU A 20 0.773 13.642 5.441 1.00 0.00 O
138
+ ATOM 137 N ASN A 21 1.873 16.657 -0.970 1.00 0.00 N
139
+ ATOM 138 CA ASN A 21 1.572 16.859 -2.383 1.00 0.00 C
140
+ ATOM 139 C ASN A 21 2.064 15.691 -3.233 1.00 0.00 C
141
+ ATOM 140 CB ASN A 21 2.181 18.171 -2.880 1.00 0.00 C
142
+ ATOM 141 O ASN A 21 2.177 15.811 -4.454 1.00 0.00 O
143
+ ATOM 142 CG ASN A 21 1.616 19.384 -2.167 1.00 0.00 C
144
+ ATOM 143 ND2 ASN A 21 2.492 20.298 -1.766 1.00 0.00 N
145
+ ATOM 144 OD1 ASN A 21 0.403 19.498 -1.977 1.00 0.00 O
146
+ ATOM 145 N LEU A 22 2.431 14.619 -2.617 1.00 0.00 N
147
+ ATOM 146 CA LEU A 22 2.932 13.450 -3.333 1.00 0.00 C
148
+ ATOM 147 C LEU A 22 2.108 12.211 -2.994 1.00 0.00 C
149
+ ATOM 148 CB LEU A 22 4.405 13.205 -2.997 1.00 0.00 C
150
+ ATOM 149 O LEU A 22 1.651 12.056 -1.860 1.00 0.00 O
151
+ ATOM 150 CG LEU A 22 5.377 14.331 -3.351 1.00 0.00 C
152
+ ATOM 151 CD1 LEU A 22 6.750 14.055 -2.749 1.00 0.00 C
153
+ ATOM 152 CD2 LEU A 22 5.475 14.499 -4.863 1.00 0.00 C
154
+ ATOM 153 N CYS A 23 1.823 11.462 -4.008 1.00 0.00 N
155
+ ATOM 154 CA CYS A 23 1.389 10.082 -3.826 1.00 0.00 C
156
+ ATOM 155 C CYS A 23 2.581 9.132 -3.815 1.00 0.00 C
157
+ ATOM 156 CB CYS A 23 0.412 9.677 -4.928 1.00 0.00 C
158
+ ATOM 157 O CYS A 23 3.515 9.292 -4.603 1.00 0.00 O
159
+ ATOM 158 SG CYS A 23 -1.026 10.763 -5.062 1.00 0.00 S
160
+ ATOM 159 N TYR A 24 2.564 8.143 -2.897 1.00 0.00 N
161
+ ATOM 160 CA TYR A 24 3.658 7.181 -2.957 1.00 0.00 C
162
+ ATOM 161 C TYR A 24 3.128 5.754 -3.003 1.00 0.00 C
163
+ ATOM 162 CB TYR A 24 4.591 7.353 -1.755 1.00 0.00 C
164
+ ATOM 163 O TYR A 24 2.014 5.484 -2.549 1.00 0.00 O
165
+ ATOM 164 CG TYR A 24 4.012 6.840 -0.459 1.00 0.00 C
166
+ ATOM 165 CD1 TYR A 24 3.228 7.660 0.350 1.00 0.00 C
167
+ ATOM 166 CD2 TYR A 24 4.249 5.535 -0.040 1.00 0.00 C
168
+ ATOM 167 CE1 TYR A 24 2.694 7.192 1.545 1.00 0.00 C
169
+ ATOM 168 CE2 TYR A 24 3.720 5.056 1.155 1.00 0.00 C
170
+ ATOM 169 OH TYR A 24 2.419 5.422 3.122 1.00 0.00 O
171
+ ATOM 170 CZ TYR A 24 2.945 5.891 1.939 1.00 0.00 C
172
+ ATOM 171 N ARG A 25 3.936 4.948 -3.592 1.00 0.00 N
173
+ ATOM 172 CA ARG A 25 3.795 3.495 -3.559 1.00 0.00 C
174
+ ATOM 173 C ARG A 25 5.083 2.832 -3.081 1.00 0.00 C
175
+ ATOM 174 CB ARG A 25 3.411 2.960 -4.940 1.00 0.00 C
176
+ ATOM 175 O ARG A 25 6.153 3.058 -3.651 1.00 0.00 O
177
+ ATOM 176 CG ARG A 25 3.218 1.453 -4.985 1.00 0.00 C
178
+ ATOM 177 CD ARG A 25 2.901 0.967 -6.392 1.00 0.00 C
179
+ ATOM 178 NE ARG A 25 4.087 0.967 -7.243 1.00 0.00 N
180
+ ATOM 179 NH1 ARG A 25 2.917 0.822 -9.229 1.00 0.00 N
181
+ ATOM 180 NH2 ARG A 25 5.208 0.907 -9.247 1.00 0.00 N
182
+ ATOM 181 CZ ARG A 25 4.068 0.899 -8.572 1.00 0.00 C
183
+ ATOM 182 N LYS A 26 4.933 2.114 -2.053 1.00 0.00 N
184
+ ATOM 183 CA LYS A 26 6.024 1.336 -1.473 1.00 0.00 C
185
+ ATOM 184 C LYS A 26 5.728 -0.161 -1.540 1.00 0.00 C
186
+ ATOM 185 CB LYS A 26 6.272 1.755 -0.024 1.00 0.00 C
187
+ ATOM 186 O LYS A 26 4.655 -0.605 -1.124 1.00 0.00 O
188
+ ATOM 187 CG LYS A 26 7.599 1.270 0.543 1.00 0.00 C
189
+ ATOM 188 CD LYS A 26 7.872 1.868 1.917 1.00 0.00 C
190
+ ATOM 189 CE LYS A 26 9.111 1.257 2.558 1.00 0.00 C
191
+ ATOM 190 NZ LYS A 26 9.311 1.746 3.954 1.00 0.00 N
192
+ ATOM 191 N MET A 27 6.711 -0.915 -2.106 1.00 0.00 N
193
+ ATOM 192 CA MET A 27 6.531 -2.354 -2.273 1.00 0.00 C
194
+ ATOM 193 C MET A 27 7.746 -3.117 -1.759 1.00 0.00 C
195
+ ATOM 194 CB MET A 27 6.280 -2.698 -3.742 1.00 0.00 C
196
+ ATOM 195 O MET A 27 8.884 -2.687 -1.956 1.00 0.00 O
197
+ ATOM 196 CG MET A 27 5.055 -2.017 -4.330 1.00 0.00 C
198
+ ATOM 197 SD MET A 27 4.748 -2.504 -6.073 1.00 0.00 S
199
+ ATOM 198 CE MET A 27 6.360 -2.100 -6.805 1.00 0.00 C
200
+ ATOM 199 N TRP A 28 7.480 -4.185 -1.140 1.00 0.00 N
201
+ ATOM 200 CA TRP A 28 8.569 -5.038 -0.675 1.00 0.00 C
202
+ ATOM 201 C TRP A 28 8.111 -6.487 -0.547 1.00 0.00 C
203
+ ATOM 202 CB TRP A 28 9.107 -4.539 0.669 1.00 0.00 C
204
+ ATOM 203 O TRP A 28 6.912 -6.772 -0.604 1.00 0.00 O
205
+ ATOM 204 CG TRP A 28 8.133 -4.673 1.802 1.00 0.00 C
206
+ ATOM 205 CD1 TRP A 28 8.055 -5.696 2.705 1.00 0.00 C
207
+ ATOM 206 CD2 TRP A 28 7.094 -3.752 2.149 1.00 0.00 C
208
+ ATOM 207 CE2 TRP A 28 6.425 -4.281 3.274 1.00 0.00 C
209
+ ATOM 208 CE3 TRP A 28 6.665 -2.529 1.616 1.00 0.00 C
210
+ ATOM 209 NE1 TRP A 28 7.029 -5.466 3.593 1.00 0.00 N
211
+ ATOM 210 CH2 TRP A 28 4.948 -2.432 3.336 1.00 0.00 C
212
+ ATOM 211 CZ2 TRP A 28 5.348 -3.627 3.877 1.00 0.00 C
213
+ ATOM 212 CZ3 TRP A 28 5.593 -1.880 2.217 1.00 0.00 C
214
+ ATOM 213 N CYS A 29 9.035 -7.370 -0.451 1.00 0.00 N
215
+ ATOM 214 CA CYS A 29 8.743 -8.787 -0.270 1.00 0.00 C
216
+ ATOM 215 C CYS A 29 8.940 -9.203 1.183 1.00 0.00 C
217
+ ATOM 216 CB CYS A 29 9.628 -9.638 -1.179 1.00 0.00 C
218
+ ATOM 217 O CYS A 29 9.974 -8.903 1.783 1.00 0.00 O
219
+ ATOM 218 SG CYS A 29 8.996 -9.803 -2.863 1.00 0.00 S
220
+ ATOM 219 N ASP A 30 7.912 -9.767 1.716 1.00 0.00 N
221
+ ATOM 220 CA ASP A 30 8.093 -10.384 3.027 1.00 0.00 C
222
+ ATOM 221 C ASP A 30 8.073 -11.907 2.924 1.00 0.00 C
223
+ ATOM 222 CB ASP A 30 7.009 -9.909 3.998 1.00 0.00 C
224
+ ATOM 223 O ASP A 30 8.208 -12.463 1.832 1.00 0.00 O
225
+ ATOM 224 CG ASP A 30 5.617 -10.370 3.605 1.00 0.00 C
226
+ ATOM 225 OD1 ASP A 30 5.482 -11.143 2.633 1.00 0.00 O
227
+ ATOM 226 OD2 ASP A 30 4.645 -9.954 4.272 1.00 0.00 O
228
+ ATOM 227 N ALA A 31 7.889 -12.588 4.029 1.00 0.00 N
229
+ ATOM 228 CA ALA A 31 7.988 -14.045 4.075 1.00 0.00 C
230
+ ATOM 229 C ALA A 31 6.910 -14.695 3.212 1.00 0.00 C
231
+ ATOM 230 CB ALA A 31 7.885 -14.540 5.515 1.00 0.00 C
232
+ ATOM 231 O ALA A 31 7.038 -15.857 2.818 1.00 0.00 O
233
+ ATOM 232 N PHE A 32 5.845 -14.043 2.777 1.00 0.00 N
234
+ ATOM 233 CA PHE A 32 4.713 -14.621 2.065 1.00 0.00 C
235
+ ATOM 234 C PHE A 32 4.674 -14.133 0.622 1.00 0.00 C
236
+ ATOM 235 CB PHE A 32 3.398 -14.278 2.771 1.00 0.00 C
237
+ ATOM 236 O PHE A 32 3.651 -14.259 -0.055 1.00 0.00 O
238
+ ATOM 237 CG PHE A 32 3.340 -14.737 4.203 1.00 0.00 C
239
+ ATOM 238 CD1 PHE A 32 3.169 -16.082 4.510 1.00 0.00 C
240
+ ATOM 239 CD2 PHE A 32 3.455 -13.824 5.243 1.00 0.00 C
241
+ ATOM 240 CE1 PHE A 32 3.115 -16.510 5.834 1.00 0.00 C
242
+ ATOM 241 CE2 PHE A 32 3.402 -14.245 6.569 1.00 0.00 C
243
+ ATOM 242 CZ PHE A 32 3.231 -15.588 6.862 1.00 0.00 C
244
+ ATOM 243 N CYS A 33 5.773 -13.454 0.308 1.00 0.00 N
245
+ ATOM 244 CA CYS A 33 5.791 -12.820 -1.006 1.00 0.00 C
246
+ ATOM 245 C CYS A 33 5.596 -13.851 -2.111 1.00 0.00 C
247
+ ATOM 246 CB CYS A 33 7.105 -12.071 -1.221 1.00 0.00 C
248
+ ATOM 247 O CYS A 33 4.972 -13.561 -3.133 1.00 0.00 O
249
+ ATOM 248 SG CYS A 33 7.120 -11.038 -2.702 1.00 0.00 S
250
+ ATOM 249 N SER A 34 6.101 -15.130 -1.906 1.00 0.00 N
251
+ ATOM 250 CA SER A 34 5.967 -16.138 -2.951 1.00 0.00 C
252
+ ATOM 251 C SER A 34 4.507 -16.519 -3.170 1.00 0.00 C
253
+ ATOM 252 CB SER A 34 6.782 -17.385 -2.602 1.00 0.00 C
254
+ ATOM 253 O SER A 34 4.097 -16.810 -4.296 1.00 0.00 O
255
+ ATOM 254 OG SER A 34 6.397 -17.897 -1.339 1.00 0.00 O
256
+ ATOM 255 N SER A 35 3.729 -16.416 -2.252 1.00 0.00 N
257
+ ATOM 256 CA SER A 35 2.341 -16.862 -2.342 1.00 0.00 C
258
+ ATOM 257 C SER A 35 1.397 -15.685 -2.565 1.00 0.00 C
259
+ ATOM 258 CB SER A 35 1.938 -17.617 -1.075 1.00 0.00 C
260
+ ATOM 259 O SER A 35 0.430 -15.794 -3.323 1.00 0.00 O
261
+ ATOM 260 OG SER A 35 2.080 -16.793 0.070 1.00 0.00 O
262
+ ATOM 261 N ARG A 36 1.608 -14.548 -2.016 1.00 0.00 N
263
+ ATOM 262 CA ARG A 36 0.633 -13.463 -1.967 1.00 0.00 C
264
+ ATOM 263 C ARG A 36 1.113 -12.257 -2.767 1.00 0.00 C
265
+ ATOM 264 CB ARG A 36 0.356 -13.054 -0.518 1.00 0.00 C
266
+ ATOM 265 O ARG A 36 0.360 -11.304 -2.976 1.00 0.00 O
267
+ ATOM 266 CG ARG A 36 -0.337 -14.130 0.304 1.00 0.00 C
268
+ ATOM 267 CD ARG A 36 -0.670 -13.641 1.706 1.00 0.00 C
269
+ ATOM 268 NE ARG A 36 -1.288 -14.690 2.511 1.00 0.00 N
270
+ ATOM 269 NH1 ARG A 36 -1.383 -13.436 4.449 1.00 0.00 N
271
+ ATOM 270 NH2 ARG A 36 -2.170 -15.589 4.432 1.00 0.00 N
272
+ ATOM 271 CZ ARG A 36 -1.613 -14.570 3.795 1.00 0.00 C
273
+ ATOM 272 N GLY A 37 2.393 -12.314 -3.234 1.00 0.00 N
274
+ ATOM 273 CA GLY A 37 2.960 -11.148 -3.894 1.00 0.00 C
275
+ ATOM 274 C GLY A 37 3.541 -10.138 -2.923 1.00 0.00 C
276
+ ATOM 275 O GLY A 37 3.539 -10.360 -1.711 1.00 0.00 O
277
+ ATOM 276 N LYS A 38 4.034 -9.076 -3.477 1.00 0.00 N
278
+ ATOM 277 CA LYS A 38 4.699 -8.054 -2.676 1.00 0.00 C
279
+ ATOM 278 C LYS A 38 3.706 -7.335 -1.768 1.00 0.00 C
280
+ ATOM 279 CB LYS A 38 5.411 -7.044 -3.576 1.00 0.00 C
281
+ ATOM 280 O LYS A 38 2.526 -7.212 -2.103 1.00 0.00 O
282
+ ATOM 281 CG LYS A 38 6.606 -7.616 -4.324 1.00 0.00 C
283
+ ATOM 282 CD LYS A 38 7.314 -6.549 -5.149 1.00 0.00 C
284
+ ATOM 283 CE LYS A 38 8.505 -7.122 -5.904 1.00 0.00 C
285
+ ATOM 284 NZ LYS A 38 9.220 -6.072 -6.690 1.00 0.00 N
286
+ ATOM 285 N VAL A 39 4.079 -7.047 -0.611 1.00 0.00 N
287
+ ATOM 286 CA VAL A 39 3.356 -6.091 0.223 1.00 0.00 C
288
+ ATOM 287 C VAL A 39 3.347 -4.721 -0.451 1.00 0.00 C
289
+ ATOM 288 CB VAL A 39 3.976 -5.987 1.635 1.00 0.00 C
290
+ ATOM 289 O VAL A 39 4.360 -4.288 -1.005 1.00 0.00 O
291
+ ATOM 290 CG1 VAL A 39 3.201 -4.988 2.492 1.00 0.00 C
292
+ ATOM 291 CG2 VAL A 39 4.008 -7.360 2.305 1.00 0.00 C
293
+ ATOM 292 N VAL A 40 2.254 -4.112 -0.479 1.00 0.00 N
294
+ ATOM 293 CA VAL A 40 2.098 -2.808 -1.115 1.00 0.00 C
295
+ ATOM 294 C VAL A 40 1.576 -1.796 -0.098 1.00 0.00 C
296
+ ATOM 295 CB VAL A 40 1.150 -2.879 -2.332 1.00 0.00 C
297
+ ATOM 296 O VAL A 40 0.571 -2.044 0.575 1.00 0.00 O
298
+ ATOM 297 CG1 VAL A 40 1.011 -1.508 -2.990 1.00 0.00 C
299
+ ATOM 298 CG2 VAL A 40 1.653 -3.911 -3.340 1.00 0.00 C
300
+ ATOM 299 N GLU A 41 2.216 -0.746 0.070 1.00 0.00 N
301
+ ATOM 300 CA GLU A 41 1.796 0.397 0.876 1.00 0.00 C
302
+ ATOM 301 C GLU A 41 1.609 1.642 0.014 1.00 0.00 C
303
+ ATOM 302 CB GLU A 41 2.811 0.674 1.988 1.00 0.00 C
304
+ ATOM 303 O GLU A 41 2.517 2.034 -0.723 1.00 0.00 O
305
+ ATOM 304 CG GLU A 41 2.365 1.742 2.975 1.00 0.00 C
306
+ ATOM 305 CD GLU A 41 3.465 2.167 3.936 1.00 0.00 C
307
+ ATOM 306 OE1 GLU A 41 4.271 1.307 4.356 1.00 0.00 O
308
+ ATOM 307 OE2 GLU A 41 3.521 3.372 4.271 1.00 0.00 O
309
+ ATOM 308 N LEU A 42 0.401 2.232 0.111 1.00 0.00 N
310
+ ATOM 309 CA LEU A 42 0.027 3.419 -0.649 1.00 0.00 C
311
+ ATOM 310 C LEU A 42 -0.339 4.569 0.284 1.00 0.00 C
312
+ ATOM 311 CB LEU A 42 -1.148 3.111 -1.581 1.00 0.00 C
313
+ ATOM 312 O LEU A 42 -0.846 4.344 1.385 1.00 0.00 O
314
+ ATOM 313 CG LEU A 42 -0.971 1.918 -2.523 1.00 0.00 C
315
+ ATOM 314 CD1 LEU A 42 -2.288 1.592 -3.218 1.00 0.00 C
316
+ ATOM 315 CD2 LEU A 42 0.124 2.201 -3.546 1.00 0.00 C
317
+ ATOM 316 N GLY A 43 -0.088 5.799 -0.231 1.00 0.00 N
318
+ ATOM 317 CA GLY A 43 -0.532 6.918 0.585 1.00 0.00 C
319
+ ATOM 318 C GLY A 43 -0.048 8.260 0.073 1.00 0.00 C
320
+ ATOM 319 O GLY A 43 0.452 8.358 -1.050 1.00 0.00 O
321
+ ATOM 320 N CYS A 44 -0.309 9.261 0.881 1.00 0.00 N
322
+ ATOM 321 CA CYS A 44 0.125 10.636 0.663 1.00 0.00 C
323
+ ATOM 322 C CYS A 44 1.422 10.924 1.410 1.00 0.00 C
324
+ ATOM 323 CB CYS A 44 -0.959 11.617 1.109 1.00 0.00 C
325
+ ATOM 324 O CYS A 44 1.664 10.365 2.482 1.00 0.00 O
326
+ ATOM 325 SG CYS A 44 -2.524 11.421 0.228 1.00 0.00 S
327
+ ATOM 326 N ALA A 45 2.229 11.827 0.887 1.00 0.00 N
328
+ ATOM 327 CA ALA A 45 3.457 12.204 1.581 1.00 0.00 C
329
+ ATOM 328 C ALA A 45 3.884 13.621 1.209 1.00 0.00 C
330
+ ATOM 329 CB ALA A 45 4.575 11.215 1.263 1.00 0.00 C
331
+ ATOM 330 O ALA A 45 3.587 14.098 0.110 1.00 0.00 O
332
+ ATOM 331 N ALA A 46 4.578 14.296 2.146 1.00 0.00 N
333
+ ATOM 332 CA ALA A 46 5.190 15.595 1.879 1.00 0.00 C
334
+ ATOM 333 C ALA A 46 6.513 15.436 1.136 1.00 0.00 C
335
+ ATOM 334 CB ALA A 46 5.404 16.362 3.182 1.00 0.00 C
336
+ ATOM 335 O ALA A 46 6.841 16.240 0.260 1.00 0.00 O
337
+ ATOM 336 N THR A 47 7.244 14.444 1.429 1.00 0.00 N
338
+ ATOM 337 CA THR A 47 8.490 14.031 0.791 1.00 0.00 C
339
+ ATOM 338 C THR A 47 8.471 12.536 0.485 1.00 0.00 C
340
+ ATOM 339 CB THR A 47 9.707 14.362 1.675 1.00 0.00 C
341
+ ATOM 340 O THR A 47 7.872 11.753 1.226 1.00 0.00 O
342
+ ATOM 341 CG2 THR A 47 9.826 15.865 1.906 1.00 0.00 C
343
+ ATOM 342 OG1 THR A 47 9.563 13.706 2.940 1.00 0.00 O
344
+ ATOM 343 N CYS A 48 9.055 12.248 -0.618 1.00 0.00 N
345
+ ATOM 344 CA CYS A 48 9.097 10.841 -0.999 1.00 0.00 C
346
+ ATOM 345 C CYS A 48 9.757 10.002 0.088 1.00 0.00 C
347
+ ATOM 346 CB CYS A 48 9.849 10.667 -2.318 1.00 0.00 C
348
+ ATOM 347 O CYS A 48 10.856 10.321 0.544 1.00 0.00 O
349
+ ATOM 348 SG CYS A 48 9.536 9.084 -3.130 1.00 0.00 S
350
+ ATOM 349 N PRO A 49 9.097 8.947 0.617 1.00 0.00 N
351
+ ATOM 350 CA PRO A 49 9.669 8.131 1.692 1.00 0.00 C
352
+ ATOM 351 C PRO A 49 11.014 7.515 1.314 1.00 0.00 C
353
+ ATOM 352 CB PRO A 49 8.612 7.045 1.908 1.00 0.00 C
354
+ ATOM 353 O PRO A 49 11.259 7.234 0.138 1.00 0.00 O
355
+ ATOM 354 CG PRO A 49 7.351 7.622 1.352 1.00 0.00 C
356
+ ATOM 355 CD PRO A 49 7.707 8.561 0.235 1.00 0.00 C
357
+ ATOM 356 N SER A 50 11.935 7.376 2.310 1.00 0.00 N
358
+ ATOM 357 CA SER A 50 13.236 6.749 2.099 1.00 0.00 C
359
+ ATOM 358 C SER A 50 13.088 5.273 1.746 1.00 0.00 C
360
+ ATOM 359 CB SER A 50 14.112 6.900 3.343 1.00 0.00 C
361
+ ATOM 360 O SER A 50 12.176 4.602 2.233 1.00 0.00 O
362
+ ATOM 361 OG SER A 50 13.472 6.342 4.479 1.00 0.00 O
363
+ ATOM 362 N LYS A 51 13.852 4.911 0.917 1.00 0.00 N
364
+ ATOM 363 CA LYS A 51 13.869 3.551 0.387 1.00 0.00 C
365
+ ATOM 364 C LYS A 51 14.901 2.692 1.112 1.00 0.00 C
366
+ ATOM 365 CB LYS A 51 14.159 3.563 -1.115 1.00 0.00 C
367
+ ATOM 366 O LYS A 51 16.058 3.091 1.256 1.00 0.00 O
368
+ ATOM 367 CG LYS A 51 14.272 2.177 -1.734 1.00 0.00 C
369
+ ATOM 368 CD LYS A 51 14.687 2.252 -3.198 1.00 0.00 C
370
+ ATOM 369 CE LYS A 51 14.996 0.872 -3.763 1.00 0.00 C
371
+ ATOM 370 NZ LYS A 51 15.342 0.933 -5.215 1.00 0.00 N
372
+ ATOM 371 N LYS A 52 14.454 1.589 1.707 1.00 0.00 N
373
+ ATOM 372 CA LYS A 52 15.378 0.548 2.146 1.00 0.00 C
374
+ ATOM 373 C LYS A 52 15.812 -0.331 0.976 1.00 0.00 C
375
+ ATOM 374 CB LYS A 52 14.738 -0.312 3.237 1.00 0.00 C
376
+ ATOM 375 O LYS A 52 15.136 -0.382 -0.054 1.00 0.00 O
377
+ ATOM 376 CG LYS A 52 14.334 0.465 4.481 1.00 0.00 C
378
+ ATOM 377 CD LYS A 52 13.678 -0.439 5.516 1.00 0.00 C
379
+ ATOM 378 CE LYS A 52 13.195 0.353 6.725 1.00 0.00 C
380
+ ATOM 379 NZ LYS A 52 12.513 -0.523 7.725 1.00 0.00 N
381
+ ATOM 380 N PRO A 53 17.047 -1.010 1.070 1.00 0.00 N
382
+ ATOM 381 CA PRO A 53 17.538 -1.776 -0.079 1.00 0.00 C
383
+ ATOM 382 C PRO A 53 16.510 -2.774 -0.605 1.00 0.00 C
384
+ ATOM 383 CB PRO A 53 18.766 -2.500 0.480 1.00 0.00 C
385
+ ATOM 384 O PRO A 53 16.483 -3.065 -1.804 1.00 0.00 O
386
+ ATOM 385 CG PRO A 53 19.262 -1.618 1.580 1.00 0.00 C
387
+ ATOM 386 CD PRO A 53 18.085 -0.927 2.205 1.00 0.00 C
388
+ ATOM 387 N TYR A 54 15.655 -3.288 0.146 1.00 0.00 N
389
+ ATOM 388 CA TYR A 54 14.753 -4.336 -0.318 1.00 0.00 C
390
+ ATOM 389 C TYR A 54 13.394 -3.759 -0.695 1.00 0.00 C
391
+ ATOM 390 CB TYR A 54 14.583 -5.413 0.758 1.00 0.00 C
392
+ ATOM 391 O TYR A 54 12.441 -4.504 -0.934 1.00 0.00 O
393
+ ATOM 392 CG TYR A 54 14.257 -4.861 2.124 1.00 0.00 C
394
+ ATOM 393 CD1 TYR A 54 15.270 -4.526 3.021 1.00 0.00 C
395
+ ATOM 394 CD2 TYR A 54 12.937 -4.673 2.521 1.00 0.00 C
396
+ ATOM 395 CE1 TYR A 54 14.974 -4.018 4.282 1.00 0.00 C
397
+ ATOM 396 CE2 TYR A 54 12.631 -4.166 3.779 1.00 0.00 C
398
+ ATOM 397 OH TYR A 54 13.355 -3.339 5.898 1.00 0.00 O
399
+ ATOM 398 CZ TYR A 54 13.654 -3.842 4.651 1.00 0.00 C
400
+ ATOM 399 N GLU A 55 13.295 -2.454 -0.699 1.00 0.00 N
401
+ ATOM 400 CA GLU A 55 12.015 -1.812 -0.984 1.00 0.00 C
402
+ ATOM 401 C GLU A 55 12.049 -1.082 -2.323 1.00 0.00 C
403
+ ATOM 402 CB GLU A 55 11.641 -0.839 0.138 1.00 0.00 C
404
+ ATOM 403 O GLU A 55 13.098 -0.590 -2.741 1.00 0.00 O
405
+ ATOM 404 CG GLU A 55 11.421 -1.509 1.486 1.00 0.00 C
406
+ ATOM 405 CD GLU A 55 11.080 -0.527 2.595 1.00 0.00 C
407
+ ATOM 406 OE1 GLU A 55 11.332 0.688 2.429 1.00 0.00 O
408
+ ATOM 407 OE2 GLU A 55 10.557 -0.977 3.639 1.00 0.00 O
409
+ ATOM 408 N GLU A 56 11.021 -1.079 -3.002 1.00 0.00 N
410
+ ATOM 409 CA GLU A 56 10.758 -0.220 -4.153 1.00 0.00 C
411
+ ATOM 410 C GLU A 56 9.800 0.912 -3.788 1.00 0.00 C
412
+ ATOM 411 CB GLU A 56 10.188 -1.038 -5.314 1.00 0.00 C
413
+ ATOM 412 O GLU A 56 8.685 0.664 -3.325 1.00 0.00 O
414
+ ATOM 413 CG GLU A 56 11.132 -2.112 -5.832 1.00 0.00 C
415
+ ATOM 414 CD GLU A 56 10.510 -2.994 -6.903 1.00 0.00 C
416
+ ATOM 415 OE1 GLU A 56 9.353 -2.732 -7.307 1.00 0.00 O
417
+ ATOM 416 OE2 GLU A 56 11.182 -3.952 -7.342 1.00 0.00 O
418
+ ATOM 417 N VAL A 57 10.279 2.133 -4.047 1.00 0.00 N
419
+ ATOM 418 CA VAL A 57 9.465 3.296 -3.713 1.00 0.00 C
420
+ ATOM 419 C VAL A 57 9.308 4.187 -4.943 1.00 0.00 C
421
+ ATOM 420 CB VAL A 57 10.078 4.102 -2.546 1.00 0.00 C
422
+ ATOM 421 O VAL A 57 10.292 4.505 -5.617 1.00 0.00 O
423
+ ATOM 422 CG1 VAL A 57 9.225 5.329 -2.231 1.00 0.00 C
424
+ ATOM 423 CG2 VAL A 57 10.226 3.218 -1.309 1.00 0.00 C
425
+ ATOM 424 N THR A 58 8.107 4.524 -5.314 1.00 0.00 N
426
+ ATOM 425 CA THR A 58 7.795 5.452 -6.396 1.00 0.00 C
427
+ ATOM 426 C THR A 58 6.924 6.598 -5.891 1.00 0.00 C
428
+ ATOM 427 CB THR A 58 7.085 4.736 -7.560 1.00 0.00 C
429
+ ATOM 428 O THR A 58 5.995 6.381 -5.110 1.00 0.00 O
430
+ ATOM 429 CG2 THR A 58 6.899 5.672 -8.749 1.00 0.00 C
431
+ ATOM 430 OG1 THR A 58 7.869 3.609 -7.970 1.00 0.00 O
432
+ ATOM 431 N CYS A 59 7.263 7.787 -6.260 1.00 0.00 N
433
+ ATOM 432 CA CYS A 59 6.498 8.977 -5.902 1.00 0.00 C
434
+ ATOM 433 C CYS A 59 6.060 9.738 -7.148 1.00 0.00 C
435
+ ATOM 434 CB CYS A 59 7.324 9.892 -4.999 1.00 0.00 C
436
+ ATOM 435 O CYS A 59 6.753 9.722 -8.166 1.00 0.00 O
437
+ ATOM 436 SG CYS A 59 7.666 9.192 -3.370 1.00 0.00 S
438
+ ATOM 437 N CYS A 60 4.964 10.305 -7.103 1.00 0.00 N
439
+ ATOM 438 CA CYS A 60 4.384 11.080 -8.195 1.00 0.00 C
440
+ ATOM 439 C CYS A 60 3.483 12.187 -7.659 1.00 0.00 C
441
+ ATOM 440 CB CYS A 60 3.590 10.172 -9.133 1.00 0.00 C
442
+ ATOM 441 O CYS A 60 3.190 12.230 -6.463 1.00 0.00 O
443
+ ATOM 442 SG CYS A 60 2.369 9.143 -8.290 1.00 0.00 S
444
+ ATOM 443 N SER A 61 3.049 13.115 -8.562 1.00 0.00 N
445
+ ATOM 444 CA SER A 61 2.392 14.320 -8.066 1.00 0.00 C
446
+ ATOM 445 C SER A 61 1.073 14.568 -8.790 1.00 0.00 C
447
+ ATOM 446 CB SER A 61 3.307 15.534 -8.226 1.00 0.00 C
448
+ ATOM 447 O SER A 61 0.573 15.694 -8.813 1.00 0.00 O
449
+ ATOM 448 OG SER A 61 3.701 15.693 -9.578 1.00 0.00 O
450
+ ATOM 449 N THR A 62 0.503 13.593 -9.480 1.00 0.00 N
451
+ ATOM 450 CA THR A 62 -0.800 13.737 -10.122 1.00 0.00 C
452
+ ATOM 451 C THR A 62 -1.852 12.897 -9.405 1.00 0.00 C
453
+ ATOM 452 CB THR A 62 -0.739 13.332 -11.607 1.00 0.00 C
454
+ ATOM 453 O THR A 62 -1.518 11.933 -8.713 1.00 0.00 O
455
+ ATOM 454 CG2 THR A 62 0.308 14.148 -12.357 1.00 0.00 C
456
+ ATOM 455 OG1 THR A 62 -0.404 11.942 -11.703 1.00 0.00 O
457
+ ATOM 456 N ASP A 63 -3.009 13.181 -9.602 1.00 0.00 N
458
+ ATOM 457 CA ASP A 63 -4.101 12.474 -8.940 1.00 0.00 C
459
+ ATOM 458 C ASP A 63 -4.073 10.984 -9.274 1.00 0.00 C
460
+ ATOM 459 CB ASP A 63 -5.449 13.078 -9.337 1.00 0.00 C
461
+ ATOM 460 O ASP A 63 -3.941 10.607 -10.440 1.00 0.00 O
462
+ ATOM 461 CG ASP A 63 -5.701 14.435 -8.704 1.00 0.00 C
463
+ ATOM 462 OD1 ASP A 63 -4.934 14.841 -7.804 1.00 0.00 O
464
+ ATOM 463 OD2 ASP A 63 -6.679 15.103 -9.105 1.00 0.00 O
465
+ ATOM 464 N LYS A 64 -4.109 10.165 -8.147 1.00 0.00 N
466
+ ATOM 465 CA LYS A 64 -4.295 8.717 -8.180 1.00 0.00 C
467
+ ATOM 466 C LYS A 64 -3.172 8.035 -8.955 1.00 0.00 C
468
+ ATOM 467 CB LYS A 64 -5.649 8.364 -8.797 1.00 0.00 C
469
+ ATOM 468 O LYS A 64 -3.395 7.016 -9.613 1.00 0.00 O
470
+ ATOM 469 CG LYS A 64 -6.844 8.836 -7.982 1.00 0.00 C
471
+ ATOM 470 CD LYS A 64 -8.160 8.437 -8.638 1.00 0.00 C
472
+ ATOM 471 CE LYS A 64 -9.341 9.169 -8.014 1.00 0.00 C
473
+ ATOM 472 NZ LYS A 64 -10.624 8.837 -8.701 1.00 0.00 N
474
+ ATOM 473 N CYS A 65 -2.021 8.689 -8.980 1.00 0.00 N
475
+ ATOM 474 CA CYS A 65 -0.876 8.266 -9.779 1.00 0.00 C
476
+ ATOM 475 C CYS A 65 -0.139 7.112 -9.110 1.00 0.00 C
477
+ ATOM 476 CB CYS A 65 0.084 9.436 -10.000 1.00 0.00 C
478
+ ATOM 477 O CYS A 65 0.913 6.682 -9.585 1.00 0.00 O
479
+ ATOM 478 SG CYS A 65 0.653 10.209 -8.471 1.00 0.00 S
480
+ ATOM 479 N ASN A 66 -0.665 6.626 -7.912 1.00 0.00 N
481
+ ATOM 480 CA ASN A 66 -0.066 5.519 -7.174 1.00 0.00 C
482
+ ATOM 481 C ASN A 66 -1.019 4.331 -7.076 1.00 0.00 C
483
+ ATOM 482 CB ASN A 66 0.362 5.974 -5.777 1.00 0.00 C
484
+ ATOM 483 O ASN A 66 -1.349 3.883 -5.976 1.00 0.00 O
485
+ ATOM 484 CG ASN A 66 -0.792 6.531 -4.967 1.00 0.00 C
486
+ ATOM 485 ND2 ASN A 66 -0.734 6.350 -3.653 1.00 0.00 N
487
+ ATOM 486 OD1 ASN A 66 -1.727 7.119 -5.516 1.00 0.00 O
488
+ ATOM 487 N PRO A 67 -1.363 3.745 -8.265 1.00 0.00 N
489
+ ATOM 488 CA PRO A 67 -2.299 2.620 -8.225 1.00 0.00 C
490
+ ATOM 489 C PRO A 67 -1.669 1.347 -7.666 1.00 0.00 C
491
+ ATOM 490 CB PRO A 67 -2.693 2.436 -9.693 1.00 0.00 C
492
+ ATOM 491 O PRO A 67 -0.453 1.162 -7.764 1.00 0.00 O
493
+ ATOM 492 CG PRO A 67 -1.485 2.855 -10.468 1.00 0.00 C
494
+ ATOM 493 CD PRO A 67 -0.820 3.986 -9.738 1.00 0.00 C
495
+ ATOM 494 N HIS A 68 -2.460 0.598 -6.903 1.00 0.00 N
496
+ ATOM 495 CA HIS A 68 -2.027 -0.756 -6.574 1.00 0.00 C
497
+ ATOM 496 C HIS A 68 -1.728 -1.561 -7.834 1.00 0.00 C
498
+ ATOM 497 CB HIS A 68 -3.091 -1.469 -5.735 1.00 0.00 C
499
+ ATOM 498 O HIS A 68 -2.484 -1.503 -8.806 1.00 0.00 O
500
+ ATOM 499 CG HIS A 68 -2.600 -2.721 -5.082 1.00 0.00 C
501
+ ATOM 500 CD2 HIS A 68 -2.285 -2.986 -3.792 1.00 0.00 C
502
+ ATOM 501 ND1 HIS A 68 -2.378 -3.888 -5.781 1.00 0.00 N
503
+ ATOM 502 CE1 HIS A 68 -1.949 -4.819 -4.947 1.00 0.00 C
504
+ ATOM 503 NE2 HIS A 68 -1.883 -4.298 -3.734 1.00 0.00 N
505
+ ATOM 504 N PRO A 69 -0.613 -2.330 -7.897 1.00 0.00 N
506
+ ATOM 505 CA PRO A 69 -0.297 -3.072 -9.119 1.00 0.00 C
507
+ ATOM 506 C PRO A 69 -1.417 -4.019 -9.541 1.00 0.00 C
508
+ ATOM 507 CB PRO A 69 0.964 -3.852 -8.741 1.00 0.00 C
509
+ ATOM 508 O PRO A 69 -1.577 -4.300 -10.732 1.00 0.00 O
510
+ ATOM 509 CG PRO A 69 1.526 -3.122 -7.564 1.00 0.00 C
511
+ ATOM 510 CD PRO A 69 0.406 -2.409 -6.865 1.00 0.00 C
512
+ ATOM 511 N LYS A 70 -2.203 -4.608 -8.642 1.00 0.00 N
513
+ ATOM 512 CA LYS A 70 -3.278 -5.527 -9.003 1.00 0.00 C
514
+ ATOM 513 C LYS A 70 -4.570 -4.773 -9.303 1.00 0.00 C
515
+ ATOM 514 CB LYS A 70 -3.513 -6.545 -7.886 1.00 0.00 C
516
+ ATOM 515 O LYS A 70 -5.556 -5.367 -9.745 1.00 0.00 O
517
+ ATOM 516 CG LYS A 70 -2.375 -7.537 -7.703 1.00 0.00 C
518
+ ATOM 517 CD LYS A 70 -2.722 -8.603 -6.671 1.00 0.00 C
519
+ ATOM 518 CE LYS A 70 -1.603 -9.626 -6.525 1.00 0.00 C
520
+ ATOM 519 NZ LYS A 70 -1.905 -10.627 -5.458 1.00 0.00 N
521
+ ATOM 520 N GLN A 71 -4.613 -3.554 -9.002 1.00 0.00 N
522
+ ATOM 521 CA GLN A 71 -5.804 -2.758 -9.282 1.00 0.00 C
523
+ ATOM 522 C GLN A 71 -5.731 -2.132 -10.672 1.00 0.00 C
524
+ ATOM 523 CB GLN A 71 -5.981 -1.667 -8.224 1.00 0.00 C
525
+ ATOM 524 O GLN A 71 -4.689 -1.606 -11.068 1.00 0.00 O
526
+ ATOM 525 CG GLN A 71 -6.850 -2.090 -7.047 1.00 0.00 C
527
+ ATOM 526 CD GLN A 71 -7.068 -0.970 -6.046 1.00 0.00 C
528
+ ATOM 527 NE2 GLN A 71 -8.085 -1.117 -5.205 1.00 0.00 N
529
+ ATOM 528 OE1 GLN A 71 -6.327 0.018 -6.030 1.00 0.00 O
530
+ ATOM 529 N ARG A 72 -6.414 -2.753 -11.748 1.00 0.00 N
531
+ ATOM 530 CA ARG A 72 -6.638 -2.412 -13.150 1.00 0.00 C
532
+ ATOM 531 C ARG A 72 -7.281 -1.036 -13.282 1.00 0.00 C
533
+ ATOM 532 CB ARG A 72 -7.514 -3.468 -13.826 1.00 0.00 C
534
+ ATOM 533 O ARG A 72 -8.137 -0.664 -12.477 1.00 0.00 O
535
+ ATOM 534 CG ARG A 72 -6.838 -4.819 -13.987 1.00 0.00 C
536
+ ATOM 535 CD ARG A 72 -7.644 -5.751 -14.881 1.00 0.00 C
537
+ ATOM 536 NE ARG A 72 -7.048 -7.082 -14.949 1.00 0.00 N
538
+ ATOM 537 NH1 ARG A 72 -8.510 -7.881 -16.551 1.00 0.00 N
539
+ ATOM 538 NH2 ARG A 72 -6.857 -9.236 -15.723 1.00 0.00 N
540
+ ATOM 539 CZ ARG A 72 -7.473 -8.064 -15.741 1.00 0.00 C
541
+ ATOM 540 N PRO A 73 -6.667 0.079 -13.887 1.00 0.00 N
542
+ ATOM 541 CA PRO A 73 -7.498 1.244 -14.198 1.00 0.00 C
543
+ ATOM 542 C PRO A 73 -8.970 0.886 -14.386 1.00 0.00 C
544
+ ATOM 543 CB PRO A 73 -6.893 1.770 -15.501 1.00 0.00 C
545
+ ATOM 544 O PRO A 73 -9.287 -0.153 -14.972 1.00 0.00 O
546
+ ATOM 545 CG PRO A 73 -5.742 0.860 -15.783 1.00 0.00 C
547
+ ATOM 546 CD PRO A 73 -5.774 -0.270 -14.795 1.00 0.00 C
548
+ ATOM 547 N GLY A 74 -9.852 0.943 -13.258 1.00 0.00 N
549
+ ATOM 548 CA GLY A 74 -11.232 1.015 -13.710 1.00 0.00 C
550
+ ATOM 549 C GLY A 74 -11.476 2.134 -14.704 1.00 0.00 C
551
+ ATOM 550 O GLY A 74 -10.679 3.069 -14.803 1.00 0.00 O
552
+ ATOM 551 OXT GLY A 74 -12.493 1.547 -15.000 1.00 0.00 O
553
+ TER 552 GLY A 74
554
+ CONECT 21 158
555
+ CONECT 109 325
556
+ CONECT 158 21
557
+ CONECT 218 248
558
+ CONECT 248 218
559
+ CONECT 325 109
560
+ CONECT 348 436
561
+ CONECT 436 348
562
+ CONECT 442 478
563
+ CONECT 478 442
564
+ END
1idg/1idg_protein_processed_fix.pdb ADDED
@@ -0,0 +1,1098 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ REMARK 1 CREATED WITH OPENMM 8.0, 2023-02-20
2
+ ATOM 1 N ILE A 1 -3.234 17.757 -7.198 1.00 0.00 N
3
+ ATOM 2 CA ILE A 1 -2.532 16.448 -7.248 1.00 0.00 C
4
+ ATOM 3 C ILE A 1 -3.126 15.604 -6.085 1.00 0.00 C
5
+ ATOM 4 O ILE A 1 -2.901 15.909 -4.907 1.00 0.00 O
6
+ ATOM 5 CB ILE A 1 -0.971 16.619 -7.243 1.00 0.00 C
7
+ ATOM 6 CG1 ILE A 1 -0.396 17.482 -8.414 1.00 0.00 C
8
+ ATOM 7 CG2 ILE A 1 -0.216 15.266 -7.155 1.00 0.00 C
9
+ ATOM 8 CD1 ILE A 1 -0.860 17.135 -9.840 1.00 0.00 C
10
+ ATOM 9 H ILE A 1 -3.615 17.920 -7.986 1.00 0.00 H
11
+ ATOM 10 H2 ILE A 1 -3.860 17.735 -6.565 1.00 0.00 H
12
+ ATOM 11 H3 ILE A 1 -2.649 18.401 -7.013 1.00 0.00 H
13
+ ATOM 12 HA ILE A 1 -2.680 15.974 -8.081 1.00 0.00 H
14
+ ATOM 13 HB ILE A 1 -0.807 17.121 -6.429 1.00 0.00 H
15
+ ATOM 14 HG12 ILE A 1 -0.622 18.410 -8.242 1.00 0.00 H
16
+ ATOM 15 HG13 ILE A 1 0.571 17.416 -8.389 1.00 0.00 H
17
+ ATOM 16 HG21 ILE A 1 0.740 15.428 -7.155 1.00 0.00 H
18
+ ATOM 17 HG22 ILE A 1 -0.466 14.809 -6.337 1.00 0.00 H
19
+ ATOM 18 HG23 ILE A 1 -0.450 14.714 -7.918 1.00 0.00 H
20
+ ATOM 19 HD11 ILE A 1 -0.437 17.736 -10.473 1.00 0.00 H
21
+ ATOM 20 HD12 ILE A 1 -0.612 16.221 -10.048 1.00 0.00 H
22
+ ATOM 21 HD13 ILE A 1 -1.824 17.230 -9.899 1.00 0.00 H
23
+ ATOM 22 N VAL A 2 -3.928 14.579 -6.434 1.00 0.00 N
24
+ ATOM 23 CA VAL A 2 -4.924 13.989 -5.496 1.00 0.00 C
25
+ ATOM 24 C VAL A 2 -4.833 12.436 -5.562 1.00 0.00 C
26
+ ATOM 25 O VAL A 2 -5.257 11.800 -6.532 1.00 0.00 O
27
+ ATOM 26 CB VAL A 2 -6.348 14.604 -5.772 1.00 0.00 C
28
+ ATOM 27 CG1 VAL A 2 -7.551 13.743 -5.314 1.00 0.00 C
29
+ ATOM 28 CG2 VAL A 2 -6.453 16.011 -5.135 1.00 0.00 C
30
+ ATOM 29 H VAL A 2 -3.914 14.207 -7.209 1.00 0.00 H
31
+ ATOM 30 HA VAL A 2 -4.731 14.219 -4.574 1.00 0.00 H
32
+ ATOM 31 HB VAL A 2 -6.413 14.645 -6.739 1.00 0.00 H
33
+ ATOM 32 HG11 VAL A 2 -8.378 14.203 -5.526 1.00 0.00 H
34
+ ATOM 33 HG12 VAL A 2 -7.531 12.888 -5.772 1.00 0.00 H
35
+ ATOM 34 HG13 VAL A 2 -7.499 13.597 -4.356 1.00 0.00 H
36
+ ATOM 35 HG21 VAL A 2 -7.332 16.381 -5.310 1.00 0.00 H
37
+ ATOM 36 HG22 VAL A 2 -6.316 15.944 -4.177 1.00 0.00 H
38
+ ATOM 37 HG23 VAL A 2 -5.777 16.591 -5.518 1.00 0.00 H
39
+ ATOM 38 N CYS A 3 -4.367 11.866 -4.439 1.00 0.00 N
40
+ ATOM 39 CA CYS A 3 -4.440 10.417 -4.125 1.00 0.00 C
41
+ ATOM 40 C CYS A 3 -5.897 9.947 -3.818 1.00 0.00 C
42
+ ATOM 41 O CYS A 3 -6.722 10.747 -3.367 1.00 0.00 O
43
+ ATOM 42 CB CYS A 3 -3.501 10.207 -2.900 1.00 0.00 C
44
+ ATOM 43 SG CYS A 3 -2.587 8.662 -3.002 1.00 0.00 S
45
+ ATOM 44 H CYS A 3 -3.987 12.323 -3.817 1.00 0.00 H
46
+ ATOM 45 HA CYS A 3 -4.163 9.884 -4.886 1.00 0.00 H
47
+ ATOM 46 HB2 CYS A 3 -2.877 10.947 -2.842 1.00 0.00 H
48
+ ATOM 47 HB3 CYS A 3 -4.028 10.216 -2.085 1.00 0.00 H
49
+ ATOM 48 N HIS A 4 -6.208 8.645 -4.002 1.00 0.00 N
50
+ ATOM 49 CA HIS A 4 -7.453 8.035 -3.428 1.00 0.00 C
51
+ ATOM 50 C HIS A 4 -7.278 7.800 -1.880 1.00 0.00 C
52
+ ATOM 51 O HIS A 4 -6.233 8.130 -1.301 1.00 0.00 O
53
+ ATOM 52 CB HIS A 4 -7.842 6.697 -4.139 1.00 0.00 C
54
+ ATOM 53 CG HIS A 4 -7.923 6.551 -5.664 1.00 0.00 C
55
+ ATOM 54 ND1 HIS A 4 -7.881 5.300 -6.270 1.00 0.00 N
56
+ ATOM 55 CD2 HIS A 4 -8.070 7.549 -6.651 1.00 0.00 C
57
+ ATOM 56 CE1 HIS A 4 -7.965 5.657 -7.587 1.00 0.00 C
58
+ ATOM 57 NE2 HIS A 4 -8.097 6.977 -7.916 1.00 0.00 N
59
+ ATOM 58 H HIS A 4 -5.721 8.096 -4.451 1.00 0.00 H
60
+ ATOM 59 HA HIS A 4 -8.178 8.661 -3.580 1.00 0.00 H
61
+ ATOM 60 HB2 HIS A 4 -7.209 6.029 -3.832 1.00 0.00 H
62
+ ATOM 61 HB3 HIS A 4 -8.712 6.444 -3.792 1.00 0.00 H
63
+ ATOM 62 HD1 HIS A 4 -7.819 4.519 -5.915 1.00 0.00 H
64
+ ATOM 63 HD2 HIS A 4 -8.139 8.460 -6.479 1.00 0.00 H
65
+ ATOM 64 HE1 HIS A 4 -7.933 5.008 -8.252 1.00 0.00 H
66
+ ATOM 65 HE2 HIS A 4 -8.175 7.348 -8.688 1.00 0.00 H
67
+ ATOM 66 N THR A 5 -8.259 7.168 -1.191 1.00 0.00 N
68
+ ATOM 67 CA THR A 5 -7.971 6.478 0.101 1.00 0.00 C
69
+ ATOM 68 C THR A 5 -7.415 5.050 -0.194 1.00 0.00 C
70
+ ATOM 69 O THR A 5 -8.137 4.049 -0.225 1.00 0.00 O
71
+ ATOM 70 CB THR A 5 -9.135 6.412 1.128 1.00 0.00 C
72
+ ATOM 71 OG1 THR A 5 -10.293 5.846 0.534 1.00 0.00 O
73
+ ATOM 72 CG2 THR A 5 -9.504 7.731 1.823 1.00 0.00 C
74
+ ATOM 73 H THR A 5 -9.079 7.126 -1.445 1.00 0.00 H
75
+ ATOM 74 HA THR A 5 -7.312 7.035 0.544 1.00 0.00 H
76
+ ATOM 75 HB THR A 5 -8.789 5.845 1.835 1.00 0.00 H
77
+ ATOM 76 HG1 THR A 5 -10.904 5.790 1.108 1.00 0.00 H
78
+ ATOM 77 HG21 THR A 5 -10.237 7.578 2.439 1.00 0.00 H
79
+ ATOM 78 HG22 THR A 5 -8.736 8.065 2.312 1.00 0.00 H
80
+ ATOM 79 HG23 THR A 5 -9.772 8.384 1.157 1.00 0.00 H
81
+ ATOM 80 N THR A 6 -6.088 4.981 -0.330 1.00 0.00 N
82
+ ATOM 81 CA THR A 6 -5.252 4.122 0.538 1.00 0.00 C
83
+ ATOM 82 C THR A 6 -5.414 2.585 0.353 1.00 0.00 C
84
+ ATOM 83 O THR A 6 -4.725 1.995 -0.484 1.00 0.00 O
85
+ ATOM 84 CB THR A 6 -5.066 4.674 1.997 1.00 0.00 C
86
+ ATOM 85 OG1 THR A 6 -4.679 6.047 1.951 1.00 0.00 O
87
+ ATOM 86 CG2 THR A 6 -6.251 4.548 2.989 1.00 0.00 C
88
+ ATOM 87 H THR A 6 -5.645 5.423 -0.920 1.00 0.00 H
89
+ ATOM 88 HA THR A 6 -4.357 4.212 0.175 1.00 0.00 H
90
+ ATOM 89 HB THR A 6 -4.384 4.084 2.355 1.00 0.00 H
91
+ ATOM 90 HG1 THR A 6 -4.702 6.371 2.726 1.00 0.00 H
92
+ ATOM 91 HG21 THR A 6 -5.998 4.927 3.845 1.00 0.00 H
93
+ ATOM 92 HG22 THR A 6 -7.019 5.026 2.639 1.00 0.00 H
94
+ ATOM 93 HG23 THR A 6 -6.478 3.612 3.105 1.00 0.00 H
95
+ ATOM 94 N ALA A 7 -6.257 1.950 1.180 1.00 0.00 N
96
+ ATOM 95 CA ALA A 7 -5.949 0.624 1.761 1.00 0.00 C
97
+ ATOM 96 C ALA A 7 -7.254 -0.070 2.187 1.00 0.00 C
98
+ ATOM 97 O ALA A 7 -8.081 0.514 2.895 1.00 0.00 O
99
+ ATOM 98 CB ALA A 7 -5.004 0.765 2.970 1.00 0.00 C
100
+ ATOM 99 H ALA A 7 -7.018 2.270 1.420 1.00 0.00 H
101
+ ATOM 100 HA ALA A 7 -5.504 0.085 1.089 1.00 0.00 H
102
+ ATOM 101 HB1 ALA A 7 -4.814 -0.113 3.337 1.00 0.00 H
103
+ ATOM 102 HB2 ALA A 7 -4.176 1.183 2.687 1.00 0.00 H
104
+ ATOM 103 HB3 ALA A 7 -5.427 1.314 3.649 1.00 0.00 H
105
+ ATOM 104 N THR A 8 -7.443 -1.295 1.664 1.00 0.00 N
106
+ ATOM 105 CA THR A 8 -8.788 -1.879 1.382 1.00 0.00 C
107
+ ATOM 106 C THR A 8 -9.503 -1.225 0.155 1.00 0.00 C
108
+ ATOM 107 O THR A 8 -10.040 -1.958 -0.676 1.00 0.00 O
109
+ ATOM 108 CB THR A 8 -9.759 -2.143 2.580 1.00 0.00 C
110
+ ATOM 109 OG1 THR A 8 -10.264 -0.936 3.135 1.00 0.00 O
111
+ ATOM 110 CG2 THR A 8 -9.171 -2.974 3.733 1.00 0.00 C
112
+ ATOM 111 H THR A 8 -6.793 -1.820 1.459 1.00 0.00 H
113
+ ATOM 112 HA THR A 8 -8.537 -2.785 1.142 1.00 0.00 H
114
+ ATOM 113 HB THR A 8 -10.467 -2.665 2.171 1.00 0.00 H
115
+ ATOM 114 HG1 THR A 8 -9.638 -0.382 3.218 1.00 0.00 H
116
+ ATOM 115 HG21 THR A 8 -9.841 -3.086 4.426 1.00 0.00 H
117
+ ATOM 116 HG22 THR A 8 -8.902 -3.845 3.400 1.00 0.00 H
118
+ ATOM 117 HG23 THR A 8 -8.399 -2.516 4.101 1.00 0.00 H
119
+ ATOM 118 N SER A 9 -9.546 0.121 0.059 1.00 0.00 N
120
+ ATOM 119 CA SER A 9 -10.747 0.841 -0.413 1.00 0.00 C
121
+ ATOM 120 C SER A 9 -10.617 1.530 -1.808 1.00 0.00 C
122
+ ATOM 121 O SER A 9 -9.522 1.978 -2.170 1.00 0.00 O
123
+ ATOM 122 CB SER A 9 -11.080 1.968 0.604 1.00 0.00 C
124
+ ATOM 123 OG SER A 9 -11.130 1.522 1.952 1.00 0.00 O
125
+ ATOM 124 H SER A 9 -8.887 0.634 0.264 1.00 0.00 H
126
+ ATOM 125 HA SER A 9 -11.432 0.159 -0.494 1.00 0.00 H
127
+ ATOM 126 HB2 SER A 9 -10.414 2.669 0.528 1.00 0.00 H
128
+ ATOM 127 HB3 SER A 9 -11.935 2.362 0.370 1.00 0.00 H
129
+ ATOM 128 HG SER A 9 -10.357 1.318 2.209 1.00 0.00 H
130
+ ATOM 129 N PRO A 10 -11.742 1.770 -2.541 1.00 0.00 N
131
+ ATOM 130 CA PRO A 10 -11.839 2.847 -3.559 1.00 0.00 C
132
+ ATOM 131 C PRO A 10 -11.956 4.322 -3.021 1.00 0.00 C
133
+ ATOM 132 O PRO A 10 -11.309 5.186 -3.616 1.00 0.00 O
134
+ ATOM 133 CB PRO A 10 -13.074 2.400 -4.369 1.00 0.00 C
135
+ ATOM 134 CG PRO A 10 -13.965 1.650 -3.379 1.00 0.00 C
136
+ ATOM 135 CD PRO A 10 -12.990 0.986 -2.412 1.00 0.00 C
137
+ ATOM 136 HA PRO A 10 -11.018 2.926 -4.069 1.00 0.00 H
138
+ ATOM 137 HB2 PRO A 10 -13.538 3.163 -4.747 1.00 0.00 H
139
+ ATOM 138 HB3 PRO A 10 -12.817 1.829 -5.110 1.00 0.00 H
140
+ ATOM 139 HG2 PRO A 10 -14.565 2.255 -2.915 1.00 0.00 H
141
+ ATOM 140 HG3 PRO A 10 -14.518 0.993 -3.830 1.00 0.00 H
142
+ ATOM 141 HD2 PRO A 10 -13.327 1.006 -1.503 1.00 0.00 H
143
+ ATOM 142 HD3 PRO A 10 -12.846 0.054 -2.641 1.00 0.00 H
144
+ ATOM 143 N ILE A 11 -12.774 4.612 -1.980 1.00 0.00 N
145
+ ATOM 144 CA ILE A 11 -13.291 5.984 -1.676 1.00 0.00 C
146
+ ATOM 145 C ILE A 11 -13.182 6.361 -0.159 1.00 0.00 C
147
+ ATOM 146 O ILE A 11 -13.316 5.495 0.715 1.00 0.00 O
148
+ ATOM 147 CB ILE A 11 -14.779 6.176 -2.142 1.00 0.00 C
149
+ ATOM 148 CG1 ILE A 11 -14.910 6.281 -3.691 1.00 0.00 C
150
+ ATOM 149 CG2 ILE A 11 -15.781 5.164 -1.505 1.00 0.00 C
151
+ ATOM 150 CD1 ILE A 11 -16.334 6.499 -4.225 1.00 0.00 C
152
+ ATOM 151 H ILE A 11 -13.048 4.015 -1.425 1.00 0.00 H
153
+ ATOM 152 HA ILE A 11 -12.717 6.581 -2.181 1.00 0.00 H
154
+ ATOM 153 HB ILE A 11 -15.049 7.038 -1.788 1.00 0.00 H
155
+ ATOM 154 HG12 ILE A 11 -14.352 7.013 -3.998 1.00 0.00 H
156
+ ATOM 155 HG13 ILE A 11 -14.555 5.469 -4.085 1.00 0.00 H
157
+ ATOM 156 HG21 ILE A 11 -16.675 5.341 -1.837 1.00 0.00 H
158
+ ATOM 157 HG22 ILE A 11 -15.522 4.260 -1.742 1.00 0.00 H
159
+ ATOM 158 HG23 ILE A 11 -15.769 5.261 -0.540 1.00 0.00 H
160
+ ATOM 159 HD11 ILE A 11 -16.312 6.551 -5.193 1.00 0.00 H
161
+ ATOM 160 HD12 ILE A 11 -16.898 5.758 -3.954 1.00 0.00 H
162
+ ATOM 161 HD13 ILE A 11 -16.692 7.326 -3.865 1.00 0.00 H
163
+ ATOM 162 N SER A 12 -13.041 7.677 0.132 1.00 0.00 N
164
+ ATOM 163 CA SER A 12 -13.527 8.283 1.403 1.00 0.00 C
165
+ ATOM 164 C SER A 12 -13.543 9.836 1.242 1.00 0.00 C
166
+ ATOM 165 O SER A 12 -14.458 10.349 0.589 1.00 0.00 O
167
+ ATOM 166 CB SER A 12 -12.908 7.696 2.716 1.00 0.00 C
168
+ ATOM 167 OG SER A 12 -13.910 7.081 3.522 1.00 0.00 O
169
+ ATOM 168 H SER A 12 -12.664 8.239 -0.398 1.00 0.00 H
170
+ ATOM 169 HA SER A 12 -14.445 8.008 1.555 1.00 0.00 H
171
+ ATOM 170 HB2 SER A 12 -12.224 7.046 2.493 1.00 0.00 H
172
+ ATOM 171 HB3 SER A 12 -12.474 8.404 3.218 1.00 0.00 H
173
+ ATOM 172 HG SER A 12 -14.282 6.467 3.086 1.00 0.00 H
174
+ ATOM 173 N ALA A 13 -12.576 10.585 1.814 1.00 0.00 N
175
+ ATOM 174 CA ALA A 13 -12.433 12.050 1.600 1.00 0.00 C
176
+ ATOM 175 C ALA A 13 -10.920 12.378 1.690 1.00 0.00 C
177
+ ATOM 176 O ALA A 13 -10.279 12.169 2.729 1.00 0.00 O
178
+ ATOM 177 CB ALA A 13 -13.272 12.862 2.606 1.00 0.00 C
179
+ ATOM 178 H ALA A 13 -11.981 10.256 2.340 1.00 0.00 H
180
+ ATOM 179 HA ALA A 13 -12.775 12.302 0.728 1.00 0.00 H
181
+ ATOM 180 HB1 ALA A 13 -13.154 13.810 2.436 1.00 0.00 H
182
+ ATOM 181 HB2 ALA A 13 -14.209 12.631 2.507 1.00 0.00 H
183
+ ATOM 182 HB3 ALA A 13 -12.982 12.657 3.509 1.00 0.00 H
184
+ ATOM 183 N VAL A 14 -10.336 12.810 0.560 1.00 0.00 N
185
+ ATOM 184 CA VAL A 14 -8.941 12.421 0.197 1.00 0.00 C
186
+ ATOM 185 C VAL A 14 -7.959 13.640 0.277 1.00 0.00 C
187
+ ATOM 186 O VAL A 14 -8.041 14.422 1.229 1.00 0.00 O
188
+ ATOM 187 CB VAL A 14 -8.990 11.561 -1.124 1.00 0.00 C
189
+ ATOM 188 CG1 VAL A 14 -9.730 10.219 -0.945 1.00 0.00 C
190
+ ATOM 189 CG2 VAL A 14 -9.529 12.262 -2.393 1.00 0.00 C
191
+ ATOM 190 H VAL A 14 -10.720 13.325 -0.011 1.00 0.00 H
192
+ ATOM 191 HA VAL A 14 -8.534 11.829 0.849 1.00 0.00 H
193
+ ATOM 192 HB VAL A 14 -8.045 11.408 -1.282 1.00 0.00 H
194
+ ATOM 193 HG11 VAL A 14 -9.729 9.734 -1.785 1.00 0.00 H
195
+ ATOM 194 HG12 VAL A 14 -9.282 9.690 -0.267 1.00 0.00 H
196
+ ATOM 195 HG13 VAL A 14 -10.645 10.388 -0.670 1.00 0.00 H
197
+ ATOM 196 HG21 VAL A 14 -9.513 11.641 -3.138 1.00 0.00 H
198
+ ATOM 197 HG22 VAL A 14 -10.440 12.556 -2.238 1.00 0.00 H
199
+ ATOM 198 HG23 VAL A 14 -8.973 13.029 -2.600 1.00 0.00 H
200
+ ATOM 199 N THR A 15 -6.997 13.761 -0.667 1.00 0.00 N
201
+ ATOM 200 CA THR A 15 -5.968 14.847 -0.733 1.00 0.00 C
202
+ ATOM 201 C THR A 15 -4.770 14.597 0.247 1.00 0.00 C
203
+ ATOM 202 O THR A 15 -4.991 14.425 1.450 1.00 0.00 O
204
+ ATOM 203 CB THR A 15 -6.457 16.339 -0.696 1.00 0.00 C
205
+ ATOM 204 OG1 THR A 15 -6.669 16.794 0.634 1.00 0.00 O
206
+ ATOM 205 CG2 THR A 15 -7.734 16.678 -1.487 1.00 0.00 C
207
+ ATOM 206 H THR A 15 -6.919 13.196 -1.310 1.00 0.00 H
208
+ ATOM 207 HA THR A 15 -5.658 14.761 -1.648 1.00 0.00 H
209
+ ATOM 208 HB THR A 15 -5.720 16.792 -1.136 1.00 0.00 H
210
+ ATOM 209 HG1 THR A 15 -6.303 16.264 1.173 1.00 0.00 H
211
+ ATOM 210 HG21 THR A 15 -7.935 17.622 -1.389 1.00 0.00 H
212
+ ATOM 211 HG22 THR A 15 -7.598 16.473 -2.425 1.00 0.00 H
213
+ ATOM 212 HG23 THR A 15 -8.475 16.153 -1.146 1.00 0.00 H
214
+ ATOM 213 N CYS A 16 -3.514 14.661 -0.258 1.00 0.00 N
215
+ ATOM 214 CA CYS A 16 -2.307 14.896 0.595 1.00 0.00 C
216
+ ATOM 215 C CYS A 16 -1.980 16.436 0.527 1.00 0.00 C
217
+ ATOM 216 O CYS A 16 -1.375 16.841 -0.474 1.00 0.00 O
218
+ ATOM 217 CB CYS A 16 -1.117 14.011 0.162 1.00 0.00 C
219
+ ATOM 218 SG CYS A 16 0.311 14.455 1.187 1.00 0.00 S
220
+ ATOM 219 H CYS A 16 -3.336 14.571 -1.095 1.00 0.00 H
221
+ ATOM 220 HA CYS A 16 -2.483 14.641 1.514 1.00 0.00 H
222
+ ATOM 221 HB2 CYS A 16 -1.335 13.072 0.272 1.00 0.00 H
223
+ ATOM 222 HB3 CYS A 16 -0.916 14.148 -0.777 1.00 0.00 H
224
+ ATOM 223 N PRO A 17 -2.399 17.353 1.463 1.00 0.00 N
225
+ ATOM 224 CA PRO A 17 -2.739 18.751 1.069 1.00 0.00 C
226
+ ATOM 225 C PRO A 17 -1.755 19.963 1.272 1.00 0.00 C
227
+ ATOM 226 O PRO A 17 -1.491 20.591 0.240 1.00 0.00 O
228
+ ATOM 227 CB PRO A 17 -4.116 18.986 1.717 1.00 0.00 C
229
+ ATOM 228 CG PRO A 17 -4.282 17.952 2.834 1.00 0.00 C
230
+ ATOM 229 CD PRO A 17 -3.108 16.980 2.710 1.00 0.00 C
231
+ ATOM 230 HA PRO A 17 -2.690 18.768 0.100 1.00 0.00 H
232
+ ATOM 231 HB2 PRO A 17 -4.176 19.886 2.074 1.00 0.00 H
233
+ ATOM 232 HB3 PRO A 17 -4.823 18.894 1.059 1.00 0.00 H
234
+ ATOM 233 HG2 PRO A 17 -4.283 18.382 3.704 1.00 0.00 H
235
+ ATOM 234 HG3 PRO A 17 -5.127 17.484 2.748 1.00 0.00 H
236
+ ATOM 235 HD2 PRO A 17 -2.519 17.047 3.478 1.00 0.00 H
237
+ ATOM 236 HD3 PRO A 17 -3.420 16.062 2.671 1.00 0.00 H
238
+ ATOM 237 N PRO A 18 -1.273 20.440 2.471 1.00 0.00 N
239
+ ATOM 238 CA PRO A 18 -0.824 21.855 2.672 1.00 0.00 C
240
+ ATOM 239 C PRO A 18 0.487 22.213 1.905 1.00 0.00 C
241
+ ATOM 240 O PRO A 18 0.419 22.841 0.842 1.00 0.00 O
242
+ ATOM 241 CB PRO A 18 -0.762 21.975 4.213 1.00 0.00 C
243
+ ATOM 242 CG PRO A 18 -0.459 20.553 4.689 1.00 0.00 C
244
+ ATOM 243 CD PRO A 18 -1.268 19.674 3.732 1.00 0.00 C
245
+ ATOM 244 HA PRO A 18 -1.424 22.514 2.289 1.00 0.00 H
246
+ ATOM 245 HB2 PRO A 18 -0.072 22.597 4.492 1.00 0.00 H
247
+ ATOM 246 HB3 PRO A 18 -1.600 22.299 4.577 1.00 0.00 H
248
+ ATOM 247 HG2 PRO A 18 0.489 20.355 4.640 1.00 0.00 H
249
+ ATOM 248 HG3 PRO A 18 -0.730 20.420 5.611 1.00 0.00 H
250
+ ATOM 249 HD2 PRO A 18 -0.859 18.802 3.617 1.00 0.00 H
251
+ ATOM 250 HD3 PRO A 18 -2.168 19.524 4.061 1.00 0.00 H
252
+ ATOM 251 N GLY A 19 1.639 21.709 2.369 1.00 0.00 N
253
+ ATOM 252 CA GLY A 19 2.576 21.008 1.476 1.00 0.00 C
254
+ ATOM 253 C GLY A 19 2.347 19.459 1.460 1.00 0.00 C
255
+ ATOM 254 O GLY A 19 1.397 18.910 2.030 1.00 0.00 O
256
+ ATOM 255 H GLY A 19 1.895 21.761 3.188 1.00 0.00 H
257
+ ATOM 256 HA2 GLY A 19 2.480 21.355 0.575 1.00 0.00 H
258
+ ATOM 257 HA3 GLY A 19 3.486 21.194 1.757 1.00 0.00 H
259
+ ATOM 258 N GLU A 20 3.206 18.683 0.792 1.00 0.00 N
260
+ ATOM 259 CA GLU A 20 4.528 18.968 0.462 1.00 0.00 C
261
+ ATOM 260 C GLU A 20 3.579 17.608 0.227 1.00 0.00 C
262
+ ATOM 261 O GLU A 20 3.552 16.620 0.969 1.00 0.00 O
263
+ ATOM 262 CB GLU A 20 5.562 18.956 1.610 1.00 0.00 C
264
+ ATOM 263 CG GLU A 20 6.983 19.279 1.110 1.00 0.00 C
265
+ ATOM 264 CD GLU A 20 7.327 20.772 1.192 1.00 0.00 C
266
+ ATOM 265 OE1 GLU A 20 6.844 21.547 0.337 1.00 0.00 O
267
+ ATOM 266 OE2 GLU A 20 8.052 21.178 2.127 1.00 0.00 O
268
+ ATOM 267 H GLU A 20 2.970 17.906 0.508 1.00 0.00 H
269
+ ATOM 268 HA GLU A 20 5.051 19.600 -0.056 1.00 0.00 H
270
+ ATOM 269 HB2 GLU A 20 5.303 19.603 2.285 1.00 0.00 H
271
+ ATOM 270 HB3 GLU A 20 5.560 18.085 2.037 1.00 0.00 H
272
+ ATOM 271 HG2 GLU A 20 7.626 18.776 1.633 1.00 0.00 H
273
+ ATOM 272 HG3 GLU A 20 7.071 18.983 0.191 1.00 0.00 H
274
+ ATOM 273 N ASN A 21 3.718 17.477 -1.104 1.00 0.00 N
275
+ ATOM 274 CA ASN A 21 4.396 16.316 -1.749 1.00 0.00 C
276
+ ATOM 275 C ASN A 21 3.511 15.049 -1.941 1.00 0.00 C
277
+ ATOM 276 O ASN A 21 2.438 15.138 -2.546 1.00 0.00 O
278
+ ATOM 277 CB ASN A 21 5.894 16.172 -1.254 1.00 0.00 C
279
+ ATOM 278 CG ASN A 21 6.959 16.830 -2.161 1.00 0.00 C
280
+ ATOM 279 OD1 ASN A 21 6.765 17.894 -2.746 1.00 0.00 O
281
+ ATOM 280 ND2 ASN A 21 8.143 16.251 -2.257 1.00 0.00 N
282
+ ATOM 281 H ASN A 21 3.423 18.058 -1.665 1.00 0.00 H
283
+ ATOM 282 HA ASN A 21 4.513 16.507 -2.693 1.00 0.00 H
284
+ ATOM 283 HB2 ASN A 21 5.964 16.558 -0.367 1.00 0.00 H
285
+ ATOM 284 HB3 ASN A 21 6.101 15.228 -1.170 1.00 0.00 H
286
+ ATOM 285 HD21 ASN A 21 8.765 16.619 -2.724 1.00 0.00 H
287
+ ATOM 286 HD22 ASN A 21 8.292 15.507 -1.853 1.00 0.00 H
288
+ ATOM 287 N LEU A 22 4.015 13.855 -1.587 1.00 0.00 N
289
+ ATOM 288 CA LEU A 22 3.888 12.655 -2.462 1.00 0.00 C
290
+ ATOM 289 C LEU A 22 3.218 11.518 -1.650 1.00 0.00 C
291
+ ATOM 290 O LEU A 22 3.395 11.424 -0.429 1.00 0.00 O
292
+ ATOM 291 CB LEU A 22 5.276 12.183 -3.015 1.00 0.00 C
293
+ ATOM 292 CG LEU A 22 6.300 13.234 -3.565 1.00 0.00 C
294
+ ATOM 293 CD1 LEU A 22 7.626 12.581 -4.003 1.00 0.00 C
295
+ ATOM 294 CD2 LEU A 22 5.734 14.172 -4.657 1.00 0.00 C
296
+ ATOM 295 H LEU A 22 4.433 13.712 -0.849 1.00 0.00 H
297
+ ATOM 296 HA LEU A 22 3.343 12.888 -3.230 1.00 0.00 H
298
+ ATOM 297 HB2 LEU A 22 5.719 11.694 -2.304 1.00 0.00 H
299
+ ATOM 298 HB3 LEU A 22 5.102 11.550 -3.729 1.00 0.00 H
300
+ ATOM 299 HG LEU A 22 6.488 13.811 -2.809 1.00 0.00 H
301
+ ATOM 300 HD11 LEU A 22 8.229 13.264 -4.336 1.00 0.00 H
302
+ ATOM 301 HD12 LEU A 22 8.032 12.133 -3.245 1.00 0.00 H
303
+ ATOM 302 HD13 LEU A 22 7.452 11.934 -4.705 1.00 0.00 H
304
+ ATOM 303 HD21 LEU A 22 6.425 14.789 -4.944 1.00 0.00 H
305
+ ATOM 304 HD22 LEU A 22 5.438 13.644 -5.415 1.00 0.00 H
306
+ ATOM 305 HD23 LEU A 22 4.984 14.671 -4.298 1.00 0.00 H
307
+ ATOM 306 N CYS A 23 2.445 10.639 -2.323 1.00 0.00 N
308
+ ATOM 307 CA CYS A 23 1.573 9.637 -1.643 1.00 0.00 C
309
+ ATOM 308 C CYS A 23 2.308 8.315 -1.232 1.00 0.00 C
310
+ ATOM 309 O CYS A 23 1.965 7.220 -1.678 1.00 0.00 O
311
+ ATOM 310 CB CYS A 23 0.370 9.450 -2.597 1.00 0.00 C
312
+ ATOM 311 SG CYS A 23 -1.028 8.730 -1.739 1.00 0.00 S
313
+ ATOM 312 H CYS A 23 2.409 10.604 -3.182 1.00 0.00 H
314
+ ATOM 313 HA CYS A 23 1.278 9.951 -0.774 1.00 0.00 H
315
+ ATOM 314 HB2 CYS A 23 0.116 10.307 -2.973 1.00 0.00 H
316
+ ATOM 315 HB3 CYS A 23 0.627 8.880 -3.338 1.00 0.00 H
317
+ ATOM 316 N TYR A 24 3.294 8.481 -0.332 1.00 0.00 N
318
+ ATOM 317 CA TYR A 24 4.421 7.557 -0.007 1.00 0.00 C
319
+ ATOM 318 C TYR A 24 4.087 6.047 0.190 1.00 0.00 C
320
+ ATOM 319 O TYR A 24 3.854 5.588 1.312 1.00 0.00 O
321
+ ATOM 320 CB TYR A 24 5.021 8.248 1.264 1.00 0.00 C
322
+ ATOM 321 CG TYR A 24 6.347 7.775 1.876 1.00 0.00 C
323
+ ATOM 322 CD1 TYR A 24 7.554 7.993 1.202 1.00 0.00 C
324
+ ATOM 323 CD2 TYR A 24 6.373 7.327 3.203 1.00 0.00 C
325
+ ATOM 324 CE1 TYR A 24 8.767 7.786 1.851 1.00 0.00 C
326
+ ATOM 325 CE2 TYR A 24 7.588 7.109 3.849 1.00 0.00 C
327
+ ATOM 326 CZ TYR A 24 8.786 7.343 3.174 1.00 0.00 C
328
+ ATOM 327 OH TYR A 24 9.987 7.165 3.817 1.00 0.00 O
329
+ ATOM 328 H TYR A 24 3.330 9.194 0.147 1.00 0.00 H
330
+ ATOM 329 HA TYR A 24 5.030 7.462 -0.756 1.00 0.00 H
331
+ ATOM 330 HB2 TYR A 24 5.127 9.189 1.052 1.00 0.00 H
332
+ ATOM 331 HB3 TYR A 24 4.350 8.189 1.962 1.00 0.00 H
333
+ ATOM 332 HD1 TYR A 24 7.545 8.277 0.317 1.00 0.00 H
334
+ ATOM 333 HD2 TYR A 24 5.575 7.174 3.655 1.00 0.00 H
335
+ ATOM 334 HE1 TYR A 24 9.566 7.943 1.402 1.00 0.00 H
336
+ ATOM 335 HE2 TYR A 24 7.600 6.808 4.729 1.00 0.00 H
337
+ ATOM 336 HH TYR A 24 10.587 7.006 3.251 1.00 0.00 H
338
+ ATOM 337 N ARG A 25 4.069 5.282 -0.922 1.00 0.00 N
339
+ ATOM 338 CA ARG A 25 3.402 3.958 -0.972 1.00 0.00 C
340
+ ATOM 339 C ARG A 25 4.399 2.816 -0.688 1.00 0.00 C
341
+ ATOM 340 O ARG A 25 5.272 2.505 -1.502 1.00 0.00 O
342
+ ATOM 341 CB ARG A 25 2.649 3.788 -2.318 1.00 0.00 C
343
+ ATOM 342 CG ARG A 25 1.762 2.515 -2.435 1.00 0.00 C
344
+ ATOM 343 CD ARG A 25 2.213 1.512 -3.515 1.00 0.00 C
345
+ ATOM 344 NE ARG A 25 1.912 1.985 -4.891 1.00 0.00 N
346
+ ATOM 345 CZ ARG A 25 2.781 2.015 -5.918 1.00 0.00 C
347
+ ATOM 346 NH1 ARG A 25 4.080 1.748 -5.811 1.00 0.00 N
348
+ ATOM 347 NH2 ARG A 25 2.309 2.336 -7.107 1.00 0.00 N
349
+ ATOM 348 H ARG A 25 4.440 5.514 -1.662 1.00 0.00 H
350
+ ATOM 349 HA ARG A 25 2.738 3.912 -0.266 1.00 0.00 H
351
+ ATOM 350 HB2 ARG A 25 2.089 4.567 -2.457 1.00 0.00 H
352
+ ATOM 351 HB3 ARG A 25 3.301 3.776 -3.036 1.00 0.00 H
353
+ ATOM 352 HG2 ARG A 25 1.751 2.064 -1.576 1.00 0.00 H
354
+ ATOM 353 HG3 ARG A 25 0.850 2.787 -2.624 1.00 0.00 H
355
+ ATOM 354 HD2 ARG A 25 3.167 1.357 -3.431 1.00 0.00 H
356
+ ATOM 355 HD3 ARG A 25 1.773 0.660 -3.365 1.00 0.00 H
357
+ ATOM 356 HE ARG A 25 1.113 2.264 -5.044 1.00 0.00 H
358
+ ATOM 357 HH11 ARG A 25 4.415 1.539 -5.047 1.00 0.00 H
359
+ ATOM 358 HH12 ARG A 25 4.585 1.784 -6.506 1.00 0.00 H
360
+ ATOM 359 HH21 ARG A 25 1.474 2.516 -7.204 1.00 0.00 H
361
+ ATOM 360 HH22 ARG A 25 2.837 2.365 -7.786 1.00 0.00 H
362
+ ATOM 361 N LYS A 26 4.174 2.164 0.463 1.00 0.00 N
363
+ ATOM 362 CA LYS A 26 4.849 0.900 0.837 1.00 0.00 C
364
+ ATOM 363 C LYS A 26 4.192 -0.277 0.070 1.00 0.00 C
365
+ ATOM 364 O LYS A 26 2.966 -0.432 0.070 1.00 0.00 O
366
+ ATOM 365 CB LYS A 26 4.726 0.674 2.372 1.00 0.00 C
367
+ ATOM 366 CG LYS A 26 5.930 1.013 3.277 1.00 0.00 C
368
+ ATOM 367 CD LYS A 26 6.117 -0.034 4.395 1.00 0.00 C
369
+ ATOM 368 CE LYS A 26 7.344 0.179 5.293 1.00 0.00 C
370
+ ATOM 369 NZ LYS A 26 7.130 1.226 6.308 1.00 0.00 N
371
+ ATOM 370 H LYS A 26 3.619 2.444 1.057 1.00 0.00 H
372
+ ATOM 371 HA LYS A 26 5.789 0.950 0.602 1.00 0.00 H
373
+ ATOM 372 HB2 LYS A 26 3.969 1.194 2.685 1.00 0.00 H
374
+ ATOM 373 HB3 LYS A 26 4.507 -0.260 2.514 1.00 0.00 H
375
+ ATOM 374 HG2 LYS A 26 6.736 1.060 2.739 1.00 0.00 H
376
+ ATOM 375 HG3 LYS A 26 5.801 1.889 3.672 1.00 0.00 H
377
+ ATOM 376 HD2 LYS A 26 5.323 -0.036 4.952 1.00 0.00 H
378
+ ATOM 377 HD3 LYS A 26 6.181 -0.912 3.988 1.00 0.00 H
379
+ ATOM 378 HE2 LYS A 26 7.565 -0.655 5.736 1.00 0.00 H
380
+ ATOM 379 HE3 LYS A 26 8.106 0.418 4.742 1.00 0.00 H
381
+ ATOM 380 HZ1 LYS A 26 7.648 1.065 7.014 1.00 0.00 H
382
+ ATOM 381 HZ2 LYS A 26 7.337 2.020 5.964 1.00 0.00 H
383
+ ATOM 382 HZ3 LYS A 26 6.276 1.225 6.560 1.00 0.00 H
384
+ ATOM 383 N MET A 27 5.032 -1.105 -0.562 1.00 0.00 N
385
+ ATOM 384 CA MET A 27 4.578 -2.306 -1.298 1.00 0.00 C
386
+ ATOM 385 C MET A 27 5.625 -3.408 -1.024 1.00 0.00 C
387
+ ATOM 386 O MET A 27 6.735 -3.339 -1.559 1.00 0.00 O
388
+ ATOM 387 CB MET A 27 4.390 -1.976 -2.803 1.00 0.00 C
389
+ ATOM 388 CG MET A 27 3.605 -3.030 -3.597 1.00 0.00 C
390
+ ATOM 389 SD MET A 27 3.342 -2.420 -5.276 1.00 0.00 S
391
+ ATOM 390 CE MET A 27 4.786 -3.072 -6.137 1.00 0.00 C
392
+ ATOM 391 H MET A 27 5.884 -0.990 -0.579 1.00 0.00 H
393
+ ATOM 392 HA MET A 27 3.709 -2.619 -1.001 1.00 0.00 H
394
+ ATOM 393 HB2 MET A 27 3.933 -1.124 -2.880 1.00 0.00 H
395
+ ATOM 394 HB3 MET A 27 5.264 -1.867 -3.209 1.00 0.00 H
396
+ ATOM 395 HG2 MET A 27 4.094 -3.868 -3.617 1.00 0.00 H
397
+ ATOM 396 HG3 MET A 27 2.754 -3.208 -3.168 1.00 0.00 H
398
+ ATOM 397 HE1 MET A 27 4.756 -2.804 -7.069 1.00 0.00 H
399
+ ATOM 398 HE2 MET A 27 5.593 -2.723 -5.727 1.00 0.00 H
400
+ ATOM 399 HE3 MET A 27 4.788 -4.040 -6.079 1.00 0.00 H
401
+ ATOM 400 N TRP A 28 5.268 -4.407 -0.185 1.00 0.00 N
402
+ ATOM 401 CA TRP A 28 6.215 -5.450 0.317 1.00 0.00 C
403
+ ATOM 402 C TRP A 28 7.077 -6.132 -0.777 1.00 0.00 C
404
+ ATOM 403 O TRP A 28 8.286 -5.873 -0.820 1.00 0.00 O
405
+ ATOM 404 CB TRP A 28 5.492 -6.421 1.292 1.00 0.00 C
406
+ ATOM 405 CG TRP A 28 6.399 -7.337 2.125 1.00 0.00 C
407
+ ATOM 406 CD1 TRP A 28 6.964 -8.547 1.677 1.00 0.00 C
408
+ ATOM 407 CD2 TRP A 28 6.853 -7.173 3.424 1.00 0.00 C
409
+ ATOM 408 NE1 TRP A 28 7.800 -9.126 2.646 1.00 0.00 N
410
+ ATOM 409 CE2 TRP A 28 7.718 -8.255 3.721 1.00 0.00 C
411
+ ATOM 410 CE3 TRP A 28 6.575 -6.191 4.412 1.00 0.00 C
412
+ ATOM 411 CZ2 TRP A 28 8.328 -8.355 4.993 1.00 0.00 C
413
+ ATOM 412 CZ3 TRP A 28 7.183 -6.310 5.665 1.00 0.00 C
414
+ ATOM 413 CH2 TRP A 28 8.045 -7.378 5.950 1.00 0.00 C
415
+ ATOM 414 H TRP A 28 4.467 -4.502 0.112 1.00 0.00 H
416
+ ATOM 415 HA TRP A 28 6.894 -4.990 0.835 1.00 0.00 H
417
+ ATOM 416 HB2 TRP A 28 4.948 -5.896 1.899 1.00 0.00 H
418
+ ATOM 417 HB3 TRP A 28 4.886 -6.977 0.777 1.00 0.00 H
419
+ ATOM 418 HD1 TRP A 28 6.803 -8.918 0.840 1.00 0.00 H
420
+ ATOM 419 HE1 TRP A 28 8.257 -9.852 2.586 1.00 0.00 H
421
+ ATOM 420 HE3 TRP A 28 6.000 -5.483 4.229 1.00 0.00 H
422
+ ATOM 421 HZ2 TRP A 28 8.906 -9.057 5.188 1.00 0.00 H
423
+ ATOM 422 HZ3 TRP A 28 7.013 -5.671 6.319 1.00 0.00 H
424
+ ATOM 423 HH2 TRP A 28 8.436 -7.437 6.792 1.00 0.00 H
425
+ ATOM 424 N CYS A 29 6.458 -6.947 -1.659 1.00 0.00 N
426
+ ATOM 425 CA CYS A 29 7.149 -7.605 -2.801 1.00 0.00 C
427
+ ATOM 426 C CYS A 29 8.358 -8.460 -2.313 1.00 0.00 C
428
+ ATOM 427 O CYS A 29 9.499 -7.992 -2.376 1.00 0.00 O
429
+ ATOM 428 CB CYS A 29 7.489 -6.578 -3.921 1.00 0.00 C
430
+ ATOM 429 SG CYS A 29 7.261 -7.288 -5.558 1.00 0.00 S
431
+ ATOM 430 H CYS A 29 5.620 -7.135 -1.612 1.00 0.00 H
432
+ ATOM 431 HA CYS A 29 6.542 -8.239 -3.215 1.00 0.00 H
433
+ ATOM 432 HB2 CYS A 29 6.925 -5.795 -3.825 1.00 0.00 H
434
+ ATOM 433 HB3 CYS A 29 8.407 -6.281 -3.821 1.00 0.00 H
435
+ ATOM 434 N ASP A 30 8.084 -9.658 -1.751 1.00 0.00 N
436
+ ATOM 435 CA ASP A 30 9.074 -10.461 -0.970 1.00 0.00 C
437
+ ATOM 436 C ASP A 30 10.489 -10.651 -1.623 1.00 0.00 C
438
+ ATOM 437 O ASP A 30 11.493 -10.446 -0.935 1.00 0.00 O
439
+ ATOM 438 CB ASP A 30 8.416 -11.811 -0.532 1.00 0.00 C
440
+ ATOM 439 CG ASP A 30 8.667 -12.249 0.919 1.00 0.00 C
441
+ ATOM 440 OD1 ASP A 30 9.833 -12.517 1.285 1.00 0.00 O
442
+ ATOM 441 OD2 ASP A 30 7.688 -12.338 1.696 1.00 0.00 O
443
+ ATOM 442 H ASP A 30 7.313 -10.034 -1.811 1.00 0.00 H
444
+ ATOM 443 HA ASP A 30 9.290 -9.930 -0.188 1.00 0.00 H
445
+ ATOM 444 HB2 ASP A 30 7.458 -11.741 -0.668 1.00 0.00 H
446
+ ATOM 445 HB3 ASP A 30 8.736 -12.512 -1.122 1.00 0.00 H
447
+ ATOM 446 N ALA A 31 10.546 -10.958 -2.945 1.00 0.00 N
448
+ ATOM 447 CA ALA A 31 11.767 -10.789 -3.794 1.00 0.00 C
449
+ ATOM 448 C ALA A 31 11.465 -10.615 -5.380 1.00 0.00 C
450
+ ATOM 449 O ALA A 31 11.919 -9.521 -5.738 1.00 0.00 O
451
+ ATOM 450 CB ALA A 31 12.891 -11.777 -3.368 1.00 0.00 C
452
+ ATOM 451 H ALA A 31 9.873 -11.272 -3.378 1.00 0.00 H
453
+ ATOM 452 HA ALA A 31 12.148 -9.916 -3.609 1.00 0.00 H
454
+ ATOM 453 HB1 ALA A 31 13.668 -11.646 -3.933 1.00 0.00 H
455
+ ATOM 454 HB2 ALA A 31 13.133 -11.613 -2.443 1.00 0.00 H
456
+ ATOM 455 HB3 ALA A 31 12.573 -12.689 -3.462 1.00 0.00 H
457
+ ATOM 456 N PHE A 32 11.922 -11.692 -6.092 1.00 0.00 N
458
+ ATOM 457 CA PHE A 32 11.285 -12.621 -6.956 1.00 0.00 C
459
+ ATOM 458 C PHE A 32 10.616 -11.328 -6.277 1.00 0.00 C
460
+ ATOM 459 O PHE A 32 10.282 -10.600 -7.253 1.00 0.00 O
461
+ ATOM 460 CB PHE A 32 11.338 -14.072 -6.367 1.00 0.00 C
462
+ ATOM 461 CG PHE A 32 12.507 -14.907 -6.912 1.00 0.00 C
463
+ ATOM 462 CD1 PHE A 32 13.798 -14.746 -6.390 1.00 0.00 C
464
+ ATOM 463 CD2 PHE A 32 12.297 -15.840 -7.936 1.00 0.00 C
465
+ ATOM 464 CE1 PHE A 32 14.854 -15.501 -6.887 1.00 0.00 C
466
+ ATOM 465 CE2 PHE A 32 13.356 -16.594 -8.429 1.00 0.00 C
467
+ ATOM 466 CZ PHE A 32 14.638 -16.428 -7.907 1.00 0.00 C
468
+ ATOM 467 H PHE A 32 12.758 -11.887 -6.039 1.00 0.00 H
469
+ ATOM 468 HA PHE A 32 11.242 -12.964 -7.862 1.00 0.00 H
470
+ ATOM 469 HB2 PHE A 32 11.409 -14.020 -5.401 1.00 0.00 H
471
+ ATOM 470 HB3 PHE A 32 10.504 -14.526 -6.566 1.00 0.00 H
472
+ ATOM 471 HD1 PHE A 32 13.949 -14.132 -5.708 1.00 0.00 H
473
+ ATOM 472 HD2 PHE A 32 11.444 -15.956 -8.288 1.00 0.00 H
474
+ ATOM 473 HE1 PHE A 32 15.709 -15.388 -6.538 1.00 0.00 H
475
+ ATOM 474 HE2 PHE A 32 13.209 -17.211 -9.109 1.00 0.00 H
476
+ ATOM 475 HZ PHE A 32 15.346 -16.933 -8.237 1.00 0.00 H
477
+ ATOM 476 N CYS A 33 9.555 -11.845 -5.619 1.00 0.00 N
478
+ ATOM 477 CA CYS A 33 8.104 -11.645 -5.901 1.00 0.00 C
479
+ ATOM 478 C CYS A 33 7.642 -11.890 -7.367 1.00 0.00 C
480
+ ATOM 479 O CYS A 33 7.691 -10.995 -8.215 1.00 0.00 O
481
+ ATOM 480 CB CYS A 33 7.526 -10.347 -5.310 1.00 0.00 C
482
+ ATOM 481 SG CYS A 33 8.426 -8.887 -5.816 1.00 0.00 S
483
+ ATOM 482 H CYS A 33 9.672 -12.363 -4.942 1.00 0.00 H
484
+ ATOM 483 HA CYS A 33 7.704 -12.380 -5.410 1.00 0.00 H
485
+ ATOM 484 HB2 CYS A 33 6.599 -10.259 -5.581 1.00 0.00 H
486
+ ATOM 485 HB3 CYS A 33 7.534 -10.407 -4.342 1.00 0.00 H
487
+ ATOM 486 N SER A 34 7.179 -13.118 -7.638 1.00 0.00 N
488
+ ATOM 487 CA SER A 34 6.652 -13.527 -8.963 1.00 0.00 C
489
+ ATOM 488 C SER A 34 5.202 -12.997 -9.178 1.00 0.00 C
490
+ ATOM 489 O SER A 34 5.008 -12.058 -9.958 1.00 0.00 O
491
+ ATOM 490 CB SER A 34 6.852 -15.057 -9.113 1.00 0.00 C
492
+ ATOM 491 OG SER A 34 6.160 -15.820 -8.123 1.00 0.00 O
493
+ ATOM 492 H SER A 34 7.160 -13.749 -7.054 1.00 0.00 H
494
+ ATOM 493 HA SER A 34 7.145 -13.117 -9.691 1.00 0.00 H
495
+ ATOM 494 HB2 SER A 34 6.549 -15.331 -9.993 1.00 0.00 H
496
+ ATOM 495 HB3 SER A 34 7.799 -15.259 -9.063 1.00 0.00 H
497
+ ATOM 496 HG SER A 34 6.300 -16.638 -8.251 1.00 0.00 H
498
+ ATOM 497 N SER A 35 4.209 -13.543 -8.447 1.00 0.00 N
499
+ ATOM 498 CA SER A 35 2.865 -12.920 -8.287 1.00 0.00 C
500
+ ATOM 499 C SER A 35 2.718 -12.582 -6.767 1.00 0.00 C
501
+ ATOM 500 O SER A 35 2.046 -13.305 -6.020 1.00 0.00 O
502
+ ATOM 501 CB SER A 35 1.753 -13.869 -8.819 1.00 0.00 C
503
+ ATOM 502 OG SER A 35 2.004 -14.260 -10.162 1.00 0.00 O
504
+ ATOM 503 H SER A 35 4.293 -14.289 -8.027 1.00 0.00 H
505
+ ATOM 504 HA SER A 35 2.772 -12.108 -8.809 1.00 0.00 H
506
+ ATOM 505 HB2 SER A 35 1.701 -14.657 -8.255 1.00 0.00 H
507
+ ATOM 506 HB3 SER A 35 0.893 -13.424 -8.765 1.00 0.00 H
508
+ ATOM 507 HG SER A 35 1.392 -14.772 -10.424 1.00 0.00 H
509
+ ATOM 508 N ARG A 36 3.408 -11.517 -6.291 1.00 0.00 N
510
+ ATOM 509 CA ARG A 36 3.572 -11.257 -4.830 1.00 0.00 C
511
+ ATOM 510 C ARG A 36 3.736 -9.744 -4.530 1.00 0.00 C
512
+ ATOM 511 O ARG A 36 4.012 -8.905 -5.391 1.00 0.00 O
513
+ ATOM 512 CB ARG A 36 4.727 -12.116 -4.216 1.00 0.00 C
514
+ ATOM 513 CG ARG A 36 4.284 -13.357 -3.409 1.00 0.00 C
515
+ ATOM 514 CD ARG A 36 4.431 -14.703 -4.144 1.00 0.00 C
516
+ ATOM 515 NE ARG A 36 3.611 -15.718 -3.437 1.00 0.00 N
517
+ ATOM 516 CZ ARG A 36 2.646 -16.458 -4.018 1.00 0.00 C
518
+ ATOM 517 NH1 ARG A 36 2.515 -16.618 -5.331 1.00 0.00 N
519
+ ATOM 518 NH2 ARG A 36 1.775 -17.065 -3.227 1.00 0.00 N
520
+ ATOM 519 H ARG A 36 3.789 -10.934 -6.795 1.00 0.00 H
521
+ ATOM 520 HA ARG A 36 2.754 -11.538 -4.392 1.00 0.00 H
522
+ ATOM 521 HB2 ARG A 36 5.307 -12.409 -4.936 1.00 0.00 H
523
+ ATOM 522 HB3 ARG A 36 5.258 -11.547 -3.637 1.00 0.00 H
524
+ ATOM 523 HG2 ARG A 36 4.802 -13.394 -2.589 1.00 0.00 H
525
+ ATOM 524 HG3 ARG A 36 3.355 -13.244 -3.153 1.00 0.00 H
526
+ ATOM 525 HD2 ARG A 36 4.140 -14.617 -5.065 1.00 0.00 H
527
+ ATOM 526 HD3 ARG A 36 5.362 -14.976 -4.164 1.00 0.00 H
528
+ ATOM 527 HE ARG A 36 3.762 -15.842 -2.600 1.00 0.00 H
529
+ ATOM 528 HH11 ARG A 36 3.068 -16.236 -5.868 1.00 0.00 H
530
+ ATOM 529 HH12 ARG A 36 1.878 -17.103 -5.644 1.00 0.00 H
531
+ ATOM 530 HH21 ARG A 36 1.837 -16.980 -2.373 1.00 0.00 H
532
+ ATOM 531 HH22 ARG A 36 1.147 -17.545 -3.567 1.00 0.00 H
533
+ ATOM 532 N GLY A 37 3.464 -9.437 -3.262 1.00 0.00 N
534
+ ATOM 533 CA GLY A 37 2.942 -8.134 -2.842 1.00 0.00 C
535
+ ATOM 534 C GLY A 37 1.666 -8.448 -2.041 1.00 0.00 C
536
+ ATOM 535 O GLY A 37 1.732 -9.020 -0.947 1.00 0.00 O
537
+ ATOM 536 H GLY A 37 3.579 -9.987 -2.611 1.00 0.00 H
538
+ ATOM 537 HA2 GLY A 37 3.588 -7.657 -2.298 1.00 0.00 H
539
+ ATOM 538 HA3 GLY A 37 2.745 -7.572 -3.608 1.00 0.00 H
540
+ ATOM 539 N LYS A 38 0.503 -8.039 -2.581 1.00 0.00 N
541
+ ATOM 540 CA LYS A 38 -0.743 -7.777 -1.795 1.00 0.00 C
542
+ ATOM 541 C LYS A 38 -0.519 -7.070 -0.413 1.00 0.00 C
543
+ ATOM 542 O LYS A 38 -0.812 -7.607 0.664 1.00 0.00 O
544
+ ATOM 543 CB LYS A 38 -1.779 -8.946 -1.789 1.00 0.00 C
545
+ ATOM 544 CG LYS A 38 -1.408 -10.270 -1.075 1.00 0.00 C
546
+ ATOM 545 CD LYS A 38 -0.971 -11.446 -1.995 1.00 0.00 C
547
+ ATOM 546 CE LYS A 38 -1.920 -12.650 -2.101 1.00 0.00 C
548
+ ATOM 547 NZ LYS A 38 -1.972 -13.439 -0.861 1.00 0.00 N
549
+ ATOM 548 H LYS A 38 0.406 -7.902 -3.424 1.00 0.00 H
550
+ ATOM 549 HA LYS A 38 -1.194 -7.094 -2.315 1.00 0.00 H
551
+ ATOM 550 HB2 LYS A 38 -2.595 -8.613 -1.384 1.00 0.00 H
552
+ ATOM 551 HB3 LYS A 38 -1.987 -9.159 -2.712 1.00 0.00 H
553
+ ATOM 552 HG2 LYS A 38 -0.689 -10.088 -0.450 1.00 0.00 H
554
+ ATOM 553 HG3 LYS A 38 -2.172 -10.559 -0.552 1.00 0.00 H
555
+ ATOM 554 HD2 LYS A 38 -0.833 -11.093 -2.888 1.00 0.00 H
556
+ ATOM 555 HD3 LYS A 38 -0.111 -11.768 -1.682 1.00 0.00 H
557
+ ATOM 556 HE2 LYS A 38 -2.812 -12.337 -2.319 1.00 0.00 H
558
+ ATOM 557 HE3 LYS A 38 -1.633 -13.220 -2.832 1.00 0.00 H
559
+ ATOM 558 HZ1 LYS A 38 -2.693 -13.961 -0.871 1.00 0.00 H
560
+ ATOM 559 HZ2 LYS A 38 -1.241 -13.943 -0.799 1.00 0.00 H
561
+ ATOM 560 HZ3 LYS A 38 -2.013 -12.890 -0.161 1.00 0.00 H
562
+ ATOM 561 N VAL A 39 0.113 -5.884 -0.516 1.00 0.00 N
563
+ ATOM 562 CA VAL A 39 0.531 -5.052 0.630 1.00 0.00 C
564
+ ATOM 563 C VAL A 39 0.499 -3.660 -0.022 1.00 0.00 C
565
+ ATOM 564 O VAL A 39 1.374 -3.309 -0.820 1.00 0.00 O
566
+ ATOM 565 CB VAL A 39 1.937 -5.405 1.257 1.00 0.00 C
567
+ ATOM 566 CG1 VAL A 39 2.404 -4.381 2.332 1.00 0.00 C
568
+ ATOM 567 CG2 VAL A 39 2.002 -6.825 1.863 1.00 0.00 C
569
+ ATOM 568 H VAL A 39 0.315 -5.534 -1.275 1.00 0.00 H
570
+ ATOM 569 HA VAL A 39 -0.037 -5.167 1.408 1.00 0.00 H
571
+ ATOM 570 HB VAL A 39 2.542 -5.364 0.500 1.00 0.00 H
572
+ ATOM 571 HG11 VAL A 39 3.269 -4.648 2.680 1.00 0.00 H
573
+ ATOM 572 HG12 VAL A 39 2.475 -3.501 1.931 1.00 0.00 H
574
+ ATOM 573 HG13 VAL A 39 1.759 -4.355 3.056 1.00 0.00 H
575
+ ATOM 574 HG21 VAL A 39 2.886 -6.980 2.230 1.00 0.00 H
576
+ ATOM 575 HG22 VAL A 39 1.341 -6.907 2.568 1.00 0.00 H
577
+ ATOM 576 HG23 VAL A 39 1.820 -7.481 1.172 1.00 0.00 H
578
+ ATOM 577 N VAL A 40 -0.470 -2.838 0.379 1.00 0.00 N
579
+ ATOM 578 CA VAL A 40 -0.291 -1.366 0.366 1.00 0.00 C
580
+ ATOM 579 C VAL A 40 0.122 -0.918 1.813 1.00 0.00 C
581
+ ATOM 580 O VAL A 40 0.443 -1.725 2.695 1.00 0.00 O
582
+ ATOM 581 CB VAL A 40 -1.500 -0.614 -0.290 1.00 0.00 C
583
+ ATOM 582 CG1 VAL A 40 -1.782 -1.013 -1.756 1.00 0.00 C
584
+ ATOM 583 CG2 VAL A 40 -2.784 -0.690 0.544 1.00 0.00 C
585
+ ATOM 584 H VAL A 40 -1.238 -3.101 0.662 1.00 0.00 H
586
+ ATOM 585 HA VAL A 40 0.433 -1.104 -0.224 1.00 0.00 H
587
+ ATOM 586 HB VAL A 40 -1.208 0.311 -0.306 1.00 0.00 H
588
+ ATOM 587 HG11 VAL A 40 -2.540 -0.507 -2.089 1.00 0.00 H
589
+ ATOM 588 HG12 VAL A 40 -1.002 -0.821 -2.300 1.00 0.00 H
590
+ ATOM 589 HG13 VAL A 40 -1.982 -1.961 -1.801 1.00 0.00 H
591
+ ATOM 590 HG21 VAL A 40 -3.494 -0.209 0.090 1.00 0.00 H
592
+ ATOM 591 HG22 VAL A 40 -3.043 -1.618 0.656 1.00 0.00 H
593
+ ATOM 592 HG23 VAL A 40 -2.629 -0.291 1.414 1.00 0.00 H
594
+ ATOM 593 N GLU A 41 0.135 0.403 2.041 1.00 0.00 N
595
+ ATOM 594 CA GLU A 41 0.299 0.988 3.395 1.00 0.00 C
596
+ ATOM 595 C GLU A 41 -0.068 2.485 3.230 1.00 0.00 C
597
+ ATOM 596 O GLU A 41 -1.227 2.835 3.458 1.00 0.00 O
598
+ ATOM 597 CB GLU A 41 1.683 0.666 4.057 1.00 0.00 C
599
+ ATOM 598 CG GLU A 41 1.668 0.074 5.476 1.00 0.00 C
600
+ ATOM 599 CD GLU A 41 1.820 1.138 6.573 1.00 0.00 C
601
+ ATOM 600 OE1 GLU A 41 2.920 1.729 6.677 1.00 0.00 O
602
+ ATOM 601 OE2 GLU A 41 0.852 1.395 7.322 1.00 0.00 O
603
+ ATOM 602 H GLU A 41 0.049 0.990 1.418 1.00 0.00 H
604
+ ATOM 603 HA GLU A 41 -0.291 0.585 4.052 1.00 0.00 H
605
+ ATOM 604 HB2 GLU A 41 2.155 0.046 3.479 1.00 0.00 H
606
+ ATOM 605 HB3 GLU A 41 2.202 1.485 4.079 1.00 0.00 H
607
+ ATOM 606 HG2 GLU A 41 0.836 -0.406 5.612 1.00 0.00 H
608
+ ATOM 607 HG3 GLU A 41 2.386 -0.573 5.559 1.00 0.00 H
609
+ ATOM 608 N LEU A 42 0.894 3.324 2.790 1.00 0.00 N
610
+ ATOM 609 CA LEU A 42 0.763 4.790 2.603 1.00 0.00 C
611
+ ATOM 610 C LEU A 42 0.143 5.643 3.750 1.00 0.00 C
612
+ ATOM 611 O LEU A 42 -0.980 5.411 4.209 1.00 0.00 O
613
+ ATOM 612 CB LEU A 42 0.257 5.251 1.207 1.00 0.00 C
614
+ ATOM 613 CG LEU A 42 -1.214 4.942 0.805 1.00 0.00 C
615
+ ATOM 614 CD1 LEU A 42 -1.894 6.199 0.237 1.00 0.00 C
616
+ ATOM 615 CD2 LEU A 42 -1.283 3.762 -0.194 1.00 0.00 C
617
+ ATOM 616 H LEU A 42 1.679 3.039 2.583 1.00 0.00 H
618
+ ATOM 617 HA LEU A 42 1.708 5.004 2.656 1.00 0.00 H
619
+ ATOM 618 HB2 LEU A 42 0.381 6.211 1.152 1.00 0.00 H
620
+ ATOM 619 HB3 LEU A 42 0.835 4.851 0.538 1.00 0.00 H
621
+ ATOM 620 HG LEU A 42 -1.697 4.675 1.602 1.00 0.00 H
622
+ ATOM 621 HD11 LEU A 42 -2.809 5.989 -0.008 1.00 0.00 H
623
+ ATOM 622 HD12 LEU A 42 -1.892 6.899 0.908 1.00 0.00 H
624
+ ATOM 623 HD13 LEU A 42 -1.411 6.502 -0.548 1.00 0.00 H
625
+ ATOM 624 HD21 LEU A 42 -2.208 3.590 -0.428 1.00 0.00 H
626
+ ATOM 625 HD22 LEU A 42 -0.784 3.986 -0.995 1.00 0.00 H
627
+ ATOM 626 HD23 LEU A 42 -0.900 2.970 0.214 1.00 0.00 H
628
+ ATOM 627 N GLY A 43 0.866 6.710 4.108 1.00 0.00 N
629
+ ATOM 628 CA GLY A 43 0.276 7.868 4.816 1.00 0.00 C
630
+ ATOM 629 C GLY A 43 0.980 9.212 4.516 1.00 0.00 C
631
+ ATOM 630 O GLY A 43 1.072 10.037 5.428 1.00 0.00 O
632
+ ATOM 631 H GLY A 43 1.708 6.788 3.951 1.00 0.00 H
633
+ ATOM 632 HA2 GLY A 43 -0.660 7.942 4.572 1.00 0.00 H
634
+ ATOM 633 HA3 GLY A 43 0.308 7.702 5.771 1.00 0.00 H
635
+ ATOM 634 N CYS A 44 1.441 9.445 3.263 1.00 0.00 N
636
+ ATOM 635 CA CYS A 44 2.139 10.680 2.825 1.00 0.00 C
637
+ ATOM 636 C CYS A 44 3.502 10.961 3.532 1.00 0.00 C
638
+ ATOM 637 O CYS A 44 3.677 10.724 4.732 1.00 0.00 O
639
+ ATOM 638 CB CYS A 44 1.202 11.913 2.783 1.00 0.00 C
640
+ ATOM 639 SG CYS A 44 1.615 12.945 1.359 1.00 0.00 S
641
+ ATOM 640 H CYS A 44 1.352 8.871 2.629 1.00 0.00 H
642
+ ATOM 641 HA CYS A 44 2.396 10.497 1.908 1.00 0.00 H
643
+ ATOM 642 HB2 CYS A 44 0.277 11.625 2.728 1.00 0.00 H
644
+ ATOM 643 HB3 CYS A 44 1.291 12.426 3.602 1.00 0.00 H
645
+ ATOM 644 N ALA A 45 4.455 11.507 2.764 1.00 0.00 N
646
+ ATOM 645 CA ALA A 45 5.701 12.103 3.309 1.00 0.00 C
647
+ ATOM 646 C ALA A 45 5.884 13.540 2.736 1.00 0.00 C
648
+ ATOM 647 O ALA A 45 5.060 14.068 1.975 1.00 0.00 O
649
+ ATOM 648 CB ALA A 45 6.878 11.146 3.005 1.00 0.00 C
650
+ ATOM 649 H ALA A 45 4.402 11.545 1.906 1.00 0.00 H
651
+ ATOM 650 HA ALA A 45 5.661 12.204 4.273 1.00 0.00 H
652
+ ATOM 651 HB1 ALA A 45 7.700 11.523 3.356 1.00 0.00 H
653
+ ATOM 652 HB2 ALA A 45 6.713 10.286 3.423 1.00 0.00 H
654
+ ATOM 653 HB3 ALA A 45 6.960 11.028 2.046 1.00 0.00 H
655
+ ATOM 654 N ALA A 46 6.991 14.181 3.137 1.00 0.00 N
656
+ ATOM 655 CA ALA A 46 7.431 15.472 2.548 1.00 0.00 C
657
+ ATOM 656 C ALA A 46 8.471 15.388 1.385 1.00 0.00 C
658
+ ATOM 657 O ALA A 46 8.837 16.436 0.846 1.00 0.00 O
659
+ ATOM 658 CB ALA A 46 7.979 16.314 3.719 1.00 0.00 C
660
+ ATOM 659 H ALA A 46 7.510 13.886 3.756 1.00 0.00 H
661
+ ATOM 660 HA ALA A 46 6.662 15.872 2.112 1.00 0.00 H
662
+ ATOM 661 HB1 ALA A 46 8.282 17.173 3.386 1.00 0.00 H
663
+ ATOM 662 HB2 ALA A 46 7.278 16.451 4.375 1.00 0.00 H
664
+ ATOM 663 HB3 ALA A 46 8.722 15.848 4.133 1.00 0.00 H
665
+ ATOM 664 N THR A 47 9.001 14.196 1.025 1.00 0.00 N
666
+ ATOM 665 CA THR A 47 10.345 14.072 0.392 1.00 0.00 C
667
+ ATOM 666 C THR A 47 10.518 12.676 -0.303 1.00 0.00 C
668
+ ATOM 667 O THR A 47 9.844 11.697 0.039 1.00 0.00 O
669
+ ATOM 668 CB THR A 47 11.450 14.444 1.445 1.00 0.00 C
670
+ ATOM 669 OG1 THR A 47 12.713 14.548 0.808 1.00 0.00 O
671
+ ATOM 670 CG2 THR A 47 11.556 13.556 2.707 1.00 0.00 C
672
+ ATOM 671 H THR A 47 8.598 13.445 1.139 1.00 0.00 H
673
+ ATOM 672 HA THR A 47 10.443 14.707 -0.335 1.00 0.00 H
674
+ ATOM 673 HB THR A 47 11.154 15.298 1.796 1.00 0.00 H
675
+ ATOM 674 HG1 THR A 47 13.321 14.366 1.359 1.00 0.00 H
676
+ ATOM 675 HG21 THR A 47 12.270 13.885 3.275 1.00 0.00 H
677
+ ATOM 676 HG22 THR A 47 10.717 13.583 3.193 1.00 0.00 H
678
+ ATOM 677 HG23 THR A 47 11.748 12.642 2.445 1.00 0.00 H
679
+ ATOM 678 N CYS A 48 11.455 12.598 -1.277 1.00 0.00 N
680
+ ATOM 679 CA CYS A 48 11.747 11.350 -2.047 1.00 0.00 C
681
+ ATOM 680 C CYS A 48 13.097 10.562 -1.775 1.00 0.00 C
682
+ ATOM 681 O CYS A 48 13.435 9.757 -2.652 1.00 0.00 O
683
+ ATOM 682 CB CYS A 48 11.603 11.737 -3.544 1.00 0.00 C
684
+ ATOM 683 SG CYS A 48 11.248 10.306 -4.599 1.00 0.00 S
685
+ ATOM 684 H CYS A 48 11.941 13.267 -1.512 1.00 0.00 H
686
+ ATOM 685 HA CYS A 48 11.112 10.687 -1.734 1.00 0.00 H
687
+ ATOM 686 HB2 CYS A 48 10.892 12.390 -3.639 1.00 0.00 H
688
+ ATOM 687 HB3 CYS A 48 12.421 12.162 -3.845 1.00 0.00 H
689
+ ATOM 688 N PRO A 49 13.884 10.628 -0.644 1.00 0.00 N
690
+ ATOM 689 CA PRO A 49 15.059 9.738 -0.392 1.00 0.00 C
691
+ ATOM 690 C PRO A 49 14.779 8.235 -0.049 1.00 0.00 C
692
+ ATOM 691 O PRO A 49 15.733 7.485 0.176 1.00 0.00 O
693
+ ATOM 692 CB PRO A 49 15.775 10.472 0.760 1.00 0.00 C
694
+ ATOM 693 CG PRO A 49 14.647 11.094 1.573 1.00 0.00 C
695
+ ATOM 694 CD PRO A 49 13.642 11.504 0.504 1.00 0.00 C
696
+ ATOM 695 HA PRO A 49 15.571 9.624 -1.208 1.00 0.00 H
697
+ ATOM 696 HB2 PRO A 49 16.301 9.859 1.297 1.00 0.00 H
698
+ ATOM 697 HB3 PRO A 49 16.383 11.149 0.424 1.00 0.00 H
699
+ ATOM 698 HG2 PRO A 49 14.265 10.461 2.201 1.00 0.00 H
700
+ ATOM 699 HG3 PRO A 49 14.954 11.856 2.089 1.00 0.00 H
701
+ ATOM 700 HD2 PRO A 49 12.733 11.407 0.828 1.00 0.00 H
702
+ ATOM 701 HD3 PRO A 49 13.758 12.435 0.259 1.00 0.00 H
703
+ ATOM 702 N SER A 50 13.506 7.789 -0.076 1.00 0.00 N
704
+ ATOM 703 CA SER A 50 13.146 6.362 -0.185 1.00 0.00 C
705
+ ATOM 704 C SER A 50 13.233 5.907 -1.676 1.00 0.00 C
706
+ ATOM 705 O SER A 50 12.543 6.415 -2.567 1.00 0.00 O
707
+ ATOM 706 CB SER A 50 11.746 6.182 0.415 1.00 0.00 C
708
+ ATOM 707 OG SER A 50 11.448 4.803 0.455 1.00 0.00 O
709
+ ATOM 708 H SER A 50 12.825 8.313 -0.031 1.00 0.00 H
710
+ ATOM 709 HA SER A 50 13.764 5.800 0.308 1.00 0.00 H
711
+ ATOM 710 HB2 SER A 50 11.711 6.560 1.308 1.00 0.00 H
712
+ ATOM 711 HB3 SER A 50 11.088 6.654 -0.119 1.00 0.00 H
713
+ ATOM 712 HG SER A 50 12.115 4.364 0.194 1.00 0.00 H
714
+ ATOM 713 N LYS A 51 14.183 4.991 -1.888 1.00 0.00 N
715
+ ATOM 714 CA LYS A 51 14.842 4.691 -3.202 1.00 0.00 C
716
+ ATOM 715 C LYS A 51 15.955 3.566 -3.060 1.00 0.00 C
717
+ ATOM 716 O LYS A 51 16.822 3.436 -3.928 1.00 0.00 O
718
+ ATOM 717 CB LYS A 51 15.471 5.972 -3.856 1.00 0.00 C
719
+ ATOM 718 CG LYS A 51 16.443 6.772 -2.951 1.00 0.00 C
720
+ ATOM 719 CD LYS A 51 17.681 7.401 -3.611 1.00 0.00 C
721
+ ATOM 720 CE LYS A 51 18.495 8.235 -2.589 1.00 0.00 C
722
+ ATOM 721 NZ LYS A 51 19.010 9.482 -3.179 1.00 0.00 N
723
+ ATOM 722 H LYS A 51 14.485 4.498 -1.251 1.00 0.00 H
724
+ ATOM 723 HA LYS A 51 14.139 4.364 -3.785 1.00 0.00 H
725
+ ATOM 724 HB2 LYS A 51 15.946 5.707 -4.659 1.00 0.00 H
726
+ ATOM 725 HB3 LYS A 51 14.752 6.561 -4.133 1.00 0.00 H
727
+ ATOM 726 HG2 LYS A 51 15.938 7.483 -2.526 1.00 0.00 H
728
+ ATOM 727 HG3 LYS A 51 16.749 6.181 -2.246 1.00 0.00 H
729
+ ATOM 728 HD2 LYS A 51 18.242 6.703 -3.984 1.00 0.00 H
730
+ ATOM 729 HD3 LYS A 51 17.405 7.967 -4.349 1.00 0.00 H
731
+ ATOM 730 HE2 LYS A 51 17.934 8.447 -1.826 1.00 0.00 H
732
+ ATOM 731 HE3 LYS A 51 19.237 7.705 -2.258 1.00 0.00 H
733
+ ATOM 732 HZ1 LYS A 51 19.018 10.122 -2.561 1.00 0.00 H
734
+ ATOM 733 HZ2 LYS A 51 19.837 9.349 -3.479 1.00 0.00 H
735
+ ATOM 734 HZ3 LYS A 51 18.486 9.729 -3.855 1.00 0.00 H
736
+ ATOM 735 N LYS A 52 15.978 2.779 -1.963 1.00 0.00 N
737
+ ATOM 736 CA LYS A 52 17.220 2.170 -1.389 1.00 0.00 C
738
+ ATOM 737 C LYS A 52 17.169 0.597 -1.620 1.00 0.00 C
739
+ ATOM 738 O LYS A 52 16.342 0.159 -2.434 1.00 0.00 O
740
+ ATOM 739 CB LYS A 52 17.391 2.713 0.081 1.00 0.00 C
741
+ ATOM 740 CG LYS A 52 17.161 4.234 0.329 1.00 0.00 C
742
+ ATOM 741 CD LYS A 52 17.117 4.709 1.806 1.00 0.00 C
743
+ ATOM 742 CE LYS A 52 18.416 5.186 2.535 1.00 0.00 C
744
+ ATOM 743 NZ LYS A 52 19.395 5.910 1.706 1.00 0.00 N
745
+ ATOM 744 H LYS A 52 15.268 2.578 -1.522 1.00 0.00 H
746
+ ATOM 745 HA LYS A 52 18.043 2.430 -1.831 1.00 0.00 H
747
+ ATOM 746 HB2 LYS A 52 16.779 2.223 0.652 1.00 0.00 H
748
+ ATOM 747 HB3 LYS A 52 18.289 2.496 0.375 1.00 0.00 H
749
+ ATOM 748 HG2 LYS A 52 17.866 4.723 -0.124 1.00 0.00 H
750
+ ATOM 749 HG3 LYS A 52 16.325 4.485 -0.093 1.00 0.00 H
751
+ ATOM 750 HD2 LYS A 52 16.481 5.440 1.851 1.00 0.00 H
752
+ ATOM 751 HD3 LYS A 52 16.749 3.980 2.329 1.00 0.00 H
753
+ ATOM 752 HE2 LYS A 52 18.159 5.759 3.274 1.00 0.00 H
754
+ ATOM 753 HE3 LYS A 52 18.854 4.410 2.917 1.00 0.00 H
755
+ ATOM 754 HZ1 LYS A 52 20.075 6.177 2.214 1.00 0.00 H
756
+ ATOM 755 HZ2 LYS A 52 19.698 5.372 1.065 1.00 0.00 H
757
+ ATOM 756 HZ3 LYS A 52 19.005 6.620 1.337 1.00 0.00 H
758
+ ATOM 757 N PRO A 53 18.013 -0.329 -1.054 1.00 0.00 N
759
+ ATOM 758 CA PRO A 53 18.096 -1.746 -1.531 1.00 0.00 C
760
+ ATOM 759 C PRO A 53 16.865 -2.633 -1.163 1.00 0.00 C
761
+ ATOM 760 O PRO A 53 16.067 -2.965 -2.046 1.00 0.00 O
762
+ ATOM 761 CB PRO A 53 19.463 -2.222 -0.997 1.00 0.00 C
763
+ ATOM 762 CG PRO A 53 19.753 -1.353 0.227 1.00 0.00 C
764
+ ATOM 763 CD PRO A 53 19.065 -0.017 -0.067 1.00 0.00 C
765
+ ATOM 764 HA PRO A 53 18.051 -1.821 -2.497 1.00 0.00 H
766
+ ATOM 765 HB2 PRO A 53 19.436 -3.162 -0.759 1.00 0.00 H
767
+ ATOM 766 HB3 PRO A 53 20.155 -2.119 -1.669 1.00 0.00 H
768
+ ATOM 767 HG2 PRO A 53 19.404 -1.758 1.036 1.00 0.00 H
769
+ ATOM 768 HG3 PRO A 53 20.707 -1.236 0.357 1.00 0.00 H
770
+ ATOM 769 HD2 PRO A 53 18.686 0.366 0.739 1.00 0.00 H
771
+ ATOM 770 HD3 PRO A 53 19.695 0.631 -0.420 1.00 0.00 H
772
+ ATOM 771 N TYR A 54 16.706 -2.968 0.126 1.00 0.00 N
773
+ ATOM 772 CA TYR A 54 15.524 -3.700 0.671 1.00 0.00 C
774
+ ATOM 773 C TYR A 54 14.546 -2.634 1.236 1.00 0.00 C
775
+ ATOM 774 O TYR A 54 14.531 -2.342 2.436 1.00 0.00 O
776
+ ATOM 775 CB TYR A 54 15.899 -4.826 1.702 1.00 0.00 C
777
+ ATOM 776 CG TYR A 54 17.244 -4.694 2.455 1.00 0.00 C
778
+ ATOM 777 CD1 TYR A 54 17.409 -3.765 3.489 1.00 0.00 C
779
+ ATOM 778 CD2 TYR A 54 18.369 -5.321 1.908 1.00 0.00 C
780
+ ATOM 779 CE1 TYR A 54 18.690 -3.433 3.930 1.00 0.00 C
781
+ ATOM 780 CE2 TYR A 54 19.644 -4.989 2.350 1.00 0.00 C
782
+ ATOM 781 CZ TYR A 54 19.807 -4.034 3.351 1.00 0.00 C
783
+ ATOM 782 OH TYR A 54 21.069 -3.666 3.741 1.00 0.00 O
784
+ ATOM 783 H TYR A 54 17.290 -2.776 0.728 1.00 0.00 H
785
+ ATOM 784 HA TYR A 54 15.090 -4.199 -0.039 1.00 0.00 H
786
+ ATOM 785 HB2 TYR A 54 15.191 -4.873 2.363 1.00 0.00 H
787
+ ATOM 786 HB3 TYR A 54 15.903 -5.673 1.230 1.00 0.00 H
788
+ ATOM 787 HD1 TYR A 54 16.665 -3.369 3.882 1.00 0.00 H
789
+ ATOM 788 HD2 TYR A 54 18.263 -5.964 1.244 1.00 0.00 H
790
+ ATOM 789 HE1 TYR A 54 18.799 -2.810 4.611 1.00 0.00 H
791
+ ATOM 790 HE2 TYR A 54 20.388 -5.404 1.978 1.00 0.00 H
792
+ ATOM 791 HH TYR A 54 21.637 -4.100 3.300 1.00 0.00 H
793
+ ATOM 792 N GLU A 55 13.737 -2.057 0.328 1.00 0.00 N
794
+ ATOM 793 CA GLU A 55 12.643 -1.122 0.691 1.00 0.00 C
795
+ ATOM 794 C GLU A 55 11.307 -1.824 0.297 1.00 0.00 C
796
+ ATOM 795 O GLU A 55 11.087 -2.997 0.621 1.00 0.00 O
797
+ ATOM 796 CB GLU A 55 12.949 0.305 0.125 1.00 0.00 C
798
+ ATOM 797 CG GLU A 55 14.094 1.076 0.822 1.00 0.00 C
799
+ ATOM 798 CD GLU A 55 13.669 1.992 1.976 1.00 0.00 C
800
+ ATOM 799 OE1 GLU A 55 13.416 1.487 3.093 1.00 0.00 O
801
+ ATOM 800 OE2 GLU A 55 13.600 3.226 1.771 1.00 0.00 O
802
+ ATOM 801 H GLU A 55 13.806 -2.196 -0.518 1.00 0.00 H
803
+ ATOM 802 HA GLU A 55 12.559 -0.936 1.639 1.00 0.00 H
804
+ ATOM 803 HB2 GLU A 55 13.165 0.221 -0.817 1.00 0.00 H
805
+ ATOM 804 HB3 GLU A 55 12.141 0.838 0.184 1.00 0.00 H
806
+ ATOM 805 HG2 GLU A 55 14.736 0.433 1.161 1.00 0.00 H
807
+ ATOM 806 HG3 GLU A 55 14.553 1.612 0.157 1.00 0.00 H
808
+ ATOM 807 N GLU A 56 10.358 -1.074 -0.276 1.00 0.00 N
809
+ ATOM 808 CA GLU A 56 8.918 -1.123 0.101 1.00 0.00 C
810
+ ATOM 809 C GLU A 56 8.368 0.253 -0.365 1.00 0.00 C
811
+ ATOM 810 O GLU A 56 7.722 0.346 -1.414 1.00 0.00 O
812
+ ATOM 811 CB GLU A 56 8.608 -1.420 1.615 1.00 0.00 C
813
+ ATOM 812 CG GLU A 56 8.238 -2.880 1.912 1.00 0.00 C
814
+ ATOM 813 CD GLU A 56 8.526 -3.347 3.339 1.00 0.00 C
815
+ ATOM 814 OE1 GLU A 56 7.700 -3.090 4.241 1.00 0.00 O
816
+ ATOM 815 OE2 GLU A 56 9.575 -3.989 3.566 1.00 0.00 O
817
+ ATOM 816 H GLU A 56 10.526 -0.512 -0.905 1.00 0.00 H
818
+ ATOM 817 HA GLU A 56 8.486 -1.881 -0.324 1.00 0.00 H
819
+ ATOM 818 HB2 GLU A 56 9.384 -1.180 2.146 1.00 0.00 H
820
+ ATOM 819 HB3 GLU A 56 7.879 -0.848 1.903 1.00 0.00 H
821
+ ATOM 820 HG2 GLU A 56 7.293 -3.002 1.732 1.00 0.00 H
822
+ ATOM 821 HG3 GLU A 56 8.721 -3.453 1.296 1.00 0.00 H
823
+ ATOM 822 N VAL A 57 8.681 1.321 0.400 1.00 0.00 N
824
+ ATOM 823 CA VAL A 57 8.458 2.730 -0.001 1.00 0.00 C
825
+ ATOM 824 C VAL A 57 9.398 3.114 -1.182 1.00 0.00 C
826
+ ATOM 825 O VAL A 57 10.581 2.759 -1.227 1.00 0.00 O
827
+ ATOM 826 CB VAL A 57 8.556 3.717 1.225 1.00 0.00 C
828
+ ATOM 827 CG1 VAL A 57 7.184 4.004 1.884 1.00 0.00 C
829
+ ATOM 828 CG2 VAL A 57 9.587 3.365 2.332 1.00 0.00 C
830
+ ATOM 829 H VAL A 57 9.035 1.244 1.180 1.00 0.00 H
831
+ ATOM 830 HA VAL A 57 7.548 2.817 -0.324 1.00 0.00 H
832
+ ATOM 831 HB VAL A 57 8.896 4.516 0.793 1.00 0.00 H
833
+ ATOM 832 HG11 VAL A 57 7.304 4.614 2.629 1.00 0.00 H
834
+ ATOM 833 HG12 VAL A 57 6.589 4.404 1.231 1.00 0.00 H
835
+ ATOM 834 HG13 VAL A 57 6.799 3.174 2.205 1.00 0.00 H
836
+ ATOM 835 HG21 VAL A 57 9.557 4.039 3.029 1.00 0.00 H
837
+ ATOM 836 HG22 VAL A 57 9.372 2.499 2.711 1.00 0.00 H
838
+ ATOM 837 HG23 VAL A 57 10.477 3.337 1.948 1.00 0.00 H
839
+ ATOM 838 N THR A 58 8.802 3.810 -2.157 1.00 0.00 N
840
+ ATOM 839 CA THR A 58 9.505 4.313 -3.376 1.00 0.00 C
841
+ ATOM 840 C THR A 58 9.228 5.827 -3.672 1.00 0.00 C
842
+ ATOM 841 O THR A 58 9.645 6.300 -4.734 1.00 0.00 O
843
+ ATOM 842 CB THR A 58 9.140 3.409 -4.605 1.00 0.00 C
844
+ ATOM 843 OG1 THR A 58 7.733 3.403 -4.846 1.00 0.00 O
845
+ ATOM 844 CG2 THR A 58 9.620 1.945 -4.519 1.00 0.00 C
846
+ ATOM 845 H THR A 58 7.966 4.012 -2.139 1.00 0.00 H
847
+ ATOM 846 HA THR A 58 10.458 4.255 -3.206 1.00 0.00 H
848
+ ATOM 847 HB THR A 58 9.623 3.821 -5.338 1.00 0.00 H
849
+ ATOM 848 HG1 THR A 58 7.449 4.193 -4.869 1.00 0.00 H
850
+ ATOM 849 HG21 THR A 58 9.349 1.468 -5.319 1.00 0.00 H
851
+ ATOM 850 HG22 THR A 58 10.587 1.925 -4.443 1.00 0.00 H
852
+ ATOM 851 HG23 THR A 58 9.226 1.520 -3.741 1.00 0.00 H
853
+ ATOM 852 N CYS A 59 8.507 6.588 -2.803 1.00 0.00 N
854
+ ATOM 853 CA CYS A 59 7.749 7.809 -3.200 1.00 0.00 C
855
+ ATOM 854 C CYS A 59 6.678 7.555 -4.324 1.00 0.00 C
856
+ ATOM 855 O CYS A 59 6.801 6.629 -5.137 1.00 0.00 O
857
+ ATOM 856 CB CYS A 59 8.614 9.091 -3.356 1.00 0.00 C
858
+ ATOM 857 SG CYS A 59 10.391 8.804 -3.570 1.00 0.00 S
859
+ ATOM 858 H CYS A 59 8.446 6.407 -1.965 1.00 0.00 H
860
+ ATOM 859 HA CYS A 59 7.207 8.029 -2.426 1.00 0.00 H
861
+ ATOM 860 HB2 CYS A 59 8.288 9.593 -4.120 1.00 0.00 H
862
+ ATOM 861 HB3 CYS A 59 8.483 9.649 -2.573 1.00 0.00 H
863
+ ATOM 862 N CYS A 60 5.584 8.345 -4.332 1.00 0.00 N
864
+ ATOM 863 CA CYS A 60 4.402 8.056 -5.195 1.00 0.00 C
865
+ ATOM 864 C CYS A 60 3.766 9.389 -5.675 1.00 0.00 C
866
+ ATOM 865 O CYS A 60 2.722 9.831 -5.186 1.00 0.00 O
867
+ ATOM 866 CB CYS A 60 3.434 7.108 -4.437 1.00 0.00 C
868
+ ATOM 867 SG CYS A 60 3.180 5.524 -5.269 1.00 0.00 S
869
+ ATOM 868 H CYS A 60 5.502 9.051 -3.848 1.00 0.00 H
870
+ ATOM 869 HA CYS A 60 4.659 7.585 -6.003 1.00 0.00 H
871
+ ATOM 870 HB2 CYS A 60 3.783 6.945 -3.547 1.00 0.00 H
872
+ ATOM 871 HB3 CYS A 60 2.577 7.550 -4.330 1.00 0.00 H
873
+ ATOM 872 N SER A 61 4.416 10.034 -6.660 1.00 0.00 N
874
+ ATOM 873 CA SER A 61 4.035 11.393 -7.129 1.00 0.00 C
875
+ ATOM 874 C SER A 61 2.986 11.373 -8.288 1.00 0.00 C
876
+ ATOM 875 O SER A 61 2.431 10.326 -8.635 1.00 0.00 O
877
+ ATOM 876 CB SER A 61 5.364 12.121 -7.473 1.00 0.00 C
878
+ ATOM 877 OG SER A 61 6.010 11.554 -8.611 1.00 0.00 O
879
+ ATOM 878 H SER A 61 5.090 9.700 -7.077 1.00 0.00 H
880
+ ATOM 879 HA SER A 61 3.564 11.883 -6.437 1.00 0.00 H
881
+ ATOM 880 HB2 SER A 61 5.183 13.059 -7.640 1.00 0.00 H
882
+ ATOM 881 HB3 SER A 61 5.961 12.079 -6.710 1.00 0.00 H
883
+ ATOM 882 HG SER A 61 6.721 11.973 -8.767 1.00 0.00 H
884
+ ATOM 883 N THR A 62 2.735 12.558 -8.882 1.00 0.00 N
885
+ ATOM 884 CA THR A 62 2.066 12.728 -10.207 1.00 0.00 C
886
+ ATOM 885 C THR A 62 0.516 12.759 -10.146 1.00 0.00 C
887
+ ATOM 886 O THR A 62 -0.078 13.782 -10.498 1.00 0.00 O
888
+ ATOM 887 CB THR A 62 2.621 11.934 -11.435 1.00 0.00 C
889
+ ATOM 888 OG1 THR A 62 2.293 10.552 -11.359 1.00 0.00 O
890
+ ATOM 889 CG2 THR A 62 4.136 12.063 -11.649 1.00 0.00 C
891
+ ATOM 890 H THR A 62 2.953 13.307 -8.520 1.00 0.00 H
892
+ ATOM 891 HA THR A 62 2.360 13.628 -10.418 1.00 0.00 H
893
+ ATOM 892 HB THR A 62 2.184 12.348 -12.196 1.00 0.00 H
894
+ ATOM 893 HG1 THR A 62 2.013 10.372 -10.588 1.00 0.00 H
895
+ ATOM 894 HG21 THR A 62 4.399 11.544 -12.425 1.00 0.00 H
896
+ ATOM 895 HG22 THR A 62 4.365 12.995 -11.791 1.00 0.00 H
897
+ ATOM 896 HG23 THR A 62 4.603 11.731 -10.866 1.00 0.00 H
898
+ ATOM 897 N ASP A 63 -0.136 11.655 -9.755 1.00 0.00 N
899
+ ATOM 898 CA ASP A 63 -1.607 11.607 -9.571 1.00 0.00 C
900
+ ATOM 899 C ASP A 63 -1.874 10.915 -8.188 1.00 0.00 C
901
+ ATOM 900 O ASP A 63 -1.023 10.773 -7.303 1.00 0.00 O
902
+ ATOM 901 CB ASP A 63 -2.297 10.873 -10.784 1.00 0.00 C
903
+ ATOM 902 CG ASP A 63 -2.070 11.271 -12.254 1.00 0.00 C
904
+ ATOM 903 OD1 ASP A 63 -0.943 11.652 -12.637 1.00 0.00 O
905
+ ATOM 904 OD2 ASP A 63 -3.025 11.145 -13.053 1.00 0.00 O
906
+ ATOM 905 H ASP A 63 0.258 10.909 -9.588 1.00 0.00 H
907
+ ATOM 906 HA ASP A 63 -1.997 12.495 -9.559 1.00 0.00 H
908
+ ATOM 907 HB2 ASP A 63 -2.052 9.937 -10.713 1.00 0.00 H
909
+ ATOM 908 HB3 ASP A 63 -3.253 10.929 -10.630 1.00 0.00 H
910
+ ATOM 909 N LYS A 64 -3.091 10.379 -8.065 1.00 0.00 N
911
+ ATOM 910 CA LYS A 64 -3.315 8.943 -7.747 1.00 0.00 C
912
+ ATOM 911 C LYS A 64 -2.305 7.909 -8.365 1.00 0.00 C
913
+ ATOM 912 O LYS A 64 -2.555 7.279 -9.394 1.00 0.00 O
914
+ ATOM 913 CB LYS A 64 -4.816 8.575 -7.998 1.00 0.00 C
915
+ ATOM 914 CG LYS A 64 -5.717 9.346 -9.000 1.00 0.00 C
916
+ ATOM 915 CD LYS A 64 -5.794 8.785 -10.433 1.00 0.00 C
917
+ ATOM 916 CE LYS A 64 -7.204 9.024 -11.009 1.00 0.00 C
918
+ ATOM 917 NZ LYS A 64 -7.266 9.039 -12.474 1.00 0.00 N
919
+ ATOM 918 H LYS A 64 -3.817 10.830 -8.162 1.00 0.00 H
920
+ ATOM 919 HA LYS A 64 -3.111 8.854 -6.803 1.00 0.00 H
921
+ ATOM 920 HB2 LYS A 64 -4.830 7.645 -8.274 1.00 0.00 H
922
+ ATOM 921 HB3 LYS A 64 -5.259 8.622 -7.136 1.00 0.00 H
923
+ ATOM 922 HG2 LYS A 64 -6.616 9.376 -8.638 1.00 0.00 H
924
+ ATOM 923 HG3 LYS A 64 -5.400 10.262 -9.050 1.00 0.00 H
925
+ ATOM 924 HD2 LYS A 64 -5.129 9.214 -10.994 1.00 0.00 H
926
+ ATOM 925 HD3 LYS A 64 -5.593 7.836 -10.430 1.00 0.00 H
927
+ ATOM 926 HE2 LYS A 64 -7.798 8.332 -10.678 1.00 0.00 H
928
+ ATOM 927 HE3 LYS A 64 -7.539 9.870 -10.673 1.00 0.00 H
929
+ ATOM 928 HZ1 LYS A 64 -7.833 9.671 -12.741 1.00 0.00 H
930
+ ATOM 929 HZ2 LYS A 64 -6.457 9.209 -12.804 1.00 0.00 H
931
+ ATOM 930 HZ3 LYS A 64 -7.545 8.247 -12.768 1.00 0.00 H
932
+ ATOM 931 N CYS A 65 -1.179 7.722 -7.641 1.00 0.00 N
933
+ ATOM 932 CA CYS A 65 -0.290 6.527 -7.748 1.00 0.00 C
934
+ ATOM 933 C CYS A 65 -0.924 5.141 -7.353 1.00 0.00 C
935
+ ATOM 934 O CYS A 65 -0.365 4.091 -7.689 1.00 0.00 O
936
+ ATOM 935 CB CYS A 65 0.895 6.840 -6.802 1.00 0.00 C
937
+ ATOM 936 SG CYS A 65 2.352 5.823 -7.066 1.00 0.00 S
938
+ ATOM 937 H CYS A 65 -0.903 8.295 -7.062 1.00 0.00 H
939
+ ATOM 938 HA CYS A 65 -0.057 6.405 -8.682 1.00 0.00 H
940
+ ATOM 939 HB2 CYS A 65 1.142 7.772 -6.910 1.00 0.00 H
941
+ ATOM 940 HB3 CYS A 65 0.599 6.729 -5.885 1.00 0.00 H
942
+ ATOM 941 N ASN A 66 -2.069 5.172 -6.640 1.00 0.00 N
943
+ ATOM 942 CA ASN A 66 -2.706 4.041 -5.928 1.00 0.00 C
944
+ ATOM 943 C ASN A 66 -3.047 2.832 -6.850 1.00 0.00 C
945
+ ATOM 944 O ASN A 66 -3.804 3.032 -7.809 1.00 0.00 O
946
+ ATOM 945 CB ASN A 66 -4.027 4.523 -5.256 1.00 0.00 C
947
+ ATOM 946 CG ASN A 66 -3.935 5.742 -4.322 1.00 0.00 C
948
+ ATOM 947 OD1 ASN A 66 -3.837 6.872 -4.796 1.00 0.00 O
949
+ ATOM 948 ND2 ASN A 66 -3.966 5.554 -3.012 1.00 0.00 N
950
+ ATOM 949 H ASN A 66 -2.521 5.899 -6.555 1.00 0.00 H
951
+ ATOM 950 HA ASN A 66 -2.057 3.738 -5.274 1.00 0.00 H
952
+ ATOM 951 HB2 ASN A 66 -4.664 4.729 -5.958 1.00 0.00 H
953
+ ATOM 952 HB3 ASN A 66 -4.394 3.782 -4.749 1.00 0.00 H
954
+ ATOM 953 HD21 ASN A 66 -3.917 6.228 -2.480 1.00 0.00 H
955
+ ATOM 954 HD22 ASN A 66 -4.035 4.758 -2.693 1.00 0.00 H
956
+ ATOM 955 N PRO A 67 -2.564 1.581 -6.596 1.00 0.00 N
957
+ ATOM 956 CA PRO A 67 -2.916 0.407 -7.427 1.00 0.00 C
958
+ ATOM 957 C PRO A 67 -4.343 -0.124 -7.074 1.00 0.00 C
959
+ ATOM 958 O PRO A 67 -5.324 0.339 -7.656 1.00 0.00 O
960
+ ATOM 959 CB PRO A 67 -1.688 -0.515 -7.206 1.00 0.00 C
961
+ ATOM 960 CG PRO A 67 -1.186 -0.195 -5.797 1.00 0.00 C
962
+ ATOM 961 CD PRO A 67 -1.496 1.292 -5.617 1.00 0.00 C
963
+ ATOM 962 HA PRO A 67 -3.035 0.552 -8.379 1.00 0.00 H
964
+ ATOM 963 HB2 PRO A 67 -1.934 -1.450 -7.285 1.00 0.00 H
965
+ ATOM 964 HB3 PRO A 67 -1.000 -0.346 -7.869 1.00 0.00 H
966
+ ATOM 965 HG2 PRO A 67 -1.637 -0.734 -5.129 1.00 0.00 H
967
+ ATOM 966 HG3 PRO A 67 -0.236 -0.372 -5.710 1.00 0.00 H
968
+ ATOM 967 HD2 PRO A 67 -1.788 1.483 -4.712 1.00 0.00 H
969
+ ATOM 968 HD3 PRO A 67 -0.711 1.837 -5.783 1.00 0.00 H
970
+ ATOM 969 N HIS A 68 -4.413 -1.072 -6.128 1.00 0.00 N
971
+ ATOM 970 CA HIS A 68 -5.550 -1.992 -5.842 1.00 0.00 C
972
+ ATOM 971 C HIS A 68 -5.033 -2.931 -4.667 1.00 0.00 C
973
+ ATOM 972 O HIS A 68 -3.873 -2.850 -4.237 1.00 0.00 O
974
+ ATOM 973 CB HIS A 68 -5.928 -2.874 -7.093 1.00 0.00 C
975
+ ATOM 974 CG HIS A 68 -6.660 -2.219 -8.264 1.00 0.00 C
976
+ ATOM 975 ND1 HIS A 68 -6.151 -2.167 -9.555 1.00 0.00 N
977
+ ATOM 976 CD2 HIS A 68 -7.844 -1.458 -8.181 1.00 0.00 C
978
+ ATOM 977 CE1 HIS A 68 -7.062 -1.321 -10.136 1.00 0.00 C
979
+ ATOM 978 NE2 HIS A 68 -8.121 -0.861 -9.399 1.00 0.00 N
980
+ ATOM 979 H HIS A 68 -3.753 -1.210 -5.594 1.00 0.00 H
981
+ ATOM 980 HA HIS A 68 -6.348 -1.491 -5.610 1.00 0.00 H
982
+ ATOM 981 HB2 HIS A 68 -5.108 -3.260 -7.439 1.00 0.00 H
983
+ ATOM 982 HB3 HIS A 68 -6.477 -3.609 -6.778 1.00 0.00 H
984
+ ATOM 983 HD1 HIS A 68 -5.462 -2.554 -9.894 1.00 0.00 H
985
+ ATOM 984 HD2 HIS A 68 -8.365 -1.370 -7.416 1.00 0.00 H
986
+ ATOM 985 HE1 HIS A 68 -6.961 -1.062 -11.023 1.00 0.00 H
987
+ ATOM 986 HE2 HIS A 68 -8.772 -0.348 -9.628 1.00 0.00 H
988
+ ATOM 987 N PRO A 69 -5.744 -4.011 -4.240 1.00 0.00 N
989
+ ATOM 988 CA PRO A 69 -5.098 -5.344 -4.083 1.00 0.00 C
990
+ ATOM 989 C PRO A 69 -4.522 -5.813 -5.439 1.00 0.00 C
991
+ ATOM 990 O PRO A 69 -5.294 -5.965 -6.390 1.00 0.00 O
992
+ ATOM 991 CB PRO A 69 -6.248 -6.231 -3.572 1.00 0.00 C
993
+ ATOM 992 CG PRO A 69 -7.560 -5.492 -3.892 1.00 0.00 C
994
+ ATOM 993 CD PRO A 69 -7.207 -4.011 -4.069 1.00 0.00 C
995
+ ATOM 994 HA PRO A 69 -4.343 -5.358 -3.475 1.00 0.00 H
996
+ ATOM 995 HB2 PRO A 69 -6.229 -7.100 -4.003 1.00 0.00 H
997
+ ATOM 996 HB3 PRO A 69 -6.165 -6.386 -2.618 1.00 0.00 H
998
+ ATOM 997 HG2 PRO A 69 -7.966 -5.847 -4.698 1.00 0.00 H
999
+ ATOM 998 HG3 PRO A 69 -8.203 -5.608 -3.175 1.00 0.00 H
1000
+ ATOM 999 HD2 PRO A 69 -7.655 -3.629 -4.840 1.00 0.00 H
1001
+ ATOM 1000 HD3 PRO A 69 -7.474 -3.487 -3.297 1.00 0.00 H
1002
+ ATOM 1001 N LYS A 70 -3.182 -5.930 -5.560 1.00 0.00 N
1003
+ ATOM 1002 CA LYS A 70 -2.527 -6.152 -6.889 1.00 0.00 C
1004
+ ATOM 1003 C LYS A 70 -3.092 -7.426 -7.605 1.00 0.00 C
1005
+ ATOM 1004 O LYS A 70 -3.875 -7.211 -8.524 1.00 0.00 O
1006
+ ATOM 1005 CB LYS A 70 -0.997 -5.889 -6.941 1.00 0.00 C
1007
+ ATOM 1006 CG LYS A 70 -0.027 -6.500 -5.889 1.00 0.00 C
1008
+ ATOM 1007 CD LYS A 70 0.690 -7.811 -6.293 1.00 0.00 C
1009
+ ATOM 1008 CE LYS A 70 0.119 -9.113 -5.679 1.00 0.00 C
1010
+ ATOM 1009 NZ LYS A 70 0.109 -10.234 -6.633 1.00 0.00 N
1011
+ ATOM 1010 H LYS A 70 -2.635 -5.885 -4.898 1.00 0.00 H
1012
+ ATOM 1011 HA LYS A 70 -2.801 -5.426 -7.470 1.00 0.00 H
1013
+ ATOM 1012 HB2 LYS A 70 -0.690 -6.186 -7.812 1.00 0.00 H
1014
+ ATOM 1013 HB3 LYS A 70 -0.876 -4.927 -6.910 1.00 0.00 H
1015
+ ATOM 1014 HG2 LYS A 70 0.649 -5.837 -5.677 1.00 0.00 H
1016
+ ATOM 1015 HG3 LYS A 70 -0.527 -6.666 -5.075 1.00 0.00 H
1017
+ ATOM 1016 HD2 LYS A 70 0.661 -7.890 -7.259 1.00 0.00 H
1018
+ ATOM 1017 HD3 LYS A 70 1.624 -7.739 -6.042 1.00 0.00 H
1019
+ ATOM 1018 HE2 LYS A 70 0.646 -9.358 -4.903 1.00 0.00 H
1020
+ ATOM 1019 HE3 LYS A 70 -0.785 -8.950 -5.368 1.00 0.00 H
1021
+ ATOM 1020 HZ1 LYS A 70 -0.469 -10.852 -6.359 1.00 0.00 H
1022
+ ATOM 1021 HZ2 LYS A 70 -0.133 -9.938 -7.437 1.00 0.00 H
1023
+ ATOM 1022 HZ3 LYS A 70 0.923 -10.590 -6.681 1.00 0.00 H
1024
+ ATOM 1023 N GLN A 71 -2.838 -8.659 -7.123 1.00 0.00 N
1025
+ ATOM 1024 CA GLN A 71 -3.738 -9.867 -7.240 1.00 0.00 C
1026
+ ATOM 1025 C GLN A 71 -4.722 -10.163 -8.443 1.00 0.00 C
1027
+ ATOM 1026 O GLN A 71 -5.571 -11.057 -8.309 1.00 0.00 O
1028
+ ATOM 1027 CB GLN A 71 -4.299 -10.209 -5.782 1.00 0.00 C
1029
+ ATOM 1028 CG GLN A 71 -5.411 -11.297 -5.587 1.00 0.00 C
1030
+ ATOM 1029 CD GLN A 71 -5.813 -11.742 -4.156 1.00 0.00 C
1031
+ ATOM 1030 OE1 GLN A 71 -5.292 -11.265 -3.137 1.00 0.00 O
1032
+ ATOM 1031 NE2 GLN A 71 -6.742 -12.706 -4.077 1.00 0.00 N
1033
+ ATOM 1032 H GLN A 71 -2.111 -8.836 -6.700 1.00 0.00 H
1034
+ ATOM 1033 HA GLN A 71 -3.123 -10.517 -7.613 1.00 0.00 H
1035
+ ATOM 1034 HB2 GLN A 71 -3.540 -10.476 -5.240 1.00 0.00 H
1036
+ ATOM 1035 HB3 GLN A 71 -4.640 -9.382 -5.406 1.00 0.00 H
1037
+ ATOM 1036 HG2 GLN A 71 -6.213 -10.972 -6.025 1.00 0.00 H
1038
+ ATOM 1037 HG3 GLN A 71 -5.127 -12.090 -6.067 1.00 0.00 H
1039
+ ATOM 1038 HE21 GLN A 71 -7.093 -13.025 -4.795 1.00 0.00 H
1040
+ ATOM 1039 HE22 GLN A 71 -6.987 -13.005 -3.309 1.00 0.00 H
1041
+ ATOM 1040 N ARG A 72 -4.564 -9.601 -9.685 1.00 0.00 N
1042
+ ATOM 1041 CA ARG A 72 -5.648 -9.621 -10.626 1.00 0.00 C
1043
+ ATOM 1042 C ARG A 72 -4.083 -10.195 -10.773 1.00 0.00 C
1044
+ ATOM 1043 O ARG A 72 -3.256 -9.380 -11.218 1.00 0.00 O
1045
+ ATOM 1044 CB ARG A 72 -6.153 -8.443 -11.496 1.00 0.00 C
1046
+ ATOM 1045 CG ARG A 72 -6.311 -7.032 -10.897 1.00 0.00 C
1047
+ ATOM 1046 CD ARG A 72 -7.425 -6.809 -9.837 1.00 0.00 C
1048
+ ATOM 1047 NE ARG A 72 -7.067 -7.222 -8.463 1.00 0.00 N
1049
+ ATOM 1048 CZ ARG A 72 -7.808 -8.032 -7.680 1.00 0.00 C
1050
+ ATOM 1049 NH1 ARG A 72 -8.786 -8.809 -8.141 1.00 0.00 N
1051
+ ATOM 1050 NH2 ARG A 72 -7.545 -8.078 -6.389 1.00 0.00 N
1052
+ ATOM 1051 H ARG A 72 -3.844 -9.221 -9.964 1.00 0.00 H
1053
+ ATOM 1052 HA ARG A 72 -6.573 -9.913 -10.630 1.00 0.00 H
1054
+ ATOM 1053 HB2 ARG A 72 -5.549 -8.366 -12.251 1.00 0.00 H
1055
+ ATOM 1054 HB3 ARG A 72 -7.018 -8.701 -11.851 1.00 0.00 H
1056
+ ATOM 1055 HG2 ARG A 72 -5.464 -6.784 -10.494 1.00 0.00 H
1057
+ ATOM 1056 HG3 ARG A 72 -6.469 -6.415 -11.628 1.00 0.00 H
1058
+ ATOM 1057 HD2 ARG A 72 -7.660 -5.868 -9.827 1.00 0.00 H
1059
+ ATOM 1058 HD3 ARG A 72 -8.217 -7.297 -10.112 1.00 0.00 H
1060
+ ATOM 1059 HE ARG A 72 -6.329 -6.922 -8.138 1.00 0.00 H
1061
+ ATOM 1060 HH11 ARG A 72 -8.974 -8.812 -8.980 1.00 0.00 H
1062
+ ATOM 1061 HH12 ARG A 72 -9.230 -9.308 -7.600 1.00 0.00 H
1063
+ ATOM 1062 HH21 ARG A 72 -6.911 -7.597 -6.062 1.00 0.00 H
1064
+ ATOM 1063 HH22 ARG A 72 -8.007 -8.589 -5.874 1.00 0.00 H
1065
+ ATOM 1064 N PRO A 73 -3.900 -11.646 -11.030 1.00 0.00 N
1066
+ ATOM 1065 CA PRO A 73 -3.437 -12.503 -9.953 1.00 0.00 C
1067
+ ATOM 1066 C PRO A 73 -2.704 -12.158 -11.347 1.00 0.00 C
1068
+ ATOM 1067 O PRO A 73 -1.591 -11.667 -11.147 1.00 0.00 O
1069
+ ATOM 1068 CB PRO A 73 -3.911 -13.974 -9.835 1.00 0.00 C
1070
+ ATOM 1069 CG PRO A 73 -5.054 -14.003 -10.836 1.00 0.00 C
1071
+ ATOM 1070 CD PRO A 73 -5.184 -12.496 -11.103 1.00 0.00 C
1072
+ ATOM 1071 HA PRO A 73 -3.330 -12.412 -8.993 1.00 0.00 H
1073
+ ATOM 1072 HB2 PRO A 73 -3.209 -14.603 -10.063 1.00 0.00 H
1074
+ ATOM 1073 HB3 PRO A 73 -4.206 -14.192 -8.937 1.00 0.00 H
1075
+ ATOM 1074 HG2 PRO A 73 -4.838 -14.507 -11.636 1.00 0.00 H
1076
+ ATOM 1075 HG3 PRO A 73 -5.864 -14.389 -10.468 1.00 0.00 H
1077
+ ATOM 1076 HD2 PRO A 73 -5.569 -12.381 -11.986 1.00 0.00 H
1078
+ ATOM 1077 HD3 PRO A 73 -5.820 -12.133 -10.466 1.00 0.00 H
1079
+ ATOM 1078 N GLY A 74 -3.237 -11.679 -12.402 1.00 0.00 N
1080
+ ATOM 1079 CA GLY A 74 -3.518 -12.498 -13.608 1.00 0.00 C
1081
+ ATOM 1080 C GLY A 74 -2.375 -13.214 -14.336 1.00 0.00 C
1082
+ ATOM 1081 O GLY A 74 -1.439 -12.542 -14.831 1.00 0.00 O
1083
+ ATOM 1082 OXT GLY A 74 -2.431 -14.457 -14.455 1.00 0.00 O
1084
+ ATOM 1083 H GLY A 74 -3.467 -10.854 -12.482 1.00 0.00 H
1085
+ ATOM 1084 HA2 GLY A 74 -4.165 -13.174 -13.352 1.00 0.00 H
1086
+ ATOM 1085 HA3 GLY A 74 -3.953 -11.919 -14.254 1.00 0.00 H
1087
+ TER 1086 GLY A 74
1088
+ CONECT 43 311
1089
+ CONECT 218 639
1090
+ CONECT 311 43
1091
+ CONECT 429 481
1092
+ CONECT 481 429
1093
+ CONECT 639 218
1094
+ CONECT 683 857
1095
+ CONECT 857 683
1096
+ CONECT 867 936
1097
+ CONECT 936 867
1098
+ END
1jvu/1jvu_ligand.mol2 ADDED
@@ -0,0 +1,83 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:49 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 1jvu_ligand
7
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+ 1 C2P 1
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+
1jvu/1jvu_ligand.sdf ADDED
@@ -0,0 +1,77 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ 1jvu_ligand
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1jvu/1jvu_protein_esmfold_aligned_tr_fix.pdb ADDED
@@ -0,0 +1,962 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ REMARK 1 CREATED WITH OPENMM 8.0, 2023-02-21
2
+ ATOM 1 N LYS A 1 37.108 -20.331 26.726 1.00 0.00 N
3
+ ATOM 2 CA LYS A 1 37.506 -19.045 26.161 1.00 0.00 C
4
+ ATOM 3 C LYS A 1 36.287 -18.184 25.841 1.00 0.00 C
5
+ ATOM 4 CB LYS A 1 38.348 -19.249 24.901 1.00 0.00 C
6
+ ATOM 5 O LYS A 1 35.309 -18.671 25.268 1.00 0.00 O
7
+ ATOM 6 CG LYS A 1 39.160 -18.027 24.495 1.00 0.00 C
8
+ ATOM 7 CD LYS A 1 40.077 -18.331 23.317 1.00 0.00 C
9
+ ATOM 8 CE LYS A 1 40.862 -17.100 22.886 1.00 0.00 C
10
+ ATOM 9 NZ LYS A 1 41.788 -17.402 21.755 1.00 0.00 N
11
+ ATOM 10 N GLU A 2 36.139 -16.953 26.375 1.00 0.00 N
12
+ ATOM 11 CA GLU A 2 34.993 -16.067 26.185 1.00 0.00 C
13
+ ATOM 12 C GLU A 2 34.899 -15.591 24.738 1.00 0.00 C
14
+ ATOM 13 CB GLU A 2 35.080 -14.866 27.130 1.00 0.00 C
15
+ ATOM 14 O GLU A 2 35.916 -15.282 24.113 1.00 0.00 O
16
+ ATOM 15 CG GLU A 2 33.864 -13.953 27.075 1.00 0.00 C
17
+ ATOM 16 CD GLU A 2 33.975 -12.750 27.999 1.00 0.00 C
18
+ ATOM 17 OE1 GLU A 2 35.094 -12.213 28.165 1.00 0.00 O
19
+ ATOM 18 OE2 GLU A 2 32.936 -12.343 28.564 1.00 0.00 O
20
+ ATOM 19 N THR A 3 33.747 -15.674 24.097 1.00 0.00 N
21
+ ATOM 20 CA THR A 3 33.541 -15.160 22.747 1.00 0.00 C
22
+ ATOM 21 C THR A 3 33.680 -13.642 22.718 1.00 0.00 C
23
+ ATOM 22 CB THR A 3 32.158 -15.563 22.201 1.00 0.00 C
24
+ ATOM 23 O THR A 3 33.603 -12.987 23.760 1.00 0.00 O
25
+ ATOM 24 CG2 THR A 3 31.945 -17.070 22.297 1.00 0.00 C
26
+ ATOM 25 OG1 THR A 3 31.140 -14.899 22.960 1.00 0.00 O
27
+ ATOM 26 N ALA A 4 33.949 -13.099 21.477 1.00 0.00 N
28
+ ATOM 27 CA ALA A 4 34.021 -11.648 21.325 1.00 0.00 C
29
+ ATOM 28 C ALA A 4 32.732 -10.983 21.799 1.00 0.00 C
30
+ ATOM 29 CB ALA A 4 34.303 -11.280 19.870 1.00 0.00 C
31
+ ATOM 30 O ALA A 4 32.770 -9.931 22.443 1.00 0.00 O
32
+ ATOM 31 N ALA A 5 31.563 -11.543 21.501 1.00 0.00 N
33
+ ATOM 32 CA ALA A 5 30.275 -11.006 21.935 1.00 0.00 C
34
+ ATOM 33 C ALA A 5 30.148 -11.051 23.455 1.00 0.00 C
35
+ ATOM 34 CB ALA A 5 29.130 -11.778 21.285 1.00 0.00 C
36
+ ATOM 35 O ALA A 5 29.672 -10.096 24.073 1.00 0.00 O
37
+ ATOM 36 N ALA A 6 30.543 -12.134 24.028 1.00 0.00 N
38
+ ATOM 37 CA ALA A 6 30.490 -12.259 25.482 1.00 0.00 C
39
+ ATOM 38 C ALA A 6 31.431 -11.261 26.153 1.00 0.00 C
40
+ ATOM 39 CB ALA A 6 30.839 -13.684 25.907 1.00 0.00 C
41
+ ATOM 40 O ALA A 6 31.091 -10.676 27.183 1.00 0.00 O
42
+ ATOM 41 N LYS A 7 32.577 -11.153 25.537 1.00 0.00 N
43
+ ATOM 42 CA LYS A 7 33.523 -10.163 26.043 1.00 0.00 C
44
+ ATOM 43 C LYS A 7 32.937 -8.756 25.971 1.00 0.00 C
45
+ ATOM 44 CB LYS A 7 34.835 -10.225 25.259 1.00 0.00 C
46
+ ATOM 45 O LYS A 7 33.073 -7.973 26.914 1.00 0.00 O
47
+ ATOM 46 CG LYS A 7 35.909 -9.278 25.774 1.00 0.00 C
48
+ ATOM 47 CD LYS A 7 37.198 -9.407 24.973 1.00 0.00 C
49
+ ATOM 48 CE LYS A 7 38.274 -8.461 25.487 1.00 0.00 C
50
+ ATOM 49 NZ LYS A 7 39.545 -8.594 24.715 1.00 0.00 N
51
+ ATOM 50 N PHE A 8 32.261 -8.388 24.857 1.00 0.00 N
52
+ ATOM 51 CA PHE A 8 31.588 -7.101 24.720 1.00 0.00 C
53
+ ATOM 52 C PHE A 8 30.575 -6.900 25.840 1.00 0.00 C
54
+ ATOM 53 CB PHE A 8 30.893 -7.000 23.359 1.00 0.00 C
55
+ ATOM 54 O PHE A 8 30.549 -5.844 26.477 1.00 0.00 O
56
+ ATOM 55 CG PHE A 8 30.092 -5.738 23.179 1.00 0.00 C
57
+ ATOM 56 CD1 PHE A 8 30.661 -4.617 22.585 1.00 0.00 C
58
+ ATOM 57 CD2 PHE A 8 28.772 -5.672 23.603 1.00 0.00 C
59
+ ATOM 58 CE1 PHE A 8 29.922 -3.447 22.418 1.00 0.00 C
60
+ ATOM 59 CE2 PHE A 8 28.028 -4.507 23.439 1.00 0.00 C
61
+ ATOM 60 CZ PHE A 8 28.606 -3.395 22.847 1.00 0.00 C
62
+ ATOM 61 N GLU A 9 29.762 -7.879 26.083 1.00 0.00 N
63
+ ATOM 62 CA GLU A 9 28.719 -7.767 27.098 1.00 0.00 C
64
+ ATOM 63 C GLU A 9 29.320 -7.578 28.488 1.00 0.00 C
65
+ ATOM 64 CB GLU A 9 27.815 -9.002 27.079 1.00 0.00 C
66
+ ATOM 65 O GLU A 9 28.875 -6.717 29.251 1.00 0.00 O
67
+ ATOM 66 CG GLU A 9 26.960 -9.118 25.827 1.00 0.00 C
68
+ ATOM 67 CD GLU A 9 26.018 -10.313 25.851 1.00 0.00 C
69
+ ATOM 68 OE1 GLU A 9 25.657 -10.776 26.956 1.00 0.00 O
70
+ ATOM 69 OE2 GLU A 9 25.639 -10.787 24.758 1.00 0.00 O
71
+ ATOM 70 N ARG A 10 30.286 -8.385 28.782 1.00 0.00 N
72
+ ATOM 71 CA ARG A 10 30.938 -8.285 30.084 1.00 0.00 C
73
+ ATOM 72 C ARG A 10 31.567 -6.909 30.276 1.00 0.00 C
74
+ ATOM 73 CB ARG A 10 32.003 -9.373 30.238 1.00 0.00 C
75
+ ATOM 74 O ARG A 10 31.458 -6.315 31.351 1.00 0.00 O
76
+ ATOM 75 CG ARG A 10 32.807 -9.271 31.524 1.00 0.00 C
77
+ ATOM 76 CD ARG A 10 33.775 -10.435 31.679 1.00 0.00 C
78
+ ATOM 77 NE ARG A 10 34.694 -10.526 30.549 1.00 0.00 N
79
+ ATOM 78 NH1 ARG A 10 36.100 -8.850 31.293 1.00 0.00 N
80
+ ATOM 79 NH2 ARG A 10 36.546 -9.936 29.324 1.00 0.00 N
81
+ ATOM 80 CZ ARG A 10 35.778 -9.771 30.392 1.00 0.00 C
82
+ ATOM 81 N GLN A 11 32.170 -6.364 29.241 1.00 0.00 N
83
+ ATOM 82 CA GLN A 11 32.953 -5.138 29.363 1.00 0.00 C
84
+ ATOM 83 C GLN A 11 32.057 -3.905 29.291 1.00 0.00 C
85
+ ATOM 84 CB GLN A 11 34.024 -5.073 28.274 1.00 0.00 C
86
+ ATOM 85 O GLN A 11 32.383 -2.860 29.859 1.00 0.00 O
87
+ ATOM 86 CG GLN A 11 35.125 -6.113 28.431 1.00 0.00 C
88
+ ATOM 87 CD GLN A 11 36.262 -5.918 27.445 1.00 0.00 C
89
+ ATOM 88 NE2 GLN A 11 37.236 -6.821 27.477 1.00 0.00 N
90
+ ATOM 89 OE1 GLN A 11 36.264 -4.963 26.662 1.00 0.00 O
91
+ ATOM 90 N HIS A 12 30.820 -4.009 28.671 1.00 0.00 N
92
+ ATOM 91 CA HIS A 12 30.176 -2.741 28.341 1.00 0.00 C
93
+ ATOM 92 C HIS A 12 28.722 -2.725 28.801 1.00 0.00 C
94
+ ATOM 93 CB HIS A 12 30.253 -2.477 26.836 1.00 0.00 C
95
+ ATOM 94 O HIS A 12 28.108 -1.660 28.895 1.00 0.00 O
96
+ ATOM 95 CG HIS A 12 31.650 -2.313 26.326 1.00 0.00 C
97
+ ATOM 96 CD2 HIS A 12 32.439 -3.149 25.612 1.00 0.00 C
98
+ ATOM 97 ND1 HIS A 12 32.391 -1.172 26.544 1.00 0.00 N
99
+ ATOM 98 CE1 HIS A 12 33.581 -1.314 25.982 1.00 0.00 C
100
+ ATOM 99 NE2 HIS A 12 33.635 -2.505 25.410 1.00 0.00 N
101
+ ATOM 100 N MET A 13 28.112 -3.810 29.074 1.00 0.00 N
102
+ ATOM 101 CA MET A 13 26.683 -3.835 29.378 1.00 0.00 C
103
+ ATOM 102 C MET A 13 26.445 -3.760 30.882 1.00 0.00 C
104
+ ATOM 103 CB MET A 13 26.034 -5.097 28.808 1.00 0.00 C
105
+ ATOM 104 O MET A 13 27.054 -4.508 31.649 1.00 0.00 O
106
+ ATOM 105 CG MET A 13 26.166 -5.227 27.299 1.00 0.00 C
107
+ ATOM 106 SD MET A 13 25.425 -3.807 26.403 1.00 0.00 S
108
+ ATOM 107 CE MET A 13 23.692 -3.976 26.914 1.00 0.00 C
109
+ ATOM 108 N ASP A 14 25.639 -2.876 31.292 1.00 0.00 N
110
+ ATOM 109 CA ASP A 14 25.103 -2.795 32.648 1.00 0.00 C
111
+ ATOM 110 C ASP A 14 23.667 -2.275 32.640 1.00 0.00 C
112
+ ATOM 111 CB ASP A 14 25.983 -1.897 33.519 1.00 0.00 C
113
+ ATOM 112 O ASP A 14 23.434 -1.077 32.815 1.00 0.00 O
114
+ ATOM 113 CG ASP A 14 25.524 -1.842 34.967 1.00 0.00 C
115
+ ATOM 114 OD1 ASP A 14 24.832 -2.776 35.423 1.00 0.00 O
116
+ ATOM 115 OD2 ASP A 14 25.857 -0.853 35.655 1.00 0.00 O
117
+ ATOM 116 N SER A 15 22.691 -3.194 32.441 1.00 0.00 N
118
+ ATOM 117 CA SER A 15 21.292 -2.793 32.319 1.00 0.00 C
119
+ ATOM 118 C SER A 15 20.678 -2.504 33.683 1.00 0.00 C
120
+ ATOM 119 CB SER A 15 20.484 -3.879 31.606 1.00 0.00 C
121
+ ATOM 120 O SER A 15 19.548 -2.019 33.772 1.00 0.00 O
122
+ ATOM 121 OG SER A 15 20.723 -5.148 32.191 1.00 0.00 O
123
+ ATOM 122 N SER A 16 21.368 -2.660 34.695 1.00 0.00 N
124
+ ATOM 123 CA SER A 16 20.904 -2.361 36.045 1.00 0.00 C
125
+ ATOM 124 C SER A 16 21.242 -0.927 36.441 1.00 0.00 C
126
+ ATOM 125 CB SER A 16 21.518 -3.334 37.052 1.00 0.00 C
127
+ ATOM 126 O SER A 16 22.411 -0.537 36.442 1.00 0.00 O
128
+ ATOM 127 OG SER A 16 21.154 -2.983 38.377 1.00 0.00 O
129
+ ATOM 128 N THR A 17 20.358 0.108 36.100 1.00 0.00 N
130
+ ATOM 129 CA THR A 17 20.465 1.563 36.118 1.00 0.00 C
131
+ ATOM 130 C THR A 17 20.734 2.068 37.532 1.00 0.00 C
132
+ ATOM 131 CB THR A 17 19.187 2.224 35.569 1.00 0.00 C
133
+ ATOM 132 O THR A 17 21.127 3.222 37.721 1.00 0.00 O
134
+ ATOM 133 CG2 THR A 17 18.965 1.861 34.105 1.00 0.00 C
135
+ ATOM 134 OG1 THR A 17 18.060 1.782 36.336 1.00 0.00 O
136
+ ATOM 135 N SER A 18 20.324 1.440 38.556 1.00 0.00 N
137
+ ATOM 136 CA SER A 18 20.123 2.099 39.842 1.00 0.00 C
138
+ ATOM 137 C SER A 18 21.439 2.623 40.406 1.00 0.00 C
139
+ ATOM 138 CB SER A 18 19.478 1.140 40.842 1.00 0.00 C
140
+ ATOM 139 O SER A 18 21.467 3.660 41.073 1.00 0.00 O
141
+ ATOM 140 OG SER A 18 20.279 -0.016 41.020 1.00 0.00 O
142
+ ATOM 141 N ALA A 19 22.547 2.149 39.961 1.00 0.00 N
143
+ ATOM 142 CA ALA A 19 23.797 2.547 40.603 1.00 0.00 C
144
+ ATOM 143 C ALA A 19 24.578 3.521 39.726 1.00 0.00 C
145
+ ATOM 144 CB ALA A 19 24.648 1.319 40.917 1.00 0.00 C
146
+ ATOM 145 O ALA A 19 25.590 4.081 40.156 1.00 0.00 O
147
+ ATOM 146 N ALA A 20 24.096 3.866 38.627 1.00 0.00 N
148
+ ATOM 147 CA ALA A 20 24.883 4.719 37.742 1.00 0.00 C
149
+ ATOM 148 C ALA A 20 25.014 6.129 38.313 1.00 0.00 C
150
+ ATOM 149 CB ALA A 20 24.256 4.768 36.351 1.00 0.00 C
151
+ ATOM 150 O ALA A 20 25.929 6.871 37.947 1.00 0.00 O
152
+ ATOM 151 N SER A 21 24.232 6.438 39.376 1.00 0.00 N
153
+ ATOM 152 CA SER A 21 24.282 7.800 39.898 1.00 0.00 C
154
+ ATOM 153 C SER A 21 25.363 7.944 40.964 1.00 0.00 C
155
+ ATOM 154 CB SER A 21 22.925 8.202 40.478 1.00 0.00 C
156
+ ATOM 155 O SER A 21 25.644 9.052 41.425 1.00 0.00 O
157
+ ATOM 156 OG SER A 21 22.492 7.260 41.444 1.00 0.00 O
158
+ ATOM 157 N SER A 22 25.936 6.841 41.221 1.00 0.00 N
159
+ ATOM 158 CA SER A 22 26.964 6.946 42.251 1.00 0.00 C
160
+ ATOM 159 C SER A 22 28.291 7.414 41.662 1.00 0.00 C
161
+ ATOM 160 CB SER A 22 27.156 5.601 42.955 1.00 0.00 C
162
+ ATOM 161 O SER A 22 28.688 6.971 40.582 1.00 0.00 O
163
+ ATOM 162 OG SER A 22 28.320 5.619 43.764 1.00 0.00 O
164
+ ATOM 163 N SER A 23 28.964 8.346 42.328 1.00 0.00 N
165
+ ATOM 164 CA SER A 23 30.279 8.834 41.928 1.00 0.00 C
166
+ ATOM 165 C SER A 23 31.313 7.712 41.943 1.00 0.00 C
167
+ ATOM 166 CB SER A 23 30.733 9.970 42.847 1.00 0.00 C
168
+ ATOM 167 O SER A 23 32.342 7.800 41.271 1.00 0.00 O
169
+ ATOM 168 OG SER A 23 30.773 9.540 44.197 1.00 0.00 O
170
+ ATOM 169 N ASN A 24 30.961 6.647 42.654 1.00 0.00 N
171
+ ATOM 170 CA ASN A 24 31.887 5.527 42.782 1.00 0.00 C
172
+ ATOM 171 C ASN A 24 31.579 4.426 41.770 1.00 0.00 C
173
+ ATOM 172 CB ASN A 24 31.857 4.965 44.204 1.00 0.00 C
174
+ ATOM 173 O ASN A 24 32.136 3.330 41.851 1.00 0.00 O
175
+ ATOM 174 CG ASN A 24 33.099 4.164 44.542 1.00 0.00 C
176
+ ATOM 175 ND2 ASN A 24 32.943 3.159 45.396 1.00 0.00 N
177
+ ATOM 176 OD1 ASN A 24 34.190 4.446 44.040 1.00 0.00 O
178
+ ATOM 177 N TYR A 25 30.587 4.604 40.939 1.00 0.00 N
179
+ ATOM 178 CA TYR A 25 30.115 3.604 39.987 1.00 0.00 C
180
+ ATOM 179 C TYR A 25 31.278 3.009 39.202 1.00 0.00 C
181
+ ATOM 180 CB TYR A 25 29.095 4.219 39.024 1.00 0.00 C
182
+ ATOM 181 O TYR A 25 31.439 1.788 39.151 1.00 0.00 O
183
+ ATOM 182 CG TYR A 25 28.731 3.318 37.869 1.00 0.00 C
184
+ ATOM 183 CD1 TYR A 25 29.392 3.419 36.646 1.00 0.00 C
185
+ ATOM 184 CD2 TYR A 25 27.728 2.363 37.997 1.00 0.00 C
186
+ ATOM 185 CE1 TYR A 25 29.059 2.592 35.578 1.00 0.00 C
187
+ ATOM 186 CE2 TYR A 25 27.387 1.531 36.936 1.00 0.00 C
188
+ ATOM 187 OH TYR A 25 27.725 0.831 34.679 1.00 0.00 O
189
+ ATOM 188 CZ TYR A 25 28.058 1.653 35.732 1.00 0.00 C
190
+ ATOM 189 N CYS A 26 32.045 3.902 38.609 1.00 0.00 N
191
+ ATOM 190 CA CYS A 26 33.114 3.430 37.736 1.00 0.00 C
192
+ ATOM 191 C CYS A 26 34.133 2.609 38.517 1.00 0.00 C
193
+ ATOM 192 CB CYS A 26 33.808 4.608 37.054 1.00 0.00 C
194
+ ATOM 193 O CYS A 26 34.561 1.547 38.061 1.00 0.00 O
195
+ ATOM 194 SG CYS A 26 32.879 5.300 35.669 1.00 0.00 S
196
+ ATOM 195 N ASN A 27 34.548 3.082 39.717 1.00 0.00 N
197
+ ATOM 196 CA ASN A 27 35.515 2.324 40.502 1.00 0.00 C
198
+ ATOM 197 C ASN A 27 35.000 0.925 40.827 1.00 0.00 C
199
+ ATOM 198 CB ASN A 27 35.867 3.072 41.790 1.00 0.00 C
200
+ ATOM 199 O ASN A 27 35.746 -0.052 40.741 1.00 0.00 O
201
+ ATOM 200 CG ASN A 27 36.671 4.331 41.534 1.00 0.00 C
202
+ ATOM 201 ND2 ASN A 27 36.503 5.328 42.394 1.00 0.00 N
203
+ ATOM 202 OD1 ASN A 27 37.436 4.408 40.568 1.00 0.00 O
204
+ ATOM 203 N GLN A 28 33.754 0.816 41.144 1.00 0.00 N
205
+ ATOM 204 CA GLN A 28 33.145 -0.462 41.501 1.00 0.00 C
206
+ ATOM 205 C GLN A 28 32.997 -1.362 40.277 1.00 0.00 C
207
+ ATOM 206 CB GLN A 28 31.782 -0.243 42.159 1.00 0.00 C
208
+ ATOM 207 O GLN A 28 33.370 -2.536 40.315 1.00 0.00 O
209
+ ATOM 208 CG GLN A 28 31.861 0.391 43.541 1.00 0.00 C
210
+ ATOM 209 CD GLN A 28 30.495 0.616 44.163 1.00 0.00 C
211
+ ATOM 210 NE2 GLN A 28 30.470 1.275 45.316 1.00 0.00 N
212
+ ATOM 211 OE1 GLN A 28 29.471 0.203 43.610 1.00 0.00 O
213
+ ATOM 212 N MET A 29 32.524 -0.775 39.209 1.00 0.00 N
214
+ ATOM 213 CA MET A 29 32.197 -1.593 38.043 1.00 0.00 C
215
+ ATOM 214 C MET A 29 33.465 -2.052 37.330 1.00 0.00 C
216
+ ATOM 215 CB MET A 29 31.304 -0.816 37.074 1.00 0.00 C
217
+ ATOM 216 O MET A 29 33.547 -3.195 36.876 1.00 0.00 O
218
+ ATOM 217 CG MET A 29 29.865 -0.679 37.544 1.00 0.00 C
219
+ ATOM 218 SD MET A 29 29.010 -2.297 37.676 1.00 0.00 S
220
+ ATOM 219 CE MET A 29 28.735 -2.656 35.919 1.00 0.00 C
221
+ ATOM 220 N MET A 30 34.493 -1.113 37.202 1.00 0.00 N
222
+ ATOM 221 CA MET A 30 35.746 -1.507 36.566 1.00 0.00 C
223
+ ATOM 222 C MET A 30 36.374 -2.693 37.289 1.00 0.00 C
224
+ ATOM 223 CB MET A 30 36.727 -0.333 36.536 1.00 0.00 C
225
+ ATOM 224 O MET A 30 36.846 -3.636 36.650 1.00 0.00 O
226
+ ATOM 225 CG MET A 30 36.219 0.871 35.759 1.00 0.00 C
227
+ ATOM 226 SD MET A 30 36.156 0.565 33.951 1.00 0.00 S
228
+ ATOM 227 CE MET A 30 37.914 0.740 33.535 1.00 0.00 C
229
+ ATOM 228 N LYS A 31 36.295 -2.716 38.570 1.00 0.00 N
230
+ ATOM 229 CA LYS A 31 36.853 -3.795 39.380 1.00 0.00 C
231
+ ATOM 230 C LYS A 31 35.993 -5.052 39.291 1.00 0.00 C
232
+ ATOM 231 CB LYS A 31 36.990 -3.355 40.838 1.00 0.00 C
233
+ ATOM 232 O LYS A 31 36.506 -6.146 39.051 1.00 0.00 O
234
+ ATOM 233 CG LYS A 31 37.710 -4.362 41.723 1.00 0.00 C
235
+ ATOM 234 CD LYS A 31 37.909 -3.824 43.135 1.00 0.00 C
236
+ ATOM 235 CE LYS A 31 38.631 -4.831 44.020 1.00 0.00 C
237
+ ATOM 236 NZ LYS A 31 38.855 -4.296 45.397 1.00 0.00 N
238
+ ATOM 237 N SER A 32 34.672 -4.962 39.441 1.00 0.00 N
239
+ ATOM 238 CA SER A 32 33.780 -6.115 39.486 1.00 0.00 C
240
+ ATOM 239 C SER A 32 33.754 -6.845 38.147 1.00 0.00 C
241
+ ATOM 240 CB SER A 32 32.364 -5.685 39.868 1.00 0.00 C
242
+ ATOM 241 O SER A 32 33.530 -8.056 38.098 1.00 0.00 O
243
+ ATOM 242 OG SER A 32 31.740 -4.997 38.797 1.00 0.00 O
244
+ ATOM 243 N ARG A 33 34.050 -6.093 37.068 1.00 0.00 N
245
+ ATOM 244 CA ARG A 33 34.036 -6.706 35.744 1.00 0.00 C
246
+ ATOM 245 C ARG A 33 35.439 -7.125 35.319 1.00 0.00 C
247
+ ATOM 246 CB ARG A 33 33.441 -5.745 34.713 1.00 0.00 C
248
+ ATOM 247 O ARG A 33 35.666 -7.463 34.157 1.00 0.00 O
249
+ ATOM 248 CG ARG A 33 32.001 -5.348 34.998 1.00 0.00 C
250
+ ATOM 249 CD ARG A 33 31.050 -6.527 34.844 1.00 0.00 C
251
+ ATOM 250 NE ARG A 33 29.661 -6.129 35.042 1.00 0.00 N
252
+ ATOM 251 NH1 ARG A 33 28.982 -6.680 32.903 1.00 0.00 N
253
+ ATOM 252 NH2 ARG A 33 27.477 -5.819 34.402 1.00 0.00 N
254
+ ATOM 253 CZ ARG A 33 28.709 -6.210 34.115 1.00 0.00 C
255
+ ATOM 254 N ASN A 34 36.353 -7.099 36.270 1.00 0.00 N
256
+ ATOM 255 CA ASN A 34 37.726 -7.550 36.068 1.00 0.00 C
257
+ ATOM 256 C ASN A 34 38.403 -6.792 34.930 1.00 0.00 C
258
+ ATOM 257 CB ASN A 34 37.761 -9.056 35.798 1.00 0.00 C
259
+ ATOM 258 O ASN A 34 39.167 -7.375 34.158 1.00 0.00 O
260
+ ATOM 259 CG ASN A 34 37.468 -9.878 37.037 1.00 0.00 C
261
+ ATOM 260 ND2 ASN A 34 36.675 -10.931 36.877 1.00 0.00 N
262
+ ATOM 261 OD1 ASN A 34 37.949 -9.569 38.130 1.00 0.00 O
263
+ ATOM 262 N LEU A 35 38.150 -5.510 34.811 1.00 0.00 N
264
+ ATOM 263 CA LEU A 35 38.754 -4.686 33.770 1.00 0.00 C
265
+ ATOM 264 C LEU A 35 40.050 -4.051 34.262 1.00 0.00 C
266
+ ATOM 265 CB LEU A 35 37.779 -3.597 33.315 1.00 0.00 C
267
+ ATOM 266 O LEU A 35 40.750 -3.385 33.497 1.00 0.00 O
268
+ ATOM 267 CG LEU A 35 36.448 -4.077 32.734 1.00 0.00 C
269
+ ATOM 268 CD1 LEU A 35 35.576 -2.886 32.352 1.00 0.00 C
270
+ ATOM 269 CD2 LEU A 35 36.685 -4.982 31.529 1.00 0.00 C
271
+ ATOM 270 N THR A 36 40.373 -4.304 35.520 1.00 0.00 N
272
+ ATOM 271 CA THR A 36 41.579 -3.751 36.128 1.00 0.00 C
273
+ ATOM 272 C THR A 36 42.459 -4.864 36.691 1.00 0.00 C
274
+ ATOM 273 CB THR A 36 41.233 -2.752 37.247 1.00 0.00 C
275
+ ATOM 274 O THR A 36 43.243 -4.636 37.614 1.00 0.00 O
276
+ ATOM 275 CG2 THR A 36 40.434 -1.572 36.704 1.00 0.00 C
277
+ ATOM 276 OG1 THR A 36 40.456 -3.418 38.251 1.00 0.00 O
278
+ ATOM 277 N LYS A 37 42.247 -6.116 36.268 1.00 0.00 N
279
+ ATOM 278 CA LYS A 37 42.960 -7.273 36.802 1.00 0.00 C
280
+ ATOM 279 C LYS A 37 44.465 -7.139 36.585 1.00 0.00 C
281
+ ATOM 280 CB LYS A 37 42.450 -8.563 36.158 1.00 0.00 C
282
+ ATOM 281 O LYS A 37 45.255 -7.427 37.487 1.00 0.00 O
283
+ ATOM 282 CG LYS A 37 43.062 -9.830 36.738 1.00 0.00 C
284
+ ATOM 283 CD LYS A 37 42.503 -11.078 36.069 1.00 0.00 C
285
+ ATOM 284 CE LYS A 37 43.197 -12.339 36.566 1.00 0.00 C
286
+ ATOM 285 NZ LYS A 37 42.659 -13.566 35.907 1.00 0.00 N
287
+ ATOM 286 N ASP A 38 44.996 -6.654 35.513 1.00 0.00 N
288
+ ATOM 287 CA ASP A 38 46.419 -6.618 35.187 1.00 0.00 C
289
+ ATOM 288 C ASP A 38 46.940 -5.183 35.160 1.00 0.00 C
290
+ ATOM 289 CB ASP A 38 46.678 -7.297 33.840 1.00 0.00 C
291
+ ATOM 290 O ASP A 38 48.101 -4.932 35.491 1.00 0.00 O
292
+ ATOM 291 CG ASP A 38 46.387 -8.787 33.861 1.00 0.00 C
293
+ ATOM 292 OD1 ASP A 38 46.783 -9.472 34.829 1.00 0.00 O
294
+ ATOM 293 OD2 ASP A 38 45.758 -9.281 32.900 1.00 0.00 O
295
+ ATOM 294 N ARG A 39 46.223 -4.256 34.805 1.00 0.00 N
296
+ ATOM 295 CA ARG A 39 46.534 -2.834 34.702 1.00 0.00 C
297
+ ATOM 296 C ARG A 39 45.270 -1.989 34.818 1.00 0.00 C
298
+ ATOM 297 CB ARG A 39 47.246 -2.534 33.381 1.00 0.00 C
299
+ ATOM 298 O ARG A 39 44.157 -2.508 34.716 1.00 0.00 O
300
+ ATOM 299 CG ARG A 39 46.387 -2.775 32.150 1.00 0.00 C
301
+ ATOM 300 CD ARG A 39 47.153 -2.492 30.864 1.00 0.00 C
302
+ ATOM 301 NE ARG A 39 46.324 -2.714 29.684 1.00 0.00 N
303
+ ATOM 302 NH1 ARG A 39 47.719 -1.576 28.236 1.00 0.00 N
304
+ ATOM 303 NH2 ARG A 39 45.786 -2.531 27.458 1.00 0.00 N
305
+ ATOM 304 CZ ARG A 39 46.611 -2.273 28.462 1.00 0.00 C
306
+ ATOM 305 N CYS A 40 45.477 -0.793 35.074 1.00 0.00 N
307
+ ATOM 306 CA CYS A 40 44.337 0.116 35.037 1.00 0.00 C
308
+ ATOM 307 C CYS A 40 43.911 0.400 33.603 1.00 0.00 C
309
+ ATOM 308 CB CYS A 40 44.674 1.426 35.748 1.00 0.00 C
310
+ ATOM 309 O CYS A 40 44.689 0.943 32.816 1.00 0.00 O
311
+ ATOM 310 SG CYS A 40 45.123 1.218 37.485 1.00 0.00 S
312
+ ATOM 311 N LYS A 41 42.709 -0.063 33.204 1.00 0.00 N
313
+ ATOM 312 CA LYS A 41 42.176 0.266 31.885 1.00 0.00 C
314
+ ATOM 313 C LYS A 41 41.874 1.758 31.772 1.00 0.00 C
315
+ ATOM 314 CB LYS A 41 40.914 -0.548 31.597 1.00 0.00 C
316
+ ATOM 315 O LYS A 41 41.089 2.298 32.554 1.00 0.00 O
317
+ ATOM 316 CG LYS A 41 40.373 -0.373 30.186 1.00 0.00 C
318
+ ATOM 317 CD LYS A 41 39.239 -1.348 29.896 1.00 0.00 C
319
+ ATOM 318 CE LYS A 41 38.676 -1.154 28.495 1.00 0.00 C
320
+ ATOM 319 NZ LYS A 41 37.645 -2.181 28.164 1.00 0.00 N
321
+ ATOM 320 N PRO A 42 42.440 2.435 30.832 1.00 0.00 N
322
+ ATOM 321 CA PRO A 42 42.344 3.897 30.813 1.00 0.00 C
323
+ ATOM 322 C PRO A 42 40.912 4.393 30.623 1.00 0.00 C
324
+ ATOM 323 CB PRO A 42 43.221 4.292 29.622 1.00 0.00 C
325
+ ATOM 324 O PRO A 42 40.525 5.409 31.206 1.00 0.00 O
326
+ ATOM 325 CG PRO A 42 44.225 3.191 29.504 1.00 0.00 C
327
+ ATOM 326 CD PRO A 42 43.578 1.908 29.943 1.00 0.00 C
328
+ ATOM 327 N VAL A 43 40.134 3.695 29.810 1.00 0.00 N
329
+ ATOM 328 CA VAL A 43 38.778 4.154 29.530 1.00 0.00 C
330
+ ATOM 329 C VAL A 43 37.870 2.955 29.270 1.00 0.00 C
331
+ ATOM 330 CB VAL A 43 38.743 5.121 28.324 1.00 0.00 C
332
+ ATOM 331 O VAL A 43 38.302 1.954 28.693 1.00 0.00 O
333
+ ATOM 332 CG1 VAL A 43 37.307 5.526 27.998 1.00 0.00 C
334
+ ATOM 333 CG2 VAL A 43 39.600 6.354 28.605 1.00 0.00 C
335
+ ATOM 334 N ASN A 44 36.643 3.075 29.699 1.00 0.00 N
336
+ ATOM 335 CA ASN A 44 35.572 2.138 29.378 1.00 0.00 C
337
+ ATOM 336 C ASN A 44 34.207 2.820 29.388 1.00 0.00 C
338
+ ATOM 337 CB ASN A 44 35.582 0.957 30.352 1.00 0.00 C
339
+ ATOM 338 O ASN A 44 34.025 3.843 30.052 1.00 0.00 O
340
+ ATOM 339 CG ASN A 44 34.766 -0.219 29.852 1.00 0.00 C
341
+ ATOM 340 ND2 ASN A 44 33.551 -0.360 30.370 1.00 0.00 N
342
+ ATOM 341 OD1 ASN A 44 35.225 -0.995 29.010 1.00 0.00 O
343
+ ATOM 342 N THR A 45 33.309 2.302 28.625 1.00 0.00 N
344
+ ATOM 343 CA THR A 45 31.935 2.794 28.593 1.00 0.00 C
345
+ ATOM 344 C THR A 45 30.954 1.680 28.945 1.00 0.00 C
346
+ ATOM 345 CB THR A 45 31.582 3.375 27.212 1.00 0.00 C
347
+ ATOM 346 O THR A 45 31.024 0.584 28.386 1.00 0.00 O
348
+ ATOM 347 CG2 THR A 45 30.156 3.916 27.190 1.00 0.00 C
349
+ ATOM 348 OG1 THR A 45 32.489 4.440 26.901 1.00 0.00 O
350
+ ATOM 349 N PHE A 46 30.064 1.930 29.861 1.00 0.00 N
351
+ ATOM 350 CA PHE A 46 28.973 1.013 30.176 1.00 0.00 C
352
+ ATOM 351 C PHE A 46 27.656 1.524 29.606 1.00 0.00 C
353
+ ATOM 352 CB PHE A 46 28.851 0.821 31.690 1.00 0.00 C
354
+ ATOM 353 O PHE A 46 27.304 2.690 29.790 1.00 0.00 O
355
+ ATOM 354 CG PHE A 46 30.028 0.114 32.309 1.00 0.00 C
356
+ ATOM 355 CD1 PHE A 46 30.167 -1.264 32.196 1.00 0.00 C
357
+ ATOM 356 CD2 PHE A 46 30.994 0.829 33.004 1.00 0.00 C
358
+ ATOM 357 CE1 PHE A 46 31.255 -1.920 32.768 1.00 0.00 C
359
+ ATOM 358 CE2 PHE A 46 32.084 0.181 33.578 1.00 0.00 C
360
+ ATOM 359 CZ PHE A 46 32.212 -1.194 33.459 1.00 0.00 C
361
+ ATOM 360 N VAL A 47 26.991 0.649 28.878 1.00 0.00 N
362
+ ATOM 361 CA VAL A 47 25.692 0.966 28.293 1.00 0.00 C
363
+ ATOM 362 C VAL A 47 24.577 0.437 29.193 1.00 0.00 C
364
+ ATOM 363 CB VAL A 47 25.552 0.379 26.871 1.00 0.00 C
365
+ ATOM 364 O VAL A 47 24.583 -0.735 29.576 1.00 0.00 O
366
+ ATOM 365 CG1 VAL A 47 24.233 0.813 26.235 1.00 0.00 C
367
+ ATOM 366 CG2 VAL A 47 26.733 0.804 26.001 1.00 0.00 C
368
+ ATOM 367 N HIS A 48 23.598 1.246 29.505 1.00 0.00 N
369
+ ATOM 368 CA HIS A 48 22.604 0.909 30.516 1.00 0.00 C
370
+ ATOM 369 C HIS A 48 21.296 0.459 29.876 1.00 0.00 C
371
+ ATOM 370 CB HIS A 48 22.353 2.102 31.440 1.00 0.00 C
372
+ ATOM 371 O HIS A 48 20.315 0.195 30.576 1.00 0.00 O
373
+ ATOM 372 CG HIS A 48 23.567 2.540 32.197 1.00 0.00 C
374
+ ATOM 373 CD2 HIS A 48 24.219 3.726 32.221 1.00 0.00 C
375
+ ATOM 374 ND1 HIS A 48 24.250 1.706 33.056 1.00 0.00 N
376
+ ATOM 375 CE1 HIS A 48 25.273 2.362 33.577 1.00 0.00 C
377
+ ATOM 376 NE2 HIS A 48 25.277 3.590 33.087 1.00 0.00 N
378
+ ATOM 377 N GLU A 49 21.313 0.289 28.578 1.00 0.00 N
379
+ ATOM 378 CA GLU A 49 20.172 -0.236 27.834 1.00 0.00 C
380
+ ATOM 379 C GLU A 49 20.149 -1.762 27.864 1.00 0.00 C
381
+ ATOM 380 CB GLU A 49 20.199 0.261 26.387 1.00 0.00 C
382
+ ATOM 381 O GLU A 49 21.119 -2.394 28.285 1.00 0.00 O
383
+ ATOM 382 CG GLU A 49 20.248 1.776 26.257 1.00 0.00 C
384
+ ATOM 383 CD GLU A 49 19.025 2.468 26.840 1.00 0.00 C
385
+ ATOM 384 OE1 GLU A 49 17.943 1.840 26.900 1.00 0.00 O
386
+ ATOM 385 OE2 GLU A 49 19.150 3.647 27.239 1.00 0.00 O
387
+ ATOM 386 N SER A 50 19.027 -2.294 27.472 1.00 0.00 N
388
+ ATOM 387 CA SER A 50 18.951 -3.748 27.383 1.00 0.00 C
389
+ ATOM 388 C SER A 50 19.892 -4.286 26.309 1.00 0.00 C
390
+ ATOM 389 CB SER A 50 17.520 -4.195 27.087 1.00 0.00 C
391
+ ATOM 390 O SER A 50 20.217 -3.580 25.351 1.00 0.00 O
392
+ ATOM 391 OG SER A 50 17.159 -3.879 25.753 1.00 0.00 O
393
+ ATOM 392 N LEU A 51 20.348 -5.461 26.515 1.00 0.00 N
394
+ ATOM 393 CA LEU A 51 21.202 -6.110 25.526 1.00 0.00 C
395
+ ATOM 394 C LEU A 51 20.512 -6.171 24.168 1.00 0.00 C
396
+ ATOM 395 CB LEU A 51 21.577 -7.521 25.986 1.00 0.00 C
397
+ ATOM 396 O LEU A 51 21.150 -5.966 23.132 1.00 0.00 O
398
+ ATOM 397 CG LEU A 51 22.434 -8.343 25.022 1.00 0.00 C
399
+ ATOM 398 CD1 LEU A 51 23.732 -7.606 24.707 1.00 0.00 C
400
+ ATOM 399 CD2 LEU A 51 22.725 -9.721 25.606 1.00 0.00 C
401
+ ATOM 400 N ALA A 52 19.214 -6.453 24.167 1.00 0.00 N
402
+ ATOM 401 CA ALA A 52 18.453 -6.515 22.922 1.00 0.00 C
403
+ ATOM 402 C ALA A 52 18.510 -5.186 22.177 1.00 0.00 C
404
+ ATOM 403 CB ALA A 52 17.003 -6.902 23.205 1.00 0.00 C
405
+ ATOM 404 O ALA A 52 18.665 -5.158 20.954 1.00 0.00 O
406
+ ATOM 405 N ASP A 53 18.394 -4.079 22.893 1.00 0.00 N
407
+ ATOM 406 CA ASP A 53 18.454 -2.757 22.278 1.00 0.00 C
408
+ ATOM 407 C ASP A 53 19.837 -2.487 21.691 1.00 0.00 C
409
+ ATOM 408 CB ASP A 53 18.095 -1.674 23.297 1.00 0.00 C
410
+ ATOM 409 O ASP A 53 19.956 -1.920 20.603 1.00 0.00 O
411
+ ATOM 410 CG ASP A 53 16.619 -1.664 23.657 1.00 0.00 C
412
+ ATOM 411 OD1 ASP A 53 15.790 -2.126 22.844 1.00 0.00 O
413
+ ATOM 412 OD2 ASP A 53 16.283 -1.189 24.763 1.00 0.00 O
414
+ ATOM 413 N VAL A 54 20.871 -2.918 22.386 1.00 0.00 N
415
+ ATOM 414 CA VAL A 54 22.230 -2.683 21.908 1.00 0.00 C
416
+ ATOM 415 C VAL A 54 22.518 -3.584 20.709 1.00 0.00 C
417
+ ATOM 416 CB VAL A 54 23.273 -2.929 23.021 1.00 0.00 C
418
+ ATOM 417 O VAL A 54 23.152 -3.156 19.741 1.00 0.00 O
419
+ ATOM 418 CG1 VAL A 54 24.692 -2.830 22.463 1.00 0.00 C
420
+ ATOM 419 CG2 VAL A 54 23.075 -1.937 24.166 1.00 0.00 C
421
+ ATOM 420 N GLN A 55 22.015 -4.790 20.695 1.00 0.00 N
422
+ ATOM 421 CA GLN A 55 22.191 -5.684 19.556 1.00 0.00 C
423
+ ATOM 422 C GLN A 55 21.471 -5.152 18.320 1.00 0.00 C
424
+ ATOM 423 CB GLN A 55 21.686 -7.089 19.893 1.00 0.00 C
425
+ ATOM 424 O GLN A 55 21.937 -5.338 17.195 1.00 0.00 O
426
+ ATOM 425 CG GLN A 55 22.605 -7.864 20.827 1.00 0.00 C
427
+ ATOM 426 CD GLN A 55 22.027 -9.206 21.237 1.00 0.00 C
428
+ ATOM 427 NE2 GLN A 55 22.899 -10.137 21.613 1.00 0.00 N
429
+ ATOM 428 OE1 GLN A 55 20.809 -9.405 21.216 1.00 0.00 O
430
+ ATOM 429 N ALA A 56 20.366 -4.497 18.576 1.00 0.00 N
431
+ ATOM 430 CA ALA A 56 19.581 -3.952 17.473 1.00 0.00 C
432
+ ATOM 431 C ALA A 56 20.353 -2.861 16.737 1.00 0.00 C
433
+ ATOM 432 CB ALA A 56 18.250 -3.405 17.985 1.00 0.00 C
434
+ ATOM 433 O ALA A 56 20.021 -2.514 15.601 1.00 0.00 O
435
+ ATOM 434 N VAL A 57 21.399 -2.261 17.358 1.00 0.00 N
436
+ ATOM 435 CA VAL A 57 22.199 -1.208 16.742 1.00 0.00 C
437
+ ATOM 436 C VAL A 57 22.884 -1.746 15.487 1.00 0.00 C
438
+ ATOM 437 CB VAL A 57 23.251 -0.646 17.724 1.00 0.00 C
439
+ ATOM 438 O VAL A 57 23.126 -0.999 14.535 1.00 0.00 O
440
+ ATOM 439 CG1 VAL A 57 24.177 0.342 17.016 1.00 0.00 C
441
+ ATOM 440 CG2 VAL A 57 22.565 0.019 18.916 1.00 0.00 C
442
+ ATOM 441 N CYS A 58 23.150 -3.043 15.422 1.00 0.00 N
443
+ ATOM 442 CA CYS A 58 23.882 -3.680 14.332 1.00 0.00 C
444
+ ATOM 443 C CYS A 58 23.081 -3.631 13.037 1.00 0.00 C
445
+ ATOM 444 CB CYS A 58 24.214 -5.129 14.684 1.00 0.00 C
446
+ ATOM 445 O CYS A 58 23.607 -3.938 11.965 1.00 0.00 O
447
+ ATOM 446 SG CYS A 58 25.530 -5.299 15.909 1.00 0.00 S
448
+ ATOM 447 N SER A 59 21.870 -3.244 13.038 1.00 0.00 N
449
+ ATOM 448 CA SER A 59 21.051 -3.116 11.837 1.00 0.00 C
450
+ ATOM 449 C SER A 59 20.637 -1.667 11.603 1.00 0.00 C
451
+ ATOM 450 CB SER A 59 19.807 -4.000 11.940 1.00 0.00 C
452
+ ATOM 451 O SER A 59 19.667 -1.401 10.890 1.00 0.00 O
453
+ ATOM 452 OG SER A 59 20.168 -5.350 12.175 1.00 0.00 O
454
+ ATOM 453 N GLN A 60 21.325 -0.749 12.231 1.00 0.00 N
455
+ ATOM 454 CA GLN A 60 20.949 0.654 12.101 1.00 0.00 C
456
+ ATOM 455 C GLN A 60 21.878 1.385 11.135 1.00 0.00 C
457
+ ATOM 456 CB GLN A 60 20.963 1.345 13.466 1.00 0.00 C
458
+ ATOM 457 O GLN A 60 22.093 0.931 10.010 1.00 0.00 O
459
+ ATOM 458 CG GLN A 60 19.933 0.794 14.443 1.00 0.00 C
460
+ ATOM 459 CD GLN A 60 19.899 1.560 15.753 1.00 0.00 C
461
+ ATOM 460 NE2 GLN A 60 19.303 0.958 16.776 1.00 0.00 N
462
+ ATOM 461 OE1 GLN A 60 20.407 2.683 15.845 1.00 0.00 O
463
+ ATOM 462 N LYS A 61 22.404 2.600 11.546 1.00 0.00 N
464
+ ATOM 463 CA LYS A 61 23.194 3.416 10.630 1.00 0.00 C
465
+ ATOM 464 C LYS A 61 24.623 2.891 10.519 1.00 0.00 C
466
+ ATOM 465 CB LYS A 61 23.207 4.877 11.085 1.00 0.00 C
467
+ ATOM 466 O LYS A 61 25.388 2.951 11.484 1.00 0.00 O
468
+ ATOM 467 CG LYS A 61 23.943 5.813 10.138 1.00 0.00 C
469
+ ATOM 468 CD LYS A 61 23.972 7.239 10.675 1.00 0.00 C
470
+ ATOM 469 CE LYS A 61 24.800 8.155 9.784 1.00 0.00 C
471
+ ATOM 470 NZ LYS A 61 24.888 9.538 10.341 1.00 0.00 N
472
+ ATOM 471 N ASN A 62 24.953 2.405 9.328 1.00 0.00 N
473
+ ATOM 472 CA ASN A 62 26.319 1.959 9.070 1.00 0.00 C
474
+ ATOM 473 C ASN A 62 27.283 3.138 8.969 1.00 0.00 C
475
+ ATOM 474 CB ASN A 62 26.376 1.117 7.794 1.00 0.00 C
476
+ ATOM 475 O ASN A 62 27.027 4.093 8.234 1.00 0.00 O
477
+ ATOM 476 CG ASN A 62 27.745 0.513 7.554 1.00 0.00 C
478
+ ATOM 477 ND2 ASN A 62 28.165 -0.377 8.445 1.00 0.00 N
479
+ ATOM 478 OD1 ASN A 62 28.421 0.844 6.576 1.00 0.00 O
480
+ ATOM 479 N VAL A 63 28.446 3.100 9.720 1.00 0.00 N
481
+ ATOM 480 CA VAL A 63 29.456 4.152 9.747 1.00 0.00 C
482
+ ATOM 481 C VAL A 63 30.850 3.530 9.720 1.00 0.00 C
483
+ ATOM 482 CB VAL A 63 29.301 5.058 10.989 1.00 0.00 C
484
+ ATOM 483 O VAL A 63 31.012 2.339 9.999 1.00 0.00 O
485
+ ATOM 484 CG1 VAL A 63 27.941 5.754 10.982 1.00 0.00 C
486
+ ATOM 485 CG2 VAL A 63 29.482 4.243 12.268 1.00 0.00 C
487
+ ATOM 486 N ALA A 64 31.844 4.335 9.361 1.00 0.00 N
488
+ ATOM 487 CA ALA A 64 33.228 3.869 9.402 1.00 0.00 C
489
+ ATOM 488 C ALA A 64 33.736 3.784 10.839 1.00 0.00 C
490
+ ATOM 489 CB ALA A 64 34.124 4.790 8.578 1.00 0.00 C
491
+ ATOM 490 O ALA A 64 33.516 4.698 11.637 1.00 0.00 O
492
+ ATOM 491 N CYS A 65 34.360 2.616 11.139 1.00 0.00 N
493
+ ATOM 492 CA CYS A 65 34.990 2.477 12.448 1.00 0.00 C
494
+ ATOM 493 C CYS A 65 36.185 3.412 12.581 1.00 0.00 C
495
+ ATOM 494 CB CYS A 65 35.433 1.032 12.679 1.00 0.00 C
496
+ ATOM 495 O CYS A 65 36.724 3.884 11.579 1.00 0.00 O
497
+ ATOM 496 SG CYS A 65 34.135 -0.185 12.372 1.00 0.00 S
498
+ ATOM 497 N LYS A 66 36.653 3.720 13.863 1.00 0.00 N
499
+ ATOM 498 CA LYS A 66 37.821 4.561 14.110 1.00 0.00 C
500
+ ATOM 499 C LYS A 66 39.055 4.009 13.404 1.00 0.00 C
501
+ ATOM 500 CB LYS A 66 38.087 4.681 15.612 1.00 0.00 C
502
+ ATOM 501 O LYS A 66 39.920 4.772 12.968 1.00 0.00 O
503
+ ATOM 502 CG LYS A 66 37.136 5.623 16.336 1.00 0.00 C
504
+ ATOM 503 CD LYS A 66 37.506 5.770 17.805 1.00 0.00 C
505
+ ATOM 504 CE LYS A 66 36.566 6.725 18.527 1.00 0.00 C
506
+ ATOM 505 NZ LYS A 66 36.833 6.762 19.996 1.00 0.00 N
507
+ ATOM 506 N ASN A 67 39.129 2.635 13.243 1.00 0.00 N
508
+ ATOM 507 CA ASN A 67 40.290 2.011 12.618 1.00 0.00 C
509
+ ATOM 508 C ASN A 67 40.108 1.871 11.110 1.00 0.00 C
510
+ ATOM 509 CB ASN A 67 40.570 0.645 13.248 1.00 0.00 C
511
+ ATOM 510 O ASN A 67 40.939 1.264 10.434 1.00 0.00 O
512
+ ATOM 511 CG ASN A 67 39.434 -0.337 13.040 1.00 0.00 C
513
+ ATOM 512 ND2 ASN A 67 39.536 -1.503 13.667 1.00 0.00 N
514
+ ATOM 513 OD1 ASN A 67 38.473 -0.051 12.320 1.00 0.00 O
515
+ ATOM 514 N GLY A 68 38.921 2.326 10.606 1.00 0.00 N
516
+ ATOM 515 CA GLY A 68 38.700 2.329 9.168 1.00 0.00 C
517
+ ATOM 516 C GLY A 68 37.876 1.151 8.688 1.00 0.00 C
518
+ ATOM 517 O GLY A 68 37.473 1.101 7.525 1.00 0.00 O
519
+ ATOM 518 N GLN A 69 37.593 0.173 9.550 1.00 0.00 N
520
+ ATOM 519 CA GLN A 69 36.733 -0.946 9.182 1.00 0.00 C
521
+ ATOM 520 C GLN A 69 35.312 -0.475 8.887 1.00 0.00 C
522
+ ATOM 521 CB GLN A 69 36.717 -1.998 10.293 1.00 0.00 C
523
+ ATOM 522 O GLN A 69 34.909 0.608 9.317 1.00 0.00 O
524
+ ATOM 523 CG GLN A 69 38.070 -2.654 10.538 1.00 0.00 C
525
+ ATOM 524 CD GLN A 69 38.045 -3.634 11.696 1.00 0.00 C
526
+ ATOM 525 NE2 GLN A 69 38.579 -4.830 11.472 1.00 0.00 N
527
+ ATOM 526 OE1 GLN A 69 37.551 -3.319 12.783 1.00 0.00 O
528
+ ATOM 527 N THR A 70 34.571 -1.317 8.164 1.00 0.00 N
529
+ ATOM 528 CA THR A 70 33.270 -0.878 7.672 1.00 0.00 C
530
+ ATOM 529 C THR A 70 32.144 -1.615 8.388 1.00 0.00 C
531
+ ATOM 530 CB THR A 70 33.146 -1.096 6.152 1.00 0.00 C
532
+ ATOM 531 O THR A 70 30.998 -1.605 7.932 1.00 0.00 O
533
+ ATOM 532 CG2 THR A 70 34.178 -0.272 5.391 1.00 0.00 C
534
+ ATOM 533 OG1 THR A 70 33.347 -2.484 5.857 1.00 0.00 O
535
+ ATOM 534 N ASN A 71 32.438 -2.296 9.461 1.00 0.00 N
536
+ ATOM 535 CA ASN A 71 31.405 -3.067 10.145 1.00 0.00 C
537
+ ATOM 536 C ASN A 71 30.934 -2.371 11.418 1.00 0.00 C
538
+ ATOM 537 CB ASN A 71 31.912 -4.476 10.467 1.00 0.00 C
539
+ ATOM 538 O ASN A 71 30.545 -3.029 12.383 1.00 0.00 O
540
+ ATOM 539 CG ASN A 71 33.082 -4.469 11.430 1.00 0.00 C
541
+ ATOM 540 ND2 ASN A 71 33.185 -5.511 12.246 1.00 0.00 N
542
+ ATOM 541 OD1 ASN A 71 33.888 -3.534 11.441 1.00 0.00 O
543
+ ATOM 542 N CYS A 72 30.988 -1.027 11.415 1.00 0.00 N
544
+ ATOM 543 CA CYS A 72 30.515 -0.282 12.576 1.00 0.00 C
545
+ ATOM 544 C CYS A 72 29.147 0.334 12.308 1.00 0.00 C
546
+ ATOM 545 CB CYS A 72 31.513 0.814 12.953 1.00 0.00 C
547
+ ATOM 546 O CYS A 72 28.844 0.716 11.177 1.00 0.00 O
548
+ ATOM 547 SG CYS A 72 32.948 0.207 13.866 1.00 0.00 S
549
+ ATOM 548 N TYR A 73 28.347 0.368 13.344 1.00 0.00 N
550
+ ATOM 549 CA TYR A 73 26.983 0.881 13.274 1.00 0.00 C
551
+ ATOM 550 C TYR A 73 26.704 1.847 14.419 1.00 0.00 C
552
+ ATOM 551 CB TYR A 73 25.973 -0.271 13.304 1.00 0.00 C
553
+ ATOM 552 O TYR A 73 27.123 1.612 15.555 1.00 0.00 O
554
+ ATOM 553 CG TYR A 73 26.143 -1.257 12.175 1.00 0.00 C
555
+ ATOM 554 CD1 TYR A 73 25.351 -1.182 11.032 1.00 0.00 C
556
+ ATOM 555 CD2 TYR A 73 27.097 -2.267 12.249 1.00 0.00 C
557
+ ATOM 556 CE1 TYR A 73 25.502 -2.091 9.990 1.00 0.00 C
558
+ ATOM 557 CE2 TYR A 73 27.258 -3.181 11.212 1.00 0.00 C
559
+ ATOM 558 OH TYR A 73 26.613 -3.986 9.060 1.00 0.00 O
560
+ ATOM 559 CZ TYR A 73 26.457 -3.084 10.089 1.00 0.00 C
561
+ ATOM 560 N GLN A 74 26.021 2.900 14.106 1.00 0.00 N
562
+ ATOM 561 CA GLN A 74 25.633 3.930 15.064 1.00 0.00 C
563
+ ATOM 562 C GLN A 74 24.151 3.826 15.413 1.00 0.00 C
564
+ ATOM 563 CB GLN A 74 25.947 5.322 14.513 1.00 0.00 C
565
+ ATOM 564 O GLN A 74 23.309 3.663 14.528 1.00 0.00 O
566
+ ATOM 565 CG GLN A 74 25.523 6.457 15.435 1.00 0.00 C
567
+ ATOM 566 CD GLN A 74 25.836 7.827 14.862 1.00 0.00 C
568
+ ATOM 567 NE2 GLN A 74 25.129 8.846 15.339 1.00 0.00 N
569
+ ATOM 568 OE1 GLN A 74 26.707 7.968 13.997 1.00 0.00 O
570
+ ATOM 569 N SER A 75 23.846 3.925 16.672 1.00 0.00 N
571
+ ATOM 570 CA SER A 75 22.457 3.881 17.116 1.00 0.00 C
572
+ ATOM 571 C SER A 75 21.672 5.079 16.593 1.00 0.00 C
573
+ ATOM 572 CB SER A 75 22.381 3.839 18.642 1.00 0.00 C
574
+ ATOM 573 O SER A 75 22.219 6.177 16.461 1.00 0.00 O
575
+ ATOM 574 OG SER A 75 22.920 5.024 19.205 1.00 0.00 O
576
+ ATOM 575 N TYR A 76 20.396 4.852 16.260 1.00 0.00 N
577
+ ATOM 576 CA TYR A 76 19.513 5.921 15.808 1.00 0.00 C
578
+ ATOM 577 C TYR A 76 19.161 6.860 16.956 1.00 0.00 C
579
+ ATOM 578 CB TYR A 76 18.235 5.342 15.196 1.00 0.00 C
580
+ ATOM 579 O TYR A 76 19.046 8.073 16.762 1.00 0.00 O
581
+ ATOM 580 CG TYR A 76 18.427 4.781 13.807 1.00 0.00 C
582
+ ATOM 581 CD1 TYR A 76 19.324 5.366 12.917 1.00 0.00 C
583
+ ATOM 582 CD2 TYR A 76 17.711 3.667 13.383 1.00 0.00 C
584
+ ATOM 583 CE1 TYR A 76 19.502 4.854 11.636 1.00 0.00 C
585
+ ATOM 584 CE2 TYR A 76 17.881 3.146 12.104 1.00 0.00 C
586
+ ATOM 585 OH TYR A 76 18.951 3.234 9.972 1.00 0.00 O
587
+ ATOM 586 CZ TYR A 76 18.779 3.746 11.239 1.00 0.00 C
588
+ ATOM 587 N SER A 77 18.991 6.351 18.128 1.00 0.00 N
589
+ ATOM 588 CA SER A 77 18.645 7.129 19.313 1.00 0.00 C
590
+ ATOM 589 C SER A 77 19.777 7.112 20.334 1.00 0.00 C
591
+ ATOM 590 CB SER A 77 17.363 6.592 19.952 1.00 0.00 C
592
+ ATOM 591 O SER A 77 20.639 6.231 20.300 1.00 0.00 O
593
+ ATOM 592 OG SER A 77 17.528 5.244 20.356 1.00 0.00 O
594
+ ATOM 593 N THR A 78 19.771 8.138 21.159 1.00 0.00 N
595
+ ATOM 594 CA THR A 78 20.751 8.150 22.239 1.00 0.00 C
596
+ ATOM 595 C THR A 78 20.448 7.053 23.256 1.00 0.00 C
597
+ ATOM 596 CB THR A 78 20.785 9.516 22.948 1.00 0.00 C
598
+ ATOM 597 O THR A 78 19.297 6.635 23.401 1.00 0.00 O
599
+ ATOM 598 CG2 THR A 78 21.150 10.632 21.975 1.00 0.00 C
600
+ ATOM 599 OG1 THR A 78 19.494 9.789 23.508 1.00 0.00 O
601
+ ATOM 600 N MET A 79 21.465 6.596 23.776 1.00 0.00 N
602
+ ATOM 601 CA MET A 79 21.386 5.584 24.825 1.00 0.00 C
603
+ ATOM 602 C MET A 79 22.046 6.078 26.108 1.00 0.00 C
604
+ ATOM 603 CB MET A 79 22.045 4.282 24.367 1.00 0.00 C
605
+ ATOM 604 O MET A 79 22.977 6.884 26.063 1.00 0.00 O
606
+ ATOM 605 CG MET A 79 21.386 3.657 23.148 1.00 0.00 C
607
+ ATOM 606 SD MET A 79 22.115 2.032 22.709 1.00 0.00 S
608
+ ATOM 607 CE MET A 79 20.994 1.527 21.376 1.00 0.00 C
609
+ ATOM 608 N SER A 80 21.462 5.657 27.253 1.00 0.00 N
610
+ ATOM 609 CA SER A 80 22.047 5.996 28.546 1.00 0.00 C
611
+ ATOM 610 C SER A 80 23.359 5.250 28.771 1.00 0.00 C
612
+ ATOM 611 CB SER A 80 21.069 5.676 29.677 1.00 0.00 C
613
+ ATOM 612 O SER A 80 23.400 4.021 28.698 1.00 0.00 O
614
+ ATOM 613 OG SER A 80 21.601 6.075 30.929 1.00 0.00 O
615
+ ATOM 614 N ILE A 81 24.506 6.040 28.998 1.00 0.00 N
616
+ ATOM 615 CA ILE A 81 25.814 5.418 29.168 1.00 0.00 C
617
+ ATOM 616 C ILE A 81 26.544 6.062 30.344 1.00 0.00 C
618
+ ATOM 617 CB ILE A 81 26.665 5.532 27.883 1.00 0.00 C
619
+ ATOM 618 O ILE A 81 26.185 7.159 30.780 1.00 0.00 O
620
+ ATOM 619 CG1 ILE A 81 26.931 7.004 27.547 1.00 0.00 C
621
+ ATOM 620 CG2 ILE A 81 25.979 4.819 26.715 1.00 0.00 C
622
+ ATOM 621 CD1 ILE A 81 28.073 7.218 26.564 1.00 0.00 C
623
+ ATOM 622 N THR A 82 27.485 5.367 30.876 1.00 0.00 N
624
+ ATOM 623 CA THR A 82 28.470 5.902 31.810 1.00 0.00 C
625
+ ATOM 624 C THR A 82 29.884 5.733 31.260 1.00 0.00 C
626
+ ATOM 625 CB THR A 82 28.365 5.218 33.185 1.00 0.00 C
627
+ ATOM 626 O THR A 82 30.305 4.617 30.950 1.00 0.00 O
628
+ ATOM 627 CG2 THR A 82 29.417 5.758 34.149 1.00 0.00 C
629
+ ATOM 628 OG1 THR A 82 27.062 5.458 33.733 1.00 0.00 O
630
+ ATOM 629 N ASP A 83 30.594 6.826 31.071 1.00 0.00 N
631
+ ATOM 630 CA ASP A 83 32.005 6.822 30.696 1.00 0.00 C
632
+ ATOM 631 C ASP A 83 32.901 6.798 31.932 1.00 0.00 C
633
+ ATOM 632 CB ASP A 83 32.333 8.039 29.830 1.00 0.00 C
634
+ ATOM 633 O ASP A 83 32.737 7.617 32.840 1.00 0.00 O
635
+ ATOM 634 CG ASP A 83 31.780 7.931 28.420 1.00 0.00 C
636
+ ATOM 635 OD1 ASP A 83 31.844 6.836 27.822 1.00 0.00 O
637
+ ATOM 636 OD2 ASP A 83 31.279 8.953 27.901 1.00 0.00 O
638
+ ATOM 637 N CYS A 84 33.679 5.830 31.980 1.00 0.00 N
639
+ ATOM 638 CA CYS A 84 34.692 5.688 33.020 1.00 0.00 C
640
+ ATOM 639 C CYS A 84 36.074 6.049 32.488 1.00 0.00 C
641
+ ATOM 640 CB CYS A 84 34.702 4.260 33.565 1.00 0.00 C
642
+ ATOM 641 O CYS A 84 36.591 5.384 31.589 1.00 0.00 O
643
+ ATOM 642 SG CYS A 84 33.137 3.754 34.311 1.00 0.00 S
644
+ ATOM 643 N ARG A 85 36.665 7.059 33.035 1.00 0.00 N
645
+ ATOM 644 CA ARG A 85 37.991 7.498 32.613 1.00 0.00 C
646
+ ATOM 645 C ARG A 85 38.961 7.516 33.789 1.00 0.00 C
647
+ ATOM 646 CB ARG A 85 37.919 8.885 31.971 1.00 0.00 C
648
+ ATOM 647 O ARG A 85 38.665 8.095 34.837 1.00 0.00 O
649
+ ATOM 648 CG ARG A 85 39.250 9.380 31.426 1.00 0.00 C
650
+ ATOM 649 CD ARG A 85 39.100 10.707 30.695 1.00 0.00 C
651
+ ATOM 650 NE ARG A 85 38.352 10.556 29.450 1.00 0.00 N
652
+ ATOM 651 NH1 ARG A 85 40.221 10.318 28.114 1.00 0.00 N
653
+ ATOM 652 NH2 ARG A 85 38.127 10.248 27.186 1.00 0.00 N
654
+ ATOM 653 CZ ARG A 85 38.902 10.375 28.252 1.00 0.00 C
655
+ ATOM 654 N GLU A 86 40.056 6.897 33.561 1.00 0.00 N
656
+ ATOM 655 CA GLU A 86 41.099 6.865 34.583 1.00 0.00 C
657
+ ATOM 656 C GLU A 86 41.544 8.275 34.961 1.00 0.00 C
658
+ ATOM 657 CB GLU A 86 42.299 6.046 34.101 1.00 0.00 C
659
+ ATOM 658 O GLU A 86 41.740 9.125 34.091 1.00 0.00 O
660
+ ATOM 659 CG GLU A 86 43.348 5.802 35.176 1.00 0.00 C
661
+ ATOM 660 CD GLU A 86 44.554 5.025 34.671 1.00 0.00 C
662
+ ATOM 661 OE1 GLU A 86 44.742 4.930 33.437 1.00 0.00 O
663
+ ATOM 662 OE2 GLU A 86 45.316 4.506 35.518 1.00 0.00 O
664
+ ATOM 663 N THR A 87 41.645 8.515 36.287 1.00 0.00 N
665
+ ATOM 664 CA THR A 87 42.032 9.827 36.791 1.00 0.00 C
666
+ ATOM 665 C THR A 87 43.548 9.929 36.928 1.00 0.00 C
667
+ ATOM 666 CB THR A 87 41.370 10.121 38.149 1.00 0.00 C
668
+ ATOM 667 O THR A 87 44.251 8.916 36.885 1.00 0.00 O
669
+ ATOM 668 CG2 THR A 87 39.862 9.906 38.085 1.00 0.00 C
670
+ ATOM 669 OG1 THR A 87 41.923 9.249 39.143 1.00 0.00 O
671
+ ATOM 670 N GLY A 88 44.043 11.229 37.082 1.00 0.00 N
672
+ ATOM 671 CA GLY A 88 45.462 11.479 37.282 1.00 0.00 C
673
+ ATOM 672 C GLY A 88 46.004 10.853 38.552 1.00 0.00 C
674
+ ATOM 673 O GLY A 88 47.211 10.631 38.675 1.00 0.00 O
675
+ ATOM 674 N SER A 89 45.156 10.541 39.476 1.00 0.00 N
676
+ ATOM 675 CA SER A 89 45.573 9.984 40.758 1.00 0.00 C
677
+ ATOM 676 C SER A 89 45.592 8.459 40.719 1.00 0.00 C
678
+ ATOM 677 CB SER A 89 44.647 10.461 41.877 1.00 0.00 C
679
+ ATOM 678 O SER A 89 45.930 7.812 41.712 1.00 0.00 O
680
+ ATOM 679 OG SER A 89 43.319 10.020 41.654 1.00 0.00 O
681
+ ATOM 680 N SER A 90 45.329 7.866 39.653 1.00 0.00 N
682
+ ATOM 681 CA SER A 90 45.252 6.416 39.517 1.00 0.00 C
683
+ ATOM 682 C SER A 90 46.640 5.784 39.539 1.00 0.00 C
684
+ ATOM 683 CB SER A 90 44.530 6.035 38.225 1.00 0.00 C
685
+ ATOM 684 O SER A 90 47.547 6.242 38.842 1.00 0.00 O
686
+ ATOM 685 OG SER A 90 44.351 4.632 38.143 1.00 0.00 O
687
+ ATOM 686 N LYS A 91 46.774 4.727 40.302 1.00 0.00 N
688
+ ATOM 687 CA LYS A 91 47.962 3.884 40.391 1.00 0.00 C
689
+ ATOM 688 C LYS A 91 47.584 2.415 40.553 1.00 0.00 C
690
+ ATOM 689 CB LYS A 91 48.849 4.328 41.556 1.00 0.00 C
691
+ ATOM 690 O LYS A 91 46.902 2.045 41.511 1.00 0.00 O
692
+ ATOM 691 CG LYS A 91 50.237 3.705 41.550 1.00 0.00 C
693
+ ATOM 692 CD LYS A 91 51.115 4.286 42.651 1.00 0.00 C
694
+ ATOM 693 CE LYS A 91 52.498 3.650 42.658 1.00 0.00 C
695
+ ATOM 694 NZ LYS A 91 53.384 4.264 43.692 1.00 0.00 N
696
+ ATOM 695 N TYR A 92 48.127 1.610 39.661 1.00 0.00 N
697
+ ATOM 696 CA TYR A 92 47.850 0.183 39.791 1.00 0.00 C
698
+ ATOM 697 C TYR A 92 48.459 -0.377 41.070 1.00 0.00 C
699
+ ATOM 698 CB TYR A 92 48.387 -0.582 38.577 1.00 0.00 C
700
+ ATOM 699 O TYR A 92 49.619 -0.099 41.385 1.00 0.00 O
701
+ ATOM 700 CG TYR A 92 48.128 -2.068 38.633 1.00 0.00 C
702
+ ATOM 701 CD1 TYR A 92 46.895 -2.594 38.254 1.00 0.00 C
703
+ ATOM 702 CD2 TYR A 92 49.114 -2.947 39.066 1.00 0.00 C
704
+ ATOM 703 CE1 TYR A 92 46.651 -3.963 38.306 1.00 0.00 C
705
+ ATOM 704 CE2 TYR A 92 48.881 -4.318 39.121 1.00 0.00 C
706
+ ATOM 705 OH TYR A 92 47.413 -6.170 38.793 1.00 0.00 O
707
+ ATOM 706 CZ TYR A 92 47.649 -4.816 38.740 1.00 0.00 C
708
+ ATOM 707 N PRO A 93 47.709 -1.156 41.752 1.00 0.00 N
709
+ ATOM 708 CA PRO A 93 46.413 -1.767 41.453 1.00 0.00 C
710
+ ATOM 709 C PRO A 93 45.239 -0.951 41.987 1.00 0.00 C
711
+ ATOM 710 CB PRO A 93 46.496 -3.128 42.151 1.00 0.00 C
712
+ ATOM 711 O PRO A 93 44.097 -1.420 41.971 1.00 0.00 O
713
+ ATOM 712 CG PRO A 93 47.339 -2.885 43.361 1.00 0.00 C
714
+ ATOM 713 CD PRO A 93 48.393 -1.873 43.013 1.00 0.00 C
715
+ ATOM 714 N ASN A 94 45.507 0.254 42.554 1.00 0.00 N
716
+ ATOM 715 CA ASN A 94 44.449 1.140 43.029 1.00 0.00 C
717
+ ATOM 716 C ASN A 94 43.964 2.076 41.926 1.00 0.00 C
718
+ ATOM 717 CB ASN A 94 44.926 1.946 44.238 1.00 0.00 C
719
+ ATOM 718 O ASN A 94 44.293 3.264 41.925 1.00 0.00 O
720
+ ATOM 719 CG ASN A 94 45.347 1.065 45.398 1.00 0.00 C
721
+ ATOM 720 ND2 ASN A 94 46.450 1.422 46.045 1.00 0.00 N
722
+ ATOM 721 OD1 ASN A 94 44.686 0.071 45.710 1.00 0.00 O
723
+ ATOM 722 N CYS A 95 43.214 1.544 41.044 1.00 0.00 N
724
+ ATOM 723 CA CYS A 95 42.722 2.295 39.895 1.00 0.00 C
725
+ ATOM 724 C CYS A 95 41.582 3.223 40.298 1.00 0.00 C
726
+ ATOM 725 CB CYS A 95 42.253 1.346 38.793 1.00 0.00 C
727
+ ATOM 726 O CYS A 95 40.684 2.823 41.042 1.00 0.00 O
728
+ ATOM 727 SG CYS A 95 43.509 0.154 38.276 1.00 0.00 S
729
+ ATOM 728 N ALA A 96 41.632 4.481 39.947 1.00 0.00 N
730
+ ATOM 729 CA ALA A 96 40.623 5.499 40.229 1.00 0.00 C
731
+ ATOM 730 C ALA A 96 40.044 6.069 38.938 1.00 0.00 C
732
+ ATOM 731 CB ALA A 96 41.219 6.616 41.081 1.00 0.00 C
733
+ ATOM 732 O ALA A 96 40.787 6.409 38.014 1.00 0.00 O
734
+ ATOM 733 N TYR A 97 38.720 6.181 38.928 1.00 0.00 N
735
+ ATOM 734 CA TYR A 97 38.061 6.581 37.690 1.00 0.00 C
736
+ ATOM 735 C TYR A 97 37.055 7.697 37.943 1.00 0.00 C
737
+ ATOM 736 CB TYR A 97 37.361 5.384 37.041 1.00 0.00 C
738
+ ATOM 737 O TYR A 97 36.369 7.702 38.968 1.00 0.00 O
739
+ ATOM 738 CG TYR A 97 38.306 4.294 36.599 1.00 0.00 C
740
+ ATOM 739 CD1 TYR A 97 38.845 4.292 35.314 1.00 0.00 C
741
+ ATOM 740 CD2 TYR A 97 38.662 3.264 37.463 1.00 0.00 C
742
+ ATOM 741 CE1 TYR A 97 39.716 3.289 34.901 1.00 0.00 C
743
+ ATOM 742 CE2 TYR A 97 39.531 2.256 37.061 1.00 0.00 C
744
+ ATOM 743 OH TYR A 97 40.914 1.280 35.377 1.00 0.00 O
745
+ ATOM 744 CZ TYR A 97 40.053 2.277 35.781 1.00 0.00 C
746
+ ATOM 745 N LYS A 98 37.004 8.607 37.018 1.00 0.00 N
747
+ ATOM 746 CA LYS A 98 35.917 9.576 36.932 1.00 0.00 C
748
+ ATOM 747 C LYS A 98 34.681 8.959 36.284 1.00 0.00 C
749
+ ATOM 748 CB LYS A 98 36.360 10.811 36.146 1.00 0.00 C
750
+ ATOM 749 O LYS A 98 34.783 8.288 35.255 1.00 0.00 O
751
+ ATOM 750 CG LYS A 98 35.325 11.926 36.110 1.00 0.00 C
752
+ ATOM 751 CD LYS A 98 35.832 13.135 35.336 1.00 0.00 C
753
+ ATOM 752 CE LYS A 98 34.789 14.243 35.278 1.00 0.00 C
754
+ ATOM 753 NZ LYS A 98 35.265 15.412 34.480 1.00 0.00 N
755
+ ATOM 754 N THR A 99 33.545 9.182 36.900 1.00 0.00 N
756
+ ATOM 755 CA THR A 99 32.254 8.695 36.427 1.00 0.00 C
757
+ ATOM 756 C THR A 99 31.479 9.809 35.730 1.00 0.00 C
758
+ ATOM 757 CB THR A 99 31.413 8.129 37.586 1.00 0.00 C
759
+ ATOM 758 O THR A 99 31.204 10.851 36.329 1.00 0.00 O
760
+ ATOM 759 CG2 THR A 99 30.059 7.630 37.090 1.00 0.00 C
761
+ ATOM 760 OG1 THR A 99 32.118 7.040 38.193 1.00 0.00 O
762
+ ATOM 761 N THR A 100 31.228 9.607 34.467 1.00 0.00 N
763
+ ATOM 762 CA THR A 100 30.458 10.585 33.706 1.00 0.00 C
764
+ ATOM 763 C THR A 100 29.252 9.924 33.042 1.00 0.00 C
765
+ ATOM 764 CB THR A 100 31.326 11.269 32.634 1.00 0.00 C
766
+ ATOM 765 O THR A 100 29.410 9.069 32.168 1.00 0.00 O
767
+ ATOM 766 CG2 THR A 100 30.545 12.360 31.908 1.00 0.00 C
768
+ ATOM 767 OG1 THR A 100 32.475 11.854 33.260 1.00 0.00 O
769
+ ATOM 768 N GLN A 101 28.129 10.319 33.410 1.00 0.00 N
770
+ ATOM 769 CA GLN A 101 26.898 9.836 32.794 1.00 0.00 C
771
+ ATOM 770 C GLN A 101 26.457 10.750 31.654 1.00 0.00 C
772
+ ATOM 771 CB GLN A 101 25.783 9.724 33.837 1.00 0.00 C
773
+ ATOM 772 O GLN A 101 26.602 11.971 31.739 1.00 0.00 O
774
+ ATOM 773 CG GLN A 101 26.050 8.678 34.911 1.00 0.00 C
775
+ ATOM 774 CD GLN A 101 24.943 8.606 35.947 1.00 0.00 C
776
+ ATOM 775 NE2 GLN A 101 24.974 7.568 36.775 1.00 0.00 N
777
+ ATOM 776 OE1 GLN A 101 24.069 9.476 36.002 1.00 0.00 O
778
+ ATOM 777 N ALA A 102 25.902 10.089 30.653 1.00 0.00 N
779
+ ATOM 778 CA ALA A 102 25.429 10.867 29.512 1.00 0.00 C
780
+ ATOM 779 C ALA A 102 24.464 10.053 28.655 1.00 0.00 C
781
+ ATOM 780 CB ALA A 102 26.609 11.346 28.669 1.00 0.00 C
782
+ ATOM 781 O ALA A 102 24.398 8.827 28.777 1.00 0.00 O
783
+ ATOM 782 N ASN A 103 23.689 10.760 27.907 1.00 0.00 N
784
+ ATOM 783 CA ASN A 103 22.918 10.183 26.811 1.00 0.00 C
785
+ ATOM 784 C ASN A 103 23.555 10.485 25.458 1.00 0.00 C
786
+ ATOM 785 CB ASN A 103 21.474 10.688 26.845 1.00 0.00 C
787
+ ATOM 786 O ASN A 103 23.590 11.640 25.029 1.00 0.00 O
788
+ ATOM 787 CG ASN A 103 20.708 10.186 28.052 1.00 0.00 C
789
+ ATOM 788 ND2 ASN A 103 19.907 11.059 28.651 1.00 0.00 N
790
+ ATOM 789 OD1 ASN A 103 20.835 9.023 28.443 1.00 0.00 O
791
+ ATOM 790 N LYS A 104 24.090 9.512 24.864 1.00 0.00 N
792
+ ATOM 791 CA LYS A 104 24.808 9.681 23.605 1.00 0.00 C
793
+ ATOM 792 C LYS A 104 24.454 8.574 22.617 1.00 0.00 C
794
+ ATOM 793 CB LYS A 104 26.319 9.702 23.847 1.00 0.00 C
795
+ ATOM 794 O LYS A 104 23.992 7.503 23.016 1.00 0.00 O
796
+ ATOM 795 CG LYS A 104 26.801 10.903 24.648 1.00 0.00 C
797
+ ATOM 796 CD LYS A 104 28.321 10.960 24.708 1.00 0.00 C
798
+ ATOM 797 CE LYS A 104 28.806 12.225 25.405 1.00 0.00 C
799
+ ATOM 798 NZ LYS A 104 30.296 12.326 25.394 1.00 0.00 N
800
+ ATOM 799 N HIS A 105 24.664 8.813 21.357 1.00 0.00 N
801
+ ATOM 800 CA HIS A 105 24.676 7.724 20.386 1.00 0.00 C
802
+ ATOM 801 C HIS A 105 25.929 6.866 20.536 1.00 0.00 C
803
+ ATOM 802 CB HIS A 105 24.585 8.274 18.962 1.00 0.00 C
804
+ ATOM 803 O HIS A 105 27.008 7.382 20.838 1.00 0.00 O
805
+ ATOM 804 CG HIS A 105 23.346 9.071 18.704 1.00 0.00 C
806
+ ATOM 805 CD2 HIS A 105 23.121 10.405 18.748 1.00 0.00 C
807
+ ATOM 806 ND1 HIS A 105 22.146 8.488 18.356 1.00 0.00 N
808
+ ATOM 807 CE1 HIS A 105 21.235 9.433 18.196 1.00 0.00 C
809
+ ATOM 808 NE2 HIS A 105 21.800 10.605 18.428 1.00 0.00 N
810
+ ATOM 809 N ILE A 106 25.774 5.623 20.346 1.00 0.00 N
811
+ ATOM 810 CA ILE A 106 26.933 4.742 20.441 1.00 0.00 C
812
+ ATOM 811 C ILE A 106 27.247 4.153 19.067 1.00 0.00 C
813
+ ATOM 812 CB ILE A 106 26.703 3.611 21.468 1.00 0.00 C
814
+ ATOM 813 O ILE A 106 26.360 4.036 18.218 1.00 0.00 O
815
+ ATOM 814 CG1 ILE A 106 25.543 2.713 21.023 1.00 0.00 C
816
+ ATOM 815 CG2 ILE A 106 26.441 4.193 22.861 1.00 0.00 C
817
+ ATOM 816 CD1 ILE A 106 25.451 1.398 21.784 1.00 0.00 C
818
+ ATOM 817 N ILE A 107 28.466 3.907 18.867 1.00 0.00 N
819
+ ATOM 818 CA ILE A 107 28.967 3.195 17.696 1.00 0.00 C
820
+ ATOM 819 C ILE A 107 29.602 1.875 18.128 1.00 0.00 C
821
+ ATOM 820 CB ILE A 107 29.986 4.049 16.910 1.00 0.00 C
822
+ ATOM 821 O ILE A 107 30.500 1.858 18.974 1.00 0.00 O
823
+ ATOM 822 CG1 ILE A 107 29.329 5.341 16.411 1.00 0.00 C
824
+ ATOM 823 CG2 ILE A 107 30.575 3.249 15.744 1.00 0.00 C
825
+ ATOM 824 CD1 ILE A 107 30.297 6.313 15.751 1.00 0.00 C
826
+ ATOM 825 N VAL A 108 29.156 0.737 17.581 1.00 0.00 N
827
+ ATOM 826 CA VAL A 108 29.683 -0.585 17.900 1.00 0.00 C
828
+ ATOM 827 C VAL A 108 30.088 -1.304 16.616 1.00 0.00 C
829
+ ATOM 828 CB VAL A 108 28.655 -1.432 18.683 1.00 0.00 C
830
+ ATOM 829 O VAL A 108 29.515 -1.059 15.552 1.00 0.00 O
831
+ ATOM 830 CG1 VAL A 108 28.351 -0.795 20.039 1.00 0.00 C
832
+ ATOM 831 CG2 VAL A 108 27.373 -1.601 17.870 1.00 0.00 C
833
+ ATOM 832 N ALA A 109 31.085 -2.158 16.731 1.00 0.00 N
834
+ ATOM 833 CA ALA A 109 31.453 -3.075 15.654 1.00 0.00 C
835
+ ATOM 834 C ALA A 109 30.688 -4.389 15.768 1.00 0.00 C
836
+ ATOM 835 CB ALA A 109 32.958 -3.334 15.668 1.00 0.00 C
837
+ ATOM 836 O ALA A 109 30.580 -4.960 16.856 1.00 0.00 O
838
+ ATOM 837 N CYS A 110 30.112 -4.790 14.715 1.00 0.00 N
839
+ ATOM 838 CA CYS A 110 29.255 -5.970 14.733 1.00 0.00 C
840
+ ATOM 839 C CYS A 110 29.828 -7.074 13.851 1.00 0.00 C
841
+ ATOM 840 CB CYS A 110 27.844 -5.613 14.267 1.00 0.00 C
842
+ ATOM 841 O CYS A 110 30.401 -6.797 12.796 1.00 0.00 O
843
+ ATOM 842 SG CYS A 110 27.049 -4.334 15.264 1.00 0.00 S
844
+ ATOM 843 N GLU A 111 29.764 -8.250 14.340 1.00 0.00 N
845
+ ATOM 844 CA GLU A 111 30.288 -9.390 13.594 1.00 0.00 C
846
+ ATOM 845 C GLU A 111 29.519 -10.666 13.925 1.00 0.00 C
847
+ ATOM 846 CB GLU A 111 31.778 -9.583 13.884 1.00 0.00 C
848
+ ATOM 847 O GLU A 111 28.768 -10.709 14.902 1.00 0.00 O
849
+ ATOM 848 CG GLU A 111 32.645 -8.408 13.457 1.00 0.00 C
850
+ ATOM 849 CD GLU A 111 34.118 -8.601 13.780 1.00 0.00 C
851
+ ATOM 850 OE1 GLU A 111 34.514 -9.725 14.160 1.00 0.00 O
852
+ ATOM 851 OE2 GLU A 111 34.883 -7.617 13.654 1.00 0.00 O
853
+ ATOM 852 N GLY A 112 29.767 -11.688 13.131 1.00 0.00 N
854
+ ATOM 853 CA GLY A 112 29.299 -13.031 13.438 1.00 0.00 C
855
+ ATOM 854 C GLY A 112 27.887 -13.296 12.952 1.00 0.00 C
856
+ ATOM 855 O GLY A 112 27.254 -12.420 12.358 1.00 0.00 O
857
+ ATOM 856 N ASN A 113 27.439 -14.440 13.094 1.00 0.00 N
858
+ ATOM 857 CA ASN A 113 26.084 -14.955 12.935 1.00 0.00 C
859
+ ATOM 858 C ASN A 113 25.564 -15.574 14.230 1.00 0.00 C
860
+ ATOM 859 CB ASN A 113 26.030 -15.979 11.798 1.00 0.00 C
861
+ ATOM 860 O ASN A 113 25.947 -16.689 14.588 1.00 0.00 O
862
+ ATOM 861 CG ASN A 113 24.612 -16.359 11.423 1.00 0.00 C
863
+ ATOM 862 ND2 ASN A 113 24.475 -17.246 10.443 1.00 0.00 N
864
+ ATOM 863 OD1 ASN A 113 23.646 -15.860 12.007 1.00 0.00 O
865
+ ATOM 864 N PRO A 114 24.756 -14.945 14.897 1.00 0.00 N
866
+ ATOM 865 CA PRO A 114 24.030 -13.713 14.578 1.00 0.00 C
867
+ ATOM 866 C PRO A 114 24.933 -12.482 14.569 1.00 0.00 C
868
+ ATOM 867 CB PRO A 114 22.988 -13.619 15.696 1.00 0.00 C
869
+ ATOM 868 O PRO A 114 26.042 -12.520 15.109 1.00 0.00 O
870
+ ATOM 869 CG PRO A 114 23.623 -14.294 16.868 1.00 0.00 C
871
+ ATOM 870 CD PRO A 114 24.493 -15.409 16.363 1.00 0.00 C
872
+ ATOM 871 N TYR A 115 24.502 -11.535 13.877 1.00 0.00 N
873
+ ATOM 872 CA TYR A 115 25.189 -10.258 13.726 1.00 0.00 C
874
+ ATOM 873 C TYR A 115 25.018 -9.396 14.971 1.00 0.00 C
875
+ ATOM 874 CB TYR A 115 24.666 -9.508 12.497 1.00 0.00 C
876
+ ATOM 875 O TYR A 115 23.952 -8.817 15.193 1.00 0.00 O
877
+ ATOM 876 CG TYR A 115 25.585 -8.408 12.021 1.00 0.00 C
878
+ ATOM 877 CD1 TYR A 115 26.892 -8.687 11.630 1.00 0.00 C
879
+ ATOM 878 CD2 TYR A 115 25.148 -7.089 11.964 1.00 0.00 C
880
+ ATOM 879 CE1 TYR A 115 27.743 -7.677 11.191 1.00 0.00 C
881
+ ATOM 880 CE2 TYR A 115 25.990 -6.072 11.528 1.00 0.00 C
882
+ ATOM 881 OH TYR A 115 28.121 -5.371 10.711 1.00 0.00 O
883
+ ATOM 882 CZ TYR A 115 27.284 -6.375 11.144 1.00 0.00 C
884
+ ATOM 883 N VAL A 116 26.064 -9.419 15.940 1.00 0.00 N
885
+ ATOM 884 CA VAL A 116 25.957 -8.841 17.275 1.00 0.00 C
886
+ ATOM 885 C VAL A 116 27.185 -7.981 17.566 1.00 0.00 C
887
+ ATOM 886 CB VAL A 116 25.805 -9.935 18.356 1.00 0.00 C
888
+ ATOM 887 O VAL A 116 28.227 -8.141 16.928 1.00 0.00 O
889
+ ATOM 888 CG1 VAL A 116 24.455 -10.639 18.226 1.00 0.00 C
890
+ ATOM 889 CG2 VAL A 116 26.948 -10.943 18.259 1.00 0.00 C
891
+ ATOM 890 N PRO A 117 27.025 -7.038 18.540 1.00 0.00 N
892
+ ATOM 891 CA PRO A 117 28.160 -6.194 18.918 1.00 0.00 C
893
+ ATOM 892 C PRO A 117 29.320 -6.994 19.506 1.00 0.00 C
894
+ ATOM 893 CB PRO A 117 27.564 -5.247 19.963 1.00 0.00 C
895
+ ATOM 894 O PRO A 117 29.107 -7.871 20.346 1.00 0.00 O
896
+ ATOM 895 CG PRO A 117 26.089 -5.298 19.727 1.00 0.00 C
897
+ ATOM 896 CD PRO A 117 25.727 -6.680 19.265 1.00 0.00 C
898
+ ATOM 897 N VAL A 118 30.601 -6.687 19.041 1.00 0.00 N
899
+ ATOM 898 CA VAL A 118 31.786 -7.391 19.520 1.00 0.00 C
900
+ ATOM 899 C VAL A 118 32.831 -6.383 19.994 1.00 0.00 C
901
+ ATOM 900 CB VAL A 118 32.384 -8.304 18.425 1.00 0.00 C
902
+ ATOM 901 O VAL A 118 33.821 -6.756 20.627 1.00 0.00 O
903
+ ATOM 902 CG1 VAL A 118 31.415 -9.428 18.070 1.00 0.00 C
904
+ ATOM 903 CG2 VAL A 118 32.739 -7.486 17.185 1.00 0.00 C
905
+ ATOM 904 N HIS A 119 32.595 -5.102 19.725 1.00 0.00 N
906
+ ATOM 905 CA HIS A 119 33.515 -4.048 20.140 1.00 0.00 C
907
+ ATOM 906 C HIS A 119 32.797 -2.708 20.263 1.00 0.00 C
908
+ ATOM 907 CB HIS A 119 34.677 -3.933 19.153 1.00 0.00 C
909
+ ATOM 908 O HIS A 119 31.972 -2.360 19.416 1.00 0.00 O
910
+ ATOM 909 CG HIS A 119 35.628 -2.823 19.473 1.00 0.00 C
911
+ ATOM 910 CD2 HIS A 119 36.741 -2.801 20.244 1.00 0.00 C
912
+ ATOM 911 ND1 HIS A 119 35.478 -1.548 18.974 1.00 0.00 N
913
+ ATOM 912 CE1 HIS A 119 36.460 -0.786 19.426 1.00 0.00 C
914
+ ATOM 913 NE2 HIS A 119 37.240 -1.524 20.199 1.00 0.00 N
915
+ ATOM 914 N PHE A 120 33.081 -2.028 21.328 1.00 0.00 N
916
+ ATOM 915 CA PHE A 120 32.611 -0.659 21.508 1.00 0.00 C
917
+ ATOM 916 C PHE A 120 33.556 0.330 20.836 1.00 0.00 C
918
+ ATOM 917 CB PHE A 120 32.477 -0.328 22.998 1.00 0.00 C
919
+ ATOM 918 O PHE A 120 34.690 0.514 21.282 1.00 0.00 O
920
+ ATOM 919 CG PHE A 120 31.661 0.906 23.273 1.00 0.00 C
921
+ ATOM 920 CD1 PHE A 120 32.210 2.172 23.107 1.00 0.00 C
922
+ ATOM 921 CD2 PHE A 120 30.343 0.800 23.700 1.00 0.00 C
923
+ ATOM 922 CE1 PHE A 120 31.456 3.315 23.362 1.00 0.00 C
924
+ ATOM 923 CE2 PHE A 120 29.584 1.938 23.956 1.00 0.00 C
925
+ ATOM 924 CZ PHE A 120 30.143 3.195 23.788 1.00 0.00 C
926
+ ATOM 925 N ASP A 121 33.064 1.053 19.822 1.00 0.00 N
927
+ ATOM 926 CA ASP A 121 33.966 1.875 19.021 1.00 0.00 C
928
+ ATOM 927 C ASP A 121 34.005 3.312 19.539 1.00 0.00 C
929
+ ATOM 928 CB ASP A 121 33.547 1.857 17.550 1.00 0.00 C
930
+ ATOM 929 O ASP A 121 35.077 3.909 19.650 1.00 0.00 O
931
+ ATOM 930 CG ASP A 121 34.617 2.402 16.622 1.00 0.00 C
932
+ ATOM 931 OD1 ASP A 121 35.714 1.809 16.541 1.00 0.00 O
933
+ ATOM 932 OD2 ASP A 121 34.362 3.435 15.966 1.00 0.00 O
934
+ ATOM 933 N ALA A 122 32.812 3.820 19.830 1.00 0.00 N
935
+ ATOM 934 CA ALA A 122 32.777 5.197 20.313 1.00 0.00 C
936
+ ATOM 935 C ALA A 122 31.393 5.558 20.845 1.00 0.00 C
937
+ ATOM 936 CB ALA A 122 33.184 6.161 19.200 1.00 0.00 C
938
+ ATOM 937 O ALA A 122 30.431 4.814 20.642 1.00 0.00 O
939
+ ATOM 938 N SER A 123 31.332 6.587 21.595 1.00 0.00 N
940
+ ATOM 939 CA SER A 123 30.096 7.297 21.908 1.00 0.00 C
941
+ ATOM 940 C SER A 123 30.127 8.723 21.367 1.00 0.00 C
942
+ ATOM 941 CB SER A 123 29.859 7.321 23.419 1.00 0.00 C
943
+ ATOM 942 O SER A 123 31.162 9.391 21.419 1.00 0.00 O
944
+ ATOM 943 OG SER A 123 30.886 8.041 24.078 1.00 0.00 O
945
+ ATOM 944 N VAL A 124 28.979 9.128 20.748 1.00 0.00 N
946
+ ATOM 945 CA VAL A 124 28.949 10.437 20.107 1.00 0.00 C
947
+ ATOM 946 C VAL A 124 27.661 11.167 20.480 1.00 0.00 C
948
+ ATOM 947 CB VAL A 124 29.070 10.321 18.571 1.00 0.00 C
949
+ ATOM 948 O VAL A 124 26.648 10.534 20.788 1.00 0.00 O
950
+ ATOM 949 CG1 VAL A 124 30.428 9.742 18.178 1.00 0.00 C
951
+ ATOM 950 CG2 VAL A 124 27.937 9.461 18.011 1.00 0.00 C
952
+ ATOM 951 OXT VAL A 124 28.273 12.197 20.292 1.00 0.00 O
953
+ TER 952 VAL A 124
954
+ CONECT 194 642
955
+ CONECT 310 727
956
+ CONECT 446 842
957
+ CONECT 496 547
958
+ CONECT 547 496
959
+ CONECT 642 194
960
+ CONECT 727 310
961
+ CONECT 842 446
962
+ END
1jvu/1jvu_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1r2b/1r2b_ligand.mol2 ADDED
@@ -0,0 +1,603 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:50 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 1r2b_ligand
7
+ 293 294 1 0 0
8
+ SMALL
9
+ GAST_HUCK
10
+
11
+
12
+ @<TRIPOS>ATOM
13
+ 1 N 29.5310 5.6240 42.6190 N.4 1 GLY 0.2357
14
+ 2 CA 28.6950 4.4090 42.8120 C.3 1 GLY 0.0545
15
+ 3 C 28.5860 3.6460 41.5110 C.2 1 GLY 0.2237
16
+ 4 O 29.1900 4.0580 40.5070 O.2 1 GLY -0.3910
17
+ 5 N 27.8030 2.5640 41.5130 N.am 1 SER -0.2591
18
+ 6 CA 27.6560 1.7340 40.3310 C.3 1 SER 0.1540
19
+ 7 C 26.3060 1.0290 40.1500 C.2 1 SER 0.2062
20
+ 8 O 25.5130 0.8600 41.0960 O.2 1 SER -0.3943
21
+ 9 CB 28.7770 0.6950 40.3270 C.3 1 SER 0.0843
22
+ 10 OG 28.6920 -0.1350 41.4640 O.3 1 SER -0.3903
23
+ 11 N 26.0470 0.6300 38.9070 N.am 1 LEU -0.2636
24
+ 12 CA 24.8250 -0.0860 38.5700 C.3 1 LEU 0.1312
25
+ 13 C 25.1140 -1.5440 38.8730 C.2 1 LEU 0.2039
26
+ 14 O 25.9760 -2.1710 38.2470 O.2 1 LEU -0.3944
27
+ 15 CB 24.4780 0.1040 37.1020 C.3 1 LEU -0.0101
28
+ 16 CG 24.2090 1.5730 36.7370 C.3 1 LEU -0.0425
29
+ 17 CD1 23.9950 1.6830 35.2260 C.3 1 LEU -0.0625
30
+ 18 CD2 22.9820 2.1130 37.5140 C.3 1 LEU -0.0625
31
+ 19 N 24.3750 -2.0780 39.8340 N.am 1 VAL -0.2635
32
+ 20 CA 24.5680 -3.4340 40.2840 C.3 1 VAL 0.1332
33
+ 21 C 24.3230 -4.5350 39.2650 C.2 1 VAL 0.2041
34
+ 22 O 23.2600 -4.6110 38.6210 O.2 1 VAL -0.3944
35
+ 23 CB 23.7210 -3.7230 41.5470 C.3 1 VAL -0.0063
36
+ 24 CG1 24.1420 -5.0640 42.1530 C.3 1 VAL -0.0584
37
+ 25 CG2 23.8980 -2.5850 42.5640 C.3 1 VAL -0.0584
38
+ 26 N 25.3390 -5.3780 39.1040 N.am 1 ALA -0.2640
39
+ 27 CA 25.2100 -6.5130 38.1970 C.3 1 ALA 0.1282
40
+ 28 C 24.4450 -7.5890 38.9820 C.2 1 ALA 0.2037
41
+ 29 O 24.7360 -7.8350 40.1550 O.2 1 ALA -0.3944
42
+ 30 CB 26.6100 -7.0410 37.7890 C.3 1 ALA -0.0244
43
+ 31 N 23.4540 -8.2120 38.3680 N.am 1 THR -0.2613
44
+ 32 CA 22.7400 -9.2640 39.0740 C.3 1 THR 0.1565
45
+ 33 C 22.8910 -10.5600 38.2910 C.2 1 THR 0.2065
46
+ 34 O 23.0550 -10.5630 37.0740 O.2 1 THR -0.3943
47
+ 35 CB 21.2180 -8.9700 39.2220 C.3 1 THR 0.0924
48
+ 36 OG1 20.6150 -8.9520 37.9250 O.3 1 THR -0.3874
49
+ 37 CG2 20.9680 -7.6090 39.8980 C.3 1 THR -0.0346
50
+ 38 N 22.8490 -11.6680 39.0130 N.am 1 VAL -0.2634
51
+ 39 CA 22.9250 -12.9720 38.4040 C.3 1 VAL 0.1333
52
+ 40 C 22.0810 -13.8370 39.3200 C.2 1 VAL 0.2041
53
+ 41 O 21.9450 -13.5260 40.5030 O.2 1 VAL -0.3944
54
+ 42 CB 24.3900 -13.4700 38.3090 C.3 1 VAL -0.0063
55
+ 43 CG1 25.0320 -13.5620 39.7140 C.3 1 VAL -0.0584
56
+ 44 CG2 24.4370 -14.8050 37.5720 C.3 1 VAL -0.0584
57
+ 45 N 21.4970 -14.9100 38.7900 N.am 1 LYS -0.2637
58
+ 46 CA 20.6670 -15.7530 39.6350 C.3 1 LYS 0.1310
59
+ 47 C 21.3030 -17.0560 40.0540 C.2 1 LYS 0.2039
60
+ 48 O 22.1280 -17.6200 39.3330 O.2 1 LYS -0.3944
61
+ 49 CB 19.3330 -16.0570 38.9420 C.3 1 LYS -0.0122
62
+ 50 CG 18.4230 -14.8560 38.7800 C.3 1 LYS -0.0440
63
+ 51 CD 17.1950 -15.2020 37.9540 C.3 1 LYS -0.0124
64
+ 52 CE 16.3080 -13.9730 37.7580 C.3 1 LYS -0.0354
65
+ 53 NZ 15.0100 -14.2930 37.0820 N.4 1 LYS 0.2185
66
+ 54 N 20.9220 -17.5140 41.2430 N.am 1 GLU -0.2636
67
+ 55 CA 21.3680 -18.7980 41.7570 C.3 1 GLU 0.1325
68
+ 56 C 20.0870 -19.6110 41.9230 C.2 1 GLU 0.2040
69
+ 57 O 19.1920 -19.2270 42.6910 O.2 1 GLU -0.3944
70
+ 58 CB 22.0890 -18.6700 43.1040 C.3 1 GLU -0.0008
71
+ 59 CG 22.4010 -20.0550 43.7500 C.3 1 GLU 0.0044
72
+ 60 CD 23.1560 -21.0370 42.8190 C.2 1 GLU 0.0350
73
+ 61 OE1 24.3290 -20.8060 42.4770 O.co2 1 GLU -0.5690
74
+ 62 OE2 22.5800 -22.0580 42.4200 O.co2 1 GLU -0.5690
75
+ 63 N 20.0050 -20.7330 41.2150 N.am 1 ALA -0.2640
76
+ 64 CA 18.8150 -21.5630 41.2620 C.3 1 ALA 0.1282
77
+ 65 C 18.8590 -22.6990 42.2610 C.2 1 ALA 0.2034
78
+ 66 O 17.8360 -23.2930 42.5550 O.2 1 ALA -0.3944
79
+ 67 CB 18.5000 -22.1300 39.8540 C.3 1 ALA -0.0244
80
+ 68 N 20.0360 -23.0190 42.7740 N.am 1 GLY -0.2664
81
+ 69 CA 20.1190 -24.1140 43.7220 C.3 1 GLY 0.1201
82
+ 70 C 19.6250 -23.7980 45.1260 C.2 1 GLY 0.2007
83
+ 71 O 19.2580 -22.6640 45.4210 O.2 1 GLY -0.3947
84
+ 72 N 19.6150 -24.8250 45.9780 N.am 1 ARG -0.2640
85
+ 73 CA 19.2220 -24.7040 47.3730 C.3 1 ARG 0.1311
86
+ 74 C 20.1350 -23.6450 47.9940 C.2 1 ARG 0.2040
87
+ 75 O 21.3630 -23.6600 47.7990 O.2 1 ARG -0.3944
88
+ 76 CB 19.3870 -26.0570 48.0810 C.3 1 ARG -0.0092
89
+ 77 CG 19.4030 -26.0010 49.6130 C.3 1 ARG -0.0156
90
+ 78 CD 19.1410 -27.3950 50.2330 C.3 1 ARG 0.0627
91
+ 79 NE 17.7180 -27.7630 50.1980 N.pl3 1 ARG -0.2723
92
+ 80 CZ 16.7910 -27.2370 50.9980 C.cat 1 ARG 0.2882
93
+ 81 NH1 17.1300 -26.3210 51.9160 N.pl3 1 ARG -0.2849
94
+ 82 NH2 15.5150 -27.6030 50.8700 N.pl3 1 ARG -0.2849
95
+ 83 N 19.5280 -22.7290 48.7410 N.am 1 SER -0.2616
96
+ 84 CA 20.2650 -21.6240 49.3450 C.3 1 SER 0.1539
97
+ 85 C 20.7460 -21.8410 50.7710 C.2 1 SER 0.2062
98
+ 86 O 21.6350 -21.1370 51.2470 O.2 1 SER -0.3943
99
+ 87 CB 19.3910 -20.3710 49.3260 C.3 1 SER 0.0843
100
+ 88 OG 18.3120 -20.5160 50.2330 O.3 1 SER -0.3903
101
+ 89 N 20.1730 -22.8120 51.4550 N.am 1 ILE -0.2634
102
+ 90 CA 20.5250 -23.0220 52.8510 C.3 1 ILE 0.1335
103
+ 91 C 20.4010 -24.4880 53.1710 C.2 1 ILE 0.2043
104
+ 92 O 19.9240 -25.2610 52.3530 O.2 1 ILE -0.3944
105
+ 93 CB 19.5420 -22.2510 53.7870 C.3 1 ILE -0.0037
106
+ 94 CG1 18.0920 -22.6800 53.4440 C.3 1 ILE -0.0491
107
+ 95 CG2 19.7820 -20.7330 53.6690 C.3 1 ILE -0.0582
108
+ 96 CD1 16.9390 -21.8800 54.1180 C.3 1 ILE -0.0648
109
+ 97 N 20.8130 -24.8690 54.3700 N.am 1 HIS -0.2625
110
+ 98 CA 20.7040 -26.2620 54.7450 C.3 1 HIS 0.1369
111
+ 99 C 19.2360 -26.6800 54.8030 C.2 1 HIS 0.2054
112
+ 100 O 18.3270 -25.8470 54.9400 O.2 1 HIS -0.3942
113
+ 101 CB 21.3620 -26.4990 56.1080 C.3 1 HIS 0.0145
114
+ 102 CG 20.6720 -25.8170 57.2470 C.2 1 HIS -0.0027
115
+ 103 ND1 20.6620 -26.3360 58.5240 N.2 1 HIS -0.3252
116
+ 104 CD2 19.9750 -24.6550 57.3090 C.2 1 HIS 0.0291
117
+ 105 CE1 19.9870 -25.5250 59.3230 C.2 1 HIS 0.0907
118
+ 106 NE2 19.5600 -24.4980 58.6100 N.pl3 1 HIS -0.2752
119
+ 107 N 19.0020 -27.9770 54.6700 N.am 1 GLU -0.2635
120
+ 108 CA 17.6530 -28.4980 54.7810 C.3 1 GLU 0.1325
121
+ 109 C 17.5190 -29.1080 56.1800 C.2 1 GLU 0.2040
122
+ 110 O 18.2340 -30.0530 56.5240 O.2 1 GLU -0.3944
123
+ 111 CB 17.3820 -29.5830 53.7480 C.3 1 GLU -0.0008
124
+ 112 CG 15.9170 -29.9900 53.7610 C.3 1 GLU 0.0044
125
+ 113 CD 15.6050 -31.2040 52.9130 C.2 1 GLU 0.0350
126
+ 114 OE1 16.2350 -31.3840 51.8500 O.co2 1 GLU -0.5690
127
+ 115 OE2 14.6970 -31.9700 53.3070 O.co2 1 GLU -0.5690
128
+ 116 N 16.6210 -28.5450 56.9820 N.am 1 ILE -0.2635
129
+ 117 CA 16.3510 -29.0270 58.3300 C.3 1 ILE 0.1337
130
+ 118 C 15.5620 -30.3210 58.1870 C.2 1 ILE 0.2067
131
+ 119 O 14.5070 -30.3470 57.5680 O.2 1 ILE -0.3942
132
+ 120 CB 15.5160 -28.0120 59.1360 C.3 1 ILE -0.0037
133
+ 121 CG1 16.3870 -26.8030 59.4960 C.3 1 ILE -0.0491
134
+ 122 CG2 14.9160 -28.6830 60.3760 C.3 1 ILE -0.0582
135
+ 123 CD1 15.6530 -25.6800 60.2120 C.3 1 ILE -0.0648
136
+ 124 N 16.0560 -31.4130 58.7840 N.am 1 PRO -0.2498
137
+ 125 CA 15.3870 -32.7140 58.6980 C.3 1 PRO 0.1337
138
+ 126 C 14.0560 -32.8590 59.4290 C.2 1 PRO 0.2035
139
+ 127 O 13.7710 -32.1240 60.3820 O.2 1 PRO -0.3944
140
+ 128 CB 16.4530 -33.6660 59.2220 C.3 1 PRO -0.0104
141
+ 129 CG 17.1320 -32.8540 60.2520 C.3 1 PRO -0.0281
142
+ 130 CD 17.2900 -31.5130 59.5790 C.3 1 PRO 0.0369
143
+ 131 N 13.2380 -33.8040 58.9620 N.am 1 ARG -0.2695
144
+ 132 CA 11.9430 -34.0630 59.5990 C.3 1 ARG 0.0945
145
+ 133 C 12.1830 -34.6420 60.9980 C.2 1 ARG 0.0601
146
+ 134 O 13.2910 -35.1780 61.2320 O.co2 1 ARG -0.5666
147
+ 135 CB 11.1130 -35.0610 58.7850 C.3 1 ARG -0.0148
148
+ 136 CG 10.8120 -34.6120 57.3880 C.3 1 ARG -0.0162
149
+ 137 CD 9.9330 -35.6030 56.6640 C.3 1 ARG 0.0627
150
+ 138 NE 9.8500 -35.3180 55.2350 N.pl3 1 ARG -0.2723
151
+ 139 CZ 10.8990 -35.3020 54.4150 C.cat 1 ARG 0.2882
152
+ 140 NH1 12.1150 -35.5500 54.8840 N.pl3 1 ARG -0.2849
153
+ 141 NH2 10.7360 -35.0540 53.1190 N.pl3 1 ARG -0.2849
154
+ 142 OXT 11.2550 -34.5610 61.8380 O.co2 1 ARG -0.5666
155
+ 143 H1 29.5989 6.1269 43.4899 H 1 GLY 0.2012
156
+ 144 H2 29.1077 6.2158 41.9214 H 1 GLY 0.2012
157
+ 145 H3 30.4529 5.3527 42.3149 H 1 GLY 0.2012
158
+ 146 H4 27.6899 4.7072 43.1450 H 1 GLY 0.1061
159
+ 147 H5 29.1580 3.7653 43.5744 H 1 GLY 0.1061
160
+ 148 H6 27.3073 2.3203 42.3466 H 1 SER 0.1885
161
+ 149 H7 27.7895 2.3914 39.4593 H 1 SER 0.0823
162
+ 150 H8 29.7481 1.2116 40.3290 H 1 SER 0.0606
163
+ 151 H9 28.6926 0.0764 39.4214 H 1 SER 0.0606
164
+ 152 H10 29.3960 -0.7725 41.4427 H 1 SER 0.2097
165
+ 153 H11 26.7099 0.8274 38.1848 H 1 LEU 0.1883
166
+ 154 H12 23.9895 0.2731 39.1888 H 1 LEU 0.0800
167
+ 155 H13 23.5770 -0.4848 36.8751 H 1 LEU 0.0315
168
+ 156 H14 25.3178 -0.2611 36.4925 H 1 LEU 0.0315
169
+ 157 H15 25.0878 2.1739 37.0139 H 1 LEU 0.0298
170
+ 158 H16 23.8020 2.7324 34.9585 H 1 LEU 0.0232
171
+ 159 H17 23.1338 1.0652 34.9317 H 1 LEU 0.0232
172
+ 160 H18 24.8954 1.3306 34.7015 H 1 LEU 0.0232
173
+ 161 H19 23.1634 2.0217 38.5951 H 1 LEU 0.0232
174
+ 162 H20 22.0898 1.5302 37.2414 H 1 LEU 0.0232
175
+ 163 H21 22.8217 3.1705 37.2572 H 1 LEU 0.0232
176
+ 164 H22 23.6608 -1.5231 40.2607 H 1 VAL 0.1883
177
+ 165 H23 25.6270 -3.5090 40.5717 H 1 VAL 0.0802
178
+ 166 H24 22.6603 -3.7805 41.2614 H 1 VAL 0.0343
179
+ 167 H25 23.5385 -5.2665 43.0501 H 1 VAL 0.0234
180
+ 168 H26 25.2062 -5.0240 42.4284 H 1 VAL 0.0234
181
+ 169 H27 23.9838 -5.8652 41.4161 H 1 VAL 0.0234
182
+ 170 H28 23.5897 -1.6333 42.1066 H 1 VAL 0.0234
183
+ 171 H29 24.9544 -2.5223 42.8640 H 1 VAL 0.0234
184
+ 172 H30 23.2766 -2.7845 43.4494 H 1 VAL 0.0234
185
+ 173 H31 26.1922 -5.2336 39.6052 H 1 ALA 0.1883
186
+ 174 H32 24.6495 -6.2227 37.2961 H 1 ALA 0.0797
187
+ 175 H33 26.4948 -7.8955 37.1060 H 1 ALA 0.0277
188
+ 176 H34 27.1574 -7.3612 38.6878 H 1 ALA 0.0277
189
+ 177 H35 27.1708 -6.2408 37.2838 H 1 ALA 0.0277
190
+ 178 H36 23.1994 -7.9640 37.4333 H 1 THR 0.1884
191
+ 179 H37 23.1798 -9.3802 40.0755 H 1 THR 0.0826
192
+ 180 H38 20.7586 -9.7630 39.8304 H 1 THR 0.0639
193
+ 181 H39 21.0216 -8.2746 37.3974 H 1 THR 0.2101
194
+ 182 H40 19.8851 -7.4363 39.9852 H 1 THR 0.0257
195
+ 183 H41 21.4190 -6.8099 39.2914 H 1 THR 0.0257
196
+ 184 H42 21.4212 -7.6087 40.9003 H 1 THR 0.0257
197
+ 185 H43 22.7623 -11.5988 40.0068 H 1 VAL 0.1883
198
+ 186 H44 22.4926 -12.9508 37.3928 H 1 VAL 0.0802
199
+ 187 H45 24.9652 -12.7378 37.7233 H 1 VAL 0.0343
200
+ 188 H46 26.0690 -13.9168 39.6207 H 1 VAL 0.0234
201
+ 189 H47 24.4580 -14.2662 40.3341 H 1 VAL 0.0234
202
+ 190 H48 25.0255 -12.5684 40.1859 H 1 VAL 0.0234
203
+ 191 H49 23.9715 -14.6936 36.5816 H 1 VAL 0.0234
204
+ 192 H50 23.8895 -15.5631 38.1512 H 1 VAL 0.0234
205
+ 193 H51 25.4838 -15.1208 37.4517 H 1 VAL 0.0234
206
+ 194 H52 21.6276 -15.1329 37.8239 H 1 LYS 0.1883
207
+ 195 H53 20.4564 -15.1818 40.5512 H 1 LYS 0.0800
208
+ 196 H54 18.8009 -16.8138 39.5371 H 1 LYS 0.0312
209
+ 197 H55 19.5492 -16.4620 37.9424 H 1 LYS 0.0312
210
+ 198 H56 18.9783 -14.0508 38.2767 H 1 LYS 0.0269
211
+ 199 H57 18.1011 -14.5134 39.7745 H 1 LYS 0.0269
212
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+ $$$$
1r2b/1r2b_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1r2b/1r2b_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1str/1str_ligand.mol2 ADDED
@@ -0,0 +1,209 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:45 2018
3
+ ###
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+
5
+ @<TRIPOS>MOLECULE
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1str/1str_ligand.sdf ADDED
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1str/1str_protein_processed_fix.pdb ADDED
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1ur9/1ur9_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1ur9/1ur9_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1v2h/1v2h_ligand.mol2 ADDED
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2d1n/2d1n_protein_esmfold_aligned_tr_fix.pdb ADDED
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2d1n/2d1n_protein_processed_fix.pdb ADDED
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2w1h/2w1h_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2w1h/2w1h_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2xxy/2xxy_ligand.mol2 ADDED
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+ ### Created by X-TOOL on Mon Sep 10 21:13:07 2018
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+ -7.5570 1.0245 -25.7297 H 0 0 0 0 0
38
+ 2 1 1 0 0 0
39
+ 5 1 1 0 0 0
40
+ 8 2 1 0 0 0
41
+ 10 3 1 0 0 0
42
+ 10 4 1 0 0 0
43
+ 6 5 1 0 0 0
44
+ 5 11 1 0 0 0
45
+ 6 7 1 0 0 0
46
+ 8 6 1 0 0 0
47
+ 7 9 1 0 0 0
48
+ 8 10 1 0 0 0
49
+ 9 13 2 0 0 0
50
+ 9 14 1 0 0 0
51
+ 11 12 1 0 0 0
52
+ 11 15 2 0 0 0
53
+ 1 16 1 0 0 0
54
+ 1 17 1 0 0 0
55
+ 2 18 1 0 0 0
56
+ 2 19 1 0 0 0
57
+ 3 20 1 0 0 0
58
+ 3 21 1 0 0 0
59
+ 3 22 1 0 0 0
60
+ 4 23 1 0 0 0
61
+ 4 24 1 0 0 0
62
+ 4 25 1 0 0 0
63
+ 5 26 1 0 0 0
64
+ 6 27 1 0 0 0
65
+ 7 28 1 0 0 0
66
+ 7 29 1 0 0 0
67
+ 8 30 1 0 0 0
68
+ 10 31 1 0 0 0
69
+ 12 32 1 0 0 0
70
+ 14 33 1 0 0 0
71
+ M END
72
+ $$$$