Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
575206 | 2m0h RC | 18809 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ASP 59 HT1 ASP 59 0.533 -11.802 4.963
2 H2 ASP 59 HT2 ASP 59 0.095 -10.417 5.844
3 H3 ASP 59 HT3 ASP 59 0.949 -10.263 4.384
4 HA ASP 59 HA ASP 59 -1.173 -11.629 3.537
5 HB2 ASP 59 HB3 ASP 59 -1.996 -9.913 5.892
6 HB3 ASP 59 HB2 ASP 59 -3.130 -10.391 4.612
7 H THR 60 HN THR 60 0.575 -8.807 4.152
8 HA THR 60 HA THR 60 -0.966 -7.051 2.430
9 HB THR 60 HB THR 60 0.819 -5.434 2.867
10 HG1 THR 60 HG1 THR 60 2.112 -7.140 4.616
11 HG21 THR 60 HG21 THR 60 0.692 -5.504 5.421
12 HG22 THR 60 HG22 THR 60 -0.216 -7.005 5.231
13 HG23 THR 60 HG23 THR 60 -0.851 -5.499 4.566
14 H LEU 61 HN LEU 61 1.381 -9.475 2.049
15 HA LEU 61 HA LEU 61 2.844 -8.462 -0.153
16 HB2 LEU 61 HB3 LEU 61 2.224 -11.265 0.783
17 HB3 LEU 61 HB2 LEU 61 3.188 -10.960 -0.659
18 HG LEU 61 HG LEU 61 4.566 -11.305 1.402
19 HD11 LEU 61 HD11 LEU 61 5.003 -8.432 0.648
20 HD12 LEU 61 HD12 LEU 61 5.111 -9.652 -0.622
21 HD13 LEU 61 HD13 LEU 61 6.162 -9.753 0.787
22 HD21 LEU 61 HD21 LEU 61 2.821 -10.117 2.872
23 HD22 LEU 61 HD22 LEU 61 3.552 -8.611 2.315
24 HD23 LEU 61 HD23 LEU 61 4.516 -9.778 3.216
25 H LEU 62 HN LEU 62 -0.163 -10.319 0.094
26 HA LEU 62 HA LEU 62 -0.551 -10.657 -2.692
27 HB2 LEU 62 HB3 LEU 62 -1.780 -11.978 -1.018
28 HB3 LEU 62 HB2 LEU 62 -2.598 -10.516 -0.469
29 HG LEU 62 HG LEU 62 -3.591 -10.227 -2.721
30 HD11 LEU 62 HD11 LEU 62 -3.410 -12.426 -4.177
31 HD12 LEU 62 HD12 LEU 62 -1.897 -12.652 -3.298
32 HD13 LEU 62 HD13 LEU 62 -2.144 -11.204 -4.276
33 HD21 LEU 62 HD21 LEU 62 -5.008 -12.361 -2.641
34 HD22 LEU 62 HD22 LEU 62 -4.953 -11.404 -1.162
35 HD23 LEU 62 HD23 LEU 62 -3.983 -12.868 -1.300
36 H GLY 63 HN GLY 63 -1.635 -8.211 -0.365
37 HA2 GLY 63 HA3 GLY 63 -3.215 -6.675 -2.112
38 HA3 GLY 63 HA2 GLY 63 -2.389 -6.056 -0.661
39 H ARG 64 HN ARG 64 0.207 -7.053 -1.700
40 HA ARG 64 HA ARG 64 0.935 -4.684 -3.168
41 HB2 ARG 64 HB3 ARG 64 2.349 -5.978 -1.410
42 HB3 ARG 64 HB2 ARG 64 2.740 -7.061 -2.743
43 HG2 ARG 64 HG3 ARG 64 3.645 -5.203 -4.043
44 HG3 ARG 64 HG2 ARG 64 3.156 -4.057 -2.797
45 HD2 ARG 64 HD3 ARG 64 5.119 -6.327 -2.389
46 HD3 ARG 64 HD2 ARG 64 5.564 -4.641 -2.636
47 HE ARG 64 HE ARG 64 3.791 -4.682 -0.490
48 HH11 ARG 64 HH21 ARG 64 6.870 -6.007 -1.347
49 HH12 ARG 64 HH22 ARG 64 7.470 -6.025 0.278
50 HH21 ARG 64 HH11 ARG 64 4.570 -4.703 1.643
51 HH22 ARG 64 HH12 ARG 64 6.167 -5.287 1.971
52 H MET 65 HN MET 65 -0.971 -6.503 -4.431
53 HA MET 65 HA MET 65 0.370 -6.751 -7.012
54 HB2 MET 65 HB3 MET 65 0.641 -8.954 -5.684
55 HB3 MET 65 HB2 MET 65 -1.091 -9.165 -5.939
56 HG2 MET 65 HG3 MET 65 0.038 -10.311 -7.735
57 HG3 MET 65 HG2 MET 65 -0.672 -8.832 -8.417
58 HE1 MET 65 HE1 MET 65 1.252 -10.305 -9.985
59 HE2 MET 65 HE2 MET 65 2.575 -9.237 -10.451
60 HE3 MET 65 HE3 MET 65 0.914 -8.657 -10.536
61 H LEU 66 HN LEU 66 -2.592 -7.356 -5.136
62 HA LEU 66 HA LEU 66 -4.179 -6.140 -7.332
63 HB2 LEU 66 HB3 LEU 66 -4.966 -8.536 -5.652
64 HB3 LEU 66 HB2 LEU 66 -5.968 -7.755 -6.872
65 HG LEU 66 HG LEU 66 -3.264 -9.006 -7.441
66 HD11 LEU 66 HD11 LEU 66 -4.638 -10.803 -8.539
67 HD12 LEU 66 HD12 LEU 66 -6.075 -10.084 -7.811
68 HD13 LEU 66 HD13 LEU 66 -4.808 -10.757 -6.785
69 HD21 LEU 66 HD21 LEU 66 -5.409 -7.709 -9.129
70 HD22 LEU 66 HD22 LEU 66 -4.350 -8.931 -9.830
71 HD23 LEU 66 HD23 LEU 66 -3.666 -7.451 -9.166
72 HA PRO 67 HA PRO 67 -4.937 -4.321 -3.091
73 HB2 PRO 67 HB3 PRO 67 -4.056 -1.782 -3.554
74 HB3 PRO 67 HB2 PRO 67 -2.954 -3.103 -3.063
75 HG2 PRO 67 HG3 PRO 67 -3.491 -2.002 -5.804
76 HG3 PRO 67 HG2 PRO 67 -1.932 -2.423 -5.038
77 HD2 PRO 67 HD3 PRO 67 -3.213 -4.093 -6.797
78 HD3 PRO 67 HD2 PRO 67 -2.188 -4.696 -5.475
79 H GLN 68 HN GLN 68 -5.608 -3.385 -6.361
80 HA GLN 68 HA GLN 68 -8.006 -1.865 -5.524
81 HB2 GLN 68 HB3 GLN 68 -8.033 -0.976 -7.818
82 HB3 GLN 68 HB2 GLN 68 -6.505 -0.616 -6.990
83 HG2 GLN 68 HG3 GLN 68 -5.440 -2.531 -8.132
84 HG3 GLN 68 HG2 GLN 68 -6.955 -2.893 -8.953
85 HE21 GLN 68 HE21 GLN 68 -4.035 -1.445 -9.495
86 HE22 GLN 68 HE22 GLN 68 -4.507 -0.281 -10.661
87 H LEU 69 HN LEU 69 -8.065 -4.622 -5.267
88 HA LEU 69 HA LEU 69 -10.391 -5.232 -6.786
89 HB2 LEU 69 HB3 LEU 69 -8.276 -5.625 -8.344
90 HB3 LEU 69 HB2 LEU 69 -8.149 -7.127 -7.440
91 HG LEU 69 HG LEU 69 -10.676 -6.211 -8.854
92 HD11 LEU 69 HD11 LEU 69 -8.663 -8.300 -9.731
93 HD12 LEU 69 HD12 LEU 69 -8.762 -6.675 -10.408
94 HD13 LEU 69 HD13 LEU 69 -10.111 -7.795 -10.601
95 HD21 LEU 69 HD21 LEU 69 -9.822 -8.759 -7.456
96 HD22 LEU 69 HD22 LEU 69 -11.178 -8.710 -8.581
97 HD23 LEU 69 HD23 LEU 69 -11.223 -7.748 -7.105
98 H VAL 70 HN VAL 70 -7.703 -7.257 -5.492
99 HA VAL 70 HA VAL 70 -9.507 -8.992 -4.141
100 HB VAL 70 HB VAL 70 -6.548 -8.478 -3.762
101 HG11 VAL 70 HG11 VAL 70 -8.431 -10.454 -2.453
102 HG12 VAL 70 HG12 VAL 70 -7.289 -9.360 -1.673
103 HG13 VAL 70 HG13 VAL 70 -6.699 -10.757 -2.574
104 HG21 VAL 70 HG21 VAL 70 -8.062 -10.796 -5.011
105 HG22 VAL 70 HG22 VAL 70 -6.313 -10.568 -4.996
106 HG23 VAL 70 HG23 VAL 70 -7.337 -9.476 -5.929
107 H CYS 71 HN CYS 71 -7.412 -6.376 -2.986
108 HA CYS 71 HA CYS 71 -8.322 -6.441 -0.306
109 HB2 CYS 71 HB3 CYS 71 -6.929 -4.306 -1.921
110 HB3 CYS 71 HB2 CYS 71 -7.294 -4.145 -0.192
111 HG CYS 71 HG CYS 71 -5.783 -6.724 -0.825
112 H ARG 72 HN ARG 72 -9.268 -4.643 -3.189
113 HA ARG 72 HA ARG 72 -10.965 -2.799 -1.982
114 HB2 ARG 72 HB3 ARG 72 -10.233 -2.671 -4.336
115 HB3 ARG 72 HB2 ARG 72 -11.251 -4.059 -4.712
116 HG2 ARG 72 HG3 ARG 72 -12.445 -2.033 -5.323
117 HG3 ARG 72 HG2 ARG 72 -13.249 -2.752 -3.934
118 HD2 ARG 72 HD3 ARG 72 -11.110 -0.685 -3.473
119 HD3 ARG 72 HD2 ARG 72 -12.717 -0.163 -3.963
120 HE ARG 72 HE ARG 72 -12.998 -1.969 -1.822
121 HH11 ARG 72 HH21 ARG 72 -11.734 1.169 -2.552
122 HH12 ARG 72 HH22 ARG 72 -11.992 1.796 -0.958
123 HH21 ARG 72 HH11 ARG 72 -13.336 -1.154 0.273
124 HH22 ARG 72 HH12 ARG 72 -12.898 0.481 0.641
125 H LEU 73 HN LEU 73 -11.754 -5.993 -3.353
126 HA LEU 73 HA LEU 73 -14.505 -5.877 -2.618
127 HB2 LEU 73 HB3 LEU 73 -12.638 -7.964 -3.658
128 HB3 LEU 73 HB2 LEU 73 -14.112 -8.539 -2.853
129 HG LEU 73 HG LEU 73 -15.459 -7.076 -4.364
130 HD11 LEU 73 HD11 LEU 73 -13.647 -5.420 -4.837
131 HD12 LEU 73 HD12 LEU 73 -14.399 -6.042 -6.305
132 HD13 LEU 73 HD13 LEU 73 -12.822 -6.643 -5.798
133 HD21 LEU 73 HD21 LEU 73 -15.244 -8.495 -6.308
134 HD22 LEU 73 HD22 LEU 73 -14.923 -9.474 -4.877
135 HD23 LEU 73 HD23 LEU 73 -13.584 -8.910 -5.877
136 H VAL 74 HN VAL 74 -11.632 -7.280 -1.121
137 HA VAL 74 HA VAL 74 -12.929 -8.536 1.042
138 HB VAL 74 HB VAL 74 -10.116 -7.515 0.649
139 HG11 VAL 74 HG11 VAL 74 -10.401 -7.515 3.031
140 HG12 VAL 74 HG12 VAL 74 -9.644 -9.064 2.656
141 HG13 VAL 74 HG13 VAL 74 -11.374 -8.984 2.986
142 HG21 VAL 74 HG21 VAL 74 -11.110 -9.491 -0.678
143 HG22 VAL 74 HG22 VAL 74 -11.134 -10.359 0.856
144 HG23 VAL 74 HG23 VAL 74 -9.603 -9.796 0.187
145 H LEU 75 HN LEU 75 -11.403 -5.300 0.827
146 HA LEU 75 HA LEU 75 -11.926 -4.586 3.510
147 HB2 LEU 75 HB3 LEU 75 -11.531 -2.914 1.022
148 HB3 LEU 75 HB2 LEU 75 -11.722 -2.208 2.637
149 HG LEU 75 HG LEU 75 -9.608 -4.281 1.947
150 HD11 LEU 75 HD11 LEU 75 -9.491 -1.256 1.952
151 HD12 LEU 75 HD12 LEU 75 -9.112 -2.344 0.618
152 HD13 LEU 75 HD13 LEU 75 -8.052 -2.273 2.026
153 HD21 LEU 75 HD21 LEU 75 -8.590 -3.037 4.063
154 HD22 LEU 75 HD22 LEU 75 -9.778 -4.314 4.278
155 HD23 LEU 75 HD23 LEU 75 -10.276 -2.627 4.379
156 H ARG 76 HN ARG 76 -13.762 -4.132 0.524
157 HA ARG 76 HA ARG 76 -15.896 -2.686 1.692
158 HB2 ARG 76 HB3 ARG 76 -15.707 -4.369 -0.804
159 HB3 ARG 76 HB2 ARG 76 -17.177 -3.505 -0.348
160 HG2 ARG 76 HG3 ARG 76 -15.992 -1.379 -0.375
161 HG3 ARG 76 HG2 ARG 76 -14.463 -2.195 -0.684
162 HD2 ARG 76 HD3 ARG 76 -15.308 -3.010 -2.838
163 HD3 ARG 76 HD2 ARG 76 -16.871 -2.262 -2.522
164 HE ARG 76 HE ARG 76 -14.931 -0.253 -2.330
165 HH11 ARG 76 HH21 ARG 76 -16.245 -2.451 -4.657
166 HH12 ARG 76 HH22 ARG 76 -15.952 -1.409 -6.010
167 HH21 ARG 76 HH11 ARG 76 -14.544 1.118 -4.099
168 HH22 ARG 76 HH12 ARG 76 -14.990 0.611 -5.693
169 H CYS 77 HN CYS 77 -15.304 -6.126 1.214
170 HA CYS 77 HA CYS 77 -17.827 -7.096 1.978
171 HB2 CYS 77 HB3 CYS 77 -16.117 -8.490 0.886
172 HB3 CYS 77 HB2 CYS 77 -15.104 -8.380 2.343
173 HG CYS 77 HG CYS 77 -17.787 -9.415 3.161
174 H SER 78 HN SER 78 -14.884 -6.531 3.906
175 HA SER 78 HA SER 78 -15.923 -7.396 6.376
176 HB2 SER 78 HB3 SER 78 -13.524 -7.041 6.011
177 HB3 SER 78 HB2 SER 78 -13.804 -5.300 5.812
178 HG SER 78 HG SER 78 -13.176 -6.227 7.990
179 H MET 79 HN MET 79 -15.860 -4.189 4.854
180 HA MET 79 HA MET 79 -18.176 -3.382 6.433
181 HB2 MET 79 HB3 MET 79 -16.273 -2.770 7.882
182 HB3 MET 79 HB2 MET 79 -15.569 -1.835 6.546
183 HG2 MET 79 HG3 MET 79 -17.501 -0.347 6.519
184 HG3 MET 79 HG2 MET 79 -18.315 -1.325 7.739
185 HE1 MET 79 HE1 MET 79 -14.784 1.519 8.172
186 HE2 MET 79 HE2 MET 79 -15.537 0.885 6.711
187 HE3 MET 79 HE3 MET 79 -14.393 -0.110 7.606
188 H ASP 80 HN ASP 80 -19.438 -1.935 5.368
189 HA ASP 80 HA ASP 80 -18.682 -1.279 2.620
190 HB2 ASP 80 HB3 ASP 80 -21.009 -0.633 2.352
191 HB3 ASP 80 HB2 ASP 80 -20.925 -2.211 3.133
Start of MODEL 2
1 H1 ASP 59 HT1 ASP 59 -5.490 -6.974 5.923
2 H2 ASP 59 HT2 ASP 59 -5.356 -6.132 4.453
3 H3 ASP 59 HT3 ASP 59 -5.064 -5.333 5.923
4 HA ASP 59 HA ASP 59 -3.011 -5.898 4.698
5 HB2 ASP 59 HB3 ASP 59 -2.863 -5.552 7.081
6 HB3 ASP 59 HB2 ASP 59 -3.537 -7.162 7.406
7 H THR 60 HN THR 60 -2.485 -7.264 3.111
8 HA THR 60 HA THR 60 -2.432 -10.127 3.603
9 HB THR 60 HB THR 60 -4.752 -9.708 2.787
10 HG1 THR 60 HG1 THR 60 -3.343 -11.594 2.242
11 HG21 THR 60 HG21 THR 60 -3.543 -9.021 0.119
12 HG22 THR 60 HG22 THR 60 -3.907 -7.750 1.286
13 HG23 THR 60 HG23 THR 60 -5.197 -8.783 0.676
14 H LEU 61 HN LEU 61 -1.324 -11.298 1.877
15 HA LEU 61 HA LEU 61 1.008 -9.964 1.022
16 HB2 LEU 61 HB3 LEU 61 0.931 -12.387 1.423
17 HB3 LEU 61 HB2 LEU 61 -0.175 -12.586 0.068
18 HG LEU 61 HG LEU 61 1.558 -11.721 -1.476
19 HD11 LEU 61 HD11 LEU 61 3.951 -11.676 -0.380
20 HD12 LEU 61 HD12 LEU 61 3.063 -11.362 1.111
21 HD13 LEU 61 HD13 LEU 61 2.918 -10.254 -0.255
22 HD21 LEU 61 HD21 LEU 61 1.413 -14.140 -1.041
23 HD22 LEU 61 HD22 LEU 61 2.504 -13.966 0.335
24 HD23 LEU 61 HD23 LEU 61 3.090 -13.659 -1.301
25 H LEU 62 HN LEU 62 -1.958 -10.880 -0.691
26 HA LEU 62 HA LEU 62 -1.103 -10.029 -3.265
27 HB2 LEU 62 HB3 LEU 62 -3.910 -10.230 -2.156
28 HB3 LEU 62 HB2 LEU 62 -3.479 -10.101 -3.860
29 HG LEU 62 HG LEU 62 -2.645 -12.355 -2.007
30 HD11 LEU 62 HD11 LEU 62 -4.179 -13.699 -3.481
31 HD12 LEU 62 HD12 LEU 62 -4.727 -12.187 -4.201
32 HD13 LEU 62 HD13 LEU 62 -5.012 -12.501 -2.490
33 HD21 LEU 62 HD21 LEU 62 -0.950 -12.304 -3.613
34 HD22 LEU 62 HD22 LEU 62 -2.009 -11.660 -4.868
35 HD23 LEU 62 HD23 LEU 62 -2.118 -13.358 -4.404
36 H GLY 63 HN GLY 63 -1.787 -8.303 -0.485
37 HA2 GLY 63 HA3 GLY 63 -3.110 -6.014 -1.445
38 HA3 GLY 63 HA2 GLY 63 -2.008 -6.050 -0.052
39 H ARG 64 HN ARG 64 0.003 -7.267 -2.051
40 HA ARG 64 HA ARG 64 0.928 -4.698 -3.188
41 HB2 ARG 64 HB3 ARG 64 2.308 -5.932 -1.359
42 HB3 ARG 64 HB2 ARG 64 2.706 -7.073 -2.641
43 HG2 ARG 64 HG3 ARG 64 3.587 -5.225 -4.021
44 HG3 ARG 64 HG2 ARG 64 3.177 -4.076 -2.748
45 HD2 ARG 64 HD3 ARG 64 4.676 -5.318 -1.192
46 HD3 ARG 64 HD2 ARG 64 5.139 -6.376 -2.523
47 HE ARG 64 HE ARG 64 5.570 -3.711 -3.325
48 HH11 ARG 64 HH21 ARG 64 6.710 -6.049 -1.042
49 HH12 ARG 64 HH22 ARG 64 8.319 -5.407 -0.980
50 HH21 ARG 64 HH11 ARG 64 7.677 -2.865 -3.249
51 HH22 ARG 64 HH12 ARG 64 8.866 -3.605 -2.230
52 H MET 65 HN MET 65 -0.981 -6.456 -4.425
53 HA MET 65 HA MET 65 0.384 -6.851 -6.955
54 HB2 MET 65 HB3 MET 65 0.689 -9.007 -5.677
55 HB3 MET 65 HB2 MET 65 -1.067 -9.185 -5.698
56 HG2 MET 65 HG3 MET 65 -1.048 -9.089 -8.170
57 HG3 MET 65 HG2 MET 65 0.719 -8.936 -8.142
58 HE1 MET 65 HE1 MET 65 2.273 -10.415 -7.250
59 HE2 MET 65 HE2 MET 65 2.137 -12.164 -7.118
60 HE3 MET 65 HE3 MET 65 1.632 -11.146 -5.773
61 H LEU 66 HN LEU 66 -2.597 -7.415 -5.108
62 HA LEU 66 HA LEU 66 -4.165 -6.212 -7.324
63 HB2 LEU 66 HB3 LEU 66 -4.956 -8.597 -5.632
64 HB3 LEU 66 HB2 LEU 66 -5.956 -7.826 -6.857
65 HG LEU 66 HG LEU 66 -3.254 -9.085 -7.404
66 HD11 LEU 66 HD11 LEU 66 -6.071 -10.141 -7.733
67 HD12 LEU 66 HD12 LEU 66 -4.758 -10.852 -6.794
68 HD13 LEU 66 HD13 LEU 66 -4.679 -10.845 -8.556
69 HD21 LEU 66 HD21 LEU 66 -4.326 -9.003 -9.806
70 HD22 LEU 66 HD22 LEU 66 -3.617 -7.536 -9.141
71 HD23 LEU 66 HD23 LEU 66 -5.365 -7.759 -9.110
72 HA PRO 67 HA PRO 67 -4.960 -4.362 -3.087
73 HB2 PRO 67 HB3 PRO 67 -4.082 -1.822 -3.585
74 HB3 PRO 67 HB2 PRO 67 -2.990 -3.131 -3.041
75 HG2 PRO 67 HG3 PRO 67 -3.470 -2.091 -5.818
76 HG3 PRO 67 HG2 PRO 67 -1.927 -2.490 -5.008
77 HD2 PRO 67 HD3 PRO 67 -3.146 -4.202 -6.757
78 HD3 PRO 67 HD2 PRO 67 -2.174 -4.776 -5.384
79 H GLN 68 HN GLN 68 -5.628 -3.498 -6.378
80 HA GLN 68 HA GLN 68 -8.006 -1.927 -5.573
81 HB2 GLN 68 HB3 GLN 68 -8.046 -1.113 -7.886
82 HB3 GLN 68 HB2 GLN 68 -6.493 -0.765 -7.102
83 HG2 GLN 68 HG3 GLN 68 -5.508 -2.754 -8.199
84 HG3 GLN 68 HG2 GLN 68 -7.048 -3.086 -8.987
85 HE21 GLN 68 HE21 GLN 68 -4.089 -1.752 -9.612
86 HE22 GLN 68 HE22 GLN 68 -4.539 -0.608 -10.805
87 H LEU 69 HN LEU 69 -8.059 -4.713 -5.258
88 HA LEU 69 HA LEU 69 -10.447 -5.319 -6.681
89 HB2 LEU 69 HB3 LEU 69 -8.884 -5.744 -8.519
90 HB3 LEU 69 HB2 LEU 69 -7.954 -6.831 -7.495
91 HG LEU 69 HG LEU 69 -9.916 -8.324 -7.288
92 HD11 LEU 69 HD11 LEU 69 -11.206 -6.129 -8.905
93 HD12 LEU 69 HD12 LEU 69 -11.833 -6.986 -7.497
94 HD13 LEU 69 HD13 LEU 69 -11.784 -7.787 -9.064
95 HD21 LEU 69 HD21 LEU 69 -8.259 -8.592 -9.143
96 HD22 LEU 69 HD22 LEU 69 -9.309 -7.621 -10.176
97 HD23 LEU 69 HD23 LEU 69 -9.866 -9.180 -9.569
98 H VAL 70 HN VAL 70 -7.691 -7.281 -5.437
99 HA VAL 70 HA VAL 70 -9.408 -9.058 -4.030
100 HB VAL 70 HB VAL 70 -6.463 -8.429 -3.715
101 HG11 VAL 70 HG11 VAL 70 -6.489 -10.682 -2.479
102 HG12 VAL 70 HG12 VAL 70 -8.234 -10.466 -2.343
103 HG13 VAL 70 HG13 VAL 70 -7.142 -9.301 -1.594
104 HG21 VAL 70 HG21 VAL 70 -7.309 -9.500 -5.845
105 HG22 VAL 70 HG22 VAL 70 -7.883 -10.850 -4.867
106 HG23 VAL 70 HG23 VAL 70 -6.158 -10.491 -4.949
107 H CYS 71 HN CYS 71 -7.386 -6.349 -2.937
108 HA CYS 71 HA CYS 71 -8.307 -6.402 -0.251
109 HB2 CYS 71 HB3 CYS 71 -6.943 -4.262 -1.889
110 HB3 CYS 71 HB2 CYS 71 -7.334 -4.079 -0.167
111 HG CYS 71 HG CYS 71 -5.755 -6.631 -0.741
112 H ARG 72 HN ARG 72 -9.234 -4.687 -3.179
113 HA ARG 72 HA ARG 72 -11.015 -2.867 -2.053
114 HB2 ARG 72 HB3 ARG 72 -10.214 -2.763 -4.387
115 HB3 ARG 72 HB2 ARG 72 -11.174 -4.189 -4.764
116 HG2 ARG 72 HG3 ARG 72 -12.410 -2.217 -5.456
117 HG3 ARG 72 HG2 ARG 72 -13.231 -2.933 -4.076
118 HD2 ARG 72 HD3 ARG 72 -11.177 -0.790 -3.593
119 HD3 ARG 72 HD2 ARG 72 -12.781 -0.329 -4.149
120 HE ARG 72 HE ARG 72 -13.066 -2.104 -1.977
121 HH11 ARG 72 HH21 ARG 72 -11.928 1.073 -2.745
122 HH12 ARG 72 HH22 ARG 72 -12.279 1.727 -1.179
123 HH21 ARG 72 HH11 ARG 72 -13.526 -1.254 0.079
124 HH22 ARG 72 HH12 ARG 72 -13.183 0.409 0.419
125 H LEU 73 HN LEU 73 -11.624 -6.114 -3.378
126 HA LEU 73 HA LEU 73 -14.405 -6.143 -2.780
127 HB2 LEU 73 HB3 LEU 73 -12.398 -8.359 -3.255
128 HB3 LEU 73 HB2 LEU 73 -14.132 -8.651 -3.030
129 HG LEU 73 HG LEU 73 -13.009 -6.790 -5.153
130 HD11 LEU 73 HD11 LEU 73 -13.460 -8.663 -6.733
131 HD12 LEU 73 HD12 LEU 73 -13.822 -9.706 -5.359
132 HD13 LEU 73 HD13 LEU 73 -12.195 -9.060 -5.570
133 HD21 LEU 73 HD21 LEU 73 -15.744 -7.887 -4.482
134 HD22 LEU 73 HD22 LEU 73 -15.358 -7.466 -6.148
135 HD23 LEU 73 HD23 LEU 73 -15.282 -6.238 -4.894
136 H VAL 74 HN VAL 74 -11.543 -7.314 -1.088
137 HA VAL 74 HA VAL 74 -12.880 -8.557 1.062
138 HB VAL 74 HB VAL 74 -10.088 -7.462 0.727
139 HG11 VAL 74 HG11 VAL 74 -11.379 -8.886 3.075
140 HG12 VAL 74 HG12 VAL 74 -10.449 -7.388 3.098
141 HG13 VAL 74 HG13 VAL 74 -9.637 -8.926 2.803
142 HG21 VAL 74 HG21 VAL 74 -11.018 -10.330 1.013
143 HG22 VAL 74 HG22 VAL 74 -9.494 -9.737 0.354
144 HG23 VAL 74 HG23 VAL 74 -10.990 -9.520 -0.553
145 H LEU 75 HN LEU 75 -11.447 -5.282 0.807
146 HA LEU 75 HA LEU 75 -12.071 -4.522 3.454
147 HB2 LEU 75 HB3 LEU 75 -11.659 -2.893 0.939
148 HB3 LEU 75 HB2 LEU 75 -11.909 -2.160 2.534
149 HG LEU 75 HG LEU 75 -9.722 -4.183 1.933
150 HD11 LEU 75 HD11 LEU 75 -9.381 -2.155 0.591
151 HD12 LEU 75 HD12 LEU 75 -8.196 -2.230 1.895
152 HD13 LEU 75 HD13 LEU 75 -9.587 -1.155 2.027
153 HD21 LEU 75 HD21 LEU 75 -8.799 -2.872 4.060
154 HD22 LEU 75 HD22 LEU 75 -9.940 -4.194 4.258
155 HD23 LEU 75 HD23 LEU 75 -10.507 -2.528 4.326
156 H ARG 76 HN ARG 76 -13.840 -4.150 0.411
157 HA ARG 76 HA ARG 76 -16.033 -2.763 1.541
158 HB2 ARG 76 HB3 ARG 76 -15.747 -4.410 -0.970
159 HB3 ARG 76 HB2 ARG 76 -17.257 -3.606 -0.531
160 HG2 ARG 76 HG3 ARG 76 -15.987 -1.443 -0.374
161 HG3 ARG 76 HG2 ARG 76 -14.566 -2.286 -0.986
162 HD2 ARG 76 HD3 ARG 76 -17.210 -2.206 -2.451
163 HD3 ARG 76 HD2 ARG 76 -15.908 -1.059 -2.743
164 HE ARG 76 HE ARG 76 -14.838 -3.641 -2.971
165 HH11 ARG 76 HH21 ARG 76 -17.174 -1.583 -4.480
166 HH12 ARG 76 HH22 ARG 76 -16.954 -2.256 -6.060
167 HH21 ARG 76 HH11 ARG 76 -14.539 -4.525 -5.046
168 HH22 ARG 76 HH12 ARG 76 -15.462 -3.921 -6.380
169 H CYS 77 HN CYS 77 -15.327 -6.180 1.095
170 HA CYS 77 HA CYS 77 -17.840 -7.223 1.778
171 HB2 CYS 77 HB3 CYS 77 -16.055 -8.571 0.765
172 HB3 CYS 77 HB2 CYS 77 -15.095 -8.416 2.253
173 HG CYS 77 HG CYS 77 -17.764 -9.529 2.997
174 H SER 78 HN SER 78 -14.996 -6.563 3.843
175 HA SER 78 HA SER 78 -16.479 -7.277 6.242
176 HB2 SER 78 HB3 SER 78 -13.690 -6.180 5.819
177 HB3 SER 78 HB2 SER 78 -14.369 -6.595 7.405
178 HG SER 78 HG SER 78 -13.487 -8.460 6.829
179 H MET 79 HN MET 79 -14.532 -4.353 5.605
180 HA MET 79 HA MET 79 -16.365 -2.790 7.244
181 HB2 MET 79 HB3 MET 79 -14.720 -0.981 6.991
182 HB3 MET 79 HB2 MET 79 -13.950 -2.479 7.547
183 HG2 MET 79 HG3 MET 79 -13.213 -2.961 5.248
184 HG3 MET 79 HG2 MET 79 -14.010 -1.500 4.669
185 HE1 MET 79 HE1 MET 79 -11.705 -2.061 8.045
186 HE2 MET 79 HE2 MET 79 -10.206 -1.971 7.126
187 HE3 MET 79 HE3 MET 79 -11.416 -3.174 6.699
188 H ASP 80 HN ASP 80 -17.306 -0.819 6.530
189 HA ASP 80 HA ASP 80 -17.487 -0.321 3.655
190 HB2 ASP 80 HB3 ASP 80 -19.912 -0.479 3.592
191 HB3 ASP 80 HB2 ASP 80 -19.240 -2.023 4.114
Start of MODEL 3
1 H1 ASP 59 HT1 ASP 59 -1.796 -4.787 2.996
2 H2 ASP 59 HT2 ASP 59 -0.730 -5.464 1.861
3 H3 ASP 59 HT3 ASP 59 -0.508 -3.864 2.390
4 HA ASP 59 HA ASP 59 1.012 -4.790 3.741
5 HB2 ASP 59 HB3 ASP 59 -0.790 -3.954 5.216
6 HB3 ASP 59 HB2 ASP 59 -1.561 -5.554 5.164
7 H THR 60 HN THR 60 -1.536 -7.037 2.850
8 HA THR 60 HA THR 60 -0.053 -9.376 3.708
9 HB THR 60 HB THR 60 -1.926 -10.633 2.781
10 HG1 THR 60 HG1 THR 60 -3.623 -8.843 2.055
11 HG21 THR 60 HG21 THR 60 -2.806 -8.145 4.272
12 HG22 THR 60 HG22 THR 60 -2.210 -9.635 5.004
13 HG23 THR 60 HG23 THR 60 -3.744 -9.632 4.132
14 H LEU 61 HN LEU 61 0.375 -11.144 2.145
15 HA LEU 61 HA LEU 61 2.095 -10.262 0.088
16 HB2 LEU 61 HB3 LEU 61 2.378 -12.431 1.200
17 HB3 LEU 61 HB2 LEU 61 0.848 -12.989 0.527
18 HG LEU 61 HG LEU 61 1.762 -12.739 -1.760
19 HD11 LEU 61 HD11 LEU 61 4.379 -12.464 -1.779
20 HD12 LEU 61 HD12 LEU 61 4.125 -11.661 -0.230
21 HD13 LEU 61 HD13 LEU 61 3.362 -11.028 -1.689
22 HD21 LEU 61 HD21 LEU 61 3.558 -14.337 0.092
23 HD22 LEU 61 HD22 LEU 61 3.360 -14.608 -1.639
24 HD23 LEU 61 HD23 LEU 61 2.006 -14.883 -0.545
25 H LEU 62 HN LEU 62 -1.192 -11.618 0.017
26 HA LEU 62 HA LEU 62 -1.472 -11.583 -2.799
27 HB2 LEU 62 HB3 LEU 62 -2.966 -12.879 -1.337
28 HB3 LEU 62 HB2 LEU 62 -3.596 -11.382 -0.654
29 HG LEU 62 HG LEU 62 -4.424 -10.707 -2.886
30 HD11 LEU 62 HD11 LEU 62 -3.052 -13.270 -3.686
31 HD12 LEU 62 HD12 LEU 62 -3.042 -11.702 -4.494
32 HD13 LEU 62 HD13 LEU 62 -4.469 -12.728 -4.587
33 HD21 LEU 62 HD21 LEU 62 -5.996 -11.861 -1.503
34 HD22 LEU 62 HD22 LEU 62 -5.243 -13.422 -1.832
35 HD23 LEU 62 HD23 LEU 62 -6.134 -12.588 -3.105
36 H GLY 63 HN GLY 63 -2.298 -9.233 -0.268
37 HA2 GLY 63 HA3 GLY 63 -3.571 -7.335 -1.902
38 HA3 GLY 63 HA2 GLY 63 -2.724 -6.974 -0.380
39 H ARG 64 HN ARG 64 -0.275 -8.284 -1.539
40 HA ARG 64 HA ARG 64 0.841 -5.894 -2.718
41 HB2 ARG 64 HB3 ARG 64 1.997 -7.543 -1.071
42 HB3 ARG 64 HB2 ARG 64 2.271 -8.539 -2.498
43 HG2 ARG 64 HG3 ARG 64 3.437 -6.673 -3.599
44 HG3 ARG 64 HG2 ARG 64 3.133 -5.645 -2.199
45 HD2 ARG 64 HD3 ARG 64 4.433 -7.190 -0.782
46 HD3 ARG 64 HD2 ARG 64 4.735 -8.218 -2.179
47 HE ARG 64 HE ARG 64 6.318 -6.676 -2.924
48 HH11 ARG 64 HH21 ARG 64 4.392 -5.388 -0.353
49 HH12 ARG 64 HH22 ARG 64 5.379 -3.981 -0.135
50 HH21 ARG 64 HH11 ARG 64 7.617 -4.836 -2.641
51 HH22 ARG 64 HH12 ARG 64 7.205 -3.668 -1.429
52 H MET 65 HN MET 65 -1.270 -7.268 -4.177
53 HA MET 65 HA MET 65 0.093 -7.485 -6.746
54 HB2 MET 65 HB3 MET 65 -0.022 -9.816 -5.627
55 HB3 MET 65 HB2 MET 65 -1.755 -9.728 -5.938
56 HG2 MET 65 HG3 MET 65 -0.751 -10.868 -7.811
57 HG3 MET 65 HG2 MET 65 -1.203 -9.242 -8.363
58 HE1 MET 65 HE1 MET 65 1.993 -10.198 -10.300
59 HE2 MET 65 HE2 MET 65 0.695 -9.019 -10.463
60 HE3 MET 65 HE3 MET 65 0.312 -10.685 -10.047
61 H LEU 66 HN LEU 66 -2.988 -7.806 -4.994
62 HA LEU 66 HA LEU 66 -4.294 -6.152 -7.084
63 HB2 LEU 66 HB3 LEU 66 -5.489 -8.552 -5.676
64 HB3 LEU 66 HB2 LEU 66 -6.325 -7.505 -6.819
65 HG LEU 66 HG LEU 66 -3.828 -9.098 -7.477
66 HD11 LEU 66 HD11 LEU 66 -5.439 -10.520 -8.795
67 HD12 LEU 66 HD12 LEU 66 -6.759 -9.672 -7.994
68 HD13 LEU 66 HD13 LEU 66 -5.635 -10.647 -7.048
69 HD21 LEU 66 HD21 LEU 66 -5.680 -7.295 -9.043
70 HD22 LEU 66 HD22 LEU 66 -4.823 -8.598 -9.863
71 HD23 LEU 66 HD23 LEU 66 -3.918 -7.335 -9.037
72 HA PRO 67 HA PRO 67 -4.914 -4.658 -2.690
73 HB2 PRO 67 HB3 PRO 67 -3.660 -2.238 -2.902
74 HB3 PRO 67 HB2 PRO 67 -2.787 -3.742 -2.489
75 HG2 PRO 67 HG3 PRO 67 -3.031 -2.354 -5.140
76 HG3 PRO 67 HG2 PRO 67 -1.588 -3.073 -4.365
77 HD2 PRO 67 HD3 PRO 67 -3.016 -4.374 -6.306
78 HD3 PRO 67 HD2 PRO 67 -2.166 -5.237 -5.006
79 H GLN 68 HN GLN 68 -5.318 -3.325 -5.866
80 HA GLN 68 HA GLN 68 -7.490 -1.541 -4.941
81 HB2 GLN 68 HB3 GLN 68 -7.318 -0.474 -7.149
82 HB3 GLN 68 HB2 GLN 68 -5.773 -0.432 -6.278
83 HG2 GLN 68 HG3 GLN 68 -4.994 -2.390 -7.569
84 HG3 GLN 68 HG2 GLN 68 -6.529 -2.442 -8.432
85 HE21 GLN 68 HE21 GLN 68 -3.405 -1.418 -8.814
86 HE22 GLN 68 HE22 GLN 68 -3.667 -0.110 -9.888
87 H LEU 69 HN LEU 69 -7.967 -4.284 -4.936
88 HA LEU 69 HA LEU 69 -10.327 -4.386 -6.517
89 HB2 LEU 69 HB3 LEU 69 -8.265 -4.953 -8.097
90 HB3 LEU 69 HB2 LEU 69 -8.394 -6.536 -7.343
91 HG LEU 69 HG LEU 69 -10.699 -5.089 -8.693
92 HD11 LEU 69 HD11 LEU 69 -9.035 -5.692 -10.356
93 HD12 LEU 69 HD12 LEU 69 -10.383 -6.824 -10.469
94 HD13 LEU 69 HD13 LEU 69 -8.886 -7.311 -9.671
95 HD21 LEU 69 HD21 LEU 69 -11.566 -6.616 -7.078
96 HD22 LEU 69 HD22 LEU 69 -10.345 -7.829 -7.458
97 HD23 LEU 69 HD23 LEU 69 -11.631 -7.482 -8.613
98 H VAL 70 HN VAL 70 -7.995 -6.902 -5.406
99 HA VAL 70 HA VAL 70 -10.061 -8.474 -4.248
100 HB VAL 70 HB VAL 70 -7.070 -8.439 -3.791
101 HG11 VAL 70 HG11 VAL 70 -7.576 -10.774 -2.834
102 HG12 VAL 70 HG12 VAL 70 -9.250 -10.239 -2.707
103 HG13 VAL 70 HG13 VAL 70 -7.986 -9.400 -1.808
104 HG21 VAL 70 HG21 VAL 70 -7.101 -10.402 -5.230
105 HG22 VAL 70 HG22 VAL 70 -7.954 -9.095 -6.056
106 HG23 VAL 70 HG23 VAL 70 -8.864 -10.388 -5.273
107 H CYS 71 HN CYS 71 -7.633 -6.316 -2.812
108 HA CYS 71 HA CYS 71 -8.643 -6.498 -0.166
109 HB2 CYS 71 HB3 CYS 71 -6.897 -4.445 -1.529
110 HB3 CYS 71 HB2 CYS 71 -7.298 -4.402 0.199
111 HG CYS 71 HG CYS 71 -6.148 -7.099 -0.644
112 H ARG 72 HN ARG 72 -9.164 -4.331 -2.889
113 HA ARG 72 HA ARG 72 -10.659 -2.377 -1.582
114 HB2 ARG 72 HB3 ARG 72 -9.771 -2.127 -3.869
115 HB3 ARG 72 HB2 ARG 72 -10.923 -3.331 -4.438
116 HG2 ARG 72 HG3 ARG 72 -11.796 -1.103 -4.902
117 HG3 ARG 72 HG2 ARG 72 -12.789 -1.859 -3.665
118 HD2 ARG 72 HD3 ARG 72 -10.465 -0.154 -2.811
119 HD3 ARG 72 HD2 ARG 72 -11.946 0.628 -3.356
120 HE ARG 72 HE ARG 72 -12.656 -1.336 -1.478
121 HH11 ARG 72 HH21 ARG 72 -10.884 1.628 -1.707
122 HH12 ARG 72 HH22 ARG 72 -11.189 2.099 -0.068
123 HH21 ARG 72 HH11 ARG 72 -13.058 -0.726 0.674
124 HH22 ARG 72 HH12 ARG 72 -12.419 0.765 1.279
125 H LEU 73 HN LEU 73 -11.743 -5.302 -3.290
126 HA LEU 73 HA LEU 73 -14.503 -4.930 -2.750
127 HB2 LEU 73 HB3 LEU 73 -13.722 -6.379 -4.557
128 HB3 LEU 73 HB2 LEU 73 -12.969 -7.462 -3.369
129 HG LEU 73 HG LEU 73 -15.185 -7.944 -2.395
130 HD11 LEU 73 HD11 LEU 73 -16.530 -6.045 -2.705
131 HD12 LEU 73 HD12 LEU 73 -17.178 -7.139 -3.922
132 HD13 LEU 73 HD13 LEU 73 -16.057 -5.860 -4.394
133 HD21 LEU 73 HD21 LEU 73 -16.158 -9.070 -4.448
134 HD22 LEU 73 HD22 LEU 73 -14.458 -9.417 -4.139
135 HD23 LEU 73 HD23 LEU 73 -14.907 -8.255 -5.387
136 H VAL 74 HN VAL 74 -11.957 -6.804 -1.182
137 HA VAL 74 HA VAL 74 -13.552 -8.019 0.794
138 HB VAL 74 HB VAL 74 -10.603 -7.393 0.630
139 HG11 VAL 74 HG11 VAL 74 -10.478 -9.147 2.517
140 HG12 VAL 74 HG12 VAL 74 -12.197 -8.842 2.768
141 HG13 VAL 74 HG13 VAL 74 -11.030 -7.538 2.989
142 HG21 VAL 74 HG21 VAL 74 -10.394 -9.683 0.000
143 HG22 VAL 74 HG22 VAL 74 -11.787 -9.094 -0.909
144 HG23 VAL 74 HG23 VAL 74 -12.027 -10.065 0.544
145 H LEU 75 HN LEU 75 -11.598 -5.016 0.930
146 HA LEU 75 HA LEU 75 -12.155 -4.468 3.645
147 HB2 LEU 75 HB3 LEU 75 -11.432 -2.656 1.333
148 HB3 LEU 75 HB2 LEU 75 -11.620 -2.066 2.995
149 HG LEU 75 HG LEU 75 -9.743 -4.328 2.219
150 HD11 LEU 75 HD11 LEU 75 -9.234 -1.355 2.514
151 HD12 LEU 75 HD12 LEU 75 -8.970 -2.347 1.079
152 HD13 LEU 75 HD13 LEU 75 -7.953 -2.567 2.502
153 HD21 LEU 75 HD21 LEU 75 -10.329 -2.800 4.751
154 HD22 LEU 75 HD22 LEU 75 -8.691 -3.388 4.474
155 HD23 LEU 75 HD23 LEU 75 -10.034 -4.523 4.530
156 H ARG 76 HN ARG 76 -13.788 -3.533 0.649
157 HA ARG 76 HA ARG 76 -15.779 -1.940 1.884
158 HB2 ARG 76 HB3 ARG 76 -15.705 -3.416 -0.743
159 HB3 ARG 76 HB2 ARG 76 -17.085 -2.436 -0.245
160 HG2 ARG 76 HG3 ARG 76 -15.606 -0.475 -0.002
161 HG3 ARG 76 HG2 ARG 76 -14.228 -1.451 -0.507
162 HD2 ARG 76 HD3 ARG 76 -16.709 -1.037 -2.193
163 HD3 ARG 76 HD2 ARG 76 -15.240 -0.080 -2.360
164 HE ARG 76 HE ARG 76 -14.478 -2.756 -2.532
165 HH11 ARG 76 HH21 ARG 76 -16.506 -0.499 -4.194
166 HH12 ARG 76 HH22 ARG 76 -16.303 -1.247 -5.744
167 HH21 ARG 76 HH11 ARG 76 -14.205 -3.741 -4.561
168 HH22 ARG 76 HH12 ARG 76 -14.999 -3.082 -5.951
169 H CYS 77 HN CYS 77 -15.571 -5.366 1.103
170 HA CYS 77 HA CYS 77 -18.209 -6.107 1.714
171 HB2 CYS 77 HB3 CYS 77 -16.622 -7.580 0.541
172 HB3 CYS 77 HB2 CYS 77 -15.660 -7.718 2.028
173 HG CYS 77 HG CYS 77 -18.484 -8.512 2.646
174 H SER 78 HN SER 78 -15.297 -6.021 3.754
175 HA SER 78 HA SER 78 -16.476 -7.011 6.106
176 HB2 SER 78 HB3 SER 78 -14.049 -6.840 5.823
177 HB3 SER 78 HB2 SER 78 -14.169 -5.069 5.789
178 HG SER 78 HG SER 78 -13.651 -5.818 7.873
179 H MET 79 HN MET 79 -16.133 -3.690 4.890
180 HA MET 79 HA MET 79 -17.498 -2.581 7.208
181 HB2 MET 79 HB3 MET 79 -16.515 -1.316 4.637
182 HB3 MET 79 HB2 MET 79 -17.226 -0.423 6.000
183 HG2 MET 79 HG3 MET 79 -15.447 -1.242 7.482
184 HG3 MET 79 HG2 MET 79 -14.757 -2.186 6.163
185 HE1 MET 79 HE1 MET 79 -12.047 0.433 6.424
186 HE2 MET 79 HE2 MET 79 -12.578 -1.229 6.663
187 HE3 MET 79 HE3 MET 79 -13.013 0.003 7.843
188 H ASP 80 HN ASP 80 -18.435 -4.016 4.301
189 HA ASP 80 HA ASP 80 -21.193 -3.138 4.694
190 HB2 ASP 80 HB3 ASP 80 -20.273 -1.460 3.133
191 HB3 ASP 80 HB2 ASP 80 -19.788 -2.754 2.040
Start of MODEL 4
1 H1 ASP 59 HT1 ASP 59 -1.980 -5.088 3.104
2 H2 ASP 59 HT2 ASP 59 -0.842 -5.493 1.909
3 H3 ASP 59 HT3 ASP 59 -0.853 -3.933 2.582
4 HA ASP 59 HA ASP 59 0.811 -4.746 3.837
5 HB2 ASP 59 HB3 ASP 59 -1.062 -4.304 5.389
6 HB3 ASP 59 HB2 ASP 59 -1.606 -5.985 5.198
7 H THR 60 HN THR 60 -1.411 -7.252 2.774
8 HA THR 60 HA THR 60 0.408 -9.416 3.416
9 HB THR 60 HB THR 60 -1.287 -10.849 2.399
10 HG1 THR 60 HG1 THR 60 -3.250 -9.361 1.818
11 HG21 THR 60 HG21 THR 60 -2.601 -8.672 4.047
12 HG22 THR 60 HG22 THR 60 -1.609 -9.965 4.722
13 HG23 THR 60 HG23 THR 60 -3.123 -10.350 3.906
14 H LEU 61 HN LEU 61 1.039 -10.974 1.699
15 HA LEU 61 HA LEU 61 2.569 -9.686 -0.300
16 HB2 LEU 61 HB3 LEU 61 1.748 -12.577 0.045
17 HB3 LEU 61 HB2 LEU 61 2.876 -12.030 -1.191
18 HG LEU 61 HG LEU 61 3.251 -11.534 1.778
19 HD11 LEU 61 HD11 LEU 61 4.979 -13.337 1.607
20 HD12 LEU 61 HD12 LEU 61 4.404 -13.684 -0.022
21 HD13 LEU 61 HD13 LEU 61 3.336 -13.927 1.361
22 HD21 LEU 61 HD21 LEU 61 5.717 -11.316 0.799
23 HD22 LEU 61 HD22 LEU 61 4.610 -9.948 0.728
24 HD23 LEU 61 HD23 LEU 61 4.864 -10.950 -0.701
25 H LEU 62 HN LEU 62 -0.554 -11.343 -0.364
26 HA LEU 62 HA LEU 62 -0.920 -11.261 -3.168
27 HB2 LEU 62 HB3 LEU 62 -2.273 -12.694 -1.700
28 HB3 LEU 62 HB2 LEU 62 -2.985 -11.263 -0.957
29 HG LEU 62 HG LEU 62 -3.928 -10.594 -3.149
30 HD11 LEU 62 HD11 LEU 62 -3.887 -12.569 -4.898
31 HD12 LEU 62 HD12 LEU 62 -2.411 -13.036 -4.053
32 HD13 LEU 62 HD13 LEU 62 -2.529 -11.450 -4.818
33 HD21 LEU 62 HD21 LEU 62 -4.524 -13.378 -2.129
34 HD22 LEU 62 HD22 LEU 62 -5.502 -12.594 -3.367
35 HD23 LEU 62 HD23 LEU 62 -5.380 -11.881 -1.757
36 H GLY 63 HN GLY 63 -1.848 -9.049 -0.549
37 HA2 GLY 63 HA3 GLY 63 -3.283 -7.195 -2.106
38 HA3 GLY 63 HA2 GLY 63 -2.445 -6.824 -0.583
39 H ARG 64 HN ARG 64 0.071 -7.928 -1.816
40 HA ARG 64 HA ARG 64 1.016 -5.434 -2.911
41 HB2 ARG 64 HB3 ARG 64 2.284 -7.134 -1.363
42 HB3 ARG 64 HB2 ARG 64 2.633 -7.973 -2.869
43 HG2 ARG 64 HG3 ARG 64 4.480 -6.543 -2.656
44 HG3 ARG 64 HG2 ARG 64 3.418 -5.630 -3.723
45 HD2 ARG 64 HD3 ARG 64 2.659 -4.240 -1.890
46 HD3 ARG 64 HD2 ARG 64 3.480 -5.258 -0.712
47 HE ARG 64 HE ARG 64 5.411 -4.331 -2.515
48 HH11 ARG 64 HH21 ARG 64 3.178 -3.126 -0.161
49 HH12 ARG 64 HH22 ARG 64 4.154 -1.759 0.265
50 HH21 ARG 64 HH11 ARG 64 6.694 -2.541 -1.961
51 HH22 ARG 64 HH12 ARG 64 6.143 -1.428 -0.753
52 H MET 65 HN MET 65 -1.026 -6.914 -4.392
53 HA MET 65 HA MET 65 0.294 -6.890 -6.991
54 HB2 MET 65 HB3 MET 65 0.508 -9.246 -6.143
55 HB3 MET 65 HB2 MET 65 -1.251 -9.331 -6.091
56 HG2 MET 65 HG3 MET 65 -0.492 -10.299 -8.190
57 HG3 MET 65 HG2 MET 65 -1.310 -8.763 -8.530
58 HE1 MET 65 HE1 MET 65 2.508 -9.621 -7.272
59 HE2 MET 65 HE2 MET 65 3.101 -9.857 -8.913
60 HE3 MET 65 HE3 MET 65 1.758 -10.828 -8.323
61 H LEU 66 HN LEU 66 -2.703 -7.525 -5.185
62 HA LEU 66 HA LEU 66 -4.196 -5.926 -7.193
63 HB2 LEU 66 HB3 LEU 66 -5.152 -8.451 -5.819
64 HB3 LEU 66 HB2 LEU 66 -6.097 -7.455 -6.919
65 HG LEU 66 HG LEU 66 -3.491 -8.813 -7.671
66 HD11 LEU 66 HD11 LEU 66 -6.374 -9.635 -8.105
67 HD12 LEU 66 HD12 LEU 66 -5.122 -10.533 -7.247
68 HD13 LEU 66 HD13 LEU 66 -5.021 -10.330 -8.995
69 HD21 LEU 66 HD21 LEU 66 -5.535 -7.154 -9.156
70 HD22 LEU 66 HD22 LEU 66 -4.576 -8.354 -10.021
71 HD23 LEU 66 HD23 LEU 66 -3.777 -7.029 -9.184
72 HA PRO 67 HA PRO 67 -4.823 -4.599 -2.745
73 HB2 PRO 67 HB3 PRO 67 -3.750 -2.093 -2.903
74 HB3 PRO 67 HB2 PRO 67 -2.760 -3.542 -2.562
75 HG2 PRO 67 HG3 PRO 67 -3.171 -2.093 -5.159
76 HG3 PRO 67 HG2 PRO 67 -1.661 -2.725 -4.441
77 HD2 PRO 67 HD3 PRO 67 -3.040 -4.069 -6.392
78 HD3 PRO 67 HD2 PRO 67 -2.093 -4.905 -5.141
79 H GLN 68 HN GLN 68 -5.390 -3.190 -5.871
80 HA GLN 68 HA GLN 68 -7.649 -1.587 -4.836
81 HB2 GLN 68 HB3 GLN 68 -7.606 -0.439 -7.006
82 HB3 GLN 68 HB2 GLN 68 -6.037 -0.332 -6.181
83 HG2 GLN 68 HG3 GLN 68 -5.192 -2.202 -7.560
84 HG3 GLN 68 HG2 GLN 68 -6.745 -2.307 -8.382
85 HE21 GLN 68 HE21 GLN 68 -3.695 -1.111 -8.820
86 HE22 GLN 68 HE22 GLN 68 -4.054 0.223 -9.833
87 H LEU 69 HN LEU 69 -7.944 -4.362 -4.918
88 HA LEU 69 HA LEU 69 -10.345 -4.559 -6.433
89 HB2 LEU 69 HB3 LEU 69 -8.781 -4.861 -8.294
90 HB3 LEU 69 HB2 LEU 69 -7.970 -6.155 -7.419
91 HG LEU 69 HG LEU 69 -10.057 -7.487 -7.447
92 HD11 LEU 69 HD11 LEU 69 -11.118 -4.986 -8.756
93 HD12 LEU 69 HD12 LEU 69 -11.848 -5.973 -7.487
94 HD13 LEU 69 HD13 LEU 69 -11.831 -6.551 -9.150
95 HD21 LEU 69 HD21 LEU 69 -9.372 -6.460 -10.215
96 HD22 LEU 69 HD22 LEU 69 -9.997 -8.055 -9.796
97 HD23 LEU 69 HD23 LEU 69 -8.365 -7.593 -9.312
98 H VAL 70 HN VAL 70 -7.807 -6.933 -5.477
99 HA VAL 70 HA VAL 70 -9.715 -8.702 -4.331
100 HB VAL 70 HB VAL 70 -6.725 -8.447 -3.941
101 HG11 VAL 70 HG11 VAL 70 -7.022 -10.847 -3.058
102 HG12 VAL 70 HG12 VAL 70 -8.729 -10.450 -2.875
103 HG13 VAL 70 HG13 VAL 70 -7.512 -9.546 -1.973
104 HG21 VAL 70 HG21 VAL 70 -7.638 -9.094 -6.205
105 HG22 VAL 70 HG22 VAL 70 -8.388 -10.496 -5.440
106 HG23 VAL 70 HG23 VAL 70 -6.630 -10.336 -5.460
107 H CYS 71 HN CYS 71 -7.425 -6.413 -2.869
108 HA CYS 71 HA CYS 71 -8.369 -6.761 -0.212
109 HB2 CYS 71 HB3 CYS 71 -6.785 -4.550 -1.530
110 HB3 CYS 71 HB2 CYS 71 -7.157 -4.588 0.203
111 HG CYS 71 HG CYS 71 -5.835 -7.167 -0.778
112 H ARG 72 HN ARG 72 -9.084 -4.551 -2.857
113 HA ARG 72 HA ARG 72 -10.723 -2.763 -1.471
114 HB2 ARG 72 HB3 ARG 72 -9.858 -2.375 -3.757
115 HB3 ARG 72 HB2 ARG 72 -10.937 -3.630 -4.358
116 HG2 ARG 72 HG3 ARG 72 -11.990 -1.486 -4.748
117 HG3 ARG 72 HG2 ARG 72 -12.884 -2.303 -3.472
118 HD2 ARG 72 HD3 ARG 72 -10.638 -0.447 -2.717
119 HD3 ARG 72 HD2 ARG 72 -12.190 0.233 -3.193
120 HE ARG 72 HE ARG 72 -12.671 -1.777 -1.287
121 HH11 ARG 72 HH21 ARG 72 -11.159 1.319 -1.602
122 HH12 ARG 72 HH22 ARG 72 -11.433 1.775 0.046
123 HH21 ARG 72 HH11 ARG 72 -13.034 -1.185 0.878
124 HH22 ARG 72 HH12 ARG 72 -12.495 0.357 1.450
125 H LEU 73 HN LEU 73 -11.549 -5.702 -3.288
126 HA LEU 73 HA LEU 73 -14.334 -5.594 -2.760
127 HB2 LEU 73 HB3 LEU 73 -13.413 -6.907 -4.606
128 HB3 LEU 73 HB2 LEU 73 -12.574 -7.958 -3.449
129 HG LEU 73 HG LEU 73 -14.746 -8.668 -2.511
130 HD11 LEU 73 HD11 LEU 73 -16.253 -6.887 -2.776
131 HD12 LEU 73 HD12 LEU 73 -16.789 -7.993 -4.035
132 HD13 LEU 73 HD13 LEU 73 -15.785 -6.605 -4.452
133 HD21 LEU 73 HD21 LEU 73 -13.873 -10.011 -4.295
134 HD22 LEU 73 HD22 LEU 73 -14.419 -8.853 -5.509
135 HD23 LEU 73 HD23 LEU 73 -15.598 -9.809 -4.610
136 H VAL 74 HN VAL 74 -11.646 -7.307 -1.235
137 HA VAL 74 HA VAL 74 -13.152 -8.709 0.689
138 HB VAL 74 HB VAL 74 -10.262 -7.837 0.567
139 HG11 VAL 74 HG11 VAL 74 -11.745 -9.471 2.653
140 HG12 VAL 74 HG12 VAL 74 -10.691 -8.082 2.918
141 HG13 VAL 74 HG13 VAL 74 -10.005 -9.626 2.408
142 HG21 VAL 74 HG21 VAL 74 -11.302 -9.593 -1.022
143 HG22 VAL 74 HG22 VAL 74 -11.455 -10.618 0.403
144 HG23 VAL 74 HG23 VAL 74 -9.862 -10.080 -0.130
145 H LEU 75 HN LEU 75 -11.397 -5.598 0.948
146 HA LEU 75 HA LEU 75 -12.071 -5.143 3.656
147 HB2 LEU 75 HB3 LEU 75 -11.356 -3.245 1.410
148 HB3 LEU 75 HB2 LEU 75 -11.612 -2.712 3.082
149 HG LEU 75 HG LEU 75 -9.622 -4.868 2.288
150 HD11 LEU 75 HD11 LEU 75 -9.259 -1.888 2.682
151 HD12 LEU 75 HD12 LEU 75 -8.889 -2.833 1.238
152 HD13 LEU 75 HD13 LEU 75 -7.921 -3.035 2.699
153 HD21 LEU 75 HD21 LEU 75 -10.342 -3.456 4.854
154 HD22 LEU 75 HD22 LEU 75 -8.673 -3.966 4.604
155 HD23 LEU 75 HD23 LEU 75 -9.967 -5.157 4.581
156 H ARG 76 HN ARG 76 -13.628 -4.239 0.617
157 HA ARG 76 HA ARG 76 -15.724 -2.731 1.762
158 HB2 ARG 76 HB3 ARG 76 -15.501 -4.229 -0.852
159 HB3 ARG 76 HB2 ARG 76 -16.901 -3.242 -0.432
160 HG2 ARG 76 HG3 ARG 76 -14.130 -2.062 -0.258
161 HG3 ARG 76 HG2 ARG 76 -14.936 -2.175 -1.821
162 HD2 ARG 76 HD3 ARG 76 -16.866 -0.917 -0.900
163 HD3 ARG 76 HD2 ARG 76 -16.026 -0.769 0.640
164 HE ARG 76 HE ARG 76 -14.338 0.220 -1.379
165 HH11 ARG 76 HH21 ARG 76 -17.348 0.903 0.185
166 HH12 ARG 76 HH22 ARG 76 -17.240 2.615 -0.048
167 HH21 ARG 76 HH11 ARG 76 -14.187 2.465 -1.685
168 HH22 ARG 76 HH12 ARG 76 -15.448 3.500 -1.106
169 H CYS 77 HN CYS 77 -15.370 -6.145 0.983
170 HA CYS 77 HA CYS 77 -18.010 -6.962 1.495
171 HB2 CYS 77 HB3 CYS 77 -16.354 -8.379 0.352
172 HB3 CYS 77 HB2 CYS 77 -15.427 -8.507 1.863
173 HG CYS 77 HG CYS 77 -18.217 -9.389 2.445
174 H SER 78 HN SER 78 -15.156 -6.871 3.624
175 HA SER 78 HA SER 78 -16.435 -7.878 5.928
176 HB2 SER 78 HB3 SER 78 -14.034 -6.059 5.628
177 HB3 SER 78 HB2 SER 78 -14.541 -6.797 7.162
178 HG SER 78 HG SER 78 -13.356 -8.399 6.467
179 H MET 79 HN MET 79 -16.017 -4.582 4.704
180 HA MET 79 HA MET 79 -18.266 -3.684 6.333
181 HB2 MET 79 HB3 MET 79 -16.299 -3.382 7.815
182 HB3 MET 79 HB2 MET 79 -15.541 -2.373 6.566
183 HG2 MET 79 HG3 MET 79 -17.384 -0.770 6.700
184 HG3 MET 79 HG2 MET 79 -18.223 -1.792 7.866
185 HE1 MET 79 HE1 MET 79 -17.734 1.144 8.252
186 HE2 MET 79 HE2 MET 79 -17.044 1.350 9.860
187 HE3 MET 79 HE3 MET 79 -18.390 0.240 9.624
188 H ASP 80 HN ASP 80 -19.373 -2.041 5.386
189 HA ASP 80 HA ASP 80 -18.149 -0.448 3.263
190 HB2 ASP 80 HB3 ASP 80 -18.952 -2.451 2.080
191 HB3 ASP 80 HB2 ASP 80 -20.562 -2.205 2.755
Start of MODEL 5
1 H1 ASP 59 HT1 ASP 59 -3.031 -6.868 3.542
2 H2 ASP 59 HT2 ASP 59 -2.067 -5.534 3.118
3 H3 ASP 59 HT3 ASP 59 -3.045 -5.475 4.508
4 HA ASP 59 HA ASP 59 -0.499 -5.951 4.697
5 HB2 ASP 59 HB3 ASP 59 -0.959 -7.160 6.774
6 HB3 ASP 59 HB2 ASP 59 -2.163 -5.874 6.551
7 H THR 60 HN THR 60 -2.512 -8.030 2.961
8 HA THR 60 HA THR 60 -0.927 -10.437 3.318
9 HB THR 60 HB THR 60 -3.396 -10.490 2.898
10 HG1 THR 60 HG1 THR 60 -3.120 -12.069 1.107
11 HG21 THR 60 HG21 THR 60 -2.697 -9.839 0.038
12 HG22 THR 60 HG22 THR 60 -3.220 -8.590 1.168
13 HG23 THR 60 HG23 THR 60 -4.293 -9.933 0.778
14 H LEU 61 HN LEU 61 -0.244 -11.569 1.207
15 HA LEU 61 HA LEU 61 1.832 -10.051 0.032
16 HB2 LEU 61 HB3 LEU 61 0.614 -12.733 -0.615
17 HB3 LEU 61 HB2 LEU 61 1.899 -12.046 -1.606
18 HG LEU 61 HG LEU 61 3.292 -11.809 0.475
19 HD11 LEU 61 HD11 LEU 61 2.506 -13.332 2.393
20 HD12 LEU 61 HD12 LEU 61 0.909 -13.248 1.653
21 HD13 LEU 61 HD13 LEU 61 1.692 -11.778 2.232
22 HD21 LEU 61 HD21 LEU 61 3.819 -14.221 0.632
23 HD22 LEU 61 HD22 LEU 61 3.565 -13.731 -1.043
24 HD23 LEU 61 HD23 LEU 61 2.298 -14.602 -0.177
25 H LEU 62 HN LEU 62 -1.405 -10.931 -1.103
26 HA LEU 62 HA LEU 62 -1.102 -9.926 -3.742
27 HB2 LEU 62 HB3 LEU 62 -3.615 -10.199 -2.080
28 HB3 LEU 62 HB2 LEU 62 -3.553 -9.961 -3.825
29 HG LEU 62 HG LEU 62 -2.368 -12.324 -2.340
30 HD11 LEU 62 HD11 LEU 62 -4.870 -12.020 -4.019
31 HD12 LEU 62 HD12 LEU 62 -4.786 -12.433 -2.306
32 HD13 LEU 62 HD13 LEU 62 -4.203 -13.574 -3.517
33 HD21 LEU 62 HD21 LEU 62 -1.062 -12.172 -4.270
34 HD22 LEU 62 HD22 LEU 62 -2.358 -11.444 -5.221
35 HD23 LEU 62 HD23 LEU 62 -2.390 -13.169 -4.855
36 H GLY 63 HN GLY 63 -1.475 -8.408 -0.712
37 HA2 GLY 63 HA3 GLY 63 -2.808 -6.034 -1.416
38 HA3 GLY 63 HA2 GLY 63 -1.620 -6.188 -0.101
39 H ARG 64 HN ARG 64 0.249 -7.292 -2.269
40 HA ARG 64 HA ARG 64 1.129 -4.683 -3.348
41 HB2 ARG 64 HB3 ARG 64 2.590 -5.930 -1.602
42 HB3 ARG 64 HB2 ARG 64 2.936 -7.058 -2.910
43 HG2 ARG 64 HG3 ARG 64 3.825 -5.255 -4.292
44 HG3 ARG 64 HG2 ARG 64 3.363 -4.059 -3.081
45 HD2 ARG 64 HD3 ARG 64 5.332 -6.316 -2.628
46 HD3 ARG 64 HD2 ARG 64 5.772 -4.640 -2.946
47 HE ARG 64 HE ARG 64 4.035 -4.618 -0.761
48 HH11 ARG 64 HH21 ARG 64 7.128 -5.899 -1.642
49 HH12 ARG 64 HH22 ARG 64 7.762 -5.846 -0.031
50 HH21 ARG 64 HH11 ARG 64 4.861 -4.546 1.354
51 HH22 ARG 64 HH12 ARG 64 6.480 -5.081 1.664
52 H MET 65 HN MET 65 -0.812 -6.393 -4.573
53 HA MET 65 HA MET 65 0.481 -6.747 -7.148
54 HB2 MET 65 HB3 MET 65 0.702 -8.942 -5.801
55 HB3 MET 65 HB2 MET 65 -1.041 -9.096 -6.022
56 HG2 MET 65 HG3 MET 65 0.019 -10.303 -7.824
57 HG3 MET 65 HG2 MET 65 -0.656 -8.811 -8.511
58 HE1 MET 65 HE1 MET 65 1.498 -10.428 -10.102
59 HE2 MET 65 HE2 MET 65 2.441 -9.062 -10.689
60 HE3 MET 65 HE3 MET 65 0.688 -8.925 -10.561
61 H LEU 66 HN LEU 66 -2.460 -7.340 -5.250
62 HA LEU 66 HA LEU 66 -4.069 -6.029 -7.372
63 HB2 LEU 66 HB3 LEU 66 -4.831 -8.486 -5.772
64 HB3 LEU 66 HB2 LEU 66 -5.854 -7.661 -6.942
65 HG LEU 66 HG LEU 66 -3.160 -8.885 -7.607
66 HD11 LEU 66 HD11 LEU 66 -4.618 -10.599 -8.802
67 HD12 LEU 66 HD12 LEU 66 -5.978 -9.952 -7.886
68 HD13 LEU 66 HD13 LEU 66 -4.622 -10.696 -7.041
69 HD21 LEU 66 HD21 LEU 66 -3.584 -7.267 -9.264
70 HD22 LEU 66 HD22 LEU 66 -5.328 -7.513 -9.203
71 HD23 LEU 66 HD23 LEU 66 -4.293 -8.714 -9.974
72 HA PRO 67 HA PRO 67 -4.721 -4.374 -3.034
73 HB2 PRO 67 HB3 PRO 67 -3.841 -1.818 -3.436
74 HB3 PRO 67 HB2 PRO 67 -2.742 -3.159 -2.997
75 HG2 PRO 67 HG3 PRO 67 -3.313 -1.985 -5.700
76 HG3 PRO 67 HG2 PRO 67 -1.745 -2.426 -4.967
77 HD2 PRO 67 HD3 PRO 67 -3.031 -4.050 -6.749
78 HD3 PRO 67 HD2 PRO 67 -2.019 -4.693 -5.437
79 H GLN 68 HN GLN 68 -5.520 -3.349 -6.253
80 HA GLN 68 HA GLN 68 -7.856 -1.814 -5.265
81 HB2 GLN 68 HB3 GLN 68 -6.422 -1.792 -7.927
82 HB3 GLN 68 HB2 GLN 68 -7.963 -0.960 -7.617
83 HG2 GLN 68 HG3 GLN 68 -6.953 0.414 -5.912
84 HG3 GLN 68 HG2 GLN 68 -5.454 -0.511 -5.974
85 HE21 GLN 68 HE21 GLN 68 -5.846 2.413 -6.524
86 HE22 GLN 68 HE22 GLN 68 -5.280 2.651 -8.122
87 H LEU 69 HN LEU 69 -7.916 -4.611 -5.140
88 HA LEU 69 HA LEU 69 -10.324 -5.127 -6.574
89 HB2 LEU 69 HB3 LEU 69 -8.776 -5.446 -8.443
90 HB3 LEU 69 HB2 LEU 69 -7.833 -6.585 -7.488
91 HG LEU 69 HG LEU 69 -9.789 -8.096 -7.350
92 HD11 LEU 69 HD11 LEU 69 -11.098 -5.820 -8.833
93 HD12 LEU 69 HD12 LEU 69 -11.710 -6.753 -7.468
94 HD13 LEU 69 HD13 LEU 69 -11.673 -7.470 -9.074
95 HD21 LEU 69 HD21 LEU 69 -8.950 -7.172 -10.110
96 HD22 LEU 69 HD22 LEU 69 -9.890 -8.637 -9.825
97 HD23 LEU 69 HD23 LEU 69 -8.261 -8.493 -9.164
98 H VAL 70 HN VAL 70 -7.560 -7.165 -5.474
99 HA VAL 70 HA VAL 70 -9.276 -8.999 -4.132
100 HB VAL 70 HB VAL 70 -6.316 -8.426 -3.851
101 HG11 VAL 70 HG11 VAL 70 -8.088 -10.507 -2.545
102 HG12 VAL 70 HG12 VAL 70 -6.965 -9.394 -1.761
103 HG13 VAL 70 HG13 VAL 70 -6.348 -10.737 -2.727
104 HG21 VAL 70 HG21 VAL 70 -6.060 -10.398 -5.213
105 HG22 VAL 70 HG22 VAL 70 -7.262 -9.383 -6.010
106 HG23 VAL 70 HG23 VAL 70 -7.774 -10.787 -5.072
107 H CYS 71 HN CYS 71 -7.194 -6.376 -2.955
108 HA CYS 71 HA CYS 71 -8.071 -6.538 -0.252
109 HB2 CYS 71 HB3 CYS 71 -6.673 -4.359 -1.808
110 HB3 CYS 71 HB2 CYS 71 -7.023 -4.258 -0.072
111 HG CYS 71 HG CYS 71 -5.520 -6.812 -0.827
112 H ARG 72 HN ARG 72 -8.987 -4.665 -3.091
113 HA ARG 72 HA ARG 72 -10.688 -2.842 -1.857
114 HB2 ARG 72 HB3 ARG 72 -9.932 -2.671 -4.205
115 HB3 ARG 72 HB2 ARG 72 -10.962 -4.038 -4.614
116 HG2 ARG 72 HG3 ARG 72 -12.131 -1.984 -5.185
117 HG3 ARG 72 HG2 ARG 72 -12.947 -2.732 -3.818
118 HD2 ARG 72 HD3 ARG 72 -10.791 -0.704 -3.281
119 HD3 ARG 72 HD2 ARG 72 -12.380 -0.145 -3.788
120 HE ARG 72 HE ARG 72 -12.754 -1.987 -1.705
121 HH11 ARG 72 HH21 ARG 72 -11.333 1.112 -2.306
122 HH12 ARG 72 HH22 ARG 72 -11.591 1.696 -0.696
123 HH21 ARG 72 HH11 ARG 72 -13.093 -1.226 0.412
124 HH22 ARG 72 HH12 ARG 72 -12.587 0.374 0.841
125 H LEU 73 HN LEU 73 -11.420 -6.007 -3.299
126 HA LEU 73 HA LEU 73 -14.182 -5.975 -2.661
127 HB2 LEU 73 HB3 LEU 73 -13.269 -7.440 -4.391
128 HB3 LEU 73 HB2 LEU 73 -12.332 -8.314 -3.164
129 HG LEU 73 HG LEU 73 -14.423 -9.017 -2.056
130 HD11 LEU 73 HD11 LEU 73 -16.559 -8.615 -3.550
131 HD12 LEU 73 HD12 LEU 73 -15.647 -7.236 -4.162
132 HD13 LEU 73 HD13 LEU 73 -16.030 -7.351 -2.443
133 HD21 LEU 73 HD21 LEU 73 -15.297 -10.426 -3.974
134 HD22 LEU 73 HD22 LEU 73 -13.554 -10.506 -3.726
135 HD23 LEU 73 HD23 LEU 73 -14.214 -9.519 -5.029
136 H VAL 74 HN VAL 74 -11.348 -7.357 -1.078
137 HA VAL 74 HA VAL 74 -12.688 -8.617 1.053
138 HB VAL 74 HB VAL 74 -9.866 -7.607 0.708
139 HG11 VAL 74 HG11 VAL 74 -9.431 -9.174 2.712
140 HG12 VAL 74 HG12 VAL 74 -11.164 -9.084 3.020
141 HG13 VAL 74 HG13 VAL 74 -10.184 -7.621 3.087
142 HG21 VAL 74 HG21 VAL 74 -10.852 -9.573 -0.643
143 HG22 VAL 74 HG22 VAL 74 -10.903 -10.448 0.885
144 HG23 VAL 74 HG23 VAL 74 -9.359 -9.891 0.240
145 H LEU 75 HN LEU 75 -11.142 -5.389 0.889
146 HA LEU 75 HA LEU 75 -11.697 -4.696 3.571
147 HB2 LEU 75 HB3 LEU 75 -11.262 -3.002 1.103
148 HB3 LEU 75 HB2 LEU 75 -11.469 -2.311 2.724
149 HG LEU 75 HG LEU 75 -9.359 -4.389 2.038
150 HD11 LEU 75 HD11 LEU 75 -7.786 -2.408 2.138
151 HD12 LEU 75 HD12 LEU 75 -9.206 -1.365 2.095
152 HD13 LEU 75 HD13 LEU 75 -8.853 -2.429 0.735
153 HD21 LEU 75 HD21 LEU 75 -10.050 -2.760 4.479
154 HD22 LEU 75 HD22 LEU 75 -8.362 -3.168 4.182
155 HD23 LEU 75 HD23 LEU 75 -9.553 -4.449 4.366
156 H ARG 76 HN ARG 76 -13.498 -4.209 0.567
157 HA ARG 76 HA ARG 76 -15.637 -2.761 1.721
158 HB2 ARG 76 HB3 ARG 76 -15.433 -4.434 -0.780
159 HB3 ARG 76 HB2 ARG 76 -16.900 -3.558 -0.334
160 HG2 ARG 76 HG3 ARG 76 -15.720 -1.444 -0.368
161 HG3 ARG 76 HG2 ARG 76 -14.176 -2.256 -0.606
162 HD2 ARG 76 HD3 ARG 76 -14.985 -1.385 -2.743
163 HD3 ARG 76 HD2 ARG 76 -15.004 -3.148 -2.773
164 HE ARG 76 HE ARG 76 -17.522 -2.129 -1.904
165 HH11 ARG 76 HH21 ARG 76 -15.487 -2.546 -4.673
166 HH12 ARG 76 HH22 ARG 76 -16.800 -2.628 -5.798
167 HH21 ARG 76 HH11 ARG 76 -19.249 -2.233 -3.375
168 HH22 ARG 76 HH12 ARG 76 -18.932 -2.450 -5.063
169 H CYS 77 HN CYS 77 -15.050 -6.199 1.216
170 HA CYS 77 HA CYS 77 -17.581 -7.169 1.954
171 HB2 CYS 77 HB3 CYS 77 -15.870 -8.552 0.851
172 HB3 CYS 77 HB2 CYS 77 -14.863 -8.465 2.314
173 HG CYS 77 HG CYS 77 -17.540 -9.504 3.125
174 H SER 78 HN SER 78 -14.647 -6.640 3.904
175 HA SER 78 HA SER 78 -15.717 -7.534 6.355
176 HB2 SER 78 HB3 SER 78 -13.845 -6.337 7.391
177 HB3 SER 78 HB2 SER 78 -13.300 -7.214 5.947
178 HG SER 78 HG SER 78 -13.538 -4.486 6.429
179 H MET 79 HN MET 79 -15.832 -4.423 4.718
180 HA MET 79 HA MET 79 -17.955 -3.546 6.517
181 HB2 MET 79 HB3 MET 79 -15.794 -2.813 7.586
182 HB3 MET 79 HB2 MET 79 -15.481 -1.835 6.136
183 HG2 MET 79 HG3 MET 79 -16.511 -0.405 7.795
184 HG3 MET 79 HG2 MET 79 -17.697 -0.697 6.526
185 HE1 MET 79 HE1 MET 79 -19.582 -0.332 9.890
186 HE2 MET 79 HE2 MET 79 -20.020 -0.232 8.186
187 HE3 MET 79 HE3 MET 79 -18.541 0.540 8.754
188 H ASP 80 HN ASP 80 -19.388 -2.214 5.520
189 HA ASP 80 HA ASP 80 -19.007 -1.753 2.658
190 HB2 ASP 80 HB3 ASP 80 -21.370 -1.184 2.645
191 HB3 ASP 80 HB2 ASP 80 -21.137 -2.694 3.522
Start of MODEL 6
1 H1 ASP 59 HT1 ASP 59 0.106 -3.352 3.307
2 H2 ASP 59 HT2 ASP 59 -1.371 -4.076 2.878
3 H3 ASP 59 HT3 ASP 59 0.096 -4.839 2.489
4 HA ASP 59 HA ASP 59 0.306 -4.537 5.166
5 HB2 ASP 59 HB3 ASP 59 -2.567 -5.067 4.369
6 HB3 ASP 59 HB2 ASP 59 -1.909 -5.541 5.948
7 H THR 60 HN THR 60 -0.230 -6.205 2.295
8 HA THR 60 HA THR 60 0.929 -8.651 3.398
9 HB THR 60 HB THR 60 -0.771 -10.103 2.417
10 HG1 THR 60 HG1 THR 60 -1.874 -7.623 1.643
11 HG21 THR 60 HG21 THR 60 -2.167 -8.003 4.087
12 HG22 THR 60 HG22 THR 60 -1.037 -9.176 4.765
13 HG23 THR 60 HG23 THR 60 -2.528 -9.727 4.001
14 H LEU 61 HN LEU 61 1.602 -10.149 1.666
15 HA LEU 61 HA LEU 61 2.970 -8.777 -0.399
16 HB2 LEU 61 HB3 LEU 61 2.419 -11.695 0.133
17 HB3 LEU 61 HB2 LEU 61 3.283 -11.174 -1.313
18 HG LEU 61 HG LEU 61 4.903 -9.953 0.169
19 HD11 LEU 61 HD11 LEU 61 4.895 -10.805 2.596
20 HD12 LEU 61 HD12 LEU 61 3.231 -11.300 2.296
21 HD13 LEU 61 HD13 LEU 61 3.680 -9.598 2.179
22 HD21 LEU 61 HD21 LEU 61 5.484 -12.153 -0.686
23 HD22 LEU 61 HD22 LEU 61 4.552 -12.937 0.591
24 HD23 LEU 61 HD23 LEU 61 6.022 -12.044 0.990
25 H LEU 62 HN LEU 62 -0.036 -10.637 -0.329
26 HA LEU 62 HA LEU 62 -0.518 -10.599 -3.116
27 HB2 LEU 62 HB3 LEU 62 -1.691 -12.122 -1.587
28 HB3 LEU 62 HB2 LEU 62 -2.483 -10.747 -0.821
29 HG LEU 62 HG LEU 62 -3.574 -10.174 -2.965
30 HD11 LEU 62 HD11 LEU 62 -2.178 -10.911 -4.696
31 HD12 LEU 62 HD12 LEU 62 -3.437 -12.140 -4.720
32 HD13 LEU 62 HD13 LEU 62 -1.893 -12.479 -3.940
33 HD21 LEU 62 HD21 LEU 62 -4.857 -11.577 -1.526
34 HD22 LEU 62 HD22 LEU 62 -3.883 -12.993 -1.918
35 HD23 LEU 62 HD23 LEU 62 -4.972 -12.314 -3.124
36 H GLY 63 HN GLY 63 -1.468 -8.423 -0.478
37 HA2 GLY 63 HA3 GLY 63 -3.134 -6.706 -1.952
38 HA3 GLY 63 HA2 GLY 63 -2.237 -6.257 -0.487
39 H ARG 64 HN ARG 64 0.286 -7.150 -1.940
40 HA ARG 64 HA ARG 64 0.837 -4.567 -3.180
41 HB2 ARG 64 HB3 ARG 64 2.616 -6.901 -2.451
42 HB3 ARG 64 HB2 ARG 64 3.194 -5.449 -3.265
43 HG2 ARG 64 HG3 ARG 64 2.445 -4.062 -1.398
44 HG3 ARG 64 HG2 ARG 64 1.763 -5.474 -0.592
45 HD2 ARG 64 HD3 ARG 64 3.957 -4.953 0.363
46 HD3 ARG 64 HD2 ARG 64 4.021 -6.490 -0.494
47 HE ARG 64 HE ARG 64 5.454 -5.512 -2.056
48 HH11 ARG 64 HH21 ARG 64 3.972 -3.138 -0.020
49 HH12 ARG 64 HH22 ARG 64 4.974 -1.839 -0.572
50 HH21 ARG 64 HH11 ARG 64 6.770 -3.812 -2.786
51 HH22 ARG 64 HH12 ARG 64 6.558 -2.219 -2.139
52 H MET 65 HN MET 65 -0.952 -6.435 -4.472
53 HA MET 65 HA MET 65 0.328 -6.496 -7.091
54 HB2 MET 65 HB3 MET 65 0.868 -8.705 -6.021
55 HB3 MET 65 HB2 MET 65 -0.864 -9.024 -5.934
56 HG2 MET 65 HG3 MET 65 -1.057 -8.823 -8.368
57 HG3 MET 65 HG2 MET 65 0.669 -8.416 -8.486
58 HE1 MET 65 HE1 MET 65 1.002 -10.304 -10.239
59 HE2 MET 65 HE2 MET 65 -0.720 -10.658 -10.131
60 HE3 MET 65 HE3 MET 65 0.451 -11.971 -10.032
61 H LEU 66 HN LEU 66 -2.525 -7.273 -5.129
62 HA LEU 66 HA LEU 66 -4.261 -6.171 -7.271
63 HB2 LEU 66 HB3 LEU 66 -4.831 -8.574 -5.515
64 HB3 LEU 66 HB2 LEU 66 -5.929 -7.883 -6.704
65 HG LEU 66 HG LEU 66 -3.180 -8.980 -7.363
66 HD11 LEU 66 HD11 LEU 66 -4.433 -10.899 -8.332
67 HD12 LEU 66 HD12 LEU 66 -5.926 -10.232 -7.671
68 HD13 LEU 66 HD13 LEU 66 -4.647 -10.778 -6.585
69 HD21 LEU 66 HD21 LEU 66 -4.368 -9.016 -9.708
70 HD22 LEU 66 HD22 LEU 66 -3.739 -7.488 -9.100
71 HD23 LEU 66 HD23 LEU 66 -5.463 -7.838 -8.982
72 HA PRO 67 HA PRO 67 -4.908 -4.331 -3.009
73 HB2 PRO 67 HB3 PRO 67 -4.166 -1.751 -3.564
74 HB3 PRO 67 HB2 PRO 67 -3.002 -3.004 -3.044
75 HG2 PRO 67 HG3 PRO 67 -3.620 -2.021 -5.812
76 HG3 PRO 67 HG2 PRO 67 -2.036 -2.357 -5.056
77 HD2 PRO 67 HD3 PRO 67 -3.255 -4.130 -6.745
78 HD3 PRO 67 HD2 PRO 67 -2.218 -4.655 -5.398
79 H GLN 68 HN GLN 68 -5.676 -3.255 -6.262
80 HA GLN 68 HA GLN 68 -8.157 -1.965 -5.283
81 HB2 GLN 68 HB3 GLN 68 -6.520 -0.686 -6.754
82 HB3 GLN 68 HB2 GLN 68 -7.005 -1.779 -8.066
83 HG2 GLN 68 HG3 GLN 68 -9.326 -1.063 -7.853
84 HG3 GLN 68 HG2 GLN 68 -8.934 -0.089 -6.439
85 HE21 GLN 68 HE21 GLN 68 -10.073 1.431 -8.298
86 HE22 GLN 68 HE22 GLN 68 -8.933 2.321 -9.215
87 H LEU 69 HN LEU 69 -8.198 -4.647 -5.126
88 HA LEU 69 HA LEU 69 -10.405 -5.322 -6.778
89 HB2 LEU 69 HB3 LEU 69 -8.682 -5.632 -8.479
90 HB3 LEU 69 HB2 LEU 69 -7.777 -6.684 -7.401
91 HG LEU 69 HG LEU 69 -9.657 -8.295 -7.387
92 HD11 LEU 69 HD11 LEU 69 -11.406 -7.830 -9.290
93 HD12 LEU 69 HD12 LEU 69 -10.935 -6.144 -9.073
94 HD13 LEU 69 HD13 LEU 69 -11.620 -7.052 -7.725
95 HD21 LEU 69 HD21 LEU 69 -9.330 -9.125 -9.630
96 HD22 LEU 69 HD22 LEU 69 -7.823 -8.361 -9.125
97 HD23 LEU 69 HD23 LEU 69 -8.916 -7.515 -10.220
98 H VAL 70 HN VAL 70 -7.730 -7.341 -5.459
99 HA VAL 70 HA VAL 70 -9.569 -9.085 -4.154
100 HB VAL 70 HB VAL 70 -6.599 -8.652 -3.772
101 HG11 VAL 70 HG11 VAL 70 -6.809 -10.963 -2.647
102 HG12 VAL 70 HG12 VAL 70 -8.530 -10.614 -2.512
103 HG13 VAL 70 HG13 VAL 70 -7.356 -9.575 -1.707
104 HG21 VAL 70 HG21 VAL 70 -7.394 -9.567 -5.965
105 HG22 VAL 70 HG22 VAL 70 -8.181 -10.883 -5.092
106 HG23 VAL 70 HG23 VAL 70 -6.425 -10.727 -5.055
107 H CYS 71 HN CYS 71 -7.402 -6.557 -2.940
108 HA CYS 71 HA CYS 71 -8.328 -6.655 -0.264
109 HB2 CYS 71 HB3 CYS 71 -6.853 -4.534 -1.820
110 HB3 CYS 71 HB2 CYS 71 -7.223 -4.401 -0.091
111 HG CYS 71 HG CYS 71 -5.765 -6.995 -0.844
112 H ARG 72 HN ARG 72 -9.173 -4.812 -3.134
113 HA ARG 72 HA ARG 72 -10.831 -2.912 -1.966
114 HB2 ARG 72 HB3 ARG 72 -10.083 -2.831 -4.311
115 HB3 ARG 72 HB2 ARG 72 -11.116 -4.205 -4.681
116 HG2 ARG 72 HG3 ARG 72 -12.268 -2.170 -5.337
117 HG3 ARG 72 HG2 ARG 72 -13.100 -2.852 -3.947
118 HD2 ARG 72 HD3 ARG 72 -10.932 -0.817 -3.493
119 HD3 ARG 72 HD2 ARG 72 -12.525 -0.276 -4.009
120 HE ARG 72 HE ARG 72 -12.865 -2.043 -1.847
121 HH11 ARG 72 HH21 ARG 72 -11.520 1.054 -2.604
122 HH12 ARG 72 HH22 ARG 72 -11.780 1.709 -1.022
123 HH21 ARG 72 HH11 ARG 72 -13.208 -1.190 0.234
124 HH22 ARG 72 HH12 ARG 72 -12.736 0.438 0.584
125 H LEU 73 HN LEU 73 -11.669 -6.097 -3.328
126 HA LEU 73 HA LEU 73 -14.429 -5.951 -2.662
127 HB2 LEU 73 HB3 LEU 73 -12.604 -8.297 -3.236
128 HB3 LEU 73 HB2 LEU 73 -14.355 -8.453 -2.999
129 HG LEU 73 HG LEU 73 -13.074 -6.648 -5.082
130 HD11 LEU 73 HD11 LEU 73 -12.549 -8.980 -5.585
131 HD12 LEU 73 HD12 LEU 73 -13.785 -8.404 -6.704
132 HD13 LEU 73 HD13 LEU 73 -14.235 -9.438 -5.350
133 HD21 LEU 73 HD21 LEU 73 -15.904 -7.368 -4.332
134 HD22 LEU 73 HD22 LEU 73 -15.535 -7.046 -6.026
135 HD23 LEU 73 HD23 LEU 73 -15.236 -5.809 -4.813
136 H VAL 74 HN VAL 74 -11.612 -7.332 -1.056
137 HA VAL 74 HA VAL 74 -12.982 -8.549 1.090
138 HB VAL 74 HB VAL 74 -10.145 -7.585 0.743
139 HG11 VAL 74 HG11 VAL 74 -11.476 -9.003 3.071
140 HG12 VAL 74 HG12 VAL 74 -10.479 -7.550 3.119
141 HG13 VAL 74 HG13 VAL 74 -9.740 -9.116 2.778
142 HG21 VAL 74 HG21 VAL 74 -11.225 -10.405 0.963
143 HG22 VAL 74 HG22 VAL 74 -9.665 -9.885 0.327
144 HG23 VAL 74 HG23 VAL 74 -11.141 -9.558 -0.581
145 H LEU 75 HN LEU 75 -11.374 -5.356 0.870
146 HA LEU 75 HA LEU 75 -11.938 -4.590 3.530
147 HB2 LEU 75 HB3 LEU 75 -11.457 -2.960 1.028
148 HB3 LEU 75 HB2 LEU 75 -11.651 -2.232 2.635
149 HG LEU 75 HG LEU 75 -9.587 -4.367 1.987
150 HD11 LEU 75 HD11 LEU 75 -9.348 -1.346 2.037
151 HD12 LEU 75 HD12 LEU 75 -9.065 -2.412 0.660
152 HD13 LEU 75 HD13 LEU 75 -7.966 -2.441 2.039
153 HD21 LEU 75 HD21 LEU 75 -8.569 -3.140 4.119
154 HD22 LEU 75 HD22 LEU 75 -9.787 -4.391 4.315
155 HD23 LEU 75 HD23 LEU 75 -10.250 -2.694 4.406
156 H ARG 76 HN ARG 76 -13.703 -4.123 0.501
157 HA ARG 76 HA ARG 76 -15.818 -2.607 1.609
158 HB2 ARG 76 HB3 ARG 76 -15.626 -4.324 -0.861
159 HB3 ARG 76 HB2 ARG 76 -17.079 -3.414 -0.446
160 HG2 ARG 76 HG3 ARG 76 -15.810 -1.323 -0.449
161 HG3 ARG 76 HG2 ARG 76 -14.318 -2.202 -0.773
162 HD2 ARG 76 HD3 ARG 76 -15.235 -2.987 -2.918
163 HD3 ARG 76 HD2 ARG 76 -16.745 -2.143 -2.588
164 HE ARG 76 HE ARG 76 -14.644 -0.279 -2.426
165 HH11 ARG 76 HH21 ARG 76 -16.248 -2.324 -4.711
166 HH12 ARG 76 HH22 ARG 76 -15.941 -1.285 -6.063
167 HH21 ARG 76 HH11 ARG 76 -14.239 1.088 -4.195
168 HH22 ARG 76 HH12 ARG 76 -14.804 0.646 -5.770
169 H CYS 77 HN CYS 77 -15.316 -6.068 1.174
170 HA CYS 77 HA CYS 77 -17.880 -6.952 1.910
171 HB2 CYS 77 HB3 CYS 77 -16.205 -8.403 0.841
172 HB3 CYS 77 HB2 CYS 77 -15.205 -8.321 2.307
173 HG CYS 77 HG CYS 77 -17.922 -9.266 3.112
174 H SER 78 HN SER 78 -14.944 -6.476 3.868
175 HA SER 78 HA SER 78 -16.031 -7.310 6.326
176 HB2 SER 78 HB3 SER 78 -13.621 -7.030 5.985
177 HB3 SER 78 HB2 SER 78 -13.845 -5.281 5.786
178 HG SER 78 HG SER 78 -13.453 -6.583 8.016
179 H MET 79 HN MET 79 -15.848 -4.090 4.833
180 HA MET 79 HA MET 79 -18.169 -3.232 6.367
181 HB2 MET 79 HB3 MET 79 -17.062 -1.255 7.309
182 HB3 MET 79 HB2 MET 79 -16.297 -2.745 7.902
183 HG2 MET 79 HG3 MET 79 -14.553 -2.504 6.135
184 HG3 MET 79 HG2 MET 79 -15.283 -0.975 5.650
185 HE1 MET 79 HE1 MET 79 -12.054 -1.210 6.790
186 HE2 MET 79 HE2 MET 79 -12.255 0.488 7.209
187 HE3 MET 79 HE3 MET 79 -13.049 -0.158 5.773
188 H ASP 80 HN ASP 80 -18.962 -1.115 5.656
189 HA ASP 80 HA ASP 80 -18.549 -0.775 2.780
190 HB2 ASP 80 HB3 ASP 80 -20.551 0.340 4.747
191 HB3 ASP 80 HB2 ASP 80 -20.466 0.872 3.070
Start of MODEL 7
1 H1 ASP 59 HT1 ASP 59 -1.939 -5.690 5.047
2 H2 ASP 59 HT2 ASP 59 -2.153 -4.013 4.893
3 H3 ASP 59 HT3 ASP 59 -0.844 -4.626 5.787
4 HA ASP 59 HA ASP 59 -1.220 -4.497 2.877
5 HB2 ASP 59 HB3 ASP 59 1.165 -4.090 4.710
6 HB3 ASP 59 HB2 ASP 59 1.114 -3.749 2.969
7 H THR 60 HN THR 60 -1.743 -6.748 2.588
8 HA THR 60 HA THR 60 0.161 -8.769 3.421
9 HB THR 60 HB THR 60 -1.338 -10.331 2.294
10 HG1 THR 60 HG1 THR 60 -3.309 -8.718 1.596
11 HG21 THR 60 HG21 THR 60 -3.021 -8.263 3.721
12 HG22 THR 60 HG22 THR 60 -1.903 -9.333 4.568
13 HG23 THR 60 HG23 THR 60 -3.265 -10.009 3.674
14 H LEU 61 HN LEU 61 1.057 -10.292 1.803
15 HA LEU 61 HA LEU 61 2.647 -8.921 -0.095
16 HB2 LEU 61 HB3 LEU 61 2.031 -11.864 0.260
17 HB3 LEU 61 HB2 LEU 61 3.212 -11.252 -0.893
18 HG LEU 61 HG LEU 61 3.292 -10.664 2.083
19 HD11 LEU 61 HD11 LEU 61 3.599 -13.055 1.729
20 HD12 LEU 61 HD12 LEU 61 5.155 -12.328 2.120
21 HD13 LEU 61 HD13 LEU 61 4.775 -12.747 0.450
22 HD21 LEU 61 HD21 LEU 61 5.060 -10.004 -0.268
23 HD22 LEU 61 HD22 LEU 61 5.809 -10.270 1.305
24 HD23 LEU 61 HD23 LEU 61 4.608 -9.000 1.106
25 H LEU 62 HN LEU 62 -0.317 -10.831 -0.369
26 HA LEU 62 HA LEU 62 -0.451 -10.831 -3.196
27 HB2 LEU 62 HB3 LEU 62 -1.789 -12.357 -1.815
28 HB3 LEU 62 HB2 LEU 62 -2.679 -10.987 -1.157
29 HG LEU 62 HG LEU 62 -3.515 -10.434 -3.417
30 HD11 LEU 62 HD11 LEU 62 -1.701 -12.716 -4.178
31 HD12 LEU 62 HD12 LEU 62 -1.912 -11.151 -4.960
32 HD13 LEU 62 HD13 LEU 62 -3.143 -12.393 -5.140
33 HD21 LEU 62 HD21 LEU 62 -4.653 -12.114 -1.859
34 HD22 LEU 62 HD22 LEU 62 -3.958 -13.377 -2.873
35 HD23 LEU 62 HD23 LEU 62 -5.096 -12.221 -3.564
36 H GLY 63 HN GLY 63 -1.762 -8.654 -0.721
37 HA2 GLY 63 HA3 GLY 63 -3.230 -6.968 -2.431
38 HA3 GLY 63 HA2 GLY 63 -2.557 -6.498 -0.854
39 H ARG 64 HN ARG 64 0.143 -7.406 -1.933
40 HA ARG 64 HA ARG 64 0.962 -4.826 -2.888
41 HB2 ARG 64 HB3 ARG 64 2.290 -6.483 -1.383
42 HB3 ARG 64 HB2 ARG 64 2.716 -7.275 -2.898
43 HG2 ARG 64 HG3 ARG 64 3.709 -5.223 -3.751
44 HG3 ARG 64 HG2 ARG 64 3.168 -4.329 -2.331
45 HD2 ARG 64 HD3 ARG 64 5.087 -6.672 -2.273
46 HD3 ARG 64 HD2 ARG 64 5.561 -4.979 -2.172
47 HE ARG 64 HE ARG 64 3.670 -5.417 -0.163
48 HH11 ARG 64 HH21 ARG 64 6.815 -6.517 -1.099
49 HH12 ARG 64 HH22 ARG 64 7.336 -6.840 0.521
50 HH21 ARG 64 HH11 ARG 64 4.348 -5.837 1.965
51 HH22 ARG 64 HH12 ARG 64 5.939 -6.454 2.255
52 H MET 65 HN MET 65 -0.895 -6.527 -4.502
53 HA MET 65 HA MET 65 0.429 -6.112 -7.063
54 HB2 MET 65 HB3 MET 65 1.088 -8.420 -6.484
55 HB3 MET 65 HB2 MET 65 -0.613 -8.851 -6.306
56 HG2 MET 65 HG3 MET 65 -1.050 -8.349 -8.643
57 HG3 MET 65 HG2 MET 65 0.596 -7.718 -8.849
58 HE1 MET 65 HE1 MET 65 -0.836 -12.028 -8.416
59 HE2 MET 65 HE2 MET 65 -1.723 -10.527 -8.167
60 HE3 MET 65 HE3 MET 65 -0.638 -11.119 -6.914
61 H LEU 66 HN LEU 66 -2.447 -7.118 -5.261
62 HA LEU 66 HA LEU 66 -4.137 -5.847 -7.344
63 HB2 LEU 66 HB3 LEU 66 -4.792 -8.343 -5.757
64 HB3 LEU 66 HB2 LEU 66 -5.846 -7.549 -6.921
65 HG LEU 66 HG LEU 66 -3.117 -8.688 -7.592
66 HD11 LEU 66 HD11 LEU 66 -4.395 -10.502 -8.699
67 HD12 LEU 66 HD12 LEU 66 -5.892 -9.819 -8.070
68 HD13 LEU 66 HD13 LEU 66 -4.686 -10.470 -6.960
69 HD21 LEU 66 HD21 LEU 66 -4.243 -8.524 -9.959
70 HD22 LEU 66 HD22 LEU 66 -3.584 -7.062 -9.234
71 HD23 LEU 66 HD23 LEU 66 -5.321 -7.365 -9.182
72 HA PRO 67 HA PRO 67 -4.823 -4.278 -2.975
73 HB2 PRO 67 HB3 PRO 67 -4.038 -1.683 -3.357
74 HB3 PRO 67 HB2 PRO 67 -2.897 -2.983 -2.905
75 HG2 PRO 67 HG3 PRO 67 -3.469 -1.819 -5.613
76 HG3 PRO 67 HG2 PRO 67 -1.898 -2.216 -4.859
77 HD2 PRO 67 HD3 PRO 67 -3.102 -3.871 -6.669
78 HD3 PRO 67 HD2 PRO 67 -2.098 -4.485 -5.337
79 H GLN 68 HN GLN 68 -5.622 -3.270 -6.191
80 HA GLN 68 HA GLN 68 -8.030 -1.822 -5.243
81 HB2 GLN 68 HB3 GLN 68 -6.754 -1.860 -7.993
82 HB3 GLN 68 HB2 GLN 68 -8.162 -0.897 -7.499
83 HG2 GLN 68 HG3 GLN 68 -5.378 -0.679 -6.309
84 HG3 GLN 68 HG2 GLN 68 -6.087 0.451 -7.458
85 HE21 GLN 68 HE21 GLN 68 -5.485 0.139 -4.222
86 HE22 GLN 68 HE22 GLN 68 -6.783 1.069 -3.600
87 H LEU 69 HN LEU 69 -8.010 -4.595 -5.017
88 HA LEU 69 HA LEU 69 -10.371 -5.243 -6.473
89 HB2 LEU 69 HB3 LEU 69 -8.277 -5.578 -8.086
90 HB3 LEU 69 HB2 LEU 69 -8.121 -7.095 -7.208
91 HG LEU 69 HG LEU 69 -10.664 -6.162 -8.581
92 HD11 LEU 69 HD11 LEU 69 -8.586 -8.199 -9.434
93 HD12 LEU 69 HD12 LEU 69 -8.898 -6.649 -10.215
94 HD13 LEU 69 HD13 LEU 69 -10.126 -7.915 -10.246
95 HD21 LEU 69 HD21 LEU 69 -11.199 -8.653 -8.261
96 HD22 LEU 69 HD22 LEU 69 -11.224 -7.657 -6.805
97 HD23 LEU 69 HD23 LEU 69 -9.837 -8.692 -7.139
98 H VAL 70 HN VAL 70 -7.602 -7.226 -5.276
99 HA VAL 70 HA VAL 70 -9.330 -9.007 -3.885
100 HB VAL 70 HB VAL 70 -6.374 -8.428 -3.582
101 HG11 VAL 70 HG11 VAL 70 -8.174 -10.460 -2.238
102 HG12 VAL 70 HG12 VAL 70 -7.051 -9.334 -1.476
103 HG13 VAL 70 HG13 VAL 70 -6.435 -10.709 -2.393
104 HG21 VAL 70 HG21 VAL 70 -7.852 -10.787 -4.792
105 HG22 VAL 70 HG22 VAL 70 -6.115 -10.492 -4.841
106 HG23 VAL 70 HG23 VAL 70 -7.213 -9.439 -5.732
107 H CYS 71 HN CYS 71 -7.249 -6.358 -2.777
108 HA CYS 71 HA CYS 71 -8.125 -6.431 -0.079
109 HB2 CYS 71 HB3 CYS 71 -6.750 -4.295 -1.711
110 HB3 CYS 71 HB2 CYS 71 -7.096 -4.134 0.021
111 HG CYS 71 HG CYS 71 -5.569 -6.699 -0.674
112 H ARG 72 HN ARG 72 -9.074 -4.672 -2.969
113 HA ARG 72 HA ARG 72 -10.799 -2.824 -1.798
114 HB2 ARG 72 HB3 ARG 72 -10.038 -2.728 -4.149
115 HB3 ARG 72 HB2 ARG 72 -11.045 -4.123 -4.514
116 HG2 ARG 72 HG3 ARG 72 -12.251 -2.122 -5.168
117 HG3 ARG 72 HG2 ARG 72 -13.053 -2.809 -3.761
118 HD2 ARG 72 HD3 ARG 72 -10.921 -0.729 -3.343
119 HD3 ARG 72 HD2 ARG 72 -12.523 -0.221 -3.859
120 HE ARG 72 HE ARG 72 -12.848 -1.964 -1.686
121 HH11 ARG 72 HH21 ARG 72 -11.479 1.121 -2.449
122 HH12 ARG 72 HH22 ARG 72 -11.732 1.779 -0.867
123 HH21 ARG 72 HH11 ARG 72 -13.182 -1.107 0.392
124 HH22 ARG 72 HH12 ARG 72 -12.697 0.518 0.740
125 H LEU 73 HN LEU 73 -11.515 -6.042 -3.147
126 HA LEU 73 HA LEU 73 -14.280 -5.993 -2.477
127 HB2 LEU 73 HB3 LEU 73 -12.374 -8.275 -3.051
128 HB3 LEU 73 HB2 LEU 73 -14.118 -8.492 -2.806
129 HG LEU 73 HG LEU 73 -12.912 -6.651 -4.902
130 HD11 LEU 73 HD11 LEU 73 -14.077 -9.431 -5.248
131 HD12 LEU 73 HD12 LEU 73 -12.355 -9.051 -5.291
132 HD13 LEU 73 HD13 LEU 73 -13.434 -8.399 -6.524
133 HD21 LEU 73 HD21 LEU 73 -15.711 -7.459 -4.128
134 HD22 LEU 73 HD22 LEU 73 -15.365 -7.138 -5.826
135 HD23 LEU 73 HD23 LEU 73 -15.098 -5.882 -4.625
136 H VAL 74 HN VAL 74 -11.406 -7.267 -0.876
137 HA VAL 74 HA VAL 74 -12.726 -8.519 1.283
138 HB VAL 74 HB VAL 74 -9.925 -7.453 0.920
139 HG11 VAL 74 HG11 VAL 74 -9.461 -8.941 2.972
140 HG12 VAL 74 HG12 VAL 74 -11.200 -8.896 3.267
141 HG13 VAL 74 HG13 VAL 74 -10.263 -7.403 3.298
142 HG21 VAL 74 HG21 VAL 74 -9.362 -9.731 0.513
143 HG22 VAL 74 HG22 VAL 74 -10.870 -9.488 -0.371
144 HG23 VAL 74 HG23 VAL 74 -10.885 -10.313 1.186
145 H LEU 75 HN LEU 75 -11.217 -5.283 1.036
146 HA LEU 75 HA LEU 75 -11.850 -4.496 3.678
147 HB2 LEU 75 HB3 LEU 75 -11.352 -2.890 1.161
148 HB3 LEU 75 HB2 LEU 75 -11.596 -2.147 2.752
149 HG LEU 75 HG LEU 75 -9.470 -4.241 2.177
150 HD11 LEU 75 HD11 LEU 75 -9.129 -2.161 0.846
151 HD12 LEU 75 HD12 LEU 75 -7.874 -2.396 2.062
152 HD13 LEU 75 HD13 LEU 75 -9.166 -1.228 2.344
153 HD21 LEU 75 HD21 LEU 75 -8.523 -2.963 4.309
154 HD22 LEU 75 HD22 LEU 75 -9.718 -4.236 4.501
155 HD23 LEU 75 HD23 LEU 75 -10.217 -2.546 4.557
156 H ARG 76 HN ARG 76 -13.556 -4.164 0.606
157 HA ARG 76 HA ARG 76 -15.729 -2.656 1.595
158 HB2 ARG 76 HB3 ARG 76 -15.452 -4.509 -0.774
159 HB3 ARG 76 HB2 ARG 76 -16.924 -3.600 -0.449
160 HG2 ARG 76 HG3 ARG 76 -14.266 -2.182 -0.584
161 HG3 ARG 76 HG2 ARG 76 -15.132 -2.579 -2.066
162 HD2 ARG 76 HD3 ARG 76 -16.243 -0.932 0.233
163 HD3 ARG 76 HD2 ARG 76 -15.679 -0.300 -1.304
164 HE ARG 76 HE ARG 76 -18.189 -1.675 -0.817
165 HH11 ARG 76 HH21 ARG 76 -15.790 -0.678 -3.102
166 HH12 ARG 76 HH22 ARG 76 -16.866 -0.723 -4.459
167 HH21 ARG 76 HH11 ARG 76 -19.604 -1.737 -2.591
168 HH22 ARG 76 HH12 ARG 76 -19.025 -1.324 -4.169
169 H CYS 77 HN CYS 77 -15.132 -6.113 1.328
170 HA CYS 77 HA CYS 77 -17.685 -7.035 2.049
171 HB2 CYS 77 HB3 CYS 77 -15.943 -8.484 1.086
172 HB3 CYS 77 HB2 CYS 77 -14.981 -8.306 2.568
173 HG CYS 77 HG CYS 77 -17.698 -9.298 3.335
174 H SER 78 HN SER 78 -14.806 -6.389 4.045
175 HA SER 78 HA SER 78 -15.947 -7.123 6.518
176 HB2 SER 78 HB3 SER 78 -13.721 -5.180 5.862
177 HB3 SER 78 HB2 SER 78 -14.134 -5.706 7.506
178 HG SER 78 HG SER 78 -13.897 -7.910 6.543
179 H MET 79 HN MET 79 -15.840 -4.036 4.785
180 HA MET 79 HA MET 79 -18.131 -3.084 6.320
181 HB2 MET 79 HB3 MET 79 -16.179 -2.389 7.682
182 HB3 MET 79 HB2 MET 79 -15.528 -1.530 6.269
183 HG2 MET 79 HG3 MET 79 -17.502 -0.085 6.202
184 HG3 MET 79 HG2 MET 79 -18.233 -0.979 7.536
185 HE1 MET 79 HE1 MET 79 -18.387 1.420 9.224
186 HE2 MET 79 HE2 MET 79 -18.239 1.767 7.503
187 HE3 MET 79 HE3 MET 79 -17.231 2.634 8.660
188 H ASP 80 HN ASP 80 -19.393 -1.711 5.162
189 HA ASP 80 HA ASP 80 -18.346 -0.374 2.784
190 HB2 ASP 80 HB3 ASP 80 -19.984 -1.355 1.281
191 HB3 ASP 80 HB2 ASP 80 -19.007 -2.636 1.996
Start of MODEL 8
1 H1 ASP 59 HT1 ASP 59 2.663 -9.356 5.761
2 H2 ASP 59 HT2 ASP 59 2.389 -8.009 6.760
3 H3 ASP 59 HT3 ASP 59 3.136 -7.809 5.248
4 HA ASP 59 HA ASP 59 0.318 -8.191 5.903
5 HB2 ASP 59 HB3 ASP 59 0.051 -6.602 4.061
6 HB3 ASP 59 HB2 ASP 59 1.282 -6.006 5.193
7 H THR 60 HN THR 60 -0.855 -8.364 3.524
8 HA THR 60 HA THR 60 -0.305 -11.095 2.708
9 HB THR 60 HB THR 60 -2.616 -10.530 2.996
10 HG1 THR 60 HG1 THR 60 -3.312 -10.747 0.718
11 HG21 THR 60 HG21 THR 60 -3.559 -8.743 1.330
12 HG22 THR 60 HG22 THR 60 -1.899 -8.153 1.298
13 HG23 THR 60 HG23 THR 60 -2.788 -8.204 2.820
14 H LEU 61 HN LEU 61 0.332 -11.771 0.714
15 HA LEU 61 HA LEU 61 2.092 -10.111 -0.751
16 HB2 LEU 61 HB3 LEU 61 0.898 -12.829 -1.284
17 HB3 LEU 61 HB2 LEU 61 1.960 -12.046 -2.451
18 HG LEU 61 HG LEU 61 3.680 -11.809 -0.626
19 HD11 LEU 61 HD11 LEU 61 2.412 -11.943 1.381
20 HD12 LEU 61 HD12 LEU 61 3.310 -13.457 1.317
21 HD13 LEU 61 HD13 LEU 61 1.606 -13.425 0.866
22 HD21 LEU 61 HD21 LEU 61 2.731 -14.626 -1.229
23 HD22 LEU 61 HD22 LEU 61 4.351 -14.182 -0.696
24 HD23 LEU 61 HD23 LEU 61 3.764 -13.649 -2.270
25 H LEU 62 HN LEU 62 -1.260 -11.098 -1.291
26 HA LEU 62 HA LEU 62 -1.520 -10.085 -3.914
27 HB2 LEU 62 HB3 LEU 62 -3.568 -10.452 -1.729
28 HB3 LEU 62 HB2 LEU 62 -3.966 -10.032 -3.392
29 HG LEU 62 HG LEU 62 -2.420 -12.507 -2.566
30 HD11 LEU 62 HD11 LEU 62 -5.263 -12.365 -3.582
31 HD12 LEU 62 HD12 LEU 62 -4.872 -12.381 -1.862
32 HD13 LEU 62 HD13 LEU 62 -4.433 -13.752 -2.879
33 HD21 LEU 62 HD21 LEU 62 -1.795 -12.199 -4.781
34 HD22 LEU 62 HD22 LEU 62 -3.272 -11.332 -5.198
35 HD23 LEU 62 HD23 LEU 62 -3.293 -13.087 -5.032
36 H GLY 63 HN GLY 63 -1.951 -8.585 -0.754
37 HA2 GLY 63 HA3 GLY 63 -3.122 -6.180 -1.591
38 HA3 GLY 63 HA2 GLY 63 -2.077 -6.349 -0.162
39 H ARG 64 HN ARG 64 -0.044 -7.519 -2.144
40 HA ARG 64 HA ARG 64 1.067 -4.932 -3.033
41 HB2 ARG 64 HB3 ARG 64 2.298 -6.481 -1.330
42 HB3 ARG 64 HB2 ARG 64 2.666 -7.471 -2.742
43 HG2 ARG 64 HG3 ARG 64 3.615 -5.411 -3.846
44 HG3 ARG 64 HG2 ARG 64 3.393 -4.557 -2.321
45 HD2 ARG 64 HD3 ARG 64 5.056 -7.062 -2.699
46 HD3 ARG 64 HD2 ARG 64 5.698 -5.430 -2.543
47 HE ARG 64 HE ARG 64 4.579 -7.075 -0.407
48 HH11 ARG 64 HH21 ARG 64 5.574 -3.949 -1.515
49 HH12 ARG 64 HH22 ARG 64 5.790 -3.303 0.077
50 HH21 ARG 64 HH11 ARG 64 4.859 -6.233 1.681
51 HH22 ARG 64 HH12 ARG 64 5.385 -4.594 1.886
52 H MET 65 HN MET 65 -0.936 -6.622 -4.447
53 HA MET 65 HA MET 65 0.438 -6.686 -7.016
54 HB2 MET 65 HB3 MET 65 0.815 -8.958 -6.031
55 HB3 MET 65 HB2 MET 65 -0.935 -9.179 -5.993
56 HG2 MET 65 HG3 MET 65 -1.041 -8.823 -8.434
57 HG3 MET 65 HG2 MET 65 0.720 -8.609 -8.475
58 HE1 MET 65 HE1 MET 65 2.370 -10.123 -7.863
59 HE2 MET 65 HE2 MET 65 2.289 -11.881 -7.903
60 HE3 MET 65 HE3 MET 65 1.844 -11.020 -6.432
61 H LEU 66 HN LEU 66 -2.545 -7.405 -5.227
62 HA LEU 66 HA LEU 66 -4.115 -6.117 -7.389
63 HB2 LEU 66 HB3 LEU 66 -4.908 -8.543 -5.759
64 HB3 LEU 66 HB2 LEU 66 -5.898 -7.747 -6.976
65 HG LEU 66 HG LEU 66 -3.192 -8.995 -7.527
66 HD11 LEU 66 HD11 LEU 66 -4.450 -10.818 -8.581
67 HD12 LEU 66 HD12 LEU 66 -5.972 -10.045 -8.137
68 HD13 LEU 66 HD13 LEU 66 -4.902 -10.673 -6.882
69 HD21 LEU 66 HD21 LEU 66 -3.541 -7.402 -9.228
70 HD22 LEU 66 HD22 LEU 66 -5.289 -7.632 -9.222
71 HD23 LEU 66 HD23 LEU 66 -4.241 -8.855 -9.936
72 HA PRO 67 HA PRO 67 -4.901 -4.380 -3.099
73 HB2 PRO 67 HB3 PRO 67 -4.039 -1.824 -3.543
74 HB3 PRO 67 HB2 PRO 67 -2.936 -3.138 -3.035
75 HG2 PRO 67 HG3 PRO 67 -3.439 -2.041 -5.784
76 HG3 PRO 67 HG2 PRO 67 -1.888 -2.442 -4.991
77 HD2 PRO 67 HD3 PRO 67 -3.093 -4.127 -6.771
78 HD3 PRO 67 HD2 PRO 67 -2.122 -4.725 -5.406
79 H GLN 68 HN GLN 68 -5.604 -3.482 -6.369
80 HA GLN 68 HA GLN 68 -7.969 -1.911 -5.530
81 HB2 GLN 68 HB3 GLN 68 -8.042 -1.092 -7.838
82 HB3 GLN 68 HB2 GLN 68 -6.473 -0.756 -7.083
83 HG2 GLN 68 HG3 GLN 68 -5.520 -2.750 -8.197
84 HG3 GLN 68 HG2 GLN 68 -7.075 -3.067 -8.961
85 HE21 GLN 68 HE21 GLN 68 -4.116 -1.746 -9.627
86 HE22 GLN 68 HE22 GLN 68 -4.580 -0.598 -10.809
87 H LEU 69 HN LEU 69 -8.011 -4.705 -5.224
88 HA LEU 69 HA LEU 69 -10.431 -5.303 -6.597
89 HB2 LEU 69 HB3 LEU 69 -8.914 -5.724 -8.470
90 HB3 LEU 69 HB2 LEU 69 -7.958 -6.811 -7.471
91 HG LEU 69 HG LEU 69 -9.910 -8.311 -7.223
92 HD11 LEU 69 HD11 LEU 69 -11.832 -6.974 -7.376
93 HD12 LEU 69 HD12 LEU 69 -11.823 -7.773 -8.946
94 HD13 LEU 69 HD13 LEU 69 -11.244 -6.115 -8.801
95 HD21 LEU 69 HD21 LEU 69 -9.344 -7.584 -10.114
96 HD22 LEU 69 HD22 LEU 69 -9.935 -9.139 -9.526
97 HD23 LEU 69 HD23 LEU 69 -8.309 -8.599 -9.108
98 H VAL 70 HN VAL 70 -7.648 -7.262 -5.405
99 HA VAL 70 HA VAL 70 -9.327 -9.055 -3.977
100 HB VAL 70 HB VAL 70 -6.387 -8.390 -3.692
101 HG11 VAL 70 HG11 VAL 70 -7.036 -9.270 -1.564
102 HG12 VAL 70 HG12 VAL 70 -6.372 -10.641 -2.454
103 HG13 VAL 70 HG13 VAL 70 -8.118 -10.450 -2.303
104 HG21 VAL 70 HG21 VAL 70 -6.104 -10.531 -4.867
105 HG22 VAL 70 HG22 VAL 70 -7.131 -9.455 -5.817
106 HG23 VAL 70 HG23 VAL 70 -7.852 -10.768 -4.886
107 H CYS 71 HN CYS 71 -7.319 -6.327 -2.905
108 HA CYS 71 HA CYS 71 -8.209 -6.389 -0.210
109 HB2 CYS 71 HB3 CYS 71 -6.865 -4.247 -1.858
110 HB3 CYS 71 HB2 CYS 71 -7.243 -4.061 -0.133
111 HG CYS 71 HG CYS 71 -5.672 -6.615 -0.704
112 H ARG 72 HN ARG 72 -9.181 -4.679 -3.125
113 HA ARG 72 HA ARG 72 -10.940 -2.852 -1.979
114 HB2 ARG 72 HB3 ARG 72 -10.186 -2.769 -4.331
115 HB3 ARG 72 HB2 ARG 72 -11.162 -4.193 -4.675
116 HG2 ARG 72 HG3 ARG 72 -12.404 -2.219 -5.357
117 HG3 ARG 72 HG2 ARG 72 -13.200 -2.921 -3.953
118 HD2 ARG 72 HD3 ARG 72 -11.123 -0.787 -3.524
119 HD3 ARG 72 HD2 ARG 72 -12.733 -0.319 -4.057
120 HE ARG 72 HE ARG 72 -13.021 -2.069 -1.879
121 HH11 ARG 72 HH21 ARG 72 -11.772 1.064 -2.651
122 HH12 ARG 72 HH22 ARG 72 -12.067 1.721 -1.077
123 HH21 ARG 72 HH11 ARG 72 -13.411 -1.214 0.189
124 HH22 ARG 72 HH12 ARG 72 -12.996 0.433 0.532
125 H LEU 73 HN LEU 73 -11.596 -6.106 -3.273
126 HA LEU 73 HA LEU 73 -14.361 -6.095 -2.609
127 HB2 LEU 73 HB3 LEU 73 -12.407 -8.352 -3.118
128 HB3 LEU 73 HB2 LEU 73 -14.148 -8.598 -2.874
129 HG LEU 73 HG LEU 73 -12.969 -6.788 -5.011
130 HD11 LEU 73 HD11 LEU 73 -12.372 -9.202 -5.312
131 HD12 LEU 73 HD12 LEU 73 -13.414 -8.579 -6.592
132 HD13 LEU 73 HD13 LEU 73 -14.093 -9.589 -5.315
133 HD21 LEU 73 HD21 LEU 73 -15.405 -7.348 -5.937
134 HD22 LEU 73 HD22 LEU 73 -15.173 -6.059 -4.762
135 HD23 LEU 73 HD23 LEU 73 -15.755 -7.637 -4.233
136 H VAL 74 HN VAL 74 -11.469 -7.266 -0.969
137 HA VAL 74 HA VAL 74 -12.764 -8.495 1.217
138 HB VAL 74 HB VAL 74 -9.984 -7.387 0.826
139 HG11 VAL 74 HG11 VAL 74 -11.230 -8.795 3.208
140 HG12 VAL 74 HG12 VAL 74 -10.311 -7.291 3.202
141 HG13 VAL 74 HG13 VAL 74 -9.492 -8.826 2.910
142 HG21 VAL 74 HG21 VAL 74 -9.381 -9.663 0.468
143 HG22 VAL 74 HG22 VAL 74 -10.892 -9.463 -0.419
144 HG23 VAL 74 HG23 VAL 74 -10.894 -10.256 1.155
145 H LEU 75 HN LEU 75 -11.343 -5.221 0.902
146 HA LEU 75 HA LEU 75 -11.948 -4.419 3.543
147 HB2 LEU 75 HB3 LEU 75 -11.561 -2.828 0.998
148 HB3 LEU 75 HB2 LEU 75 -11.795 -2.072 2.587
149 HG LEU 75 HG LEU 75 -9.611 -4.099 1.986
150 HD11 LEU 75 HD11 LEU 75 -9.316 -2.065 0.623
151 HD12 LEU 75 HD12 LEU 75 -8.086 -2.163 1.884
152 HD13 LEU 75 HD13 LEU 75 -9.458 -1.071 2.073
153 HD21 LEU 75 HD21 LEU 75 -8.669 -2.765 4.089
154 HD22 LEU 75 HD22 LEU 75 -9.805 -4.086 4.313
155 HD23 LEU 75 HD23 LEU 75 -10.374 -2.420 4.369
156 H ARG 76 HN ARG 76 -13.735 -4.142 0.506
157 HA ARG 76 HA ARG 76 -15.934 -2.717 1.571
158 HB2 ARG 76 HB3 ARG 76 -15.643 -4.496 -0.847
159 HB3 ARG 76 HB2 ARG 76 -17.147 -3.658 -0.457
160 HG2 ARG 76 HG3 ARG 76 -16.007 -1.500 -0.531
161 HG3 ARG 76 HG2 ARG 76 -14.462 -2.295 -0.815
162 HD2 ARG 76 HD3 ARG 76 -15.303 -3.204 -2.938
163 HD3 ARG 76 HD2 ARG 76 -16.869 -2.452 -2.650
164 HE ARG 76 HE ARG 76 -14.907 -0.444 -2.530
165 HH11 ARG 76 HH21 ARG 76 -16.317 -2.676 -4.767
166 HH12 ARG 76 HH22 ARG 76 -16.060 -1.667 -6.150
167 HH21 ARG 76 HH11 ARG 76 -14.568 0.886 -4.340
168 HH22 ARG 76 HH12 ARG 76 -15.069 0.350 -5.908
169 H CYS 77 HN CYS 77 -15.229 -6.154 1.243
170 HA CYS 77 HA CYS 77 -17.735 -7.167 2.010
171 HB2 CYS 77 HB3 CYS 77 -15.974 -8.548 0.989
172 HB3 CYS 77 HB2 CYS 77 -14.982 -8.357 2.450
173 HG CYS 77 HG CYS 77 -17.629 -9.438 3.297
174 H SER 78 HN SER 78 -14.834 -6.452 3.949
175 HA SER 78 HA SER 78 -15.896 -7.257 6.435
176 HB2 SER 78 HB3 SER 78 -14.068 -5.961 7.423
177 HB3 SER 78 HB2 SER 78 -13.487 -6.892 6.028
178 HG SER 78 HG SER 78 -13.768 -4.966 4.784
179 H MET 79 HN MET 79 -16.091 -4.236 4.645
180 HA MET 79 HA MET 79 -18.245 -3.330 6.394
181 HB2 MET 79 HB3 MET 79 -16.191 -2.462 7.480
182 HB3 MET 79 HB2 MET 79 -15.761 -1.642 5.964
183 HG2 MET 79 HG3 MET 79 -17.850 -0.337 6.073
184 HG3 MET 79 HG2 MET 79 -18.299 -1.159 7.566
185 HE1 MET 79 HE1 MET 79 -15.493 -1.242 9.348
186 HE2 MET 79 HE2 MET 79 -17.229 -1.129 9.623
187 HE3 MET 79 HE3 MET 79 -16.160 0.110 10.269
188 H ASP 80 HN ASP 80 -19.717 -2.104 5.324
189 HA ASP 80 HA ASP 80 -19.337 -1.774 2.443
190 HB2 ASP 80 HB3 ASP 80 -21.439 -2.742 3.282
191 HB3 ASP 80 HB2 ASP 80 -21.755 -1.267 4.195
Start of MODEL 9
1 H1 ASP 59 HT1 ASP 59 -1.147 -10.635 6.051
2 H2 ASP 59 HT2 ASP 59 -2.405 -11.348 5.159
3 H3 ASP 59 HT3 ASP 59 -2.131 -9.675 5.061
4 HA ASP 59 HA ASP 59 0.260 -10.959 4.395
5 HB2 ASP 59 HB3 ASP 59 -2.240 -12.040 3.069
6 HB3 ASP 59 HB2 ASP 59 -0.640 -12.110 2.300
7 H THR 60 HN THR 60 0.912 -8.905 3.906
8 HA THR 60 HA THR 60 -0.698 -7.164 2.228
9 HB THR 60 HB THR 60 1.132 -5.562 2.536
10 HG1 THR 60 HG1 THR 60 2.547 -7.053 4.299
11 HG21 THR 60 HG21 THR 60 1.049 -5.426 5.019
12 HG22 THR 60 HG22 THR 60 0.360 -7.049 5.063
13 HG23 THR 60 HG23 THR 60 -0.538 -5.730 4.312
14 H LEU 61 HN LEU 61 1.558 -9.644 1.766
15 HA LEU 61 HA LEU 61 2.965 -8.715 -0.498
16 HB2 LEU 61 HB3 LEU 61 3.663 -10.704 0.762
17 HB3 LEU 61 HB2 LEU 61 2.192 -11.541 0.273
18 HG LEU 61 HG LEU 61 2.884 -11.376 -2.099
19 HD11 LEU 61 HD11 LEU 61 5.421 -10.724 -2.368
20 HD12 LEU 61 HD12 LEU 61 5.159 -9.825 -0.873
21 HD13 LEU 61 HD13 LEU 61 4.204 -9.451 -2.309
22 HD21 LEU 61 HD21 LEU 61 4.750 -12.972 -1.967
23 HD22 LEU 61 HD22 LEU 61 3.544 -13.337 -0.736
24 HD23 LEU 61 HD23 LEU 61 5.038 -12.513 -0.289
25 H LEU 62 HN LEU 62 -0.064 -10.551 -0.164
26 HA LEU 62 HA LEU 62 -0.563 -10.809 -2.940
27 HB2 LEU 62 HB3 LEU 62 -1.728 -12.173 -1.254
28 HB3 LEU 62 HB2 LEU 62 -2.524 -10.728 -0.635
29 HG LEU 62 HG LEU 62 -3.608 -10.380 -2.835
30 HD11 LEU 62 HD11 LEU 62 -3.482 -12.536 -4.358
31 HD12 LEU 62 HD12 LEU 62 -1.934 -12.786 -3.547
32 HD13 LEU 62 HD13 LEU 62 -2.220 -11.312 -4.473
33 HD21 LEU 62 HD21 LEU 62 -4.886 -11.611 -1.237
34 HD22 LEU 62 HD22 LEU 62 -3.937 -13.073 -1.495
35 HD23 LEU 62 HD23 LEU 62 -5.030 -12.500 -2.754
36 H GLY 63 HN GLY 63 -1.556 -8.412 -0.517
37 HA2 GLY 63 HA3 GLY 63 -3.210 -6.849 -2.168
38 HA3 GLY 63 HA2 GLY 63 -2.319 -6.249 -0.747
39 H ARG 64 HN ARG 64 0.226 -7.230 -1.917
40 HA ARG 64 HA ARG 64 0.886 -4.838 -3.386
41 HB2 ARG 64 HB3 ARG 64 2.375 -6.160 -1.704
42 HB3 ARG 64 HB2 ARG 64 2.719 -7.211 -3.076
43 HG2 ARG 64 HG3 ARG 64 3.393 -5.157 -4.382
44 HG3 ARG 64 HG2 ARG 64 3.225 -4.229 -2.892
45 HD2 ARG 64 HD3 ARG 64 5.057 -6.611 -3.277
46 HD3 ARG 64 HD2 ARG 64 5.570 -4.927 -3.260
47 HE ARG 64 HE ARG 64 4.768 -6.529 -0.955
48 HH11 ARG 64 HH21 ARG 64 5.411 -3.405 -2.304
49 HH12 ARG 64 HH22 ARG 64 5.700 -2.652 -0.771
50 HH21 ARG 64 HH11 ARG 64 5.144 -5.547 1.056
51 HH22 ARG 64 HH12 ARG 64 5.549 -3.864 1.131
52 H MET 65 HN MET 65 -1.072 -6.630 -4.587
53 HA MET 65 HA MET 65 0.156 -6.864 -7.228
54 HB2 MET 65 HB3 MET 65 0.547 -9.071 -6.058
55 HB3 MET 65 HB2 MET 65 -1.205 -9.264 -5.993
56 HG2 MET 65 HG3 MET 65 -1.345 -9.119 -8.436
57 HG3 MET 65 HG2 MET 65 0.408 -8.847 -8.531
58 HE1 MET 65 HE1 MET 65 -1.036 -10.863 -10.163
59 HE2 MET 65 HE2 MET 65 -0.233 -12.421 -9.978
60 HE3 MET 65 HE3 MET 65 0.730 -10.964 -10.208
61 H LEU 66 HN LEU 66 -2.720 -7.484 -5.227
62 HA LEU 66 HA LEU 66 -4.403 -6.231 -7.328
63 HB2 LEU 66 HB3 LEU 66 -5.113 -8.653 -5.649
64 HB3 LEU 66 HB2 LEU 66 -6.172 -7.849 -6.803
65 HG LEU 66 HG LEU 66 -3.506 -9.100 -7.526
66 HD11 LEU 66 HD11 LEU 66 -5.028 -10.854 -6.829
67 HD12 LEU 66 HD12 LEU 66 -4.941 -10.869 -8.591
68 HD13 LEU 66 HD13 LEU 66 -6.337 -10.154 -7.785
69 HD21 LEU 66 HD21 LEU 66 -4.708 -8.973 -9.859
70 HD22 LEU 66 HD22 LEU 66 -3.977 -7.513 -9.204
71 HD23 LEU 66 HD23 LEU 66 -5.719 -7.755 -9.084
72 HA PRO 67 HA PRO 67 -4.949 -4.475 -3.027
73 HB2 PRO 67 HB3 PRO 67 -4.100 -1.926 -3.502
74 HB3 PRO 67 HB2 PRO 67 -2.972 -3.250 -3.083
75 HG2 PRO 67 HG3 PRO 67 -3.648 -2.116 -5.780
76 HG3 PRO 67 HG2 PRO 67 -2.053 -2.545 -5.098
77 HD2 PRO 67 HD3 PRO 67 -3.415 -4.192 -6.812
78 HD3 PRO 67 HD2 PRO 67 -2.328 -4.811 -5.551
79 H GLN 68 HN GLN 68 -5.803 -3.493 -6.245
80 HA GLN 68 HA GLN 68 -8.157 -1.993 -5.251
81 HB2 GLN 68 HB3 GLN 68 -6.736 -1.967 -7.921
82 HB3 GLN 68 HB2 GLN 68 -8.291 -1.163 -7.615
83 HG2 GLN 68 HG3 GLN 68 -7.305 0.246 -5.924
84 HG3 GLN 68 HG2 GLN 68 -5.787 -0.651 -5.984
85 HE21 GLN 68 HE21 GLN 68 -6.236 2.261 -6.557
86 HE22 GLN 68 HE22 GLN 68 -5.679 2.494 -8.160
87 H LEU 69 HN LEU 69 -8.207 -4.759 -5.060
88 HA LEU 69 HA LEU 69 -10.583 -5.346 -6.511
89 HB2 LEU 69 HB3 LEU 69 -8.503 -5.708 -8.137
90 HB3 LEU 69 HB2 LEU 69 -8.374 -7.235 -7.273
91 HG LEU 69 HG LEU 69 -10.908 -6.242 -8.620
92 HD11 LEU 69 HD11 LEU 69 -10.380 -8.085 -10.260
93 HD12 LEU 69 HD12 LEU 69 -8.785 -8.204 -9.521
94 HD13 LEU 69 HD13 LEU 69 -9.274 -6.714 -10.330
95 HD21 LEU 69 HD21 LEU 69 -11.484 -8.723 -8.333
96 HD22 LEU 69 HD22 LEU 69 -11.471 -7.757 -6.858
97 HD23 LEU 69 HD23 LEU 69 -10.110 -8.811 -7.232
98 H VAL 70 HN VAL 70 -7.839 -7.372 -5.339
99 HA VAL 70 HA VAL 70 -9.589 -9.134 -3.945
100 HB VAL 70 HB VAL 70 -6.619 -8.616 -3.671
101 HG11 VAL 70 HG11 VAL 70 -7.286 -9.526 -1.569
102 HG12 VAL 70 HG12 VAL 70 -6.720 -10.910 -2.504
103 HG13 VAL 70 HG13 VAL 70 -8.449 -10.617 -2.323
104 HG21 VAL 70 HG21 VAL 70 -7.492 -9.590 -5.821
105 HG22 VAL 70 HG22 VAL 70 -8.165 -10.930 -4.890
106 HG23 VAL 70 HG23 VAL 70 -6.418 -10.683 -4.946
107 H CYS 71 HN CYS 71 -7.443 -6.533 -2.845
108 HA CYS 71 HA CYS 71 -8.310 -6.602 -0.137
109 HB2 CYS 71 HB3 CYS 71 -6.880 -4.493 -1.767
110 HB3 CYS 71 HB2 CYS 71 -7.214 -4.331 -0.031
111 HG CYS 71 HG CYS 71 -5.744 -6.924 -0.782
112 H ARG 72 HN ARG 72 -9.203 -4.790 -3.020
113 HA ARG 72 HA ARG 72 -10.908 -2.929 -1.827
114 HB2 ARG 72 HB3 ARG 72 -10.119 -2.801 -4.173
115 HB3 ARG 72 HB2 ARG 72 -11.150 -4.170 -4.570
116 HG2 ARG 72 HG3 ARG 72 -12.322 -2.149 -5.197
117 HG3 ARG 72 HG2 ARG 72 -13.137 -2.832 -3.795
118 HD2 ARG 72 HD3 ARG 72 -10.967 -0.791 -3.365
119 HD3 ARG 72 HD2 ARG 72 -12.564 -0.252 -3.871
120 HE ARG 72 HE ARG 72 -12.886 -2.016 -1.704
121 HH11 ARG 72 HH21 ARG 72 -11.559 1.085 -2.476
122 HH12 ARG 72 HH22 ARG 72 -11.814 1.743 -0.893
123 HH21 ARG 72 HH11 ARG 72 -13.224 -1.159 0.375
124 HH22 ARG 72 HH12 ARG 72 -12.757 0.472 0.719
125 H LEU 73 HN LEU 73 -11.614 -6.116 -3.228
126 HA LEU 73 HA LEU 73 -14.385 -6.087 -2.633
127 HB2 LEU 73 HB3 LEU 73 -13.435 -7.576 -4.326
128 HB3 LEU 73 HB2 LEU 73 -12.513 -8.424 -3.068
129 HG LEU 73 HG LEU 73 -14.621 -9.120 -1.986
130 HD11 LEU 73 HD11 LEU 73 -16.732 -8.758 -3.523
131 HD12 LEU 73 HD12 LEU 73 -15.816 -7.383 -4.143
132 HD13 LEU 73 HD13 LEU 73 -16.229 -7.469 -2.431
133 HD21 LEU 73 HD21 LEU 73 -13.710 -10.629 -3.614
134 HD22 LEU 73 HD22 LEU 73 -14.354 -9.669 -4.945
135 HD23 LEU 73 HD23 LEU 73 -15.450 -10.567 -3.894
136 H VAL 74 HN VAL 74 -11.572 -7.451 -0.986
137 HA VAL 74 HA VAL 74 -12.956 -8.667 1.148
138 HB VAL 74 HB VAL 74 -10.119 -7.680 0.823
139 HG11 VAL 74 HG11 VAL 74 -11.458 -9.108 3.144
140 HG12 VAL 74 HG12 VAL 74 -10.477 -7.643 3.200
141 HG13 VAL 74 HG13 VAL 74 -9.719 -9.201 2.865
142 HG21 VAL 74 HG21 VAL 74 -11.101 -9.670 -0.500
143 HG22 VAL 74 HG22 VAL 74 -11.175 -10.510 1.047
144 HG23 VAL 74 HG23 VAL 74 -9.619 -9.974 0.410
145 H LEU 75 HN LEU 75 -11.355 -5.468 0.956
146 HA LEU 75 HA LEU 75 -11.982 -4.703 3.605
147 HB2 LEU 75 HB3 LEU 75 -11.423 -3.076 1.116
148 HB3 LEU 75 HB2 LEU 75 -11.659 -2.347 2.714
149 HG LEU 75 HG LEU 75 -9.587 -4.491 2.133
150 HD11 LEU 75 HD11 LEU 75 -7.939 -2.694 2.044
151 HD12 LEU 75 HD12 LEU 75 -9.195 -1.491 2.335
152 HD13 LEU 75 HD13 LEU 75 -9.182 -2.404 0.826
153 HD21 LEU 75 HD21 LEU 75 -8.620 -3.262 4.285
154 HD22 LEU 75 HD22 LEU 75 -9.857 -4.500 4.456
155 HD23 LEU 75 HD23 LEU 75 -10.305 -2.798 4.523
156 H ARG 76 HN ARG 76 -13.662 -4.268 0.530
157 HA ARG 76 HA ARG 76 -15.800 -2.724 1.541
158 HB2 ARG 76 HB3 ARG 76 -15.569 -4.536 -0.866
159 HB3 ARG 76 HB2 ARG 76 -17.006 -3.571 -0.530
160 HG2 ARG 76 HG3 ARG 76 -14.297 -2.246 -0.597
161 HG3 ARG 76 HG2 ARG 76 -15.134 -2.599 -2.105
162 HD2 ARG 76 HD3 ARG 76 -17.102 -1.328 -1.295
163 HD3 ARG 76 HD2 ARG 76 -16.236 -0.941 0.187
164 HE ARG 76 HE ARG 76 -14.648 -0.141 -1.991
165 HH11 ARG 76 HH21 ARG 76 -17.654 0.589 -0.439
166 HH12 ARG 76 HH22 ARG 76 -17.638 2.261 -0.890
167 HH21 ARG 76 HH11 ARG 76 -14.621 2.051 -2.586
168 HH22 ARG 76 HH12 ARG 76 -15.922 3.089 -2.105
169 H CYS 77 HN CYS 77 -15.289 -6.189 1.199
170 HA CYS 77 HA CYS 77 -17.868 -7.063 1.889
171 HB2 CYS 77 HB3 CYS 77 -16.160 -8.533 0.898
172 HB3 CYS 77 HB2 CYS 77 -15.198 -8.412 2.387
173 HG CYS 77 HG CYS 77 -17.918 -9.351 3.160
174 H SER 78 HN SER 78 -14.982 -6.536 3.908
175 HA SER 78 HA SER 78 -16.135 -7.301 6.360
176 HB2 SER 78 HB3 SER 78 -13.715 -7.039 6.072
177 HB3 SER 78 HB2 SER 78 -13.926 -5.294 5.820
178 HG SER 78 HG SER 78 -13.940 -6.780 8.134
179 H MET 79 HN MET 79 -15.901 -4.135 4.766
180 HA MET 79 HA MET 79 -18.244 -3.208 6.237
181 HB2 MET 79 HB3 MET 79 -16.345 -2.650 7.733
182 HB3 MET 79 HB2 MET 79 -15.602 -1.727 6.411
183 HG2 MET 79 HG3 MET 79 -17.573 -0.249 6.331
184 HG3 MET 79 HG2 MET 79 -18.333 -1.171 7.623
185 HE1 MET 79 HE1 MET 79 -16.589 -0.389 10.769
186 HE2 MET 79 HE2 MET 79 -15.894 -1.698 9.821
187 HE3 MET 79 HE3 MET 79 -17.637 -1.449 9.817
188 H ASP 80 HN ASP 80 -19.406 -1.734 5.095
189 HA ASP 80 HA ASP 80 -18.200 -0.299 2.852
190 HB2 ASP 80 HB3 ASP 80 -19.782 -1.148 1.216
191 HB3 ASP 80 HB2 ASP 80 -18.878 -2.495 1.906
Start of MODEL 10
1 H1 ASP 59 HT1 ASP 59 -0.322 -12.071 4.422
2 H2 ASP 59 HT2 ASP 59 0.636 -11.469 3.154
3 H3 ASP 59 HT3 ASP 59 -1.056 -11.346 3.076
4 HA ASP 59 HA ASP 59 -1.071 -9.840 4.956
5 HB2 ASP 59 HB3 ASP 59 1.238 -8.938 5.623
6 HB3 ASP 59 HB2 ASP 59 0.820 -10.561 6.210
7 H THR 60 HN THR 60 1.913 -8.691 3.737
8 HA THR 60 HA THR 60 0.561 -6.660 2.164
9 HB THR 60 HB THR 60 2.796 -5.682 1.931
10 HG1 THR 60 HG1 THR 60 3.917 -7.603 3.582
11 HG21 THR 60 HG21 THR 60 2.117 -6.675 4.711
12 HG22 THR 60 HG22 THR 60 1.593 -5.162 3.970
13 HG23 THR 60 HG23 THR 60 3.292 -5.405 4.376
14 H LEU 61 HN LEU 61 1.890 -9.735 1.627
15 HA LEU 61 HA LEU 61 2.973 -9.430 -0.963
16 HB2 LEU 61 HB3 LEU 61 3.354 -11.438 0.399
17 HB3 LEU 61 HB2 LEU 61 1.643 -11.838 0.306
18 HG LEU 61 HG LEU 61 1.826 -12.059 -2.153
19 HD11 LEU 61 HD11 LEU 61 3.547 -10.633 -2.857
20 HD12 LEU 61 HD12 LEU 61 4.325 -12.208 -2.968
21 HD13 LEU 61 HD13 LEU 61 4.647 -11.162 -1.584
22 HD21 LEU 61 HD21 LEU 61 2.287 -13.972 -0.542
23 HD22 LEU 61 HD22 LEU 61 4.006 -13.662 -0.792
24 HD23 LEU 61 HD23 LEU 61 2.992 -14.157 -2.148
25 H LEU 62 HN LEU 62 -0.287 -10.258 0.178
26 HA LEU 62 HA LEU 62 -1.457 -10.578 -2.380
27 HB2 LEU 62 HB3 LEU 62 -2.521 -11.378 -0.310
28 HB3 LEU 62 HB2 LEU 62 -2.718 -9.714 0.232
29 HG LEU 62 HG LEU 62 -4.150 -9.249 -1.742
30 HD11 LEU 62 HD11 LEU 62 -4.996 -11.467 -2.893
31 HD12 LEU 62 HD12 LEU 62 -3.438 -12.108 -2.372
32 HD13 LEU 62 HD13 LEU 62 -3.505 -10.712 -3.449
33 HD21 LEU 62 HD21 LEU 62 -5.344 -9.835 0.219
34 HD22 LEU 62 HD22 LEU 62 -4.871 -11.530 0.104
35 HD23 LEU 62 HD23 LEU 62 -6.030 -10.860 -1.038
36 H GLY 63 HN GLY 63 -1.262 -7.818 -0.156
37 HA2 GLY 63 HA3 GLY 63 -2.703 -5.976 -1.736
38 HA3 GLY 63 HA2 GLY 63 -1.505 -5.554 -0.492
39 H ARG 64 HN ARG 64 0.425 -7.351 -1.994
40 HA ARG 64 HA ARG 64 1.430 -5.272 -3.781
41 HB2 ARG 64 HB3 ARG 64 2.615 -7.770 -2.581
42 HB3 ARG 64 HB2 ARG 64 3.426 -6.919 -3.892
43 HG2 ARG 64 HG3 ARG 64 2.517 -5.382 -1.463
44 HG3 ARG 64 HG2 ARG 64 4.006 -6.320 -1.390
45 HD2 ARG 64 HD3 ARG 64 3.425 -4.220 -3.504
46 HD3 ARG 64 HD2 ARG 64 4.372 -3.934 -2.051
47 HE ARG 64 HE ARG 64 5.506 -6.145 -3.299
48 HH11 ARG 64 HH21 ARG 64 4.852 -2.819 -3.991
49 HH12 ARG 64 HH22 ARG 64 6.216 -2.625 -5.041
50 HH21 ARG 64 HH11 ARG 64 7.298 -5.899 -4.676
51 HH22 ARG 64 HH12 ARG 64 7.600 -4.369 -5.428
52 H MET 65 HN MET 65 -0.943 -6.843 -4.535
53 HA MET 65 HA MET 65 0.022 -7.693 -7.165
54 HB2 MET 65 HB3 MET 65 0.024 -9.698 -5.520
55 HB3 MET 65 HB2 MET 65 -1.732 -9.600 -5.618
56 HG2 MET 65 HG3 MET 65 -1.017 -11.183 -7.289
57 HG3 MET 65 HG2 MET 65 -1.501 -9.703 -8.143
58 HE1 MET 65 HE1 MET 65 -0.341 -10.320 -10.231
59 HE2 MET 65 HE2 MET 65 0.235 -11.855 -9.590
60 HE3 MET 65 HE3 MET 65 1.357 -10.774 -10.413
61 H LEU 66 HN LEU 66 -2.942 -7.950 -5.159
62 HA LEU 66 HA LEU 66 -4.386 -6.374 -7.223
63 HB2 LEU 66 HB3 LEU 66 -5.405 -8.839 -5.787
64 HB3 LEU 66 HB2 LEU 66 -6.331 -7.843 -6.908
65 HG LEU 66 HG LEU 66 -3.752 -9.269 -7.634
66 HD11 LEU 66 HD11 LEU 66 -5.270 -10.816 -8.893
67 HD12 LEU 66 HD12 LEU 66 -6.645 -10.044 -8.105
68 HD13 LEU 66 HD13 LEU 66 -5.460 -10.926 -7.143
69 HD21 LEU 66 HD21 LEU 66 -4.002 -7.522 -9.190
70 HD22 LEU 66 HD22 LEU 66 -5.763 -7.600 -9.149
71 HD23 LEU 66 HD23 LEU 66 -4.843 -8.844 -9.991
72 HA PRO 67 HA PRO 67 -5.035 -4.874 -2.842
73 HB2 PRO 67 HB3 PRO 67 -3.916 -2.390 -3.090
74 HB3 PRO 67 HB2 PRO 67 -2.961 -3.841 -2.672
75 HG2 PRO 67 HG3 PRO 67 -3.300 -2.493 -5.333
76 HG3 PRO 67 HG2 PRO 67 -1.817 -3.131 -4.567
77 HD2 PRO 67 HD3 PRO 67 -3.200 -4.517 -6.484
78 HD3 PRO 67 HD2 PRO 67 -2.285 -5.326 -5.191
79 H GLN 68 HN GLN 68 -5.606 -3.647 -6.033
80 HA GLN 68 HA GLN 68 -7.848 -1.962 -5.069
81 HB2 GLN 68 HB3 GLN 68 -6.415 -1.943 -7.737
82 HB3 GLN 68 HB2 GLN 68 -7.758 -0.880 -7.262
83 HG2 GLN 68 HG3 GLN 68 -6.388 -0.010 -5.392
84 HG3 GLN 68 HG2 GLN 68 -5.049 -1.037 -5.899
85 HE21 GLN 68 HE21 GLN 68 -3.533 0.163 -7.037
86 HE22 GLN 68 HE22 GLN 68 -3.904 1.428 -8.130
87 H LEU 69 HN LEU 69 -8.163 -4.728 -5.072
88 HA LEU 69 HA LEU 69 -10.510 -4.979 -6.661
89 HB2 LEU 69 HB3 LEU 69 -8.413 -5.421 -8.233
90 HB3 LEU 69 HB2 LEU 69 -8.441 -7.007 -7.470
91 HG LEU 69 HG LEU 69 -10.829 -5.717 -8.833
92 HD11 LEU 69 HD11 LEU 69 -10.411 -7.333 -10.640
93 HD12 LEU 69 HD12 LEU 69 -8.972 -7.912 -9.799
94 HD13 LEU 69 HD13 LEU 69 -9.022 -6.266 -10.431
95 HD21 LEU 69 HD21 LEU 69 -10.308 -8.417 -7.570
96 HD22 LEU 69 HD22 LEU 69 -11.609 -8.168 -8.734
97 HD23 LEU 69 HD23 LEU 69 -11.608 -7.281 -7.210
98 H VAL 70 HN VAL 70 -8.025 -7.337 -5.531
99 HA VAL 70 HA VAL 70 -10.000 -9.016 -4.352
100 HB VAL 70 HB VAL 70 -7.012 -8.818 -3.901
101 HG11 VAL 70 HG11 VAL 70 -9.090 -10.749 -2.838
102 HG12 VAL 70 HG12 VAL 70 -7.914 -9.813 -1.917
103 HG13 VAL 70 HG13 VAL 70 -7.377 -11.159 -2.924
104 HG21 VAL 70 HG21 VAL 70 -8.699 -10.862 -5.383
105 HG22 VAL 70 HG22 VAL 70 -6.938 -10.785 -5.333
106 HG23 VAL 70 HG23 VAL 70 -7.853 -9.527 -6.165
107 H CYS 71 HN CYS 71 -7.685 -6.707 -2.980
108 HA CYS 71 HA CYS 71 -8.655 -6.880 -0.317
109 HB2 CYS 71 HB3 CYS 71 -7.047 -4.764 -1.751
110 HB3 CYS 71 HB2 CYS 71 -7.424 -4.705 -0.020
111 HG CYS 71 HG CYS 71 -5.973 -7.231 -1.109
112 H ARG 72 HN ARG 72 -9.328 -4.827 -3.098
113 HA ARG 72 HA ARG 72 -10.932 -2.933 -1.828
114 HB2 ARG 72 HB3 ARG 72 -10.082 -2.703 -4.139
115 HB3 ARG 72 HB2 ARG 72 -11.184 -3.979 -4.650
116 HG2 ARG 72 HG3 ARG 72 -12.205 -1.840 -5.164
117 HG3 ARG 72 HG2 ARG 72 -13.106 -2.572 -3.843
118 HD2 ARG 72 HD3 ARG 72 -10.834 -0.707 -3.201
119 HD3 ARG 72 HD2 ARG 72 -12.380 -0.037 -3.703
120 HE ARG 72 HE ARG 72 -12.845 -1.942 -1.674
121 HH11 ARG 72 HH21 ARG 72 -11.401 1.157 -2.210
122 HH12 ARG 72 HH22 ARG 72 -11.677 1.719 -0.595
123 HH21 ARG 72 HH11 ARG 72 -13.208 -1.211 0.447
124 HH22 ARG 72 HH12 ARG 72 -12.700 0.379 0.908
125 H LEU 73 HN LEU 73 -11.828 -5.962 -3.456
126 HA LEU 73 HA LEU 73 -14.603 -5.771 -2.898
127 HB2 LEU 73 HB3 LEU 73 -13.735 -7.201 -4.681
128 HB3 LEU 73 HB2 LEU 73 -12.897 -8.202 -3.479
129 HG LEU 73 HG LEU 73 -15.066 -8.820 -2.475
130 HD11 LEU 73 HD11 LEU 73 -17.121 -8.192 -4.002
131 HD12 LEU 73 HD12 LEU 73 -16.098 -6.847 -4.510
132 HD13 LEU 73 HD13 LEU 73 -16.545 -7.026 -2.813
133 HD21 LEU 73 HD21 LEU 73 -14.791 -9.171 -5.463
134 HD22 LEU 73 HD22 LEU 73 -15.969 -10.056 -4.495
135 HD23 LEU 73 HD23 LEU 73 -14.244 -10.271 -4.199
136 H VAL 74 HN VAL 74 -11.933 -7.463 -1.322
137 HA VAL 74 HA VAL 74 -13.442 -8.719 0.699
138 HB VAL 74 HB VAL 74 -10.533 -7.944 0.489
139 HG11 VAL 74 HG11 VAL 74 -10.926 -8.069 2.853
140 HG12 VAL 74 HG12 VAL 74 -10.298 -9.656 2.404
141 HG13 VAL 74 HG13 VAL 74 -12.027 -9.434 2.668
142 HG21 VAL 74 HG21 VAL 74 -10.210 -10.236 -0.095
143 HG22 VAL 74 HG22 VAL 74 -11.630 -9.726 -1.010
144 HG23 VAL 74 HG23 VAL 74 -11.825 -10.683 0.456
145 H LEU 75 HN LEU 75 -11.606 -5.641 0.761
146 HA LEU 75 HA LEU 75 -12.177 -5.051 3.464
147 HB2 LEU 75 HB3 LEU 75 -11.520 -3.270 1.109
148 HB3 LEU 75 HB2 LEU 75 -11.717 -2.650 2.759
149 HG LEU 75 HG LEU 75 -9.777 -4.871 2.022
150 HD11 LEU 75 HD11 LEU 75 -8.034 -3.072 2.230
151 HD12 LEU 75 HD12 LEU 75 -9.337 -1.882 2.277
152 HD13 LEU 75 HD13 LEU 75 -9.095 -2.871 0.836
153 HD21 LEU 75 HD21 LEU 75 -10.051 -5.026 4.336
154 HD22 LEU 75 HD22 LEU 75 -10.395 -3.308 4.525
155 HD23 LEU 75 HD23 LEU 75 -8.743 -3.852 4.250
156 H ARG 76 HN ARG 76 -13.851 -4.214 0.459
157 HA ARG 76 HA ARG 76 -15.880 -2.660 1.674
158 HB2 ARG 76 HB3 ARG 76 -15.752 -4.159 -0.939
159 HB3 ARG 76 HB2 ARG 76 -17.157 -3.205 -0.460
160 HG2 ARG 76 HG3 ARG 76 -15.772 -1.201 -0.265
161 HG3 ARG 76 HG2 ARG 76 -14.325 -2.131 -0.639
162 HD2 ARG 76 HD3 ARG 76 -15.235 -2.677 -2.859
163 HD3 ARG 76 HD2 ARG 76 -16.706 -1.784 -2.484
164 HE ARG 76 HE ARG 76 -14.520 -0.053 -2.124
165 HH11 ARG 76 HH21 ARG 76 -16.162 -1.817 -4.608
166 HH12 ARG 76 HH22 ARG 76 -15.771 -0.685 -5.860
167 HH21 ARG 76 HH11 ARG 76 -14.005 1.436 -3.760
168 HH22 ARG 76 HH12 ARG 76 -14.551 1.157 -5.380
169 H CYS 77 HN CYS 77 -15.590 -6.094 0.938
170 HA CYS 77 HA CYS 77 -18.216 -6.875 1.568
171 HB2 CYS 77 HB3 CYS 77 -16.620 -8.331 0.392
172 HB3 CYS 77 HB2 CYS 77 -15.637 -8.441 1.869
173 HG CYS 77 HG CYS 77 -18.410 -9.279 2.573
174 H SER 78 HN SER 78 -15.285 -6.756 3.587
175 HA SER 78 HA SER 78 -16.455 -7.733 5.954
176 HB2 SER 78 HB3 SER 78 -14.028 -7.571 5.657
177 HB3 SER 78 HB2 SER 78 -14.143 -5.801 5.611
178 HG SER 78 HG SER 78 -13.837 -6.071 7.698
179 H MET 79 HN MET 79 -16.062 -4.412 4.745
180 HA MET 79 HA MET 79 -18.345 -3.552 6.335
181 HB2 MET 79 HB3 MET 79 -17.138 -1.739 7.457
182 HB3 MET 79 HB2 MET 79 -16.455 -3.315 7.909
183 HG2 MET 79 HG3 MET 79 -14.701 -2.996 6.149
184 HG3 MET 79 HG2 MET 79 -15.343 -1.385 5.843
185 HE1 MET 79 HE1 MET 79 -14.736 -3.279 9.492
186 HE2 MET 79 HE2 MET 79 -13.005 -2.973 9.398
187 HE3 MET 79 HE3 MET 79 -13.806 -3.854 8.103
188 H ASP 80 HN ASP 80 -19.008 -1.342 5.804
189 HA ASP 80 HA ASP 80 -17.838 -0.142 3.408
190 HB2 ASP 80 HB3 ASP 80 -19.914 -0.184 2.145
191 HB3 ASP 80 HB2 ASP 80 -19.443 -1.834 2.547