NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
570354 |
2m1t   |
18879 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ASP 59 HT1 ASP 59 -4.999 -2.242 6.232
2 H2 ASP 59 HT2 ASP 59 -5.135 -1.204 4.894
3 H3 ASP 59 HT3 ASP 59 -5.121 -2.890 4.668
4 HA ASP 59 HA ASP 59 -7.276 -3.144 5.220
5 HB2 ASP 59 HB3 ASP 59 -6.772 -0.852 7.125
6 HB3 ASP 59 HB2 ASP 59 -8.372 -1.547 6.874
7 H THR 60 HN THR 60 -5.749 -0.849 3.579
8 HA THR 60 HA THR 60 -8.208 0.509 2.667
9 HB THR 60 HB THR 60 -6.757 2.365 1.972
10 HG1 THR 60 HG1 THR 60 -4.611 2.313 2.453
11 HG21 THR 60 HG21 THR 60 -7.801 2.161 4.296
12 HG22 THR 60 HG22 THR 60 -6.439 3.273 4.149
13 HG23 THR 60 HG23 THR 60 -6.201 1.676 4.860
14 H LEU 61 HN LEU 61 -8.605 0.688 0.565
15 HA LEU 61 HA LEU 61 -8.572 0.262 -1.677
16 HB2 LEU 61 HB3 LEU 61 -5.683 -0.591 -1.403
17 HB3 LEU 61 HB2 LEU 61 -6.511 -0.039 -2.853
18 HG LEU 61 HG LEU 61 -5.924 1.636 -0.395
19 HD11 LEU 61 HD11 LEU 61 -4.473 2.894 -1.972
20 HD12 LEU 61 HD12 LEU 61 -4.827 1.700 -3.220
21 HD13 LEU 61 HD13 LEU 61 -3.946 1.224 -1.768
22 HD21 LEU 61 HD21 LEU 61 -6.745 3.477 -2.055
23 HD22 LEU 61 HD22 LEU 61 -7.946 2.498 -1.221
24 HD23 LEU 61 HD23 LEU 61 -7.534 2.143 -2.896
25 H LEU 62 HN LEU 62 -8.276 -1.853 0.716
26 HA LEU 62 HA LEU 62 -9.363 -4.011 -0.750
27 HB2 LEU 62 HB3 LEU 62 -7.428 -5.622 0.049
28 HB3 LEU 62 HB2 LEU 62 -7.283 -4.759 -1.476
29 HG LEU 62 HG LEU 62 -6.035 -2.942 -0.193
30 HD11 LEU 62 HD11 LEU 62 -4.931 -3.809 1.921
31 HD12 LEU 62 HD12 LEU 62 -6.132 -5.099 1.924
32 HD13 LEU 62 HD13 LEU 62 -6.641 -3.415 2.077
33 HD21 LEU 62 HD21 LEU 62 -4.890 -4.568 -1.617
34 HD22 LEU 62 HD22 LEU 62 -4.873 -5.733 -0.294
35 HD23 LEU 62 HD23 LEU 62 -3.931 -4.248 -0.172
36 H GLY 63 HN GLY 63 -10.572 -2.878 1.061
37 HA2 GLY 63 HA3 GLY 63 -11.406 -4.488 3.031
38 HA3 GLY 63 HA2 GLY 63 -9.962 -3.790 3.757
39 H ARG 64 HN ARG 64 -10.990 -1.481 1.739
40 HA ARG 64 HA ARG 64 -12.848 -0.223 3.650
41 HB2 ARG 64 HB3 ARG 64 -10.291 0.527 3.481
42 HB3 ARG 64 HB2 ARG 64 -10.892 1.449 2.113
43 HG2 ARG 64 HG3 ARG 64 -11.183 2.971 3.847
44 HG3 ARG 64 HG2 ARG 64 -12.763 2.188 3.827
45 HD2 ARG 64 HD3 ARG 64 -10.557 1.974 5.836
46 HD3 ARG 64 HD2 ARG 64 -12.298 2.010 6.090
47 HE ARG 64 HE ARG 64 -11.469 -0.405 4.782
48 HH11 ARG 64 HH21 ARG 64 -11.630 1.271 7.805
49 HH12 ARG 64 HH22 ARG 64 -11.660 -0.172 8.763
50 HH21 ARG 64 HH11 ARG 64 -11.505 -2.304 6.032
51 HH22 ARG 64 HH12 ARG 64 -11.589 -2.194 7.760
52 H ILE 65 HN ILE 65 -12.329 -1.340 0.522
53 HA ILE 65 HA ILE 65 -14.413 0.457 -0.547
54 HB ILE 65 HB ILE 65 -12.247 -0.809 -2.214
55 HG12 ILE 65 HG13 ILE 65 -12.346 1.998 -1.059
56 HG13 ILE 65 HG12 ILE 65 -11.237 0.726 -0.540
57 HG21 ILE 65 HG21 ILE 65 -13.924 1.651 -2.756
58 HG22 ILE 65 HG22 ILE 65 -14.481 0.039 -3.189
59 HG23 ILE 65 HG23 ILE 65 -13.006 0.680 -3.907
60 HD11 ILE 65 HD11 ILE 65 -10.484 0.568 -2.967
61 HD12 ILE 65 HD12 ILE 65 -10.027 2.046 -2.121
62 HD13 ILE 65 HD13 ILE 65 -11.380 2.060 -3.247
63 H LEU 66 HN LEU 66 -12.900 -2.726 -1.365
64 HA LEU 66 HA LEU 66 -15.631 -3.659 -2.063
65 HB2 LEU 66 HB3 LEU 66 -13.431 -5.418 -2.974
66 HB3 LEU 66 HB2 LEU 66 -14.830 -4.815 -3.838
67 HG LEU 66 HG LEU 66 -12.413 -3.089 -3.236
68 HD11 LEU 66 HD11 LEU 66 -12.004 -3.444 -5.736
69 HD12 LEU 66 HD12 LEU 66 -13.098 -4.822 -5.611
70 HD13 LEU 66 HD13 LEU 66 -11.603 -4.794 -4.676
71 HD21 LEU 66 HD21 LEU 66 -14.814 -2.158 -3.761
72 HD22 LEU 66 HD22 LEU 66 -14.471 -2.692 -5.405
73 HD23 LEU 66 HD23 LEU 66 -13.430 -1.499 -4.631
74 HA PRO 67 HA PRO 67 -14.075 -7.230 0.595
75 HB2 PRO 67 HB3 PRO 67 -11.515 -6.494 1.856
76 HB3 PRO 67 HB2 PRO 67 -11.895 -7.909 0.859
77 HG2 PRO 67 HG3 PRO 67 -10.287 -5.953 -0.018
78 HG3 PRO 67 HG2 PRO 67 -11.363 -6.838 -1.109
79 HD2 PRO 67 HD3 PRO 67 -11.816 -4.131 0.156
80 HD3 PRO 67 HD2 PRO 67 -12.021 -4.614 -1.533
81 H GLN 68 HN GLN 68 -13.924 -3.925 1.389
82 HA GLN 68 HA GLN 68 -13.811 -3.967 4.180
83 HB2 GLN 68 HB3 GLN 68 -14.592 -1.771 4.075
84 HB3 GLN 68 HB2 GLN 68 -13.914 -2.008 2.482
85 HG2 GLN 68 HG3 GLN 68 -16.146 -2.477 1.562
86 HG3 GLN 68 HG2 GLN 68 -16.859 -2.251 3.159
87 HE21 GLN 68 HE21 GLN 68 -16.572 -0.073 4.173
88 HE22 GLN 68 HE22 GLN 68 -16.472 1.293 3.143
89 H LEU 69 HN LEU 69 -16.228 -4.907 1.951
90 HA LEU 69 HA LEU 69 -18.566 -4.762 3.468
91 HB2 LEU 69 HB3 LEU 69 -17.592 -6.465 1.199
92 HB3 LEU 69 HB2 LEU 69 -19.044 -7.001 2.043
93 HG LEU 69 HG LEU 69 -20.097 -4.853 1.647
94 HD11 LEU 69 HD11 LEU 69 -18.347 -3.275 1.669
95 HD12 LEU 69 HD12 LEU 69 -18.877 -3.285 -0.011
96 HD13 LEU 69 HD13 LEU 69 -17.421 -4.157 0.460
97 HD21 LEU 69 HD21 LEU 69 -20.104 -4.944 -0.917
98 HD22 LEU 69 HD22 LEU 69 -20.507 -6.446 -0.082
99 HD23 LEU 69 HD23 LEU 69 -18.896 -6.220 -0.765
100 H VAL 70 HN VAL 70 -16.138 -7.272 3.201
101 HA VAL 70 HA VAL 70 -17.335 -8.761 5.406
102 HB VAL 70 HB VAL 70 -15.513 -10.385 5.015
103 HG11 VAL 70 HG11 VAL 70 -16.853 -9.629 2.410
104 HG12 VAL 70 HG12 VAL 70 -17.726 -10.374 3.749
105 HG13 VAL 70 HG13 VAL 70 -16.407 -11.242 2.966
106 HG21 VAL 70 HG21 VAL 70 -13.888 -8.614 4.139
107 HG22 VAL 70 HG22 VAL 70 -14.785 -8.678 2.623
108 HG23 VAL 70 HG23 VAL 70 -13.952 -10.113 3.216
109 H CYS 71 HN CYS 71 -16.498 -6.166 6.021
110 HA CYS 71 HA CYS 71 -14.455 -6.749 8.066
111 HB2 CYS 71 HB3 CYS 71 -13.416 -5.646 6.005
112 HB3 CYS 71 HB2 CYS 71 -14.357 -4.217 6.432
113 HG CYS 71 HG CYS 71 -12.845 -3.771 8.361
114 H ARG 72 HN ARG 72 -16.790 -4.376 6.783
115 HA ARG 72 HA ARG 72 -17.294 -3.451 9.542
116 HB2 ARG 72 HB3 ARG 72 -17.493 -2.176 6.843
117 HB3 ARG 72 HB2 ARG 72 -18.641 -1.649 8.069
118 HG2 ARG 72 HG3 ARG 72 -16.811 -0.170 8.304
119 HG3 ARG 72 HG2 ARG 72 -16.576 -1.328 9.607
120 HD2 ARG 72 HD3 ARG 72 -14.449 -1.094 8.555
121 HD3 ARG 72 HD2 ARG 72 -15.092 -2.634 7.993
122 HE ARG 72 HE ARG 72 -15.319 -1.722 5.852
123 HH11 ARG 72 HH21 ARG 72 -14.589 0.684 8.233
124 HH12 ARG 72 HH22 ARG 72 -14.291 1.942 7.080
125 HH21 ARG 72 HH11 ARG 72 -14.929 -0.059 4.327
126 HH22 ARG 72 HH12 ARG 72 -14.481 1.520 4.874
127 H LEU 73 HN LEU 73 -18.610 -5.478 7.137
128 HA LEU 73 HA LEU 73 -21.350 -5.104 8.235
129 HB2 LEU 73 HB3 LEU 73 -20.652 -6.641 5.741
130 HB3 LEU 73 HB2 LEU 73 -22.224 -6.053 6.255
131 HG LEU 73 HG LEU 73 -19.868 -4.311 5.474
132 HD11 LEU 73 HD11 LEU 73 -21.105 -5.566 3.638
133 HD12 LEU 73 HD12 LEU 73 -21.102 -3.808 3.487
134 HD13 LEU 73 HD13 LEU 73 -22.539 -4.639 4.087
135 HD21 LEU 73 HD21 LEU 73 -22.638 -3.716 6.536
136 HD22 LEU 73 HD22 LEU 73 -21.762 -2.537 5.560
137 HD23 LEU 73 HD23 LEU 73 -21.090 -3.082 7.095
138 H VAL 74 HN VAL 74 -18.836 -7.516 7.629
139 HA VAL 74 HA VAL 74 -20.514 -9.619 8.821
140 HB VAL 74 HB VAL 74 -17.752 -9.751 7.596
141 HG11 VAL 74 HG11 VAL 74 -19.657 -11.865 8.638
142 HG12 VAL 74 HG12 VAL 74 -18.007 -11.552 9.178
143 HG13 VAL 74 HG13 VAL 74 -18.297 -12.230 7.575
144 HG21 VAL 74 HG21 VAL 74 -20.472 -10.596 6.543
145 HG22 VAL 74 HG22 VAL 74 -18.932 -10.807 5.710
146 HG23 VAL 74 HG23 VAL 74 -19.565 -9.187 5.996
147 H LEU 75 HN LEU 75 -17.182 -8.379 9.291
148 HA LEU 75 HA LEU 75 -16.786 -9.712 11.748
149 HB2 LEU 75 HB3 LEU 75 -15.458 -7.313 10.501
150 HB3 LEU 75 HB2 LEU 75 -14.971 -7.932 12.077
151 HG LEU 75 HG LEU 75 -14.540 -10.146 11.072
152 HD11 LEU 75 HD11 LEU 75 -15.566 -8.748 8.604
153 HD12 LEU 75 HD12 LEU 75 -16.016 -10.325 9.248
154 HD13 LEU 75 HD13 LEU 75 -14.452 -10.110 8.465
155 HD21 LEU 75 HD21 LEU 75 -12.619 -9.395 9.564
156 HD22 LEU 75 HD22 LEU 75 -12.644 -8.684 11.177
157 HD23 LEU 75 HD23 LEU 75 -13.205 -7.746 9.794
158 H ARG 76 HN ARG 76 -18.016 -6.488 10.974
159 HA ARG 76 HA ARG 76 -18.127 -5.481 13.606
160 HB2 ARG 76 HB3 ARG 76 -18.426 -4.090 11.572
161 HB3 ARG 76 HB2 ARG 76 -19.990 -4.860 11.298
162 HG2 ARG 76 HG3 ARG 76 -20.786 -4.036 13.486
163 HG3 ARG 76 HG2 ARG 76 -19.221 -3.271 13.767
164 HD2 ARG 76 HD3 ARG 76 -21.051 -2.641 11.435
165 HD3 ARG 76 HD2 ARG 76 -20.936 -1.677 12.905
166 HE ARG 76 HE ARG 76 -18.997 -1.783 10.744
167 HH11 ARG 76 HH21 ARG 76 -19.644 -1.044 14.063
168 HH12 ARG 76 HH22 ARG 76 -18.328 0.073 14.215
169 HH21 ARG 76 HH11 ARG 76 -17.271 -0.318 10.937
170 HH22 ARG 76 HH12 ARG 76 -16.984 0.483 12.446
171 H CYS 77 HN CYS 77 -20.390 -7.415 11.720
172 HA CYS 77 HA CYS 77 -22.602 -7.341 13.446
173 HB2 CYS 77 HB3 CYS 77 -22.670 -8.236 11.151
174 HB3 CYS 77 HB2 CYS 77 -21.664 -9.593 11.662
175 HG CYS 77 HG CYS 77 -24.243 -9.294 13.302
176 H SER 78 HN SER 78 -19.927 -9.677 13.241
177 HA SER 78 HA SER 78 -20.809 -11.033 15.671
178 HB2 SER 78 HB3 SER 78 -18.877 -12.508 15.239
179 HB3 SER 78 HB2 SER 78 -19.909 -12.365 13.819
180 HG SER 78 HG SER 78 -17.914 -11.994 13.049
181 H ILE 79 HN ILE 79 -20.245 -8.354 16.116
182 HA ILE 79 HA ILE 79 -18.858 -6.868 17.206
183 HB ILE 79 HB ILE 79 -18.283 -7.647 19.460
184 HG12 ILE 79 HG13 ILE 79 -19.298 -10.369 18.598
185 HG13 ILE 79 HG12 ILE 79 -17.581 -9.983 18.719
186 HG21 ILE 79 HG21 ILE 79 -20.564 -6.955 19.065
187 HG22 ILE 79 HG22 ILE 79 -20.598 -8.376 20.108
188 HG23 ILE 79 HG23 ILE 79 -20.971 -8.533 18.391
189 HD11 ILE 79 HD11 ILE 79 -19.614 -9.830 20.960
190 HD12 ILE 79 HD12 ILE 79 -17.926 -9.340 21.097
191 HD13 ILE 79 HD13 ILE 79 -18.333 -11.030 20.793
192 H ASP 80 HN ASP 80 -17.556 -8.579 15.157
193 HA ASP 80 HA ASP 80 -15.439 -9.031 14.371
194 HB2 ASP 80 HB3 ASP 80 -15.200 -6.608 14.715
195 HB3 ASP 80 HB2 ASP 80 -14.695 -6.891 16.379
Start of MODEL 2
1 H1 ASP 59 HT1 ASP 59 -5.672 -3.326 3.880
2 H2 ASP 59 HT2 ASP 59 -5.747 -4.536 5.069
3 H3 ASP 59 HT3 ASP 59 -4.957 -3.068 5.395
4 HA ASP 59 HA ASP 59 -7.768 -3.721 5.505
5 HB2 ASP 59 HB3 ASP 59 -5.918 -1.661 6.719
6 HB3 ASP 59 HB2 ASP 59 -7.653 -1.683 7.030
7 H THR 60 HN THR 60 -5.697 -1.194 4.121
8 HA THR 60 HA THR 60 -8.051 0.194 3.038
9 HB THR 60 HB THR 60 -6.442 1.971 2.464
10 HG1 THR 60 HG1 THR 60 -4.331 1.708 2.825
11 HG21 THR 60 HG21 THR 60 -5.662 2.395 4.901
12 HG22 THR 60 HG22 THR 60 -6.526 0.906 5.285
13 HG23 THR 60 HG23 THR 60 -7.393 2.278 4.595
14 H LEU 61 HN LEU 61 -8.360 0.478 0.885
15 HA LEU 61 HA LEU 61 -8.278 0.062 -1.356
16 HB2 LEU 61 HB3 LEU 61 -5.426 -0.869 -0.988
17 HB3 LEU 61 HB2 LEU 61 -6.182 -0.272 -2.460
18 HG LEU 61 HG LEU 61 -5.687 1.346 0.055
19 HD11 LEU 61 HD11 LEU 61 -3.657 0.831 -1.286
20 HD12 LEU 61 HD12 LEU 61 -4.057 2.548 -1.313
21 HD13 LEU 61 HD13 LEU 61 -4.441 1.533 -2.702
22 HD21 LEU 61 HD21 LEU 61 -6.354 3.234 -1.615
23 HD22 LEU 61 HD22 LEU 61 -7.639 2.265 -0.897
24 HD23 LEU 61 HD23 LEU 61 -7.105 1.936 -2.546
25 H LEU 62 HN LEU 62 -8.029 -2.094 1.021
26 HA LEU 62 HA LEU 62 -9.169 -4.220 -0.476
27 HB2 LEU 62 HB3 LEU 62 -7.286 -5.863 0.466
28 HB3 LEU 62 HB2 LEU 62 -7.108 -5.092 -1.106
29 HG LEU 62 HG LEU 62 -5.828 -3.245 0.044
30 HD11 LEU 62 HD11 LEU 62 -6.562 -3.516 2.329
31 HD12 LEU 62 HD12 LEU 62 -4.842 -3.897 2.276
32 HD13 LEU 62 HD13 LEU 62 -6.030 -5.196 2.348
33 HD21 LEU 62 HD21 LEU 62 -3.783 -4.693 0.379
34 HD22 LEU 62 HD22 LEU 62 -4.610 -4.917 -1.161
35 HD23 LEU 62 HD23 LEU 62 -4.831 -6.091 0.137
36 H GLY 63 HN GLY 63 -10.403 -3.019 1.258
37 HA2 GLY 63 HA3 GLY 63 -11.350 -4.544 3.249
38 HA3 GLY 63 HA2 GLY 63 -9.918 -3.852 4.000
39 H ARG 64 HN ARG 64 -10.762 -1.550 1.907
40 HA ARG 64 HA ARG 64 -12.700 -0.222 3.693
41 HB2 ARG 64 HB3 ARG 64 -10.186 0.878 2.433
42 HB3 ARG 64 HB2 ARG 64 -11.486 1.922 3.001
43 HG2 ARG 64 HG3 ARG 64 -10.311 -0.198 4.796
44 HG3 ARG 64 HG2 ARG 64 -9.544 1.376 4.643
45 HD2 ARG 64 HD3 ARG 64 -11.110 2.358 5.975
46 HD3 ARG 64 HD2 ARG 64 -12.443 1.608 5.101
47 HE ARG 64 HE ARG 64 -11.514 -0.475 6.507
48 HH11 ARG 64 HH21 ARG 64 -12.152 2.814 7.383
49 HH12 ARG 64 HH22 ARG 64 -12.558 2.444 9.025
50 HH21 ARG 64 HH11 ARG 64 -12.047 -0.967 8.659
51 HH22 ARG 64 HH12 ARG 64 -12.497 0.303 9.747
52 H ILE 65 HN ILE 65 -12.156 -1.485 0.661
53 HA ILE 65 HA ILE 65 -14.129 0.346 -0.547
54 HB ILE 65 HB ILE 65 -11.925 -0.998 -2.099
55 HG12 ILE 65 HG13 ILE 65 -12.016 1.838 -1.011
56 HG13 ILE 65 HG12 ILE 65 -10.953 0.559 -0.417
57 HG21 ILE 65 HG21 ILE 65 -14.113 -0.121 -3.168
58 HG22 ILE 65 HG22 ILE 65 -12.598 0.447 -3.859
59 HG23 ILE 65 HG23 ILE 65 -13.516 1.486 -2.770
60 HD11 ILE 65 HD11 ILE 65 -10.965 1.814 -3.166
61 HD12 ILE 65 HD12 ILE 65 -10.092 0.330 -2.791
62 HD13 ILE 65 HD13 ILE 65 -9.663 1.836 -1.978
63 H LEU 66 HN LEU 66 -12.643 -2.850 -1.362
64 HA LEU 66 HA LEU 66 -15.361 -3.747 -2.103
65 HB2 LEU 66 HB3 LEU 66 -13.172 -5.599 -2.839
66 HB3 LEU 66 HB2 LEU 66 -14.500 -4.981 -3.798
67 HG LEU 66 HG LEU 66 -12.057 -3.319 -3.121
68 HD11 LEU 66 HD11 LEU 66 -12.696 -5.048 -5.515
69 HD12 LEU 66 HD12 LEU 66 -11.279 -5.135 -4.467
70 HD13 LEU 66 HD13 LEU 66 -11.492 -3.761 -5.552
71 HD21 LEU 66 HD21 LEU 66 -12.939 -1.736 -4.609
72 HD22 LEU 66 HD22 LEU 66 -14.386 -2.312 -3.786
73 HD23 LEU 66 HD23 LEU 66 -13.993 -2.911 -5.395
74 HA PRO 67 HA PRO 67 -14.031 -7.278 0.743
75 HB2 PRO 67 HB3 PRO 67 -11.519 -6.554 2.108
76 HB3 PRO 67 HB2 PRO 67 -11.884 -7.997 1.145
77 HG2 PRO 67 HG3 PRO 67 -10.188 -6.112 0.279
78 HG3 PRO 67 HG2 PRO 67 -11.237 -7.005 -0.833
79 HD2 PRO 67 HD3 PRO 67 -11.677 -4.248 0.328
80 HD3 PRO 67 HD2 PRO 67 -11.811 -4.777 -1.356
81 H GLN 68 HN GLN 68 -13.774 -3.949 1.475
82 HA GLN 68 HA GLN 68 -13.851 -3.932 4.263
83 HB2 GLN 68 HB3 GLN 68 -14.575 -1.716 4.080
84 HB3 GLN 68 HB2 GLN 68 -13.777 -1.990 2.549
85 HG2 GLN 68 HG3 GLN 68 -15.923 -2.379 1.440
86 HG3 GLN 68 HG2 GLN 68 -16.774 -2.178 2.970
87 HE21 GLN 68 HE21 GLN 68 -16.319 -0.010 4.116
88 HE22 GLN 68 HE22 GLN 68 -16.212 1.369 3.103
89 H LEU 69 HN LEU 69 -16.076 -4.915 1.909
90 HA LEU 69 HA LEU 69 -18.530 -4.643 3.233
91 HB2 LEU 69 HB3 LEU 69 -17.585 -6.720 1.236
92 HB3 LEU 69 HB2 LEU 69 -19.263 -6.522 1.733
93 HG LEU 69 HG LEU 69 -17.583 -4.322 0.492
94 HD11 LEU 69 HD11 LEU 69 -17.871 -5.975 -1.200
95 HD12 LEU 69 HD12 LEU 69 -19.122 -4.769 -1.501
96 HD13 LEU 69 HD13 LEU 69 -19.535 -6.292 -0.711
97 HD21 LEU 69 HD21 LEU 69 -19.304 -3.213 1.621
98 HD22 LEU 69 HD22 LEU 69 -20.439 -4.544 1.425
99 HD23 LEU 69 HD23 LEU 69 -20.064 -3.494 0.060
100 H VAL 70 HN VAL 70 -16.065 -7.137 3.297
101 HA VAL 70 HA VAL 70 -17.581 -8.626 5.325
102 HB VAL 70 HB VAL 70 -15.772 -10.324 5.074
103 HG11 VAL 70 HG11 VAL 70 -16.491 -11.073 2.843
104 HG12 VAL 70 HG12 VAL 70 -17.111 -9.460 2.493
105 HG13 VAL 70 HG13 VAL 70 -17.862 -10.439 3.755
106 HG21 VAL 70 HG21 VAL 70 -14.105 -10.106 3.373
107 HG22 VAL 70 HG22 VAL 70 -14.066 -8.590 4.270
108 HG23 VAL 70 HG23 VAL 70 -14.874 -8.668 2.704
109 H CYS 71 HN CYS 71 -16.537 -6.020 5.933
110 HA CYS 71 HA CYS 71 -14.695 -6.755 8.135
111 HB2 CYS 71 HB3 CYS 71 -14.437 -4.231 6.495
112 HB3 CYS 71 HB2 CYS 71 -13.357 -4.797 7.766
113 HG CYS 71 HG CYS 71 -13.447 -6.930 5.691
114 H ARG 72 HN ARG 72 -16.855 -4.261 6.786
115 HA ARG 72 HA ARG 72 -17.432 -3.316 9.514
116 HB2 ARG 72 HB3 ARG 72 -17.594 -2.113 6.786
117 HB3 ARG 72 HB2 ARG 72 -18.788 -1.571 7.961
118 HG2 ARG 72 HG3 ARG 72 -16.968 -0.063 8.191
119 HG3 ARG 72 HG2 ARG 72 -16.797 -1.162 9.554
120 HD2 ARG 72 HD3 ARG 72 -14.622 -1.005 8.621
121 HD3 ARG 72 HD2 ARG 72 -15.252 -2.541 8.036
122 HE ARG 72 HE ARG 72 -15.331 -1.653 5.875
123 HH11 ARG 72 HH21 ARG 72 -14.803 0.782 8.279
124 HH12 ARG 72 HH22 ARG 72 -14.388 2.022 7.145
125 HH21 ARG 72 HH11 ARG 72 -14.778 -0.004 4.369
126 HH22 ARG 72 HH12 ARG 72 -14.377 1.578 4.940
127 H LEU 73 HN LEU 73 -18.691 -5.430 7.191
128 HA LEU 73 HA LEU 73 -21.456 -5.046 8.201
129 HB2 LEU 73 HB3 LEU 73 -20.707 -6.773 5.859
130 HB3 LEU 73 HB2 LEU 73 -22.272 -6.090 6.265
131 HG LEU 73 HG LEU 73 -19.828 -4.510 5.406
132 HD11 LEU 73 HD11 LEU 73 -22.412 -5.288 4.038
133 HD12 LEU 73 HD12 LEU 73 -20.761 -5.590 3.496
134 HD13 LEU 73 HD13 LEU 73 -21.410 -3.950 3.476
135 HD21 LEU 73 HD21 LEU 73 -22.602 -3.712 6.323
136 HD22 LEU 73 HD22 LEU 73 -21.616 -2.650 5.318
137 HD23 LEU 73 HD23 LEU 73 -21.048 -3.128 6.916
138 H VAL 74 HN VAL 74 -18.878 -7.428 7.819
139 HA VAL 74 HA VAL 74 -20.529 -9.472 9.165
140 HB VAL 74 HB VAL 74 -17.807 -9.726 7.872
141 HG11 VAL 74 HG11 VAL 74 -18.381 -12.159 7.938
142 HG12 VAL 74 HG12 VAL 74 -19.818 -11.762 8.879
143 HG13 VAL 74 HG13 VAL 74 -18.216 -11.456 9.546
144 HG21 VAL 74 HG21 VAL 74 -20.541 -10.532 6.832
145 HG22 VAL 74 HG22 VAL 74 -19.002 -10.701 5.987
146 HG23 VAL 74 HG23 VAL 74 -19.664 -9.097 6.305
147 H LEU 75 HN LEU 75 -17.149 -8.293 9.387
148 HA LEU 75 HA LEU 75 -16.689 -9.447 11.930
149 HB2 LEU 75 HB3 LEU 75 -15.297 -7.333 10.311
150 HB3 LEU 75 HB2 LEU 75 -14.774 -7.669 11.958
151 HG LEU 75 HG LEU 75 -14.338 -9.985 11.417
152 HD11 LEU 75 HD11 LEU 75 -14.631 -10.668 8.938
153 HD12 LEU 75 HD12 LEU 75 -15.706 -9.274 8.820
154 HD13 LEU 75 HD13 LEU 75 -16.082 -10.585 9.936
155 HD21 LEU 75 HD21 LEU 75 -12.680 -8.158 10.732
156 HD22 LEU 75 HD22 LEU 75 -13.281 -8.368 9.087
157 HD23 LEU 75 HD23 LEU 75 -12.495 -9.711 9.917
158 H ARG 76 HN ARG 76 -18.263 -6.541 10.960
159 HA ARG 76 HA ARG 76 -17.912 -4.962 13.252
160 HB2 ARG 76 HB3 ARG 76 -18.876 -4.103 11.173
161 HB3 ARG 76 HB2 ARG 76 -20.308 -5.103 11.416
162 HG2 ARG 76 HG3 ARG 76 -20.858 -3.914 13.463
163 HG3 ARG 76 HG2 ARG 76 -19.349 -3.002 13.382
164 HD2 ARG 76 HD3 ARG 76 -21.222 -1.649 12.540
165 HD3 ARG 76 HD2 ARG 76 -20.071 -1.994 11.251
166 HE ARG 76 HE ARG 76 -21.679 -3.338 10.222
167 HH11 ARG 76 HH21 ARG 76 -22.628 -2.415 13.417
168 HH12 ARG 76 HH22 ARG 76 -24.250 -3.000 13.253
169 HH21 ARG 76 HH11 ARG 76 -23.805 -4.106 9.998
170 HH22 ARG 76 HH12 ARG 76 -24.916 -3.958 11.318
171 H CYS 77 HN CYS 77 -20.326 -7.469 12.520
172 HA CYS 77 HA CYS 77 -21.264 -7.310 15.337
173 HB2 CYS 77 HB3 CYS 77 -22.696 -8.298 12.865
174 HB3 CYS 77 HB2 CYS 77 -23.344 -8.348 14.503
175 HG CYS 77 HG CYS 77 -24.118 -6.115 13.268
176 H SER 78 HN SER 78 -19.972 -9.424 12.853
177 HA SER 78 HA SER 78 -20.646 -11.900 13.995
178 HB2 SER 78 HB3 SER 78 -19.749 -11.703 11.720
179 HB3 SER 78 HB2 SER 78 -18.199 -11.180 12.372
180 HG SER 78 HG SER 78 -17.869 -13.165 13.209
181 H ILE 79 HN ILE 79 -17.710 -9.931 14.413
182 HA ILE 79 HA ILE 79 -17.064 -11.535 16.830
183 HB ILE 79 HB ILE 79 -15.415 -11.746 14.981
184 HG12 ILE 79 HG13 ILE 79 -14.275 -10.151 17.288
185 HG13 ILE 79 HG12 ILE 79 -14.828 -11.817 17.464
186 HG21 ILE 79 HG21 ILE 79 -15.770 -9.437 14.080
187 HG22 ILE 79 HG22 ILE 79 -14.072 -9.837 14.327
188 HG23 ILE 79 HG23 ILE 79 -14.910 -8.798 15.479
189 HD11 ILE 79 HD11 ILE 79 -12.829 -10.993 15.352
190 HD12 ILE 79 HD12 ILE 79 -13.208 -12.623 15.908
191 HD13 ILE 79 HD13 ILE 79 -12.337 -11.510 16.965
192 H ASP 80 HN ASP 80 -17.995 -8.490 15.651
193 HA ASP 80 HA ASP 80 -18.000 -6.367 16.574
194 HB2 ASP 80 HB3 ASP 80 -19.671 -7.534 17.949
195 HB3 ASP 80 HB2 ASP 80 -18.404 -8.037 19.066
Start of MODEL 3
1 H1 ASP 59 HT1 ASP 59 -4.383 -1.249 4.577
2 H2 ASP 59 HT2 ASP 59 -4.658 -1.865 6.137
3 H3 ASP 59 HT3 ASP 59 -5.067 -0.257 5.770
4 HA ASP 59 HA ASP 59 -6.309 -2.611 4.465
5 HB2 ASP 59 HB3 ASP 59 -8.252 -2.143 5.910
6 HB3 ASP 59 HB2 ASP 59 -6.838 -2.593 6.864
7 H THR 60 HN THR 60 -5.686 -1.074 2.618
8 HA THR 60 HA THR 60 -7.977 0.681 2.099
9 HB THR 60 HB THR 60 -6.479 2.403 1.155
10 HG1 THR 60 HG1 THR 60 -4.224 2.077 2.117
11 HG21 THR 60 HG21 THR 60 -7.325 2.395 3.560
12 HG22 THR 60 HG22 THR 60 -5.896 3.382 3.254
13 HG23 THR 60 HG23 THR 60 -5.727 1.803 4.020
14 H LEU 61 HN LEU 61 -8.728 0.541 0.093
15 HA LEU 61 HA LEU 61 -8.919 -0.023 -2.109
16 HB2 LEU 61 HB3 LEU 61 -6.221 0.618 -1.891
17 HB3 LEU 61 HB2 LEU 61 -6.167 -1.009 -2.558
18 HG LEU 61 HG LEU 61 -7.823 1.264 -3.691
19 HD11 LEU 61 HD11 LEU 61 -5.471 1.768 -3.991
20 HD12 LEU 61 HD12 LEU 61 -6.110 1.197 -5.533
21 HD13 LEU 61 HD13 LEU 61 -5.142 0.121 -4.526
22 HD21 LEU 61 HD21 LEU 61 -8.821 -0.814 -4.305
23 HD22 LEU 61 HD22 LEU 61 -7.252 -1.580 -4.554
24 HD23 LEU 61 HD23 LEU 61 -7.827 -0.360 -5.688
25 H LEU 62 HN LEU 62 -8.281 -1.924 0.386
26 HA LEU 62 HA LEU 62 -9.450 -4.225 -0.790
27 HB2 LEU 62 HB3 LEU 62 -7.387 -5.707 -0.054
28 HB3 LEU 62 HB2 LEU 62 -7.409 -4.964 -1.648
29 HG LEU 62 HG LEU 62 -6.124 -3.011 -0.625
30 HD11 LEU 62 HD11 LEU 62 -4.809 -3.674 1.442
31 HD12 LEU 62 HD12 LEU 62 -5.950 -5.000 1.648
32 HD13 LEU 62 HD13 LEU 62 -6.514 -3.330 1.721
33 HD21 LEU 62 HD21 LEU 62 -4.952 -4.560 -2.016
34 HD22 LEU 62 HD22 LEU 62 -4.965 -5.796 -0.759
35 HD23 LEU 62 HD23 LEU 62 -3.967 -4.355 -0.568
36 H GLY 63 HN GLY 63 -10.494 -2.929 1.058
37 HA2 GLY 63 HA3 GLY 63 -11.139 -4.413 3.183
38 HA3 GLY 63 HA2 GLY 63 -9.623 -3.704 3.730
39 H ARG 64 HN ARG 64 -10.820 -1.455 1.730
40 HA ARG 64 HA ARG 64 -12.502 -0.132 3.757
41 HB2 ARG 64 HB3 ARG 64 -9.911 0.559 3.306
42 HB3 ARG 64 HB2 ARG 64 -10.691 1.572 2.105
43 HG2 ARG 64 HG3 ARG 64 -10.744 2.979 3.952
44 HG3 ARG 64 HG2 ARG 64 -12.304 2.175 4.125
45 HD2 ARG 64 HD3 ARG 64 -9.816 1.877 5.757
46 HD3 ARG 64 HD2 ARG 64 -11.497 1.863 6.275
47 HE ARG 64 HE ARG 64 -10.881 -0.453 4.710
48 HH11 ARG 64 HH21 ARG 64 -10.502 1.043 7.805
49 HH12 ARG 64 HH22 ARG 64 -10.326 -0.450 8.663
50 HH21 ARG 64 HH11 ARG 64 -10.640 -2.424 5.835
51 HH22 ARG 64 HH12 ARG 64 -10.405 -2.409 7.549
52 H ILE 65 HN ILE 65 -12.276 -1.301 0.620
53 HA ILE 65 HA ILE 65 -14.357 0.568 -0.311
54 HB ILE 65 HB ILE 65 -12.232 -0.620 -2.076
55 HG12 ILE 65 HG13 ILE 65 -12.352 2.121 -0.764
56 HG13 ILE 65 HG12 ILE 65 -11.183 0.853 -0.396
57 HG21 ILE 65 HG21 ILE 65 -13.100 0.788 -3.746
58 HG22 ILE 65 HG22 ILE 65 -13.851 1.880 -2.585
59 HG23 ILE 65 HG23 ILE 65 -14.572 0.309 -2.906
60 HD11 ILE 65 HD11 ILE 65 -11.363 2.630 -2.785
61 HD12 ILE 65 HD12 ILE 65 -10.770 0.990 -3.041
62 HD13 ILE 65 HD13 ILE 65 -9.943 2.062 -1.911
63 H LEU 66 HN LEU 66 -12.897 -2.528 -1.438
64 HA LEU 66 HA LEU 66 -15.623 -3.375 -2.166
65 HB2 LEU 66 HB3 LEU 66 -13.755 -5.346 -3.073
66 HB3 LEU 66 HB2 LEU 66 -14.707 -4.230 -4.027
67 HG LEU 66 HG LEU 66 -12.072 -3.393 -2.790
68 HD11 LEU 66 HD11 LEU 66 -12.648 -4.670 -5.471
69 HD12 LEU 66 HD12 LEU 66 -11.536 -5.245 -4.229
70 HD13 LEU 66 HD13 LEU 66 -11.173 -3.769 -5.123
71 HD21 LEU 66 HD21 LEU 66 -13.419 -2.327 -5.272
72 HD22 LEU 66 HD22 LEU 66 -12.238 -1.535 -4.228
73 HD23 LEU 66 HD23 LEU 66 -13.896 -1.752 -3.680
74 HA PRO 67 HA PRO 67 -14.546 -7.106 0.441
75 HB2 PRO 67 HB3 PRO 67 -12.160 -7.452 1.665
76 HB3 PRO 67 HB2 PRO 67 -12.403 -7.875 -0.044
77 HG2 PRO 67 HG3 PRO 67 -11.178 -5.431 1.128
78 HG3 PRO 67 HG2 PRO 67 -10.612 -6.414 -0.227
79 HD2 PRO 67 HD3 PRO 67 -11.997 -4.068 -0.568
80 HD3 PRO 67 HD2 PRO 67 -12.064 -5.417 -1.720
81 H GLN 68 HN GLN 68 -13.907 -3.886 1.341
82 HA GLN 68 HA GLN 68 -13.647 -4.056 4.125
83 HB2 GLN 68 HB3 GLN 68 -14.324 -1.798 4.187
84 HB3 GLN 68 HB2 GLN 68 -13.610 -1.980 2.598
85 HG2 GLN 68 HG3 GLN 68 -15.785 -2.127 1.547
86 HG3 GLN 68 HG2 GLN 68 -16.599 -2.172 3.108
87 HE21 GLN 68 HE21 GLN 68 -16.090 -0.202 4.571
88 HE22 GLN 68 HE22 GLN 68 -16.024 1.314 3.777
89 H LEU 69 HN LEU 69 -16.165 -4.729 1.972
90 HA LEU 69 HA LEU 69 -18.455 -4.457 3.566
91 HB2 LEU 69 HB3 LEU 69 -17.815 -6.405 1.330
92 HB3 LEU 69 HB2 LEU 69 -19.424 -6.183 2.010
93 HG LEU 69 HG LEU 69 -17.783 -3.947 0.779
94 HD11 LEU 69 HD11 LEU 69 -19.971 -5.680 -0.405
95 HD12 LEU 69 HD12 LEU 69 -18.298 -5.563 -0.951
96 HD13 LEU 69 HD13 LEU 69 -19.387 -4.189 -1.140
97 HD21 LEU 69 HD21 LEU 69 -20.581 -4.182 1.886
98 HD22 LEU 69 HD22 LEU 69 -20.233 -3.002 0.625
99 HD23 LEU 69 HD23 LEU 69 -19.383 -2.918 2.163
100 H VAL 70 HN VAL 70 -16.133 -7.056 3.163
101 HA VAL 70 HA VAL 70 -17.498 -8.637 5.227
102 HB VAL 70 HB VAL 70 -15.841 -10.392 4.650
103 HG11 VAL 70 HG11 VAL 70 -16.725 -10.722 2.266
104 HG12 VAL 70 HG12 VAL 70 -17.547 -9.176 2.472
105 HG13 VAL 70 HG13 VAL 70 -17.940 -10.531 3.529
106 HG21 VAL 70 HG21 VAL 70 -14.323 -10.125 2.822
107 HG22 VAL 70 HG22 VAL 70 -14.111 -8.687 3.818
108 HG23 VAL 70 HG23 VAL 70 -15.064 -8.603 2.336
109 H CYS 71 HN CYS 71 -16.298 -6.156 5.945
110 HA CYS 71 HA CYS 71 -14.260 -7.142 7.857
111 HB2 CYS 71 HB3 CYS 71 -13.172 -5.982 5.895
112 HB3 CYS 71 HB2 CYS 71 -14.021 -4.515 6.382
113 HG CYS 71 HG CYS 71 -12.503 -5.669 8.731
114 H ARG 72 HN ARG 72 -16.453 -4.481 6.950
115 HA ARG 72 HA ARG 72 -16.678 -3.758 9.808
116 HB2 ARG 72 HB3 ARG 72 -16.966 -2.245 7.238
117 HB3 ARG 72 HB2 ARG 72 -17.943 -1.723 8.607
118 HG2 ARG 72 HG3 ARG 72 -15.968 -0.441 8.792
119 HG3 ARG 72 HG2 ARG 72 -15.721 -1.735 9.957
120 HD2 ARG 72 HD3 ARG 72 -13.691 -1.580 8.716
121 HD3 ARG 72 HD2 ARG 72 -14.523 -3.000 8.093
122 HE ARG 72 HE ARG 72 -14.861 -1.875 6.070
123 HH11 ARG 72 HH21 ARG 72 -13.709 0.227 8.567
124 HH12 ARG 72 HH22 ARG 72 -13.403 1.560 7.506
125 HH21 ARG 72 HH11 ARG 72 -14.454 -0.112 4.663
126 HH22 ARG 72 HH12 ARG 72 -13.824 1.367 5.300
127 H LEU 73 HN LEU 73 -18.332 -5.443 7.346
128 HA LEU 73 HA LEU 73 -20.945 -4.924 8.663
129 HB2 LEU 73 HB3 LEU 73 -20.582 -6.315 6.025
130 HB3 LEU 73 HB2 LEU 73 -22.030 -5.574 6.682
131 HG LEU 73 HG LEU 73 -19.514 -4.097 5.848
132 HD11 LEU 73 HD11 LEU 73 -20.826 -3.261 4.018
133 HD12 LEU 73 HD12 LEU 73 -22.300 -3.989 4.662
134 HD13 LEU 73 HD13 LEU 73 -21.013 -5.015 4.024
135 HD21 LEU 73 HD21 LEU 73 -20.456 -2.868 7.656
136 HD22 LEU 73 HD22 LEU 73 -22.107 -3.218 7.144
137 HD23 LEU 73 HD23 LEU 73 -21.112 -2.097 6.213
138 H VAL 74 HN VAL 74 -18.798 -7.525 7.554
139 HA VAL 74 HA VAL 74 -20.563 -9.549 8.726
140 HB VAL 74 HB VAL 74 -17.907 -9.828 7.305
141 HG11 VAL 74 HG11 VAL 74 -18.276 -11.737 8.748
142 HG12 VAL 74 HG12 VAL 74 -18.679 -12.225 7.104
143 HG13 VAL 74 HG13 VAL 74 -19.963 -11.846 8.250
144 HG21 VAL 74 HG21 VAL 74 -20.762 -10.280 6.376
145 HG22 VAL 74 HG22 VAL 74 -19.312 -10.589 5.422
146 HG23 VAL 74 HG23 VAL 74 -19.729 -8.938 5.884
147 H LEU 75 HN LEU 75 -17.123 -8.617 9.102
148 HA LEU 75 HA LEU 75 -16.700 -10.213 11.394
149 HB2 LEU 75 HB3 LEU 75 -15.256 -7.831 10.261
150 HB3 LEU 75 HB2 LEU 75 -14.738 -8.570 11.769
151 HG LEU 75 HG LEU 75 -13.557 -9.412 9.685
152 HD11 LEU 75 HD11 LEU 75 -15.038 -11.730 10.905
153 HD12 LEU 75 HD12 LEU 75 -14.001 -10.740 11.930
154 HD13 LEU 75 HD13 LEU 75 -13.326 -11.565 10.530
155 HD21 LEU 75 HD21 LEU 75 -14.710 -10.811 8.136
156 HD22 LEU 75 HD22 LEU 75 -15.717 -9.377 8.326
157 HD23 LEU 75 HD23 LEU 75 -16.150 -10.871 9.153
158 H ARG 76 HN ARG 76 -17.725 -6.864 10.989
159 HA ARG 76 HA ARG 76 -17.606 -6.045 13.664
160 HB2 ARG 76 HB3 ARG 76 -17.955 -4.503 11.770
161 HB3 ARG 76 HB2 ARG 76 -19.565 -5.182 11.531
162 HG2 ARG 76 HG3 ARG 76 -20.245 -4.456 13.763
163 HG3 ARG 76 HG2 ARG 76 -18.615 -3.863 14.092
164 HD2 ARG 76 HD3 ARG 76 -20.070 -2.006 13.427
165 HD3 ARG 76 HD2 ARG 76 -18.828 -2.275 12.206
166 HE ARG 76 HE ARG 76 -20.485 -2.995 10.728
167 HH11 ARG 76 HH21 ARG 76 -21.696 -2.661 13.952
168 HH12 ARG 76 HH22 ARG 76 -23.355 -2.856 13.497
169 HH21 ARG 76 HH11 ARG 76 -22.661 -3.250 10.123
170 HH22 ARG 76 HH12 ARG 76 -23.902 -3.189 11.329
171 H CYS 77 HN CYS 77 -20.180 -7.630 11.827
172 HA CYS 77 HA CYS 77 -22.138 -7.567 13.832
173 HB2 CYS 77 HB3 CYS 77 -22.638 -8.108 11.489
174 HB3 CYS 77 HB2 CYS 77 -21.735 -9.614 11.647
175 HG CYS 77 HG CYS 77 -23.572 -10.603 13.072
176 H SER 78 HN SER 78 -19.734 -10.062 13.030
177 HA SER 78 HA SER 78 -20.577 -11.873 15.027
178 HB2 SER 78 HB3 SER 78 -17.950 -11.613 13.574
179 HB3 SER 78 HB2 SER 78 -18.363 -12.959 14.632
180 HG SER 78 HG SER 78 -18.827 -13.083 12.239
181 H ILE 79 HN ILE 79 -18.025 -9.396 15.062
182 HA ILE 79 HA ILE 79 -17.384 -10.101 17.849
183 HB ILE 79 HB ILE 79 -15.607 -9.671 16.065
184 HG12 ILE 79 HG13 ILE 79 -15.459 -7.907 18.530
185 HG13 ILE 79 HG12 ILE 79 -15.234 -9.656 18.570
186 HG21 ILE 79 HG21 ILE 79 -15.145 -7.486 15.349
187 HG22 ILE 79 HG22 ILE 79 -16.075 -6.752 16.654
188 HG23 ILE 79 HG23 ILE 79 -16.905 -7.530 15.312
189 HD11 ILE 79 HD11 ILE 79 -13.055 -8.564 18.421
190 HD12 ILE 79 HD12 ILE 79 -13.572 -7.675 16.989
191 HD13 ILE 79 HD13 ILE 79 -13.383 -9.428 16.920
192 H ASP 80 HN ASP 80 -18.868 -7.564 15.964
193 HA ASP 80 HA ASP 80 -19.706 -5.474 16.577
194 HB2 ASP 80 HB3 ASP 80 -20.788 -6.863 19.013
195 HB3 ASP 80 HB2 ASP 80 -21.565 -5.673 17.971
Start of MODEL 4
1 H1 ASP 59 HT1 ASP 59 -7.536 -1.585 4.408
2 H2 ASP 59 HT2 ASP 59 -7.192 -0.746 5.844
3 H3 ASP 59 HT3 ASP 59 -6.459 -0.274 4.386
4 HA ASP 59 HA ASP 59 -9.366 -0.294 4.410
5 HB2 ASP 59 HB3 ASP 59 -9.488 1.864 5.544
6 HB3 ASP 59 HB2 ASP 59 -8.813 0.648 6.629
7 H THR 60 HN THR 60 -8.082 -0.584 2.171
8 HA THR 60 HA THR 60 -8.564 1.772 0.725
9 HB THR 60 HB THR 60 -6.645 2.814 1.566
10 HG1 THR 60 HG1 THR 60 -6.668 2.602 -0.765
11 HG21 THR 60 HG21 THR 60 -4.428 1.451 1.595
12 HG22 THR 60 HG22 THR 60 -5.476 0.037 1.510
13 HG23 THR 60 HG23 THR 60 -5.612 1.155 2.866
14 H LEU 61 HN LEU 61 -9.492 0.626 -0.835
15 HA LEU 61 HA LEU 61 -9.650 -0.571 -2.773
16 HB2 LEU 61 HB3 LEU 61 -7.019 0.378 -2.775
17 HB3 LEU 61 HB2 LEU 61 -6.821 -1.344 -3.068
18 HG LEU 61 HG LEU 61 -8.704 0.453 -4.631
19 HD11 LEU 61 HD11 LEU 61 -7.000 0.172 -6.453
20 HD12 LEU 61 HD12 LEU 61 -5.921 -0.566 -5.269
21 HD13 LEU 61 HD13 LEU 61 -6.414 1.117 -5.084
22 HD21 LEU 61 HD21 LEU 61 -9.466 -1.812 -4.742
23 HD22 LEU 61 HD22 LEU 61 -7.822 -2.433 -4.884
24 HD23 LEU 61 HD23 LEU 61 -8.551 -1.551 -6.225
25 H LEU 62 HN LEU 62 -8.505 -1.695 0.093
26 HA LEU 62 HA LEU 62 -9.477 -4.342 -0.407
27 HB2 LEU 62 HB3 LEU 62 -7.166 -5.241 0.619
28 HB3 LEU 62 HB2 LEU 62 -7.387 -5.053 -1.118
29 HG LEU 62 HG LEU 62 -6.375 -2.790 -0.987
30 HD11 LEU 62 HD11 LEU 62 -6.873 -2.148 1.280
31 HD12 LEU 62 HD12 LEU 62 -5.119 -2.269 1.155
32 HD13 LEU 62 HD13 LEU 62 -6.039 -3.564 1.921
33 HD21 LEU 62 HD21 LEU 62 -4.703 -5.005 0.226
34 HD22 LEU 62 HD22 LEU 62 -4.072 -3.565 -0.573
35 HD23 LEU 62 HD23 LEU 62 -4.986 -4.757 -1.497
36 H GLY 63 HN GLY 63 -10.547 -2.552 1.109
37 HA2 GLY 63 HA3 GLY 63 -10.941 -3.583 3.594
38 HA3 GLY 63 HA2 GLY 63 -9.568 -2.507 3.812
39 H ARG 64 HN ARG 64 -11.137 -1.103 1.375
40 HA ARG 64 HA ARG 64 -13.072 0.390 3.015
41 HB2 ARG 64 HB3 ARG 64 -10.748 1.398 1.437
42 HB3 ARG 64 HB2 ARG 64 -12.228 2.345 1.351
43 HG2 ARG 64 HG3 ARG 64 -11.280 1.468 4.071
44 HG3 ARG 64 HG2 ARG 64 -10.407 2.772 3.276
45 HD2 ARG 64 HD3 ARG 64 -12.135 3.761 4.640
46 HD3 ARG 64 HD2 ARG 64 -12.595 3.969 2.956
47 HE ARG 64 HE ARG 64 -13.709 1.582 4.129
48 HH11 ARG 64 HH21 ARG 64 -14.008 5.009 3.769
49 HH12 ARG 64 HH22 ARG 64 -15.721 5.025 4.027
50 HH21 ARG 64 HH11 ARG 64 -15.953 1.594 4.468
51 HH22 ARG 64 HH12 ARG 64 -16.822 3.091 4.422
52 H ILE 65 HN ILE 65 -12.633 -1.619 0.422
53 HA ILE 65 HA ILE 65 -15.029 -0.555 -0.909
54 HB ILE 65 HB ILE 65 -12.680 -1.674 -2.428
55 HG12 ILE 65 HG13 ILE 65 -13.403 1.230 -1.880
56 HG13 ILE 65 HG12 ILE 65 -11.994 0.391 -1.238
57 HG21 ILE 65 HG21 ILE 65 -15.145 -1.545 -3.330
58 HG22 ILE 65 HG22 ILE 65 -13.837 -0.945 -4.345
59 HG23 ILE 65 HG23 ILE 65 -14.839 0.185 -3.435
60 HD11 ILE 65 HD11 ILE 65 -10.992 1.319 -3.071
61 HD12 ILE 65 HD12 ILE 65 -12.498 1.414 -3.980
62 HD13 ILE 65 HD13 ILE 65 -11.632 -0.118 -3.868
63 H LEU 66 HN LEU 66 -12.873 -3.415 -1.442
64 HA LEU 66 HA LEU 66 -15.314 -5.009 -1.712
65 HB2 LEU 66 HB3 LEU 66 -12.860 -6.586 -2.034
66 HB3 LEU 66 HB2 LEU 66 -14.201 -6.353 -3.132
67 HG LEU 66 HG LEU 66 -12.003 -4.297 -2.752
68 HD11 LEU 66 HD11 LEU 66 -11.042 -6.309 -3.705
69 HD12 LEU 66 HD12 LEU 66 -11.232 -5.106 -4.982
70 HD13 LEU 66 HD13 LEU 66 -12.375 -6.441 -4.852
71 HD21 LEU 66 HD21 LEU 66 -13.888 -4.547 -5.090
72 HD22 LEU 66 HD22 LEU 66 -13.002 -3.133 -4.523
73 HD23 LEU 66 HD23 LEU 66 -14.404 -3.708 -3.629
74 HA PRO 67 HA PRO 67 -13.533 -7.514 1.884
75 HB2 PRO 67 HB3 PRO 67 -11.225 -6.021 3.001
76 HB3 PRO 67 HB2 PRO 67 -11.331 -7.732 2.540
77 HG2 PRO 67 HG3 PRO 67 -9.885 -6.030 1.108
78 HG3 PRO 67 HG2 PRO 67 -10.837 -7.299 0.318
79 HD2 PRO 67 HD3 PRO 67 -11.587 -4.391 0.705
80 HD3 PRO 67 HD2 PRO 67 -11.616 -5.353 -0.779
81 H GLN 68 HN GLN 68 -13.723 -4.145 1.730
82 HA GLN 68 HA GLN 68 -13.986 -3.313 4.361
83 HB2 GLN 68 HB3 GLN 68 -13.833 -1.755 2.592
84 HB3 GLN 68 HB2 GLN 68 -15.261 -2.374 1.799
85 HG2 GLN 68 HG3 GLN 68 -15.542 -1.384 4.622
86 HG3 GLN 68 HG2 GLN 68 -15.373 -0.181 3.345
87 HE21 GLN 68 HE21 GLN 68 -17.644 -1.926 5.040
88 HE22 GLN 68 HE22 GLN 68 -18.919 -1.895 3.899
89 H LEU 69 HN LEU 69 -16.377 -4.453 2.055
90 HA LEU 69 HA LEU 69 -18.655 -4.121 3.648
91 HB2 LEU 69 HB3 LEU 69 -18.076 -6.030 1.370
92 HB3 LEU 69 HB2 LEU 69 -19.676 -5.804 2.072
93 HG LEU 69 HG LEU 69 -18.000 -3.576 0.875
94 HD11 LEU 69 HD11 LEU 69 -20.207 -5.289 -0.281
95 HD12 LEU 69 HD12 LEU 69 -18.593 -5.011 -0.933
96 HD13 LEU 69 HD13 LEU 69 -19.788 -3.714 -0.953
97 HD21 LEU 69 HD21 LEU 69 -19.491 -2.477 2.286
98 HD22 LEU 69 HD22 LEU 69 -20.721 -3.731 2.152
99 HD23 LEU 69 HD23 LEU 69 -20.477 -2.589 0.833
100 H VAL 70 HN VAL 70 -16.412 -6.800 3.264
101 HA VAL 70 HA VAL 70 -17.902 -8.336 5.280
102 HB VAL 70 HB VAL 70 -16.329 -10.177 4.651
103 HG11 VAL 70 HG11 VAL 70 -18.507 -10.200 3.669
104 HG12 VAL 70 HG12 VAL 70 -17.381 -10.456 2.336
105 HG13 VAL 70 HG13 VAL 70 -18.108 -8.868 2.586
106 HG21 VAL 70 HG21 VAL 70 -15.631 -8.433 2.285
107 HG22 VAL 70 HG22 VAL 70 -14.879 -9.948 2.785
108 HG23 VAL 70 HG23 VAL 70 -14.613 -8.479 3.725
109 H CYS 71 HN CYS 71 -16.287 -5.945 5.976
110 HA CYS 71 HA CYS 71 -14.467 -7.290 7.900
111 HB2 CYS 71 HB3 CYS 71 -13.035 -6.353 6.186
112 HB3 CYS 71 HB2 CYS 71 -13.861 -4.797 6.292
113 HG CYS 71 HG CYS 71 -12.083 -5.983 8.581
114 H ARG 72 HN ARG 72 -16.254 -4.318 7.087
115 HA ARG 72 HA ARG 72 -16.348 -3.641 9.957
116 HB2 ARG 72 HB3 ARG 72 -16.604 -2.066 7.414
117 HB3 ARG 72 HB2 ARG 72 -17.424 -1.465 8.852
118 HG2 ARG 72 HG3 ARG 72 -15.300 -0.422 8.898
119 HG3 ARG 72 HG2 ARG 72 -15.148 -1.738 10.055
120 HD2 ARG 72 HD3 ARG 72 -13.183 -1.779 8.675
121 HD3 ARG 72 HD2 ARG 72 -14.182 -3.139 8.180
122 HE ARG 72 HE ARG 72 -14.524 -2.096 6.122
123 HH11 ARG 72 HH21 ARG 72 -13.151 0.051 8.464
124 HH12 ARG 72 HH22 ARG 72 -12.801 1.309 7.324
125 HH21 ARG 72 HH11 ARG 72 -14.051 -0.434 4.607
126 HH22 ARG 72 HH12 ARG 72 -13.311 1.032 5.151
127 H LEU 73 HN LEU 73 -18.255 -5.118 7.543
128 HA LEU 73 HA LEU 73 -20.743 -4.405 9.001
129 HB2 LEU 73 HB3 LEU 73 -20.663 -5.690 6.290
130 HB3 LEU 73 HB2 LEU 73 -21.985 -4.833 7.058
131 HG LEU 73 HG LEU 73 -19.373 -3.581 6.156
132 HD11 LEU 73 HD11 LEU 73 -20.619 -2.603 4.378
133 HD12 LEU 73 HD12 LEU 73 -22.159 -3.087 5.089
134 HD13 LEU 73 HD13 LEU 73 -21.089 -4.304 4.391
135 HD21 LEU 73 HD21 LEU 73 -20.138 -2.350 8.052
136 HD22 LEU 73 HD22 LEU 73 -21.827 -2.503 7.568
137 HD23 LEU 73 HD23 LEU 73 -20.740 -1.453 6.659
138 H VAL 74 HN VAL 74 -18.702 -7.073 7.992
139 HA VAL 74 HA VAL 74 -20.643 -9.007 9.122
140 HB VAL 74 HB VAL 74 -18.254 -9.443 7.318
141 HG11 VAL 74 HG11 VAL 74 -20.272 -11.316 8.570
142 HG12 VAL 74 HG12 VAL 74 -18.512 -11.398 8.663
143 HG13 VAL 74 HG13 VAL 74 -19.333 -11.755 7.142
144 HG21 VAL 74 HG21 VAL 74 -20.171 -8.347 6.211
145 HG22 VAL 74 HG22 VAL 74 -21.243 -9.609 6.815
146 HG23 VAL 74 HG23 VAL 74 -19.984 -10.006 5.644
147 H LEU 75 HN LEU 75 -17.088 -8.584 8.979
148 HA LEU 75 HA LEU 75 -16.547 -10.316 11.123
149 HB2 LEU 75 HB3 LEU 75 -14.842 -9.636 9.495
150 HB3 LEU 75 HB2 LEU 75 -14.917 -7.984 10.094
151 HG LEU 75 HG LEU 75 -14.159 -8.762 12.325
152 HD11 LEU 75 HD11 LEU 75 -14.298 -11.439 10.942
153 HD12 LEU 75 HD12 LEU 75 -14.864 -10.989 12.551
154 HD13 LEU 75 HD13 LEU 75 -13.141 -11.183 12.248
155 HD21 LEU 75 HD21 LEU 75 -11.861 -9.131 11.703
156 HD22 LEU 75 HD22 LEU 75 -12.563 -8.071 10.480
157 HD23 LEU 75 HD23 LEU 75 -12.332 -9.785 10.133
158 H ARG 76 HN ARG 76 -16.976 -6.803 11.019
159 HA ARG 76 HA ARG 76 -16.584 -6.508 13.869
160 HB2 ARG 76 HB3 ARG 76 -16.063 -4.813 11.945
161 HB3 ARG 76 HB2 ARG 76 -17.765 -4.393 12.082
162 HG2 ARG 76 HG3 ARG 76 -16.777 -2.879 13.573
163 HG3 ARG 76 HG2 ARG 76 -17.241 -4.192 14.652
164 HD2 ARG 76 HD3 ARG 76 -14.912 -3.389 15.051
165 HD3 ARG 76 HD2 ARG 76 -14.968 -5.088 14.607
166 HE ARG 76 HE ARG 76 -13.904 -4.561 12.596
167 HH11 ARG 76 HH21 ARG 76 -14.959 -1.726 14.279
168 HH12 ARG 76 HH22 ARG 76 -14.098 -0.628 13.253
169 HH21 ARG 76 HH11 ARG 76 -12.774 -3.125 11.244
170 HH22 ARG 76 HH12 ARG 76 -12.862 -1.419 11.535
171 H CYS 77 HN CYS 77 -18.991 -7.888 12.278
172 HA CYS 77 HA CYS 77 -21.126 -6.746 14.002
173 HB2 CYS 77 HB3 CYS 77 -21.598 -6.388 11.641
174 HB3 CYS 77 HB2 CYS 77 -21.354 -8.103 11.309
175 HG CYS 77 HG CYS 77 -23.424 -8.299 13.234
176 H SER 78 HN SER 78 -20.061 -9.760 12.435
177 HA SER 78 HA SER 78 -21.737 -11.480 13.883
178 HB2 SER 78 HB3 SER 78 -20.584 -12.184 11.846
179 HB3 SER 78 HB2 SER 78 -19.029 -12.035 12.657
180 HG SER 78 HG SER 78 -21.055 -13.935 12.957
181 H ILE 79 HN ILE 79 -18.406 -10.421 14.535
182 HA ILE 79 HA ILE 79 -18.651 -11.576 17.267
183 HB ILE 79 HB ILE 79 -16.201 -11.806 17.246
184 HG12 ILE 79 HG13 ILE 79 -16.398 -11.037 14.317
185 HG13 ILE 79 HG12 ILE 79 -15.791 -9.960 15.573
186 HG21 ILE 79 HG21 ILE 79 -16.116 -13.711 15.736
187 HG22 ILE 79 HG22 ILE 79 -17.495 -13.097 14.827
188 HG23 ILE 79 HG23 ILE 79 -17.709 -13.653 16.486
189 HD11 ILE 79 HD11 ILE 79 -13.847 -10.967 14.659
190 HD12 ILE 79 HD12 ILE 79 -14.597 -12.563 14.616
191 HD13 ILE 79 HD13 ILE 79 -14.139 -11.844 16.161
192 H ASP 80 HN ASP 80 -18.455 -8.712 15.502
193 HA ASP 80 HA ASP 80 -17.917 -6.535 16.068
194 HB2 ASP 80 HB3 ASP 80 -18.804 -7.517 18.788
195 HB3 ASP 80 HB2 ASP 80 -18.743 -5.836 18.260
Start of MODEL 5
1 H1 ASP 59 HT1 ASP 59 -5.336 -1.901 4.210
2 H2 ASP 59 HT2 ASP 59 -5.373 -3.479 4.835
3 H3 ASP 59 HT3 ASP 59 -5.041 -2.164 5.859
4 HA ASP 59 HA ASP 59 -7.536 -3.287 5.179
5 HB2 ASP 59 HB3 ASP 59 -6.579 -1.035 6.956
6 HB3 ASP 59 HB2 ASP 59 -8.263 -1.553 6.894
7 H THR 60 HN THR 60 -5.864 -0.981 3.521
8 HA THR 60 HA THR 60 -8.307 0.469 2.689
9 HB THR 60 HB THR 60 -6.816 2.298 2.023
10 HG1 THR 60 HG1 THR 60 -4.725 2.044 2.028
11 HG21 THR 60 HG21 THR 60 -6.135 1.472 4.847
12 HG22 THR 60 HG22 THR 60 -7.742 2.038 4.393
13 HG23 THR 60 HG23 THR 60 -6.347 3.104 4.214
14 H LEU 61 HN LEU 61 -8.741 0.683 0.579
15 HA LEU 61 HA LEU 61 -8.760 0.260 -1.668
16 HB2 LEU 61 HB3 LEU 61 -5.865 -0.583 -1.445
17 HB3 LEU 61 HB2 LEU 61 -6.717 -0.024 -2.879
18 HG LEU 61 HG LEU 61 -6.107 1.628 -0.411
19 HD11 LEU 61 HD11 LEU 61 -5.095 1.866 -3.258
20 HD12 LEU 61 HD12 LEU 61 -4.177 1.174 -1.920
21 HD13 LEU 61 HD13 LEU 61 -4.629 2.879 -1.892
22 HD21 LEU 61 HD21 LEU 61 -6.974 3.481 -2.031
23 HD22 LEU 61 HD22 LEU 61 -8.154 2.478 -1.195
24 HD23 LEU 61 HD23 LEU 61 -7.760 2.151 -2.883
25 H LEU 62 HN LEU 62 -8.310 -1.876 0.714
26 HA LEU 62 HA LEU 62 -9.477 -4.040 -0.705
27 HB2 LEU 62 HB3 LEU 62 -7.488 -5.628 0.062
28 HB3 LEU 62 HB2 LEU 62 -7.432 -4.815 -1.496
29 HG LEU 62 HG LEU 62 -6.141 -2.950 -0.355
30 HD11 LEU 62 HD11 LEU 62 -6.664 -3.336 1.960
31 HD12 LEU 62 HD12 LEU 62 -4.951 -3.692 1.753
32 HD13 LEU 62 HD13 LEU 62 -6.115 -5.011 1.859
33 HD21 LEU 62 HD21 LEU 62 -4.029 -4.238 -0.369
34 HD22 LEU 62 HD22 LEU 62 -5.053 -4.644 -1.747
35 HD23 LEU 62 HD23 LEU 62 -4.963 -5.735 -0.366
36 H GLY 63 HN GLY 63 -10.656 -2.940 1.113
37 HA2 GLY 63 HA3 GLY 63 -11.412 -4.503 3.135
38 HA3 GLY 63 HA2 GLY 63 -9.945 -3.800 3.806
39 H ARG 64 HN ARG 64 -10.996 -1.493 1.819
40 HA ARG 64 HA ARG 64 -12.793 -0.222 3.768
41 HB2 ARG 64 HB3 ARG 64 -10.351 0.597 3.703
42 HB3 ARG 64 HB2 ARG 64 -10.755 1.280 2.137
43 HG2 ARG 64 HG3 ARG 64 -11.044 3.011 3.771
44 HG3 ARG 64 HG2 ARG 64 -12.653 2.511 3.262
45 HD2 ARG 64 HD3 ARG 64 -12.246 2.833 5.787
46 HD3 ARG 64 HD2 ARG 64 -13.055 1.356 5.303
47 HE ARG 64 HE ARG 64 -11.155 0.152 5.970
48 HH11 ARG 64 HH21 ARG 64 -10.563 3.561 5.862
49 HH12 ARG 64 HH22 ARG 64 -9.031 3.461 6.667
50 HH21 ARG 64 HH11 ARG 64 -9.151 0.014 7.028
51 HH22 ARG 64 HH12 ARG 64 -8.232 1.452 7.325
52 H ILE 65 HN ILE 65 -12.399 -1.364 0.636
53 HA ILE 65 HA ILE 65 -14.532 0.419 -0.355
54 HB ILE 65 HB ILE 65 -12.434 -0.851 -2.106
55 HG12 ILE 65 HG13 ILE 65 -12.506 1.975 -0.991
56 HG13 ILE 65 HG12 ILE 65 -11.373 0.720 -0.485
57 HG21 ILE 65 HG21 ILE 65 -13.278 0.636 -3.773
58 HG22 ILE 65 HG22 ILE 65 -14.168 1.586 -2.585
59 HG23 ILE 65 HG23 ILE 65 -14.709 -0.035 -2.997
60 HD11 ILE 65 HD11 ILE 65 -10.230 2.019 -2.137
61 HD12 ILE 65 HD12 ILE 65 -11.621 1.990 -3.217
62 HD13 ILE 65 HD13 ILE 65 -10.700 0.515 -2.927
63 H LEU 66 HN LEU 66 -13.045 -2.730 -1.324
64 HA LEU 66 HA LEU 66 -15.786 -3.675 -1.902
65 HB2 LEU 66 HB3 LEU 66 -13.611 -5.472 -2.796
66 HB3 LEU 66 HB2 LEU 66 -15.005 -4.865 -3.666
67 HG LEU 66 HG LEU 66 -12.555 -3.166 -3.108
68 HD11 LEU 66 HD11 LEU 66 -11.806 -4.936 -4.516
69 HD12 LEU 66 HD12 LEU 66 -12.134 -3.568 -5.580
70 HD13 LEU 66 HD13 LEU 66 -13.289 -4.896 -5.471
71 HD21 LEU 66 HD21 LEU 66 -14.962 -2.222 -3.645
72 HD22 LEU 66 HD22 LEU 66 -14.594 -2.751 -5.283
73 HD23 LEU 66 HD23 LEU 66 -13.557 -1.570 -4.485
74 HA PRO 67 HA PRO 67 -14.223 -7.222 0.795
75 HB2 PRO 67 HB3 PRO 67 -11.638 -6.513 2.008
76 HB3 PRO 67 HB2 PRO 67 -12.044 -7.918 1.010
77 HG2 PRO 67 HG3 PRO 67 -10.432 -5.952 0.129
78 HG3 PRO 67 HG2 PRO 67 -11.512 -6.847 -0.955
79 HD2 PRO 67 HD3 PRO 67 -11.960 -4.135 0.299
80 HD3 PRO 67 HD2 PRO 67 -12.182 -4.631 -1.382
81 H GLN 68 HN GLN 68 -13.932 -3.905 1.600
82 HA GLN 68 HA GLN 68 -13.838 -3.964 4.388
83 HB2 GLN 68 HB3 GLN 68 -14.492 -1.732 4.277
84 HB3 GLN 68 HB2 GLN 68 -13.939 -2.001 2.641
85 HG2 GLN 68 HG3 GLN 68 -16.276 -2.433 1.921
86 HG3 GLN 68 HG2 GLN 68 -16.825 -2.079 3.560
87 HE21 GLN 68 HE21 GLN 68 -16.123 0.149 4.422
88 HE22 GLN 68 HE22 GLN 68 -16.127 1.441 3.295
89 H LEU 69 HN LEU 69 -16.198 -4.898 2.141
90 HA LEU 69 HA LEU 69 -18.580 -4.749 3.615
91 HB2 LEU 69 HB3 LEU 69 -17.696 -6.662 1.439
92 HB3 LEU 69 HB2 LEU 69 -19.346 -6.564 2.050
93 HG LEU 69 HG LEU 69 -17.824 -4.224 0.863
94 HD11 LEU 69 HD11 LEU 69 -18.169 -5.800 -0.905
95 HD12 LEU 69 HD12 LEU 69 -19.439 -4.588 -1.071
96 HD13 LEU 69 HD13 LEU 69 -19.807 -6.158 -0.356
97 HD21 LEU 69 HD21 LEU 69 -19.497 -3.237 2.149
98 HD22 LEU 69 HD22 LEU 69 -20.591 -4.609 1.985
99 HD23 LEU 69 HD23 LEU 69 -20.376 -3.487 0.644
100 H VAL 70 HN VAL 70 -16.061 -7.190 3.404
101 HA VAL 70 HA VAL 70 -17.484 -8.857 5.352
102 HB VAL 70 HB VAL 70 -15.658 -10.480 4.947
103 HG11 VAL 70 HG11 VAL 70 -17.698 -10.679 3.662
104 HG12 VAL 70 HG12 VAL 70 -16.343 -10.967 2.570
105 HG13 VAL 70 HG13 VAL 70 -17.176 -9.412 2.553
106 HG21 VAL 70 HG21 VAL 70 -14.011 -8.628 4.243
107 HG22 VAL 70 HG22 VAL 70 -14.820 -8.667 2.676
108 HG23 VAL 70 HG23 VAL 70 -13.998 -10.104 3.280
109 H CYS 71 HN CYS 71 -16.354 -6.263 6.074
110 HA CYS 71 HA CYS 71 -14.639 -7.211 8.288
111 HB2 CYS 71 HB3 CYS 71 -14.179 -4.711 6.647
112 HB3 CYS 71 HB2 CYS 71 -13.280 -5.169 8.093
113 HG CYS 71 HG CYS 71 -12.888 -6.359 5.302
114 H ARG 72 HN ARG 72 -16.199 -4.274 7.046
115 HA ARG 72 HA ARG 72 -16.942 -3.347 9.652
116 HB2 ARG 72 HB3 ARG 72 -17.707 -2.491 6.868
117 HB3 ARG 72 HB2 ARG 72 -18.334 -1.705 8.303
118 HG2 ARG 72 HG3 ARG 72 -16.482 -0.382 8.330
119 HG3 ARG 72 HG2 ARG 72 -15.534 -1.798 8.750
120 HD2 ARG 72 HD3 ARG 72 -16.153 -1.389 5.848
121 HD3 ARG 72 HD2 ARG 72 -14.981 -0.314 6.592
122 HE ARG 72 HE ARG 72 -14.601 -3.099 6.002
123 HH11 ARG 72 HH21 ARG 72 -13.776 -0.475 8.099
124 HH12 ARG 72 HH22 ARG 72 -12.220 -1.113 8.515
125 HH21 ARG 72 HH11 ARG 72 -12.555 -3.940 6.538
126 HH22 ARG 72 HH12 ARG 72 -11.530 -3.073 7.633
127 H LEU 73 HN LEU 73 -18.478 -5.365 7.206
128 HA LEU 73 HA LEU 73 -21.035 -5.191 8.699
129 HB2 LEU 73 HB3 LEU 73 -20.670 -6.505 6.019
130 HB3 LEU 73 HB2 LEU 73 -22.147 -5.920 6.764
131 HG LEU 73 HG LEU 73 -19.839 -4.188 5.824
132 HD11 LEU 73 HD11 LEU 73 -21.389 -5.268 4.090
133 HD12 LEU 73 HD12 LEU 73 -21.262 -3.509 4.043
134 HD13 LEU 73 HD13 LEU 73 -22.674 -4.273 4.774
135 HD21 LEU 73 HD21 LEU 73 -20.811 -3.086 7.699
136 HD22 LEU 73 HD22 LEU 73 -22.441 -3.590 7.255
137 HD23 LEU 73 HD23 LEU 73 -21.606 -2.363 6.302
138 H VAL 74 HN VAL 74 -18.318 -7.169 8.404
139 HA VAL 74 HA VAL 74 -19.888 -9.542 9.314
140 HB VAL 74 HB VAL 74 -17.375 -9.432 7.643
141 HG11 VAL 74 HG11 VAL 74 -17.662 -11.977 7.696
142 HG12 VAL 74 HG12 VAL 74 -18.718 -11.727 9.087
143 HG13 VAL 74 HG13 VAL 74 -17.025 -11.239 9.165
144 HG21 VAL 74 HG21 VAL 74 -20.135 -10.606 7.181
145 HG22 VAL 74 HG22 VAL 74 -18.792 -10.667 6.040
146 HG23 VAL 74 HG23 VAL 74 -19.527 -9.119 6.456
147 H LEU 75 HN LEU 75 -16.443 -8.538 9.404
148 HA LEU 75 HA LEU 75 -15.938 -9.869 11.845
149 HB2 LEU 75 HB3 LEU 75 -14.490 -7.549 10.554
150 HB3 LEU 75 HB2 LEU 75 -13.883 -8.452 11.934
151 HG LEU 75 HG LEU 75 -14.575 -9.696 9.255
152 HD11 LEU 75 HD11 LEU 75 -11.831 -9.124 10.405
153 HD12 LEU 75 HD12 LEU 75 -12.628 -8.081 9.228
154 HD13 LEU 75 HD13 LEU 75 -12.210 -9.739 8.795
155 HD21 LEU 75 HD21 LEU 75 -14.678 -11.469 10.775
156 HD22 LEU 75 HD22 LEU 75 -13.497 -10.746 11.868
157 HD23 LEU 75 HD23 LEU 75 -12.966 -11.498 10.365
158 H ARG 76 HN ARG 76 -16.866 -6.564 11.089
159 HA ARG 76 HA ARG 76 -16.694 -5.691 13.846
160 HB2 ARG 76 HB3 ARG 76 -16.264 -4.225 11.837
161 HB3 ARG 76 HB2 ARG 76 -17.998 -4.261 11.534
162 HG2 ARG 76 HG3 ARG 76 -18.468 -3.226 13.661
163 HG3 ARG 76 HG2 ARG 76 -16.784 -3.378 14.163
164 HD2 ARG 76 HD3 ARG 76 -17.767 -1.727 11.820
165 HD3 ARG 76 HD2 ARG 76 -17.299 -1.083 13.392
166 HE ARG 76 HE ARG 76 -15.169 -2.633 12.410
167 HH11 ARG 76 HH21 ARG 76 -16.916 0.273 11.715
168 HH12 ARG 76 HH22 ARG 76 -15.578 1.059 10.948
169 HH21 ARG 76 HH11 ARG 76 -13.409 -1.607 11.402
170 HH22 ARG 76 HH12 ARG 76 -13.592 -0.004 10.770
171 H CYS 77 HN CYS 77 -19.014 -7.339 11.990
172 HA CYS 77 HA CYS 77 -21.230 -6.446 13.745
173 HB2 CYS 77 HB3 CYS 77 -21.550 -6.193 11.294
174 HB3 CYS 77 HB2 CYS 77 -21.385 -7.941 11.125
175 HG CYS 77 HG CYS 77 -23.964 -6.978 11.498
176 H SER 78 HN SER 78 -20.007 -9.435 12.215
177 HA SER 78 HA SER 78 -21.640 -11.194 13.651
178 HB2 SER 78 HB3 SER 78 -18.934 -11.647 12.398
179 HB3 SER 78 HB2 SER 78 -19.963 -12.932 13.020
180 HG SER 78 HG SER 78 -21.604 -12.108 11.577
181 H ILE 79 HN ILE 79 -18.380 -9.993 14.439
182 HA ILE 79 HA ILE 79 -18.650 -11.294 17.105
183 HB ILE 79 HB ILE 79 -16.198 -11.382 17.175
184 HG12 ILE 79 HG13 ILE 79 -16.306 -10.462 14.286
185 HG13 ILE 79 HG12 ILE 79 -15.831 -9.421 15.627
186 HG21 ILE 79 HG21 ILE 79 -15.926 -13.155 15.494
187 HG22 ILE 79 HG22 ILE 79 -17.379 -12.603 14.663
188 HG23 ILE 79 HG23 ILE 79 -17.496 -13.289 16.284
189 HD11 ILE 79 HD11 ILE 79 -14.468 -11.996 14.795
190 HD12 ILE 79 HD12 ILE 79 -14.026 -11.032 16.205
191 HD13 ILE 79 HD13 ILE 79 -13.834 -10.364 14.585
192 H ASP 80 HN ASP 80 -18.603 -8.335 15.515
193 HA ASP 80 HA ASP 80 -18.211 -6.162 16.216
194 HB2 ASP 80 HB3 ASP 80 -19.341 -7.490 18.678
195 HB3 ASP 80 HB2 ASP 80 -19.065 -5.752 18.571
Start of MODEL 6
1 H1 ASP 59 HT1 ASP 59 -4.497 -2.591 4.946
2 H2 ASP 59 HT2 ASP 59 -4.540 -1.107 5.772
3 H3 ASP 59 HT3 ASP 59 -4.861 -1.162 4.106
4 HA ASP 59 HA ASP 59 -6.666 -2.912 5.199
5 HB2 ASP 59 HB3 ASP 59 -6.297 -0.424 6.872
6 HB3 ASP 59 HB2 ASP 59 -7.796 -1.352 6.845
7 H THR 60 HN THR 60 -5.603 -0.450 3.345
8 HA THR 60 HA THR 60 -8.334 0.397 2.550
9 HB THR 60 HB THR 60 -7.308 2.460 1.715
10 HG1 THR 60 HG1 THR 60 -5.263 2.063 1.256
11 HG21 THR 60 HG21 THR 60 -8.101 2.213 4.108
12 HG22 THR 60 HG22 THR 60 -6.909 3.487 3.849
13 HG23 THR 60 HG23 THR 60 -6.417 1.949 4.560
14 H LEU 61 HN LEU 61 -8.822 0.504 0.425
15 HA LEU 61 HA LEU 61 -8.802 -0.005 -1.802
16 HB2 LEU 61 HB3 LEU 61 -5.831 -0.528 -1.576
17 HB3 LEU 61 HB2 LEU 61 -6.753 -0.193 -3.035
18 HG LEU 61 HG LEU 61 -6.360 1.733 -0.727
19 HD11 LEU 61 HD11 LEU 61 -5.091 3.021 -2.490
20 HD12 LEU 61 HD12 LEU 61 -5.191 1.594 -3.518
21 HD13 LEU 61 HD13 LEU 61 -4.315 1.519 -1.989
22 HD21 LEU 61 HD21 LEU 61 -7.356 3.318 -2.559
23 HD22 LEU 61 HD22 LEU 61 -8.457 2.295 -1.640
24 HD23 LEU 61 HD23 LEU 61 -7.982 1.831 -3.274
25 H LEU 62 HN LEU 62 -8.445 -1.916 0.652
26 HA LEU 62 HA LEU 62 -9.342 -4.244 -0.616
27 HB2 LEU 62 HB3 LEU 62 -7.306 -5.696 0.090
28 HB3 LEU 62 HB2 LEU 62 -7.213 -4.803 -1.420
29 HG LEU 62 HG LEU 62 -6.063 -2.934 -0.042
30 HD11 LEU 62 HD11 LEU 62 -6.459 -3.570 2.211
31 HD12 LEU 62 HD12 LEU 62 -4.767 -3.958 1.927
32 HD13 LEU 62 HD13 LEU 62 -5.975 -5.240 1.912
33 HD21 LEU 62 HD21 LEU 62 -4.710 -5.613 -0.432
34 HD22 LEU 62 HD22 LEU 62 -3.875 -4.071 -0.242
35 HD23 LEU 62 HD23 LEU 62 -4.890 -4.357 -1.655
36 H GLY 63 HN GLY 63 -10.449 -2.944 1.256
37 HA2 GLY 63 HA3 GLY 63 -11.166 -4.513 3.305
38 HA3 GLY 63 HA2 GLY 63 -9.672 -3.819 3.924
39 H ARG 64 HN ARG 64 -10.859 -1.535 1.935
40 HA ARG 64 HA ARG 64 -12.637 -0.279 3.900
41 HB2 ARG 64 HB3 ARG 64 -10.168 0.517 3.951
42 HB3 ARG 64 HB2 ARG 64 -10.554 1.312 2.430
43 HG2 ARG 64 HG3 ARG 64 -10.933 2.951 4.120
44 HG3 ARG 64 HG2 ARG 64 -12.532 2.386 3.660
45 HD2 ARG 64 HD3 ARG 64 -12.105 2.613 6.161
46 HD3 ARG 64 HD2 ARG 64 -12.743 1.063 5.649
47 HE ARG 64 HE ARG 64 -10.704 0.078 6.234
48 HH11 ARG 64 HH21 ARG 64 -10.505 3.535 6.155
49 HH12 ARG 64 HH22 ARG 64 -8.947 3.604 6.910
50 HH21 ARG 64 HH11 ARG 64 -8.658 0.166 7.232
51 HH22 ARG 64 HH12 ARG 64 -7.903 1.696 7.519
52 H ILE 65 HN ILE 65 -12.267 -1.392 0.803
53 HA ILE 65 HA ILE 65 -14.219 0.563 -0.238
54 HB ILE 65 HB ILE 65 -12.196 -0.811 -1.986
55 HG12 ILE 65 HG13 ILE 65 -10.902 0.408 -0.273
56 HG13 ILE 65 HG12 ILE 65 -10.772 1.191 -1.839
57 HG21 ILE 65 HG21 ILE 65 -12.766 0.875 -3.560
58 HG22 ILE 65 HG22 ILE 65 -13.527 1.886 -2.336
59 HG23 ILE 65 HG23 ILE 65 -14.303 0.397 -2.845
60 HD11 ILE 65 HD11 ILE 65 -12.978 2.442 -0.606
61 HD12 ILE 65 HD12 ILE 65 -11.366 3.108 -0.832
62 HD13 ILE 65 HD13 ILE 65 -11.765 2.273 0.662
63 H LEU 66 HN LEU 66 -12.892 -2.588 -1.353
64 HA LEU 66 HA LEU 66 -15.651 -3.350 -2.051
65 HB2 LEU 66 HB3 LEU 66 -13.724 -5.325 -2.966
66 HB3 LEU 66 HB2 LEU 66 -14.824 -4.335 -3.898
67 HG LEU 66 HG LEU 66 -12.180 -3.285 -2.858
68 HD11 LEU 66 HD11 LEU 66 -11.475 -3.559 -5.271
69 HD12 LEU 66 HD12 LEU 66 -12.899 -4.576 -5.495
70 HD13 LEU 66 HD13 LEU 66 -11.634 -5.062 -4.366
71 HD21 LEU 66 HD21 LEU 66 -14.218 -1.782 -3.558
72 HD22 LEU 66 HD22 LEU 66 -13.798 -2.272 -5.196
73 HD23 LEU 66 HD23 LEU 66 -12.622 -1.406 -4.204
74 HA PRO 67 HA PRO 67 -14.576 -7.105 0.512
75 HB2 PRO 67 HB3 PRO 67 -12.187 -7.488 1.706
76 HB3 PRO 67 HB2 PRO 67 -12.442 -7.861 -0.012
77 HG2 PRO 67 HG3 PRO 67 -11.154 -5.485 1.227
78 HG3 PRO 67 HG2 PRO 67 -10.660 -6.403 -0.201
79 HD2 PRO 67 HD3 PRO 67 -12.055 -4.006 -0.307
80 HD3 PRO 67 HD2 PRO 67 -12.073 -5.229 -1.588
81 H GLN 68 HN GLN 68 -13.987 -3.914 1.471
82 HA GLN 68 HA GLN 68 -13.723 -4.207 4.270
83 HB2 GLN 68 HB3 GLN 68 -14.111 -1.923 4.382
84 HB3 GLN 68 HB2 GLN 68 -13.629 -2.085 2.703
85 HG2 GLN 68 HG3 GLN 68 -16.044 -2.207 2.066
86 HG3 GLN 68 HG2 GLN 68 -16.468 -1.888 3.746
87 HE21 GLN 68 HE21 GLN 68 -15.442 0.186 4.690
88 HE22 GLN 68 HE22 GLN 68 -15.342 1.531 3.630
89 H LEU 69 HN LEU 69 -16.244 -4.644 2.049
90 HA LEU 69 HA LEU 69 -18.543 -4.315 3.617
91 HB2 LEU 69 HB3 LEU 69 -17.979 -6.157 1.278
92 HB3 LEU 69 HB2 LEU 69 -19.584 -5.873 1.946
93 HG LEU 69 HG LEU 69 -17.772 -3.687 0.881
94 HD11 LEU 69 HD11 LEU 69 -19.164 -3.692 -1.110
95 HD12 LEU 69 HD12 LEU 69 -20.189 -4.959 -0.436
96 HD13 LEU 69 HD13 LEU 69 -18.516 -5.313 -0.868
97 HD21 LEU 69 HD21 LEU 69 -20.189 -2.579 0.798
98 HD22 LEU 69 HD22 LEU 69 -19.266 -2.585 2.294
99 HD23 LEU 69 HD23 LEU 69 -20.549 -3.769 2.048
100 H VAL 70 HN VAL 70 -16.363 -7.027 3.142
101 HA VAL 70 HA VAL 70 -17.932 -8.666 4.991
102 HB VAL 70 HB VAL 70 -16.307 -10.448 4.430
103 HG11 VAL 70 HG11 VAL 70 -17.008 -10.601 1.985
104 HG12 VAL 70 HG12 VAL 70 -17.744 -9.010 2.189
105 HG13 VAL 70 HG13 VAL 70 -18.322 -10.379 3.141
106 HG21 VAL 70 HG21 VAL 70 -14.628 -10.124 2.759
107 HG22 VAL 70 HG22 VAL 70 -14.447 -8.771 3.872
108 HG23 VAL 70 HG23 VAL 70 -15.264 -8.539 2.326
109 H CYS 71 HN CYS 71 -16.520 -6.269 5.903
110 HA CYS 71 HA CYS 71 -14.910 -7.567 8.012
111 HB2 CYS 71 HB3 CYS 71 -14.112 -5.065 6.514
112 HB3 CYS 71 HB2 CYS 71 -13.266 -5.744 7.901
113 HG CYS 71 HG CYS 71 -12.915 -6.662 5.067
114 H ARG 72 HN ARG 72 -16.282 -4.462 6.927
115 HA ARG 72 HA ARG 72 -16.759 -3.599 9.645
116 HB2 ARG 72 HB3 ARG 72 -17.492 -2.431 6.965
117 HB3 ARG 72 HB2 ARG 72 -17.961 -1.693 8.485
118 HG2 ARG 72 HG3 ARG 72 -15.963 -0.599 8.483
119 HG3 ARG 72 HG2 ARG 72 -15.199 -2.142 8.830
120 HD2 ARG 72 HD3 ARG 72 -15.792 -1.598 5.954
121 HD3 ARG 72 HD2 ARG 72 -14.535 -0.624 6.696
122 HE ARG 72 HE ARG 72 -14.359 -3.393 6.028
123 HH11 ARG 72 HH21 ARG 72 -13.379 -0.961 8.283
124 HH12 ARG 72 HH22 ARG 72 -11.895 -1.749 8.698
125 HH21 ARG 72 HH11 ARG 72 -12.412 -4.433 6.567
126 HH22 ARG 72 HH12 ARG 72 -11.347 -3.713 7.728
127 H LEU 73 HN LEU 73 -18.514 -5.360 7.203
128 HA LEU 73 HA LEU 73 -21.042 -4.931 8.700
129 HB2 LEU 73 HB3 LEU 73 -20.839 -6.145 5.958
130 HB3 LEU 73 HB2 LEU 73 -22.238 -5.433 6.742
131 HG LEU 73 HG LEU 73 -19.752 -3.928 5.867
132 HD11 LEU 73 HD11 LEU 73 -21.326 -4.712 4.054
133 HD12 LEU 73 HD12 LEU 73 -21.161 -2.959 4.167
134 HD13 LEU 73 HD13 LEU 73 -22.593 -3.754 4.822
135 HD21 LEU 73 HD21 LEU 73 -21.301 -1.943 6.428
136 HD22 LEU 73 HD22 LEU 73 -20.609 -2.811 7.794
137 HD23 LEU 73 HD23 LEU 73 -22.281 -3.105 7.319
138 H VAL 74 HN VAL 74 -18.666 -7.316 7.859
139 HA VAL 74 HA VAL 74 -20.489 -9.484 8.772
140 HB VAL 74 HB VAL 74 -17.943 -9.590 7.147
141 HG11 VAL 74 HG11 VAL 74 -17.933 -11.554 8.518
142 HG12 VAL 74 HG12 VAL 74 -18.610 -12.055 6.969
143 HG13 VAL 74 HG13 VAL 74 -19.676 -11.766 8.345
144 HG21 VAL 74 HG21 VAL 74 -19.446 -10.398 5.394
145 HG22 VAL 74 HG22 VAL 74 -20.036 -8.846 5.994
146 HG23 VAL 74 HG23 VAL 74 -20.812 -10.344 6.507
147 H LEU 75 HN LEU 75 -16.952 -8.869 8.977
148 HA LEU 75 HA LEU 75 -16.627 -10.497 11.258
149 HB2 LEU 75 HB3 LEU 75 -14.929 -8.219 10.228
150 HB3 LEU 75 HB2 LEU 75 -14.442 -9.301 11.526
151 HG LEU 75 HG LEU 75 -15.209 -10.225 8.740
152 HD11 LEU 75 HD11 LEU 75 -12.433 -10.040 9.938
153 HD12 LEU 75 HD12 LEU 75 -13.112 -8.809 8.873
154 HD13 LEU 75 HD13 LEU 75 -12.859 -10.450 8.277
155 HD21 LEU 75 HD21 LEU 75 -14.283 -11.605 11.255
156 HD22 LEU 75 HD22 LEU 75 -13.786 -12.263 9.697
157 HD23 LEU 75 HD23 LEU 75 -15.495 -12.116 10.080
158 H ARG 76 HN ARG 76 -17.203 -7.036 10.901
159 HA ARG 76 HA ARG 76 -16.858 -6.300 13.585
160 HB2 ARG 76 HB3 ARG 76 -16.993 -4.691 11.707
161 HB3 ARG 76 HB2 ARG 76 -18.708 -5.065 11.539
162 HG2 ARG 76 HG3 ARG 76 -19.111 -4.303 13.848
163 HG3 ARG 76 HG2 ARG 76 -17.395 -3.943 14.033
164 HD2 ARG 76 HD3 ARG 76 -19.205 -2.682 11.956
165 HD3 ARG 76 HD2 ARG 76 -18.748 -1.922 13.479
166 HE ARG 76 HE ARG 76 -17.067 -2.250 11.131
167 HH11 ARG 76 HH21 ARG 76 -17.261 -1.698 14.544
168 HH12 ARG 76 HH22 ARG 76 -15.713 -0.930 14.646
169 HH21 ARG 76 HH11 ARG 76 -15.035 -1.243 11.260
170 HH22 ARG 76 HH12 ARG 76 -14.452 -0.672 12.787
171 H CYS 77 HN CYS 77 -19.731 -7.349 11.775
172 HA CYS 77 HA CYS 77 -21.548 -7.038 13.914
173 HB2 CYS 77 HB3 CYS 77 -21.609 -8.785 11.453
174 HB3 CYS 77 HB2 CYS 77 -22.954 -8.672 12.589
175 HG CYS 77 HG CYS 77 -22.873 -5.995 12.068
176 H SER 78 HN SER 78 -19.604 -9.814 12.861
177 HA SER 78 HA SER 78 -20.741 -11.632 14.726
178 HB2 SER 78 HB3 SER 78 -18.878 -13.097 14.121
179 HB3 SER 78 HB2 SER 78 -19.596 -12.370 12.686
180 HG SER 78 HG SER 78 -17.815 -10.667 13.378
181 H ILE 79 HN ILE 79 -17.816 -9.615 14.840
182 HA ILE 79 HA ILE 79 -17.197 -10.629 17.526
183 HB ILE 79 HB ILE 79 -15.428 -10.191 15.724
184 HG12 ILE 79 HG13 ILE 79 -15.036 -8.725 18.352
185 HG13 ILE 79 HG12 ILE 79 -14.995 -10.482 18.204
186 HG21 ILE 79 HG21 ILE 79 -15.572 -7.320 16.636
187 HG22 ILE 79 HG22 ILE 79 -16.526 -7.857 15.258
188 HG23 ILE 79 HG23 ILE 79 -14.772 -7.998 15.219
189 HD11 ILE 79 HD11 ILE 79 -13.197 -8.556 16.705
190 HD12 ILE 79 HD12 ILE 79 -13.153 -10.314 16.579
191 HD13 ILE 79 HD13 ILE 79 -12.719 -9.527 18.098
192 H ASP 80 HN ASP 80 -18.422 -7.794 15.910
193 HA ASP 80 HA ASP 80 -19.054 -5.702 16.720
194 HB2 ASP 80 HB3 ASP 80 -20.997 -7.145 17.166
195 HB3 ASP 80 HB2 ASP 80 -20.333 -7.553 18.748
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