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THU-ATOM
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PDBbind

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linbc20 commited on
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Add batch 116

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  1. 1a2c/1a2c_ligand.mol2 +202 -0
  2. 1a2c/1a2c_ligand.sdf +190 -0
  3. 1a2c/1a2c_protein_esmfold_aligned_tr_fix.pdb +0 -0
  4. 1a2c/1a2c_protein_processed_fix.pdb +0 -0
  5. 1avp/1avp_ligand.mol2 +412 -0
  6. 1avp/1avp_ligand.sdf +398 -0
  7. 1avp/1avp_protein_esmfold_aligned_tr_fix.pdb +0 -0
  8. 1avp/1avp_protein_processed_fix.pdb +0 -0
  9. 1g74/1g74_ligand.mol2 +121 -0
  10. 1g74/1g74_ligand.sdf +113 -0
  11. 1g74/1g74_protein_esmfold_aligned_tr_fix.pdb +1019 -0
  12. 1g74/1g74_protein_processed_fix.pdb +0 -0
  13. 1i6v/1i6v_protein_esmfold_aligned_tr_fix.pdb +0 -0
  14. 1i6v/1i6v_protein_processed_fix.pdb +0 -0
  15. 1ikt/1ikt_ligand.mol2 +138 -0
  16. 1ikt/1ikt_ligand.sdf +128 -0
  17. 1ikt/1ikt_protein_esmfold_aligned_tr_fix.pdb +901 -0
  18. 1ikt/1ikt_protein_processed_fix.pdb +0 -0
  19. 1mfg/1mfg_ligand.mol2 +301 -0
  20. 1mfg/1mfg_ligand.sdf +297 -0
  21. 1mfg/1mfg_protein_esmfold_aligned_tr_fix.pdb +728 -0
  22. 1mfg/1mfg_protein_processed_fix.pdb +0 -0
  23. 1qi0/1qi0_protein_esmfold_aligned_tr_fix.pdb +0 -0
  24. 1qi0/1qi0_protein_processed_fix.pdb +0 -0
  25. 1qq9/1qq9_ligand.mol2 +55 -0
  26. 1qq9/1qq9_ligand.sdf +47 -0
  27. 1qq9/1qq9_protein_esmfold_aligned_tr_fix.pdb +0 -0
  28. 1qq9/1qq9_protein_processed_fix.pdb +0 -0
  29. 2ito/2ito_ligand.mol2 +131 -0
  30. 2ito/2ito_ligand.sdf +121 -0
  31. 2ito/2ito_protein_esmfold_aligned_tr_fix.pdb +0 -0
  32. 2ito/2ito_protein_processed_fix.pdb +0 -0
  33. 2owb/2owb_ligand.mol2 +138 -0
  34. 2owb/2owb_ligand.sdf +126 -0
  35. 2owb/2owb_protein_esmfold_aligned_tr_fix.pdb +0 -0
  36. 2owb/2owb_protein_processed_fix.pdb +0 -0
  37. 2pe2/2pe2_protein_esmfold_aligned_tr_fix.pdb +0 -0
  38. 2pe2/2pe2_protein_processed_fix.pdb +0 -0
  39. 2uuo/2uuo_ligand.mol2 +121 -0
  40. 2uuo/2uuo_ligand.sdf +115 -0
  41. 2uuo/2uuo_protein_processed_fix.pdb +0 -0
  42. 2vo7/2vo7_protein_esmfold_aligned_tr_fix.pdb +0 -0
  43. 2vo7/2vo7_protein_processed_fix.pdb +0 -0
  44. 2vpo/2vpo_ligand.mol2 +56 -0
  45. 2vpo/2vpo_ligand.sdf +48 -0
  46. 2vpo/2vpo_protein_esmfold_aligned_tr_fix.pdb +0 -0
  47. 2vpo/2vpo_protein_processed_fix.pdb +0 -0
  48. 2z94/2z94_ligand.mol2 +50 -0
  49. 2z94/2z94_ligand.sdf +40 -0
  50. 2z94/2z94_protein_esmfold_aligned_tr_fix.pdb +0 -0
1a2c/1a2c_ligand.mol2 ADDED
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+ M END
190
+ $$$$
1a2c/1a2c_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1a2c/1a2c_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1avp/1avp_ligand.mol2 ADDED
@@ -0,0 +1,412 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:45 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 1avp_ligand
7
+ 198 198 1 0 0
8
+ SMALL
9
+ GAST_HUCK
10
+
11
+
12
+ @<TRIPOS>ATOM
13
+ 1 N -4.9480 63.2280 39.2840 N.4 1 GLY 0.2357
14
+ 2 CA -5.1580 62.3770 38.1120 C.3 1 GLY 0.0545
15
+ 3 C -4.9090 60.9280 38.4450 C.2 1 GLY 0.2236
16
+ 4 O -4.7970 60.5810 39.6160 O.2 1 GLY -0.3910
17
+ 5 H1 -5.1203 64.1897 39.0361 H 1 GLY 0.2012
18
+ 6 H2 -3.9977 63.1289 39.6053 H 1 GLY 0.2012
19
+ 7 H3 -5.5814 62.9516 40.0178 H 1 GLY 0.2012
20
+ 8 N -4.8280 60.0800 37.4260 N.am 1 VAL -0.2610
21
+ 9 CA -4.5920 58.6630 37.6480 C.3 1 VAL 0.1334
22
+ 10 C -3.3880 58.1600 36.8730 C.2 1 VAL 0.2042
23
+ 11 O -3.0090 58.7210 35.8440 O.2 1 VAL -0.3944
24
+ 12 CB -5.8200 57.7920 37.2530 C.3 1 VAL -0.0063
25
+ 13 CG1 -7.0490 58.2460 37.9990 C.3 1 VAL -0.0584
26
+ 14 CG2 -6.0720 57.8600 35.7660 C.3 1 VAL -0.0584
27
+ 15 H4 -4.4669 62.6866 37.3141 H 1 GLY 0.1061
28
+ 16 N -2.7550 57.1270 37.4020 N.am 1 GLN -0.2636
29
+ 17 CA -1.6280 56.5320 36.7280 C.3 1 GLN 0.1330
30
+ 18 C -2.2180 55.5780 35.7080 C.2 1 GLN 0.2041
31
+ 19 O -3.2950 55.0060 35.9180 O.2 1 GLN -0.3944
32
+ 20 CB -0.7380 55.7990 37.7140 C.3 1 GLN 0.0045
33
+ 21 CG 0.0740 56.7270 38.5680 C.3 1 GLN 0.0412
34
+ 22 CD 0.9110 57.6660 37.7300 C.2 1 GLN 0.1737
35
+ 23 OE1 1.9840 57.2950 37.2450 O.2 1 GLN -0.3973
36
+ 24 NE2 0.4080 58.8870 37.5260 N.am 1 GLN -0.3009
37
+ 25 H5 -6.1951 62.4931 37.7643 H 1 GLY 0.1061
38
+ 26 H6 -4.9309 60.4216 36.4918 H 1 VAL 0.1884
39
+ 27 H7 -4.3981 58.5220 38.7216 H 1 VAL 0.0802
40
+ 28 N -1.5340 55.4240 34.5870 N.am 1 SER -0.2616
41
+ 29 CA -2.0190 54.5590 33.5290 C.3 1 SER 0.1539
42
+ 30 C -0.9650 53.5410 33.1080 C.2 1 SER 0.2062
43
+ 31 O 0.1700 53.5820 33.5660 O.2 1 SER -0.3943
44
+ 32 CB -2.4820 55.4020 32.3400 C.3 1 SER 0.0843
45
+ 33 OG -1.4660 56.3020 31.9310 O.3 1 SER -0.3903
46
+ 34 H8 -5.6082 56.7475 37.5254 H 1 VAL 0.0343
47
+ 35 H9 -7.9061 57.6208 37.7084 H 1 VAL 0.0234
48
+ 36 N -1.3540 52.6340 32.2270 N.am 1 LEU -0.2636
49
+ 37 CA -0.4760 51.5860 31.7410 C.3 1 LEU 0.1312
50
+ 38 C -0.5760 51.5660 30.2140 C.2 1 LEU 0.2039
51
+ 39 O -1.6820 51.5120 29.6700 O.2 1 LEU -0.3944
52
+ 40 CB -0.9670 50.2630 32.3270 C.3 1 LEU -0.0101
53
+ 41 CG -0.5420 48.9140 31.7720 C.3 1 LEU -0.0425
54
+ 42 CD1 0.9160 48.6500 32.1030 C.3 1 LEU -0.0625
55
+ 43 CD2 -1.4420 47.8480 32.3850 C.3 1 LEU -0.0625
56
+ 44 H10 -7.2610 59.2966 37.7515 H 1 VAL 0.0234
57
+ 45 N 0.5630 51.6760 29.5330 N.am 1 LYS -0.2637
58
+ 46 CA 0.6060 51.6540 28.0710 C.3 1 LYS 0.1310
59
+ 47 C 1.0560 50.2840 27.5670 C.2 1 LYS 0.2039
60
+ 48 O 2.0780 49.7740 28.0150 O.2 1 LYS -0.3944
61
+ 49 CB 1.5810 52.7000 27.5330 C.3 1 LYS -0.0122
62
+ 50 CG 1.3280 54.1210 27.9740 C.3 1 LYS -0.0440
63
+ 51 CD 1.9570 55.0880 26.9790 C.3 1 LYS -0.0124
64
+ 52 CE 1.8250 56.5350 27.4280 C.3 1 LYS -0.0354
65
+ 53 NZ 2.6770 56.8600 28.6210 N.4 1 LYS 0.2185
66
+ 54 H11 -6.8767 58.1518 39.0813 H 1 VAL 0.0234
67
+ 55 H12 -5.1729 57.5280 35.2262 H 1 VAL 0.0234
68
+ 56 H13 -6.3090 58.8957 35.4812 H 1 VAL 0.0234
69
+ 57 H14 -6.9176 57.2058 35.5071 H 1 VAL 0.0234
70
+ 58 N 0.3010 49.7120 26.6290 N.am 1 ARG -0.2637
71
+ 59 CA 0.6110 48.4130 26.0250 C.3 1 ARG 0.1311
72
+ 60 C 0.4760 48.5470 24.5120 C.2 1 ARG 0.2039
73
+ 61 O -0.4880 49.1280 24.0220 O.2 1 ARG -0.3944
74
+ 62 CB -0.3940 47.3350 26.4420 C.3 1 ARG -0.0092
75
+ 63 CG -0.4710 46.9030 27.9060 C.3 1 ARG -0.0156
76
+ 64 CD -1.6660 45.9430 27.9960 C.3 1 ARG 0.0627
77
+ 65 NE -2.0040 45.4300 29.3320 N.pl3 1 ARG -0.2723
78
+ 66 CZ -3.2520 45.2870 29.7910 C.cat 1 ARG 0.2882
79
+ 67 NH1 -4.2960 45.6380 29.0370 N.pl3 1 ARG -0.2849
80
+ 68 NH2 -3.4600 44.7250 30.9790 N.pl3 1 ARG -0.2849
81
+ 69 H15 -3.0609 56.7547 38.2782 H 1 GLN 0.1883
82
+ 70 H16 -1.0373 57.3087 36.2202 H 1 GLN 0.0801
83
+ 71 H17 -0.0518 55.1488 37.1515 H 1 GLN 0.0337
84
+ 72 H18 -1.3721 55.1835 38.3691 H 1 GLN 0.0337
85
+ 73 H19 0.7401 56.1310 39.2091 H 1 GLN 0.0504
86
+ 74 H20 -0.6061 57.3202 39.1969 H 1 GLN 0.0504
87
+ 75 N 1.4330 48.0100 23.7710 N.am 1 ARG -0.2637
88
+ 76 CA 1.3680 48.0370 22.3160 C.3 1 ARG 0.1311
89
+ 77 C 0.4930 46.8460 21.9430 C.2 1 ARG 0.2039
90
+ 78 O 0.5720 45.7990 22.5700 O.2 1 ARG -0.3944
91
+ 79 CB 2.7580 47.8370 21.7240 C.3 1 ARG -0.0092
92
+ 80 CG 3.1860 48.8930 20.7090 C.3 1 ARG -0.0156
93
+ 81 CD 2.3480 48.8540 19.4420 C.3 1 ARG 0.0627
94
+ 82 NE 3.1660 49.1420 18.2590 N.pl3 1 ARG -0.2723
95
+ 83 CZ 4.0040 48.2750 17.6920 C.cat 1 ARG 0.2882
96
+ 84 NH1 4.1540 47.0570 18.2000 N.pl3 1 ARG -0.2849
97
+ 85 NH2 4.6610 48.6110 16.5860 N.pl3 1 ARG -0.2849
98
+ 86 H21 0.9165 59.5523 36.9793 H 1 GLN 0.1814
99
+ 87 H22 -0.4769 59.1355 37.9200 H 1 GLN 0.1814
100
+ 88 H23 -0.6691 55.9114 34.4670 H 1 SER 0.1884
101
+ 89 H24 -2.8873 54.0039 33.9136 H 1 SER 0.0823
102
+ 90 H25 -3.3748 55.9750 32.6308 H 1 SER 0.0606
103
+ 91 H26 -2.7313 54.7353 31.5013 H 1 SER 0.0606
104
+ 92 N -0.3500 46.9970 20.9370 N.am 1 ARG -0.2637
105
+ 93 CA -1.2210 45.9040 20.5200 C.3 1 ARG 0.1311
106
+ 94 C -1.2890 45.9210 19.0060 C.2 1 ARG 0.2039
107
+ 95 O -1.7070 46.9130 18.4010 O.2 1 ARG -0.3944
108
+ 96 CB -2.6380 46.0810 21.1080 C.3 1 ARG -0.0092
109
+ 97 CG -2.7370 46.0580 22.6330 C.3 1 ARG -0.0156
110
+ 98 CD -2.3580 44.7070 23.2180 C.3 1 ARG 0.0627
111
+ 99 NE -3.4020 43.7030 23.0150 N.pl3 1 ARG -0.2723
112
+ 100 CZ -3.3230 42.6970 22.1470 C.cat 1 ARG 0.2882
113
+ 101 NH1 -2.2420 42.5540 21.3860 N.pl3 1 ARG -0.2849
114
+ 102 NH2 -4.3210 41.8290 22.0450 N.pl3 1 ARG -0.2849
115
+ 103 H27 -1.7760 56.8136 31.1929 H 1 SER 0.2097
116
+ 104 H28 -2.2917 52.6722 31.8818 H 1 LEU 0.1883
117
+ 105 H29 0.5628 51.7746 32.0497 H 1 LEU 0.0800
118
+ 106 H30 -2.0646 50.2883 32.2597 H 1 LEU 0.0315
119
+ 107 H31 -0.6642 50.2668 33.3845 H 1 LEU 0.0315
120
+ 108 H32 -0.6660 48.9107 30.6790 H 1 LEU 0.0298
121
+ 109 N -0.7940 44.8590 18.3920 N.am 1 CYS -0.2629
122
+ 110 CA -0.8120 44.7480 16.9450 C.3 1 CYS 0.1396
123
+ 111 C -1.6950 43.5550 16.6280 C.2 1 CYS 0.2043
124
+ 112 O -1.7050 42.5620 17.3540 O.2 1 CYS -0.3944
125
+ 113 CB 0.5960 44.5340 16.4110 C.3 1 CYS 0.0311
126
+ 114 SG 1.6630 46.0070 16.5660 S.3 1 CYS -0.1735
127
+ 115 H33 1.2128 47.6718 31.6969 H 1 LEU 0.0232
128
+ 116 N -2.4870 43.6870 15.5800 N.am 1 PHE -0.2677
129
+ 117 CA -3.4140 42.6410 15.2060 C.3 1 PHE 0.1039
130
+ 118 C -3.2790 42.3000 13.7370 C.2 1 PHE 0.0621
131
+ 119 O -4.0950 41.4560 13.2780 O.co2 1 PHE -0.5664
132
+ 120 CB -4.8660 43.0560 15.5410 C.3 1 PHE 0.0159
133
+ 121 CG -5.1010 43.3700 16.9940 C.ar 1 PHE -0.0392
134
+ 122 CD1 -4.7240 44.6040 17.5330 C.ar 1 PHE -0.0602
135
+ 123 CD2 -5.6700 42.4280 17.8350 C.ar 1 PHE -0.0602
136
+ 124 CE1 -4.9070 44.8690 18.9040 C.ar 1 PHE -0.0686
137
+ 125 CE2 -5.8550 42.6820 19.1860 C.ar 1 PHE -0.0686
138
+ 126 CZ -5.4680 43.8990 19.7230 C.ar 1 PHE -0.0687
139
+ 127 OXT -2.3720 42.8650 13.0640 O.co2 1 PHE -0.5664
140
+ 128 H34 1.0499 48.6497 33.1948 H 1 LEU 0.0232
141
+ 129 H35 1.5416 49.4372 31.6571 H 1 LEU 0.0232
142
+ 130 H36 -2.4904 48.0627 32.1305 H 1 LEU 0.0232
143
+ 131 H37 -1.3221 47.8514 33.4784 H 1 LEU 0.0232
144
+ 132 H38 -1.1633 46.8605 31.9886 H 1 LEU 0.0232
145
+ 133 H39 1.4195 51.7773 30.0391 H 1 LYS 0.1883
146
+ 134 H40 -0.4019 51.8688 27.6863 H 1 LYS 0.0800
147
+ 135 H41 1.5321 52.6737 26.4344 H 1 LYS 0.0312
148
+ 136 H42 2.5925 52.4195 27.8619 H 1 LYS 0.0312
149
+ 137 H43 1.7715 54.2797 28.9681 H 1 LYS 0.0269
150
+ 138 H44 0.2439 54.3010 28.0231 H 1 LYS 0.0269
151
+ 139 H45 1.4571 54.9713 26.0061 H 1 LYS 0.0317
152
+ 140 H46 3.0247 54.8449 26.8742 H 1 LYS 0.0317
153
+ 141 H47 0.7731 56.7273 27.6859 H 1 LYS 0.0813
154
+ 142 H48 2.1239 57.1889 26.5955 H 1 LYS 0.0813
155
+ 143 H49 2.5487 57.8278 28.8718 H 1 LYS 0.1994
156
+ 144 H50 3.6460 56.6967 28.3964 H 1 LYS 0.1994
157
+ 145 H51 2.4082 56.2737 29.3956 H 1 LYS 0.1994
158
+ 146 H52 -0.5194 50.1941 26.3215 H 1 ARG 0.1883
159
+ 147 H53 1.6308 48.1085 26.3030 H 1 ARG 0.0800
160
+ 148 H54 -0.1595 46.4348 25.8549 H 1 ARG 0.0313
161
+ 149 H55 -1.3924 47.7040 26.1645 H 1 ARG 0.0313
162
+ 150 H56 -0.6314 47.7763 28.5553 H 1 ARG 0.0301
163
+ 151 H57 0.4556 46.3902 28.2034 H 1 ARG 0.0301
164
+ 152 H58 -1.4474 45.0779 27.3527 H 1 ARG 0.0689
165
+ 153 H59 -2.5490 46.4733 27.6098 H 1 ARG 0.0689
166
+ 154 H60 -1.2286 45.1633 29.9553 H 1 ARG 0.2642
167
+ 155 H61 -5.2537 45.5244 29.3985 H 1 ARG 0.2615
168
+ 156 H62 -4.1439 46.0224 28.0936 H 1 ARG 0.2615
169
+ 157 H63 -2.6595 44.4514 31.5665 H 1 ARG 0.2615
170
+ 158 H64 -4.4215 44.5635 31.3111 H 1 ARG 0.2615
171
+ 159 H65 2.2155 47.5775 24.2189 H 1 ARG 0.1883
172
+ 160 H66 0.9332 48.9813 21.9565 H 1 ARG 0.0800
173
+ 161 H67 2.7785 46.8567 21.2254 H 1 ARG 0.0313
174
+ 162 H68 3.4846 47.8436 22.5498 H 1 ARG 0.0313
175
+ 163 H69 4.2387 48.7192 20.4414 H 1 ARG 0.0301
176
+ 164 H70 3.0839 49.8869 21.1692 H 1 ARG 0.0301
177
+ 165 H71 1.5480 49.6052 19.5171 H 1 ARG 0.0689
178
+ 166 H72 1.9030 47.8536 19.3362 H 1 ARG 0.0689
179
+ 167 H73 3.0872 50.0786 17.8377 H 1 ARG 0.2642
180
+ 168 H74 4.8032 46.3909 17.7576 H 1 ARG 0.2615
181
+ 169 H75 3.6211 46.7786 19.0363 H 1 ARG 0.2615
182
+ 170 H76 4.5491 49.5539 16.1869 H 1 ARG 0.2615
183
+ 171 H77 5.2819 47.9284 16.1283 H 1 ARG 0.2615
184
+ 172 H78 -0.3914 47.8723 20.4551 H 1 ARG 0.1883
185
+ 173 H79 -0.8031 44.9464 20.8640 H 1 ARG 0.0800
186
+ 174 H80 -3.2686 45.2688 20.7173 H 1 ARG 0.0313
187
+ 175 H81 -3.0287 47.0485 20.7598 H 1 ARG 0.0313
188
+ 176 H82 -3.7721 46.2908 22.9234 H 1 ARG 0.0301
189
+ 177 H83 -2.0605 46.8226 23.0425 H 1 ARG 0.0301
190
+ 178 H84 -2.1854 44.8247 24.2980 H 1 ARG 0.0689
191
+ 179 H85 -1.4333 44.3588 22.7346 H 1 ARG 0.0689
192
+ 180 H86 -4.2577 43.7797 23.5831 H 1 ARG 0.2642
193
+ 181 H87 -2.1838 41.7745 20.7152 H 1 ARG 0.2615
194
+ 182 H88 -1.4628 43.2227 21.4673 H 1 ARG 0.2615
195
+ 183 H89 -5.1597 41.9371 22.6331 H 1 ARG 0.2615
196
+ 184 H90 -4.2572 41.0470 21.3777 H 1 ARG 0.2615
197
+ 185 H91 -0.3996 44.1180 18.9356 H 1 CYS 0.1884
198
+ 186 H92 -1.2342 45.6607 16.4992 H 1 CYS 0.0808
199
+ 187 H93 0.5278 44.2635 15.3470 H 1 CYS 0.0422
200
+ 188 H94 1.0591 43.7078 16.9704 H 1 CYS 0.0422
201
+ 189 H95 1.2560 46.7711 16.0497 H 1 CYS 0.1019
202
+ 190 H96 -2.4455 44.5245 15.0352 H 1 PHE 0.1877
203
+ 191 H97 -3.1703 41.7414 15.7903 H 1 PHE 0.0749
204
+ 192 H98 -5.5349 42.2311 15.2543 H 1 PHE 0.0467
205
+ 193 H99 -5.1134 43.9507 14.9509 H 1 PHE 0.0467
206
+ 194 H100 -4.2882 45.3614 16.8915 H 1 PHE 0.0557
207
+ 195 H101 -5.9775 41.4713 17.4285 H 1 PHE 0.0557
208
+ 196 H102 -4.6110 45.8262 19.3178 H 1 PHE 0.0599
209
+ 197 H103 -6.3029 41.9274 19.8224 H 1 PHE 0.0599
210
+ 198 H104 -5.6031 44.0933 20.7809 H 1 PHE 0.0559
211
+ @<TRIPOS>BOND
212
+ 1 1 2 1
213
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214
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215
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216
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217
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218
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219
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220
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221
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222
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223
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224
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225
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226
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227
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234
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1avp/1avp_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1avp/1avp_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
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4
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+ ATOM 24 O PHE A 4 -32.860 61.158 -7.750 1.00 0.00 O
26
+ ATOM 25 CG PHE A 4 -31.797 63.654 -4.262 1.00 0.00 C
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+ ATOM 26 CD1 PHE A 4 -32.930 63.597 -3.459 1.00 0.00 C
28
+ ATOM 27 CD2 PHE A 4 -30.620 64.159 -3.723 1.00 0.00 C
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+ ATOM 30 CZ PHE A 4 -31.709 64.538 -1.613 1.00 0.00 C
32
+ ATOM 31 N VAL A 5 -30.613 61.057 -8.038 1.00 0.00 N
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+ ATOM 32 CA VAL A 5 -30.704 60.786 -9.469 1.00 0.00 C
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+ ATOM 33 C VAL A 5 -31.493 59.500 -9.702 1.00 0.00 C
35
+ ATOM 34 CB VAL A 5 -29.305 60.677 -10.117 1.00 0.00 C
36
+ ATOM 35 O VAL A 5 -31.276 58.497 -9.016 1.00 0.00 O
37
+ ATOM 36 CG1 VAL A 5 -29.414 60.168 -11.553 1.00 0.00 C
38
+ ATOM 37 CG2 VAL A 5 -28.593 62.028 -10.077 1.00 0.00 C
39
+ ATOM 38 N GLY A 6 -32.373 59.582 -10.633 1.00 0.00 N
40
+ ATOM 39 CA GLY A 6 -33.175 58.422 -10.990 1.00 0.00 C
41
+ ATOM 40 C GLY A 6 -34.625 58.766 -11.277 1.00 0.00 C
42
+ ATOM 41 O GLY A 6 -34.992 59.941 -11.327 1.00 0.00 O
43
+ ATOM 42 N THR A 7 -35.345 57.777 -11.616 1.00 0.00 N
44
+ ATOM 43 CA THR A 7 -36.785 57.891 -11.818 1.00 0.00 C
45
+ ATOM 44 C THR A 7 -37.544 57.404 -10.588 1.00 0.00 C
46
+ ATOM 45 CB THR A 7 -37.240 57.096 -13.056 1.00 0.00 C
47
+ ATOM 46 O THR A 7 -37.261 56.325 -10.065 1.00 0.00 O
48
+ ATOM 47 CG2 THR A 7 -38.740 57.246 -13.284 1.00 0.00 C
49
+ ATOM 48 OG1 THR A 7 -36.541 57.577 -14.210 1.00 0.00 O
50
+ ATOM 49 N TRP A 8 -38.414 58.259 -10.193 1.00 0.00 N
51
+ ATOM 50 CA TRP A 8 -39.208 57.999 -8.996 1.00 0.00 C
52
+ ATOM 51 C TRP A 8 -40.698 58.003 -9.319 1.00 0.00 C
53
+ ATOM 52 CB TRP A 8 -38.904 59.039 -7.913 1.00 0.00 C
54
+ ATOM 53 O TRP A 8 -41.194 58.920 -9.978 1.00 0.00 O
55
+ ATOM 54 CG TRP A 8 -37.452 59.140 -7.556 1.00 0.00 C
56
+ ATOM 55 CD1 TRP A 8 -36.508 59.923 -8.160 1.00 0.00 C
57
+ ATOM 56 CD2 TRP A 8 -36.778 58.429 -6.514 1.00 0.00 C
58
+ ATOM 57 CE2 TRP A 8 -35.423 58.831 -6.542 1.00 0.00 C
59
+ ATOM 58 CE3 TRP A 8 -37.187 57.490 -5.557 1.00 0.00 C
60
+ ATOM 59 NE1 TRP A 8 -35.286 59.742 -7.556 1.00 0.00 N
61
+ ATOM 60 CH2 TRP A 8 -34.902 57.409 -4.723 1.00 0.00 C
62
+ ATOM 61 CZ2 TRP A 8 -34.476 58.325 -5.649 1.00 0.00 C
63
+ ATOM 62 CZ3 TRP A 8 -36.242 56.989 -4.669 1.00 0.00 C
64
+ ATOM 63 N LYS A 9 -41.395 56.976 -8.820 1.00 0.00 N
65
+ ATOM 64 CA LYS A 9 -42.824 56.825 -9.081 1.00 0.00 C
66
+ ATOM 65 C LYS A 9 -43.648 57.140 -7.836 1.00 0.00 C
67
+ ATOM 66 CB LYS A 9 -43.133 55.409 -9.570 1.00 0.00 C
68
+ ATOM 67 O LYS A 9 -43.384 56.602 -6.758 1.00 0.00 O
69
+ ATOM 68 CG LYS A 9 -42.536 55.079 -10.930 1.00 0.00 C
70
+ ATOM 69 CD LYS A 9 -42.925 53.678 -11.386 1.00 0.00 C
71
+ ATOM 70 CE LYS A 9 -42.293 53.331 -12.727 1.00 0.00 C
72
+ ATOM 71 NZ LYS A 9 -42.643 51.946 -13.162 1.00 0.00 N
73
+ ATOM 72 N LEU A 10 -44.649 58.000 -8.033 1.00 0.00 N
74
+ ATOM 73 CA LEU A 10 -45.504 58.372 -6.909 1.00 0.00 C
75
+ ATOM 74 C LEU A 10 -46.314 57.176 -6.423 1.00 0.00 C
76
+ ATOM 75 CB LEU A 10 -46.444 59.513 -7.306 1.00 0.00 C
77
+ ATOM 76 O LEU A 10 -46.955 56.489 -7.222 1.00 0.00 O
78
+ ATOM 77 CG LEU A 10 -47.373 60.039 -6.211 1.00 0.00 C
79
+ ATOM 78 CD1 LEU A 10 -46.561 60.666 -5.083 1.00 0.00 C
80
+ ATOM 79 CD2 LEU A 10 -48.363 61.045 -6.787 1.00 0.00 C
81
+ ATOM 80 N VAL A 11 -46.337 56.941 -5.070 1.00 0.00 N
82
+ ATOM 81 CA VAL A 11 -47.060 55.785 -4.551 1.00 0.00 C
83
+ ATOM 82 C VAL A 11 -48.065 56.237 -3.494 1.00 0.00 C
84
+ ATOM 83 CB VAL A 11 -46.096 54.733 -3.955 1.00 0.00 C
85
+ ATOM 84 O VAL A 11 -49.007 55.508 -3.173 1.00 0.00 O
86
+ ATOM 85 CG1 VAL A 11 -45.235 54.109 -5.052 1.00 0.00 C
87
+ ATOM 86 CG2 VAL A 11 -45.219 55.365 -2.877 1.00 0.00 C
88
+ ATOM 87 N SER A 12 -47.854 57.393 -2.940 1.00 0.00 N
89
+ ATOM 88 CA SER A 12 -48.836 57.901 -1.987 1.00 0.00 C
90
+ ATOM 89 C SER A 12 -48.786 59.422 -1.899 1.00 0.00 C
91
+ ATOM 90 CB SER A 12 -48.603 57.294 -0.602 1.00 0.00 C
92
+ ATOM 91 O SER A 12 -47.760 60.034 -2.204 1.00 0.00 O
93
+ ATOM 92 OG SER A 12 -47.445 57.845 0.000 1.00 0.00 O
94
+ ATOM 93 N SER A 13 -49.891 59.931 -1.573 1.00 0.00 N
95
+ ATOM 94 CA SER A 13 -50.089 61.370 -1.437 1.00 0.00 C
96
+ ATOM 95 C SER A 13 -51.042 61.691 -0.290 1.00 0.00 C
97
+ ATOM 96 CB SER A 13 -50.627 61.964 -2.739 1.00 0.00 C
98
+ ATOM 97 O SER A 13 -52.155 61.162 -0.235 1.00 0.00 O
99
+ ATOM 98 OG SER A 13 -50.686 63.378 -2.661 1.00 0.00 O
100
+ ATOM 99 N GLU A 14 -50.568 62.467 0.657 1.00 0.00 N
101
+ ATOM 100 CA GLU A 14 -51.375 62.857 1.809 1.00 0.00 C
102
+ ATOM 101 C GLU A 14 -51.516 64.374 1.894 1.00 0.00 C
103
+ ATOM 102 CB GLU A 14 -50.763 62.313 3.103 1.00 0.00 C
104
+ ATOM 103 O GLU A 14 -50.520 65.100 1.849 1.00 0.00 O
105
+ ATOM 104 CG GLU A 14 -50.777 60.795 3.199 1.00 0.00 C
106
+ ATOM 105 CD GLU A 14 -50.149 60.268 4.480 1.00 0.00 C
107
+ ATOM 106 OE1 GLU A 14 -49.766 61.085 5.348 1.00 0.00 O
108
+ ATOM 107 OE2 GLU A 14 -50.039 59.030 4.615 1.00 0.00 O
109
+ ATOM 108 N ASN A 15 -52.714 64.830 2.140 1.00 0.00 N
110
+ ATOM 109 CA ASN A 15 -53.088 66.218 2.383 1.00 0.00 C
111
+ ATOM 110 C ASN A 15 -52.683 67.120 1.220 1.00 0.00 C
112
+ ATOM 111 CB ASN A 15 -52.466 66.722 3.687 1.00 0.00 C
113
+ ATOM 112 O ASN A 15 -52.484 68.323 1.402 1.00 0.00 O
114
+ ATOM 113 CG ASN A 15 -53.184 66.202 4.916 1.00 0.00 C
115
+ ATOM 114 ND2 ASN A 15 -52.583 66.401 6.083 1.00 0.00 N
116
+ ATOM 115 OD1 ASN A 15 -54.271 65.626 4.818 1.00 0.00 O
117
+ ATOM 116 N PHE A 16 -52.495 66.552 0.003 1.00 0.00 N
118
+ ATOM 117 CA PHE A 16 -52.017 67.304 -1.152 1.00 0.00 C
119
+ ATOM 118 C PHE A 16 -53.041 68.351 -1.577 1.00 0.00 C
120
+ ATOM 119 CB PHE A 16 -51.713 66.362 -2.320 1.00 0.00 C
121
+ ATOM 120 O PHE A 16 -52.678 69.478 -1.919 1.00 0.00 O
122
+ ATOM 121 CG PHE A 16 -51.032 67.036 -3.481 1.00 0.00 C
123
+ ATOM 122 CD1 PHE A 16 -49.841 67.729 -3.300 1.00 0.00 C
124
+ ATOM 123 CD2 PHE A 16 -51.583 66.976 -4.754 1.00 0.00 C
125
+ ATOM 124 CE1 PHE A 16 -49.208 68.353 -4.373 1.00 0.00 C
126
+ ATOM 125 CE2 PHE A 16 -50.957 67.598 -5.831 1.00 0.00 C
127
+ ATOM 126 CZ PHE A 16 -49.771 68.286 -5.638 1.00 0.00 C
128
+ ATOM 127 N ASP A 17 -54.360 67.968 -1.480 1.00 0.00 N
129
+ ATOM 128 CA ASP A 17 -55.410 68.909 -1.860 1.00 0.00 C
130
+ ATOM 129 C ASP A 17 -55.387 70.148 -0.968 1.00 0.00 C
131
+ ATOM 130 CB ASP A 17 -56.783 68.237 -1.791 1.00 0.00 C
132
+ ATOM 131 O ASP A 17 -55.460 71.275 -1.461 1.00 0.00 O
133
+ ATOM 132 CG ASP A 17 -57.910 69.140 -2.261 1.00 0.00 C
134
+ ATOM 133 OD1 ASP A 17 -58.522 69.836 -1.422 1.00 0.00 O
135
+ ATOM 134 OD2 ASP A 17 -58.191 69.153 -3.479 1.00 0.00 O
136
+ ATOM 135 N ASP A 18 -55.252 69.950 0.310 1.00 0.00 N
137
+ ATOM 136 CA ASP A 18 -55.239 71.069 1.247 1.00 0.00 C
138
+ ATOM 137 C ASP A 18 -54.029 71.970 1.011 1.00 0.00 C
139
+ ATOM 138 CB ASP A 18 -55.243 70.562 2.691 1.00 0.00 C
140
+ ATOM 139 O ASP A 18 -54.138 73.196 1.078 1.00 0.00 O
141
+ ATOM 140 CG ASP A 18 -56.578 69.968 3.106 1.00 0.00 C
142
+ ATOM 141 OD1 ASP A 18 -57.622 70.357 2.539 1.00 0.00 O
143
+ ATOM 142 OD2 ASP A 18 -56.586 69.106 4.011 1.00 0.00 O
144
+ ATOM 143 N TYR A 19 -52.931 71.367 0.758 1.00 0.00 N
145
+ ATOM 144 CA TYR A 19 -51.754 72.167 0.442 1.00 0.00 C
146
+ ATOM 145 C TYR A 19 -51.980 72.997 -0.817 1.00 0.00 C
147
+ ATOM 146 CB TYR A 19 -50.526 71.270 0.264 1.00 0.00 C
148
+ ATOM 147 O TYR A 19 -51.696 74.196 -0.836 1.00 0.00 O
149
+ ATOM 148 CG TYR A 19 -49.348 71.972 -0.370 1.00 0.00 C
150
+ ATOM 149 CD1 TYR A 19 -48.563 72.858 0.364 1.00 0.00 C
151
+ ATOM 150 CD2 TYR A 19 -49.021 71.752 -1.704 1.00 0.00 C
152
+ ATOM 151 CE1 TYR A 19 -47.479 73.508 -0.216 1.00 0.00 C
153
+ ATOM 152 CE2 TYR A 19 -47.940 72.397 -2.294 1.00 0.00 C
154
+ ATOM 153 OH TYR A 19 -46.103 73.912 -2.123 1.00 0.00 O
155
+ ATOM 154 CZ TYR A 19 -47.175 73.271 -1.544 1.00 0.00 C
156
+ ATOM 155 N MET A 20 -52.532 72.386 -1.851 1.00 0.00 N
157
+ ATOM 156 CA MET A 20 -52.743 73.129 -3.091 1.00 0.00 C
158
+ ATOM 157 C MET A 20 -53.770 74.238 -2.892 1.00 0.00 C
159
+ ATOM 158 CB MET A 20 -53.196 72.191 -4.210 1.00 0.00 C
160
+ ATOM 159 O MET A 20 -53.653 75.312 -3.485 1.00 0.00 O
161
+ ATOM 160 CG MET A 20 -52.084 71.315 -4.764 1.00 0.00 C
162
+ ATOM 161 SD MET A 20 -52.605 70.372 -6.250 1.00 0.00 S
163
+ ATOM 162 CE MET A 20 -53.677 69.127 -5.479 1.00 0.00 C
164
+ ATOM 163 N LYS A 21 -54.690 73.937 -2.085 1.00 0.00 N
165
+ ATOM 164 CA LYS A 21 -55.656 74.978 -1.749 1.00 0.00 C
166
+ ATOM 165 C LYS A 21 -54.978 76.150 -1.044 1.00 0.00 C
167
+ ATOM 166 CB LYS A 21 -56.772 74.412 -0.868 1.00 0.00 C
168
+ ATOM 167 O LYS A 21 -55.240 77.310 -1.367 1.00 0.00 O
169
+ ATOM 168 CG LYS A 21 -57.873 75.410 -0.546 1.00 0.00 C
170
+ ATOM 169 CD LYS A 21 -58.950 74.789 0.336 1.00 0.00 C
171
+ ATOM 170 CE LYS A 21 -60.021 75.805 0.711 1.00 0.00 C
172
+ ATOM 171 NZ LYS A 21 -61.083 75.199 1.569 1.00 0.00 N
173
+ ATOM 172 N GLU A 22 -54.145 75.854 -0.116 1.00 0.00 N
174
+ ATOM 173 CA GLU A 22 -53.458 76.889 0.651 1.00 0.00 C
175
+ ATOM 174 C GLU A 22 -52.561 77.738 -0.245 1.00 0.00 C
176
+ ATOM 175 CB GLU A 22 -52.634 76.264 1.781 1.00 0.00 C
177
+ ATOM 176 O GLU A 22 -52.471 78.955 -0.069 1.00 0.00 O
178
+ ATOM 177 CG GLU A 22 -51.991 77.284 2.709 1.00 0.00 C
179
+ ATOM 178 CD GLU A 22 -52.996 78.225 3.356 1.00 0.00 C
180
+ ATOM 179 OE1 GLU A 22 -54.122 77.782 3.677 1.00 0.00 O
181
+ ATOM 180 OE2 GLU A 22 -52.654 79.414 3.543 1.00 0.00 O
182
+ ATOM 181 N VAL A 23 -51.927 77.186 -1.270 1.00 0.00 N
183
+ ATOM 182 CA VAL A 23 -51.036 77.915 -2.165 1.00 0.00 C
184
+ ATOM 183 C VAL A 23 -51.856 78.732 -3.161 1.00 0.00 C
185
+ ATOM 184 CB VAL A 23 -50.081 76.960 -2.917 1.00 0.00 C
186
+ ATOM 185 O VAL A 23 -51.331 79.641 -3.809 1.00 0.00 O
187
+ ATOM 186 CG1 VAL A 23 -49.143 76.255 -1.940 1.00 0.00 C
188
+ ATOM 187 CG2 VAL A 23 -50.878 75.940 -3.728 1.00 0.00 C
189
+ ATOM 188 N GLY A 24 -53.189 78.322 -3.266 1.00 0.00 N
190
+ ATOM 189 CA GLY A 24 -54.083 79.132 -4.080 1.00 0.00 C
191
+ ATOM 190 C GLY A 24 -54.452 78.472 -5.395 1.00 0.00 C
192
+ ATOM 191 O GLY A 24 -54.855 79.149 -6.343 1.00 0.00 O
193
+ ATOM 192 N VAL A 25 -54.223 77.166 -5.563 1.00 0.00 N
194
+ ATOM 193 CA VAL A 25 -54.588 76.452 -6.782 1.00 0.00 C
195
+ ATOM 194 C VAL A 25 -56.101 76.260 -6.836 1.00 0.00 C
196
+ ATOM 195 CB VAL A 25 -53.874 75.085 -6.874 1.00 0.00 C
197
+ ATOM 196 O VAL A 25 -56.721 75.879 -5.841 1.00 0.00 O
198
+ ATOM 197 CG1 VAL A 25 -54.202 74.392 -8.195 1.00 0.00 C
199
+ ATOM 198 CG2 VAL A 25 -52.364 75.260 -6.720 1.00 0.00 C
200
+ ATOM 199 N GLY A 26 -56.674 76.563 -8.015 1.00 0.00 N
201
+ ATOM 200 CA GLY A 26 -58.111 76.439 -8.192 1.00 0.00 C
202
+ ATOM 201 C GLY A 26 -58.608 75.011 -8.060 1.00 0.00 C
203
+ ATOM 202 O GLY A 26 -57.839 74.063 -8.231 1.00 0.00 O
204
+ ATOM 203 N PHE A 27 -59.846 74.967 -7.758 1.00 0.00 N
205
+ ATOM 204 CA PHE A 27 -60.483 73.696 -7.436 1.00 0.00 C
206
+ ATOM 205 C PHE A 27 -60.335 72.708 -8.587 1.00 0.00 C
207
+ ATOM 206 CB PHE A 27 -61.965 73.903 -7.108 1.00 0.00 C
208
+ ATOM 207 O PHE A 27 -59.987 71.545 -8.373 1.00 0.00 O
209
+ ATOM 208 CG PHE A 27 -62.698 72.629 -6.782 1.00 0.00 C
210
+ ATOM 209 CD1 PHE A 27 -62.476 71.972 -5.577 1.00 0.00 C
211
+ ATOM 210 CD2 PHE A 27 -63.610 72.090 -7.680 1.00 0.00 C
212
+ ATOM 211 CE1 PHE A 27 -63.153 70.794 -5.274 1.00 0.00 C
213
+ ATOM 212 CE2 PHE A 27 -64.290 70.912 -7.382 1.00 0.00 C
214
+ ATOM 213 CZ PHE A 27 -64.060 70.265 -6.178 1.00 0.00 C
215
+ ATOM 214 N ALA A 28 -60.667 73.081 -9.796 1.00 0.00 N
216
+ ATOM 215 CA ALA A 28 -60.604 72.187 -10.950 1.00 0.00 C
217
+ ATOM 216 C ALA A 28 -59.195 71.632 -11.138 1.00 0.00 C
218
+ ATOM 217 CB ALA A 28 -61.057 72.917 -12.213 1.00 0.00 C
219
+ ATOM 218 O ALA A 28 -59.019 70.436 -11.380 1.00 0.00 O
220
+ ATOM 219 N THR A 29 -58.249 72.509 -11.035 1.00 0.00 N
221
+ ATOM 220 CA THR A 29 -56.859 72.093 -11.187 1.00 0.00 C
222
+ ATOM 221 C THR A 29 -56.452 71.144 -10.064 1.00 0.00 C
223
+ ATOM 222 CB THR A 29 -55.912 73.307 -11.206 1.00 0.00 C
224
+ ATOM 223 O THR A 29 -55.731 70.172 -10.296 1.00 0.00 O
225
+ ATOM 224 CG2 THR A 29 -54.463 72.871 -11.400 1.00 0.00 C
226
+ ATOM 225 OG1 THR A 29 -56.284 74.179 -12.281 1.00 0.00 O
227
+ ATOM 226 N ARG A 30 -56.864 71.375 -8.858 1.00 0.00 N
228
+ ATOM 227 CA ARG A 30 -56.525 70.499 -7.743 1.00 0.00 C
229
+ ATOM 228 C ARG A 30 -57.084 69.096 -7.959 1.00 0.00 C
230
+ ATOM 229 CB ARG A 30 -57.050 71.075 -6.426 1.00 0.00 C
231
+ ATOM 230 O ARG A 30 -56.451 68.105 -7.587 1.00 0.00 O
232
+ ATOM 231 CG ARG A 30 -56.412 72.398 -6.035 1.00 0.00 C
233
+ ATOM 232 CD ARG A 30 -56.644 72.726 -4.567 1.00 0.00 C
234
+ ATOM 233 NE ARG A 30 -58.063 72.692 -4.226 1.00 0.00 N
235
+ ATOM 234 NH1 ARG A 30 -58.437 74.926 -4.681 1.00 0.00 N
236
+ ATOM 235 NH2 ARG A 30 -60.157 73.597 -3.953 1.00 0.00 N
237
+ ATOM 236 CZ ARG A 30 -58.882 73.739 -4.287 1.00 0.00 C
238
+ ATOM 237 N LYS A 31 -58.247 69.051 -8.549 1.00 0.00 N
239
+ ATOM 238 CA LYS A 31 -58.861 67.752 -8.805 1.00 0.00 C
240
+ ATOM 239 C LYS A 31 -58.040 66.942 -9.804 1.00 0.00 C
241
+ ATOM 240 CB LYS A 31 -60.291 67.925 -9.320 1.00 0.00 C
242
+ ATOM 241 O LYS A 31 -57.785 65.755 -9.591 1.00 0.00 O
243
+ ATOM 242 CG LYS A 31 -61.296 68.298 -8.241 1.00 0.00 C
244
+ ATOM 243 CD LYS A 31 -62.725 68.008 -8.685 1.00 0.00 C
245
+ ATOM 244 CE LYS A 31 -63.728 68.311 -7.578 1.00 0.00 C
246
+ ATOM 245 NZ LYS A 31 -65.108 67.875 -7.947 1.00 0.00 N
247
+ ATOM 246 N VAL A 32 -57.602 67.571 -10.810 1.00 0.00 N
248
+ ATOM 247 CA VAL A 32 -56.820 66.890 -11.836 1.00 0.00 C
249
+ ATOM 248 C VAL A 32 -55.447 66.520 -11.280 1.00 0.00 C
250
+ ATOM 249 CB VAL A 32 -56.664 67.762 -13.103 1.00 0.00 C
251
+ ATOM 250 O VAL A 32 -54.964 65.405 -11.491 1.00 0.00 O
252
+ ATOM 251 CG1 VAL A 32 -55.759 67.075 -14.123 1.00 0.00 C
253
+ ATOM 252 CG2 VAL A 32 -58.032 68.063 -13.714 1.00 0.00 C
254
+ ATOM 253 N ALA A 33 -54.845 67.450 -10.571 1.00 0.00 N
255
+ ATOM 254 CA ALA A 33 -53.524 67.210 -9.998 1.00 0.00 C
256
+ ATOM 255 C ALA A 33 -53.565 66.075 -8.979 1.00 0.00 C
257
+ ATOM 256 CB ALA A 33 -52.986 68.483 -9.349 1.00 0.00 C
258
+ ATOM 257 O ALA A 33 -52.625 65.282 -8.885 1.00 0.00 O
259
+ ATOM 258 N GLY A 34 -54.632 65.991 -8.198 1.00 0.00 N
260
+ ATOM 259 CA GLY A 34 -54.762 64.967 -7.173 1.00 0.00 C
261
+ ATOM 260 C GLY A 34 -54.890 63.567 -7.741 1.00 0.00 C
262
+ ATOM 261 O GLY A 34 -54.533 62.589 -7.082 1.00 0.00 O
263
+ ATOM 262 N MET A 35 -55.346 63.492 -9.012 1.00 0.00 N
264
+ ATOM 263 CA MET A 35 -55.551 62.195 -9.650 1.00 0.00 C
265
+ ATOM 264 C MET A 35 -54.298 61.753 -10.398 1.00 0.00 C
266
+ ATOM 265 CB MET A 35 -56.742 62.249 -10.609 1.00 0.00 C
267
+ ATOM 266 O MET A 35 -54.190 60.595 -10.808 1.00 0.00 O
268
+ ATOM 267 CG MET A 35 -58.087 62.367 -9.911 1.00 0.00 C
269
+ ATOM 268 SD MET A 35 -59.498 62.234 -11.075 1.00 0.00 S
270
+ ATOM 269 CE MET A 35 -59.309 63.792 -11.987 1.00 0.00 C
271
+ ATOM 270 N ALA A 36 -53.426 62.645 -10.548 1.00 0.00 N
272
+ ATOM 271 CA ALA A 36 -52.222 62.347 -11.319 1.00 0.00 C
273
+ ATOM 272 C ALA A 36 -51.227 61.536 -10.493 1.00 0.00 C
274
+ ATOM 273 CB ALA A 36 -51.573 63.638 -11.811 1.00 0.00 C
275
+ ATOM 274 O ALA A 36 -51.158 61.688 -9.270 1.00 0.00 O
276
+ ATOM 275 N LYS A 37 -50.548 60.689 -11.068 1.00 0.00 N
277
+ ATOM 276 CA LYS A 37 -49.453 59.912 -10.494 1.00 0.00 C
278
+ ATOM 277 C LYS A 37 -48.156 60.138 -11.265 1.00 0.00 C
279
+ ATOM 278 CB LYS A 37 -49.802 58.423 -10.478 1.00 0.00 C
280
+ ATOM 279 O LYS A 37 -47.761 59.303 -12.082 1.00 0.00 O
281
+ ATOM 280 CG LYS A 37 -50.970 58.070 -9.569 1.00 0.00 C
282
+ ATOM 281 CD LYS A 37 -51.225 56.569 -9.544 1.00 0.00 C
283
+ ATOM 282 CE LYS A 37 -52.407 56.217 -8.652 1.00 0.00 C
284
+ ATOM 283 NZ LYS A 37 -52.648 54.743 -8.607 1.00 0.00 N
285
+ ATOM 284 N PRO A 38 -47.604 61.230 -11.027 1.00 0.00 N
286
+ ATOM 285 CA PRO A 38 -46.444 61.577 -11.852 1.00 0.00 C
287
+ ATOM 286 C PRO A 38 -45.219 60.722 -11.536 1.00 0.00 C
288
+ ATOM 287 CB PRO A 38 -46.190 63.045 -11.502 1.00 0.00 C
289
+ ATOM 288 O PRO A 38 -45.072 60.238 -10.411 1.00 0.00 O
290
+ ATOM 289 CG PRO A 38 -46.670 63.191 -10.093 1.00 0.00 C
291
+ ATOM 290 CD PRO A 38 -47.877 62.317 -9.909 1.00 0.00 C
292
+ ATOM 291 N ASN A 39 -44.422 60.537 -12.596 1.00 0.00 N
293
+ ATOM 292 CA ASN A 39 -43.026 60.162 -12.401 1.00 0.00 C
294
+ ATOM 293 C ASN A 39 -42.141 61.386 -12.188 1.00 0.00 C
295
+ ATOM 294 CB ASN A 39 -42.520 59.342 -13.589 1.00 0.00 C
296
+ ATOM 295 O ASN A 39 -42.307 62.403 -12.865 1.00 0.00 O
297
+ ATOM 296 CG ASN A 39 -43.262 58.029 -13.750 1.00 0.00 C
298
+ ATOM 297 ND2 ASN A 39 -43.508 57.636 -14.994 1.00 0.00 N
299
+ ATOM 298 OD1 ASN A 39 -43.611 57.373 -12.765 1.00 0.00 O
300
+ ATOM 299 N MET A 40 -41.276 61.301 -11.257 1.00 0.00 N
301
+ ATOM 300 CA MET A 40 -40.255 62.325 -11.056 1.00 0.00 C
302
+ ATOM 301 C MET A 40 -38.886 61.822 -11.501 1.00 0.00 C
303
+ ATOM 302 CB MET A 40 -40.204 62.752 -9.588 1.00 0.00 C
304
+ ATOM 303 O MET A 40 -38.435 60.764 -11.060 1.00 0.00 O
305
+ ATOM 304 CG MET A 40 -39.260 63.914 -9.321 1.00 0.00 C
306
+ ATOM 305 SD MET A 40 -39.239 64.410 -7.554 1.00 0.00 S
307
+ ATOM 306 CE MET A 40 -40.954 64.971 -7.359 1.00 0.00 C
308
+ ATOM 307 N ILE A 41 -38.319 62.511 -12.424 1.00 0.00 N
309
+ ATOM 308 CA ILE A 41 -36.994 62.168 -12.929 1.00 0.00 C
310
+ ATOM 309 C ILE A 41 -35.992 63.248 -12.523 1.00 0.00 C
311
+ ATOM 310 CB ILE A 41 -37.001 61.994 -14.464 1.00 0.00 C
312
+ ATOM 311 O ILE A 41 -36.174 64.425 -12.844 1.00 0.00 O
313
+ ATOM 312 CG1 ILE A 41 -38.045 60.950 -14.877 1.00 0.00 C
314
+ ATOM 313 CG2 ILE A 41 -35.609 61.606 -14.970 1.00 0.00 C
315
+ ATOM 314 CD1 ILE A 41 -38.475 61.048 -16.335 1.00 0.00 C
316
+ ATOM 315 N ILE A 42 -34.983 62.872 -11.827 1.00 0.00 N
317
+ ATOM 316 CA ILE A 42 -33.941 63.789 -11.378 1.00 0.00 C
318
+ ATOM 317 C ILE A 42 -32.615 63.428 -12.044 1.00 0.00 C
319
+ ATOM 318 CB ILE A 42 -33.793 63.768 -9.840 1.00 0.00 C
320
+ ATOM 319 O ILE A 42 -32.202 62.267 -12.030 1.00 0.00 O
321
+ ATOM 320 CG1 ILE A 42 -35.125 64.129 -9.171 1.00 0.00 C
322
+ ATOM 321 CG2 ILE A 42 -32.679 64.716 -9.392 1.00 0.00 C
323
+ ATOM 322 CD1 ILE A 42 -35.116 63.976 -7.657 1.00 0.00 C
324
+ ATOM 323 N SER A 43 -31.977 64.402 -12.680 1.00 0.00 N
325
+ ATOM 324 CA SER A 43 -30.683 64.196 -13.324 1.00 0.00 C
326
+ ATOM 325 C SER A 43 -29.708 65.315 -12.975 1.00 0.00 C
327
+ ATOM 326 CB SER A 43 -30.848 64.107 -14.841 1.00 0.00 C
328
+ ATOM 327 O SER A 43 -30.124 66.415 -12.604 1.00 0.00 O
329
+ ATOM 328 OG SER A 43 -31.352 65.323 -15.366 1.00 0.00 O
330
+ ATOM 329 N VAL A 44 -28.471 64.952 -13.070 1.00 0.00 N
331
+ ATOM 330 CA VAL A 44 -27.384 65.880 -12.779 1.00 0.00 C
332
+ ATOM 331 C VAL A 44 -26.370 65.864 -13.921 1.00 0.00 C
333
+ ATOM 332 CB VAL A 44 -26.687 65.536 -11.443 1.00 0.00 C
334
+ ATOM 333 O VAL A 44 -25.982 64.796 -14.400 1.00 0.00 O
335
+ ATOM 334 CG1 VAL A 44 -25.463 66.426 -11.228 1.00 0.00 C
336
+ ATOM 335 CG2 VAL A 44 -27.666 65.680 -10.279 1.00 0.00 C
337
+ ATOM 336 N ASN A 45 -26.097 66.995 -14.390 1.00 0.00 N
338
+ ATOM 337 CA ASN A 45 -25.021 67.226 -15.348 1.00 0.00 C
339
+ ATOM 338 C ASN A 45 -24.086 68.339 -14.882 1.00 0.00 C
340
+ ATOM 339 CB ASN A 45 -25.593 67.557 -16.728 1.00 0.00 C
341
+ ATOM 340 O ASN A 45 -24.449 69.515 -14.914 1.00 0.00 O
342
+ ATOM 341 CG ASN A 45 -24.524 67.626 -17.802 1.00 0.00 C
343
+ ATOM 342 ND2 ASN A 45 -24.944 67.845 -19.043 1.00 0.00 N
344
+ ATOM 343 OD1 ASN A 45 -23.333 67.481 -17.519 1.00 0.00 O
345
+ ATOM 344 N GLY A 46 -22.803 67.988 -14.455 1.00 0.00 N
346
+ ATOM 345 CA GLY A 46 -21.982 68.992 -13.798 1.00 0.00 C
347
+ ATOM 346 C GLY A 46 -22.637 69.586 -12.566 1.00 0.00 C
348
+ ATOM 347 O GLY A 46 -22.962 68.864 -11.621 1.00 0.00 O
349
+ ATOM 348 N ASP A 47 -22.785 70.921 -12.536 1.00 0.00 N
350
+ ATOM 349 CA ASP A 47 -23.417 71.570 -11.392 1.00 0.00 C
351
+ ATOM 350 C ASP A 47 -24.898 71.834 -11.660 1.00 0.00 C
352
+ ATOM 351 CB ASP A 47 -22.702 72.878 -11.054 1.00 0.00 C
353
+ ATOM 352 O ASP A 47 -25.580 72.457 -10.844 1.00 0.00 O
354
+ ATOM 353 CG ASP A 47 -22.722 73.878 -12.198 1.00 0.00 C
355
+ ATOM 354 OD1 ASP A 47 -23.140 73.514 -13.318 1.00 0.00 O
356
+ ATOM 355 OD2 ASP A 47 -22.314 75.039 -11.977 1.00 0.00 O
357
+ ATOM 356 N LEU A 48 -25.421 71.354 -12.755 1.00 0.00 N
358
+ ATOM 357 CA LEU A 48 -26.815 71.557 -13.132 1.00 0.00 C
359
+ ATOM 358 C LEU A 48 -27.670 70.364 -12.719 1.00 0.00 C
360
+ ATOM 359 CB LEU A 48 -26.934 71.787 -14.641 1.00 0.00 C
361
+ ATOM 360 O LEU A 48 -27.400 69.231 -13.127 1.00 0.00 O
362
+ ATOM 361 CG LEU A 48 -28.290 72.283 -15.146 1.00 0.00 C
363
+ ATOM 362 CD1 LEU A 48 -28.552 73.703 -14.656 1.00 0.00 C
364
+ ATOM 363 CD2 LEU A 48 -28.349 72.218 -16.669 1.00 0.00 C
365
+ ATOM 364 N VAL A 49 -28.628 70.596 -11.914 1.00 0.00 N
366
+ ATOM 365 CA VAL A 49 -29.611 69.601 -11.500 1.00 0.00 C
367
+ ATOM 366 C VAL A 49 -30.931 69.844 -12.230 1.00 0.00 C
368
+ ATOM 367 CB VAL A 49 -29.835 69.627 -9.972 1.00 0.00 C
369
+ ATOM 368 O VAL A 49 -31.376 70.986 -12.356 1.00 0.00 O
370
+ ATOM 369 CG1 VAL A 49 -30.761 68.490 -9.542 1.00 0.00 C
371
+ ATOM 370 CG2 VAL A 49 -28.500 69.539 -9.235 1.00 0.00 C
372
+ ATOM 371 N THR A 50 -31.534 68.825 -12.741 1.00 0.00 N
373
+ ATOM 372 CA THR A 50 -32.830 68.904 -13.407 1.00 0.00 C
374
+ ATOM 373 C THR A 50 -33.846 67.993 -12.723 1.00 0.00 C
375
+ ATOM 374 CB THR A 50 -32.718 68.525 -14.895 1.00 0.00 C
376
+ ATOM 375 O THR A 50 -33.543 66.838 -12.414 1.00 0.00 O
377
+ ATOM 376 CG2 THR A 50 -34.064 68.654 -15.599 1.00 0.00 C
378
+ ATOM 377 OG1 THR A 50 -31.773 69.394 -15.533 1.00 0.00 O
379
+ ATOM 378 N ILE A 51 -34.965 68.510 -12.387 1.00 0.00 N
380
+ ATOM 379 CA ILE A 51 -36.109 67.755 -11.891 1.00 0.00 C
381
+ ATOM 380 C ILE A 51 -37.258 67.841 -12.893 1.00 0.00 C
382
+ ATOM 381 CB ILE A 51 -36.566 68.265 -10.506 1.00 0.00 C
383
+ ATOM 382 O ILE A 51 -37.744 68.934 -13.198 1.00 0.00 O
384
+ ATOM 383 CG1 ILE A 51 -35.418 68.170 -9.495 1.00 0.00 C
385
+ ATOM 384 CG2 ILE A 51 -37.790 67.484 -10.019 1.00 0.00 C
386
+ ATOM 385 CD1 ILE A 51 -35.752 68.733 -8.121 1.00 0.00 C
387
+ ATOM 386 N ARG A 52 -37.589 66.707 -13.387 1.00 0.00 N
388
+ ATOM 387 CA ARG A 52 -38.696 66.589 -14.331 1.00 0.00 C
389
+ ATOM 388 C ARG A 52 -39.844 65.785 -13.730 1.00 0.00 C
390
+ ATOM 389 CB ARG A 52 -38.225 65.939 -15.634 1.00 0.00 C
391
+ ATOM 390 O ARG A 52 -39.626 64.722 -13.145 1.00 0.00 O
392
+ ATOM 391 CG ARG A 52 -39.267 65.954 -16.740 1.00 0.00 C
393
+ ATOM 392 CD ARG A 52 -38.716 65.384 -18.040 1.00 0.00 C
394
+ ATOM 393 NE ARG A 52 -39.767 65.210 -19.040 1.00 0.00 N
395
+ ATOM 394 NH1 ARG A 52 -38.693 66.431 -20.681 1.00 0.00 N
396
+ ATOM 395 NH2 ARG A 52 -40.741 65.492 -21.101 1.00 0.00 N
397
+ ATOM 396 CZ ARG A 52 -39.731 65.711 -20.271 1.00 0.00 C
398
+ ATOM 397 N SER A 53 -41.043 66.334 -13.804 1.00 0.00 N
399
+ ATOM 398 CA SER A 53 -42.265 65.629 -13.433 1.00 0.00 C
400
+ ATOM 399 C SER A 53 -43.098 65.282 -14.663 1.00 0.00 C
401
+ ATOM 400 CB SER A 53 -43.097 66.470 -12.464 1.00 0.00 C
402
+ ATOM 401 O SER A 53 -43.462 66.166 -15.442 1.00 0.00 O
403
+ ATOM 402 OG SER A 53 -44.229 65.746 -12.013 1.00 0.00 O
404
+ ATOM 403 N GLU A 54 -43.312 64.027 -14.815 1.00 0.00 N
405
+ ATOM 404 CA GLU A 54 -44.073 63.533 -15.960 1.00 0.00 C
406
+ ATOM 405 C GLU A 54 -45.411 62.946 -15.521 1.00 0.00 C
407
+ ATOM 406 CB GLU A 54 -43.266 62.485 -16.730 1.00 0.00 C
408
+ ATOM 407 O GLU A 54 -45.451 62.008 -14.722 1.00 0.00 O
409
+ ATOM 408 CG GLU A 54 -41.989 63.029 -17.355 1.00 0.00 C
410
+ ATOM 409 CD GLU A 54 -41.183 61.970 -18.091 1.00 0.00 C
411
+ ATOM 410 OE1 GLU A 54 -41.445 60.762 -17.895 1.00 0.00 O
412
+ ATOM 411 OE2 GLU A 54 -40.282 62.353 -18.870 1.00 0.00 O
413
+ ATOM 412 N SER A 55 -46.421 63.529 -16.025 1.00 0.00 N
414
+ ATOM 413 CA SER A 55 -47.762 63.033 -15.734 1.00 0.00 C
415
+ ATOM 414 C SER A 55 -48.652 63.087 -16.972 1.00 0.00 C
416
+ ATOM 415 CB SER A 55 -48.399 63.843 -14.603 1.00 0.00 C
417
+ ATOM 416 O SER A 55 -48.249 63.617 -18.009 1.00 0.00 O
418
+ ATOM 417 OG SER A 55 -48.874 65.089 -15.081 1.00 0.00 O
419
+ ATOM 418 N THR A 56 -49.851 62.545 -16.867 1.00 0.00 N
420
+ ATOM 419 CA THR A 56 -50.829 62.607 -17.947 1.00 0.00 C
421
+ ATOM 420 C THR A 56 -51.391 64.019 -18.087 1.00 0.00 C
422
+ ATOM 421 CB THR A 56 -51.982 61.613 -17.716 1.00 0.00 C
423
+ ATOM 422 O THR A 56 -51.918 64.381 -19.141 1.00 0.00 O
424
+ ATOM 423 CG2 THR A 56 -51.491 60.172 -17.805 1.00 0.00 C
425
+ ATOM 424 OG1 THR A 56 -52.543 61.835 -16.415 1.00 0.00 O
426
+ ATOM 425 N PHE A 57 -51.282 64.800 -17.022 1.00 0.00 N
427
+ ATOM 426 CA PHE A 57 -51.868 66.135 -17.012 1.00 0.00 C
428
+ ATOM 427 C PHE A 57 -50.900 67.156 -17.598 1.00 0.00 C
429
+ ATOM 428 CB PHE A 57 -52.260 66.541 -15.588 1.00 0.00 C
430
+ ATOM 429 O PHE A 57 -51.222 67.836 -18.575 1.00 0.00 O
431
+ ATOM 430 CG PHE A 57 -52.690 67.978 -15.463 1.00 0.00 C
432
+ ATOM 431 CD1 PHE A 57 -53.828 68.435 -16.115 1.00 0.00 C
433
+ ATOM 432 CD2 PHE A 57 -51.956 68.869 -14.692 1.00 0.00 C
434
+ ATOM 433 CE1 PHE A 57 -54.230 69.764 -16.001 1.00 0.00 C
435
+ ATOM 434 CE2 PHE A 57 -52.351 70.199 -14.573 1.00 0.00 C
436
+ ATOM 435 CZ PHE A 57 -53.487 70.645 -15.229 1.00 0.00 C
437
+ ATOM 436 N LYS A 58 -49.823 67.314 -17.082 1.00 0.00 N
438
+ ATOM 437 CA LYS A 58 -48.816 68.308 -17.441 1.00 0.00 C
439
+ ATOM 438 C LYS A 58 -47.412 67.814 -17.110 1.00 0.00 C
440
+ ATOM 439 CB LYS A 58 -49.089 69.631 -16.724 1.00 0.00 C
441
+ ATOM 440 O LYS A 58 -47.194 67.197 -16.065 1.00 0.00 O
442
+ ATOM 441 CG LYS A 58 -48.234 70.789 -17.215 1.00 0.00 C
443
+ ATOM 442 CD LYS A 58 -48.683 72.112 -16.608 1.00 0.00 C
444
+ ATOM 443 CE LYS A 58 -47.849 73.277 -17.124 1.00 0.00 C
445
+ ATOM 444 NZ LYS A 58 -48.327 74.584 -16.583 1.00 0.00 N
446
+ ATOM 445 N ASN A 59 -46.523 68.098 -18.050 1.00 0.00 N
447
+ ATOM 446 CA ASN A 59 -45.102 67.893 -17.791 1.00 0.00 C
448
+ ATOM 447 C ASN A 59 -44.418 69.188 -17.361 1.00 0.00 C
449
+ ATOM 448 CB ASN A 59 -44.408 67.310 -19.023 1.00 0.00 C
450
+ ATOM 449 O ASN A 59 -44.645 70.241 -17.958 1.00 0.00 O
451
+ ATOM 450 CG ASN A 59 -44.939 65.940 -19.398 1.00 0.00 C
452
+ ATOM 451 ND2 ASN A 59 -44.768 65.562 -20.660 1.00 0.00 N
453
+ ATOM 452 OD1 ASN A 59 -45.498 65.227 -18.561 1.00 0.00 O
454
+ ATOM 453 N THR A 60 -43.696 69.063 -16.309 1.00 0.00 N
455
+ ATOM 454 CA THR A 60 -42.926 70.211 -15.842 1.00 0.00 C
456
+ ATOM 455 C THR A 60 -41.458 69.838 -15.659 1.00 0.00 C
457
+ ATOM 456 CB THR A 60 -43.488 70.758 -14.517 1.00 0.00 C
458
+ ATOM 457 O THR A 60 -41.130 68.667 -15.454 1.00 0.00 O
459
+ ATOM 458 CG2 THR A 60 -44.969 71.100 -14.648 1.00 0.00 C
460
+ ATOM 459 OG1 THR A 60 -43.326 69.771 -13.491 1.00 0.00 O
461
+ ATOM 460 N GLU A 61 -40.644 70.848 -15.859 1.00 0.00 N
462
+ ATOM 461 CA GLU A 61 -39.205 70.657 -15.704 1.00 0.00 C
463
+ ATOM 462 C GLU A 61 -38.537 71.915 -15.155 1.00 0.00 C
464
+ ATOM 463 CB GLU A 61 -38.568 70.263 -17.039 1.00 0.00 C
465
+ ATOM 464 O GLU A 61 -38.826 73.025 -15.607 1.00 0.00 O
466
+ ATOM 465 CG GLU A 61 -37.086 69.933 -16.940 1.00 0.00 C
467
+ ATOM 466 CD GLU A 61 -36.512 69.358 -18.226 1.00 0.00 C
468
+ ATOM 467 OE1 GLU A 61 -36.959 68.272 -18.658 1.00 0.00 O
469
+ ATOM 468 OE2 GLU A 61 -35.607 70.000 -18.805 1.00 0.00 O
470
+ ATOM 469 N ILE A 62 -37.722 71.691 -14.156 1.00 0.00 N
471
+ ATOM 470 CA ILE A 62 -36.883 72.781 -13.671 1.00 0.00 C
472
+ ATOM 471 C ILE A 62 -35.416 72.363 -13.715 1.00 0.00 C
473
+ ATOM 472 CB ILE A 62 -37.278 73.204 -12.238 1.00 0.00 C
474
+ ATOM 473 O ILE A 62 -35.094 71.186 -13.532 1.00 0.00 O
475
+ ATOM 474 CG1 ILE A 62 -37.188 72.006 -11.285 1.00 0.00 C
476
+ ATOM 475 CG2 ILE A 62 -38.682 73.813 -12.222 1.00 0.00 C
477
+ ATOM 476 CD1 ILE A 62 -37.414 72.361 -9.822 1.00 0.00 C
478
+ ATOM 477 N SER A 63 -34.578 73.300 -14.091 1.00 0.00 N
479
+ ATOM 478 CA SER A 63 -33.126 73.148 -14.062 1.00 0.00 C
480
+ ATOM 479 C SER A 63 -32.470 74.258 -13.247 1.00 0.00 C
481
+ ATOM 480 CB SER A 63 -32.559 73.144 -15.482 1.00 0.00 C
482
+ ATOM 481 O SER A 63 -32.789 75.436 -13.424 1.00 0.00 O
483
+ ATOM 482 OG SER A 63 -33.085 72.062 -16.231 1.00 0.00 O
484
+ ATOM 483 N PHE A 64 -31.634 73.867 -12.400 1.00 0.00 N
485
+ ATOM 484 CA PHE A 64 -31.106 74.835 -11.446 1.00 0.00 C
486
+ ATOM 485 C PHE A 64 -29.715 74.428 -10.975 1.00 0.00 C
487
+ ATOM 486 CB PHE A 64 -32.047 74.975 -10.244 1.00 0.00 C
488
+ ATOM 487 O PHE A 64 -29.312 73.274 -11.137 1.00 0.00 O
489
+ ATOM 488 CG PHE A 64 -32.253 73.694 -9.482 1.00 0.00 C
490
+ ATOM 489 CD1 PHE A 64 -33.232 72.788 -9.871 1.00 0.00 C
491
+ ATOM 490 CD2 PHE A 64 -31.468 73.396 -8.376 1.00 0.00 C
492
+ ATOM 491 CE1 PHE A 64 -33.426 71.601 -9.167 1.00 0.00 C
493
+ ATOM 492 CE2 PHE A 64 -31.655 72.212 -7.669 1.00 0.00 C
494
+ ATOM 493 CZ PHE A 64 -32.635 71.317 -8.064 1.00 0.00 C
495
+ ATOM 494 N LYS A 65 -29.031 75.333 -10.470 1.00 0.00 N
496
+ ATOM 495 CA LYS A 65 -27.837 75.113 -9.658 1.00 0.00 C
497
+ ATOM 496 C LYS A 65 -28.134 75.320 -8.175 1.00 0.00 C
498
+ ATOM 497 CB LYS A 65 -26.706 76.042 -10.101 1.00 0.00 C
499
+ ATOM 498 O LYS A 65 -28.814 76.279 -7.802 1.00 0.00 O
500
+ ATOM 499 CG LYS A 65 -26.222 75.795 -11.522 1.00 0.00 C
501
+ ATOM 500 CD LYS A 65 -25.074 76.725 -11.893 1.00 0.00 C
502
+ ATOM 501 CE LYS A 65 -24.602 76.490 -13.321 1.00 0.00 C
503
+ ATOM 502 NZ LYS A 65 -23.457 77.380 -13.679 1.00 0.00 N
504
+ ATOM 503 N LEU A 66 -27.610 74.461 -7.379 1.00 0.00 N
505
+ ATOM 504 CA LEU A 66 -27.877 74.559 -5.947 1.00 0.00 C
506
+ ATOM 505 C LEU A 66 -27.469 75.926 -5.411 1.00 0.00 C
507
+ ATOM 506 CB LEU A 66 -27.134 73.457 -5.188 1.00 0.00 C
508
+ ATOM 507 O LEU A 66 -26.390 76.428 -5.734 1.00 0.00 O
509
+ ATOM 508 CG LEU A 66 -27.612 72.025 -5.431 1.00 0.00 C
510
+ ATOM 509 CD1 LEU A 66 -26.682 71.031 -4.742 1.00 0.00 C
511
+ ATOM 510 CD2 LEU A 66 -29.045 71.850 -4.943 1.00 0.00 C
512
+ ATOM 511 N GLY A 67 -28.401 76.559 -4.667 1.00 0.00 N
513
+ ATOM 512 CA GLY A 67 -28.107 77.800 -3.967 1.00 0.00 C
514
+ ATOM 513 C GLY A 67 -28.277 79.030 -4.837 1.00 0.00 C
515
+ ATOM 514 O GLY A 67 -28.030 80.152 -4.389 1.00 0.00 O
516
+ ATOM 515 N VAL A 68 -28.579 78.839 -6.095 1.00 0.00 N
517
+ ATOM 516 CA VAL A 68 -28.763 79.950 -7.022 1.00 0.00 C
518
+ ATOM 517 C VAL A 68 -30.251 80.160 -7.290 1.00 0.00 C
519
+ ATOM 518 CB VAL A 68 -28.012 79.710 -8.351 1.00 0.00 C
520
+ ATOM 519 O VAL A 68 -30.965 79.219 -7.643 1.00 0.00 O
521
+ ATOM 520 CG1 VAL A 68 -28.251 80.863 -9.323 1.00 0.00 C
522
+ ATOM 521 CG2 VAL A 68 -26.516 79.526 -8.093 1.00 0.00 C
523
+ ATOM 522 N GLU A 69 -30.668 81.327 -7.100 1.00 0.00 N
524
+ ATOM 523 CA GLU A 69 -32.064 81.672 -7.353 1.00 0.00 C
525
+ ATOM 524 C GLU A 69 -32.390 81.595 -8.842 1.00 0.00 C
526
+ ATOM 525 CB GLU A 69 -32.379 83.071 -6.818 1.00 0.00 C
527
+ ATOM 526 O GLU A 69 -31.561 81.949 -9.684 1.00 0.00 O
528
+ ATOM 527 CG GLU A 69 -33.856 83.432 -6.871 1.00 0.00 C
529
+ ATOM 528 CD GLU A 69 -34.161 84.798 -6.275 1.00 0.00 C
530
+ ATOM 529 OE1 GLU A 69 -34.553 84.868 -5.088 1.00 0.00 O
531
+ ATOM 530 OE2 GLU A 69 -34.009 85.805 -7.002 1.00 0.00 O
532
+ ATOM 531 N PHE A 70 -33.602 81.155 -9.166 1.00 0.00 N
533
+ ATOM 532 CA PHE A 70 -34.052 81.050 -10.549 1.00 0.00 C
534
+ ATOM 533 C PHE A 70 -35.555 81.278 -10.649 1.00 0.00 C
535
+ ATOM 534 CB PHE A 70 -33.689 79.681 -11.132 1.00 0.00 C
536
+ ATOM 535 O PHE A 70 -36.274 81.156 -9.655 1.00 0.00 O
537
+ ATOM 536 CG PHE A 70 -34.332 78.526 -10.413 1.00 0.00 C
538
+ ATOM 537 CD1 PHE A 70 -33.787 78.033 -9.233 1.00 0.00 C
539
+ ATOM 538 CD2 PHE A 70 -35.481 77.932 -10.918 1.00 0.00 C
540
+ ATOM 539 CE1 PHE A 70 -34.381 76.964 -8.566 1.00 0.00 C
541
+ ATOM 540 CE2 PHE A 70 -36.079 76.863 -10.256 1.00 0.00 C
542
+ ATOM 541 CZ PHE A 70 -35.527 76.380 -9.081 1.00 0.00 C
543
+ ATOM 542 N ASP A 71 -35.991 81.648 -11.787 1.00 0.00 N
544
+ ATOM 543 CA ASP A 71 -37.414 81.783 -12.082 1.00 0.00 C
545
+ ATOM 544 C ASP A 71 -38.041 80.426 -12.392 1.00 0.00 C
546
+ ATOM 545 CB ASP A 71 -37.630 82.742 -13.255 1.00 0.00 C
547
+ ATOM 546 O ASP A 71 -37.491 79.644 -13.171 1.00 0.00 O
548
+ ATOM 547 CG ASP A 71 -37.223 84.169 -12.935 1.00 0.00 C
549
+ ATOM 548 OD1 ASP A 71 -37.588 84.681 -11.855 1.00 0.00 O
550
+ ATOM 549 OD2 ASP A 71 -36.534 84.791 -13.773 1.00 0.00 O
551
+ ATOM 550 N GLU A 72 -39.190 80.219 -11.784 1.00 0.00 N
552
+ ATOM 551 CA GLU A 72 -39.935 78.977 -11.971 1.00 0.00 C
553
+ ATOM 552 C GLU A 72 -41.414 79.254 -12.222 1.00 0.00 C
554
+ ATOM 553 CB GLU A 72 -39.769 78.064 -10.754 1.00 0.00 C
555
+ ATOM 554 O GLU A 72 -41.989 80.171 -11.632 1.00 0.00 O
556
+ ATOM 555 CG GLU A 72 -40.557 76.765 -10.850 1.00 0.00 C
557
+ ATOM 556 CD GLU A 72 -40.380 75.866 -9.636 1.00 0.00 C
558
+ ATOM 557 OE1 GLU A 72 -39.578 76.208 -8.738 1.00 0.00 O
559
+ ATOM 558 OE2 GLU A 72 -41.049 74.809 -9.583 1.00 0.00 O
560
+ ATOM 559 N GLU A 73 -41.936 78.553 -13.151 1.00 0.00 N
561
+ ATOM 560 CA GLU A 73 -43.383 78.540 -13.344 1.00 0.00 C
562
+ ATOM 561 C GLU A 73 -44.007 77.279 -12.753 1.00 0.00 C
563
+ ATOM 562 CB GLU A 73 -43.728 78.650 -14.831 1.00 0.00 C
564
+ ATOM 563 O GLU A 73 -43.618 76.163 -13.104 1.00 0.00 O
565
+ ATOM 564 CG GLU A 73 -45.203 78.910 -15.103 1.00 0.00 C
566
+ ATOM 565 CD GLU A 73 -45.494 79.257 -16.554 1.00 0.00 C
567
+ ATOM 566 OE1 GLU A 73 -44.598 79.797 -17.241 1.00 0.00 O
568
+ ATOM 567 OE2 GLU A 73 -46.628 78.987 -17.008 1.00 0.00 O
569
+ ATOM 568 N THR A 74 -44.921 77.458 -11.819 1.00 0.00 N
570
+ ATOM 569 CA THR A 74 -45.548 76.336 -11.129 1.00 0.00 C
571
+ ATOM 570 C THR A 74 -46.552 75.633 -12.039 1.00 0.00 C
572
+ ATOM 571 CB THR A 74 -46.254 76.796 -9.840 1.00 0.00 C
573
+ ATOM 572 O THR A 74 -46.905 76.153 -13.100 1.00 0.00 O
574
+ ATOM 573 CG2 THR A 74 -45.276 77.484 -8.893 1.00 0.00 C
575
+ ATOM 574 OG1 THR A 74 -47.300 77.715 -10.177 1.00 0.00 O
576
+ ATOM 575 N VAL A 75 -47.036 74.516 -11.670 1.00 0.00 N
577
+ ATOM 576 CA VAL A 75 -47.920 73.685 -12.481 1.00 0.00 C
578
+ ATOM 577 C VAL A 75 -49.198 74.456 -12.805 1.00 0.00 C
579
+ ATOM 578 CB VAL A 75 -48.263 72.358 -11.768 1.00 0.00 C
580
+ ATOM 579 O VAL A 75 -49.807 74.244 -13.857 1.00 0.00 O
581
+ ATOM 580 CG1 VAL A 75 -49.321 71.583 -12.552 1.00 0.00 C
582
+ ATOM 581 CG2 VAL A 75 -47.006 71.512 -11.582 1.00 0.00 C
583
+ ATOM 582 N ASP A 76 -49.598 75.393 -11.918 1.00 0.00 N
584
+ ATOM 583 CA ASP A 76 -50.828 76.150 -12.129 1.00 0.00 C
585
+ ATOM 584 C ASP A 76 -50.543 77.478 -12.825 1.00 0.00 C
586
+ ATOM 585 CB ASP A 76 -51.540 76.396 -10.797 1.00 0.00 C
587
+ ATOM 586 O ASP A 76 -51.440 78.311 -12.974 1.00 0.00 O
588
+ ATOM 587 CG ASP A 76 -50.719 77.232 -9.832 1.00 0.00 C
589
+ ATOM 588 OD1 ASP A 76 -49.472 77.185 -9.892 1.00 0.00 O
590
+ ATOM 589 OD2 ASP A 76 -51.325 77.943 -9.001 1.00 0.00 O
591
+ ATOM 590 N GLY A 77 -49.320 77.711 -13.217 1.00 0.00 N
592
+ ATOM 591 CA GLY A 77 -49.002 78.840 -14.077 1.00 0.00 C
593
+ ATOM 592 C GLY A 77 -48.435 80.026 -13.319 1.00 0.00 C
594
+ ATOM 593 O GLY A 77 -48.112 81.055 -13.917 1.00 0.00 O
595
+ ATOM 594 N ARG A 78 -48.247 79.861 -12.031 1.00 0.00 N
596
+ ATOM 595 CA ARG A 78 -47.676 80.972 -11.277 1.00 0.00 C
597
+ ATOM 596 C ARG A 78 -46.199 81.158 -11.609 1.00 0.00 C
598
+ ATOM 597 CB ARG A 78 -47.850 80.747 -9.773 1.00 0.00 C
599
+ ATOM 598 O ARG A 78 -45.470 80.181 -11.789 1.00 0.00 O
600
+ ATOM 599 CG ARG A 78 -49.291 80.842 -9.298 1.00 0.00 C
601
+ ATOM 600 CD ARG A 78 -49.407 80.614 -7.798 1.00 0.00 C
602
+ ATOM 601 NE ARG A 78 -48.986 79.267 -7.423 1.00 0.00 N
603
+ ATOM 602 NH1 ARG A 78 -47.332 79.965 -5.969 1.00 0.00 N
604
+ ATOM 603 NH2 ARG A 78 -47.709 77.728 -6.295 1.00 0.00 N
605
+ ATOM 604 CZ ARG A 78 -48.009 78.990 -6.564 1.00 0.00 C
606
+ ATOM 605 N LYS A 79 -45.799 82.419 -11.678 1.00 0.00 N
607
+ ATOM 606 CA LYS A 79 -44.378 82.740 -11.777 1.00 0.00 C
608
+ ATOM 607 C LYS A 79 -43.775 82.998 -10.398 1.00 0.00 C
609
+ ATOM 608 CB LYS A 79 -44.165 83.958 -12.678 1.00 0.00 C
610
+ ATOM 609 O LYS A 79 -44.209 83.904 -9.685 1.00 0.00 O
611
+ ATOM 610 CG LYS A 79 -44.588 83.740 -14.123 1.00 0.00 C
612
+ ATOM 611 CD LYS A 79 -44.255 84.947 -14.991 1.00 0.00 C
613
+ ATOM 612 CE LYS A 79 -44.722 84.752 -16.426 1.00 0.00 C
614
+ ATOM 613 NZ LYS A 79 -44.457 85.958 -17.265 1.00 0.00 N
615
+ ATOM 614 N VAL A 80 -42.852 82.167 -9.993 1.00 0.00 N
616
+ ATOM 615 CA VAL A 80 -42.281 82.286 -8.656 1.00 0.00 C
617
+ ATOM 616 C VAL A 80 -40.761 82.405 -8.753 1.00 0.00 C
618
+ ATOM 617 CB VAL A 80 -42.665 81.084 -7.765 1.00 0.00 C
619
+ ATOM 618 O VAL A 80 -40.164 82.009 -9.757 1.00 0.00 O
620
+ ATOM 619 CG1 VAL A 80 -44.175 80.853 -7.792 1.00 0.00 C
621
+ ATOM 620 CG2 VAL A 80 -41.922 79.828 -8.214 1.00 0.00 C
622
+ ATOM 621 N LYS A 81 -40.136 83.009 -7.739 1.00 0.00 N
623
+ ATOM 622 CA LYS A 81 -38.698 82.897 -7.516 1.00 0.00 C
624
+ ATOM 623 C LYS A 81 -38.371 81.691 -6.639 1.00 0.00 C
625
+ ATOM 624 CB LYS A 81 -38.152 84.174 -6.876 1.00 0.00 C
626
+ ATOM 625 O LYS A 81 -38.972 81.508 -5.578 1.00 0.00 O
627
+ ATOM 626 CG LYS A 81 -38.265 85.406 -7.762 1.00 0.00 C
628
+ ATOM 627 CD LYS A 81 -37.331 85.319 -8.962 1.00 0.00 C
629
+ ATOM 628 CE LYS A 81 -37.263 86.639 -9.717 1.00 0.00 C
630
+ ATOM 629 NZ LYS A 81 -36.403 86.540 -10.933 1.00 0.00 N
631
+ ATOM 630 N SER A 82 -37.443 80.930 -7.119 1.00 0.00 N
632
+ ATOM 631 CA SER A 82 -37.144 79.691 -6.409 1.00 0.00 C
633
+ ATOM 632 C SER A 82 -35.650 79.557 -6.133 1.00 0.00 C
634
+ ATOM 633 CB SER A 82 -37.633 78.482 -7.208 1.00 0.00 C
635
+ ATOM 634 O SER A 82 -34.825 80.034 -6.915 1.00 0.00 O
636
+ ATOM 635 OG SER A 82 -39.044 78.367 -7.133 1.00 0.00 O
637
+ ATOM 636 N ILE A 83 -35.330 78.994 -5.049 1.00 0.00 N
638
+ ATOM 637 CA ILE A 83 -33.974 78.564 -4.726 1.00 0.00 C
639
+ ATOM 638 C ILE A 83 -34.009 77.165 -4.114 1.00 0.00 C
640
+ ATOM 639 CB ILE A 83 -33.281 79.554 -3.763 1.00 0.00 C
641
+ ATOM 640 O ILE A 83 -34.895 76.854 -3.314 1.00 0.00 O
642
+ ATOM 641 CG1 ILE A 83 -31.798 79.197 -3.607 1.00 0.00 C
643
+ ATOM 642 CG2 ILE A 83 -33.987 79.569 -2.405 1.00 0.00 C
644
+ ATOM 643 CD1 ILE A 83 -30.952 80.315 -3.012 1.00 0.00 C
645
+ ATOM 644 N ILE A 84 -33.113 76.355 -4.527 1.00 0.00 N
646
+ ATOM 645 CA ILE A 84 -32.996 75.004 -3.987 1.00 0.00 C
647
+ ATOM 646 C ILE A 84 -31.608 74.808 -3.385 1.00 0.00 C
648
+ ATOM 647 CB ILE A 84 -33.268 73.937 -5.069 1.00 0.00 C
649
+ ATOM 648 O ILE A 84 -30.597 75.097 -4.031 1.00 0.00 O
650
+ ATOM 649 CG1 ILE A 84 -34.670 74.119 -5.661 1.00 0.00 C
651
+ ATOM 650 CG2 ILE A 84 -33.095 72.528 -4.493 1.00 0.00 C
652
+ ATOM 651 CD1 ILE A 84 -34.990 73.163 -6.801 1.00 0.00 C
653
+ ATOM 652 N THR A 85 -31.537 74.339 -2.205 1.00 0.00 N
654
+ ATOM 653 CA THR A 85 -30.302 74.048 -1.484 1.00 0.00 C
655
+ ATOM 654 C THR A 85 -30.279 72.598 -1.011 1.00 0.00 C
656
+ ATOM 655 CB THR A 85 -30.125 74.988 -0.277 1.00 0.00 C
657
+ ATOM 656 O THR A 85 -31.308 71.919 -1.023 1.00 0.00 O
658
+ ATOM 657 CG2 THR A 85 -30.039 76.444 -0.721 1.00 0.00 C
659
+ ATOM 658 OG1 THR A 85 -31.243 74.835 0.607 1.00 0.00 O
660
+ ATOM 659 N LEU A 86 -29.120 72.161 -0.788 1.00 0.00 N
661
+ ATOM 660 CA LEU A 86 -28.942 70.878 -0.118 1.00 0.00 C
662
+ ATOM 661 C LEU A 86 -28.698 71.074 1.375 1.00 0.00 C
663
+ ATOM 662 CB LEU A 86 -27.776 70.104 -0.740 1.00 0.00 C
664
+ ATOM 663 O LEU A 86 -27.693 71.670 1.771 1.00 0.00 O
665
+ ATOM 664 CG LEU A 86 -27.598 68.658 -0.276 1.00 0.00 C
666
+ ATOM 665 CD1 LEU A 86 -28.759 67.797 -0.764 1.00 0.00 C
667
+ ATOM 666 CD2 LEU A 86 -26.267 68.099 -0.768 1.00 0.00 C
668
+ ATOM 667 N ASP A 87 -29.696 70.695 2.142 1.00 0.00 N
669
+ ATOM 668 CA ASP A 87 -29.634 70.880 3.589 1.00 0.00 C
670
+ ATOM 669 C ASP A 87 -29.927 69.574 4.323 1.00 0.00 C
671
+ ATOM 670 CB ASP A 87 -30.616 71.966 4.033 1.00 0.00 C
672
+ ATOM 671 O ASP A 87 -31.000 68.990 4.157 1.00 0.00 O
673
+ ATOM 672 CG ASP A 87 -30.474 72.330 5.500 1.00 0.00 C
674
+ ATOM 673 OD1 ASP A 87 -29.493 71.900 6.143 1.00 0.00 O
675
+ ATOM 674 OD2 ASP A 87 -31.353 73.052 6.018 1.00 0.00 O
676
+ ATOM 675 N GLY A 88 -28.859 69.112 5.169 1.00 0.00 N
677
+ ATOM 676 CA GLY A 88 -29.054 67.888 5.929 1.00 0.00 C
678
+ ATOM 677 C GLY A 88 -29.365 66.687 5.057 1.00 0.00 C
679
+ ATOM 678 O GLY A 88 -30.160 65.825 5.439 1.00 0.00 O
680
+ ATOM 679 N GLY A 89 -28.883 66.625 3.855 1.00 0.00 N
681
+ ATOM 680 CA GLY A 89 -29.090 65.499 2.957 1.00 0.00 C
682
+ ATOM 681 C GLY A 89 -30.388 65.589 2.177 1.00 0.00 C
683
+ ATOM 682 O GLY A 89 -30.743 64.665 1.443 1.00 0.00 O
684
+ ATOM 683 N ALA A 90 -31.179 66.654 2.335 1.00 0.00 N
685
+ ATOM 684 CA ALA A 90 -32.424 66.871 1.603 1.00 0.00 C
686
+ ATOM 685 C ALA A 90 -32.299 68.050 0.643 1.00 0.00 C
687
+ ATOM 686 CB ALA A 90 -33.579 67.101 2.574 1.00 0.00 C
688
+ ATOM 687 O ALA A 90 -31.568 69.006 0.916 1.00 0.00 O
689
+ ATOM 688 N LEU A 91 -32.916 67.922 -0.483 1.00 0.00 N
690
+ ATOM 689 CA LEU A 91 -33.132 69.086 -1.335 1.00 0.00 C
691
+ ATOM 690 C LEU A 91 -34.263 69.954 -0.794 1.00 0.00 C
692
+ ATOM 691 CB LEU A 91 -33.450 68.650 -2.768 1.00 0.00 C
693
+ ATOM 692 O LEU A 91 -35.394 69.487 -0.646 1.00 0.00 O
694
+ ATOM 693 CG LEU A 91 -32.333 67.925 -3.520 1.00 0.00 C
695
+ ATOM 694 CD1 LEU A 91 -32.860 67.357 -4.833 1.00 0.00 C
696
+ ATOM 695 CD2 LEU A 91 -31.159 68.865 -3.771 1.00 0.00 C
697
+ ATOM 696 N VAL A 92 -33.927 71.180 -0.453 1.00 0.00 N
698
+ ATOM 697 CA VAL A 92 -34.905 72.107 0.106 1.00 0.00 C
699
+ ATOM 698 C VAL A 92 -35.145 73.257 -0.870 1.00 0.00 C
700
+ ATOM 699 CB VAL A 92 -34.448 72.657 1.476 1.00 0.00 C
701
+ ATOM 700 O VAL A 92 -34.244 74.059 -1.128 1.00 0.00 O
702
+ ATOM 701 CG1 VAL A 92 -35.496 73.608 2.053 1.00 0.00 C
703
+ ATOM 702 CG2 VAL A 92 -34.170 71.510 2.445 1.00 0.00 C
704
+ ATOM 703 N GLN A 93 -36.326 73.247 -1.356 1.00 0.00 N
705
+ ATOM 704 CA GLN A 93 -36.769 74.291 -2.274 1.00 0.00 C
706
+ ATOM 705 C GLN A 93 -37.637 75.322 -1.557 1.00 0.00 C
707
+ ATOM 706 CB GLN A 93 -37.539 73.682 -3.448 1.00 0.00 C
708
+ ATOM 707 O GLN A 93 -38.580 74.962 -0.848 1.00 0.00 O
709
+ ATOM 708 CG GLN A 93 -38.069 74.712 -4.436 1.00 0.00 C
710
+ ATOM 709 CD GLN A 93 -38.735 74.080 -5.643 1.00 0.00 C
711
+ ATOM 710 NE2 GLN A 93 -39.377 74.901 -6.464 1.00 0.00 N
712
+ ATOM 711 OE1 GLN A 93 -38.670 72.861 -5.836 1.00 0.00 O
713
+ ATOM 712 N VAL A 94 -37.292 76.589 -1.717 1.00 0.00 N
714
+ ATOM 713 CA VAL A 94 -38.154 77.683 -1.282 1.00 0.00 C
715
+ ATOM 714 C VAL A 94 -38.664 78.454 -2.497 1.00 0.00 C
716
+ ATOM 715 CB VAL A 94 -37.417 78.637 -0.315 1.00 0.00 C
717
+ ATOM 716 O VAL A 94 -37.874 78.907 -3.328 1.00 0.00 O
718
+ ATOM 717 CG1 VAL A 94 -38.332 79.781 0.117 1.00 0.00 C
719
+ ATOM 718 CG2 VAL A 94 -36.903 77.870 0.901 1.00 0.00 C
720
+ ATOM 719 N GLN A 95 -39.974 78.566 -2.594 1.00 0.00 N
721
+ ATOM 720 CA GLN A 95 -40.624 79.361 -3.631 1.00 0.00 C
722
+ ATOM 721 C GLN A 95 -41.266 80.613 -3.040 1.00 0.00 C
723
+ ATOM 722 CB GLN A 95 -41.676 78.529 -4.366 1.00 0.00 C
724
+ ATOM 723 O GLN A 95 -41.950 80.544 -2.018 1.00 0.00 O
725
+ ATOM 724 CG GLN A 95 -41.108 77.308 -5.077 1.00 0.00 C
726
+ ATOM 725 CD GLN A 95 -42.174 76.487 -5.778 1.00 0.00 C
727
+ ATOM 726 NE2 GLN A 95 -41.836 75.946 -6.943 1.00 0.00 N
728
+ ATOM 727 OE1 GLN A 95 -43.292 76.339 -5.274 1.00 0.00 O
729
+ ATOM 728 N LYS A 96 -41.096 81.726 -3.740 1.00 0.00 N
730
+ ATOM 729 CA LYS A 96 -41.648 82.997 -3.277 1.00 0.00 C
731
+ ATOM 730 C LYS A 96 -42.398 83.711 -4.397 1.00 0.00 C
732
+ ATOM 731 CB LYS A 96 -40.539 83.897 -2.731 1.00 0.00 C
733
+ ATOM 732 O LYS A 96 -41.911 83.787 -5.528 1.00 0.00 O
734
+ ATOM 733 CG LYS A 96 -39.820 83.328 -1.517 1.00 0.00 C
735
+ ATOM 734 CD LYS A 96 -38.728 84.268 -1.022 1.00 0.00 C
736
+ ATOM 735 CE LYS A 96 -37.982 83.681 0.168 1.00 0.00 C
737
+ ATOM 736 NZ LYS A 96 -36.858 84.562 0.606 1.00 0.00 N
738
+ ATOM 737 N TRP A 97 -43.545 84.115 -4.021 1.00 0.00 N
739
+ ATOM 738 CA TRP A 97 -44.340 84.917 -4.946 1.00 0.00 C
740
+ ATOM 739 C TRP A 97 -45.266 85.862 -4.189 1.00 0.00 C
741
+ ATOM 740 CB TRP A 97 -45.158 84.015 -5.874 1.00 0.00 C
742
+ ATOM 741 O TRP A 97 -45.848 85.487 -3.169 1.00 0.00 O
743
+ ATOM 742 CG TRP A 97 -46.241 83.247 -5.178 1.00 0.00 C
744
+ ATOM 743 CD1 TRP A 97 -47.573 83.551 -5.143 1.00 0.00 C
745
+ ATOM 744 CD2 TRP A 97 -46.082 82.049 -4.414 1.00 0.00 C
746
+ ATOM 745 CE2 TRP A 97 -47.362 81.680 -3.943 1.00 0.00 C
747
+ ATOM 746 CE3 TRP A 97 -44.981 81.249 -4.081 1.00 0.00 C
748
+ ATOM 747 NE1 TRP A 97 -48.253 82.613 -4.401 1.00 0.00 N
749
+ ATOM 748 CH2 TRP A 97 -46.475 79.780 -2.844 1.00 0.00 C
750
+ ATOM 749 CZ2 TRP A 97 -47.570 80.546 -3.155 1.00 0.00 C
751
+ ATOM 750 CZ3 TRP A 97 -45.190 80.119 -3.297 1.00 0.00 C
752
+ ATOM 751 N ASP A 98 -45.422 87.082 -4.634 1.00 0.00 N
753
+ ATOM 752 CA ASP A 98 -46.445 88.003 -4.149 1.00 0.00 C
754
+ ATOM 753 C ASP A 98 -46.476 88.034 -2.623 1.00 0.00 C
755
+ ATOM 754 CB ASP A 98 -47.820 87.615 -4.696 1.00 0.00 C
756
+ ATOM 755 O ASP A 98 -47.549 87.965 -2.017 1.00 0.00 O
757
+ ATOM 756 CG ASP A 98 -47.934 87.801 -6.199 1.00 0.00 C
758
+ ATOM 757 OD1 ASP A 98 -47.152 88.586 -6.778 1.00 0.00 O
759
+ ATOM 758 OD2 ASP A 98 -48.816 87.160 -6.809 1.00 0.00 O
760
+ ATOM 759 N GLY A 99 -45.364 87.960 -1.964 1.00 0.00 N
761
+ ATOM 760 CA GLY A 99 -45.291 88.048 -0.514 1.00 0.00 C
762
+ ATOM 761 C GLY A 99 -45.556 86.725 0.179 1.00 0.00 C
763
+ ATOM 762 O GLY A 99 -45.583 86.657 1.409 1.00 0.00 O
764
+ ATOM 763 N LYS A 100 -45.865 85.642 -0.556 1.00 0.00 N
765
+ ATOM 764 CA LYS A 100 -46.085 84.289 -0.050 1.00 0.00 C
766
+ ATOM 765 C LYS A 100 -44.857 83.412 -0.275 1.00 0.00 C
767
+ ATOM 766 CB LYS A 100 -47.308 83.659 -0.718 1.00 0.00 C
768
+ ATOM 767 O LYS A 100 -44.004 83.729 -1.106 1.00 0.00 O
769
+ ATOM 768 CG LYS A 100 -48.608 84.409 -0.462 1.00 0.00 C
770
+ ATOM 769 CD LYS A 100 -49.781 83.755 -1.181 1.00 0.00 C
771
+ ATOM 770 CE LYS A 100 -51.061 84.562 -1.011 1.00 0.00 C
772
+ ATOM 771 NZ LYS A 100 -52.197 83.964 -1.774 1.00 0.00 N
773
+ ATOM 772 N SER A 101 -44.816 82.410 0.458 1.00 0.00 N
774
+ ATOM 773 CA SER A 101 -43.720 81.457 0.314 1.00 0.00 C
775
+ ATOM 774 C SER A 101 -44.164 80.044 0.676 1.00 0.00 C
776
+ ATOM 775 CB SER A 101 -42.534 81.868 1.189 1.00 0.00 C
777
+ ATOM 776 O SER A 101 -45.027 79.861 1.537 1.00 0.00 O
778
+ ATOM 777 OG SER A 101 -42.842 81.703 2.563 1.00 0.00 O
779
+ ATOM 778 N THR A 102 -43.647 79.142 -0.036 1.00 0.00 N
780
+ ATOM 779 CA THR A 102 -43.803 77.737 0.322 1.00 0.00 C
781
+ ATOM 780 C THR A 102 -42.459 77.016 0.280 1.00 0.00 C
782
+ ATOM 781 CB THR A 102 -44.797 77.030 -0.618 1.00 0.00 C
783
+ ATOM 782 O THR A 102 -41.537 77.450 -0.415 1.00 0.00 O
784
+ ATOM 783 CG2 THR A 102 -44.263 76.975 -2.045 1.00 0.00 C
785
+ ATOM 784 OG1 THR A 102 -45.017 75.692 -0.151 1.00 0.00 O
786
+ ATOM 785 N THR A 103 -42.366 75.948 1.052 1.00 0.00 N
787
+ ATOM 786 CA THR A 103 -41.160 75.129 1.119 1.00 0.00 C
788
+ ATOM 787 C THR A 103 -41.448 73.703 0.659 1.00 0.00 C
789
+ ATOM 788 CB THR A 103 -40.582 75.103 2.547 1.00 0.00 C
790
+ ATOM 789 O THR A 103 -42.455 73.111 1.049 1.00 0.00 O
791
+ ATOM 790 CG2 THR A 103 -39.320 74.250 2.614 1.00 0.00 C
792
+ ATOM 791 OG1 THR A 103 -40.263 76.441 2.950 1.00 0.00 O
793
+ ATOM 792 N ILE A 104 -40.627 73.192 -0.177 1.00 0.00 N
794
+ ATOM 793 CA ILE A 104 -40.681 71.811 -0.647 1.00 0.00 C
795
+ ATOM 794 C ILE A 104 -39.385 71.091 -0.282 1.00 0.00 C
796
+ ATOM 795 CB ILE A 104 -40.922 71.743 -2.172 1.00 0.00 C
797
+ ATOM 796 O ILE A 104 -38.300 71.505 -0.697 1.00 0.00 O
798
+ ATOM 797 CG1 ILE A 104 -42.164 72.556 -2.554 1.00 0.00 C
799
+ ATOM 798 CG2 ILE A 104 -41.055 70.289 -2.633 1.00 0.00 C
800
+ ATOM 799 CD1 ILE A 104 -42.312 72.794 -4.050 1.00 0.00 C
801
+ ATOM 800 N LYS A 105 -39.518 70.091 0.500 1.00 0.00 N
802
+ ATOM 801 CA LYS A 105 -38.374 69.297 0.942 1.00 0.00 C
803
+ ATOM 802 C LYS A 105 -38.415 67.893 0.346 1.00 0.00 C
804
+ ATOM 803 CB LYS A 105 -38.334 69.218 2.469 1.00 0.00 C
805
+ ATOM 804 O LYS A 105 -39.410 67.180 0.493 1.00 0.00 O
806
+ ATOM 805 CG LYS A 105 -37.076 68.566 3.023 1.00 0.00 C
807
+ ATOM 806 CD LYS A 105 -37.060 68.585 4.545 1.00 0.00 C
808
+ ATOM 807 CE LYS A 105 -35.819 67.899 5.100 1.00 0.00 C
809
+ ATOM 808 NZ LYS A 105 -35.808 67.899 6.595 1.00 0.00 N
810
+ ATOM 809 N ARG A 106 -37.343 67.505 -0.293 1.00 0.00 N
811
+ ATOM 810 CA ARG A 106 -37.174 66.159 -0.830 1.00 0.00 C
812
+ ATOM 811 C ARG A 106 -36.099 65.394 -0.066 1.00 0.00 C
813
+ ATOM 812 CB ARG A 106 -36.819 66.214 -2.319 1.00 0.00 C
814
+ ATOM 813 O ARG A 106 -34.920 65.750 -0.120 1.00 0.00 O
815
+ ATOM 814 CG ARG A 106 -37.884 66.872 -3.181 1.00 0.00 C
816
+ ATOM 815 CD ARG A 106 -37.401 67.084 -4.610 1.00 0.00 C
817
+ ATOM 816 NE ARG A 106 -38.393 67.790 -5.415 1.00 0.00 N
818
+ ATOM 817 NH1 ARG A 106 -37.921 69.875 -4.540 1.00 0.00 N
819
+ ATOM 818 NH2 ARG A 106 -39.544 69.640 -6.141 1.00 0.00 N
820
+ ATOM 819 CZ ARG A 106 -38.617 69.100 -5.363 1.00 0.00 C
821
+ ATOM 820 N LYS A 107 -36.524 64.364 0.567 1.00 0.00 N
822
+ ATOM 821 CA LYS A 107 -35.617 63.556 1.375 1.00 0.00 C
823
+ ATOM 822 C LYS A 107 -35.635 62.097 0.928 1.00 0.00 C
824
+ ATOM 823 CB LYS A 107 -35.984 63.654 2.856 1.00 0.00 C
825
+ ATOM 824 O LYS A 107 -36.704 61.498 0.787 1.00 0.00 O
826
+ ATOM 825 CG LYS A 107 -35.032 62.910 3.781 1.00 0.00 C
827
+ ATOM 826 CD LYS A 107 -35.437 63.065 5.242 1.00 0.00 C
828
+ ATOM 827 CE LYS A 107 -34.505 62.292 6.166 1.00 0.00 C
829
+ ATOM 828 NZ LYS A 107 -34.911 62.421 7.597 1.00 0.00 N
830
+ ATOM 829 N ARG A 108 -34.446 61.630 0.793 1.00 0.00 N
831
+ ATOM 830 CA ARG A 108 -34.338 60.210 0.473 1.00 0.00 C
832
+ ATOM 831 C ARG A 108 -34.301 59.364 1.740 1.00 0.00 C
833
+ ATOM 832 CB ARG A 108 -33.091 59.943 -0.373 1.00 0.00 C
834
+ ATOM 833 O ARG A 108 -33.638 59.725 2.715 1.00 0.00 O
835
+ ATOM 834 CG ARG A 108 -33.061 58.562 -1.007 1.00 0.00 C
836
+ ATOM 835 CD ARG A 108 -31.763 58.316 -1.764 1.00 0.00 C
837
+ ATOM 836 NE ARG A 108 -30.647 58.070 -0.855 1.00 0.00 N
838
+ ATOM 837 NH1 ARG A 108 -29.257 57.181 -2.472 1.00 0.00 N
839
+ ATOM 838 NH2 ARG A 108 -28.535 57.356 -0.303 1.00 0.00 N
840
+ ATOM 839 CZ ARG A 108 -29.483 57.537 -1.212 1.00 0.00 C
841
+ ATOM 840 N ASP A 109 -35.049 58.365 1.682 1.00 0.00 N
842
+ ATOM 841 CA ASP A 109 -35.042 57.293 2.671 1.00 0.00 C
843
+ ATOM 842 C ASP A 109 -34.927 55.926 1.998 1.00 0.00 C
844
+ ATOM 843 CB ASP A 109 -36.303 57.350 3.534 1.00 0.00 C
845
+ ATOM 844 O ASP A 109 -35.935 55.337 1.603 1.00 0.00 O
846
+ ATOM 845 CG ASP A 109 -36.275 56.368 4.692 1.00 0.00 C
847
+ ATOM 846 OD1 ASP A 109 -35.195 55.823 5.004 1.00 0.00 O
848
+ ATOM 847 OD2 ASP A 109 -37.344 56.134 5.297 1.00 0.00 O
849
+ ATOM 848 N GLY A 110 -33.713 55.465 1.838 1.00 0.00 N
850
+ ATOM 849 CA GLY A 110 -33.500 54.265 1.046 1.00 0.00 C
851
+ ATOM 850 C GLY A 110 -33.984 54.400 -0.385 1.00 0.00 C
852
+ ATOM 851 O GLY A 110 -33.540 55.288 -1.115 1.00 0.00 O
853
+ ATOM 852 N ASP A 111 -34.928 53.566 -0.826 1.00 0.00 N
854
+ ATOM 853 CA ASP A 111 -35.453 53.569 -2.189 1.00 0.00 C
855
+ ATOM 854 C ASP A 111 -36.738 54.389 -2.279 1.00 0.00 C
856
+ ATOM 855 CB ASP A 111 -35.709 52.139 -2.669 1.00 0.00 C
857
+ ATOM 856 O ASP A 111 -37.500 54.255 -3.239 1.00 0.00 O
858
+ ATOM 857 CG ASP A 111 -34.429 51.371 -2.951 1.00 0.00 C
859
+ ATOM 858 OD1 ASP A 111 -33.380 52.004 -3.199 1.00 0.00 O
860
+ ATOM 859 OD2 ASP A 111 -34.470 50.122 -2.929 1.00 0.00 O
861
+ ATOM 860 N LYS A 112 -36.926 55.208 -1.215 1.00 0.00 N
862
+ ATOM 861 CA LYS A 112 -38.076 56.107 -1.211 1.00 0.00 C
863
+ ATOM 862 C LYS A 112 -37.633 57.568 -1.235 1.00 0.00 C
864
+ ATOM 863 CB LYS A 112 -38.956 55.847 0.012 1.00 0.00 C
865
+ ATOM 864 O LYS A 112 -36.590 57.914 -0.675 1.00 0.00 O
866
+ ATOM 865 CG LYS A 112 -39.619 54.477 0.018 1.00 0.00 C
867
+ ATOM 866 CD LYS A 112 -40.511 54.291 1.237 1.00 0.00 C
868
+ ATOM 867 CE LYS A 112 -41.146 52.908 1.263 1.00 0.00 C
869
+ ATOM 868 NZ LYS A 112 -42.012 52.718 2.464 1.00 0.00 N
870
+ ATOM 869 N LEU A 113 -38.379 58.289 -1.971 1.00 0.00 N
871
+ ATOM 870 CA LEU A 113 -38.255 59.742 -1.964 1.00 0.00 C
872
+ ATOM 871 C LEU A 113 -39.486 60.390 -1.337 1.00 0.00 C
873
+ ATOM 872 CB LEU A 113 -38.054 60.271 -3.386 1.00 0.00 C
874
+ ATOM 873 O LEU A 113 -40.600 60.230 -1.840 1.00 0.00 O
875
+ ATOM 874 CG LEU A 113 -37.829 61.778 -3.524 1.00 0.00 C
876
+ ATOM 875 CD1 LEU A 113 -36.491 62.173 -2.908 1.00 0.00 C
877
+ ATOM 876 CD2 LEU A 113 -37.894 62.197 -4.989 1.00 0.00 C
878
+ ATOM 877 N VAL A 114 -39.236 61.027 -0.178 1.00 0.00 N
879
+ ATOM 878 CA VAL A 114 -40.325 61.686 0.535 1.00 0.00 C
880
+ ATOM 879 C VAL A 114 -40.301 63.185 0.243 1.00 0.00 C
881
+ ATOM 880 CB VAL A 114 -40.241 61.438 2.057 1.00 0.00 C
882
+ ATOM 881 O VAL A 114 -39.294 63.855 0.486 1.00 0.00 O
883
+ ATOM 882 CG1 VAL A 114 -41.397 62.125 2.782 1.00 0.00 C
884
+ ATOM 883 CG2 VAL A 114 -40.235 59.939 2.354 1.00 0.00 C
885
+ ATOM 884 N VAL A 115 -41.392 63.640 -0.281 1.00 0.00 N
886
+ ATOM 885 CA VAL A 115 -41.534 65.053 -0.621 1.00 0.00 C
887
+ ATOM 886 C VAL A 115 -42.535 65.715 0.322 1.00 0.00 C
888
+ ATOM 887 CB VAL A 115 -41.979 65.240 -2.090 1.00 0.00 C
889
+ ATOM 888 O VAL A 115 -43.701 65.320 0.376 1.00 0.00 O
890
+ ATOM 889 CG1 VAL A 115 -42.109 66.724 -2.429 1.00 0.00 C
891
+ ATOM 890 CG2 VAL A 115 -40.997 64.556 -3.037 1.00 0.00 C
892
+ ATOM 891 N GLU A 116 -42.078 66.628 1.099 1.00 0.00 N
893
+ ATOM 892 CA GLU A 116 -42.921 67.410 1.999 1.00 0.00 C
894
+ ATOM 893 C GLU A 116 -43.092 68.839 1.492 1.00 0.00 C
895
+ ATOM 894 CB GLU A 116 -42.333 67.420 3.412 1.00 0.00 C
896
+ ATOM 895 O GLU A 116 -42.107 69.552 1.285 1.00 0.00 O
897
+ ATOM 896 CG GLU A 116 -42.295 66.049 4.072 1.00 0.00 C
898
+ ATOM 897 CD GLU A 116 -41.754 66.082 5.493 1.00 0.00 C
899
+ ATOM 898 OE1 GLU A 116 -40.763 66.802 5.749 1.00 0.00 O
900
+ ATOM 899 OE2 GLU A 116 -42.327 65.380 6.357 1.00 0.00 O
901
+ ATOM 900 N CYS A 117 -44.317 69.255 1.370 1.00 0.00 N
902
+ ATOM 901 CA CYS A 117 -44.662 70.619 0.985 1.00 0.00 C
903
+ ATOM 902 C CYS A 117 -45.357 71.349 2.128 1.00 0.00 C
904
+ ATOM 903 CB CYS A 117 -45.563 70.615 -0.251 1.00 0.00 C
905
+ ATOM 904 O CYS A 117 -46.333 70.850 2.688 1.00 0.00 O
906
+ ATOM 905 SG CYS A 117 -44.912 69.638 -1.623 1.00 0.00 S
907
+ ATOM 906 N VAL A 118 -44.861 72.535 2.429 1.00 0.00 N
908
+ ATOM 907 CA VAL A 118 -45.388 73.248 3.588 1.00 0.00 C
909
+ ATOM 908 C VAL A 118 -45.731 74.684 3.199 1.00 0.00 C
910
+ ATOM 909 CB VAL A 118 -44.385 73.240 4.763 1.00 0.00 C
911
+ ATOM 910 O VAL A 118 -44.906 75.390 2.615 1.00 0.00 O
912
+ ATOM 911 CG1 VAL A 118 -44.965 73.970 5.974 1.00 0.00 C
913
+ ATOM 912 CG2 VAL A 118 -44.006 71.807 5.132 1.00 0.00 C
914
+ ATOM 913 N MET A 119 -46.876 75.088 3.571 1.00 0.00 N
915
+ ATOM 914 CA MET A 119 -47.313 76.478 3.471 1.00 0.00 C
916
+ ATOM 915 C MET A 119 -48.276 76.829 4.600 1.00 0.00 C
917
+ ATOM 916 CB MET A 119 -47.978 76.736 2.117 1.00 0.00 C
918
+ ATOM 917 O MET A 119 -49.322 76.194 4.750 1.00 0.00 O
919
+ ATOM 918 CG MET A 119 -48.364 78.189 1.892 1.00 0.00 C
920
+ ATOM 919 SD MET A 119 -48.972 78.498 0.188 1.00 0.00 S
921
+ ATOM 920 CE MET A 119 -49.243 80.291 0.266 1.00 0.00 C
922
+ ATOM 921 N LYS A 120 -47.894 77.931 5.344 1.00 0.00 N
923
+ ATOM 922 CA LYS A 120 -48.738 78.444 6.418 1.00 0.00 C
924
+ ATOM 923 C LYS A 120 -49.257 77.313 7.300 1.00 0.00 C
925
+ ATOM 924 CB LYS A 120 -49.911 79.241 5.846 1.00 0.00 C
926
+ ATOM 925 O LYS A 120 -50.454 77.239 7.587 1.00 0.00 O
927
+ ATOM 926 CG LYS A 120 -49.503 80.536 5.157 1.00 0.00 C
928
+ ATOM 927 CD LYS A 120 -50.717 81.367 4.764 1.00 0.00 C
929
+ ATOM 928 CE LYS A 120 -50.309 82.708 4.168 1.00 0.00 C
930
+ ATOM 929 NZ LYS A 120 -51.496 83.519 3.763 1.00 0.00 N
931
+ ATOM 930 N GLY A 121 -48.428 76.311 7.621 1.00 0.00 N
932
+ ATOM 931 CA GLY A 121 -48.746 75.272 8.587 1.00 0.00 C
933
+ ATOM 932 C GLY A 121 -49.440 74.073 7.969 1.00 0.00 C
934
+ ATOM 933 O GLY A 121 -49.677 73.069 8.643 1.00 0.00 O
935
+ ATOM 934 N VAL A 122 -49.919 74.239 6.690 1.00 0.00 N
936
+ ATOM 935 CA VAL A 122 -50.465 73.094 5.968 1.00 0.00 C
937
+ ATOM 936 C VAL A 122 -49.329 72.289 5.342 1.00 0.00 C
938
+ ATOM 937 CB VAL A 122 -51.468 73.536 4.878 1.00 0.00 C
939
+ ATOM 938 O VAL A 122 -48.512 72.833 4.594 1.00 0.00 O
940
+ ATOM 939 CG1 VAL A 122 -52.009 72.326 4.121 1.00 0.00 C
941
+ ATOM 940 CG2 VAL A 122 -52.611 74.336 5.500 1.00 0.00 C
942
+ ATOM 941 N THR A 123 -49.262 71.010 5.661 1.00 0.00 N
943
+ ATOM 942 CA THR A 123 -48.213 70.125 5.167 1.00 0.00 C
944
+ ATOM 943 C THR A 123 -48.805 69.009 4.310 1.00 0.00 C
945
+ ATOM 944 CB THR A 123 -47.408 69.512 6.328 1.00 0.00 C
946
+ ATOM 945 O THR A 123 -49.784 68.371 4.703 1.00 0.00 O
947
+ ATOM 946 CG2 THR A 123 -46.315 68.582 5.809 1.00 0.00 C
948
+ ATOM 947 OG1 THR A 123 -46.802 70.564 7.090 1.00 0.00 O
949
+ ATOM 948 N SER A 124 -48.228 68.864 3.187 1.00 0.00 N
950
+ ATOM 949 CA SER A 124 -48.509 67.707 2.343 1.00 0.00 C
951
+ ATOM 950 C SER A 124 -47.288 66.800 2.224 1.00 0.00 C
952
+ ATOM 951 CB SER A 124 -48.960 68.154 0.952 1.00 0.00 C
953
+ ATOM 952 O SER A 124 -46.152 67.278 2.216 1.00 0.00 O
954
+ ATOM 953 OG SER A 124 -47.861 68.205 0.060 1.00 0.00 O
955
+ ATOM 954 N THR A 125 -47.552 65.530 2.213 1.00 0.00 N
956
+ ATOM 955 CA THR A 125 -46.488 64.544 2.055 1.00 0.00 C
957
+ ATOM 956 C THR A 125 -46.782 63.613 0.883 1.00 0.00 C
958
+ ATOM 957 CB THR A 125 -46.300 63.715 3.338 1.00 0.00 C
959
+ ATOM 958 O THR A 125 -47.863 63.027 0.805 1.00 0.00 O
960
+ ATOM 959 CG2 THR A 125 -45.146 62.729 3.191 1.00 0.00 C
961
+ ATOM 960 OG1 THR A 125 -46.025 64.597 4.434 1.00 0.00 O
962
+ ATOM 961 N ARG A 126 -45.854 63.524 0.011 1.00 0.00 N
963
+ ATOM 962 CA ARG A 126 -45.907 62.569 -1.091 1.00 0.00 C
964
+ ATOM 963 C ARG A 126 -44.704 61.632 -1.062 1.00 0.00 C
965
+ ATOM 964 CB ARG A 126 -45.968 63.300 -2.434 1.00 0.00 C
966
+ ATOM 965 O ARG A 126 -43.577 62.066 -0.814 1.00 0.00 O
967
+ ATOM 966 CG ARG A 126 -47.205 64.167 -2.608 1.00 0.00 C
968
+ ATOM 967 CD ARG A 126 -47.226 64.855 -3.965 1.00 0.00 C
969
+ ATOM 968 NE ARG A 126 -47.712 63.965 -5.014 1.00 0.00 N
970
+ ATOM 969 NH1 ARG A 126 -47.213 65.401 -6.753 1.00 0.00 N
971
+ ATOM 970 NH2 ARG A 126 -48.161 63.360 -7.184 1.00 0.00 N
972
+ ATOM 971 CZ ARG A 126 -47.694 64.244 -6.315 1.00 0.00 C
973
+ ATOM 972 N VAL A 127 -44.968 60.395 -1.310 1.00 0.00 N
974
+ ATOM 973 CA VAL A 127 -43.904 59.398 -1.283 1.00 0.00 C
975
+ ATOM 974 C VAL A 127 -43.748 58.772 -2.667 1.00 0.00 C
976
+ ATOM 975 CB VAL A 127 -44.178 58.302 -0.229 1.00 0.00 C
977
+ ATOM 976 O VAL A 127 -44.730 58.335 -3.272 1.00 0.00 O
978
+ ATOM 977 CG1 VAL A 127 -43.059 57.262 -0.229 1.00 0.00 C
979
+ ATOM 978 CG2 VAL A 127 -44.336 58.923 1.157 1.00 0.00 C
980
+ ATOM 979 N TYR A 128 -42.527 58.808 -3.132 1.00 0.00 N
981
+ ATOM 980 CA TYR A 128 -42.151 58.161 -4.384 1.00 0.00 C
982
+ ATOM 981 C TYR A 128 -41.271 56.943 -4.125 1.00 0.00 C
983
+ ATOM 982 CB TYR A 128 -41.420 59.147 -5.301 1.00 0.00 C
984
+ ATOM 983 O TYR A 128 -40.564 56.884 -3.116 1.00 0.00 O
985
+ ATOM 984 CG TYR A 128 -42.249 60.350 -5.681 1.00 0.00 C
986
+ ATOM 985 CD1 TYR A 128 -42.758 60.490 -6.970 1.00 0.00 C
987
+ ATOM 986 CD2 TYR A 128 -42.522 61.350 -4.753 1.00 0.00 C
988
+ ATOM 987 CE1 TYR A 128 -43.521 61.598 -7.325 1.00 0.00 C
989
+ ATOM 988 CE2 TYR A 128 -43.283 62.462 -5.098 1.00 0.00 C
990
+ ATOM 989 OH TYR A 128 -44.533 63.675 -6.730 1.00 0.00 O
991
+ ATOM 990 CZ TYR A 128 -43.778 62.576 -6.383 1.00 0.00 C
992
+ ATOM 991 N GLU A 129 -41.331 56.007 -5.029 1.00 0.00 N
993
+ ATOM 992 CA GLU A 129 -40.439 54.851 -5.025 1.00 0.00 C
994
+ ATOM 993 C GLU A 129 -39.627 54.777 -6.315 1.00 0.00 C
995
+ ATOM 994 CB GLU A 129 -41.235 53.558 -4.828 1.00 0.00 C
996
+ ATOM 995 O GLU A 129 -40.090 55.210 -7.373 1.00 0.00 O
997
+ ATOM 996 CG GLU A 129 -41.772 53.376 -3.416 1.00 0.00 C
998
+ ATOM 997 CD GLU A 129 -42.597 52.111 -3.246 1.00 0.00 C
999
+ ATOM 998 OE1 GLU A 129 -42.812 51.387 -4.246 1.00 0.00 O
1000
+ ATOM 999 OE2 GLU A 129 -43.033 51.839 -2.105 1.00 0.00 O
1001
+ ATOM 1000 N ARG A 130 -38.454 54.235 -6.201 1.00 0.00 N
1002
+ ATOM 1001 CA ARG A 130 -37.628 54.074 -7.394 1.00 0.00 C
1003
+ ATOM 1002 C ARG A 130 -38.311 53.171 -8.416 1.00 0.00 C
1004
+ ATOM 1003 CB ARG A 130 -36.256 53.506 -7.025 1.00 0.00 C
1005
+ ATOM 1004 O ARG A 130 -38.884 52.140 -8.056 1.00 0.00 O
1006
+ ATOM 1005 CG ARG A 130 -35.309 54.528 -6.418 1.00 0.00 C
1007
+ ATOM 1006 CD ARG A 130 -33.895 53.977 -6.287 1.00 0.00 C
1008
+ ATOM 1007 NE ARG A 130 -33.097 54.763 -5.349 1.00 0.00 N
1009
+ ATOM 1008 NH1 ARG A 130 -32.409 56.315 -6.916 1.00 0.00 N
1010
+ ATOM 1009 NH2 ARG A 130 -31.716 56.493 -4.738 1.00 0.00 N
1011
+ ATOM 1010 CZ ARG A 130 -32.409 55.855 -5.671 1.00 0.00 C
1012
+ ATOM 1011 N ALA A 131 -38.294 53.597 -9.635 1.00 0.00 N
1013
+ ATOM 1012 CA ALA A 131 -38.887 52.804 -10.708 1.00 0.00 C
1014
+ ATOM 1013 C ALA A 131 -38.054 51.557 -10.993 1.00 0.00 C
1015
+ ATOM 1014 CB ALA A 131 -39.031 53.645 -11.974 1.00 0.00 C
1016
+ ATOM 1015 O ALA A 131 -36.829 51.577 -10.855 1.00 0.00 O
1017
+ ATOM 1016 OXT ALA A 131 -39.091 51.005 -11.276 1.00 0.00 O
1018
+ TER 1017 ALA A 131
1019
+ END
1g74/1g74_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1i6v/1i6v_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1i6v/1i6v_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1ikt/1ikt_ligand.mol2 ADDED
@@ -0,0 +1,138 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:48 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 1ikt_ligand
7
+ 61 61 1 0 0
8
+ SMALL
9
+ GAST_HUCK
10
+
11
+
12
+ @<TRIPOS>ATOM
13
+ 1 C5 29.5530 28.8300 15.9440 C.3 1 OXN -0.0733
14
+ 2 C1 30.2890 28.7900 17.2730 C.3 1 OXN -0.0462
15
+ 3 C3 29.3270 28.4350 18.4150 C.3 1 OXN -0.0609
16
+ 4 C4 31.3090 27.6510 17.1890 C.3 1 OXN -0.0609
17
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1
+ REMARK 1 CREATED WITH OPENMM 8.0, 2023-02-20
2
+ ATOM 1 N LEU A 1 36.576 19.311 3.643 1.00 0.00 N
3
+ ATOM 2 CA LEU A 1 36.550 20.421 4.592 1.00 0.00 C
4
+ ATOM 3 C LEU A 1 35.915 19.992 5.910 1.00 0.00 C
5
+ ATOM 4 CB LEU A 1 35.784 21.609 4.005 1.00 0.00 C
6
+ ATOM 5 O LEU A 1 34.818 19.432 5.923 1.00 0.00 O
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+ ATOM 6 CG LEU A 1 36.418 22.293 2.793 1.00 0.00 C
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+ ATOM 7 CD1 LEU A 1 35.433 23.271 2.161 1.00 0.00 C
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+ ATOM 8 CD2 LEU A 1 37.704 23.007 3.194 1.00 0.00 C
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+ ATOM 9 N GLN A 2 36.640 20.192 7.107 1.00 0.00 N
11
+ ATOM 10 CA GLN A 2 36.127 19.813 8.420 1.00 0.00 C
12
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13
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14
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15
+ ATOM 14 CG GLN A 2 38.391 19.094 9.366 1.00 0.00 C
16
+ ATOM 15 CD GLN A 2 39.374 19.237 10.512 1.00 0.00 C
17
+ ATOM 16 NE2 GLN A 2 40.614 18.813 10.288 1.00 0.00 N
18
+ ATOM 17 OE1 GLN A 2 39.023 19.725 11.591 1.00 0.00 O
19
+ ATOM 18 N SER A 3 34.738 21.798 8.229 1.00 0.00 N
20
+ ATOM 19 CA SER A 3 33.603 22.673 8.502 1.00 0.00 C
21
+ ATOM 20 C SER A 3 32.297 22.052 8.018 1.00 0.00 C
22
+ ATOM 21 CB SER A 3 33.806 24.035 7.837 1.00 0.00 C
23
+ ATOM 22 O SER A 3 31.223 22.377 8.528 1.00 0.00 O
24
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25
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26
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27
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28
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29
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30
+ ATOM 29 CG2 THR A 4 30.302 18.815 4.876 1.00 0.00 C
31
+ ATOM 30 OG1 THR A 4 32.092 20.294 4.233 1.00 0.00 O
32
+ ATOM 31 N PHE A 5 31.114 19.150 8.421 1.00 0.00 N
33
+ ATOM 32 CA PHE A 5 30.492 18.401 9.507 1.00 0.00 C
34
+ ATOM 33 C PHE A 5 29.823 19.343 10.500 1.00 0.00 C
35
+ ATOM 34 CB PHE A 5 31.529 17.531 10.225 1.00 0.00 C
36
+ ATOM 35 O PHE A 5 28.772 19.021 11.058 1.00 0.00 O
37
+ ATOM 36 CG PHE A 5 32.045 16.390 9.391 1.00 0.00 C
38
+ ATOM 37 CD1 PHE A 5 31.223 15.318 9.067 1.00 0.00 C
39
+ ATOM 38 CD2 PHE A 5 33.356 16.388 8.931 1.00 0.00 C
40
+ ATOM 39 CE1 PHE A 5 31.698 14.260 8.295 1.00 0.00 C
41
+ ATOM 40 CE2 PHE A 5 33.839 15.336 8.160 1.00 0.00 C
42
+ ATOM 41 CZ PHE A 5 33.009 14.272 7.843 1.00 0.00 C
43
+ ATOM 42 N VAL A 6 30.446 20.465 10.689 1.00 0.00 N
44
+ ATOM 43 CA VAL A 6 29.914 21.437 11.637 1.00 0.00 C
45
+ ATOM 44 C VAL A 6 28.602 22.012 11.105 1.00 0.00 C
46
+ ATOM 45 CB VAL A 6 30.922 22.575 11.909 1.00 0.00 C
47
+ ATOM 46 O VAL A 6 27.612 22.092 11.835 1.00 0.00 O
48
+ ATOM 47 CG1 VAL A 6 30.302 23.644 12.807 1.00 0.00 C
49
+ ATOM 48 CG2 VAL A 6 32.197 22.018 12.540 1.00 0.00 C
50
+ ATOM 49 N PHE A 7 28.567 22.329 9.871 1.00 0.00 N
51
+ ATOM 50 CA PHE A 7 27.363 22.916 9.295 1.00 0.00 C
52
+ ATOM 51 C PHE A 7 26.237 21.891 9.234 1.00 0.00 C
53
+ ATOM 52 CB PHE A 7 27.649 23.466 7.894 1.00 0.00 C
54
+ ATOM 53 O PHE A 7 25.080 22.215 9.508 1.00 0.00 O
55
+ ATOM 54 CG PHE A 7 28.359 24.793 7.897 1.00 0.00 C
56
+ ATOM 55 CD1 PHE A 7 27.704 25.948 8.306 1.00 0.00 C
57
+ ATOM 56 CD2 PHE A 7 29.684 24.885 7.488 1.00 0.00 C
58
+ ATOM 57 CE1 PHE A 7 28.360 27.177 8.309 1.00 0.00 C
59
+ ATOM 58 CE2 PHE A 7 30.345 26.109 7.488 1.00 0.00 C
60
+ ATOM 59 CZ PHE A 7 29.681 27.255 7.899 1.00 0.00 C
61
+ ATOM 60 N GLU A 8 26.595 20.688 8.866 1.00 0.00 N
62
+ ATOM 61 CA GLU A 8 25.591 19.629 8.871 1.00 0.00 C
63
+ ATOM 62 C GLU A 8 25.018 19.419 10.270 1.00 0.00 C
64
+ ATOM 63 CB GLU A 8 26.187 18.320 8.345 1.00 0.00 C
65
+ ATOM 64 O GLU A 8 23.813 19.212 10.427 1.00 0.00 O
66
+ ATOM 65 CG GLU A 8 26.486 18.337 6.853 1.00 0.00 C
67
+ ATOM 66 CD GLU A 8 27.143 17.058 6.359 1.00 0.00 C
68
+ ATOM 67 OE1 GLU A 8 27.565 16.228 7.197 1.00 0.00 O
69
+ ATOM 68 OE2 GLU A 8 27.237 16.883 5.123 1.00 0.00 O
70
+ ATOM 69 N GLU A 9 25.916 19.441 11.235 1.00 0.00 N
71
+ ATOM 70 CA GLU A 9 25.470 19.284 12.617 1.00 0.00 C
72
+ ATOM 71 C GLU A 9 24.566 20.438 13.039 1.00 0.00 C
73
+ ATOM 72 CB GLU A 9 26.670 19.182 13.561 1.00 0.00 C
74
+ ATOM 73 O GLU A 9 23.546 20.226 13.700 1.00 0.00 O
75
+ ATOM 74 CG GLU A 9 26.288 19.027 15.026 1.00 0.00 C
76
+ ATOM 75 CD GLU A 9 25.470 17.777 15.304 1.00 0.00 C
77
+ ATOM 76 OE1 GLU A 9 25.444 16.865 14.446 1.00 0.00 O
78
+ ATOM 77 OE2 GLU A 9 24.849 17.708 16.389 1.00 0.00 O
79
+ ATOM 78 N ILE A 10 24.873 21.666 12.658 1.00 0.00 N
80
+ ATOM 79 CA ILE A 10 24.015 22.813 12.929 1.00 0.00 C
81
+ ATOM 80 C ILE A 10 22.646 22.597 12.289 1.00 0.00 C
82
+ ATOM 81 CB ILE A 10 24.647 24.126 12.413 1.00 0.00 C
83
+ ATOM 82 O ILE A 10 21.614 22.833 12.921 1.00 0.00 O
84
+ ATOM 83 CG1 ILE A 10 25.901 24.469 13.223 1.00 0.00 C
85
+ ATOM 84 CG2 ILE A 10 23.631 25.270 12.463 1.00 0.00 C
86
+ ATOM 85 CD1 ILE A 10 26.710 25.625 12.650 1.00 0.00 C
87
+ ATOM 86 N GLY A 11 22.627 22.179 11.075 1.00 0.00 N
88
+ ATOM 87 CA GLY A 11 21.377 21.893 10.391 1.00 0.00 C
89
+ ATOM 88 C GLY A 11 20.522 20.868 11.112 1.00 0.00 C
90
+ ATOM 89 O GLY A 11 19.302 21.018 11.196 1.00 0.00 O
91
+ ATOM 90 N ARG A 12 21.152 19.845 11.593 1.00 0.00 N
92
+ ATOM 91 CA ARG A 12 20.437 18.814 12.339 1.00 0.00 C
93
+ ATOM 92 C ARG A 12 19.843 19.379 13.625 1.00 0.00 C
94
+ ATOM 93 CB ARG A 12 21.367 17.642 12.662 1.00 0.00 C
95
+ ATOM 94 O ARG A 12 18.694 19.087 13.964 1.00 0.00 O
96
+ ATOM 95 CG ARG A 12 21.691 16.763 11.465 1.00 0.00 C
97
+ ATOM 96 CD ARG A 12 22.388 15.476 11.882 1.00 0.00 C
98
+ ATOM 97 NE ARG A 12 23.776 15.715 12.266 1.00 0.00 N
99
+ ATOM 98 NH1 ARG A 12 23.891 13.940 13.740 1.00 0.00 N
100
+ ATOM 99 NH2 ARG A 12 25.718 15.287 13.414 1.00 0.00 N
101
+ ATOM 100 CZ ARG A 12 24.459 14.980 13.139 1.00 0.00 C
102
+ ATOM 101 N ARG A 13 20.553 20.241 14.234 1.00 0.00 N
103
+ ATOM 102 CA ARG A 13 20.105 20.780 15.515 1.00 0.00 C
104
+ ATOM 103 C ARG A 13 18.972 21.782 15.322 1.00 0.00 C
105
+ ATOM 104 CB ARG A 13 21.270 21.442 16.256 1.00 0.00 C
106
+ ATOM 105 O ARG A 13 18.116 21.934 16.195 1.00 0.00 O
107
+ ATOM 106 CG ARG A 13 22.304 20.460 16.781 1.00 0.00 C
108
+ ATOM 107 CD ARG A 13 23.341 21.148 17.657 1.00 0.00 C
109
+ ATOM 108 NE ARG A 13 24.364 20.212 18.118 1.00 0.00 N
110
+ ATOM 109 NH1 ARG A 13 25.034 21.507 19.910 1.00 0.00 N
111
+ ATOM 110 NH2 ARG A 13 26.042 19.487 19.509 1.00 0.00 N
112
+ ATOM 111 CZ ARG A 13 25.144 20.404 19.178 1.00 0.00 C
113
+ ATOM 112 N LEU A 14 19.021 22.448 14.254 1.00 0.00 N
114
+ ATOM 113 CA LEU A 14 17.992 23.444 13.976 1.00 0.00 C
115
+ ATOM 114 C LEU A 14 16.620 22.790 13.858 1.00 0.00 C
116
+ ATOM 115 CB LEU A 14 18.319 24.208 12.690 1.00 0.00 C
117
+ ATOM 116 O LEU A 14 15.597 23.438 14.091 1.00 0.00 O
118
+ ATOM 117 CG LEU A 14 19.376 25.306 12.804 1.00 0.00 C
119
+ ATOM 118 CD1 LEU A 14 19.558 26.009 11.463 1.00 0.00 C
120
+ ATOM 119 CD2 LEU A 14 18.996 26.305 13.891 1.00 0.00 C
121
+ ATOM 120 N LYS A 15 16.656 21.521 13.606 1.00 0.00 N
122
+ ATOM 121 CA LYS A 15 15.380 20.814 13.543 1.00 0.00 C
123
+ ATOM 122 C LYS A 15 14.667 20.842 14.892 1.00 0.00 C
124
+ ATOM 123 CB LYS A 15 15.589 19.368 13.091 1.00 0.00 C
125
+ ATOM 124 O LYS A 15 13.437 20.900 14.949 1.00 0.00 O
126
+ ATOM 125 CG LYS A 15 16.006 19.228 11.634 1.00 0.00 C
127
+ ATOM 126 CD LYS A 15 16.129 17.766 11.225 1.00 0.00 C
128
+ ATOM 127 CE LYS A 15 16.601 17.626 9.784 1.00 0.00 C
129
+ ATOM 128 NZ LYS A 15 16.811 16.196 9.407 1.00 0.00 N
130
+ ATOM 129 N ASP A 16 15.445 20.880 15.914 1.00 0.00 N
131
+ ATOM 130 CA ASP A 16 14.877 20.808 17.256 1.00 0.00 C
132
+ ATOM 131 C ASP A 16 14.678 22.203 17.845 1.00 0.00 C
133
+ ATOM 132 CB ASP A 16 15.772 19.972 18.174 1.00 0.00 C
134
+ ATOM 133 O ASP A 16 13.692 22.455 18.540 1.00 0.00 O
135
+ ATOM 134 CG ASP A 16 15.825 18.508 17.777 1.00 0.00 C
136
+ ATOM 135 OD1 ASP A 16 14.816 17.978 17.265 1.00 0.00 O
137
+ ATOM 136 OD2 ASP A 16 16.884 17.877 17.982 1.00 0.00 O
138
+ ATOM 137 N ILE A 17 15.556 23.157 17.553 1.00 0.00 N
139
+ ATOM 138 CA ILE A 17 15.535 24.440 18.249 1.00 0.00 C
140
+ ATOM 139 C ILE A 17 15.320 25.569 17.244 1.00 0.00 C
141
+ ATOM 140 CB ILE A 17 16.840 24.672 19.044 1.00 0.00 C
142
+ ATOM 141 O ILE A 17 15.478 26.744 17.579 1.00 0.00 O
143
+ ATOM 142 CG1 ILE A 17 18.052 24.635 18.106 1.00 0.00 C
144
+ ATOM 143 CG2 ILE A 17 16.982 23.636 20.163 1.00 0.00 C
145
+ ATOM 144 CD1 ILE A 17 19.330 25.186 18.723 1.00 0.00 C
146
+ ATOM 145 N GLY A 18 15.001 25.243 16.080 1.00 0.00 N
147
+ ATOM 146 CA GLY A 18 14.942 26.179 14.969 1.00 0.00 C
148
+ ATOM 147 C GLY A 18 14.067 27.386 15.251 1.00 0.00 C
149
+ ATOM 148 O GLY A 18 14.551 28.519 15.269 1.00 0.00 O
150
+ ATOM 149 N PRO A 19 12.793 27.122 15.557 1.00 0.00 N
151
+ ATOM 150 CA PRO A 19 11.882 28.257 15.717 1.00 0.00 C
152
+ ATOM 151 C PRO A 19 12.346 29.241 16.788 1.00 0.00 C
153
+ ATOM 152 CB PRO A 19 10.561 27.594 16.120 1.00 0.00 C
154
+ ATOM 153 O PRO A 19 12.170 30.453 16.637 1.00 0.00 O
155
+ ATOM 154 CG PRO A 19 10.615 26.232 15.509 1.00 0.00 C
156
+ ATOM 155 CD PRO A 19 12.041 25.760 15.519 1.00 0.00 C
157
+ ATOM 156 N GLU A 20 12.948 28.819 17.826 1.00 0.00 N
158
+ ATOM 157 CA GLU A 20 13.445 29.706 18.874 1.00 0.00 C
159
+ ATOM 158 C GLU A 20 14.658 30.499 18.396 1.00 0.00 C
160
+ ATOM 159 CB GLU A 20 13.802 28.906 20.130 1.00 0.00 C
161
+ ATOM 160 O GLU A 20 14.771 31.696 18.671 1.00 0.00 O
162
+ ATOM 161 CG GLU A 20 12.593 28.364 20.878 1.00 0.00 C
163
+ ATOM 162 CD GLU A 20 12.961 27.586 22.132 1.00 0.00 C
164
+ ATOM 163 OE1 GLU A 20 14.169 27.467 22.438 1.00 0.00 O
165
+ ATOM 164 OE2 GLU A 20 12.034 27.093 22.812 1.00 0.00 O
166
+ ATOM 165 N VAL A 21 15.509 29.839 17.706 1.00 0.00 N
167
+ ATOM 166 CA VAL A 21 16.711 30.499 17.207 1.00 0.00 C
168
+ ATOM 167 C VAL A 21 16.332 31.527 16.143 1.00 0.00 C
169
+ ATOM 168 CB VAL A 21 17.720 29.481 16.629 1.00 0.00 C
170
+ ATOM 169 O VAL A 21 16.870 32.636 16.123 1.00 0.00 O
171
+ ATOM 170 CG1 VAL A 21 18.929 30.198 16.033 1.00 0.00 C
172
+ ATOM 171 CG2 VAL A 21 18.158 28.494 17.709 1.00 0.00 C
173
+ ATOM 172 N VAL A 22 15.385 31.172 15.302 1.00 0.00 N
174
+ ATOM 173 CA VAL A 22 14.920 32.054 14.237 1.00 0.00 C
175
+ ATOM 174 C VAL A 22 14.326 33.325 14.841 1.00 0.00 C
176
+ ATOM 175 CB VAL A 22 13.877 31.354 13.336 1.00 0.00 C
177
+ ATOM 176 O VAL A 22 14.606 34.431 14.372 1.00 0.00 O
178
+ ATOM 177 CG1 VAL A 22 13.132 32.375 12.478 1.00 0.00 C
179
+ ATOM 178 CG2 VAL A 22 14.551 30.304 12.456 1.00 0.00 C
180
+ ATOM 179 N LYS A 23 13.568 33.148 15.869 1.00 0.00 N
181
+ ATOM 180 CA LYS A 23 12.947 34.282 16.547 1.00 0.00 C
182
+ ATOM 181 C LYS A 23 14.000 35.188 17.179 1.00 0.00 C
183
+ ATOM 182 CB LYS A 23 11.964 33.797 17.614 1.00 0.00 C
184
+ ATOM 183 O LYS A 23 13.862 36.413 17.163 1.00 0.00 O
185
+ ATOM 184 CG LYS A 23 11.148 34.911 18.256 1.00 0.00 C
186
+ ATOM 185 CD LYS A 23 10.144 34.359 19.259 1.00 0.00 C
187
+ ATOM 186 CE LYS A 23 9.376 35.477 19.954 1.00 0.00 C
188
+ ATOM 187 NZ LYS A 23 8.379 34.940 20.928 1.00 0.00 N
189
+ ATOM 188 N LYS A 24 15.062 34.668 17.662 1.00 0.00 N
190
+ ATOM 189 CA LYS A 24 16.072 35.418 18.401 1.00 0.00 C
191
+ ATOM 190 C LYS A 24 17.071 36.077 17.455 1.00 0.00 C
192
+ ATOM 191 CB LYS A 24 16.806 34.506 19.385 1.00 0.00 C
193
+ ATOM 192 O LYS A 24 17.532 37.192 17.708 1.00 0.00 O
194
+ ATOM 193 CG LYS A 24 15.982 34.120 20.604 1.00 0.00 C
195
+ ATOM 194 CD LYS A 24 16.777 33.241 21.562 1.00 0.00 C
196
+ ATOM 195 CE LYS A 24 15.941 32.824 22.764 1.00 0.00 C
197
+ ATOM 196 NZ LYS A 24 16.700 31.919 23.679 1.00 0.00 N
198
+ ATOM 197 N VAL A 25 17.347 35.482 16.357 1.00 0.00 N
199
+ ATOM 198 CA VAL A 25 18.434 35.939 15.497 1.00 0.00 C
200
+ ATOM 199 C VAL A 25 17.859 36.618 14.256 1.00 0.00 C
201
+ ATOM 200 CB VAL A 25 19.359 34.771 15.085 1.00 0.00 C
202
+ ATOM 201 O VAL A 25 18.260 37.732 13.909 1.00 0.00 O
203
+ ATOM 202 CG1 VAL A 25 20.427 35.250 14.103 1.00 0.00 C
204
+ ATOM 203 CG2 VAL A 25 20.007 34.145 16.319 1.00 0.00 C
205
+ ATOM 204 N ASN A 26 16.918 35.996 13.556 1.00 0.00 N
206
+ ATOM 205 CA ASN A 26 16.220 36.533 12.392 1.00 0.00 C
207
+ ATOM 206 C ASN A 26 17.195 37.120 11.375 1.00 0.00 C
208
+ ATOM 207 CB ASN A 26 15.200 37.589 12.821 1.00 0.00 C
209
+ ATOM 208 O ASN A 26 17.067 38.282 10.985 1.00 0.00 O
210
+ ATOM 209 CG ASN A 26 14.203 37.915 11.726 1.00 0.00 C
211
+ ATOM 210 ND2 ASN A 26 13.625 39.110 11.785 1.00 0.00 N
212
+ ATOM 211 OD1 ASN A 26 13.952 37.100 10.834 1.00 0.00 O
213
+ ATOM 212 N ALA A 27 18.116 36.358 10.900 1.00 0.00 N
214
+ ATOM 213 CA ALA A 27 19.154 36.813 9.978 1.00 0.00 C
215
+ ATOM 214 C ALA A 27 19.635 35.672 9.086 1.00 0.00 C
216
+ ATOM 215 CB ALA A 27 20.328 37.411 10.750 1.00 0.00 C
217
+ ATOM 216 O ALA A 27 19.427 34.498 9.403 1.00 0.00 O
218
+ ATOM 217 N VAL A 28 20.249 36.027 7.966 1.00 0.00 N
219
+ ATOM 218 CA VAL A 28 20.880 35.095 7.038 1.00 0.00 C
220
+ ATOM 219 C VAL A 28 22.394 35.290 7.057 1.00 0.00 C
221
+ ATOM 220 CB VAL A 28 20.339 35.272 5.601 1.00 0.00 C
222
+ ATOM 221 O VAL A 28 22.885 36.409 6.890 1.00 0.00 O
223
+ ATOM 222 CG1 VAL A 28 21.057 34.332 4.634 1.00 0.00 C
224
+ ATOM 223 CG2 VAL A 28 18.831 35.029 5.565 1.00 0.00 C
225
+ ATOM 224 N PHE A 29 23.110 34.232 7.292 1.00 0.00 N
226
+ ATOM 225 CA PHE A 29 24.569 34.220 7.324 1.00 0.00 C
227
+ ATOM 226 C PHE A 29 25.128 33.401 6.166 1.00 0.00 C
228
+ ATOM 227 CB PHE A 29 25.074 33.659 8.656 1.00 0.00 C
229
+ ATOM 228 O PHE A 29 24.749 32.242 5.978 1.00 0.00 O
230
+ ATOM 229 CG PHE A 29 24.556 34.396 9.861 1.00 0.00 C
231
+ ATOM 230 CD1 PHE A 29 25.294 35.425 10.434 1.00 0.00 C
232
+ ATOM 231 CD2 PHE A 29 23.330 34.062 10.421 1.00 0.00 C
233
+ ATOM 232 CE1 PHE A 29 24.817 36.110 11.550 1.00 0.00 C
234
+ ATOM 233 CE2 PHE A 29 22.847 34.742 11.535 1.00 0.00 C
235
+ ATOM 234 CZ PHE A 29 23.592 35.764 12.099 1.00 0.00 C
236
+ ATOM 235 N GLU A 30 25.963 34.010 5.426 1.00 0.00 N
237
+ ATOM 236 CA GLU A 30 26.691 33.291 4.385 1.00 0.00 C
238
+ ATOM 237 C GLU A 30 28.162 33.128 4.753 1.00 0.00 C
239
+ ATOM 238 CB GLU A 30 26.560 34.012 3.041 1.00 0.00 C
240
+ ATOM 239 O GLU A 30 28.830 34.102 5.107 1.00 0.00 O
241
+ ATOM 240 CG GLU A 30 27.185 33.259 1.876 1.00 0.00 C
242
+ ATOM 241 CD GLU A 30 26.976 33.946 0.536 1.00 0.00 C
243
+ ATOM 242 OE1 GLU A 30 25.820 34.007 0.059 1.00 0.00 O
244
+ ATOM 243 OE2 GLU A 30 27.977 34.428 -0.042 1.00 0.00 O
245
+ ATOM 244 N TRP A 31 28.651 31.938 4.621 1.00 0.00 N
246
+ ATOM 245 CA TRP A 31 30.021 31.599 4.989 1.00 0.00 C
247
+ ATOM 246 C TRP A 31 30.832 31.201 3.760 1.00 0.00 C
248
+ ATOM 247 CB TRP A 31 30.037 30.463 6.016 1.00 0.00 C
249
+ ATOM 248 O TRP A 31 30.406 30.349 2.977 1.00 0.00 O
250
+ ATOM 249 CG TRP A 31 29.335 30.792 7.299 1.00 0.00 C
251
+ ATOM 250 CD1 TRP A 31 27.987 30.900 7.497 1.00 0.00 C
252
+ ATOM 251 CD2 TRP A 31 29.949 31.063 8.563 1.00 0.00 C
253
+ ATOM 252 CE2 TRP A 31 28.911 31.326 9.484 1.00 0.00 C
254
+ ATOM 253 CE3 TRP A 31 31.278 31.108 9.007 1.00 0.00 C
255
+ ATOM 254 NE1 TRP A 31 27.725 31.220 8.809 1.00 0.00 N
256
+ ATOM 255 CH2 TRP A 31 30.470 31.667 11.233 1.00 0.00 C
257
+ ATOM 256 CZ2 TRP A 31 29.161 31.630 10.825 1.00 0.00 C
258
+ ATOM 257 CZ3 TRP A 31 31.525 31.410 10.341 1.00 0.00 C
259
+ ATOM 258 N HIS A 32 31.954 31.829 3.583 1.00 0.00 N
260
+ ATOM 259 CA HIS A 32 32.954 31.445 2.595 1.00 0.00 C
261
+ ATOM 260 C HIS A 32 34.160 30.788 3.258 1.00 0.00 C
262
+ ATOM 261 CB HIS A 32 33.401 32.661 1.782 1.00 0.00 C
263
+ ATOM 262 O HIS A 32 34.995 31.471 3.856 1.00 0.00 O
264
+ ATOM 263 CG HIS A 32 32.307 33.269 0.961 1.00 0.00 C
265
+ ATOM 264 CD2 HIS A 32 30.975 33.029 0.938 1.00 0.00 C
266
+ ATOM 265 ND1 HIS A 32 32.539 34.250 0.022 1.00 0.00 N
267
+ ATOM 266 CE1 HIS A 32 31.393 34.590 -0.544 1.00 0.00 C
268
+ ATOM 267 NE2 HIS A 32 30.428 33.864 -0.006 1.00 0.00 N
269
+ ATOM 268 N ILE A 33 34.155 29.449 3.167 1.00 0.00 N
270
+ ATOM 269 CA ILE A 33 35.229 28.681 3.788 1.00 0.00 C
271
+ ATOM 270 C ILE A 33 36.356 28.461 2.781 1.00 0.00 C
272
+ ATOM 271 CB ILE A 33 34.718 27.326 4.325 1.00 0.00 C
273
+ ATOM 272 O ILE A 33 36.141 27.872 1.719 1.00 0.00 O
274
+ ATOM 273 CG1 ILE A 33 33.489 27.534 5.218 1.00 0.00 C
275
+ ATOM 274 CG2 ILE A 33 35.828 26.591 5.082 1.00 0.00 C
276
+ ATOM 275 CD1 ILE A 33 33.758 28.388 6.450 1.00 0.00 C
277
+ ATOM 276 N THR A 34 37.506 28.891 3.151 1.00 0.00 N
278
+ ATOM 277 CA THR A 34 38.610 28.791 2.201 1.00 0.00 C
279
+ ATOM 278 C THR A 34 39.561 27.664 2.594 1.00 0.00 C
280
+ ATOM 279 CB THR A 34 39.389 30.117 2.110 1.00 0.00 C
281
+ ATOM 280 O THR A 34 39.601 27.255 3.756 1.00 0.00 O
282
+ ATOM 281 CG2 THR A 34 38.461 31.278 1.767 1.00 0.00 C
283
+ ATOM 282 OG1 THR A 34 40.020 30.381 3.369 1.00 0.00 O
284
+ ATOM 283 N LYS A 35 40.136 27.159 1.627 1.00 0.00 N
285
+ ATOM 284 CA LYS A 35 41.226 26.197 1.761 1.00 0.00 C
286
+ ATOM 285 C LYS A 35 42.354 26.503 0.780 1.00 0.00 C
287
+ ATOM 286 CB LYS A 35 40.714 24.772 1.543 1.00 0.00 C
288
+ ATOM 287 O LYS A 35 42.122 26.618 -0.425 1.00 0.00 O
289
+ ATOM 288 CG LYS A 35 41.720 23.691 1.910 1.00 0.00 C
290
+ ATOM 289 CD LYS A 35 41.103 22.301 1.822 1.00 0.00 C
291
+ ATOM 290 CE LYS A 35 42.082 21.223 2.269 1.00 0.00 C
292
+ ATOM 291 NZ LYS A 35 41.439 19.876 2.318 1.00 0.00 N
293
+ ATOM 292 N GLY A 36 43.546 26.645 1.356 1.00 0.00 N
294
+ ATOM 293 CA GLY A 36 44.662 26.986 0.489 1.00 0.00 C
295
+ ATOM 294 C GLY A 36 44.490 28.323 -0.207 1.00 0.00 C
296
+ ATOM 295 O GLY A 36 44.910 28.491 -1.354 1.00 0.00 O
297
+ ATOM 296 N GLY A 37 43.779 29.255 0.317 1.00 0.00 N
298
+ ATOM 297 CA GLY A 37 43.604 30.588 -0.238 1.00 0.00 C
299
+ ATOM 298 C GLY A 37 42.435 30.683 -1.202 1.00 0.00 C
300
+ ATOM 299 O GLY A 37 42.147 31.759 -1.730 1.00 0.00 O
301
+ ATOM 300 N ASN A 38 41.854 29.584 -1.562 1.00 0.00 N
302
+ ATOM 301 CA ASN A 38 40.694 29.573 -2.446 1.00 0.00 C
303
+ ATOM 302 C ASN A 38 39.417 29.217 -1.690 1.00 0.00 C
304
+ ATOM 303 CB ASN A 38 40.913 28.598 -3.606 1.00 0.00 C
305
+ ATOM 304 O ASN A 38 39.466 28.533 -0.667 1.00 0.00 O
306
+ ATOM 305 CG ASN A 38 42.104 28.973 -4.466 1.00 0.00 C
307
+ ATOM 306 ND2 ASN A 38 42.941 27.991 -4.780 1.00 0.00 N
308
+ ATOM 307 OD1 ASN A 38 42.270 30.135 -4.845 1.00 0.00 O
309
+ ATOM 308 N ILE A 39 38.377 29.784 -2.259 1.00 0.00 N
310
+ ATOM 309 CA ILE A 39 37.113 29.383 -1.650 1.00 0.00 C
311
+ ATOM 310 C ILE A 39 36.894 27.886 -1.854 1.00 0.00 C
312
+ ATOM 311 CB ILE A 39 35.927 30.183 -2.232 1.00 0.00 C
313
+ ATOM 312 O ILE A 39 36.850 27.408 -2.991 1.00 0.00 O
314
+ ATOM 313 CG1 ILE A 39 36.102 31.680 -1.951 1.00 0.00 C
315
+ ATOM 314 CG2 ILE A 39 34.600 29.671 -1.666 1.00 0.00 C
316
+ ATOM 315 CD1 ILE A 39 35.038 32.560 -2.593 1.00 0.00 C
317
+ ATOM 316 N GLY A 40 36.835 27.161 -0.865 1.00 0.00 N
318
+ ATOM 317 CA GLY A 40 36.600 25.727 -0.902 1.00 0.00 C
319
+ ATOM 318 C GLY A 40 35.129 25.362 -0.870 1.00 0.00 C
320
+ ATOM 319 O GLY A 40 34.694 24.448 -1.574 1.00 0.00 O
321
+ ATOM 320 N ALA A 41 34.367 26.018 0.002 1.00 0.00 N
322
+ ATOM 321 CA ALA A 41 32.929 25.789 0.120 1.00 0.00 C
323
+ ATOM 322 C ALA A 41 32.208 27.047 0.595 1.00 0.00 C
324
+ ATOM 323 CB ALA A 41 32.651 24.629 1.074 1.00 0.00 C
325
+ ATOM 324 O ALA A 41 32.787 27.868 1.312 1.00 0.00 O
326
+ ATOM 325 N LYS A 42 31.006 27.196 0.124 1.00 0.00 N
327
+ ATOM 326 CA LYS A 42 30.089 28.187 0.678 1.00 0.00 C
328
+ ATOM 327 C LYS A 42 28.928 27.515 1.407 1.00 0.00 C
329
+ ATOM 328 CB LYS A 42 29.555 29.101 -0.425 1.00 0.00 C
330
+ ATOM 329 O LYS A 42 28.451 26.461 0.985 1.00 0.00 O
331
+ ATOM 330 CG LYS A 42 30.625 29.948 -1.099 1.00 0.00 C
332
+ ATOM 331 CD LYS A 42 30.031 30.849 -2.174 1.00 0.00 C
333
+ ATOM 332 CE LYS A 42 31.111 31.632 -2.909 1.00 0.00 C
334
+ ATOM 333 NZ LYS A 42 30.537 32.486 -3.991 1.00 0.00 N
335
+ ATOM 334 N TRP A 43 28.575 28.106 2.467 1.00 0.00 N
336
+ ATOM 335 CA TRP A 43 27.440 27.631 3.252 1.00 0.00 C
337
+ ATOM 336 C TRP A 43 26.536 28.790 3.659 1.00 0.00 C
338
+ ATOM 337 CB TRP A 43 27.922 26.881 4.497 1.00 0.00 C
339
+ ATOM 338 O TRP A 43 27.005 29.917 3.840 1.00 0.00 O
340
+ ATOM 339 CG TRP A 43 28.535 25.545 4.203 1.00 0.00 C
341
+ ATOM 340 CD1 TRP A 43 29.845 25.285 3.911 1.00 0.00 C
342
+ ATOM 341 CD2 TRP A 43 27.859 24.284 4.170 1.00 0.00 C
343
+ ATOM 342 CE2 TRP A 43 28.822 23.301 3.850 1.00 0.00 C
344
+ ATOM 343 CE3 TRP A 43 26.531 23.889 4.379 1.00 0.00 C
345
+ ATOM 344 NE1 TRP A 43 30.024 23.938 3.698 1.00 0.00 N
346
+ ATOM 345 CH2 TRP A 43 27.191 21.588 3.947 1.00 0.00 C
347
+ ATOM 346 CZ2 TRP A 43 28.498 21.947 3.736 1.00 0.00 C
348
+ ATOM 347 CZ3 TRP A 43 26.210 22.542 4.266 1.00 0.00 C
349
+ ATOM 348 N THR A 44 25.288 28.492 3.817 1.00 0.00 N
350
+ ATOM 349 CA THR A 44 24.334 29.495 4.278 1.00 0.00 C
351
+ ATOM 350 C THR A 44 23.535 28.975 5.469 1.00 0.00 C
352
+ ATOM 351 CB THR A 44 23.370 29.910 3.151 1.00 0.00 C
353
+ ATOM 352 O THR A 44 23.063 27.836 5.457 1.00 0.00 O
354
+ ATOM 353 CG2 THR A 44 22.362 30.943 3.642 1.00 0.00 C
355
+ ATOM 354 OG1 THR A 44 24.123 30.469 2.068 1.00 0.00 O
356
+ ATOM 355 N ILE A 45 23.485 29.664 6.494 1.00 0.00 N
357
+ ATOM 356 CA ILE A 45 22.559 29.497 7.609 1.00 0.00 C
358
+ ATOM 357 C ILE A 45 21.444 30.537 7.512 1.00 0.00 C
359
+ ATOM 358 CB ILE A 45 23.284 29.612 8.968 1.00 0.00 C
360
+ ATOM 359 O ILE A 45 21.678 31.729 7.723 1.00 0.00 O
361
+ ATOM 360 CG1 ILE A 45 24.452 28.622 9.036 1.00 0.00 C
362
+ ATOM 361 CG2 ILE A 45 22.304 29.386 10.123 1.00 0.00 C
363
+ ATOM 362 CD1 ILE A 45 25.292 28.742 10.300 1.00 0.00 C
364
+ ATOM 363 N ASP A 46 20.359 30.134 7.150 1.00 0.00 N
365
+ ATOM 364 CA ASP A 46 19.204 31.008 6.968 1.00 0.00 C
366
+ ATOM 365 C ASP A 46 18.251 30.911 8.156 1.00 0.00 C
367
+ ATOM 366 CB ASP A 46 18.467 30.661 5.673 1.00 0.00 C
368
+ ATOM 367 O ASP A 46 17.533 29.920 8.304 1.00 0.00 O
369
+ ATOM 368 CG ASP A 46 17.369 31.653 5.331 1.00 0.00 C
370
+ ATOM 369 OD1 ASP A 46 16.887 32.365 6.238 1.00 0.00 O
371
+ ATOM 370 OD2 ASP A 46 16.982 31.722 4.144 1.00 0.00 O
372
+ ATOM 371 N LEU A 47 18.205 31.975 8.945 1.00 0.00 N
373
+ ATOM 372 CA LEU A 47 17.367 32.000 10.139 1.00 0.00 C
374
+ ATOM 373 C LEU A 47 16.240 33.017 9.991 1.00 0.00 C
375
+ ATOM 374 CB LEU A 47 18.207 32.328 11.376 1.00 0.00 C
376
+ ATOM 375 O LEU A 47 15.844 33.657 10.968 1.00 0.00 O
377
+ ATOM 376 CG LEU A 47 19.351 31.363 11.693 1.00 0.00 C
378
+ ATOM 377 CD1 LEU A 47 20.176 31.888 12.864 1.00 0.00 C
379
+ ATOM 378 CD2 LEU A 47 18.810 29.971 11.995 1.00 0.00 C
380
+ ATOM 379 N LYS A 48 15.656 33.247 8.788 1.00 0.00 N
381
+ ATOM 380 CA LYS A 48 14.578 34.211 8.588 1.00 0.00 C
382
+ ATOM 381 C LYS A 48 13.232 33.507 8.435 1.00 0.00 C
383
+ ATOM 382 CB LYS A 48 14.856 35.081 7.362 1.00 0.00 C
384
+ ATOM 383 O LYS A 48 12.179 34.140 8.535 1.00 0.00 O
385
+ ATOM 384 CG LYS A 48 15.754 36.277 7.642 1.00 0.00 C
386
+ ATOM 385 CD LYS A 48 15.780 37.244 6.465 1.00 0.00 C
387
+ ATOM 386 CE LYS A 48 16.442 38.564 6.840 1.00 0.00 C
388
+ ATOM 387 NZ LYS A 48 16.497 39.505 5.681 1.00 0.00 N
389
+ ATOM 388 N SER A 49 13.213 32.334 8.205 1.00 0.00 N
390
+ ATOM 389 CA SER A 49 11.914 31.710 7.978 1.00 0.00 C
391
+ ATOM 390 C SER A 49 11.899 30.268 8.476 1.00 0.00 C
392
+ ATOM 391 CB SER A 49 11.552 31.750 6.493 1.00 0.00 C
393
+ ATOM 392 O SER A 49 12.948 29.630 8.576 1.00 0.00 O
394
+ ATOM 393 OG SER A 49 12.455 30.962 5.735 1.00 0.00 O
395
+ ATOM 394 N GLY A 50 10.650 30.002 8.918 1.00 0.00 N
396
+ ATOM 395 CA GLY A 50 10.422 28.618 9.303 1.00 0.00 C
397
+ ATOM 396 C GLY A 50 11.214 28.201 10.527 1.00 0.00 C
398
+ ATOM 397 O GLY A 50 11.254 28.923 11.524 1.00 0.00 O
399
+ ATOM 398 N SER A 51 11.738 27.043 10.515 1.00 0.00 N
400
+ ATOM 399 CA SER A 51 12.561 26.488 11.584 1.00 0.00 C
401
+ ATOM 400 C SER A 51 14.042 26.751 11.337 1.00 0.00 C
402
+ ATOM 401 CB SER A 51 12.318 24.983 11.721 1.00 0.00 C
403
+ ATOM 402 O SER A 51 14.899 26.213 12.041 1.00 0.00 O
404
+ ATOM 403 OG SER A 51 12.554 24.322 10.490 1.00 0.00 O
405
+ ATOM 404 N GLY A 52 14.318 27.619 10.418 1.00 0.00 N
406
+ ATOM 405 CA GLY A 52 15.693 27.841 9.996 1.00 0.00 C
407
+ ATOM 406 C GLY A 52 16.238 26.722 9.129 1.00 0.00 C
408
+ ATOM 407 O GLY A 52 15.712 25.607 9.141 1.00 0.00 O
409
+ ATOM 408 N LYS A 53 17.240 27.008 8.404 1.00 0.00 N
410
+ ATOM 409 CA LYS A 53 17.823 25.997 7.528 1.00 0.00 C
411
+ ATOM 410 C LYS A 53 19.313 26.246 7.316 1.00 0.00 C
412
+ ATOM 411 CB LYS A 53 17.099 25.971 6.180 1.00 0.00 C
413
+ ATOM 412 O LYS A 53 19.763 27.394 7.321 1.00 0.00 O
414
+ ATOM 413 CG LYS A 53 17.161 27.287 5.420 1.00 0.00 C
415
+ ATOM 414 CD LYS A 53 16.367 27.221 4.121 1.00 0.00 C
416
+ ATOM 415 CE LYS A 53 16.368 28.559 3.395 1.00 0.00 C
417
+ ATOM 416 NZ LYS A 53 15.560 28.508 2.140 1.00 0.00 N
418
+ ATOM 417 N VAL A 54 20.039 25.144 7.146 1.00 0.00 N
419
+ ATOM 418 CA VAL A 54 21.450 25.169 6.775 1.00 0.00 C
420
+ ATOM 419 C VAL A 54 21.648 24.442 5.446 1.00 0.00 C
421
+ ATOM 420 CB VAL A 54 22.336 24.532 7.869 1.00 0.00 C
422
+ ATOM 421 O VAL A 54 21.162 23.323 5.265 1.00 0.00 O
423
+ ATOM 422 CG1 VAL A 54 23.810 24.596 7.474 1.00 0.00 C
424
+ ATOM 423 CG2 VAL A 54 22.108 25.226 9.210 1.00 0.00 C
425
+ ATOM 424 N TYR A 55 22.292 25.077 4.449 1.00 0.00 N
426
+ ATOM 425 CA TYR A 55 22.528 24.404 3.177 1.00 0.00 C
427
+ ATOM 426 C TYR A 55 23.826 24.884 2.539 1.00 0.00 C
428
+ ATOM 427 CB TYR A 55 21.357 24.640 2.219 1.00 0.00 C
429
+ ATOM 428 O TYR A 55 24.327 25.961 2.869 1.00 0.00 O
430
+ ATOM 429 CG TYR A 55 21.048 26.099 1.985 1.00 0.00 C
431
+ ATOM 430 CD1 TYR A 55 20.151 26.781 2.802 1.00 0.00 C
432
+ ATOM 431 CD2 TYR A 55 21.653 26.796 0.944 1.00 0.00 C
433
+ ATOM 432 CE1 TYR A 55 19.862 28.125 2.590 1.00 0.00 C
434
+ ATOM 433 CE2 TYR A 55 21.371 28.141 0.722 1.00 0.00 C
435
+ ATOM 434 OH TYR A 55 20.193 30.125 1.333 1.00 0.00 O
436
+ ATOM 435 CZ TYR A 55 20.476 28.795 1.548 1.00 0.00 C
437
+ ATOM 436 N GLN A 56 24.276 24.003 1.700 1.00 0.00 N
438
+ ATOM 437 CA GLN A 56 25.464 24.356 0.930 1.00 0.00 C
439
+ ATOM 438 C GLN A 56 25.116 25.298 -0.219 1.00 0.00 C
440
+ ATOM 439 CB GLN A 56 26.149 23.100 0.391 1.00 0.00 C
441
+ ATOM 440 O GLN A 56 24.095 25.119 -0.886 1.00 0.00 O
442
+ ATOM 441 CG GLN A 56 27.552 23.345 -0.146 1.00 0.00 C
443
+ ATOM 442 CD GLN A 56 28.272 22.063 -0.518 1.00 0.00 C
444
+ ATOM 443 NE2 GLN A 56 29.559 22.174 -0.831 1.00 0.00 N
445
+ ATOM 444 OE1 GLN A 56 27.677 20.980 -0.521 1.00 0.00 O
446
+ ATOM 445 N GLY A 57 26.012 26.297 -0.380 1.00 0.00 N
447
+ ATOM 446 CA GLY A 57 25.846 27.281 -1.438 1.00 0.00 C
448
+ ATOM 447 C GLY A 57 25.605 28.685 -0.916 1.00 0.00 C
449
+ ATOM 448 O GLY A 57 25.509 28.894 0.296 1.00 0.00 O
450
+ ATOM 449 N PRO A 58 25.579 29.571 -1.785 1.00 0.00 N
451
+ ATOM 450 CA PRO A 58 25.321 30.955 -1.381 1.00 0.00 C
452
+ ATOM 451 C PRO A 58 23.879 31.177 -0.928 1.00 0.00 C
453
+ ATOM 452 CB PRO A 58 25.625 31.755 -2.648 1.00 0.00 C
454
+ ATOM 453 O PRO A 58 23.002 30.361 -1.224 1.00 0.00 O
455
+ ATOM 454 CG PRO A 58 25.277 30.836 -3.774 1.00 0.00 C
456
+ ATOM 455 CD PRO A 58 25.608 29.430 -3.361 1.00 0.00 C
457
+ ATOM 456 N ALA A 59 23.712 32.239 -0.235 1.00 0.00 N
458
+ ATOM 457 CA ALA A 59 22.363 32.612 0.181 1.00 0.00 C
459
+ ATOM 458 C ALA A 59 21.459 32.836 -1.028 1.00 0.00 C
460
+ ATOM 459 CB ALA A 59 22.403 33.865 1.052 1.00 0.00 C
461
+ ATOM 460 O ALA A 59 21.900 33.363 -2.052 1.00 0.00 O
462
+ ATOM 461 N LYS A 60 20.197 32.369 -1.030 1.00 0.00 N
463
+ ATOM 462 CA LYS A 60 19.234 32.557 -2.112 1.00 0.00 C
464
+ ATOM 463 C LYS A 60 18.788 34.013 -2.205 1.00 0.00 C
465
+ ATOM 464 CB LYS A 60 18.020 31.648 -1.913 1.00 0.00 C
466
+ ATOM 465 O LYS A 60 18.398 34.481 -3.276 1.00 0.00 O
467
+ ATOM 466 CG LYS A 60 18.321 30.166 -2.081 1.00 0.00 C
468
+ ATOM 467 CD LYS A 60 17.063 29.320 -1.933 1.00 0.00 C
469
+ ATOM 468 CE LYS A 60 17.360 27.838 -2.119 1.00 0.00 C
470
+ ATOM 469 NZ LYS A 60 16.138 27.000 -1.931 1.00 0.00 N
471
+ ATOM 470 N GLY A 61 19.034 34.837 -1.241 1.00 0.00 N
472
+ ATOM 471 CA GLY A 61 18.794 36.268 -1.147 1.00 0.00 C
473
+ ATOM 472 C GLY A 61 19.940 37.024 -0.500 1.00 0.00 C
474
+ ATOM 473 O GLY A 61 21.064 36.524 -0.438 1.00 0.00 O
475
+ ATOM 474 N ALA A 62 19.653 38.215 -0.165 1.00 0.00 N
476
+ ATOM 475 CA ALA A 62 20.680 39.021 0.492 1.00 0.00 C
477
+ ATOM 476 C ALA A 62 21.062 38.426 1.844 1.00 0.00 C
478
+ ATOM 477 CB ALA A 62 20.198 40.459 0.664 1.00 0.00 C
479
+ ATOM 478 O ALA A 62 20.192 38.130 2.667 1.00 0.00 O
480
+ ATOM 479 N ALA A 63 22.357 38.185 2.002 1.00 0.00 N
481
+ ATOM 480 CA ALA A 63 22.850 37.778 3.315 1.00 0.00 C
482
+ ATOM 481 C ALA A 63 22.964 38.977 4.253 1.00 0.00 C
483
+ ATOM 482 CB ALA A 63 24.200 37.078 3.184 1.00 0.00 C
484
+ ATOM 483 O ALA A 63 23.390 40.058 3.840 1.00 0.00 O
485
+ ATOM 484 N ASP A 64 22.564 38.883 5.484 1.00 0.00 N
486
+ ATOM 485 CA ASP A 64 22.751 39.933 6.480 1.00 0.00 C
487
+ ATOM 486 C ASP A 64 24.217 40.047 6.891 1.00 0.00 C
488
+ ATOM 487 CB ASP A 64 21.879 39.670 7.710 1.00 0.00 C
489
+ ATOM 488 O ASP A 64 24.687 41.132 7.241 1.00 0.00 O
490
+ ATOM 489 CG ASP A 64 20.392 39.752 7.411 1.00 0.00 C
491
+ ATOM 490 OD1 ASP A 64 19.901 40.845 7.054 1.00 0.00 O
492
+ ATOM 491 OD2 ASP A 64 19.704 38.716 7.535 1.00 0.00 O
493
+ ATOM 492 N THR A 65 24.864 38.916 6.839 1.00 0.00 N
494
+ ATOM 493 CA THR A 65 26.293 38.855 7.126 1.00 0.00 C
495
+ ATOM 494 C THR A 65 26.978 37.811 6.249 1.00 0.00 C
496
+ ATOM 495 CB THR A 65 26.550 38.530 8.610 1.00 0.00 C
497
+ ATOM 496 O THR A 65 26.436 36.726 6.029 1.00 0.00 O
498
+ ATOM 497 CG2 THR A 65 28.044 38.485 8.912 1.00 0.00 C
499
+ ATOM 498 OG1 THR A 65 25.938 39.536 9.426 1.00 0.00 O
500
+ ATOM 499 N THR A 66 28.093 38.197 5.742 1.00 0.00 N
501
+ ATOM 500 CA THR A 66 28.987 37.279 5.045 1.00 0.00 C
502
+ ATOM 501 C THR A 66 30.305 37.130 5.798 1.00 0.00 C
503
+ ATOM 502 CB THR A 66 29.265 37.754 3.606 1.00 0.00 C
504
+ ATOM 503 O THR A 66 30.934 38.126 6.162 1.00 0.00 O
505
+ ATOM 504 CG2 THR A 66 30.153 36.762 2.862 1.00 0.00 C
506
+ ATOM 505 OG1 THR A 66 28.023 37.886 2.904 1.00 0.00 O
507
+ ATOM 506 N ILE A 67 30.684 35.896 6.040 1.00 0.00 N
508
+ ATOM 507 CA ILE A 67 31.896 35.601 6.796 1.00 0.00 C
509
+ ATOM 508 C ILE A 67 32.854 34.780 5.937 1.00 0.00 C
510
+ ATOM 509 CB ILE A 67 31.576 34.851 8.108 1.00 0.00 C
511
+ ATOM 510 O ILE A 67 32.450 33.795 5.313 1.00 0.00 O
512
+ ATOM 511 CG1 ILE A 67 30.613 35.673 8.972 1.00 0.00 C
513
+ ATOM 512 CG2 ILE A 67 32.862 34.531 8.876 1.00 0.00 C
514
+ ATOM 513 CD1 ILE A 67 29.969 34.883 10.104 1.00 0.00 C
515
+ ATOM 514 N ILE A 68 34.070 35.207 5.912 1.00 0.00 N
516
+ ATOM 515 CA ILE A 68 35.104 34.523 5.144 1.00 0.00 C
517
+ ATOM 516 C ILE A 68 36.251 34.120 6.068 1.00 0.00 C
518
+ ATOM 517 CB ILE A 68 35.630 35.406 3.990 1.00 0.00 C
519
+ ATOM 518 O ILE A 68 36.834 34.965 6.750 1.00 0.00 O
520
+ ATOM 519 CG1 ILE A 68 34.466 35.908 3.129 1.00 0.00 C
521
+ ATOM 520 CG2 ILE A 68 36.648 34.638 3.143 1.00 0.00 C
522
+ ATOM 521 CD1 ILE A 68 34.834 37.055 2.197 1.00 0.00 C
523
+ ATOM 522 N LEU A 69 36.625 32.909 6.102 1.00 0.00 N
524
+ ATOM 523 CA LEU A 69 37.759 32.410 6.873 1.00 0.00 C
525
+ ATOM 524 C LEU A 69 38.211 31.048 6.356 1.00 0.00 C
526
+ ATOM 525 CB LEU A 69 37.398 32.311 8.357 1.00 0.00 C
527
+ ATOM 526 O LEU A 69 37.471 30.377 5.634 1.00 0.00 O
528
+ ATOM 527 CG LEU A 69 36.333 31.277 8.728 1.00 0.00 C
529
+ ATOM 528 CD1 LEU A 69 36.191 31.183 10.243 1.00 0.00 C
530
+ ATOM 529 CD2 LEU A 69 34.998 31.629 8.081 1.00 0.00 C
531
+ ATOM 530 N SER A 70 39.393 30.631 6.711 1.00 0.00 N
532
+ ATOM 531 CA SER A 70 39.894 29.325 6.292 1.00 0.00 C
533
+ ATOM 532 C SER A 70 39.218 28.199 7.067 1.00 0.00 C
534
+ ATOM 533 CB SER A 70 41.409 29.246 6.480 1.00 0.00 C
535
+ ATOM 534 O SER A 70 38.729 28.410 8.179 1.00 0.00 O
536
+ ATOM 535 OG SER A 70 41.740 29.133 7.853 1.00 0.00 O
537
+ ATOM 536 N ASP A 71 39.236 27.082 6.422 1.00 0.00 N
538
+ ATOM 537 CA ASP A 71 38.684 25.910 7.095 1.00 0.00 C
539
+ ATOM 538 C ASP A 71 39.351 25.691 8.450 1.00 0.00 C
540
+ ATOM 539 CB ASP A 71 38.846 24.664 6.221 1.00 0.00 C
541
+ ATOM 540 O ASP A 71 38.678 25.384 9.437 1.00 0.00 O
542
+ ATOM 541 CG ASP A 71 38.117 23.453 6.775 1.00 0.00 C
543
+ ATOM 542 OD1 ASP A 71 36.870 23.478 6.861 1.00 0.00 O
544
+ ATOM 543 OD2 ASP A 71 38.796 22.465 7.131 1.00 0.00 O
545
+ ATOM 544 N GLU A 72 40.644 25.876 8.536 1.00 0.00 N
546
+ ATOM 545 CA GLU A 72 41.405 25.719 9.771 1.00 0.00 C
547
+ ATOM 546 C GLU A 72 40.981 26.748 10.815 1.00 0.00 C
548
+ ATOM 547 CB GLU A 72 42.906 25.838 9.495 1.00 0.00 C
549
+ ATOM 548 O GLU A 72 40.758 26.404 11.977 1.00 0.00 O
550
+ ATOM 549 CG GLU A 72 43.469 24.702 8.653 1.00 0.00 C
551
+ ATOM 550 CD GLU A 72 43.224 24.881 7.163 1.00 0.00 C
552
+ ATOM 551 OE1 GLU A 72 42.851 25.998 6.740 1.00 0.00 O
553
+ ATOM 552 OE2 GLU A 72 43.407 23.895 6.413 1.00 0.00 O
554
+ ATOM 553 N ASP A 73 40.847 28.017 10.444 1.00 0.00 N
555
+ ATOM 554 CA ASP A 73 40.425 29.058 11.376 1.00 0.00 C
556
+ ATOM 555 C ASP A 73 38.987 28.829 11.838 1.00 0.00 C
557
+ ATOM 556 CB ASP A 73 40.557 30.440 10.734 1.00 0.00 C
558
+ ATOM 557 O ASP A 73 38.668 29.024 13.013 1.00 0.00 O
559
+ ATOM 558 CG ASP A 73 42.001 30.890 10.591 1.00 0.00 C
560
+ ATOM 559 OD1 ASP A 73 42.873 30.386 11.329 1.00 0.00 O
561
+ ATOM 560 OD2 ASP A 73 42.267 31.759 9.731 1.00 0.00 O
562
+ ATOM 561 N PHE A 74 38.180 28.416 10.893 1.00 0.00 N
563
+ ATOM 562 CA PHE A 74 36.803 28.091 11.246 1.00 0.00 C
564
+ ATOM 563 C PHE A 74 36.760 27.064 12.372 1.00 0.00 C
565
+ ATOM 564 CB PHE A 74 36.044 27.563 10.025 1.00 0.00 C
566
+ ATOM 565 O PHE A 74 36.069 27.262 13.373 1.00 0.00 O
567
+ ATOM 566 CG PHE A 74 34.623 27.162 10.319 1.00 0.00 C
568
+ ATOM 567 CD1 PHE A 74 33.606 28.108 10.322 1.00 0.00 C
569
+ ATOM 568 CD2 PHE A 74 34.306 25.838 10.594 1.00 0.00 C
570
+ ATOM 569 CE1 PHE A 74 32.290 27.740 10.595 1.00 0.00 C
571
+ ATOM 570 CE2 PHE A 74 32.993 25.464 10.867 1.00 0.00 C
572
+ ATOM 571 CZ PHE A 74 31.987 26.416 10.868 1.00 0.00 C
573
+ ATOM 572 N MET A 75 37.550 26.039 12.220 1.00 0.00 N
574
+ ATOM 573 CA MET A 75 37.561 24.968 13.212 1.00 0.00 C
575
+ ATOM 574 C MET A 75 38.160 25.452 14.528 1.00 0.00 C
576
+ ATOM 575 CB MET A 75 38.345 23.762 12.692 1.00 0.00 C
577
+ ATOM 576 O MET A 75 37.717 25.045 15.603 1.00 0.00 O
578
+ ATOM 577 CG MET A 75 37.643 23.009 11.574 1.00 0.00 C
579
+ ATOM 578 SD MET A 75 35.902 22.600 11.986 1.00 0.00 S
580
+ ATOM 579 CE MET A 75 36.156 21.564 13.454 1.00 0.00 C
581
+ ATOM 580 N GLU A 76 39.141 26.242 14.484 1.00 0.00 N
582
+ ATOM 581 CA GLU A 76 39.728 26.782 15.707 1.00 0.00 C
583
+ ATOM 582 C GLU A 76 38.726 27.654 16.460 1.00 0.00 C
584
+ ATOM 583 CB GLU A 76 40.990 27.587 15.388 1.00 0.00 C
585
+ ATOM 584 O GLU A 76 38.686 27.638 17.692 1.00 0.00 O
586
+ ATOM 585 CG GLU A 76 42.171 26.731 14.956 1.00 0.00 C
587
+ ATOM 586 CD GLU A 76 43.484 27.499 14.908 1.00 0.00 C
588
+ ATOM 587 OE1 GLU A 76 43.453 28.748 14.837 1.00 0.00 O
589
+ ATOM 588 OE2 GLU A 76 44.550 26.845 14.943 1.00 0.00 O
590
+ ATOM 589 N VAL A 77 37.920 28.389 15.716 1.00 0.00 N
591
+ ATOM 590 CA VAL A 77 36.887 29.209 16.339 1.00 0.00 C
592
+ ATOM 591 C VAL A 77 35.848 28.311 17.008 1.00 0.00 C
593
+ ATOM 592 CB VAL A 77 36.205 30.140 15.312 1.00 0.00 C
594
+ ATOM 593 O VAL A 77 35.480 28.532 18.164 1.00 0.00 O
595
+ ATOM 594 CG1 VAL A 77 34.926 30.741 15.895 1.00 0.00 C
596
+ ATOM 595 CG2 VAL A 77 37.165 31.242 14.871 1.00 0.00 C
597
+ ATOM 596 N VAL A 78 35.445 27.339 16.266 1.00 0.00 N
598
+ ATOM 597 CA VAL A 78 34.426 26.421 16.765 1.00 0.00 C
599
+ ATOM 598 C VAL A 78 34.940 25.705 18.012 1.00 0.00 C
600
+ ATOM 599 CB VAL A 78 34.017 25.390 15.689 1.00 0.00 C
601
+ ATOM 600 O VAL A 78 34.197 25.516 18.977 1.00 0.00 O
602
+ ATOM 601 CG1 VAL A 78 33.185 24.267 16.306 1.00 0.00 C
603
+ ATOM 602 CG2 VAL A 78 33.245 26.074 14.562 1.00 0.00 C
604
+ ATOM 603 N LEU A 79 36.199 25.449 18.077 1.00 0.00 N
605
+ ATOM 604 CA LEU A 79 36.794 24.703 19.181 1.00 0.00 C
606
+ ATOM 605 C LEU A 79 37.182 25.637 20.322 1.00 0.00 C
607
+ ATOM 606 CB LEU A 79 38.021 23.924 18.703 1.00 0.00 C
608
+ ATOM 607 O LEU A 79 37.651 25.185 21.369 1.00 0.00 O
609
+ ATOM 608 CG LEU A 79 37.761 22.788 17.711 1.00 0.00 C
610
+ ATOM 609 CD1 LEU A 79 39.076 22.271 17.140 1.00 0.00 C
611
+ ATOM 610 CD2 LEU A 79 36.981 21.662 18.380 1.00 0.00 C
612
+ ATOM 611 N GLY A 80 37.031 26.894 20.076 1.00 0.00 N
613
+ ATOM 612 CA GLY A 80 37.356 27.856 21.116 1.00 0.00 C
614
+ ATOM 613 C GLY A 80 38.837 28.169 21.198 1.00 0.00 C
615
+ ATOM 614 O GLY A 80 39.287 28.831 22.136 1.00 0.00 O
616
+ ATOM 615 N LYS A 81 39.551 27.744 20.220 1.00 0.00 N
617
+ ATOM 616 CA LYS A 81 40.998 27.945 20.219 1.00 0.00 C
618
+ ATOM 617 C LYS A 81 41.366 29.286 19.592 1.00 0.00 C
619
+ ATOM 618 CB LYS A 81 41.697 26.808 19.472 1.00 0.00 C
620
+ ATOM 619 O LYS A 81 42.489 29.767 19.756 1.00 0.00 O
621
+ ATOM 620 CG LYS A 81 41.576 25.453 20.152 1.00 0.00 C
622
+ ATOM 621 CD LYS A 81 42.311 24.369 19.375 1.00 0.00 C
623
+ ATOM 622 CE LYS A 81 42.232 23.022 20.081 1.00 0.00 C
624
+ ATOM 623 NZ LYS A 81 42.901 21.944 19.293 1.00 0.00 N
625
+ ATOM 624 N LEU A 82 40.509 29.777 18.874 1.00 0.00 N
626
+ ATOM 625 CA LEU A 82 40.676 31.070 18.219 1.00 0.00 C
627
+ ATOM 626 C LEU A 82 39.495 31.987 18.516 1.00 0.00 C
628
+ ATOM 627 CB LEU A 82 40.829 30.889 16.706 1.00 0.00 C
629
+ ATOM 628 O LEU A 82 38.343 31.620 18.274 1.00 0.00 O
630
+ ATOM 629 CG LEU A 82 41.048 32.165 15.890 1.00 0.00 C
631
+ ATOM 630 CD1 LEU A 82 42.348 32.844 16.306 1.00 0.00 C
632
+ ATOM 631 CD2 LEU A 82 41.056 31.849 14.398 1.00 0.00 C
633
+ ATOM 632 N ASP A 83 39.801 33.112 19.056 1.00 0.00 N
634
+ ATOM 633 CA ASP A 83 38.797 34.141 19.310 1.00 0.00 C
635
+ ATOM 634 C ASP A 83 38.381 34.835 18.015 1.00 0.00 C
636
+ ATOM 635 CB ASP A 83 39.326 35.171 20.311 1.00 0.00 C
637
+ ATOM 636 O ASP A 83 39.225 35.367 17.291 1.00 0.00 O
638
+ ATOM 637 CG ASP A 83 38.294 36.224 20.678 1.00 0.00 C
639
+ ATOM 638 OD1 ASP A 83 38.144 37.216 19.933 1.00 0.00 O
640
+ ATOM 639 OD2 ASP A 83 37.628 36.062 21.723 1.00 0.00 O
641
+ ATOM 640 N PRO A 84 37.128 34.781 17.706 1.00 0.00 N
642
+ ATOM 641 CA PRO A 84 36.697 35.360 16.431 1.00 0.00 C
643
+ ATOM 642 C PRO A 84 37.029 36.847 16.317 1.00 0.00 C
644
+ ATOM 643 CB PRO A 84 35.184 35.137 16.436 1.00 0.00 C
645
+ ATOM 644 O PRO A 84 37.333 37.334 15.225 1.00 0.00 O
646
+ ATOM 645 CG PRO A 84 34.849 34.820 17.857 1.00 0.00 C
647
+ ATOM 646 CD PRO A 84 36.072 34.256 18.521 1.00 0.00 C
648
+ ATOM 647 N GLN A 85 36.934 37.590 17.425 1.00 0.00 N
649
+ ATOM 648 CA GLN A 85 37.266 39.010 17.389 1.00 0.00 C
650
+ ATOM 649 C GLN A 85 38.744 39.223 17.076 1.00 0.00 C
651
+ ATOM 650 CB GLN A 85 36.908 39.680 18.717 1.00 0.00 C
652
+ ATOM 651 O GLN A 85 39.096 40.091 16.275 1.00 0.00 O
653
+ ATOM 652 CG GLN A 85 35.411 39.847 18.938 1.00 0.00 C
654
+ ATOM 653 CD GLN A 85 35.087 40.598 20.217 1.00 0.00 C
655
+ ATOM 654 NE2 GLN A 85 33.799 40.787 20.482 1.00 0.00 N
656
+ ATOM 655 OE1 GLN A 85 35.987 41.002 20.960 1.00 0.00 O
657
+ ATOM 656 N LYS A 86 39.557 38.391 17.712 1.00 0.00 N
658
+ ATOM 657 CA LYS A 86 40.985 38.481 17.421 1.00 0.00 C
659
+ ATOM 658 C LYS A 86 41.273 38.106 15.970 1.00 0.00 C
660
+ ATOM 659 CB LYS A 86 41.784 37.580 18.364 1.00 0.00 C
661
+ ATOM 660 O LYS A 86 42.109 38.734 15.316 1.00 0.00 O
662
+ ATOM 661 CG LYS A 86 41.839 38.082 19.799 1.00 0.00 C
663
+ ATOM 662 CD LYS A 86 42.731 37.202 20.665 1.00 0.00 C
664
+ ATOM 663 CE LYS A 86 42.736 37.665 22.115 1.00 0.00 C
665
+ ATOM 664 NZ LYS A 86 43.541 36.755 22.984 1.00 0.00 N
666
+ ATOM 665 N ALA A 87 40.610 37.129 15.497 1.00 0.00 N
667
+ ATOM 666 CA ALA A 87 40.767 36.710 14.106 1.00 0.00 C
668
+ ATOM 667 C ALA A 87 40.343 37.820 13.148 1.00 0.00 C
669
+ ATOM 668 CB ALA A 87 39.957 35.444 13.838 1.00 0.00 C
670
+ ATOM 669 O ALA A 87 40.971 38.021 12.105 1.00 0.00 O
671
+ ATOM 670 N PHE A 88 39.267 38.511 13.500 1.00 0.00 N
672
+ ATOM 671 CA PHE A 88 38.790 39.623 12.687 1.00 0.00 C
673
+ ATOM 672 C PHE A 88 39.823 40.743 12.643 1.00 0.00 C
674
+ ATOM 673 CB PHE A 88 37.460 40.156 13.227 1.00 0.00 C
675
+ ATOM 674 O PHE A 88 40.164 41.238 11.566 1.00 0.00 O
676
+ ATOM 675 CG PHE A 88 36.925 41.338 12.465 1.00 0.00 C
677
+ ATOM 676 CD1 PHE A 88 36.334 41.171 11.219 1.00 0.00 C
678
+ ATOM 677 CD2 PHE A 88 37.012 42.618 12.997 1.00 0.00 C
679
+ ATOM 678 CE1 PHE A 88 35.839 42.263 10.511 1.00 0.00 C
680
+ ATOM 679 CE2 PHE A 88 36.518 43.715 12.296 1.00 0.00 C
681
+ ATOM 680 CZ PHE A 88 35.933 43.536 11.053 1.00 0.00 C
682
+ ATOM 681 N PHE A 89 40.391 41.067 13.743 1.00 0.00 N
683
+ ATOM 682 CA PHE A 89 41.331 42.176 13.838 1.00 0.00 C
684
+ ATOM 683 C PHE A 89 42.667 41.810 13.203 1.00 0.00 C
685
+ ATOM 684 CB PHE A 89 41.540 42.583 15.300 1.00 0.00 C
686
+ ATOM 685 O PHE A 89 43.386 42.680 12.709 1.00 0.00 O
687
+ ATOM 686 CG PHE A 89 40.378 43.334 15.892 1.00 0.00 C
688
+ ATOM 687 CD1 PHE A 89 39.928 44.515 15.313 1.00 0.00 C
689
+ ATOM 688 CD2 PHE A 89 39.736 42.859 17.029 1.00 0.00 C
690
+ ATOM 689 CE1 PHE A 89 38.853 45.212 15.859 1.00 0.00 C
691
+ ATOM 690 CE2 PHE A 89 38.661 43.552 17.580 1.00 0.00 C
692
+ ATOM 691 CZ PHE A 89 38.222 44.728 16.994 1.00 0.00 C
693
+ ATOM 692 N SER A 90 43.006 40.542 13.190 1.00 0.00 N
694
+ ATOM 693 CA SER A 90 44.272 40.101 12.612 1.00 0.00 C
695
+ ATOM 694 C SER A 90 44.137 39.843 11.116 1.00 0.00 C
696
+ ATOM 695 CB SER A 90 44.771 38.837 13.314 1.00 0.00 C
697
+ ATOM 696 O SER A 90 45.125 39.551 10.439 1.00 0.00 O
698
+ ATOM 697 OG SER A 90 43.885 37.755 13.090 1.00 0.00 O
699
+ ATOM 698 N GLY A 91 42.908 39.852 10.581 1.00 0.00 N
700
+ ATOM 699 CA GLY A 91 42.687 39.690 9.153 1.00 0.00 C
701
+ ATOM 700 C GLY A 91 42.471 38.245 8.743 1.00 0.00 C
702
+ ATOM 701 O GLY A 91 42.301 37.949 7.558 1.00 0.00 O
703
+ ATOM 702 N ARG A 92 42.490 37.340 9.704 1.00 0.00 N
704
+ ATOM 703 CA ARG A 92 42.285 35.919 9.442 1.00 0.00 C
705
+ ATOM 704 C ARG A 92 40.813 35.616 9.185 1.00 0.00 C
706
+ ATOM 705 CB ARG A 92 42.797 35.077 10.613 1.00 0.00 C
707
+ ATOM 706 O ARG A 92 40.481 34.608 8.559 1.00 0.00 O
708
+ ATOM 707 CG ARG A 92 44.302 35.152 10.814 1.00 0.00 C
709
+ ATOM 708 CD ARG A 92 44.728 34.512 12.128 1.00 0.00 C
710
+ ATOM 709 NE ARG A 92 44.593 33.058 12.087 1.00 0.00 N
711
+ ATOM 710 NH1 ARG A 92 45.369 32.718 14.236 1.00 0.00 N
712
+ ATOM 711 NH2 ARG A 92 44.738 30.932 12.944 1.00 0.00 N
713
+ ATOM 712 CZ ARG A 92 44.900 32.240 13.090 1.00 0.00 C
714
+ ATOM 713 N LEU A 93 39.959 36.486 9.662 1.00 0.00 N
715
+ ATOM 714 CA LEU A 93 38.518 36.456 9.439 1.00 0.00 C
716
+ ATOM 715 C LEU A 93 38.034 37.769 8.834 1.00 0.00 C
717
+ ATOM 716 CB LEU A 93 37.778 36.182 10.751 1.00 0.00 C
718
+ ATOM 717 O LEU A 93 38.363 38.847 9.335 1.00 0.00 O
719
+ ATOM 718 CG LEU A 93 36.256 36.067 10.660 1.00 0.00 C
720
+ ATOM 719 CD1 LEU A 93 35.725 35.170 11.774 1.00 0.00 C
721
+ ATOM 720 CD2 LEU A 93 35.610 37.447 10.725 1.00 0.00 C
722
+ ATOM 721 N LYS A 94 37.352 37.653 7.775 1.00 0.00 N
723
+ ATOM 722 CA LYS A 94 36.705 38.806 7.154 1.00 0.00 C
724
+ ATOM 723 C LYS A 94 35.186 38.711 7.266 1.00 0.00 C
725
+ ATOM 724 CB LYS A 94 37.116 38.925 5.686 1.00 0.00 C
726
+ ATOM 725 O LYS A 94 34.622 37.615 7.217 1.00 0.00 O
727
+ ATOM 726 CG LYS A 94 38.611 39.107 5.474 1.00 0.00 C
728
+ ATOM 727 CD LYS A 94 38.963 39.170 3.994 1.00 0.00 C
729
+ ATOM 728 CE LYS A 94 40.466 39.281 3.779 1.00 0.00 C
730
+ ATOM 729 NZ LYS A 94 40.822 39.254 2.328 1.00 0.00 N
731
+ ATOM 730 N ALA A 95 34.579 39.799 7.443 1.00 0.00 N
732
+ ATOM 731 CA ALA A 95 33.124 39.835 7.573 1.00 0.00 C
733
+ ATOM 732 C ALA A 95 32.546 41.079 6.905 1.00 0.00 C
734
+ ATOM 733 CB ALA A 95 32.720 39.788 9.044 1.00 0.00 C
735
+ ATOM 734 O ALA A 95 33.169 42.143 6.913 1.00 0.00 O
736
+ ATOM 735 N ARG A 96 31.454 40.905 6.268 1.00 0.00 N
737
+ ATOM 736 CA ARG A 96 30.664 41.980 5.677 1.00 0.00 C
738
+ ATOM 737 C ARG A 96 29.226 41.945 6.185 1.00 0.00 C
739
+ ATOM 738 CB ARG A 96 30.683 41.886 4.150 1.00 0.00 C
740
+ ATOM 739 O ARG A 96 28.686 40.871 6.462 1.00 0.00 O
741
+ ATOM 740 CG ARG A 96 32.075 41.970 3.545 1.00 0.00 C
742
+ ATOM 741 CD ARG A 96 32.037 41.869 2.027 1.00 0.00 C
743
+ ATOM 742 NE ARG A 96 33.380 41.888 1.452 1.00 0.00 N
744
+ ATOM 743 NH1 ARG A 96 32.667 41.735 -0.740 1.00 0.00 N
745
+ ATOM 744 NH2 ARG A 96 34.907 41.848 -0.263 1.00 0.00 N
746
+ ATOM 745 CZ ARG A 96 33.649 41.823 0.151 1.00 0.00 C
747
+ ATOM 746 N GLY A 97 28.677 43.151 6.337 1.00 0.00 N
748
+ ATOM 747 CA GLY A 97 27.318 43.242 6.846 1.00 0.00 C
749
+ ATOM 748 C GLY A 97 27.257 43.550 8.331 1.00 0.00 C
750
+ ATOM 749 O GLY A 97 28.131 44.236 8.864 1.00 0.00 O
751
+ ATOM 750 N ASN A 98 26.161 43.078 8.947 1.00 0.00 N
752
+ ATOM 751 CA ASN A 98 25.910 43.348 10.360 1.00 0.00 C
753
+ ATOM 752 C ASN A 98 26.654 42.363 11.258 1.00 0.00 C
754
+ ATOM 753 CB ASN A 98 24.410 43.308 10.655 1.00 0.00 C
755
+ ATOM 754 O ASN A 98 26.145 41.281 11.554 1.00 0.00 O
756
+ ATOM 755 CG ASN A 98 24.071 43.852 12.029 1.00 0.00 C
757
+ ATOM 756 ND2 ASN A 98 22.820 44.258 12.214 1.00 0.00 N
758
+ ATOM 757 OD1 ASN A 98 24.927 43.908 12.916 1.00 0.00 O
759
+ ATOM 758 N ILE A 99 27.771 42.706 11.685 1.00 0.00 N
760
+ ATOM 759 CA ILE A 99 28.690 41.844 12.421 1.00 0.00 C
761
+ ATOM 760 C ILE A 99 28.079 41.471 13.770 1.00 0.00 C
762
+ ATOM 761 CB ILE A 99 30.063 42.522 12.623 1.00 0.00 C
763
+ ATOM 762 O ILE A 99 28.359 40.398 14.310 1.00 0.00 O
764
+ ATOM 763 CG1 ILE A 99 30.762 42.728 11.274 1.00 0.00 C
765
+ ATOM 764 CG2 ILE A 99 30.938 41.699 13.573 1.00 0.00 C
766
+ ATOM 765 CD1 ILE A 99 31.995 43.618 11.344 1.00 0.00 C
767
+ ATOM 766 N MET A 100 27.262 42.360 14.322 1.00 0.00 N
768
+ ATOM 767 CA MET A 100 26.614 42.104 15.606 1.00 0.00 C
769
+ ATOM 768 C MET A 100 25.737 40.859 15.534 1.00 0.00 C
770
+ ATOM 769 CB MET A 100 25.778 43.309 16.036 1.00 0.00 C
771
+ ATOM 770 O MET A 100 25.618 40.121 16.513 1.00 0.00 O
772
+ ATOM 771 CG MET A 100 26.605 44.520 16.433 1.00 0.00 C
773
+ ATOM 772 SD MET A 100 27.770 44.157 17.804 1.00 0.00 S
774
+ ATOM 773 CE MET A 100 26.597 43.925 19.168 1.00 0.00 C
775
+ ATOM 774 N LEU A 101 25.209 40.600 14.430 1.00 0.00 N
776
+ ATOM 775 CA LEU A 101 24.380 39.414 14.238 1.00 0.00 C
777
+ ATOM 776 C LEU A 101 25.219 38.144 14.329 1.00 0.00 C
778
+ ATOM 777 CB LEU A 101 23.666 39.473 12.885 1.00 0.00 C
779
+ ATOM 778 O LEU A 101 24.758 37.128 14.854 1.00 0.00 O
780
+ ATOM 779 CG LEU A 101 22.536 40.495 12.758 1.00 0.00 C
781
+ ATOM 780 CD1 LEU A 101 22.031 40.552 11.321 1.00 0.00 C
782
+ ATOM 781 CD2 LEU A 101 21.399 40.156 13.717 1.00 0.00 C
783
+ ATOM 782 N SER A 102 26.394 38.190 13.831 1.00 0.00 N
784
+ ATOM 783 CA SER A 102 27.272 37.026 13.885 1.00 0.00 C
785
+ ATOM 784 C SER A 102 27.624 36.666 15.325 1.00 0.00 C
786
+ ATOM 785 CB SER A 102 28.552 37.282 13.088 1.00 0.00 C
787
+ ATOM 786 O SER A 102 27.692 35.486 15.676 1.00 0.00 O
788
+ ATOM 787 OG SER A 102 29.371 38.234 13.743 1.00 0.00 O
789
+ ATOM 788 N GLN A 103 27.825 37.655 16.122 1.00 0.00 N
790
+ ATOM 789 CA GLN A 103 28.111 37.433 17.535 1.00 0.00 C
791
+ ATOM 790 C GLN A 103 26.911 36.814 18.247 1.00 0.00 C
792
+ ATOM 791 CB GLN A 103 28.508 38.743 18.217 1.00 0.00 C
793
+ ATOM 792 O GLN A 103 27.073 35.947 19.109 1.00 0.00 O
794
+ ATOM 793 CG GLN A 103 29.858 39.285 17.767 1.00 0.00 C
795
+ ATOM 794 CD GLN A 103 30.179 40.637 18.375 1.00 0.00 C
796
+ ATOM 795 NE2 GLN A 103 31.450 41.023 18.326 1.00 0.00 N
797
+ ATOM 796 OE1 GLN A 103 29.292 41.331 18.883 1.00 0.00 O
798
+ ATOM 797 N LYS A 104 25.804 37.319 17.850 1.00 0.00 N
799
+ ATOM 798 CA LYS A 104 24.577 36.779 18.429 1.00 0.00 C
800
+ ATOM 799 C LYS A 104 24.419 35.297 18.100 1.00 0.00 C
801
+ ATOM 800 CB LYS A 104 23.360 37.559 17.932 1.00 0.00 C
802
+ ATOM 801 O LYS A 104 24.085 34.494 18.973 1.00 0.00 O
803
+ ATOM 802 CG LYS A 104 22.074 37.246 18.684 1.00 0.00 C
804
+ ATOM 803 CD LYS A 104 20.918 38.110 18.198 1.00 0.00 C
805
+ ATOM 804 CE LYS A 104 19.635 37.809 18.960 1.00 0.00 C
806
+ ATOM 805 NZ LYS A 104 18.482 38.606 18.443 1.00 0.00 N
807
+ ATOM 806 N LEU A 105 24.637 34.932 16.880 1.00 0.00 N
808
+ ATOM 807 CA LEU A 105 24.570 33.535 16.464 1.00 0.00 C
809
+ ATOM 808 C LEU A 105 25.561 32.685 17.252 1.00 0.00 C
810
+ ATOM 809 CB LEU A 105 24.849 33.407 14.965 1.00 0.00 C
811
+ ATOM 810 O LEU A 105 25.213 31.603 17.732 1.00 0.00 O
812
+ ATOM 811 CG LEU A 105 24.847 31.989 14.393 1.00 0.00 C
813
+ ATOM 812 CD1 LEU A 105 23.482 31.338 14.596 1.00 0.00 C
814
+ ATOM 813 CD2 LEU A 105 25.221 32.006 12.915 1.00 0.00 C
815
+ ATOM 814 N GLN A 106 26.730 33.193 17.362 1.00 0.00 N
816
+ ATOM 815 CA GLN A 106 27.764 32.464 18.090 1.00 0.00 C
817
+ ATOM 816 C GLN A 106 27.330 32.180 19.525 1.00 0.00 C
818
+ ATOM 817 CB GLN A 106 29.077 33.246 18.083 1.00 0.00 C
819
+ ATOM 818 O GLN A 106 27.523 31.072 20.029 1.00 0.00 O
820
+ ATOM 819 CG GLN A 106 30.249 32.486 18.693 1.00 0.00 C
821
+ ATOM 820 CD GLN A 106 31.550 33.264 18.629 1.00 0.00 C
822
+ ATOM 821 NE2 GLN A 106 32.669 32.555 18.728 1.00 0.00 N
823
+ ATOM 822 OE1 GLN A 106 31.548 34.491 18.493 1.00 0.00 O
824
+ ATOM 823 N MET A 107 26.767 33.160 20.194 1.00 0.00 N
825
+ ATOM 824 CA MET A 107 26.313 33.019 21.575 1.00 0.00 C
826
+ ATOM 825 C MET A 107 25.218 31.964 21.682 1.00 0.00 C
827
+ ATOM 826 CB MET A 107 25.804 34.358 22.112 1.00 0.00 C
828
+ ATOM 827 O MET A 107 25.234 31.137 22.596 1.00 0.00 O
829
+ ATOM 828 CG MET A 107 26.908 35.357 22.415 1.00 0.00 C
830
+ ATOM 829 SD MET A 107 26.259 36.955 23.041 1.00 0.00 S
831
+ ATOM 830 CE MET A 107 25.429 36.392 24.553 1.00 0.00 C
832
+ ATOM 831 N ILE A 108 24.383 32.030 20.690 1.00 0.00 N
833
+ ATOM 832 CA ILE A 108 23.255 31.106 20.717 1.00 0.00 C
834
+ ATOM 833 C ILE A 108 23.744 29.685 20.446 1.00 0.00 C
835
+ ATOM 834 CB ILE A 108 22.172 31.505 19.689 1.00 0.00 C
836
+ ATOM 835 O ILE A 108 23.337 28.741 21.128 1.00 0.00 O
837
+ ATOM 836 CG1 ILE A 108 21.469 32.795 20.128 1.00 0.00 C
838
+ ATOM 837 CG2 ILE A 108 21.163 30.369 19.498 1.00 0.00 C
839
+ ATOM 838 CD1 ILE A 108 20.528 33.374 19.081 1.00 0.00 C
840
+ ATOM 839 N LEU A 109 24.670 29.504 19.487 1.00 0.00 N
841
+ ATOM 840 CA LEU A 109 25.173 28.175 19.154 1.00 0.00 C
842
+ ATOM 841 C LEU A 109 25.994 27.602 20.305 1.00 0.00 C
843
+ ATOM 842 CB LEU A 109 26.023 28.227 17.882 1.00 0.00 C
844
+ ATOM 843 O LEU A 109 25.943 26.397 20.569 1.00 0.00 O
845
+ ATOM 844 CG LEU A 109 25.274 28.499 16.577 1.00 0.00 C
846
+ ATOM 845 CD1 LEU A 109 26.252 28.560 15.408 1.00 0.00 C
847
+ ATOM 846 CD2 LEU A 109 24.212 27.432 16.338 1.00 0.00 C
848
+ ATOM 847 N LYS A 110 26.678 28.404 20.981 1.00 0.00 N
849
+ ATOM 848 CA LYS A 110 27.430 27.960 22.152 1.00 0.00 C
850
+ ATOM 849 C LYS A 110 26.494 27.492 23.261 1.00 0.00 C
851
+ ATOM 850 CB LYS A 110 28.333 29.083 22.666 1.00 0.00 C
852
+ ATOM 851 O LYS A 110 26.766 26.492 23.929 1.00 0.00 O
853
+ ATOM 852 CG LYS A 110 29.629 29.243 21.885 1.00 0.00 C
854
+ ATOM 853 CD LYS A 110 30.510 30.332 22.482 1.00 0.00 C
855
+ ATOM 854 CE LYS A 110 31.807 30.494 21.699 1.00 0.00 C
856
+ ATOM 855 NZ LYS A 110 32.650 31.597 22.249 1.00 0.00 N
857
+ ATOM 856 N ASP A 111 25.452 28.196 23.443 1.00 0.00 N
858
+ ATOM 857 CA ASP A 111 24.480 27.854 24.477 1.00 0.00 C
859
+ ATOM 858 C ASP A 111 23.833 26.499 24.195 1.00 0.00 C
860
+ ATOM 859 CB ASP A 111 23.405 28.938 24.583 1.00 0.00 C
861
+ ATOM 860 O ASP A 111 23.598 25.715 25.116 1.00 0.00 O
862
+ ATOM 861 CG ASP A 111 23.902 30.200 25.268 1.00 0.00 C
863
+ ATOM 862 OD1 ASP A 111 25.008 30.183 25.850 1.00 0.00 O
864
+ ATOM 863 OD2 ASP A 111 23.179 31.219 25.227 1.00 0.00 O
865
+ ATOM 864 N TYR A 112 23.727 26.226 22.959 1.00 0.00 N
866
+ ATOM 865 CA TYR A 112 23.045 24.996 22.569 1.00 0.00 C
867
+ ATOM 866 C TYR A 112 24.035 23.850 22.406 1.00 0.00 C
868
+ ATOM 867 CB TYR A 112 22.268 25.204 21.264 1.00 0.00 C
869
+ ATOM 868 O TYR A 112 23.642 22.682 22.362 1.00 0.00 O
870
+ ATOM 869 CG TYR A 112 20.949 25.912 21.449 1.00 0.00 C
871
+ ATOM 870 CD1 TYR A 112 19.832 25.232 21.930 1.00 0.00 C
872
+ ATOM 871 CD2 TYR A 112 20.816 27.262 21.144 1.00 0.00 C
873
+ ATOM 872 CE1 TYR A 112 18.613 25.881 22.101 1.00 0.00 C
874
+ ATOM 873 CE2 TYR A 112 19.602 27.922 21.310 1.00 0.00 C
875
+ ATOM 874 OH TYR A 112 17.305 27.870 21.956 1.00 0.00 O
876
+ ATOM 875 CZ TYR A 112 18.508 27.224 21.789 1.00 0.00 C
877
+ ATOM 876 N ALA A 113 25.313 24.114 22.136 1.00 0.00 N
878
+ ATOM 877 CA ALA A 113 26.356 23.093 22.196 1.00 0.00 C
879
+ ATOM 878 C ALA A 113 26.555 22.598 23.626 1.00 0.00 C
880
+ ATOM 879 CB ALA A 113 27.668 23.638 21.637 1.00 0.00 C
881
+ ATOM 880 O ALA A 113 26.899 21.434 23.843 1.00 0.00 O
882
+ ATOM 881 N LYS A 114 26.407 23.469 24.568 1.00 0.00 N
883
+ ATOM 882 CA LYS A 114 26.510 23.075 25.969 1.00 0.00 C
884
+ ATOM 883 C LYS A 114 25.404 22.095 26.348 1.00 0.00 C
885
+ ATOM 884 CB LYS A 114 26.454 24.304 26.878 1.00 0.00 C
886
+ ATOM 885 O LYS A 114 25.549 21.321 27.297 1.00 0.00 O
887
+ ATOM 886 CG LYS A 114 27.685 25.195 26.791 1.00 0.00 C
888
+ ATOM 887 CD LYS A 114 27.580 26.387 27.733 1.00 0.00 C
889
+ ATOM 888 CE LYS A 114 28.789 27.305 27.611 1.00 0.00 C
890
+ ATOM 889 NZ LYS A 114 28.647 28.523 28.465 1.00 0.00 N
891
+ ATOM 890 N LEU A 115 24.440 21.765 25.478 1.00 0.00 N
892
+ ATOM 891 CA LEU A 115 23.392 20.793 25.774 1.00 0.00 C
893
+ ATOM 892 C LEU A 115 23.735 19.429 25.186 1.00 0.00 C
894
+ ATOM 893 CB LEU A 115 22.045 21.275 25.228 1.00 0.00 C
895
+ ATOM 894 O LEU A 115 23.468 18.396 25.805 1.00 0.00 O
896
+ ATOM 895 CG LEU A 115 21.503 22.579 25.815 1.00 0.00 C
897
+ ATOM 896 CD1 LEU A 115 20.383 23.129 24.938 1.00 0.00 C
898
+ ATOM 897 CD2 LEU A 115 21.013 22.360 27.243 1.00 0.00 C
899
+ ATOM 898 OXT LEU A 115 24.172 20.004 24.232 1.00 0.00 O
900
+ TER 899 LEU A 115
901
+ END
1ikt/1ikt_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1mfg/1mfg_ligand.mol2 ADDED
@@ -0,0 +1,301 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:49 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 1mfg_ligand
7
+ 142 143 1 0 0
8
+ SMALL
9
+ GAST_HUCK
10
+
11
+
12
+ @<TRIPOS>ATOM
13
+ 1 N 17.8240 -6.3730 13.2850 N.4 1 GLU 0.2380
14
+ 2 CA 18.6400 -5.5060 14.1150 C.3 1 GLU 0.0665
15
+ 3 C 18.0950 -4.0720 14.1160 C.2 1 GLU 0.2269
16
+ 4 O 17.5600 -3.6500 13.0680 O.2 1 GLU -0.3907
17
+ 5 CB 20.0790 -5.5280 13.6140 C.3 1 GLU 0.0194
18
+ 6 CG 20.2590 -5.1660 12.1450 C.3 1 GLU 0.0075
19
+ 7 CD 21.7370 -5.0000 11.8010 C.2 1 GLU 0.0351
20
+ 8 OE1 22.5780 -5.0280 12.7230 O.co2 1 GLU -0.5690
21
+ 9 OE2 22.0550 -4.8340 10.6010 O.co2 1 GLU -0.5690
22
+ 10 N 18.2190 -3.3050 15.2040 N.am 1 TYR -0.2594
23
+ 11 CA 17.7770 -1.9330 15.2890 C.3 1 TYR 0.1391
24
+ 12 C 18.6940 -1.0350 14.4730 C.2 1 TYR 0.2057
25
+ 13 O 19.9080 -1.1220 14.6600 O.2 1 TYR -0.3942
26
+ 14 CB 17.8130 -1.4400 16.7510 C.3 1 TYR 0.0164
27
+ 15 CG 17.2680 -0.0240 16.8680 C.ar 1 TYR -0.0493
28
+ 16 CD1 15.9480 0.2540 16.5670 C.ar 1 TYR -0.0685
29
+ 17 CD2 18.1060 1.0250 17.2860 C.ar 1 TYR -0.0685
30
+ 18 CE1 15.4420 1.5500 16.6880 C.ar 1 TYR -0.0398
31
+ 19 CE2 17.6180 2.3170 17.3940 C.ar 1 TYR -0.0398
32
+ 20 CZ 16.2840 2.5510 17.0910 C.ar 1 TYR 0.0805
33
+ 21 OH 15.7870 3.8430 17.1810 O.3 1 TYR -0.3376
34
+ 22 N 18.1460 -0.1690 13.6190 N.am 1 LEU -0.2636
35
+ 23 CA 18.8910 0.6300 12.6880 C.3 1 LEU 0.1312
36
+ 24 C 18.5640 2.1240 12.8390 C.2 1 LEU 0.2037
37
+ 25 O 18.8510 2.9450 11.9760 O.2 1 LEU -0.3944
38
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39
+ 27 CG 19.0590 -1.2260 10.8570 C.3 1 LEU -0.0425
40
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+ 29 CD2 20.5460 -1.3930 11.1330 C.3 1 LEU -0.0625
42
+ 30 N 17.9790 2.4940 13.9790 N.am 1 GLY -0.2664
43
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44
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45
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46
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47
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48
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49
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50
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51
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52
+ 40 CD1 12.4780 5.4270 10.7900 C.3 1 LEU -0.0625
53
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54
+ 42 N 13.0720 5.4680 14.8750 N.am 1 ASP -0.2622
55
+ 43 CA 12.2310 5.6740 16.0470 C.3 1 ASP 0.1423
56
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57
+ 45 O 10.8680 6.7950 14.4120 O.2 1 ASP -0.3943
58
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59
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60
+ 48 OD1 13.5000 8.1310 15.5770 O.co2 1 ASP -0.5688
61
+ 49 OD2 14.2690 8.3450 17.6410 O.co2 1 ASP -0.5688
62
+ 50 N 10.0340 6.5420 16.4730 N.am 1 VAL -0.2634
63
+ 51 CA 8.7260 7.0730 16.2000 C.3 1 VAL 0.1334
64
+ 52 C 8.4240 8.2690 17.1080 C.2 1 VAL 0.2066
65
+ 53 O 8.2940 8.0590 18.3290 O.2 1 VAL -0.3942
66
+ 54 CB 7.5960 6.0300 16.3800 C.3 1 VAL -0.0062
67
+ 55 CG1 6.2230 6.6570 16.0880 C.3 1 VAL -0.0584
68
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69
+ 57 N 8.2790 9.4570 16.5580 N.am 1 PRO -0.2498
70
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71
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72
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73
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74
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75
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76
+ 64 N 6.2440 10.8240 19.1330 N.am 1 VAL -0.2692
77
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78
+ 66 C 4.7650 12.1680 20.5230 C.2 1 VAL 0.0603
79
+ 67 O 3.6290 12.4160 20.9870 O.co2 1 VAL -0.5666
80
+ 68 CB 4.6450 9.6550 20.5980 C.3 1 VAL -0.0118
81
+ 69 CG1 4.6480 8.3700 19.7770 C.3 1 VAL -0.0590
82
+ 70 CG2 5.6780 9.5360 21.7280 C.3 1 VAL -0.0590
83
+ 71 OXT 5.7300 12.9720 20.6860 O.co2 1 VAL -0.5666
84
+ 72 H1 18.2024 -7.3071 13.3013 H 1 GLU 0.2015
85
+ 73 H2 17.8225 -6.0276 12.3380 H 1 GLU 0.2015
86
+ 74 H3 16.8804 -6.3865 13.6392 H 1 GLU 0.2015
87
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88
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89
+ 77 H6 20.6596 -4.8124 14.2146 H 1 GLU 0.0363
90
+ 78 H7 19.7335 -4.2217 11.9399 H 1 GLU 0.0434
91
+ 79 H8 19.8322 -5.9659 11.5222 H 1 GLU 0.0434
92
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93
+ 81 H10 16.7498 -1.8617 14.9019 H 1 TYR 0.0821
94
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95
+ 83 H12 17.2019 -2.1120 17.3714 H 1 TYR 0.0453
96
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97
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98
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99
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100
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101
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102
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103
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104
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105
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106
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107
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108
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109
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110
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111
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112
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113
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114
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115
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116
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117
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118
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119
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120
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121
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122
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123
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124
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125
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126
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127
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128
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129
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130
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131
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132
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133
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134
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135
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136
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137
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138
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139
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140
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141
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142
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143
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144
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145
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146
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147
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148
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149
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150
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151
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152
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153
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154
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155
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156
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1mfg/1mfg_ligand.sdf ADDED
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1
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34
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35
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36
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37
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38
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39
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41
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42
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43
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48
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65
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67
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68
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72
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73
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93
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94
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96
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118
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119
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140
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141
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142
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143
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144
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145
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146
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147
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+ M END
297
+ $$$$
1mfg/1mfg_protein_esmfold_aligned_tr_fix.pdb ADDED
@@ -0,0 +1,728 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ REMARK 1 CREATED WITH OPENMM 8.0, 2023-02-21
2
+ ATOM 1 N GLY A 1 22.407 0.647 39.083 1.00 0.00 N
3
+ ATOM 2 CA GLY A 1 21.062 0.146 39.320 1.00 0.00 C
4
+ ATOM 3 C GLY A 1 20.002 0.882 38.523 1.00 0.00 C
5
+ ATOM 4 O GLY A 1 20.322 1.634 37.599 1.00 0.00 O
6
+ ATOM 5 N SER A 2 18.670 0.440 38.591 1.00 0.00 N
7
+ ATOM 6 CA SER A 2 17.560 1.078 37.893 1.00 0.00 C
8
+ ATOM 7 C SER A 2 16.534 1.633 38.876 1.00 0.00 C
9
+ ATOM 8 CB SER A 2 16.885 0.090 36.941 1.00 0.00 C
10
+ ATOM 9 O SER A 2 16.440 1.165 40.013 1.00 0.00 O
11
+ ATOM 10 OG SER A 2 16.220 -0.931 37.665 1.00 0.00 O
12
+ ATOM 11 N MET A 3 15.919 2.659 38.486 1.00 0.00 N
13
+ ATOM 12 CA MET A 3 14.867 3.269 39.293 1.00 0.00 C
14
+ ATOM 13 C MET A 3 13.581 3.420 38.487 1.00 0.00 C
15
+ ATOM 14 CB MET A 3 15.317 4.633 39.820 1.00 0.00 C
16
+ ATOM 15 O MET A 3 13.625 3.677 37.282 1.00 0.00 O
17
+ ATOM 16 CG MET A 3 15.517 5.676 38.733 1.00 0.00 C
18
+ ATOM 17 SD MET A 3 16.111 7.280 39.397 1.00 0.00 S
19
+ ATOM 18 CE MET A 3 14.583 7.898 40.155 1.00 0.00 C
20
+ ATOM 19 N GLU A 4 12.535 3.147 39.237 1.00 0.00 N
21
+ ATOM 20 CA GLU A 4 11.217 3.410 38.668 1.00 0.00 C
22
+ ATOM 21 C GLU A 4 10.766 4.838 38.957 1.00 0.00 C
23
+ ATOM 22 CB GLU A 4 10.188 2.414 39.209 1.00 0.00 C
24
+ ATOM 23 O GLU A 4 10.803 5.286 40.106 1.00 0.00 O
25
+ ATOM 24 CG GLU A 4 8.851 2.456 38.484 1.00 0.00 C
26
+ ATOM 25 CD GLU A 4 7.866 1.407 38.979 1.00 0.00 C
27
+ ATOM 26 OE1 GLU A 4 8.147 0.195 38.835 1.00 0.00 O
28
+ ATOM 27 OE2 GLU A 4 6.807 1.801 39.514 1.00 0.00 O
29
+ ATOM 28 N ILE A 5 10.367 5.545 37.956 1.00 0.00 N
30
+ ATOM 29 CA ILE A 5 9.992 6.950 38.064 1.00 0.00 C
31
+ ATOM 30 C ILE A 5 8.618 7.168 37.434 1.00 0.00 C
32
+ ATOM 31 CB ILE A 5 11.040 7.868 37.395 1.00 0.00 C
33
+ ATOM 32 O ILE A 5 8.322 6.619 36.370 1.00 0.00 O
34
+ ATOM 33 CG1 ILE A 5 12.431 7.606 37.982 1.00 0.00 C
35
+ ATOM 34 CG2 ILE A 5 10.647 9.340 37.551 1.00 0.00 C
36
+ ATOM 35 CD1 ILE A 5 13.565 8.253 37.199 1.00 0.00 C
37
+ ATOM 36 N ARG A 6 7.857 7.901 38.115 1.00 0.00 N
38
+ ATOM 37 CA ARG A 6 6.590 8.370 37.564 1.00 0.00 C
39
+ ATOM 38 C ARG A 6 6.710 9.805 37.062 1.00 0.00 C
40
+ ATOM 39 CB ARG A 6 5.479 8.272 38.610 1.00 0.00 C
41
+ ATOM 40 O ARG A 6 7.140 10.693 37.802 1.00 0.00 O
42
+ ATOM 41 CG ARG A 6 4.106 8.671 38.091 1.00 0.00 C
43
+ ATOM 42 CD ARG A 6 3.039 8.552 39.168 1.00 0.00 C
44
+ ATOM 43 NE ARG A 6 2.866 7.170 39.607 1.00 0.00 N
45
+ ATOM 44 NH1 ARG A 6 1.035 6.753 38.263 1.00 0.00 N
46
+ ATOM 45 NH2 ARG A 6 1.854 5.109 39.633 1.00 0.00 N
47
+ ATOM 46 CZ ARG A 6 1.919 6.347 39.167 1.00 0.00 C
48
+ ATOM 47 N VAL A 7 6.320 10.019 35.796 1.00 0.00 N
49
+ ATOM 48 CA VAL A 7 6.355 11.372 35.250 1.00 0.00 C
50
+ ATOM 49 C VAL A 7 5.014 11.703 34.601 1.00 0.00 C
51
+ ATOM 50 CB VAL A 7 7.499 11.541 34.225 1.00 0.00 C
52
+ ATOM 51 O VAL A 7 4.299 10.807 34.146 1.00 0.00 O
53
+ ATOM 52 CG1 VAL A 7 8.852 11.249 34.873 1.00 0.00 C
54
+ ATOM 53 CG2 VAL A 7 7.273 10.632 33.020 1.00 0.00 C
55
+ ATOM 54 N ARG A 8 4.687 12.911 34.588 1.00 0.00 N
56
+ ATOM 55 CA ARG A 8 3.489 13.430 33.935 1.00 0.00 C
57
+ ATOM 56 C ARG A 8 3.854 14.382 32.800 1.00 0.00 C
58
+ ATOM 57 CB ARG A 8 2.591 14.143 34.948 1.00 0.00 C
59
+ ATOM 58 O ARG A 8 4.476 15.421 33.030 1.00 0.00 O
60
+ ATOM 59 CG ARG A 8 1.861 13.202 35.893 1.00 0.00 C
61
+ ATOM 60 CD ARG A 8 0.963 13.960 36.862 1.00 0.00 C
62
+ ATOM 61 NE ARG A 8 0.110 13.055 37.626 1.00 0.00 N
63
+ ATOM 62 NH1 ARG A 8 0.314 14.211 39.615 1.00 0.00 N
64
+ ATOM 63 NH2 ARG A 8 -0.966 12.313 39.514 1.00 0.00 N
65
+ ATOM 64 CZ ARG A 8 -0.179 13.195 38.917 1.00 0.00 C
66
+ ATOM 65 N VAL A 9 3.462 14.047 31.623 1.00 0.00 N
67
+ ATOM 66 CA VAL A 9 3.732 14.836 30.426 1.00 0.00 C
68
+ ATOM 67 C VAL A 9 2.456 15.544 29.975 1.00 0.00 C
69
+ ATOM 68 CB VAL A 9 4.289 13.960 29.282 1.00 0.00 C
70
+ ATOM 69 O VAL A 9 1.441 14.895 29.710 1.00 0.00 O
71
+ ATOM 70 CG1 VAL A 9 4.667 14.821 28.078 1.00 0.00 C
72
+ ATOM 71 CG2 VAL A 9 5.493 13.154 29.766 1.00 0.00 C
73
+ ATOM 72 N GLU A 10 2.508 16.831 29.912 1.00 0.00 N
74
+ ATOM 73 CA GLU A 10 1.398 17.613 29.374 1.00 0.00 C
75
+ ATOM 74 C GLU A 10 1.491 17.731 27.856 1.00 0.00 C
76
+ ATOM 75 CB GLU A 10 1.365 19.006 30.009 1.00 0.00 C
77
+ ATOM 76 O GLU A 10 2.396 18.386 27.334 1.00 0.00 O
78
+ ATOM 77 CG GLU A 10 1.156 18.990 31.517 1.00 0.00 C
79
+ ATOM 78 CD GLU A 10 -0.220 18.492 31.928 1.00 0.00 C
80
+ ATOM 79 OE1 GLU A 10 -1.171 18.601 31.120 1.00 0.00 O
81
+ ATOM 80 OE2 GLU A 10 -0.350 17.990 33.067 1.00 0.00 O
82
+ ATOM 81 N LYS A 11 0.607 17.049 27.263 1.00 0.00 N
83
+ ATOM 82 CA LYS A 11 0.596 16.976 25.805 1.00 0.00 C
84
+ ATOM 83 C LYS A 11 0.368 18.353 25.187 1.00 0.00 C
85
+ ATOM 84 CB LYS A 11 -0.481 16.002 25.324 1.00 0.00 C
86
+ ATOM 85 O LYS A 11 -0.512 19.098 25.625 1.00 0.00 O
87
+ ATOM 86 CG LYS A 11 -0.363 15.624 23.855 1.00 0.00 C
88
+ ATOM 87 CD LYS A 11 -1.288 14.469 23.499 1.00 0.00 C
89
+ ATOM 88 CE LYS A 11 -1.145 14.067 22.037 1.00 0.00 C
90
+ ATOM 89 NZ LYS A 11 -2.004 12.893 21.698 1.00 0.00 N
91
+ ATOM 90 N ASP A 12 1.254 18.773 24.178 1.00 0.00 N
92
+ ATOM 91 CA ASP A 12 1.203 20.039 23.453 1.00 0.00 C
93
+ ATOM 92 C ASP A 12 1.534 19.841 21.976 1.00 0.00 C
94
+ ATOM 93 CB ASP A 12 2.166 21.053 24.076 1.00 0.00 C
95
+ ATOM 94 O ASP A 12 2.628 20.186 21.527 1.00 0.00 O
96
+ ATOM 95 CG ASP A 12 2.014 22.448 23.497 1.00 0.00 C
97
+ ATOM 96 OD1 ASP A 12 0.982 22.732 22.851 1.00 0.00 O
98
+ ATOM 97 OD2 ASP A 12 2.935 23.272 23.686 1.00 0.00 O
99
+ ATOM 98 N PRO A 13 0.807 19.844 21.000 1.00 0.00 N
100
+ ATOM 99 CA PRO A 13 -0.052 18.784 20.467 1.00 0.00 C
101
+ ATOM 100 C PRO A 13 0.578 17.398 20.587 1.00 0.00 C
102
+ ATOM 101 CB PRO A 13 -0.230 19.179 18.999 1.00 0.00 C
103
+ ATOM 102 O PRO A 13 -0.124 16.388 20.500 1.00 0.00 O
104
+ ATOM 103 CG PRO A 13 0.907 20.106 18.712 1.00 0.00 C
105
+ ATOM 104 CD PRO A 13 1.320 20.766 19.996 1.00 0.00 C
106
+ ATOM 105 N GLU A 14 1.842 17.323 20.843 1.00 0.00 N
107
+ ATOM 106 CA GLU A 14 2.598 16.077 20.921 1.00 0.00 C
108
+ ATOM 107 C GLU A 14 3.283 15.930 22.278 1.00 0.00 C
109
+ ATOM 108 CB GLU A 14 3.635 16.005 19.797 1.00 0.00 C
110
+ ATOM 109 O GLU A 14 3.404 16.903 23.026 1.00 0.00 O
111
+ ATOM 110 CG GLU A 14 3.030 16.017 18.401 1.00 0.00 C
112
+ ATOM 111 CD GLU A 14 4.050 15.760 17.304 1.00 0.00 C
113
+ ATOM 112 OE1 GLU A 14 5.269 15.804 17.586 1.00 0.00 O
114
+ ATOM 113 OE2 GLU A 14 3.627 15.512 16.152 1.00 0.00 O
115
+ ATOM 114 N LEU A 15 3.753 14.809 22.570 1.00 0.00 N
116
+ ATOM 115 CA LEU A 15 4.409 14.503 23.837 1.00 0.00 C
117
+ ATOM 116 C LEU A 15 5.876 14.922 23.803 1.00 0.00 C
118
+ ATOM 117 CB LEU A 15 4.300 13.009 24.150 1.00 0.00 C
119
+ ATOM 118 O LEU A 15 6.495 15.115 24.852 1.00 0.00 O
120
+ ATOM 119 CG LEU A 15 2.917 12.501 24.560 1.00 0.00 C
121
+ ATOM 120 CD1 LEU A 15 2.867 10.979 24.482 1.00 0.00 C
122
+ ATOM 121 CD2 LEU A 15 2.565 12.982 25.963 1.00 0.00 C
123
+ ATOM 122 N GLY A 16 6.457 15.006 22.616 1.00 0.00 N
124
+ ATOM 123 CA GLY A 16 7.791 15.562 22.452 1.00 0.00 C
125
+ ATOM 124 C GLY A 16 8.893 14.541 22.657 1.00 0.00 C
126
+ ATOM 125 O GLY A 16 9.973 14.875 23.148 1.00 0.00 O
127
+ ATOM 126 N PHE A 17 8.656 13.256 22.334 1.00 0.00 N
128
+ ATOM 127 CA PHE A 17 9.715 12.253 22.351 1.00 0.00 C
129
+ ATOM 128 C PHE A 17 9.440 11.158 21.327 1.00 0.00 C
130
+ ATOM 129 CB PHE A 17 9.855 11.641 23.749 1.00 0.00 C
131
+ ATOM 130 O PHE A 17 8.325 11.049 20.812 1.00 0.00 O
132
+ ATOM 131 CG PHE A 17 8.591 11.007 24.262 1.00 0.00 C
133
+ ATOM 132 CD1 PHE A 17 7.678 11.745 25.006 1.00 0.00 C
134
+ ATOM 133 CD2 PHE A 17 8.316 9.671 24.004 1.00 0.00 C
135
+ ATOM 134 CE1 PHE A 17 6.508 11.162 25.484 1.00 0.00 C
136
+ ATOM 135 CE2 PHE A 17 7.148 9.080 24.477 1.00 0.00 C
137
+ ATOM 136 CZ PHE A 17 6.246 9.827 25.217 1.00 0.00 C
138
+ ATOM 137 N SER A 18 10.442 10.387 21.002 1.00 0.00 N
139
+ ATOM 138 CA SER A 18 10.379 9.224 20.124 1.00 0.00 C
140
+ ATOM 139 C SER A 18 10.633 7.933 20.897 1.00 0.00 C
141
+ ATOM 140 CB SER A 18 11.393 9.355 18.987 1.00 0.00 C
142
+ ATOM 141 O SER A 18 11.321 7.940 21.920 1.00 0.00 O
143
+ ATOM 142 OG SER A 18 11.125 10.505 18.204 1.00 0.00 O
144
+ ATOM 143 N ILE A 19 10.116 6.854 20.374 1.00 0.00 N
145
+ ATOM 144 CA ILE A 19 10.301 5.573 21.047 1.00 0.00 C
146
+ ATOM 145 C ILE A 19 10.783 4.528 20.044 1.00 0.00 C
147
+ ATOM 146 CB ILE A 19 8.998 5.100 21.729 1.00 0.00 C
148
+ ATOM 147 O ILE A 19 10.613 4.695 18.834 1.00 0.00 O
149
+ ATOM 148 CG1 ILE A 19 7.864 4.997 20.702 1.00 0.00 C
150
+ ATOM 149 CG2 ILE A 19 8.614 6.043 22.874 1.00 0.00 C
151
+ ATOM 150 CD1 ILE A 19 6.628 4.272 21.216 1.00 0.00 C
152
+ ATOM 151 N SER A 20 11.368 3.517 20.572 1.00 0.00 N
153
+ ATOM 152 CA SER A 20 11.729 2.312 19.832 1.00 0.00 C
154
+ ATOM 153 C SER A 20 11.452 1.056 20.652 1.00 0.00 C
155
+ ATOM 154 CB SER A 20 13.202 2.352 19.427 1.00 0.00 C
156
+ ATOM 155 O SER A 20 11.194 1.138 21.855 1.00 0.00 O
157
+ ATOM 156 OG SER A 20 14.039 2.339 20.571 1.00 0.00 O
158
+ ATOM 157 N GLY A 21 11.465 -0.067 20.033 1.00 0.00 N
159
+ ATOM 158 CA GLY A 21 11.215 -1.340 20.692 1.00 0.00 C
160
+ ATOM 159 C GLY A 21 9.795 -1.838 20.505 1.00 0.00 C
161
+ ATOM 160 O GLY A 21 9.096 -1.408 19.584 1.00 0.00 O
162
+ ATOM 161 N GLY A 22 9.370 -2.712 21.364 1.00 0.00 N
163
+ ATOM 162 CA GLY A 22 8.099 -3.415 21.281 1.00 0.00 C
164
+ ATOM 163 C GLY A 22 8.232 -4.825 20.738 1.00 0.00 C
165
+ ATOM 164 O GLY A 22 9.155 -5.119 19.975 1.00 0.00 O
166
+ ATOM 165 N VAL A 23 7.332 -5.627 21.056 1.00 0.00 N
167
+ ATOM 166 CA VAL A 23 7.356 -7.018 20.614 1.00 0.00 C
168
+ ATOM 167 C VAL A 23 7.178 -7.082 19.098 1.00 0.00 C
169
+ ATOM 168 CB VAL A 23 6.264 -7.855 21.316 1.00 0.00 C
170
+ ATOM 169 O VAL A 23 6.288 -6.432 18.544 1.00 0.00 O
171
+ ATOM 170 CG1 VAL A 23 6.187 -9.256 20.711 1.00 0.00 C
172
+ ATOM 171 CG2 VAL A 23 6.533 -7.931 22.817 1.00 0.00 C
173
+ ATOM 172 N GLY A 24 8.063 -7.859 18.471 1.00 0.00 N
174
+ ATOM 173 CA GLY A 24 7.963 -8.060 17.035 1.00 0.00 C
175
+ ATOM 174 C GLY A 24 8.481 -6.882 16.230 1.00 0.00 C
176
+ ATOM 175 O GLY A 24 8.270 -6.811 15.018 1.00 0.00 O
177
+ ATOM 176 N GLY A 25 9.085 -5.873 16.852 1.00 0.00 N
178
+ ATOM 177 CA GLY A 25 9.618 -4.696 16.183 1.00 0.00 C
179
+ ATOM 178 C GLY A 25 11.114 -4.772 15.944 1.00 0.00 C
180
+ ATOM 179 O GLY A 25 11.731 -5.816 16.165 1.00 0.00 O
181
+ ATOM 180 N ARG A 26 11.709 -3.706 15.423 1.00 0.00 N
182
+ ATOM 181 CA ARG A 26 13.097 -3.594 14.987 1.00 0.00 C
183
+ ATOM 182 C ARG A 26 14.048 -3.609 16.180 1.00 0.00 C
184
+ ATOM 183 CB ARG A 26 13.303 -2.319 14.168 1.00 0.00 C
185
+ ATOM 184 O ARG A 26 15.267 -3.552 16.008 1.00 0.00 O
186
+ ATOM 185 CG ARG A 26 12.588 -2.326 12.826 1.00 0.00 C
187
+ ATOM 186 CD ARG A 26 12.957 -1.114 11.983 1.00 0.00 C
188
+ ATOM 187 NE ARG A 26 12.161 -1.044 10.761 1.00 0.00 N
189
+ ATOM 188 NH1 ARG A 26 13.576 0.424 9.676 1.00 0.00 N
190
+ ATOM 189 NH2 ARG A 26 11.677 -0.325 8.634 1.00 0.00 N
191
+ ATOM 190 CZ ARG A 26 12.473 -0.315 9.693 1.00 0.00 C
192
+ ATOM 191 N GLY A 27 13.499 -3.716 17.453 1.00 0.00 N
193
+ ATOM 192 CA GLY A 27 14.377 -3.667 18.611 1.00 0.00 C
194
+ ATOM 193 C GLY A 27 14.695 -2.252 19.059 1.00 0.00 C
195
+ ATOM 194 O GLY A 27 14.111 -1.290 18.557 1.00 0.00 O
196
+ ATOM 195 N ASN A 28 15.531 -2.075 20.179 1.00 0.00 N
197
+ ATOM 196 CA ASN A 28 15.958 -0.797 20.737 1.00 0.00 C
198
+ ATOM 197 C ASN A 28 17.479 -0.701 20.819 1.00 0.00 C
199
+ ATOM 198 CB ASN A 28 15.336 -0.581 22.118 1.00 0.00 C
200
+ ATOM 199 O ASN A 28 18.167 -1.721 20.872 1.00 0.00 O
201
+ ATOM 200 CG ASN A 28 15.907 -1.514 23.169 1.00 0.00 C
202
+ ATOM 201 ND2 ASN A 28 15.229 -2.633 23.398 1.00 0.00 N
203
+ ATOM 202 OD1 ASN A 28 16.948 -1.232 23.768 1.00 0.00 O
204
+ ATOM 203 N PRO A 29 18.080 0.516 20.798 1.00 0.00 N
205
+ ATOM 204 CA PRO A 29 19.537 0.669 20.807 1.00 0.00 C
206
+ ATOM 205 C PRO A 29 20.130 0.585 22.212 1.00 0.00 C
207
+ ATOM 206 CB PRO A 29 19.749 2.060 20.207 1.00 0.00 C
208
+ ATOM 207 O PRO A 29 21.353 0.578 22.370 1.00 0.00 O
209
+ ATOM 208 CG PRO A 29 18.476 2.794 20.481 1.00 0.00 C
210
+ ATOM 209 CD PRO A 29 17.341 1.812 20.435 1.00 0.00 C
211
+ ATOM 210 N PHE A 30 19.405 0.530 23.231 1.00 0.00 N
212
+ ATOM 211 CA PHE A 30 19.930 0.654 24.585 1.00 0.00 C
213
+ ATOM 212 C PHE A 30 20.101 -0.718 25.227 1.00 0.00 C
214
+ ATOM 213 CB PHE A 30 19.009 1.525 25.444 1.00 0.00 C
215
+ ATOM 214 O PHE A 30 21.075 -0.957 25.944 1.00 0.00 O
216
+ ATOM 215 CG PHE A 30 18.807 2.914 24.901 1.00 0.00 C
217
+ ATOM 216 CD1 PHE A 30 19.815 3.866 24.996 1.00 0.00 C
218
+ ATOM 217 CD2 PHE A 30 17.608 3.268 24.295 1.00 0.00 C
219
+ ATOM 218 CE1 PHE A 30 19.631 5.152 24.495 1.00 0.00 C
220
+ ATOM 219 CE2 PHE A 30 17.418 4.551 23.792 1.00 0.00 C
221
+ ATOM 220 CZ PHE A 30 18.429 5.492 23.893 1.00 0.00 C
222
+ ATOM 221 N ARG A 31 19.112 -1.605 25.032 1.00 0.00 N
223
+ ATOM 222 CA ARG A 31 19.120 -2.958 25.577 1.00 0.00 C
224
+ ATOM 223 C ARG A 31 18.650 -3.970 24.538 1.00 0.00 C
225
+ ATOM 224 CB ARG A 31 18.239 -3.041 26.825 1.00 0.00 C
226
+ ATOM 225 O ARG A 31 17.483 -4.370 24.537 1.00 0.00 O
227
+ ATOM 226 CG ARG A 31 18.658 -2.094 27.939 1.00 0.00 C
228
+ ATOM 227 CD ARG A 31 17.800 -2.273 29.184 1.00 0.00 C
229
+ ATOM 228 NE ARG A 31 18.010 -1.193 30.143 1.00 0.00 N
230
+ ATOM 229 NH1 ARG A 31 16.240 -1.780 31.507 1.00 0.00 N
231
+ ATOM 230 NH2 ARG A 31 17.545 0.030 32.031 1.00 0.00 N
232
+ ATOM 231 CZ ARG A 31 17.264 -0.983 31.224 1.00 0.00 C
233
+ ATOM 232 N PRO A 32 19.472 -4.389 23.647 1.00 0.00 N
234
+ ATOM 233 CA PRO A 32 19.114 -5.181 22.468 1.00 0.00 C
235
+ ATOM 234 C PRO A 32 18.378 -6.471 22.825 1.00 0.00 C
236
+ ATOM 235 CB PRO A 32 20.468 -5.486 21.823 1.00 0.00 C
237
+ ATOM 236 O PRO A 32 17.610 -6.994 22.014 1.00 0.00 O
238
+ ATOM 237 CG PRO A 32 21.358 -4.366 22.257 1.00 0.00 C
239
+ ATOM 238 CD PRO A 32 20.918 -3.909 23.618 1.00 0.00 C
240
+ ATOM 239 N ASP A 33 18.499 -7.028 24.026 1.00 0.00 N
241
+ ATOM 240 CA ASP A 33 17.831 -8.263 24.423 1.00 0.00 C
242
+ ATOM 241 C ASP A 33 16.520 -7.970 25.151 1.00 0.00 C
243
+ ATOM 242 CB ASP A 33 18.747 -9.109 25.310 1.00 0.00 C
244
+ ATOM 243 O ASP A 33 15.884 -8.881 25.685 1.00 0.00 O
245
+ ATOM 244 CG ASP A 33 19.969 -9.630 24.573 1.00 0.00 C
246
+ ATOM 245 OD1 ASP A 33 19.861 -9.967 23.374 1.00 0.00 O
247
+ ATOM 246 OD2 ASP A 33 21.048 -9.707 25.198 1.00 0.00 O
248
+ ATOM 247 N ASP A 34 16.211 -6.796 25.212 1.00 0.00 N
249
+ ATOM 248 CA ASP A 34 14.983 -6.352 25.864 1.00 0.00 C
250
+ ATOM 249 C ASP A 34 13.958 -5.872 24.838 1.00 0.00 C
251
+ ATOM 250 CB ASP A 34 15.280 -5.240 26.870 1.00 0.00 C
252
+ ATOM 251 O ASP A 34 14.269 -5.034 23.989 1.00 0.00 O
253
+ ATOM 252 CG ASP A 34 14.107 -4.936 27.785 1.00 0.00 C
254
+ ATOM 253 OD1 ASP A 34 12.945 -5.153 27.377 1.00 0.00 O
255
+ ATOM 254 OD2 ASP A 34 14.345 -4.474 28.922 1.00 0.00 O
256
+ ATOM 255 N ASP A 35 12.826 -6.400 24.767 1.00 0.00 N
257
+ ATOM 256 CA ASP A 35 11.809 -6.054 23.778 1.00 0.00 C
258
+ ATOM 257 C ASP A 35 10.848 -5.000 24.323 1.00 0.00 C
259
+ ATOM 258 CB ASP A 35 11.033 -7.301 23.348 1.00 0.00 C
260
+ ATOM 259 O ASP A 35 9.697 -4.917 23.890 1.00 0.00 O
261
+ ATOM 260 CG ASP A 35 10.386 -8.029 24.514 1.00 0.00 C
262
+ ATOM 261 OD1 ASP A 35 10.534 -7.579 25.671 1.00 0.00 O
263
+ ATOM 262 OD2 ASP A 35 9.726 -9.061 24.274 1.00 0.00 O
264
+ ATOM 263 N GLY A 36 11.240 -4.233 25.321 1.00 0.00 N
265
+ ATOM 264 CA GLY A 36 10.442 -3.151 25.875 1.00 0.00 C
266
+ ATOM 265 C GLY A 36 10.387 -1.930 24.977 1.00 0.00 C
267
+ ATOM 266 O GLY A 36 11.012 -1.906 23.914 1.00 0.00 O
268
+ ATOM 267 N ILE A 37 9.633 -0.990 25.343 1.00 0.00 N
269
+ ATOM 268 CA ILE A 37 9.520 0.304 24.680 1.00 0.00 C
270
+ ATOM 269 C ILE A 37 10.495 1.296 25.312 1.00 0.00 C
271
+ ATOM 270 CB ILE A 37 8.077 0.853 24.751 1.00 0.00 C
272
+ ATOM 271 O ILE A 37 10.452 1.532 26.521 1.00 0.00 O
273
+ ATOM 272 CG1 ILE A 37 7.124 -0.050 23.960 1.00 0.00 C
274
+ ATOM 273 CG2 ILE A 37 8.021 2.293 24.236 1.00 0.00 C
275
+ ATOM 274 CD1 ILE A 37 7.370 -0.043 22.457 1.00 0.00 C
276
+ ATOM 275 N PHE A 38 11.358 1.851 24.559 1.00 0.00 N
277
+ ATOM 276 CA PHE A 38 12.397 2.740 25.065 1.00 0.00 C
278
+ ATOM 277 C PHE A 38 12.290 4.118 24.424 1.00 0.00 C
279
+ ATOM 278 CB PHE A 38 13.786 2.147 24.806 1.00 0.00 C
280
+ ATOM 279 O PHE A 38 12.007 4.234 23.229 1.00 0.00 O
281
+ ATOM 280 CG PHE A 38 14.099 0.943 25.651 1.00 0.00 C
282
+ ATOM 281 CD1 PHE A 38 14.786 1.078 26.852 1.00 0.00 C
283
+ ATOM 282 CD2 PHE A 38 13.707 -0.327 25.246 1.00 0.00 C
284
+ ATOM 283 CE1 PHE A 38 15.077 -0.035 27.637 1.00 0.00 C
285
+ ATOM 284 CE2 PHE A 38 13.994 -1.443 26.026 1.00 0.00 C
286
+ ATOM 285 CZ PHE A 38 14.681 -1.295 27.220 1.00 0.00 C
287
+ ATOM 286 N VAL A 39 12.505 5.153 25.202 1.00 0.00 N
288
+ ATOM 287 CA VAL A 39 12.638 6.514 24.692 1.00 0.00 C
289
+ ATOM 288 C VAL A 39 13.966 6.662 23.953 1.00 0.00 C
290
+ ATOM 289 CB VAL A 39 12.540 7.558 25.826 1.00 0.00 C
291
+ ATOM 290 O VAL A 39 15.031 6.412 24.522 1.00 0.00 O
292
+ ATOM 291 CG1 VAL A 39 12.712 8.972 25.275 1.00 0.00 C
293
+ ATOM 292 CG2 VAL A 39 11.207 7.426 26.560 1.00 0.00 C
294
+ ATOM 293 N THR A 40 13.907 7.112 22.665 1.00 0.00 N
295
+ ATOM 294 CA THR A 40 15.135 7.184 21.883 1.00 0.00 C
296
+ ATOM 295 C THR A 40 15.574 8.633 21.695 1.00 0.00 C
297
+ ATOM 296 CB THR A 40 14.962 6.516 20.506 1.00 0.00 C
298
+ ATOM 297 O THR A 40 16.767 8.915 21.559 1.00 0.00 O
299
+ ATOM 298 CG2 THR A 40 14.856 5.000 20.641 1.00 0.00 C
300
+ ATOM 299 OG1 THR A 40 13.770 7.014 19.888 1.00 0.00 O
301
+ ATOM 300 N ARG A 41 14.659 9.508 21.639 1.00 0.00 N
302
+ ATOM 301 CA ARG A 41 14.918 10.937 21.505 1.00 0.00 C
303
+ ATOM 302 C ARG A 41 13.899 11.754 22.292 1.00 0.00 C
304
+ ATOM 303 CB ARG A 41 14.896 11.351 20.032 1.00 0.00 C
305
+ ATOM 304 O ARG A 41 12.745 11.346 22.434 1.00 0.00 O
306
+ ATOM 305 CG ARG A 41 16.029 10.758 19.209 1.00 0.00 C
307
+ ATOM 306 CD ARG A 41 16.043 11.309 17.790 1.00 0.00 C
308
+ ATOM 307 NE ARG A 41 17.107 10.709 16.989 1.00 0.00 N
309
+ ATOM 308 NH1 ARG A 41 16.795 12.091 15.163 1.00 0.00 N
310
+ ATOM 309 NH2 ARG A 41 18.425 10.479 15.122 1.00 0.00 N
311
+ ATOM 310 CZ ARG A 41 17.439 11.094 15.760 1.00 0.00 C
312
+ ATOM 311 N VAL A 42 14.398 12.853 22.775 1.00 0.00 N
313
+ ATOM 312 CA VAL A 42 13.542 13.825 23.445 1.00 0.00 C
314
+ ATOM 313 C VAL A 42 13.700 15.193 22.786 1.00 0.00 C
315
+ ATOM 314 CB VAL A 42 13.863 13.921 24.954 1.00 0.00 C
316
+ ATOM 315 O VAL A 42 14.819 15.681 22.613 1.00 0.00 O
317
+ ATOM 316 CG1 VAL A 42 12.933 14.919 25.641 1.00 0.00 C
318
+ ATOM 317 CG2 VAL A 42 13.755 12.546 25.609 1.00 0.00 C
319
+ ATOM 318 N GLN A 43 12.628 15.718 22.343 1.00 0.00 N
320
+ ATOM 319 CA GLN A 43 12.646 17.051 21.748 1.00 0.00 C
321
+ ATOM 320 C GLN A 43 13.136 18.094 22.749 1.00 0.00 C
322
+ ATOM 321 CB GLN A 43 11.256 17.429 21.234 1.00 0.00 C
323
+ ATOM 322 O GLN A 43 12.567 18.234 23.834 1.00 0.00 O
324
+ ATOM 323 CG GLN A 43 11.200 18.791 20.557 1.00 0.00 C
325
+ ATOM 324 CD GLN A 43 9.809 19.146 20.064 1.00 0.00 C
326
+ ATOM 325 NE2 GLN A 43 9.652 20.364 19.557 1.00 0.00 N
327
+ ATOM 326 OE1 GLN A 43 8.883 18.331 20.140 1.00 0.00 O
328
+ ATOM 327 N PRO A 44 14.125 18.836 22.283 1.00 0.00 N
329
+ ATOM 328 CA PRO A 44 14.543 19.899 23.200 1.00 0.00 C
330
+ ATOM 329 C PRO A 44 13.424 20.894 23.498 1.00 0.00 C
331
+ ATOM 330 CB PRO A 44 15.693 20.577 22.452 1.00 0.00 C
332
+ ATOM 331 O PRO A 44 12.679 21.280 22.594 1.00 0.00 O
333
+ ATOM 332 CG PRO A 44 16.134 19.574 21.437 1.00 0.00 C
334
+ ATOM 333 CD PRO A 44 14.947 18.742 21.041 1.00 0.00 C
335
+ ATOM 334 N GLU A 45 13.191 21.290 24.679 1.00 0.00 N
336
+ ATOM 335 CA GLU A 45 12.210 22.269 25.138 1.00 0.00 C
337
+ ATOM 336 C GLU A 45 10.786 21.799 24.854 1.00 0.00 C
338
+ ATOM 337 CB GLU A 45 12.456 23.628 24.477 1.00 0.00 C
339
+ ATOM 338 O GLU A 45 9.853 22.604 24.836 1.00 0.00 O
340
+ ATOM 339 CG GLU A 45 13.828 24.216 24.775 1.00 0.00 C
341
+ ATOM 340 CD GLU A 45 14.040 25.587 24.153 1.00 0.00 C
342
+ ATOM 341 OE1 GLU A 45 13.340 25.923 23.170 1.00 0.00 O
343
+ ATOM 342 OE2 GLU A 45 14.914 26.331 24.650 1.00 0.00 O
344
+ ATOM 343 N GLY A 46 10.644 20.560 24.541 1.00 0.00 N
345
+ ATOM 344 CA GLY A 46 9.316 19.994 24.365 1.00 0.00 C
346
+ ATOM 345 C GLY A 46 8.677 19.554 25.668 1.00 0.00 C
347
+ ATOM 346 O GLY A 46 9.278 19.687 26.737 1.00 0.00 O
348
+ ATOM 347 N PRO A 47 7.376 19.018 25.610 1.00 0.00 N
349
+ ATOM 348 CA PRO A 47 6.628 18.659 26.817 1.00 0.00 C
350
+ ATOM 349 C PRO A 47 7.372 17.656 27.697 1.00 0.00 C
351
+ ATOM 350 CB PRO A 47 5.338 18.048 26.265 1.00 0.00 C
352
+ ATOM 351 O PRO A 47 7.281 17.719 28.926 1.00 0.00 O
353
+ ATOM 352 CG PRO A 47 5.143 18.704 24.936 1.00 0.00 C
354
+ ATOM 353 CD PRO A 47 6.492 18.941 24.319 1.00 0.00 C
355
+ ATOM 354 N ALA A 48 8.041 16.795 27.085 1.00 0.00 N
356
+ ATOM 355 CA ALA A 48 8.715 15.752 27.854 1.00 0.00 C
357
+ ATOM 356 C ALA A 48 10.123 16.188 28.250 1.00 0.00 C
358
+ ATOM 357 CB ALA A 48 8.770 14.452 27.054 1.00 0.00 C
359
+ ATOM 358 O ALA A 48 10.844 15.445 28.920 1.00 0.00 O
360
+ ATOM 359 N SER A 49 10.459 17.534 27.737 1.00 0.00 N
361
+ ATOM 360 CA SER A 49 11.784 18.079 28.010 1.00 0.00 C
362
+ ATOM 361 C SER A 49 12.004 18.277 29.506 1.00 0.00 C
363
+ ATOM 362 CB SER A 49 11.980 19.407 27.277 1.00 0.00 C
364
+ ATOM 363 O SER A 49 11.071 18.618 30.235 1.00 0.00 O
365
+ ATOM 364 OG SER A 49 11.376 20.470 27.993 1.00 0.00 O
366
+ ATOM 365 N LYS A 50 12.968 17.661 30.091 1.00 0.00 N
367
+ ATOM 366 CA LYS A 50 13.428 17.675 31.476 1.00 0.00 C
368
+ ATOM 367 C LYS A 50 12.809 16.530 32.273 1.00 0.00 C
369
+ ATOM 368 CB LYS A 50 13.098 19.014 32.138 1.00 0.00 C
370
+ ATOM 369 O LYS A 50 13.059 16.396 33.473 1.00 0.00 O
371
+ ATOM 370 CG LYS A 50 13.780 20.210 31.491 1.00 0.00 C
372
+ ATOM 371 CD LYS A 50 13.468 21.501 32.234 1.00 0.00 C
373
+ ATOM 372 CE LYS A 50 14.122 22.705 31.568 1.00 0.00 C
374
+ ATOM 373 NZ LYS A 50 13.754 23.983 32.247 1.00 0.00 N
375
+ ATOM 374 N LEU A 51 11.844 15.763 31.661 1.00 0.00 N
376
+ ATOM 375 CA LEU A 51 11.178 14.670 32.358 1.00 0.00 C
377
+ ATOM 376 C LEU A 51 11.751 13.323 31.932 1.00 0.00 C
378
+ ATOM 377 CB LEU A 51 9.670 14.703 32.091 1.00 0.00 C
379
+ ATOM 378 O LEU A 51 11.956 12.438 32.766 1.00 0.00 O
380
+ ATOM 379 CG LEU A 51 8.930 15.965 32.538 1.00 0.00 C
381
+ ATOM 380 CD1 LEU A 51 7.510 15.971 31.981 1.00 0.00 C
382
+ ATOM 381 CD2 LEU A 51 8.914 16.065 34.059 1.00 0.00 C
383
+ ATOM 382 N LEU A 52 12.043 13.197 30.679 1.00 0.00 N
384
+ ATOM 383 CA LEU A 52 12.528 11.946 30.107 1.00 0.00 C
385
+ ATOM 384 C LEU A 52 13.952 12.103 29.584 1.00 0.00 C
386
+ ATOM 385 CB LEU A 52 11.606 11.480 28.977 1.00 0.00 C
387
+ ATOM 386 O LEU A 52 14.396 13.220 29.307 1.00 0.00 O
388
+ ATOM 387 CG LEU A 52 10.160 11.172 29.366 1.00 0.00 C
389
+ ATOM 388 CD1 LEU A 52 9.333 10.855 28.124 1.00 0.00 C
390
+ ATOM 389 CD2 LEU A 52 10.107 10.015 30.358 1.00 0.00 C
391
+ ATOM 390 N GLN A 53 14.624 10.985 29.382 1.00 0.00 N
392
+ ATOM 391 CA GLN A 53 15.953 10.879 28.789 1.00 0.00 C
393
+ ATOM 392 C GLN A 53 16.043 9.677 27.855 1.00 0.00 C
394
+ ATOM 393 CB GLN A 53 17.021 10.778 29.879 1.00 0.00 C
395
+ ATOM 394 O GLN A 53 15.361 8.671 28.060 1.00 0.00 O
396
+ ATOM 395 CG GLN A 53 16.984 11.923 30.884 1.00 0.00 C
397
+ ATOM 396 CD GLN A 53 17.929 11.708 32.052 1.00 0.00 C
398
+ ATOM 397 NE2 GLN A 53 17.741 12.481 33.116 1.00 0.00 N
399
+ ATOM 398 OE1 GLN A 53 18.819 10.854 31.999 1.00 0.00 O
400
+ ATOM 399 N PRO A 54 16.833 9.845 26.860 1.00 0.00 N
401
+ ATOM 400 CA PRO A 54 17.092 8.641 26.067 1.00 0.00 C
402
+ ATOM 401 C PRO A 54 17.563 7.464 26.920 1.00 0.00 C
403
+ ATOM 402 CB PRO A 54 18.189 9.086 25.098 1.00 0.00 C
404
+ ATOM 403 O PRO A 54 18.416 7.633 27.794 1.00 0.00 O
405
+ ATOM 404 CG PRO A 54 17.999 10.562 24.957 1.00 0.00 C
406
+ ATOM 405 CD PRO A 54 17.573 11.116 26.287 1.00 0.00 C
407
+ ATOM 406 N GLY A 55 16.954 6.314 26.702 1.00 0.00 N
408
+ ATOM 407 CA GLY A 55 17.276 5.125 27.473 1.00 0.00 C
409
+ ATOM 408 C GLY A 55 16.205 4.761 28.485 1.00 0.00 C
410
+ ATOM 409 O GLY A 55 16.217 3.660 29.040 1.00 0.00 O
411
+ ATOM 410 N ASP A 56 15.279 5.733 28.794 1.00 0.00 N
412
+ ATOM 411 CA ASP A 56 14.154 5.411 29.667 1.00 0.00 C
413
+ ATOM 412 C ASP A 56 13.291 4.303 29.067 1.00 0.00 C
414
+ ATOM 413 CB ASP A 56 13.305 6.657 29.929 1.00 0.00 C
415
+ ATOM 414 O ASP A 56 12.947 4.350 27.884 1.00 0.00 O
416
+ ATOM 415 CG ASP A 56 13.962 7.632 30.890 1.00 0.00 C
417
+ ATOM 416 OD1 ASP A 56 14.988 7.278 31.511 1.00 0.00 O
418
+ ATOM 417 OD2 ASP A 56 13.448 8.762 31.031 1.00 0.00 O
419
+ ATOM 418 N LYS A 57 12.985 3.305 29.832 1.00 0.00 N
420
+ ATOM 419 CA LYS A 57 12.043 2.265 29.426 1.00 0.00 C
421
+ ATOM 420 C LYS A 57 10.633 2.578 29.920 1.00 0.00 C
422
+ ATOM 421 CB LYS A 57 12.492 0.900 29.949 1.00 0.00 C
423
+ ATOM 422 O LYS A 57 10.416 2.752 31.121 1.00 0.00 O
424
+ ATOM 423 CG LYS A 57 11.614 -0.256 29.495 1.00 0.00 C
425
+ ATOM 424 CD LYS A 57 12.092 -1.582 30.073 1.00 0.00 C
426
+ ATOM 425 CE LYS A 57 11.196 -2.736 29.643 1.00 0.00 C
427
+ ATOM 426 NZ LYS A 57 11.652 -4.036 30.221 1.00 0.00 N
428
+ ATOM 427 N ILE A 58 9.698 2.687 29.036 1.00 0.00 N
429
+ ATOM 428 CA ILE A 58 8.304 2.912 29.403 1.00 0.00 C
430
+ ATOM 429 C ILE A 58 7.633 1.578 29.720 1.00 0.00 C
431
+ ATOM 430 CB ILE A 58 7.535 3.645 28.282 1.00 0.00 C
432
+ ATOM 431 O ILE A 58 7.554 0.695 28.863 1.00 0.00 O
433
+ ATOM 432 CG1 ILE A 58 8.279 4.921 27.870 1.00 0.00 C
434
+ ATOM 433 CG2 ILE A 58 6.106 3.964 28.726 1.00 0.00 C
435
+ ATOM 434 CD1 ILE A 58 7.673 5.631 26.668 1.00 0.00 C
436
+ ATOM 435 N ILE A 59 7.096 1.486 30.946 1.00 0.00 N
437
+ ATOM 436 CA ILE A 59 6.476 0.213 31.295 1.00 0.00 C
438
+ ATOM 437 C ILE A 59 4.972 0.404 31.479 1.00 0.00 C
439
+ ATOM 438 CB ILE A 59 7.100 -0.386 32.576 1.00 0.00 C
440
+ ATOM 439 O ILE A 59 4.219 -0.571 31.532 1.00 0.00 O
441
+ ATOM 440 CG1 ILE A 59 7.005 0.612 33.734 1.00 0.00 C
442
+ ATOM 441 CG2 ILE A 59 8.554 -0.799 32.326 1.00 0.00 C
443
+ ATOM 442 CD1 ILE A 59 7.282 0.002 35.102 1.00 0.00 C
444
+ ATOM 443 N GLN A 60 4.559 1.605 31.586 1.00 0.00 N
445
+ ATOM 444 CA GLN A 60 3.139 1.910 31.732 1.00 0.00 C
446
+ ATOM 445 C GLN A 60 2.834 3.335 31.279 1.00 0.00 C
447
+ ATOM 446 CB GLN A 60 2.693 1.713 33.182 1.00 0.00 C
448
+ ATOM 447 O GLN A 60 3.666 4.232 31.430 1.00 0.00 O
449
+ ATOM 448 CG GLN A 60 1.183 1.641 33.355 1.00 0.00 C
450
+ ATOM 449 CD GLN A 60 0.766 1.444 34.801 1.00 0.00 C
451
+ ATOM 450 NE2 GLN A 60 -0.326 2.089 35.196 1.00 0.00 N
452
+ ATOM 451 OE1 GLN A 60 1.421 0.719 35.556 1.00 0.00 O
453
+ ATOM 452 N ALA A 61 1.664 3.521 30.696 1.00 0.00 N
454
+ ATOM 453 CA ALA A 61 1.138 4.844 30.368 1.00 0.00 C
455
+ ATOM 454 C ALA A 61 -0.346 4.946 30.712 1.00 0.00 C
456
+ ATOM 455 CB ALA A 61 1.361 5.153 28.889 1.00 0.00 C
457
+ ATOM 456 O ALA A 61 -1.158 4.162 30.218 1.00 0.00 O
458
+ ATOM 457 N ASN A 62 -0.759 5.871 31.527 1.00 0.00 N
459
+ ATOM 458 CA ASN A 62 -2.125 6.074 31.994 1.00 0.00 C
460
+ ATOM 459 C ASN A 62 -2.773 4.761 32.423 1.00 0.00 C
461
+ ATOM 460 CB ASN A 62 -2.968 6.752 30.910 1.00 0.00 C
462
+ ATOM 461 O ASN A 62 -3.931 4.498 32.095 1.00 0.00 O
463
+ ATOM 462 CG ASN A 62 -2.692 8.239 30.801 1.00 0.00 C
464
+ ATOM 463 ND2 ASN A 62 -3.271 8.877 29.790 1.00 0.00 N
465
+ ATOM 464 OD1 ASN A 62 -1.964 8.810 31.617 1.00 0.00 O
466
+ ATOM 465 N GLY A 63 -2.078 3.889 33.002 1.00 0.00 N
467
+ ATOM 466 CA GLY A 63 -2.621 2.651 33.537 1.00 0.00 C
468
+ ATOM 467 C GLY A 63 -2.497 1.482 32.579 1.00 0.00 C
469
+ ATOM 468 O GLY A 63 -2.755 0.336 32.952 1.00 0.00 O
470
+ ATOM 469 N TYR A 64 -2.165 1.745 31.326 1.00 0.00 N
471
+ ATOM 470 CA TYR A 64 -1.952 0.670 30.363 1.00 0.00 C
472
+ ATOM 471 C TYR A 64 -0.524 0.143 30.443 1.00 0.00 C
473
+ ATOM 472 CB TYR A 64 -2.251 1.156 28.941 1.00 0.00 C
474
+ ATOM 473 O TYR A 64 0.434 0.917 30.385 1.00 0.00 O
475
+ ATOM 474 CG TYR A 64 -3.704 1.496 28.709 1.00 0.00 C
476
+ ATOM 475 CD1 TYR A 64 -4.614 0.519 28.312 1.00 0.00 C
477
+ ATOM 476 CD2 TYR A 64 -4.167 2.795 28.886 1.00 0.00 C
478
+ ATOM 477 CE1 TYR A 64 -5.952 0.829 28.096 1.00 0.00 C
479
+ ATOM 478 CE2 TYR A 64 -5.504 3.117 28.672 1.00 0.00 C
480
+ ATOM 479 OH TYR A 64 -7.712 2.440 28.065 1.00 0.00 O
481
+ ATOM 480 CZ TYR A 64 -6.387 2.128 28.278 1.00 0.00 C
482
+ ATOM 481 N SER A 65 -0.394 -1.153 30.524 1.00 0.00 N
483
+ ATOM 482 CA SER A 65 0.920 -1.782 30.599 1.00 0.00 C
484
+ ATOM 483 C SER A 65 1.595 -1.818 29.232 1.00 0.00 C
485
+ ATOM 484 CB SER A 65 0.804 -3.201 31.157 1.00 0.00 C
486
+ ATOM 485 O SER A 65 0.957 -2.146 28.228 1.00 0.00 O
487
+ ATOM 486 OG SER A 65 2.072 -3.833 31.192 1.00 0.00 O
488
+ ATOM 487 N PHE A 66 2.883 -1.494 29.224 1.00 0.00 N
489
+ ATOM 488 CA PHE A 66 3.703 -1.579 28.022 1.00 0.00 C
490
+ ATOM 489 C PHE A 66 4.571 -2.831 28.046 1.00 0.00 C
491
+ ATOM 490 CB PHE A 66 4.583 -0.332 27.881 1.00 0.00 C
492
+ ATOM 491 O PHE A 66 5.524 -2.948 27.273 1.00 0.00 O
493
+ ATOM 492 CG PHE A 66 3.874 0.843 27.263 1.00 0.00 C
494
+ ATOM 493 CD1 PHE A 66 2.529 1.076 27.521 1.00 0.00 C
495
+ ATOM 494 CD2 PHE A 66 4.555 1.714 26.423 1.00 0.00 C
496
+ ATOM 495 CE1 PHE A 66 1.871 2.163 26.950 1.00 0.00 C
497
+ ATOM 496 CE2 PHE A 66 3.905 2.804 25.849 1.00 0.00 C
498
+ ATOM 497 CZ PHE A 66 2.562 3.025 26.112 1.00 0.00 C
499
+ ATOM 498 N ILE A 67 4.212 -3.725 28.994 1.00 0.00 N
500
+ ATOM 499 CA ILE A 67 4.900 -5.011 29.038 1.00 0.00 C
501
+ ATOM 500 C ILE A 67 4.391 -5.907 27.911 1.00 0.00 C
502
+ ATOM 501 CB ILE A 67 4.708 -5.709 30.404 1.00 0.00 C
503
+ ATOM 502 O ILE A 67 3.183 -6.104 27.763 1.00 0.00 O
504
+ ATOM 503 CG1 ILE A 67 5.138 -4.777 31.543 1.00 0.00 C
505
+ ATOM 504 CG2 ILE A 67 5.485 -7.027 30.451 1.00 0.00 C
506
+ ATOM 505 CD1 ILE A 67 6.604 -4.369 31.489 1.00 0.00 C
507
+ ATOM 506 N ASN A 68 5.210 -6.334 27.124 1.00 0.00 N
508
+ ATOM 507 CA ASN A 68 4.919 -7.207 25.991 1.00 0.00 C
509
+ ATOM 508 C ASN A 68 4.000 -6.527 24.981 1.00 0.00 C
510
+ ATOM 509 CB ASN A 68 4.301 -8.521 26.471 1.00 0.00 C
511
+ ATOM 510 O ASN A 68 3.104 -7.163 24.424 1.00 0.00 O
512
+ ATOM 511 CG ASN A 68 5.283 -9.383 27.239 1.00 0.00 C
513
+ ATOM 512 ND2 ASN A 68 4.778 -10.145 28.201 1.00 0.00 N
514
+ ATOM 513 OD1 ASN A 68 6.488 -9.362 26.970 1.00 0.00 O
515
+ ATOM 514 N ILE A 69 4.171 -5.283 24.754 1.00 0.00 N
516
+ ATOM 515 CA ILE A 69 3.348 -4.504 23.836 1.00 0.00 C
517
+ ATOM 516 C ILE A 69 4.048 -4.393 22.483 1.00 0.00 C
518
+ ATOM 517 CB ILE A 69 3.046 -3.098 24.400 1.00 0.00 C
519
+ ATOM 518 O ILE A 69 5.277 -4.310 22.418 1.00 0.00 O
520
+ ATOM 519 CG1 ILE A 69 1.873 -2.460 23.648 1.00 0.00 C
521
+ ATOM 520 CG2 ILE A 69 4.292 -2.209 24.328 1.00 0.00 C
522
+ ATOM 521 CD1 ILE A 69 1.371 -1.164 24.268 1.00 0.00 C
523
+ ATOM 522 N GLU A 70 3.279 -4.474 21.352 1.00 0.00 N
524
+ ATOM 523 CA GLU A 70 3.834 -4.217 20.026 1.00 0.00 C
525
+ ATOM 524 C GLU A 70 4.120 -2.731 19.827 1.00 0.00 C
526
+ ATOM 525 CB GLU A 70 2.881 -4.719 18.938 1.00 0.00 C
527
+ ATOM 526 O GLU A 70 3.443 -1.879 20.408 1.00 0.00 O
528
+ ATOM 527 CG GLU A 70 2.693 -6.229 18.936 1.00 0.00 C
529
+ ATOM 528 CD GLU A 70 1.701 -6.709 17.889 1.00 0.00 C
530
+ ATOM 529 OE1 GLU A 70 1.160 -5.868 17.135 1.00 0.00 O
531
+ ATOM 530 OE2 GLU A 70 1.462 -7.935 17.821 1.00 0.00 O
532
+ ATOM 531 N HIS A 71 5.119 -2.443 19.004 1.00 0.00 N
533
+ ATOM 532 CA HIS A 71 5.499 -1.058 18.750 1.00 0.00 C
534
+ ATOM 533 C HIS A 71 4.298 -0.229 18.304 1.00 0.00 C
535
+ ATOM 534 CB HIS A 71 6.604 -0.991 17.694 1.00 0.00 C
536
+ ATOM 535 O HIS A 71 4.052 0.852 18.842 1.00 0.00 O
537
+ ATOM 536 CG HIS A 71 7.068 0.400 17.398 1.00 0.00 C
538
+ ATOM 537 CD2 HIS A 71 6.887 1.184 16.309 1.00 0.00 C
539
+ ATOM 538 ND1 HIS A 71 7.819 1.138 18.287 1.00 0.00 N
540
+ ATOM 539 CE1 HIS A 71 8.080 2.322 17.756 1.00 0.00 C
541
+ ATOM 540 NE2 HIS A 71 7.527 2.375 16.556 1.00 0.00 N
542
+ ATOM 541 N GLY A 72 3.514 -0.699 17.267 1.00 0.00 N
543
+ ATOM 542 CA GLY A 72 2.373 0.037 16.749 1.00 0.00 C
544
+ ATOM 543 C GLY A 72 1.313 0.312 17.800 1.00 0.00 C
545
+ ATOM 544 O GLY A 72 0.690 1.375 17.796 1.00 0.00 O
546
+ ATOM 545 N GLN A 73 1.113 -0.633 18.699 1.00 0.00 N
547
+ ATOM 546 CA GLN A 73 0.164 -0.448 19.791 1.00 0.00 C
548
+ ATOM 547 C GLN A 73 0.634 0.642 20.749 1.00 0.00 C
549
+ ATOM 548 CB GLN A 73 -0.044 -1.760 20.549 1.00 0.00 C
550
+ ATOM 549 O GLN A 73 -0.165 1.467 21.199 1.00 0.00 O
551
+ ATOM 550 CG GLN A 73 -0.828 -2.805 19.767 1.00 0.00 C
552
+ ATOM 551 CD GLN A 73 -0.923 -4.133 20.494 1.00 0.00 C
553
+ ATOM 552 NE2 GLN A 73 -2.084 -4.773 20.411 1.00 0.00 N
554
+ ATOM 553 OE1 GLN A 73 0.040 -4.580 21.126 1.00 0.00 O
555
+ ATOM 554 N ALA A 74 1.919 0.559 21.096 1.00 0.00 N
556
+ ATOM 555 CA ALA A 74 2.463 1.587 21.981 1.00 0.00 C
557
+ ATOM 556 C ALA A 74 2.280 2.978 21.380 1.00 0.00 C
558
+ ATOM 557 CB ALA A 74 3.940 1.322 22.261 1.00 0.00 C
559
+ ATOM 558 O ALA A 74 1.828 3.901 22.063 1.00 0.00 O
560
+ ATOM 559 N VAL A 75 2.601 3.176 20.060 1.00 0.00 N
561
+ ATOM 560 CA VAL A 75 2.477 4.455 19.368 1.00 0.00 C
562
+ ATOM 561 C VAL A 75 1.018 4.907 19.375 1.00 0.00 C
563
+ ATOM 562 CB VAL A 75 3.003 4.370 17.918 1.00 0.00 C
564
+ ATOM 563 O VAL A 75 0.721 6.061 19.690 1.00 0.00 O
565
+ ATOM 564 CG1 VAL A 75 2.626 5.625 17.133 1.00 0.00 C
566
+ ATOM 565 CG2 VAL A 75 4.516 4.164 17.911 1.00 0.00 C
567
+ ATOM 566 N SER A 76 0.154 3.974 19.058 1.00 0.00 N
568
+ ATOM 567 CA SER A 76 -1.267 4.300 18.988 1.00 0.00 C
569
+ ATOM 568 C SER A 76 -1.798 4.747 20.346 1.00 0.00 C
570
+ ATOM 569 CB SER A 76 -2.069 3.098 18.489 1.00 0.00 C
571
+ ATOM 570 O SER A 76 -2.536 5.730 20.437 1.00 0.00 O
572
+ ATOM 571 OG SER A 76 -1.781 2.832 17.127 1.00 0.00 O
573
+ ATOM 572 N LEU A 77 -1.389 4.036 21.398 1.00 0.00 N
574
+ ATOM 573 CA LEU A 77 -1.840 4.401 22.736 1.00 0.00 C
575
+ ATOM 574 C LEU A 77 -1.342 5.792 23.117 1.00 0.00 C
576
+ ATOM 575 CB LEU A 77 -1.357 3.375 23.765 1.00 0.00 C
577
+ ATOM 576 O LEU A 77 -2.129 6.645 23.533 1.00 0.00 O
578
+ ATOM 577 CG LEU A 77 -2.177 2.088 23.874 1.00 0.00 C
579
+ ATOM 578 CD1 LEU A 77 -1.437 1.059 24.721 1.00 0.00 C
580
+ ATOM 579 CD2 LEU A 77 -3.554 2.380 24.460 1.00 0.00 C
581
+ ATOM 580 N LEU A 78 -0.071 6.038 22.986 1.00 0.00 N
582
+ ATOM 581 CA LEU A 78 0.511 7.312 23.394 1.00 0.00 C
583
+ ATOM 582 C LEU A 78 -0.111 8.467 22.617 1.00 0.00 C
584
+ ATOM 583 CB LEU A 78 2.028 7.301 23.185 1.00 0.00 C
585
+ ATOM 584 O LEU A 78 -0.283 9.563 23.155 1.00 0.00 O
586
+ ATOM 585 CG LEU A 78 2.839 6.446 24.160 1.00 0.00 C
587
+ ATOM 586 CD1 LEU A 78 4.274 6.296 23.666 1.00 0.00 C
588
+ ATOM 587 CD2 LEU A 78 2.811 7.055 25.557 1.00 0.00 C
589
+ ATOM 588 N LYS A 79 -0.478 8.280 21.372 1.00 0.00 N
590
+ ATOM 589 CA LYS A 79 -1.080 9.327 20.550 1.00 0.00 C
591
+ ATOM 590 C LYS A 79 -2.534 9.568 20.943 1.00 0.00 C
592
+ ATOM 591 CB LYS A 79 -0.991 8.961 19.067 1.00 0.00 C
593
+ ATOM 592 O LYS A 79 -3.048 10.678 20.792 1.00 0.00 O
594
+ ATOM 593 CG LYS A 79 0.402 9.113 18.474 1.00 0.00 C
595
+ ATOM 594 CD LYS A 79 0.418 8.775 16.989 1.00 0.00 C
596
+ ATOM 595 CE LYS A 79 1.783 9.036 16.369 1.00 0.00 C
597
+ ATOM 596 NZ LYS A 79 1.813 8.674 14.920 1.00 0.00 N
598
+ ATOM 597 N THR A 80 -3.191 8.565 21.426 1.00 0.00 N
599
+ ATOM 598 CA THR A 80 -4.618 8.672 21.709 1.00 0.00 C
600
+ ATOM 599 C THR A 80 -4.856 9.417 23.021 1.00 0.00 C
601
+ ATOM 600 CB THR A 80 -5.279 7.284 21.778 1.00 0.00 C
602
+ ATOM 601 O THR A 80 -5.899 10.046 23.203 1.00 0.00 O
603
+ ATOM 602 CG2 THR A 80 -6.739 7.390 22.209 1.00 0.00 C
604
+ ATOM 603 OG1 THR A 80 -5.219 6.667 20.486 1.00 0.00 O
605
+ ATOM 604 N PHE A 81 -3.880 9.287 23.907 1.00 0.00 N
606
+ ATOM 605 CA PHE A 81 -4.079 9.979 25.174 1.00 0.00 C
607
+ ATOM 606 C PHE A 81 -4.205 11.482 24.957 1.00 0.00 C
608
+ ATOM 607 CB PHE A 81 -2.925 9.683 26.137 1.00 0.00 C
609
+ ATOM 608 O PHE A 81 -3.468 12.063 24.157 1.00 0.00 O
610
+ ATOM 609 CG PHE A 81 -2.880 8.255 26.609 1.00 0.00 C
611
+ ATOM 610 CD1 PHE A 81 -4.047 7.583 26.949 1.00 0.00 C
612
+ ATOM 611 CD2 PHE A 81 -1.668 7.584 26.713 1.00 0.00 C
613
+ ATOM 612 CE1 PHE A 81 -4.008 6.260 27.387 1.00 0.00 C
614
+ ATOM 613 CE2 PHE A 81 -1.621 6.263 27.150 1.00 0.00 C
615
+ ATOM 614 CZ PHE A 81 -2.791 5.604 27.487 1.00 0.00 C
616
+ ATOM 615 N GLN A 82 -5.145 12.051 25.690 1.00 0.00 N
617
+ ATOM 616 CA GLN A 82 -5.393 13.485 25.593 1.00 0.00 C
618
+ ATOM 617 C GLN A 82 -4.782 14.232 26.774 1.00 0.00 C
619
+ ATOM 618 CB GLN A 82 -6.895 13.765 25.515 1.00 0.00 C
620
+ ATOM 619 O GLN A 82 -4.624 13.667 27.858 1.00 0.00 O
621
+ ATOM 620 CG GLN A 82 -7.568 13.177 24.282 1.00 0.00 C
622
+ ATOM 621 CD GLN A 82 -9.023 13.587 24.155 1.00 0.00 C
623
+ ATOM 622 NE2 GLN A 82 -9.649 13.217 23.044 1.00 0.00 N
624
+ ATOM 623 OE1 GLN A 82 -9.580 14.232 25.049 1.00 0.00 O
625
+ ATOM 624 N ASN A 83 -4.313 15.329 26.500 1.00 0.00 N
626
+ ATOM 625 CA ASN A 83 -3.911 16.331 27.483 1.00 0.00 C
627
+ ATOM 626 C ASN A 83 -2.729 15.852 28.320 1.00 0.00 C
628
+ ATOM 627 CB ASN A 83 -5.090 16.698 28.388 1.00 0.00 C
629
+ ATOM 628 O ASN A 83 -1.582 15.916 27.876 1.00 0.00 O
630
+ ATOM 629 CG ASN A 83 -6.259 17.278 27.617 1.00 0.00 C
631
+ ATOM 630 ND2 ASN A 83 -7.468 16.856 27.967 1.00 0.00 N
632
+ ATOM 631 OD1 ASN A 83 -6.077 18.100 26.714 1.00 0.00 O
633
+ ATOM 632 N THR A 84 -2.972 15.138 29.453 1.00 0.00 N
634
+ ATOM 633 CA THR A 84 -1.888 14.719 30.334 1.00 0.00 C
635
+ ATOM 634 C THR A 84 -1.672 13.211 30.246 1.00 0.00 C
636
+ ATOM 635 CB THR A 84 -2.172 15.116 31.795 1.00 0.00 C
637
+ ATOM 636 O THR A 84 -2.626 12.435 30.342 1.00 0.00 O
638
+ ATOM 637 CG2 THR A 84 -1.026 14.698 32.710 1.00 0.00 C
639
+ ATOM 638 OG1 THR A 84 -2.338 16.537 31.874 1.00 0.00 O
640
+ ATOM 639 N VAL A 85 -0.411 12.875 30.071 1.00 0.00 N
641
+ ATOM 640 CA VAL A 85 -0.047 11.463 30.028 1.00 0.00 C
642
+ ATOM 641 C VAL A 85 0.843 11.120 31.221 1.00 0.00 C
643
+ ATOM 642 CB VAL A 85 0.670 11.101 28.708 1.00 0.00 C
644
+ ATOM 643 O VAL A 85 1.906 11.718 31.401 1.00 0.00 O
645
+ ATOM 644 CG1 VAL A 85 1.019 9.615 28.672 1.00 0.00 C
646
+ ATOM 645 CG2 VAL A 85 -0.198 11.478 27.509 1.00 0.00 C
647
+ ATOM 646 N GLU A 86 0.390 10.227 32.057 1.00 0.00 N
648
+ ATOM 647 CA GLU A 86 1.205 9.694 33.145 1.00 0.00 C
649
+ ATOM 648 C GLU A 86 1.997 8.470 32.692 1.00 0.00 C
650
+ ATOM 649 CB GLU A 86 0.330 9.338 34.348 1.00 0.00 C
651
+ ATOM 650 O GLU A 86 1.415 7.471 32.263 1.00 0.00 O
652
+ ATOM 651 CG GLU A 86 1.119 8.942 35.588 1.00 0.00 C
653
+ ATOM 652 CD GLU A 86 0.237 8.621 36.784 1.00 0.00 C
654
+ ATOM 653 OE1 GLU A 86 -0.070 9.541 37.577 1.00 0.00 O
655
+ ATOM 654 OE2 GLU A 86 -0.150 7.440 36.931 1.00 0.00 O
656
+ ATOM 655 N LEU A 87 3.297 8.540 32.789 1.00 0.00 N
657
+ ATOM 656 CA LEU A 87 4.179 7.439 32.419 1.00 0.00 C
658
+ ATOM 657 C LEU A 87 4.861 6.851 33.650 1.00 0.00 C
659
+ ATOM 658 CB LEU A 87 5.234 7.912 31.415 1.00 0.00 C
660
+ ATOM 659 O LEU A 87 5.246 7.586 34.563 1.00 0.00 O
661
+ ATOM 660 CG LEU A 87 4.709 8.614 30.161 1.00 0.00 C
662
+ ATOM 661 CD1 LEU A 87 5.868 9.176 29.344 1.00 0.00 C
663
+ ATOM 662 CD2 LEU A 87 3.872 7.655 29.321 1.00 0.00 C
664
+ ATOM 663 N ILE A 88 4.946 5.546 33.715 1.00 0.00 N
665
+ ATOM 664 CA ILE A 88 5.890 4.866 34.594 1.00 0.00 C
666
+ ATOM 665 C ILE A 88 7.069 4.342 33.776 1.00 0.00 C
667
+ ATOM 666 CB ILE A 88 5.215 3.709 35.363 1.00 0.00 C
668
+ ATOM 667 O ILE A 88 6.886 3.548 32.850 1.00 0.00 O
669
+ ATOM 668 CG1 ILE A 88 3.979 4.218 36.114 1.00 0.00 C
670
+ ATOM 669 CG2 ILE A 88 6.207 3.048 36.325 1.00 0.00 C
671
+ ATOM 670 CD1 ILE A 88 4.288 5.258 37.182 1.00 0.00 C
672
+ ATOM 671 N ILE A 89 8.279 4.792 34.201 1.00 0.00 N
673
+ ATOM 672 CA ILE A 89 9.463 4.435 33.427 1.00 0.00 C
674
+ ATOM 673 C ILE A 89 10.503 3.790 34.341 1.00 0.00 C
675
+ ATOM 674 CB ILE A 89 10.066 5.668 32.716 1.00 0.00 C
676
+ ATOM 675 O ILE A 89 10.469 3.979 35.560 1.00 0.00 O
677
+ ATOM 676 CG1 ILE A 89 10.541 6.700 33.746 1.00 0.00 C
678
+ ATOM 677 CG2 ILE A 89 9.049 6.286 31.751 1.00 0.00 C
679
+ ATOM 678 CD1 ILE A 89 12.038 6.663 34.014 1.00 0.00 C
680
+ ATOM 679 N VAL A 90 11.377 3.003 33.749 1.00 0.00 N
681
+ ATOM 680 CA VAL A 90 12.579 2.499 34.403 1.00 0.00 C
682
+ ATOM 681 C VAL A 90 13.812 3.194 33.829 1.00 0.00 C
683
+ ATOM 682 CB VAL A 90 12.710 0.966 34.248 1.00 0.00 C
684
+ ATOM 683 O VAL A 90 14.077 3.106 32.628 1.00 0.00 O
685
+ ATOM 684 CG1 VAL A 90 13.982 0.462 34.925 1.00 0.00 C
686
+ ATOM 685 CG2 VAL A 90 11.480 0.265 34.821 1.00 0.00 C
687
+ ATOM 686 N ARG A 91 14.482 3.871 34.727 1.00 0.00 N
688
+ ATOM 687 CA ARG A 91 15.670 4.626 34.344 1.00 0.00 C
689
+ ATOM 688 C ARG A 91 16.927 4.023 34.965 1.00 0.00 C
690
+ ATOM 689 CB ARG A 91 15.533 6.093 34.761 1.00 0.00 C
691
+ ATOM 690 O ARG A 91 16.965 3.758 36.168 1.00 0.00 O
692
+ ATOM 691 CG ARG A 91 16.742 6.947 34.416 1.00 0.00 C
693
+ ATOM 692 CD ARG A 91 16.473 8.427 34.649 1.00 0.00 C
694
+ ATOM 693 NE ARG A 91 15.445 8.936 33.747 1.00 0.00 N
695
+ ATOM 694 NH1 ARG A 91 15.457 11.079 34.610 1.00 0.00 N
696
+ ATOM 695 NH2 ARG A 91 14.047 10.542 32.884 1.00 0.00 N
697
+ ATOM 696 CZ ARG A 91 14.985 10.185 33.749 1.00 0.00 C
698
+ ATOM 697 N GLU A 92 17.828 3.769 34.121 1.00 0.00 N
699
+ ATOM 698 CA GLU A 92 19.117 3.336 34.655 1.00 0.00 C
700
+ ATOM 699 C GLU A 92 19.851 4.492 35.329 1.00 0.00 C
701
+ ATOM 700 CB GLU A 92 19.985 2.736 33.546 1.00 0.00 C
702
+ ATOM 701 O GLU A 92 19.944 5.586 34.768 1.00 0.00 O
703
+ ATOM 702 CG GLU A 92 19.471 1.406 33.014 1.00 0.00 C
704
+ ATOM 703 CD GLU A 92 20.443 0.722 32.067 1.00 0.00 C
705
+ ATOM 704 OE1 GLU A 92 21.522 1.292 31.789 1.00 0.00 O
706
+ ATOM 705 OE2 GLU A 92 20.123 -0.393 31.597 1.00 0.00 O
707
+ ATOM 706 N VAL A 93 20.241 4.289 36.514 1.00 0.00 N
708
+ ATOM 707 CA VAL A 93 20.943 5.305 37.291 1.00 0.00 C
709
+ ATOM 708 C VAL A 93 22.409 4.911 37.453 1.00 0.00 C
710
+ ATOM 709 CB VAL A 93 20.290 5.510 38.677 1.00 0.00 C
711
+ ATOM 710 O VAL A 93 22.719 3.748 37.724 1.00 0.00 O
712
+ ATOM 711 CG1 VAL A 93 20.917 6.703 39.397 1.00 0.00 C
713
+ ATOM 712 CG2 VAL A 93 18.781 5.703 38.531 1.00 0.00 C
714
+ ATOM 713 N SER A 94 23.357 5.788 36.876 1.00 0.00 N
715
+ ATOM 714 CA SER A 94 24.781 5.539 37.072 1.00 0.00 C
716
+ ATOM 715 C SER A 94 25.198 5.817 38.513 1.00 0.00 C
717
+ ATOM 716 CB SER A 94 25.612 6.398 36.118 1.00 0.00 C
718
+ ATOM 717 O SER A 94 24.672 6.731 39.151 1.00 0.00 O
719
+ ATOM 718 OG SER A 94 25.146 6.263 34.786 1.00 0.00 O
720
+ ATOM 719 N SER A 95 25.657 4.710 39.180 1.00 0.00 N
721
+ ATOM 720 CA SER A 95 26.248 4.943 40.494 1.00 0.00 C
722
+ ATOM 721 C SER A 95 27.505 5.800 40.390 1.00 0.00 C
723
+ ATOM 722 CB SER A 95 26.580 3.614 41.174 1.00 0.00 C
724
+ ATOM 723 O SER A 95 28.245 5.710 39.409 1.00 0.00 O
725
+ ATOM 724 OG SER A 95 26.649 2.566 40.224 1.00 0.00 O
726
+ ATOM 725 OXT SER A 95 27.195 6.259 41.466 1.00 0.00 O
727
+ TER 726 SER A 95
728
+ END
1mfg/1mfg_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1qi0/1qi0_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1qi0/1qi0_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1qq9/1qq9_ligand.mol2 ADDED
@@ -0,0 +1,55 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:47 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 1qq9_ligand
7
+ 20 19 1 0 0
8
+ SMALL
9
+ GAST_HUCK
10
+
11
+
12
+ @<TRIPOS>ATOM
13
+ 1 N 16.1610 15.7560 51.9030 N.4 1 MET 0.2327
14
+ 2 CA 15.0840 16.7390 51.5960 C.3 1 MET 0.0291
15
+ 3 C 13.8460 15.9300 51.3670 C.2 1 MET 0.0844
16
+ 4 O 12.7950 16.5100 51.4240 O.co2 1 MET -0.5643
17
+ 5 CB 15.4010 17.5300 50.3170 C.3 1 MET 0.0114
18
+ 6 CG 16.1830 18.8460 50.5020 C.3 1 MET 0.0001
19
+ 7 SD 17.8520 18.6530 51.0630 S.3 1 MET -0.1638
20
+ 8 CE 18.6140 17.8140 49.5560 C.3 1 MET -0.0181
21
+ 9 OXT 13.8650 14.7210 51.1540 O.co2 1 MET -0.5643
22
+ 10 H1 17.0262 16.2462 52.0679 H 1 MET 0.2010
23
+ 11 H2 16.2743 15.1273 51.1233 H 1 MET 0.2010
24
+ 12 H3 15.9111 15.2297 52.7255 H 1 MET 0.2010
25
+ 13 H4 14.9481 17.4329 52.4386 H 1 MET 0.1024
26
+ 14 H5 14.4460 17.7739 49.8287 H 1 MET 0.0347
27
+ 15 H6 15.9937 16.8781 49.6584 H 1 MET 0.0347
28
+ 16 H7 15.6450 19.4621 51.2375 H 1 MET 0.0379
29
+ 17 H8 16.2067 19.3678 49.5339 H 1 MET 0.0379
30
+ 18 H9 19.6799 17.6186 49.7450 H 1 MET 0.0340
31
+ 19 H10 18.5114 18.4708 48.6796 H 1 MET 0.0340
32
+ 20 H11 18.0953 16.8631 49.3643 H 1 MET 0.0340
33
+ @<TRIPOS>BOND
34
+ 1 2 3 1
35
+ 2 2 5 1
36
+ 3 2 1 1
37
+ 4 5 6 1
38
+ 5 6 7 1
39
+ 6 7 8 1
40
+ 7 3 9 ar
41
+ 8 3 4 ar
42
+ 9 1 10 1
43
+ 10 1 11 1
44
+ 11 1 12 1
45
+ 12 2 13 1
46
+ 13 5 14 1
47
+ 14 5 15 1
48
+ 15 6 16 1
49
+ 16 6 17 1
50
+ 17 8 18 1
51
+ 18 8 19 1
52
+ 19 8 20 1
53
+ @<TRIPOS>SUBSTRUCTURE
54
+ 1 MET 1
55
+
1qq9/1qq9_ligand.sdf ADDED
@@ -0,0 +1,47 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ 1qq9_ligand
2
+ -I-interpret-
3
+
4
+ 21 20 0 0 0 0 0 0 0 0999 V2000
5
+ 16.1610 15.7560 51.9030 N 0 3 0 0 0
6
+ 15.0840 16.7390 51.5960 C 0 0 0 0 0
7
+ 13.8460 15.9300 51.3670 C 0 0 0 0 0
8
+ 12.7950 16.5100 51.4240 O 0 0 0 0 0
9
+ 15.4010 17.5300 50.3170 C 0 0 0 0 0
10
+ 16.1830 18.8460 50.5020 C 0 0 0 0 0
11
+ 17.8520 18.6530 51.0630 S 0 0 0 0 0
12
+ 18.6140 17.8140 49.5560 C 0 0 0 0 0
13
+ 13.8650 14.7210 51.1540 O 0 0 0 0 0
14
+ 15.9231 15.2477 52.7547 H 0 0 0 0 0
15
+ 16.2514 15.0993 51.1278 H 0 0 0 0 0
16
+ 17.0432 16.2505 52.0359 H 0 0 0 0 0
17
+ 14.9776 17.4556 52.4104 H 0 0 0 0 0
18
+ 14.4390 17.8072 49.8859 H 0 0 0 0 0
19
+ 16.0350 16.8835 49.7102 H 0 0 0 0 0
20
+ 15.6584 19.4188 51.2667 H 0 0 0 0 0
21
+ 16.2334 19.3223 49.5228 H 0 0 0 0 0
22
+ 18.0992 16.8720 49.3671 H 0 0 0 0 0
23
+ 18.5117 18.4658 48.6884 H 0 0 0 0 0
24
+ 19.6701 17.6210 49.7445 H 0 0 0 0 0
25
+ 14.7745 14.4141 51.1392 H 0 0 0 0 0
26
+ 2 3 1 0 0 0
27
+ 2 5 1 0 0 0
28
+ 2 1 1 0 0 0
29
+ 5 6 1 0 0 0
30
+ 6 7 1 0 0 0
31
+ 7 8 1 0 0 0
32
+ 3 9 1 0 0 0
33
+ 3 4 2 0 0 0
34
+ 1 10 1 0 0 0
35
+ 1 11 1 0 0 0
36
+ 1 12 1 0 0 0
37
+ 2 13 1 0 0 0
38
+ 5 14 1 0 0 0
39
+ 5 15 1 0 0 0
40
+ 6 16 1 0 0 0
41
+ 6 17 1 0 0 0
42
+ 8 18 1 0 0 0
43
+ 8 19 1 0 0 0
44
+ 8 20 1 0 0 0
45
+ 9 21 1 0 0 0
46
+ M END
47
+ $$$$
1qq9/1qq9_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
1qq9/1qq9_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2ito/2ito_ligand.mol2 ADDED
@@ -0,0 +1,131 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:55 2018
3
+ ###
4
+
5
+ @<TRIPOS>MOLECULE
6
+ 2ito_ligand
7
+ 56 59 1 0 0
8
+ SMALL
9
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10
+
11
+
12
+ @<TRIPOS>ATOM
13
+ 1 CAO -45.4800 -2.7160 -15.7450 C.3 1 IRE -0.0078
14
+ 2 CAL -44.4060 -3.5920 -15.0750 C.3 1 IRE 0.0878
15
+ 3 OAU -43.4570 -4.0220 -16.1080 O.3 1 IRE -0.3693
16
+ 4 CAM -44.0750 -4.8660 -17.1340 C.3 1 IRE 0.0878
17
+ 5 CAP -45.2550 -4.1730 -17.8460 C.3 1 IRE -0.0078
18
+ 6 NBE -46.1310 -3.3930 -16.9140 N.4 1 IRE 0.2385
19
+ 7 CAN -46.7510 -2.3190 -17.7170 C.3 1 IRE -0.0293
20
+ 8 CAJ -48.2760 -2.4690 -17.8210 C.3 1 IRE 0.0151
21
+ 9 CAK -48.8310 -1.4830 -18.8750 C.3 1 IRE 0.0741
22
+ 10 OAV -49.1940 -0.1540 -18.3610 O.3 1 IRE -0.3164
23
+ 11 CBA -50.2350 0.4780 -19.0000 C.ar 1 IRE 0.1323
24
+ 12 CAZ -51.1310 1.2010 -18.2160 C.ar 1 IRE 0.1323
25
+ 13 CAH -52.1950 1.8590 -18.8390 C.ar 1 IRE -0.0168
26
+ 14 OAT -50.9480 1.2280 -16.8510 O.3 1 IRE -0.3162
27
+ 15 CAA -51.1650 2.4870 -16.1950 C.3 1 IRE 0.0601
28
+ 16 CAI -50.3990 0.4370 -20.3940 C.ar 1 IRE -0.0172
29
+ 17 C5 -51.4580 1.1010 -21.0030 C.ar 1 IRE 0.0392
30
+ 18 C4 -52.3520 1.8070 -20.2220 C.ar 1 IRE 0.0265
31
+ 19 N3 -53.3700 2.4460 -20.8190 N.ar 1 IRE -0.3053
32
+ 20 C2 -53.5590 2.4110 -22.1310 C.ar 1 IRE 0.0526
33
+ 21 N1 -52.7310 1.7450 -22.9050 N.ar 1 IRE -0.2609
34
+ 22 C6 -51.6810 1.0850 -22.3780 C.ar 1 IRE 0.1500
35
+ 23 NAS -50.8760 0.4060 -23.1830 N.pl3 1 IRE -0.2507
36
+ 24 CAY -50.9780 0.4720 -24.5090 C.ar 1 IRE 0.0646
37
+ 25 CAG -50.9250 1.7140 -25.1330 C.ar 1 IRE -0.0246
38
+ 26 CAX -51.0070 1.8060 -26.5120 C.ar 1 IRE 0.0649
39
+ 27 CL -50.9430 3.3600 -27.2400 Cl 1 IRE -0.0749
40
+ 28 CAW -51.1410 0.6670 -27.2930 C.ar 1 IRE 0.1348
41
+ 29 FAB -51.2180 0.7930 -28.6340 F 1 IRE -0.1917
42
+ 30 CAD -51.1890 -0.5850 -26.6740 C.ar 1 IRE -0.0363
43
+ 31 CAE -51.1030 -0.6820 -25.2800 C.ar 1 IRE -0.0383
44
+ 32 H1 -45.0080 -1.7861 -16.0948 H 1 IRE 0.0837
45
+ 33 H2 -46.2540 -2.4770 -15.0008 H 1 IRE 0.0837
46
+ 34 H3 -44.8777 -4.4718 -14.6130 H 1 IRE 0.0613
47
+ 35 H4 -43.8792 -3.0110 -14.3037 H 1 IRE 0.0613
48
+ 36 H5 -44.4436 -5.7862 -16.6572 H 1 IRE 0.0613
49
+ 37 H6 -43.3128 -5.1219 -17.8847 H 1 IRE 0.0613
50
+ 38 H7 -45.8669 -4.9429 -18.3386 H 1 IRE 0.0837
51
+ 39 H8 -44.8511 -3.4854 -18.6036 H 1 IRE 0.0837
52
+ 40 H9 -46.8386 -4.0167 -16.5585 H 1 IRE 0.2035
53
+ 41 H10 -46.3240 -2.3447 -18.7304 H 1 IRE 0.0815
54
+ 42 H11 -46.5229 -1.3508 -17.2474 H 1 IRE 0.0815
55
+ 43 H12 -48.7314 -2.2523 -16.8434 H 1 IRE 0.0343
56
+ 44 H13 -48.5217 -3.4987 -18.1198 H 1 IRE 0.0343
57
+ 45 H14 -49.7306 -1.9325 -19.3207 H 1 IRE 0.0613
58
+ 46 H15 -48.0643 -1.3491 -19.6524 H 1 IRE 0.0613
59
+ 47 H16 -52.9059 2.4159 -18.2393 H 1 IRE 0.0496
60
+ 48 H17 -50.9872 2.3734 -15.1154 H 1 IRE 0.0579
61
+ 49 H18 -52.2015 2.8144 -16.3634 H 1 IRE 0.0579
62
+ 50 H19 -50.4724 3.2376 -16.6036 H 1 IRE 0.0579
63
+ 51 H20 -49.6930 -0.1178 -21.0013 H 1 IRE 0.0546
64
+ 52 H21 -54.4015 2.9348 -22.5680 H 1 IRE 0.1017
65
+ 53 H22 -50.1472 -0.1927 -22.7690 H 1 IRE 0.2204
66
+ 54 H23 -50.8191 2.6134 -24.5373 H 1 IRE 0.0538
67
+ 55 H24 -51.2929 -1.4819 -27.2738 H 1 IRE 0.0577
68
+ 56 H25 -51.1336 -1.6539 -24.8009 H 1 IRE 0.0535
69
+ @<TRIPOS>BOND
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71
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90
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94
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95
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96
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97
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98
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99
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100
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101
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102
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103
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104
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105
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106
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107
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112
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113
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114
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115
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116
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117
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118
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119
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120
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122
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123
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124
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125
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126
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2uuo/2uuo_ligand.sdf ADDED
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+ $$$$
2uuo/2uuo_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2vo7/2vo7_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2vo7/2vo7_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2vpo/2vpo_ligand.mol2 ADDED
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1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:57 2018
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+ ###
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5
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2vpo/2vpo_ligand.sdf ADDED
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1
+ 2vpo_ligand
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4
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+ M END
48
+ $$$$
2vpo/2vpo_protein_esmfold_aligned_tr_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2vpo/2vpo_protein_processed_fix.pdb ADDED
The diff for this file is too large to render. See raw diff
 
2z94/2z94_ligand.mol2 ADDED
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1
+ ###
2
+ ### Created by X-TOOL on Mon Sep 10 21:12:55 2018
3
+ ###
4
+
5
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11
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12
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2z94/2z94_ligand.sdf ADDED
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1
+ 2z94_ligand
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+ 17.3872 -2.1410 23.0403 H 0 0 0 0 0
22
+ 1 2 4 0 0 0
23
+ 1 6 4 0 0 0
24
+ 2 3 4 0 0 0
25
+ 2 8 1 0 0 0
26
+ 3 4 4 0 0 0
27
+ 3 9 1 0 0 0
28
+ 4 5 4 0 0 0
29
+ 5 6 4 0 0 0
30
+ 5 7 1 0 0 0
31
+ 1 10 1 0 0 0
32
+ 4 11 1 0 0 0
33
+ 6 12 1 0 0 0
34
+ 7 13 1 0 0 0
35
+ 7 14 1 0 0 0
36
+ 7 15 1 0 0 0
37
+ 8 16 1 0 0 0
38
+ 9 17 1 0 0 0
39
+ M END
40
+ $$$$
2z94/2z94_protein_esmfold_aligned_tr_fix.pdb ADDED
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