Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
10412 | 1pqr RC | 5869 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H GLY 1 1H GLY 1 7.278 -6.486 1.572
2 2H GLY 1 2H GLY 1 8.456 -7.405 2.235
3 1HA GLY 1 1HA GLY 1 6.784 -8.845 1.336
4 2HA GLY 1 2HA GLY 1 6.872 -9.007 3.087
5 H CYS 2 H CYS 2 4.924 -7.936 0.418
6 HA CYS 2 HA CYS 2 2.533 -7.405 2.268
7 1HB CYS 2 1HB CYS 2 3.343 -5.233 1.528
8 2HB CYS 2 2HB CYS 2 3.554 -5.738 -0.143
9 H CYS 3 H CYS 3 1.737 -7.231 -0.966
10 HA CYS 3 HA CYS 3 1.690 -10.069 -1.637
11 1HB CYS 3 2HB CYS 3 -0.228 -10.220 -0.070
12 2HB CYS 3 1HB CYS 3 -1.121 -8.998 -0.986
13 H GLY 4 H GLY 4 -0.863 -7.783 -2.712
14 1HA GLY 4 1HA GLY 4 -0.042 -6.091 -4.571
15 2HA GLY 4 2HA GLY 4 0.731 -7.448 -5.334
16 HA PRO 5 HA PRO 5 -3.361 -6.490 -7.506
17 1HB PRO 5 2HB PRO 5 -1.511 -7.524 -9.742
18 2HB PRO 5 1HB PRO 5 -2.773 -6.278 -9.847
19 1HG PRO 5 2HG PRO 5 -0.166 -5.552 -9.588
20 2HG PRO 5 1HG PRO 5 -1.415 -4.678 -8.671
21 1HD PRO 5 2HD PRO 5 0.547 -6.765 -7.609
22 2HD PRO 5 1HD PRO 5 -0.129 -5.324 -6.824
23 H TYR 6 H TYR 6 -1.817 -9.553 -7.159
24 HA TYR 6 HA TYR 6 -3.624 -11.046 -9.025
25 1HB TYR 6 1HB TYR 6 -1.440 -12.015 -7.058
26 2HB TYR 6 2HB TYR 6 -2.311 -13.074 -8.122
27 HD1 TYR 6 HD1 TYR 6 0.362 -10.544 -7.973
28 HD2 TYR 6 HD2 TYR 6 -2.051 -12.891 -10.655
29 HE1 TYR 6 HE1 TYR 6 1.921 -10.061 -9.808
30 HE2 TYR 6 HE2 TYR 6 -0.480 -12.402 -12.482
31 HH TYR 6 HH TYR 6 2.403 -10.371 -11.955
32 HA HYP 7 HA HYP 7 -7.542 -12.271 -7.220
33 1HB HYP 7 1HB HYP 7 -5.687 -13.948 -5.425
34 2HB HYP 7 2HB HYP 7 -7.360 -14.327 -5.895
35 1HD HYP 7 1HD HYP 7 -6.113 -12.985 -9.234
36 2HD HYP 7 2HD HYP 7 -4.436 -13.393 -8.851
37 HOD HYP 7 HOD HYP 7 -6.519 -15.432 -9.066
38 HG HYP 7 HG HYP 7 -5.053 -15.098 -7.353
39 H ASN 8 H ASN 8 -8.345 -12.685 -4.656
40 HA ASN 8 HA ASN 8 -8.222 -9.794 -3.654
41 1HB ASN 8 2HB ASN 8 -10.704 -11.115 -4.945
42 2HB ASN 8 1HB ASN 8 -10.734 -9.589 -4.102
43 1HD2 ASN 8 2HD2 ASN 8 -10.410 -10.897 -7.146
44 2HD2 ASN 8 1HD2 ASN 8 -9.781 -9.385 -7.975
45 H ALA 9 H ALA 9 -7.547 -12.064 -2.061
46 HA ALA 9 HA ALA 9 -9.759 -12.044 0.071
47 1HB ALA 9 1HB ALA 9 -8.360 -13.721 1.274
48 2HB ALA 9 2HB ALA 9 -8.791 -14.275 -0.358
49 3HB ALA 9 3HB ALA 9 -7.145 -13.681 -0.026
50 H ALA 10 H ALA 10 -6.304 -11.943 0.784
51 HA ALA 10 HA ALA 10 -6.518 -9.152 2.015
52 1HB ALA 10 1HB ALA 10 -5.285 -10.953 3.308
53 2HB ALA 10 2HB ALA 10 -4.208 -9.611 2.864
54 3HB ALA 10 3HB ALA 10 -4.131 -11.131 1.955
55 H CYS 11 H CYS 11 -5.636 -10.515 -1.012
56 HA CYS 11 HA CYS 11 -3.221 -8.870 -1.518
57 1HB CYS 11 2HB CYS 11 -3.815 -11.396 -2.191
58 2HB CYS 11 1HB CYS 11 -4.610 -10.653 -3.570
59 H HIS 12 H HIS 12 -3.362 -6.870 -2.147
60 HA HIS 12 HA HIS 12 -5.543 -5.889 -4.067
61 1HB HIS 12 2HB HIS 12 -4.599 -4.504 -1.469
62 2HB HIS 12 1HB HIS 12 -5.569 -3.719 -2.685
63 HD1 HIS 12 HD1 HIS 12 -8.147 -4.968 -3.177
64 HD2 HIS 12 HD2 HIS 12 -5.932 -5.872 0.395
65 HE1 HIS 12 HE1 HIS 12 -9.687 -6.031 -1.406
66 HE2 HIS 12 HE2 HIS 12 -8.451 -6.612 0.781
67 HA HYP 13 HA HYP 13 -2.086 -4.029 -6.421
68 1HB HYP 13 1HB HYP 13 -3.926 -1.609 -6.671
69 2HB HYP 13 2HB HYP 13 -2.936 -2.384 -7.905
70 1HD HYP 13 1HD HYP 13 -5.869 -3.618 -5.433
71 2HD HYP 13 2HD HYP 13 -5.482 -5.194 -6.177
72 HOD HYP 13 HOD HYP 13 -5.250 -4.957 -8.460
73 HG HYP 13 HG HYP 13 -5.645 -2.861 -7.674
74 H CYS 14 H CYS 14 -3.628 -1.505 -4.335
75 HA CYS 14 HA CYS 14 -0.862 -0.939 -3.168
76 1HB CYS 14 2HB CYS 14 -1.665 0.975 -4.614
77 2HB CYS 14 1HB CYS 14 -3.022 1.238 -3.540
78 H GLY 15 H GLY 15 -2.095 -2.946 -2.061
79 1HA GLY 15 1HA GLY 15 -3.592 -2.129 0.444
80 2HA GLY 15 2HA GLY 15 -2.989 -3.731 0.064
81 H CYS 16 H CYS 16 -0.289 -2.482 -0.610
82 HA CYS 16 HA CYS 16 1.121 -2.868 1.892
83 1HB CYS 16 2HB CYS 16 2.166 -1.524 -0.714
84 2HB CYS 16 1HB CYS 16 3.069 -2.557 0.419
85 H LYS 17 H LYS 17 2.924 -1.378 2.508
86 HA LYS 17 HA LYS 17 2.032 1.443 3.184
87 1HB LYS 17 2HB LYS 17 4.563 -0.156 3.815
88 2HB LYS 17 1HB LYS 17 4.302 1.525 4.282
89 1HG LYS 17 1HG LYS 17 2.207 0.854 5.541
90 2HG LYS 17 2HG LYS 17 2.496 -0.833 5.114
91 1HD LYS 17 1HD LYS 17 4.720 -0.764 6.364
92 2HD LYS 17 2HD LYS 17 4.443 0.928 6.742
93 1HE LYS 17 2HE LYS 17 3.888 -0.296 8.728
94 2HE LYS 17 1HE LYS 17 2.363 0.298 8.078
95 1HZ LYS 17 1HZ LYS 17 3.422 -2.475 7.747
96 2HZ LYS 17 2HZ LYS 17 2.204 -2.016 8.765
97 3HZ LYS 17 3HZ LYS 17 1.987 -1.936 7.130
98 H VAL 18 H VAL 18 5.053 0.170 2.224
99 HA VAL 18 HA VAL 18 5.560 2.419 0.217
100 HB VAL 18 HB VAL 18 7.952 1.781 0.264
101 1HG1 VAL 18 1HG1 VAL 18 6.876 2.552 3.037
102 2HG1 VAL 18 2HG1 VAL 18 8.514 2.859 2.409
103 3HG1 VAL 18 3HG1 VAL 18 7.115 3.659 1.664
104 1HG2 VAL 18 1HG2 VAL 18 7.896 -0.601 1.028
105 2HG2 VAL 18 2HG2 VAL 18 7.351 -0.088 2.642
106 3HG2 VAL 18 3HG2 VAL 18 8.961 0.384 2.045
107 H GLY 19 H GLY 19 6.008 2.041 -1.877
108 1HA GLY 19 2HA GLY 19 6.513 0.819 -3.902
109 2HA GLY 19 1HA GLY 19 6.527 -0.687 -3.014
110 H ARG 20 H ARG 20 4.414 1.732 -4.464
111 HA ARG 20 HA ARG 20 2.331 -0.316 -5.189
112 1HB ARG 20 2HB ARG 20 0.582 0.678 -3.925
113 2HB ARG 20 1HB ARG 20 1.868 0.233 -2.834
114 1HG ARG 20 2HG ARG 20 1.075 3.064 -3.735
115 2HG ARG 20 1HG ARG 20 0.717 2.246 -2.208
116 1HD ARG 20 1HD ARG 20 3.200 2.193 -1.668
117 2HD ARG 20 2HD ARG 20 3.500 3.152 -3.134
118 HE ARG 20 HE ARG 20 1.460 4.491 -1.512
119 1HH1 ARG 20 2HH1 ARG 20 4.961 3.870 -1.478
120 2HH1 ARG 20 1HH1 ARG 20 5.241 5.372 -0.461
121 1HH2 ARG 20 2HH2 ARG 20 1.898 6.192 -0.353
122 2HH2 ARG 20 1HH2 ARG 20 3.620 6.597 0.132
123 HA HYP 21 HA HYP 21 1.076 1.826 -8.817
124 1HB HYP 21 1HB HYP 21 -1.388 1.892 -9.025
125 2HB HYP 21 2HB HYP 21 -1.587 2.291 -7.311
126 1HD HYP 21 1HD HYP 21 0.899 -0.732 -6.997
127 2HD HYP 21 2HD HYP 21 -0.040 -0.088 -5.652
128 HOD HYP 21 HOD HYP 21 0.039 -0.290 -9.184
129 HG HYP 21 HG HYP 21 -1.891 -0.018 -7.114
130 HA HYP 22 HA HYP 22 1.519 6.311 -8.873
131 1HB HYP 22 1HB HYP 22 0.851 7.181 -11.017
132 2HB HYP 22 2HB HYP 22 -0.685 6.308 -11.015
133 1HD HYP 22 1HD HYP 22 -0.343 3.420 -10.750
134 2HD HYP 22 2HD HYP 22 1.391 3.068 -10.517
135 HOD HYP 22 HOD HYP 22 2.718 5.290 -10.590
136 HG HYP 22 HG HYP 22 0.578 4.866 -12.414
137 H TYR 23 H TYR 23 -1.956 5.456 -8.790
138 HA TYR 23 HA TYR 23 -2.881 8.093 -7.813
139 1HB TYR 23 2HB TYR 23 -5.060 7.001 -7.461
140 2HB TYR 23 1HB TYR 23 -4.434 6.710 -9.048
141 HD1 TYR 23 HD1 TYR 23 -3.791 4.394 -9.774
142 HD2 TYR 23 HD2 TYR 23 -5.227 5.084 -5.776
143 HE1 TYR 23 HE1 TYR 23 -4.007 1.974 -9.426
144 HE2 TYR 23 HE2 TYR 23 -5.411 2.659 -5.433
145 HH TYR 23 HH TYR 23 -5.145 0.644 -6.319
146 H CYS 24 H CYS 24 -1.587 5.346 -6.162
147 HA CYS 24 HA CYS 24 -2.766 6.010 -3.469
148 1HB CYS 24 1HB CYS 24 -2.755 3.665 -4.377
149 2HB CYS 24 2HB CYS 24 -1.008 3.689 -4.525
150 H ASP 25 H ASP 25 0.096 6.439 -5.183
151 HA ASP 25 HA ASP 25 1.721 7.339 -2.761
152 1HB ASP 25 2HB ASP 25 2.847 5.766 -4.438
153 2HB ASP 25 1HB ASP 25 2.677 6.984 -5.686
154 HD2 ASP 25 HD2 ASP 25 3.885 8.694 -5.624
155 H ARG 26 H ARG 26 0.017 8.476 -5.623
156 HA ARG 26 HA ARG 26 0.850 11.327 -5.499
157 1HB ARG 26 1HB ARG 26 -0.030 10.308 -7.498
158 2HB ARG 26 2HB ARG 26 -1.517 9.802 -6.697
159 1HG ARG 26 2HG ARG 26 -2.245 12.203 -6.499
160 2HG ARG 26 1HG ARG 26 -0.712 12.728 -7.182
161 1HD ARG 26 2HD ARG 26 -2.361 12.829 -8.952
162 2HD ARG 26 1HD ARG 26 -1.228 11.536 -9.346
163 HE ARG 26 HE ARG 26 -3.577 10.413 -7.943
164 1HH1 ARG 26 1HH2 ARG 26 -2.634 11.710 -11.116
165 2HH1 ARG 26 2HH2 ARG 26 -3.959 10.732 -11.925
166 1HH2 ARG 26 1HH1 ARG 26 -5.050 9.345 -8.968
167 2HH2 ARG 26 2HH1 ARG 26 -5.233 9.484 -10.788
168 HA HYP 27 HA HYP 27 -1.215 12.597 -1.780
169 1HB HYP 27 1HB HYP 27 -1.579 14.960 -1.721
170 2HB HYP 27 2HB HYP 27 -2.441 14.977 -3.270
171 1HD HYP 27 1HD HYP 27 -0.857 13.889 -5.466
172 2HD HYP 27 2HD HYP 27 0.698 13.310 -4.822
173 HOD HYP 27 HOD HYP 27 0.761 13.747 -2.259
174 HG HYP 27 HG HYP 27 -0.317 15.712 -4.009
175 H SER 28 H SER 28 -2.716 11.143 -1.201
176 HA SER 28 HA SER 28 -5.364 10.896 -2.343
177 1HB SER 28 1HB SER 28 -4.088 9.001 -1.359
178 2HB SER 28 2HB SER 28 -4.292 9.669 0.265
179 HG SER 28 HG SER 28 -5.849 8.119 -0.271
180 H GLY 29 H GLY 29 -4.681 11.800 1.106
181 1HA GLY 29 1HA GLY 29 -6.396 14.159 1.140
182 2HA GLY 29 2HA GLY 29 -7.403 12.790 1.616
183 H GLY 30 H GLY 30 -7.048 11.838 3.615
184 1HA GLY 30 2HA GLY 30 -5.493 13.457 5.664
185 2HA GLY 30 1HA GLY 30 -6.711 12.248 6.004
186 1HN NH2 31 1HN NH2 31 -6.036 10.097 6.318
187 2HN NH2 31 2HN NH2 31 -4.274 9.590 6.272
Start of MODEL 2
1 1H GLY 1 1H GLY 1 7.430 -6.706 0.502
2 2H GLY 1 2H GLY 1 7.587 -6.963 2.109
3 1HA GLY 1 2HA GLY 1 6.856 -9.055 0.125
4 2HA GLY 1 1HA GLY 1 7.019 -9.315 1.859
5 H CYS 2 H CYS 2 4.996 -8.017 -0.652
6 HA CYS 2 HA CYS 2 2.754 -7.378 1.347
7 1HB CYS 2 2HB CYS 2 3.724 -5.301 0.384
8 2HB CYS 2 1HB CYS 2 3.572 -5.921 -1.266
9 H CYS 3 H CYS 3 1.718 -7.225 -1.767
10 HA CYS 3 HA CYS 3 1.529 -10.035 -2.479
11 1HB CYS 3 1HB CYS 3 -0.311 -10.202 -0.797
12 2HB CYS 3 2HB CYS 3 -1.188 -8.908 -1.614
13 H GLY 4 H GLY 4 -0.914 -7.471 -3.186
14 1HA GLY 4 1HA GLY 4 -0.665 -5.862 -5.105
15 2HA GLY 4 2HA GLY 4 0.555 -6.863 -5.781
16 HA PRO 5 HA PRO 5 -3.327 -7.802 -8.289
17 1HB PRO 5 1HB PRO 5 -2.131 -8.029 -10.782
18 2HB PRO 5 2HB PRO 5 -2.570 -6.506 -10.005
19 1HG PRO 5 2HG PRO 5 0.180 -7.858 -9.999
20 2HG PRO 5 1HG PRO 5 -0.219 -6.165 -10.398
21 1HD PRO 5 2HD PRO 5 0.665 -6.818 -7.866
22 2HD PRO 5 1HD PRO 5 -0.618 -5.605 -8.079
23 H TYR 6 H TYR 6 -3.160 -9.644 -6.878
24 HA TYR 6 HA TYR 6 -2.704 -12.326 -8.264
25 1HB TYR 6 2HB TYR 6 -1.358 -11.387 -5.623
26 2HB TYR 6 1HB TYR 6 -1.488 -13.059 -6.001
27 HD1 TYR 6 HD1 TYR 6 0.404 -10.020 -6.640
28 HD2 TYR 6 HD2 TYR 6 -0.313 -13.995 -8.123
29 HE1 TYR 6 HE1 TYR 6 2.498 -9.925 -7.918
30 HE2 TYR 6 HE2 TYR 6 1.783 -13.887 -9.402
31 HH TYR 6 HH TYR 6 3.863 -10.991 -9.310
32 HA HYP 7 HA HYP 7 -6.159 -14.765 -6.171
33 1HB HYP 7 1HB HYP 7 -5.246 -15.689 -4.104
34 2HB HYP 7 2HB HYP 7 -4.208 -14.273 -3.846
35 1HD HYP 7 1HD HYP 7 -4.112 -15.248 -7.651
36 2HD HYP 7 2HD HYP 7 -2.606 -14.448 -7.210
37 HOD HYP 7 HOD HYP 7 -3.808 -17.325 -4.952
38 HG HYP 7 HG HYP 7 -2.580 -15.410 -5.044
39 H ASN 8 H ASN 8 -6.661 -14.274 -3.338
40 HA ASN 8 HA ASN 8 -8.881 -12.251 -3.936
41 1HB ASN 8 1HB ASN 8 -9.104 -15.071 -2.701
42 2HB ASN 8 2HB ASN 8 -10.434 -13.946 -2.837
43 1HD2 ASN 8 1HD2 ASN 8 -8.817 -16.409 -4.474
44 2HD2 ASN 8 2HD2 ASN 8 -9.655 -16.182 -6.091
45 H ALA 9 H ALA 9 -7.482 -13.872 -0.988
46 HA ALA 9 HA ALA 9 -9.282 -12.376 0.771
47 1HB ALA 9 1HB ALA 9 -8.062 -13.507 2.623
48 2HB ALA 9 2HB ALA 9 -6.809 -14.063 1.489
49 3HB ALA 9 3HB ALA 9 -8.486 -14.641 1.328
50 H ALA 10 H ALA 10 -5.772 -12.167 1.406
51 HA ALA 10 HA ALA 10 -6.003 -9.286 2.237
52 1HB ALA 10 1HB ALA 10 -4.366 -10.858 3.369
53 2HB ALA 10 2HB ALA 10 -3.465 -11.021 1.834
54 3HB ALA 10 3HB ALA 10 -3.539 -9.455 2.662
55 H CYS 11 H CYS 11 -5.302 -10.810 -0.779
56 HA CYS 11 HA CYS 11 -3.262 -9.058 -1.724
57 1HB CYS 11 2HB CYS 11 -4.019 -11.480 -2.522
58 2HB CYS 11 1HB CYS 11 -5.037 -10.598 -3.668
59 H HIS 12 H HIS 12 -3.289 -7.092 -2.305
60 HA HIS 12 HA HIS 12 -5.499 -5.834 -3.958
61 1HB HIS 12 2HB HIS 12 -4.611 -4.763 -1.199
62 2HB HIS 12 1HB HIS 12 -5.452 -3.782 -2.367
63 HD1 HIS 12 HD1 HIS 12 -8.064 -4.851 -3.150
64 HD2 HIS 12 HD2 HIS 12 -6.148 -6.107 0.488
65 HE1 HIS 12 HE1 HIS 12 -9.779 -5.915 -1.548
66 HE2 HIS 12 HE2 HIS 12 -8.728 -6.705 0.669
67 HA HYP 13 HA HYP 13 -1.616 -3.981 -5.774
68 1HB HYP 13 1HB HYP 13 -3.613 -1.929 -6.814
69 2HB HYP 13 2HB HYP 13 -2.301 -2.749 -7.668
70 1HD HYP 13 1HD HYP 13 -4.967 -5.551 -6.096
71 2HD HYP 13 2HD HYP 13 -5.555 -3.910 -5.696
72 HOD HYP 13 HOD HYP 13 -4.136 -5.656 -8.242
73 HG HYP 13 HG HYP 13 -4.906 -3.534 -7.965
74 H CYS 14 H CYS 14 -3.983 -1.687 -4.395
75 HA CYS 14 HA CYS 14 -1.820 0.069 -3.185
76 1HB CYS 14 1HB CYS 14 -3.734 1.101 -4.388
77 2HB CYS 14 2HB CYS 14 -4.902 0.355 -3.265
78 H GLY 15 H GLY 15 -2.721 -2.849 -2.174
79 1HA GLY 15 2HA GLY 15 -3.569 -2.491 0.637
80 2HA GLY 15 1HA GLY 15 -2.812 -3.909 -0.056
81 H CYS 16 H CYS 16 -0.366 -2.717 -0.965
82 HA CYS 16 HA CYS 16 1.334 -2.929 1.295
83 1HB CYS 16 2HB CYS 16 2.074 -1.343 -1.253
84 2HB CYS 16 1HB CYS 16 3.127 -2.328 -0.234
85 H LYS 17 H LYS 17 2.852 -1.464 2.181
86 HA LYS 17 HA LYS 17 1.834 1.296 2.931
87 1HB LYS 17 2HB LYS 17 4.284 -0.300 3.823
88 2HB LYS 17 1HB LYS 17 3.893 1.335 4.363
89 1HG LYS 17 2HG LYS 17 1.658 0.509 5.252
90 2HG LYS 17 1HG LYS 17 2.053 -1.108 4.696
91 1HD LYS 17 1HD LYS 17 2.484 -1.151 7.019
92 2HD LYS 17 2HD LYS 17 4.072 -1.143 6.266
93 1HE LYS 17 2HE LYS 17 4.268 1.364 6.767
94 2HE LYS 17 1HE LYS 17 2.660 1.333 7.504
95 1HZ LYS 17 1HZ LYS 17 3.509 -0.268 9.143
96 2HZ LYS 17 2HZ LYS 17 4.402 1.122 9.164
97 3HZ LYS 17 3HZ LYS 17 5.010 -0.239 8.452
98 H VAL 18 H VAL 18 4.883 -0.024 2.115
99 HA VAL 18 HA VAL 18 5.646 2.401 0.407
100 HB VAL 18 HB VAL 18 7.090 2.036 2.360
101 1HG1 VAL 18 1HG2 VAL 18 8.755 0.216 2.544
102 2HG1 VAL 18 2HG2 VAL 18 8.103 -0.593 1.097
103 3HG1 VAL 18 3HG2 VAL 18 7.122 -0.471 2.574
104 1HG2 VAL 18 1HG1 VAL 18 7.978 3.202 0.354
105 2HG2 VAL 18 2HG1 VAL 18 8.626 1.665 -0.273
106 3HG2 VAL 18 3HG1 VAL 18 9.257 2.351 1.246
107 H GLY 19 H GLY 19 6.018 2.150 -1.693
108 1HA GLY 19 1HA GLY 19 6.658 1.091 -3.774
109 2HA GLY 19 2HA GLY 19 6.752 -0.463 -2.981
110 H ARG 20 H ARG 20 4.578 1.858 -4.450
111 HA ARG 20 HA ARG 20 2.570 -0.280 -5.201
112 1HB ARG 20 2HB ARG 20 0.759 0.733 -4.095
113 2HB ARG 20 1HB ARG 20 1.973 0.327 -2.913
114 1HG ARG 20 2HG ARG 20 1.442 3.153 -4.025
115 2HG ARG 20 1HG ARG 20 0.676 2.446 -2.610
116 1HD ARG 20 1HD ARG 20 3.036 2.141 -1.566
117 2HD ARG 20 2HD ARG 20 3.656 3.127 -2.905
118 HE ARG 20 HE ARG 20 1.376 4.444 -1.539
119 1HH1 ARG 20 1HH1 ARG 20 4.882 3.911 -1.239
120 2HH1 ARG 20 2HH1 ARG 20 5.047 5.425 -0.215
121 1HH2 ARG 20 1HH2 ARG 20 1.685 6.155 -0.355
122 2HH2 ARG 20 2HH2 ARG 20 3.358 6.608 0.250
123 HA HYP 21 HA HYP 21 1.098 1.615 -8.795
124 1HB HYP 21 1HB HYP 21 -1.335 1.777 -8.900
125 2HB HYP 21 2HB HYP 21 -1.451 2.502 -7.289
126 1HD HYP 21 1HD HYP 21 0.034 0.360 -5.241
127 2HD HYP 21 2HD HYP 21 0.768 -0.638 -6.467
128 HOD HYP 21 HOD HYP 21 -0.120 -0.487 -8.690
129 HG HYP 21 HG HYP 21 -1.929 0.308 -6.644
130 HA HYP 22 HA HYP 22 1.553 6.167 -9.295
131 1HB HYP 22 1HB HYP 22 0.792 6.787 -11.484
132 2HB HYP 22 2HB HYP 22 -0.740 5.923 -11.316
133 1HD HYP 22 1HD HYP 22 1.337 2.723 -10.663
134 2HD HYP 22 2HD HYP 22 -0.403 3.096 -10.781
135 HOD HYP 22 HOD HYP 22 2.433 5.437 -12.503
136 HG HYP 22 HG HYP 22 0.429 4.360 -12.647
137 H TYR 23 H TYR 23 -1.837 5.107 -8.990
138 HA TYR 23 HA TYR 23 -2.819 7.730 -7.941
139 1HB TYR 23 2HB TYR 23 -4.988 6.630 -7.679
140 2HB TYR 23 1HB TYR 23 -4.363 6.393 -9.275
141 HD1 TYR 23 HD1 TYR 23 -3.669 4.083 -10.052
142 HD2 TYR 23 HD2 TYR 23 -5.237 4.675 -6.087
143 HE1 TYR 23 HE1 TYR 23 -3.904 1.656 -9.774
144 HE2 TYR 23 HE2 TYR 23 -5.453 2.245 -5.819
145 HH TYR 23 HH TYR 23 -5.149 0.250 -6.741
146 H CYS 24 H CYS 24 -1.399 4.960 -6.509
147 HA CYS 24 HA CYS 24 -2.592 5.446 -3.752
148 1HB CYS 24 1HB CYS 24 -2.738 3.143 -4.764
149 2HB CYS 24 2HB CYS 24 -0.998 3.020 -4.842
150 H ASP 25 H ASP 25 0.226 5.839 -5.522
151 HA ASP 25 HA ASP 25 1.978 6.496 -3.120
152 1HB ASP 25 2HB ASP 25 2.923 4.953 -4.983
153 2HB ASP 25 1HB ASP 25 2.872 6.320 -6.073
154 HD2 ASP 25 HD2 ASP 25 4.478 4.693 -3.775
155 H ARG 26 H ARG 26 0.479 7.886 -6.026
156 HA ARG 26 HA ARG 26 1.407 10.681 -5.580
157 1HB ARG 26 1HB ARG 26 0.656 9.783 -7.743
158 2HB ARG 26 2HB ARG 26 -0.989 9.569 -7.129
159 1HG ARG 26 1HG ARG 26 -1.139 12.060 -6.698
160 2HG ARG 26 2HG ARG 26 0.523 12.259 -7.267
161 1HD ARG 26 1HD ARG 26 -0.162 11.384 -9.560
162 2HD ARG 26 2HD ARG 26 -1.831 11.211 -8.987
163 HE ARG 26 HE ARG 26 -1.003 13.972 -8.511
164 1HH1 ARG 26 2HH2 ARG 26 -1.747 11.840 -11.259
165 2HH1 ARG 26 1HH2 ARG 26 -2.244 13.291 -12.267
166 1HH2 ARG 26 1HH1 ARG 26 -1.594 15.548 -9.749
167 2HH2 ARG 26 2HH1 ARG 26 -2.163 15.247 -11.467
168 HA HYP 27 HA HYP 27 -0.968 11.470 -1.855
169 1HB HYP 27 1HB HYP 27 -1.201 13.831 -1.451
170 2HB HYP 27 2HB HYP 27 -1.725 14.165 -3.113
171 1HD HYP 27 1HD HYP 27 0.225 13.256 -5.122
172 2HD HYP 27 2HD HYP 27 1.498 12.344 -4.275
173 HOD HYP 27 HOD HYP 27 2.168 13.428 -2.351
174 HG HYP 27 HG HYP 27 0.569 14.748 -3.298
175 H SER 28 H SER 28 -2.618 10.143 -1.680
176 HA SER 28 HA SER 28 -5.035 10.215 -3.263
177 1HB SER 28 2HB SER 28 -4.431 8.546 -0.755
178 2HB SER 28 1HB SER 28 -5.802 8.299 -1.841
179 HG SER 28 HG SER 28 -4.035 7.000 -2.359
180 H GLY 29 H GLY 29 -4.913 10.577 0.346
181 1HA GLY 29 2HA GLY 29 -6.609 12.958 0.430
182 2HA GLY 29 1HA GLY 29 -7.668 11.555 0.584
183 H GLY 30 H GLY 30 -7.617 10.379 2.494
184 1HA GLY 30 2HA GLY 30 -5.588 10.506 4.595
185 2HA GLY 30 1HA GLY 30 -6.802 11.732 4.966
186 1HN NH2 31 1HN NH2 31 -9.196 9.254 6.076
187 2HN NH2 31 2HN NH2 31 -8.824 11.020 5.746
Start of MODEL 3
1 1H GLY 1 1H GLY 1 -1.222 -4.658 -9.843
2 2H GLY 1 2H GLY 1 -0.473 -6.009 -9.310
3 1HA GLY 1 1HA GLY 1 1.092 -4.188 -9.503
4 2HA GLY 1 2HA GLY 1 0.093 -3.231 -8.411
5 H CYS 2 H CYS 2 0.012 -3.815 -6.209
6 HA CYS 2 HA CYS 2 2.367 -5.230 -5.052
7 1HB CYS 2 2HB CYS 2 1.230 -3.167 -4.043
8 2HB CYS 2 1HB CYS 2 -0.090 -4.219 -3.508
9 H CYS 3 H CYS 3 -1.181 -5.937 -5.062
10 HA CYS 3 HA CYS 3 -0.495 -8.861 -5.126
11 1HB CYS 3 2HB CYS 3 -0.932 -8.635 -2.732
12 2HB CYS 3 1HB CYS 3 -2.535 -7.925 -3.001
13 H GLY 4 H GLY 4 -3.824 -7.322 -4.836
14 1HA GLY 4 1HA GLY 4 -5.365 -7.128 -6.796
15 2HA GLY 4 2HA GLY 4 -4.189 -7.903 -7.794
16 HA PRO 5 HA PRO 5 -7.760 -10.762 -6.635
17 1HB PRO 5 1HB PRO 5 -8.417 -11.772 -9.130
18 2HB PRO 5 2HB PRO 5 -8.840 -10.156 -8.555
19 1HG PRO 5 1HG PRO 5 -6.400 -10.929 -10.247
20 2HG PRO 5 2HG PRO 5 -7.622 -9.686 -10.621
21 1HD PRO 5 1HD PRO 5 -5.270 -8.961 -9.381
22 2HD PRO 5 2HD PRO 5 -6.796 -8.220 -8.840
23 H TYR 6 H TYR 6 -5.645 -11.714 -5.631
24 HA TYR 6 HA TYR 6 -6.142 -14.692 -5.937
25 1HB TYR 6 1HB TYR 6 -3.288 -13.558 -5.587
26 2HB TYR 6 2HB TYR 6 -3.743 -15.222 -5.352
27 HD1 TYR 6 HD1 TYR 6 -2.890 -12.690 -7.858
28 HD2 TYR 6 HD2 TYR 6 -4.621 -16.601 -7.371
29 HE1 TYR 6 HE1 TYR 6 -2.598 -13.125 -10.255
30 HE2 TYR 6 HE2 TYR 6 -4.323 -17.023 -9.773
31 HH TYR 6 HH TYR 6 -3.602 -16.221 -11.715
32 HA HYP 7 HA HYP 7 -6.861 -12.462 -1.912
33 1HB HYP 7 1HB HYP 7 -9.120 -13.780 -0.973
34 2HB HYP 7 2HB HYP 7 -9.096 -12.549 -2.240
35 1HD HYP 7 1HD HYP 7 -8.383 -13.720 -4.898
36 2HD HYP 7 2HD HYP 7 -7.888 -15.417 -4.622
37 HOD HYP 7 HOD HYP 7 -10.409 -13.437 -3.880
38 HG HYP 7 HG HYP 7 -9.084 -15.596 -2.584
39 H ASN 8 H ASN 8 -5.848 -12.646 -0.149
40 HA ASN 8 HA ASN 8 -6.026 -15.169 1.568
41 1HB ASN 8 2HB ASN 8 -3.627 -14.445 1.250
42 2HB ASN 8 1HB ASN 8 -4.001 -12.870 1.913
43 1HD2 ASN 8 2HD2 ASN 8 -3.662 -16.294 2.679
44 2HD2 ASN 8 1HD2 ASN 8 -3.533 -16.050 4.493
45 H ALA 9 H ALA 9 -5.785 -11.608 2.160
46 HA ALA 9 HA ALA 9 -8.491 -11.648 3.587
47 1HB ALA 9 1HB ALA 9 -7.806 -9.464 4.574
48 2HB ALA 9 2HB ALA 9 -6.237 -9.551 3.737
49 3HB ALA 9 3HB ALA 9 -6.649 -10.742 4.997
50 H ALA 10 H ALA 10 -7.530 -8.683 2.254
51 HA ALA 10 HA ALA 10 -9.536 -8.871 -0.022
52 1HB ALA 10 1HB ALA 10 -8.903 -6.536 -0.577
53 2HB ALA 10 2HB ALA 10 -9.378 -6.637 1.135
54 3HB ALA 10 3HB ALA 10 -7.653 -6.523 0.678
55 H CYS 11 H CYS 11 -6.098 -8.889 0.572
56 HA CYS 11 HA CYS 11 -4.134 -8.616 -0.710
57 1HB CYS 11 2HB CYS 11 -5.274 -11.027 -0.962
58 2HB CYS 11 1HB CYS 11 -5.458 -10.571 -2.653
59 H HIS 12 H HIS 12 -4.358 -6.414 -1.204
60 HA HIS 12 HA HIS 12 -5.823 -5.585 -3.739
61 1HB HIS 12 1HB HIS 12 -5.072 -4.211 -1.097
62 2HB HIS 12 2HB HIS 12 -5.262 -3.187 -2.463
63 HD1 HIS 12 HD1 HIS 12 -7.865 -4.119 -3.956
64 HD2 HIS 12 HD2 HIS 12 -7.245 -3.769 0.281
65 HE1 HIS 12 HE1 HIS 12 -10.091 -3.628 -2.759
66 HE2 HIS 12 HE2 HIS 12 -9.825 -3.379 -0.208
67 HA HYP 13 HA HYP 13 -1.974 -4.108 -5.800
68 1HB HYP 13 1HB HYP 13 -2.604 -3.004 -7.763
69 2HB HYP 13 2HB HYP 13 -3.595 -1.825 -6.927
70 1HD HYP 13 1HD HYP 13 -5.833 -3.332 -5.393
71 2HD HYP 13 2HD HYP 13 -5.668 -5.052 -5.813
72 HOD HYP 13 HOD HYP 13 -3.657 -5.362 -7.423
73 HG HYP 13 HG HYP 13 -5.379 -3.127 -7.750
74 H CYS 14 H CYS 14 -4.093 -1.543 -4.365
75 HA CYS 14 HA CYS 14 -1.698 -0.021 -3.290
76 1HB CYS 14 1HB CYS 14 -3.648 1.263 -4.143
77 2HB CYS 14 2HB CYS 14 -4.702 0.549 -2.883
78 H GLY 15 H GLY 15 -2.697 -2.966 -2.418
79 1HA GLY 15 2HA GLY 15 -3.070 -2.888 0.461
80 2HA GLY 15 1HA GLY 15 -2.369 -4.205 -0.454
81 H CYS 16 H CYS 16 -0.136 -2.503 -1.479
82 HA CYS 16 HA CYS 16 2.012 -2.854 0.402
83 1HB CYS 16 1HB CYS 16 1.551 -1.373 -2.207
84 2HB CYS 16 2HB CYS 16 2.884 -0.759 -1.331
85 H LYS 17 H LYS 17 2.938 -1.645 1.861
86 HA LYS 17 HA LYS 17 1.728 0.897 2.950
87 1HB LYS 17 1HB LYS 17 2.606 -1.094 4.311
88 2HB LYS 17 2HB LYS 17 4.230 -0.623 3.838
89 1HG LYS 17 1HG LYS 17 3.700 0.306 6.052
90 2HG LYS 17 2HG LYS 17 3.927 1.628 4.906
91 1HD LYS 17 1HD LYS 17 1.425 1.855 4.645
92 2HD LYS 17 2HD LYS 17 1.174 0.500 5.752
93 1HE LYS 17 1HE LYS 17 2.303 1.808 7.620
94 2HE LYS 17 2HE LYS 17 2.557 3.168 6.516
95 1HZ LYS 17 1HZ LYS 17 -0.104 2.064 7.285
96 2HZ LYS 17 2HZ LYS 17 0.134 3.332 6.254
97 3HZ LYS 17 3HZ LYS 17 0.563 3.468 7.844
98 H VAL 18 H VAL 18 4.728 -0.247 1.738
99 HA VAL 18 HA VAL 18 5.562 2.511 0.718
100 HB VAL 18 HB VAL 18 7.961 1.918 0.903
101 1HG1 VAL 18 1HG2 VAL 18 8.229 2.612 3.263
102 2HG1 VAL 18 2HG2 VAL 18 6.894 3.500 2.503
103 3HG1 VAL 18 3HG2 VAL 18 6.544 2.162 3.622
104 1HG2 VAL 18 1HG1 VAL 18 7.179 -0.356 2.834
105 2HG2 VAL 18 2HG1 VAL 18 8.823 0.265 2.547
106 3HG2 VAL 18 3HG1 VAL 18 7.951 -0.556 1.244
107 H GLY 19 H GLY 19 5.659 2.528 -1.386
108 1HA GLY 19 1HA GLY 19 6.262 1.842 -3.619
109 2HA GLY 19 2HA GLY 19 6.719 0.262 -3.040
110 H ARG 20 H ARG 20 3.749 2.242 -3.394
111 HA ARG 20 HA ARG 20 2.050 -0.123 -4.332
112 1HB ARG 20 2HB ARG 20 1.430 2.845 -4.024
113 2HB ARG 20 1HB ARG 20 0.305 1.614 -4.533
114 1HG ARG 20 2HG ARG 20 -0.389 1.397 -2.469
115 2HG ARG 20 1HG ARG 20 1.111 0.707 -2.014
116 1HD ARG 20 1HD ARG 20 0.356 3.685 -1.886
117 2HD ARG 20 2HD ARG 20 0.414 2.582 -0.523
118 HE ARG 20 HE ARG 20 3.073 2.540 -1.586
119 1HH1 ARG 20 1HH1 ARG 20 0.931 5.062 -0.283
120 2HH1 ARG 20 2HH1 ARG 20 2.384 6.092 0.159
121 1HH2 ARG 20 2HH2 ARG 20 4.657 3.794 -1.016
122 2HH2 ARG 20 1HH2 ARG 20 4.346 5.422 -0.227
123 HA HYP 21 HA HYP 21 1.481 0.956 -8.727
124 1HB HYP 21 1HB HYP 21 -1.167 2.248 -7.801
125 2HB HYP 21 2HB HYP 21 -0.905 1.241 -9.222
126 1HD HYP 21 1HD HYP 21 -0.292 0.546 -5.215
127 2HD HYP 21 2HD HYP 21 0.512 -0.796 -5.997
128 HOD HYP 21 HOD HYP 21 -0.977 -1.747 -7.463
129 HG HYP 21 HG HYP 21 -1.966 0.232 -6.906
130 HA HYP 22 HA HYP 22 2.270 5.419 -9.538
131 1HB HYP 22 1HB HYP 22 0.361 5.232 -11.923
132 2HB HYP 22 2HB HYP 22 2.018 5.848 -11.876
133 1HD HYP 22 1HD HYP 22 1.845 1.840 -10.703
134 2HD HYP 22 2HD HYP 22 0.211 2.448 -11.082
135 HOD HYP 22 HOD HYP 22 3.528 3.832 -11.016
136 HG HYP 22 HG HYP 22 1.457 3.388 -12.914
137 H TYR 23 H TYR 23 -0.992 4.506 -9.033
138 HA TYR 23 HA TYR 23 -1.908 7.370 -8.654
139 1HB TYR 23 1HB TYR 23 -4.189 6.517 -8.364
140 2HB TYR 23 2HB TYR 23 -3.531 6.051 -9.895
141 HD1 TYR 23 HD1 TYR 23 -4.535 4.764 -6.526
142 HD2 TYR 23 HD2 TYR 23 -3.234 3.638 -10.467
143 HE1 TYR 23 HE1 TYR 23 -5.110 2.423 -6.051
144 HE2 TYR 23 HE2 TYR 23 -3.831 1.303 -9.987
145 HH TYR 23 HH TYR 23 -5.168 0.347 -6.822
146 H CYS 24 H CYS 24 -0.920 4.611 -6.754
147 HA CYS 24 HA CYS 24 -2.148 5.832 -4.245
148 1HB CYS 24 1HB CYS 24 -2.134 3.099 -5.072
149 2HB CYS 24 2HB CYS 24 -0.909 3.144 -3.822
150 H ASP 25 H ASP 25 0.779 5.431 -5.787
151 HA ASP 25 HA ASP 25 2.354 6.426 -3.389
152 1HB ASP 25 2HB ASP 25 3.175 4.133 -4.225
153 2HB ASP 25 1HB ASP 25 3.619 4.875 -5.746
154 HD2 ASP 25 HD2 ASP 25 5.437 3.800 -5.027
155 H ARG 26 H ARG 26 1.890 6.702 -6.919
156 HA ARG 26 HA ARG 26 3.301 9.368 -7.087
157 1HB ARG 26 1HB ARG 26 3.220 7.809 -8.982
158 2HB ARG 26 2HB ARG 26 1.460 7.984 -9.094
159 1HG ARG 26 1HG ARG 26 1.744 10.474 -9.454
160 2HG ARG 26 2HG ARG 26 3.492 10.306 -9.270
161 1HD ARG 26 1HD ARG 26 3.552 8.783 -11.319
162 2HD ARG 26 2HD ARG 26 1.805 9.002 -11.515
163 HE ARG 26 HE ARG 26 3.037 11.652 -11.449
164 1HH1 ARG 26 2HH1 ARG 26 2.904 8.818 -13.595
165 2HH1 ARG 26 1HH1 ARG 26 3.204 9.892 -15.053
166 1HH2 ARG 26 2HH2 ARG 26 3.372 12.776 -13.178
167 2HH2 ARG 26 1HH2 ARG 26 3.451 11.981 -14.831
168 HA HYP 27 HA HYP 27 -0.244 11.066 -4.757
169 1HB HYP 27 1HB HYP 27 0.423 13.645 -6.280
170 2HB HYP 27 2HB HYP 27 0.013 13.438 -4.566
171 1HD HYP 27 1HD HYP 27 2.807 11.984 -7.023
172 2HD HYP 27 2HD HYP 27 3.174 10.956 -5.615
173 HOD HYP 27 HOD HYP 27 1.906 13.103 -3.245
174 HG HYP 27 HG HYP 27 2.609 13.654 -5.342
175 H SER 28 H SER 28 -2.052 10.127 -5.383
176 HA SER 28 HA SER 28 -3.969 11.755 -6.944
177 1HB SER 28 1HB SER 28 -2.985 10.387 -8.794
178 2HB SER 28 2HB SER 28 -3.374 8.892 -7.942
179 HG SER 28 HG SER 28 -5.576 9.528 -8.026
180 H GLY 29 H GLY 29 -4.252 8.275 -6.059
181 1HA GLY 29 2HA GLY 29 -5.269 8.516 -3.415
182 2HA GLY 29 1HA GLY 29 -6.686 8.856 -4.404
183 H GLY 30 H GLY 30 -7.666 7.189 -5.476
184 1HA GLY 30 1HA GLY 30 -6.595 4.332 -5.376
185 2HA GLY 30 2HA GLY 30 -7.947 4.708 -4.319
186 1HN NH2 31 1HN NH2 31 -8.698 4.215 -8.324
187 2HN NH2 31 2HN NH2 31 -6.999 4.164 -7.632
Start of MODEL 4
1 1H GLY 1 1H GLY 1 7.560 -4.947 -3.907
2 2H GLY 1 2H GLY 1 8.506 -5.904 -2.980
3 1HA GLY 1 1HA GLY 1 6.640 -6.889 -5.075
4 2HA GLY 1 2HA GLY 1 7.657 -7.911 -4.063
5 H CYS 2 H CYS 2 4.786 -6.004 -4.188
6 HA CYS 2 HA CYS 2 4.107 -6.491 -1.238
7 1HB CYS 2 1HB CYS 2 3.847 -4.226 -1.559
8 2HB CYS 2 2HB CYS 2 3.304 -4.310 -3.213
9 H CYS 3 H CYS 3 1.369 -6.279 -3.580
10 HA CYS 3 HA CYS 3 1.015 -9.290 -3.364
11 1HB CYS 3 2HB CYS 3 -1.056 -7.149 -2.570
12 2HB CYS 3 1HB CYS 3 -1.251 -8.907 -2.553
13 H GLY 4 H GLY 4 -1.704 -7.402 -4.424
14 1HA GLY 4 1HA GLY 4 -2.535 -6.931 -6.683
15 2HA GLY 4 2HA GLY 4 -0.878 -6.789 -7.079
16 HA PRO 5 HA PRO 5 -2.347 -10.517 -9.581
17 1HB PRO 5 2HB PRO 5 -0.309 -10.342 -11.527
18 2HB PRO 5 1HB PRO 5 -1.882 -9.536 -11.564
19 1HG PRO 5 2HG PRO 5 0.786 -8.387 -10.647
20 2HG PRO 5 1HG PRO 5 -0.453 -7.631 -11.680
21 1HD PRO 5 2HD PRO 5 -0.256 -7.035 -8.987
22 2HD PRO 5 1HD PRO 5 -1.852 -7.094 -9.753
23 H TYR 6 H TYR 6 0.550 -10.101 -7.761
24 HA TYR 6 HA TYR 6 0.709 -13.156 -7.552
25 1HB TYR 6 2HB TYR 6 3.185 -11.334 -7.454
26 2HB TYR 6 1HB TYR 6 3.150 -13.008 -6.973
27 HD1 TYR 6 HD1 TYR 6 3.299 -10.743 -9.862
28 HD2 TYR 6 HD2 TYR 6 2.676 -14.842 -8.709
29 HE1 TYR 6 HE1 TYR 6 3.726 -11.465 -12.170
30 HE2 TYR 6 HE2 TYR 6 3.107 -15.551 -11.023
31 HH TYR 6 HH TYR 6 3.867 -13.179 -13.576
32 HA HYP 7 HA HYP 7 -0.158 -10.974 -3.466
33 1HB HYP 7 1HB HYP 7 -2.344 -10.678 -4.333
34 2HB HYP 7 2HB HYP 7 -2.718 -11.756 -2.986
35 1HD HYP 7 1HD HYP 7 -1.251 -13.889 -6.233
36 2HD HYP 7 2HD HYP 7 -1.667 -12.261 -6.827
37 HOD HYP 7 HOD HYP 7 -4.481 -12.332 -4.885
38 HG HYP 7 HG HYP 7 -2.729 -13.732 -4.426
39 H ASN 8 H ASN 8 -1.358 -12.053 -1.354
40 HA ASN 8 HA ASN 8 -0.051 -14.746 -0.686
41 1HB ASN 8 1HB ASN 8 -1.408 -12.715 1.190
42 2HB ASN 8 2HB ASN 8 -0.965 -14.337 1.663
43 1HD2 ASN 8 2HD2 ASN 8 1.296 -14.876 1.838
44 2HD2 ASN 8 1HD2 ASN 8 2.548 -13.543 1.998
45 H ALA 9 H ALA 9 -3.247 -13.426 0.315
46 HA ALA 9 HA ALA 9 -4.636 -15.735 -1.119
47 1HB ALA 9 1HB ALA 9 -5.275 -15.519 1.280
48 2HB ALA 9 2HB ALA 9 -6.661 -15.127 0.237
49 3HB ALA 9 3HB ALA 9 -5.750 -13.819 1.032
50 H ALA 10 H ALA 10 -6.023 -12.547 -0.621
51 HA ALA 10 HA ALA 10 -5.168 -11.691 -3.379
52 1HB ALA 10 1HB ALA 10 -8.152 -11.469 -2.777
53 2HB ALA 10 2HB ALA 10 -7.241 -10.774 -4.145
54 3HB ALA 10 3HB ALA 10 -7.368 -12.537 -4.009
55 H CYS 11 H CYS 11 -3.987 -11.037 -1.299
56 HA CYS 11 HA CYS 11 -4.702 -8.435 -0.125
57 1HB CYS 11 2HB CYS 11 -2.967 -9.651 0.932
58 2HB CYS 11 1HB CYS 11 -2.067 -9.940 -0.556
59 H HIS 12 H HIS 12 -4.368 -6.331 -0.905
60 HA HIS 12 HA HIS 12 -4.851 -6.185 -3.824
61 1HB HIS 12 2HB HIS 12 -5.313 -4.417 -1.374
62 2HB HIS 12 1HB HIS 12 -5.191 -3.559 -2.851
63 HD1 HIS 12 HD1 HIS 12 -7.501 -3.229 -4.044
64 HD2 HIS 12 HD2 HIS 12 -7.171 -6.849 -1.745
65 HE1 HIS 12 HE1 HIS 12 -9.728 -4.522 -4.072
66 HE2 HIS 12 HE2 HIS 12 -9.637 -6.711 -2.715
67 HA HYP 13 HA HYP 13 -1.184 -4.019 -5.509
68 1HB HYP 13 1HB HYP 13 -2.985 -2.097 -6.980
69 2HB HYP 13 2HB HYP 13 -1.780 -3.203 -7.606
70 1HD HYP 13 1HD HYP 13 -5.178 -4.021 -5.528
71 2HD HYP 13 2HD HYP 13 -4.567 -5.649 -5.914
72 HOD HYP 13 HOD HYP 13 -3.004 -4.742 -8.833
73 HG HYP 13 HG HYP 13 -4.579 -3.538 -7.742
74 H CYS 14 H CYS 14 -3.850 -1.749 -4.750
75 HA CYS 14 HA CYS 14 -2.079 0.254 -3.366
76 1HB CYS 14 1HB CYS 14 -4.082 0.935 -4.693
77 2HB CYS 14 2HB CYS 14 -5.164 0.073 -3.565
78 H GLY 15 H GLY 15 -2.895 -2.828 -2.353
79 1HA GLY 15 2HA GLY 15 -3.712 -2.346 0.455
80 2HA GLY 15 1HA GLY 15 -3.062 -3.813 -0.227
81 H CYS 16 H CYS 16 -0.650 -1.960 -1.154
82 HA CYS 16 HA CYS 16 1.184 -2.920 0.768
83 1HB CYS 16 2HB CYS 16 1.783 -0.703 -1.316
84 2HB CYS 16 1HB CYS 16 2.819 -2.055 -0.822
85 H LYS 17 H LYS 17 2.908 -1.771 1.770
86 HA LYS 17 HA LYS 17 2.160 0.734 3.342
87 1HB LYS 17 2HB LYS 17 4.519 -1.208 3.519
88 2HB LYS 17 1HB LYS 17 4.378 0.278 4.460
89 1HG LYS 17 2HG LYS 17 2.176 -0.537 5.419
90 2HG LYS 17 1HG LYS 17 2.344 -2.042 4.514
91 1HD LYS 17 1HD LYS 17 4.503 -2.555 5.772
92 2HD LYS 17 2HD LYS 17 4.351 -1.032 6.632
93 1HE LYS 17 2HE LYS 17 3.602 -2.730 8.150
94 2HE LYS 17 1HE LYS 17 2.164 -1.829 7.676
95 1HZ LYS 17 1HZ LYS 17 3.002 -4.468 6.554
96 2HZ LYS 17 2HZ LYS 17 1.647 -3.638 6.096
97 3HZ LYS 17 3HZ LYS 17 1.780 -4.217 7.637
98 H VAL 18 H VAL 18 5.013 -0.537 1.974
99 HA VAL 18 HA VAL 18 5.775 2.112 0.641
100 HB VAL 18 HB VAL 18 7.357 1.435 2.393
101 1HG1 VAL 18 1HG1 VAL 18 7.310 -1.076 2.254
102 2HG1 VAL 18 2HG1 VAL 18 8.164 -1.013 0.695
103 3HG1 VAL 18 3HG1 VAL 18 8.961 -0.435 2.179
104 1HG2 VAL 18 1HG2 VAL 18 8.121 2.849 0.498
105 2HG2 VAL 18 2HG2 VAL 18 8.653 1.401 -0.392
106 3HG2 VAL 18 3HG2 VAL 18 9.436 1.847 1.145
107 H GLY 19 H GLY 19 5.923 2.147 -1.491
108 1HA GLY 19 2HA GLY 19 6.374 1.394 -3.740
109 2HA GLY 19 1HA GLY 19 6.506 -0.256 -3.186
110 H ARG 20 H ARG 20 4.219 2.273 -4.086
111 HA ARG 20 HA ARG 20 2.027 0.194 -4.641
112 1HB ARG 20 1HB ARG 20 1.859 3.196 -3.993
113 2HB ARG 20 2HB ARG 20 0.557 2.231 -4.608
114 1HG ARG 20 1HG ARG 20 0.017 2.232 -2.417
115 2HG ARG 20 2HG ARG 20 0.790 0.693 -2.589
116 1HD ARG 20 1HD ARG 20 1.622 1.643 -0.530
117 2HD ARG 20 2HD ARG 20 2.970 1.793 -1.645
118 HE ARG 20 HE ARG 20 1.030 4.142 -1.242
119 1HH1 ARG 20 1HH1 ARG 20 4.369 2.953 -0.936
120 2HH1 ARG 20 2HH1 ARG 20 4.944 4.650 -0.537
121 1HH2 ARG 20 2HH2 ARG 20 1.796 6.014 -0.751
122 2HH2 ARG 20 1HH2 ARG 20 3.588 6.259 -0.440
123 HA HYP 21 HA HYP 21 1.341 1.434 -8.975
124 1HB HYP 21 1HB HYP 21 -1.060 1.320 -9.405
125 2HB HYP 21 2HB HYP 21 -1.462 2.174 -7.907
126 1HD HYP 21 1HD HYP 21 -0.332 0.629 -5.474
127 2HD HYP 21 2HD HYP 21 0.676 -0.607 -6.200
128 HOD HYP 21 HOD HYP 21 -1.106 -0.981 -9.103
129 HG HYP 21 HG HYP 21 -1.879 -0.020 -7.183
130 HA HYP 22 HA HYP 22 1.535 5.984 -9.525
131 1HB HYP 22 1HB HYP 22 0.878 6.600 -11.766
132 2HB HYP 22 2HB HYP 22 -0.626 5.677 -11.687
133 1HD HYP 22 1HD HYP 22 -0.194 2.852 -11.144
134 2HD HYP 22 2HD HYP 22 1.549 2.549 -10.897
135 HOD HYP 22 HOD HYP 22 2.811 4.821 -11.170
136 HG HYP 22 HG HYP 22 0.693 4.157 -12.946
137 H TYR 23 H TYR 23 -1.777 4.800 -9.250
138 HA TYR 23 HA TYR 23 -2.877 7.455 -8.371
139 1HB TYR 23 1HB TYR 23 -5.046 6.307 -8.179
140 2HB TYR 23 2HB TYR 23 -4.349 6.110 -9.750
141 HD1 TYR 23 HD1 TYR 23 -5.333 4.314 -6.642
142 HD2 TYR 23 HD2 TYR 23 -3.545 3.837 -10.528
143 HE1 TYR 23 HE1 TYR 23 -5.497 1.876 -6.428
144 HE2 TYR 23 HE2 TYR 23 -3.717 1.404 -10.303
145 HH TYR 23 HH TYR 23 -4.325 -0.299 -8.999
146 H CYS 24 H CYS 24 -1.509 4.716 -6.795
147 HA CYS 24 HA CYS 24 -2.827 5.351 -4.120
148 1HB CYS 24 1HB CYS 24 -3.034 2.986 -5.041
149 2HB CYS 24 2HB CYS 24 -1.295 2.781 -4.892
150 H ASP 25 H ASP 25 0.055 5.578 -5.793
151 HA ASP 25 HA ASP 25 1.737 6.184 -3.333
152 1HB ASP 25 2HB ASP 25 2.661 4.645 -5.361
153 2HB ASP 25 1HB ASP 25 2.907 6.151 -6.186
154 HD2 ASP 25 HD2 ASP 25 3.995 3.985 -4.060
155 H ARG 26 H ARG 26 0.492 7.582 -6.358
156 HA ARG 26 HA ARG 26 1.474 10.363 -5.812
157 1HB ARG 26 1HB ARG 26 1.015 9.518 -8.081
158 2HB ARG 26 2HB ARG 26 -0.706 9.355 -7.706
159 1HG ARG 26 2HG ARG 26 -0.819 11.841 -7.223
160 2HG ARG 26 1HG ARG 26 0.912 11.982 -7.543
161 1HD ARG 26 2HD ARG 26 0.526 11.199 -9.940
162 2HD ARG 26 1HD ARG 26 -1.212 11.089 -9.613
163 HE ARG 26 HE ARG 26 -0.345 13.796 -8.934
164 1HH1 ARG 26 1HH2 ARG 26 -0.779 11.776 -11.829
165 2HH1 ARG 26 2HH2 ARG 26 -1.064 13.274 -12.849
166 1HH2 ARG 26 1HH1 ARG 26 -0.683 15.430 -10.190
167 2HH2 ARG 26 2HH1 ARG 26 -1.014 15.203 -11.981
168 HA HYP 27 HA HYP 27 -1.391 11.037 -2.386
169 1HB HYP 27 1HB HYP 27 -1.581 13.391 -1.905
170 2HB HYP 27 2HB HYP 27 -1.787 13.828 -3.611
171 1HD HYP 27 1HD HYP 27 1.496 11.765 -4.153
172 2HD HYP 27 2HD HYP 27 0.578 12.806 -5.272
173 HOD HYP 27 HOD HYP 27 0.667 13.433 -1.279
174 HG HYP 27 HG HYP 27 0.531 14.270 -3.394
175 H SER 28 H SER 28 -3.099 9.753 -2.627
176 HA SER 28 HA SER 28 -5.279 10.161 -4.483
177 1HB SER 28 2HB SER 28 -4.497 7.930 -3.681
178 2HB SER 28 1HB SER 28 -5.180 8.243 -2.083
179 HG SER 28 HG SER 28 -7.211 8.516 -3.119
180 H GLY 29 H GLY 29 -5.619 10.180 -0.868
181 1HA GLY 29 2HA GLY 29 -7.104 12.691 -0.737
182 2HA GLY 29 1HA GLY 29 -8.293 11.397 -0.898
183 H GLY 30 H GLY 30 -8.633 10.031 0.847
184 1HA GLY 30 2HA GLY 30 -6.937 9.715 3.205
185 2HA GLY 30 1HA GLY 30 -8.069 11.024 3.553
186 1HN NH2 31 1HN NH2 31 -10.244 10.467 3.957
187 2HN NH2 31 2HN NH2 31 -10.829 8.729 4.021
Start of MODEL 5
1 1H GLY 1 1H GLY 1 6.295 -7.749 5.055
2 2H GLY 1 2H GLY 1 5.556 -6.480 4.339
3 1HA GLY 1 2HA GLY 1 5.591 -8.409 2.878
4 2HA GLY 1 1HA GLY 1 4.735 -9.323 4.116
5 H CYS 2 H CYS 2 4.407 -7.086 1.538
6 HA CYS 2 HA CYS 2 1.514 -6.371 2.124
7 1HB CYS 2 2HB CYS 2 3.010 -4.543 1.356
8 2HB CYS 2 1HB CYS 2 3.442 -5.436 -0.105
9 H CYS 3 H CYS 3 2.232 -6.881 -1.197
10 HA CYS 3 HA CYS 3 1.585 -9.763 -1.295
11 1HB CYS 3 1HB CYS 3 -0.708 -8.786 -1.015
12 2HB CYS 3 2HB CYS 3 -0.557 -7.948 -2.571
13 H GLY 4 H GLY 4 1.116 -7.075 -3.620
14 1HA GLY 4 1HA GLY 4 2.243 -6.645 -5.756
15 2HA GLY 4 2HA GLY 4 3.626 -7.254 -4.925
16 HA PRO 5 HA PRO 5 2.934 -10.415 -8.371
17 1HB PRO 5 2HB PRO 5 5.620 -10.971 -8.839
18 2HB PRO 5 1HB PRO 5 4.738 -9.604 -9.534
19 1HG PRO 5 1HG PRO 5 6.505 -9.602 -7.040
20 2HG PRO 5 2HG PRO 5 6.572 -8.474 -8.419
21 1HD PRO 5 2HD PRO 5 5.215 -7.825 -6.095
22 2HD PRO 5 1HD PRO 5 4.566 -7.310 -7.663
23 H TYR 6 H TYR 6 4.225 -10.728 -5.176
24 HA TYR 6 HA TYR 6 3.982 -13.791 -5.299
25 1HB TYR 6 2HB TYR 6 6.314 -12.330 -3.928
26 2HB TYR 6 1HB TYR 6 5.916 -14.012 -3.703
27 HD1 TYR 6 HD1 TYR 6 6.091 -15.656 -5.675
28 HD2 TYR 6 HD2 TYR 6 7.543 -11.614 -5.955
29 HE1 TYR 6 HE1 TYR 6 7.429 -16.264 -7.643
30 HE2 TYR 6 HE2 TYR 6 8.871 -12.234 -7.925
31 HH TYR 6 HH TYR 6 8.845 -15.563 -9.204
32 HA HYP 7 HA HYP 7 1.114 -11.692 -2.360
33 1HB HYP 7 1HB HYP 7 0.014 -14.559 -2.145
34 2HB HYP 7 2HB HYP 7 -0.889 -13.035 -2.200
35 1HD HYP 7 1HD HYP 7 1.786 -14.899 -4.497
36 2HD HYP 7 2HD HYP 7 1.712 -13.400 -5.459
37 HOD HYP 7 HOD HYP 7 0.008 -11.782 -4.408
38 HG HYP 7 HG HYP 7 -0.574 -14.564 -4.447
39 H ASN 8 H ASN 8 0.642 -11.457 -0.218
40 HA ASN 8 HA ASN 8 1.465 -13.526 1.800
41 1HB ASN 8 1HB ASN 8 3.547 -12.078 1.412
42 2HB ASN 8 2HB ASN 8 2.656 -10.672 1.939
43 1HD2 ASN 8 1HD2 ASN 8 3.870 -13.845 2.994
44 2HD2 ASN 8 2HD2 ASN 8 3.986 -13.385 4.767
45 H ALA 9 H ALA 9 0.901 -10.366 3.014
46 HA ALA 9 HA ALA 9 -1.664 -11.385 4.210
47 1HB ALA 9 1HB ALA 9 -1.316 -9.594 5.893
48 2HB ALA 9 2HB ALA 9 0.043 -8.930 4.951
49 3HB ALA 9 3HB ALA 9 0.161 -10.555 5.677
50 H ALA 10 H ALA 10 -0.887 -8.631 2.080
51 HA ALA 10 HA ALA 10 -3.660 -7.420 2.592
52 1HB ALA 10 1HB ALA 10 -0.990 -5.911 2.139
53 2HB ALA 10 2HB ALA 10 -1.875 -6.008 3.684
54 3HB ALA 10 3HB ALA 10 -2.594 -5.171 2.286
55 H CYS 11 H CYS 11 -3.637 -9.160 0.754
56 HA CYS 11 HA CYS 11 -2.626 -8.342 -1.788
57 1HB CYS 11 2HB CYS 11 -3.215 -10.780 -0.994
58 2HB CYS 11 1HB CYS 11 -4.735 -10.486 -1.880
59 H HIS 12 H HIS 12 -3.115 -6.530 -2.346
60 HA HIS 12 HA HIS 12 -5.622 -5.887 -3.908
61 1HB HIS 12 2HB HIS 12 -4.493 -4.168 -1.569
62 2HB HIS 12 1HB HIS 12 -5.520 -3.485 -2.783
63 HD1 HIS 12 HD1 HIS 12 -8.180 -4.620 -2.915
64 HD2 HIS 12 HD2 HIS 12 -5.670 -5.370 0.494
65 HE1 HIS 12 HE1 HIS 12 -9.588 -5.464 -0.929
66 HE2 HIS 12 HE2 HIS 12 -8.174 -5.945 1.173
67 HA HYP 13 HA HYP 13 -2.355 -4.106 -6.668
68 1HB HYP 13 1HB HYP 13 -4.038 -1.583 -6.813
69 2HB HYP 13 2HB HYP 13 -3.242 -2.462 -8.099
70 1HD HYP 13 1HD HYP 13 -6.011 -3.487 -5.307
71 2HD HYP 13 2HD HYP 13 -5.795 -5.082 -6.072
72 HOD HYP 13 HOD HYP 13 -5.775 -4.885 -8.362
73 HG HYP 13 HG HYP 13 -5.962 -2.752 -7.591
74 H CYS 14 H CYS 14 -3.632 -1.632 -4.406
75 HA CYS 14 HA CYS 14 -0.818 -1.251 -3.392
76 1HB CYS 14 2HB CYS 14 -1.223 0.882 -4.494
77 2HB CYS 14 1HB CYS 14 -2.697 1.191 -3.655
78 H GLY 15 H GLY 15 -1.759 -3.122 -2.290
79 1HA GLY 15 2HA GLY 15 -3.374 -2.517 0.207
80 2HA GLY 15 1HA GLY 15 -2.526 -4.008 -0.138
81 H CYS 16 H CYS 16 -0.179 -1.928 -0.776
82 HA CYS 16 HA CYS 16 1.409 -2.481 1.535
83 1HB CYS 16 2HB CYS 16 1.973 -0.683 -0.981
84 2HB CYS 16 1HB CYS 16 3.156 -1.587 0.009
85 H LYS 17 H LYS 17 3.034 -1.070 2.284
86 HA LYS 17 HA LYS 17 2.154 1.671 3.299
87 1HB LYS 17 2HB LYS 17 4.515 -0.143 4.017
88 2HB LYS 17 1HB LYS 17 4.318 1.510 4.602
89 1HG LYS 17 1HG LYS 17 2.077 0.890 5.610
90 2HG LYS 17 2HG LYS 17 2.297 -0.776 5.070
91 1HD LYS 17 2HD LYS 17 4.381 -0.972 6.494
92 2HD LYS 17 1HD LYS 17 4.192 0.706 7.016
93 1HE LYS 17 1HE LYS 17 1.960 0.128 8.088
94 2HE LYS 17 2HE LYS 17 2.145 -1.554 7.568
95 1HZ LYS 17 1HZ LYS 17 4.175 -1.686 8.918
96 2HZ LYS 17 2HZ LYS 17 4.004 -0.117 9.404
97 3HZ LYS 17 3HZ LYS 17 2.883 -1.247 9.848
98 H VAL 18 H VAL 18 4.967 0.074 2.135
99 HA VAL 18 HA VAL 18 5.671 2.358 0.222
100 HB VAL 18 HB VAL 18 7.322 2.217 2.040
101 1HG1 VAL 18 1HG1 VAL 18 8.201 -0.548 0.990
102 2HG1 VAL 18 2HG1 VAL 18 7.389 -0.246 2.543
103 3HG1 VAL 18 3HG1 VAL 18 9.005 0.418 2.251
104 1HG2 VAL 18 1HG2 VAL 18 9.349 2.378 0.656
105 2HG2 VAL 18 2HG2 VAL 18 8.550 1.526 -0.690
106 3HG2 VAL 18 3HG2 VAL 18 7.974 3.131 -0.177
107 H GLY 19 H GLY 19 5.782 1.839 -1.865
108 1HA GLY 19 2HA GLY 19 6.308 0.463 -3.817
109 2HA GLY 19 1HA GLY 19 6.264 -0.992 -2.852
110 H ARG 20 H ARG 20 4.231 1.474 -4.340
111 HA ARG 20 HA ARG 20 2.047 -0.467 -5.048
112 1HB ARG 20 2HB ARG 20 0.349 0.663 -3.735
113 2HB ARG 20 1HB ARG 20 1.591 0.031 -2.676
114 1HG ARG 20 1HG ARG 20 1.099 2.911 -3.490
115 2HG ARG 20 2HG ARG 20 0.580 2.200 -2.026
116 1HD ARG 20 2HD ARG 20 3.054 1.881 -1.351
117 2HD ARG 20 1HD ARG 20 3.505 2.766 -2.820
118 HE ARG 20 HE ARG 20 1.587 4.263 -1.098
119 1HH1 ARG 20 1HH2 ARG 20 5.043 3.657 -1.688
120 2HH1 ARG 20 2HH2 ARG 20 5.495 5.181 -0.771
121 1HH2 ARG 20 1HH1 ARG 20 2.230 5.978 -0.036
122 2HH2 ARG 20 2HH1 ARG 20 4.009 6.404 0.100
123 HA HYP 21 HA HYP 21 1.103 2.031 -8.669
124 1HB HYP 21 1HB HYP 21 -1.359 2.078 -9.017
125 2HB HYP 21 2HB HYP 21 -1.657 2.226 -7.279
126 1HD HYP 21 1HD HYP 21 0.859 -0.770 -7.148
127 2HD HYP 21 2HD HYP 21 -0.206 -0.269 -5.855
128 HOD HYP 21 HOD HYP 21 -0.571 -1.307 -8.882
129 HG HYP 21 HG HYP 21 -1.899 -0.107 -7.467
130 HA HYP 22 HA HYP 22 1.439 6.488 -8.251
131 1HB HYP 22 1HB HYP 22 0.711 7.603 -10.260
132 2HB HYP 22 2HB HYP 22 -0.800 6.690 -10.346
133 1HD HYP 22 1HD HYP 22 -0.374 3.799 -10.440
134 2HD HYP 22 2HD HYP 22 1.369 3.473 -10.236
135 HOD HYP 22 HOD HYP 22 2.635 5.724 -10.062
136 HG HYP 22 HG HYP 22 0.493 5.459 -11.915
137 H TYR 23 H TYR 23 -2.044 5.618 -8.237
138 HA TYR 23 HA TYR 23 -2.972 8.111 -6.939
139 1HB TYR 23 1HB TYR 23 -5.128 6.935 -6.650
140 2HB TYR 23 2HB TYR 23 -4.543 6.890 -8.277
141 HD1 TYR 23 HD1 TYR 23 -3.959 4.734 -9.371
142 HD2 TYR 23 HD2 TYR 23 -5.130 4.780 -5.230
143 HE1 TYR 23 HE1 TYR 23 -4.141 2.288 -9.390
144 HE2 TYR 23 HE2 TYR 23 -5.286 2.331 -5.256
145 HH TYR 23 HH TYR 23 -4.605 0.462 -8.215
146 H CYS 24 H CYS 24 -1.462 5.353 -5.627
147 HA CYS 24 HA CYS 24 -2.604 5.645 -2.832
148 1HB CYS 24 2HB CYS 24 -2.443 3.340 -3.991
149 2HB CYS 24 1HB CYS 24 -0.812 3.387 -3.999
150 H ASP 25 H ASP 25 0.149 6.296 -4.654
151 HA ASP 25 HA ASP 25 1.850 7.122 -2.265
152 1HB ASP 25 2HB ASP 25 2.942 5.795 -4.151
153 2HB ASP 25 1HB ASP 25 2.597 7.098 -5.271
154 HD2 ASP 25 HD2 ASP 25 5.252 9.062 -4.306
155 H ARG 26 H ARG 26 -0.055 8.511 -4.913
156 HA ARG 26 HA ARG 26 0.680 11.367 -4.339
157 1HB ARG 26 2HB ARG 26 -1.684 10.068 -5.823
158 2HB ARG 26 1HB ARG 26 -1.606 11.790 -5.502
159 1HG ARG 26 1HG ARG 26 0.556 11.994 -6.732
160 2HG ARG 26 2HG ARG 26 0.578 10.278 -7.079
161 1HD ARG 26 2HD ARG 26 -1.608 12.248 -8.049
162 2HD ARG 26 1HD ARG 26 -0.195 11.764 -8.990
163 HE ARG 26 HE ARG 26 -1.597 9.324 -8.234
164 1HH1 ARG 26 1HH2 ARG 26 -2.083 12.134 -10.357
165 2HH1 ARG 26 2HH2 ARG 26 -3.145 11.129 -11.465
166 1HH2 ARG 26 1HH1 ARG 26 -2.820 8.277 -9.563
167 2HH2 ARG 26 2HH1 ARG 26 -3.534 9.094 -11.043
168 HA HYP 27 HA HYP 27 -1.688 12.441 -0.814
169 1HB HYP 27 1HB HYP 27 -2.650 14.631 -0.901
170 2HB HYP 27 2HB HYP 27 -3.500 14.317 -2.425
171 1HD HYP 27 1HD HYP 27 -1.665 13.508 -4.597
172 2HD HYP 27 2HD HYP 27 -0.033 13.383 -3.906
173 HOD HYP 27 HOD HYP 27 -0.531 15.564 -1.289
174 HG HYP 27 HG HYP 27 -1.648 15.509 -3.275
175 H SER 28 H SER 28 -2.712 10.561 -0.242
176 HA SER 28 HA SER 28 -5.294 9.699 -1.188
177 1HB SER 28 2HB SER 28 -5.197 7.947 0.540
178 2HB SER 28 1HB SER 28 -3.681 8.098 -0.339
179 HG SER 28 HG SER 28 -4.259 9.207 2.212
180 H GLY 29 H GLY 29 -4.621 11.022 2.126
181 1HA GLY 29 2HA GLY 29 -7.037 12.681 2.206
182 2HA GLY 29 1HA GLY 29 -7.427 11.124 2.939
183 H GLY 30 H GLY 30 -5.695 14.084 3.328
184 1HA GLY 30 1HA GLY 30 -5.571 13.894 6.254
185 2HA GLY 30 2HA GLY 30 -3.987 13.451 5.614
186 1HN NH2 31 1HN NH2 31 -6.162 16.096 6.189
187 2HN NH2 31 2HN NH2 31 -5.035 17.410 5.583
Start of MODEL 6
1 1H GLY 1 1H GLY 1 8.567 -7.312 2.519
2 2H GLY 1 2H GLY 1 7.374 -6.430 1.831
3 1HA GLY 1 1HA GLY 1 6.945 -8.803 1.610
4 2HA GLY 1 2HA GLY 1 7.015 -8.947 3.364
5 H CYS 2 H CYS 2 5.073 -7.951 0.663
6 HA CYS 2 HA CYS 2 2.645 -7.470 2.478
7 1HB CYS 2 1HB CYS 2 3.401 -5.276 1.723
8 2HB CYS 2 2HB CYS 2 3.647 -5.804 0.062
9 H CYS 3 H CYS 3 1.889 -7.331 -0.767
10 HA CYS 3 HA CYS 3 1.882 -10.178 -1.409
11 1HB CYS 3 2HB CYS 3 -0.049 -10.311 0.141
12 2HB CYS 3 1HB CYS 3 -0.942 -9.125 -0.811
13 H GLY 4 H GLY 4 -0.597 -7.719 -2.498
14 1HA GLY 4 1HA GLY 4 0.349 -6.174 -4.395
15 2HA GLY 4 2HA GLY 4 0.970 -7.613 -5.156
16 HA PRO 5 HA PRO 5 -3.080 -6.037 -7.102
17 1HB PRO 5 2HB PRO 5 -1.557 -7.357 -9.425
18 2HB PRO 5 1HB PRO 5 -2.649 -5.956 -9.484
19 1HG PRO 5 2HG PRO 5 0.040 -5.567 -9.371
20 2HG PRO 5 1HG PRO 5 -1.034 -4.531 -8.405
21 1HD PRO 5 1HD PRO 5 0.726 -6.807 -7.431
22 2HD PRO 5 2HD PRO 5 0.222 -5.323 -6.590
23 H TYR 6 H TYR 6 -2.004 -9.382 -7.062
24 HA TYR 6 HA TYR 6 -4.428 -10.312 -8.648
25 1HB TYR 6 2HB TYR 6 -2.018 -11.929 -7.642
26 2HB TYR 6 1HB TYR 6 -3.370 -12.600 -8.513
27 HD1 TYR 6 HD1 TYR 6 -0.292 -10.586 -8.857
28 HD2 TYR 6 HD2 TYR 6 -3.795 -11.970 -10.942
29 HE1 TYR 6 HE1 TYR 6 0.749 -10.008 -11.005
30 HE2 TYR 6 HE2 TYR 6 -2.739 -11.389 -13.084
31 HH TYR 6 HH TYR 6 -0.947 -10.554 -14.095
32 HA HYP 7 HA HYP 7 -6.226 -10.599 -4.444
33 1HB HYP 7 1HB HYP 7 -8.133 -9.697 -5.291
34 2HB HYP 7 2HB HYP 7 -8.839 -11.293 -4.999
35 1HD HYP 7 1HD HYP 7 -6.562 -11.204 -8.528
36 2HD HYP 7 2HD HYP 7 -6.645 -9.558 -7.829
37 HOD HYP 7 HOD HYP 7 -9.135 -10.189 -8.570
38 HG HYP 7 HG HYP 7 -8.459 -11.977 -7.319
39 H ASN 8 H ASN 8 -6.286 -12.005 -2.861
40 HA ASN 8 HA ASN 8 -7.533 -14.675 -3.083
41 1HB ASN 8 1HB ASN 8 -5.648 -16.058 -2.224
42 2HB ASN 8 2HB ASN 8 -5.509 -15.567 -3.880
43 1HD2 ASN 8 2HD2 ASN 8 -3.797 -14.108 -4.479
44 2HD2 ASN 8 1HD2 ASN 8 -2.349 -13.893 -3.372
45 H ALA 9 H ALA 9 -5.120 -13.522 -0.684
46 HA ALA 9 HA ALA 9 -7.292 -13.649 1.460
47 1HB ALA 9 1HB ALA 9 -4.228 -13.600 1.756
48 2HB ALA 9 2HB ALA 9 -5.411 -13.717 3.082
49 3HB ALA 9 3HB ALA 9 -5.293 -15.022 1.885
50 H ALA 10 H ALA 10 -4.500 -11.511 1.702
51 HA ALA 10 HA ALA 10 -6.318 -9.024 1.531
52 1HB ALA 10 1HB ALA 10 -5.328 -9.322 3.838
53 2HB ALA 10 2HB ALA 10 -4.670 -7.885 3.015
54 3HB ALA 10 3HB ALA 10 -3.687 -9.357 3.126
55 H CYS 11 H CYS 11 -5.497 -10.128 -0.780
56 HA CYS 11 HA CYS 11 -2.883 -8.853 -1.622
57 1HB CYS 11 2HB CYS 11 -3.591 -11.400 -1.847
58 2HB CYS 11 1HB CYS 11 -4.378 -10.857 -3.321
59 H HIS 12 H HIS 12 -3.407 -6.799 -1.857
60 HA HIS 12 HA HIS 12 -5.401 -5.949 -4.027
61 1HB HIS 12 1HB HIS 12 -4.588 -4.560 -1.387
62 2HB HIS 12 2HB HIS 12 -5.522 -3.774 -2.619
63 HD1 HIS 12 HD1 HIS 12 -8.099 -4.918 -3.156
64 HD2 HIS 12 HD2 HIS 12 -5.902 -6.162 0.324
65 HE1 HIS 12 HE1 HIS 12 -9.654 -6.123 -1.491
66 HE2 HIS 12 HE2 HIS 12 -8.430 -6.912 0.637
67 HA HYP 13 HA HYP 13 -1.941 -4.033 -6.214
68 1HB HYP 13 1HB HYP 13 -3.030 -3.144 -7.962
69 2HB HYP 13 2HB HYP 13 -3.213 -1.614 -7.140
70 1HD HYP 13 1HD HYP 13 -5.180 -5.056 -6.378
71 2HD HYP 13 2HD HYP 13 -5.887 -3.950 -5.165
72 HOD HYP 13 HOD HYP 13 -5.151 -3.976 -8.408
73 HG HYP 13 HG HYP 13 -5.351 -2.022 -6.352
74 H CYS 14 H CYS 14 -3.614 -1.505 -4.260
75 HA CYS 14 HA CYS 14 -0.886 -0.810 -3.085
76 1HB CYS 14 2HB CYS 14 -1.683 1.078 -4.525
77 2HB CYS 14 1HB CYS 14 -3.111 1.283 -3.539
78 H GLY 15 H GLY 15 -2.099 -2.892 -2.033
79 1HA GLY 15 1HA GLY 15 -3.653 -2.135 0.456
80 2HA GLY 15 2HA GLY 15 -3.025 -3.724 0.053
81 H CYS 16 H CYS 16 -0.342 -2.779 -0.555
82 HA CYS 16 HA CYS 16 1.110 -2.912 1.936
83 1HB CYS 16 2HB CYS 16 2.095 -1.694 -0.750
84 2HB CYS 16 1HB CYS 16 3.038 -2.623 0.438
85 H LYS 17 H LYS 17 2.775 -1.375 2.582
86 HA LYS 17 HA LYS 17 1.854 1.476 2.973
87 1HB LYS 17 2HB LYS 17 2.921 -0.040 4.741
88 2HB LYS 17 1HB LYS 17 4.440 0.125 3.872
89 1HG LYS 17 1HG LYS 17 4.353 1.761 5.699
90 2HG LYS 17 2HG LYS 17 4.358 2.626 4.161
91 1HD LYS 17 1HD LYS 17 1.858 2.933 4.302
92 2HD LYS 17 2HD LYS 17 1.813 2.009 5.808
93 1HE LYS 17 1HE LYS 17 3.278 3.753 6.936
94 2HE LYS 17 2HE LYS 17 3.330 4.684 5.431
95 1HZ LYS 17 1HZ LYS 17 0.854 4.049 6.964
96 2HZ LYS 17 2HZ LYS 17 0.903 4.917 5.559
97 3HZ LYS 17 3HZ LYS 17 1.621 5.511 6.924
98 H VAL 18 H VAL 18 4.890 0.081 2.180
99 HA VAL 18 HA VAL 18 5.600 2.329 0.242
100 HB VAL 18 HB VAL 18 7.940 1.528 0.342
101 1HG1 VAL 18 1HG2 VAL 18 6.814 2.261 3.107
102 2HG1 VAL 18 2HG2 VAL 18 8.491 2.479 2.549
103 3HG1 VAL 18 3HG2 VAL 18 7.179 3.402 1.791
104 1HG2 VAL 18 1HG1 VAL 18 7.700 -0.873 1.003
105 2HG2 VAL 18 2HG1 VAL 18 8.787 -0.001 2.098
106 3HG2 VAL 18 3HG1 VAL 18 7.128 -0.389 2.616
107 H GLY 19 H GLY 19 6.065 2.024 -1.843
108 1HA GLY 19 2HA GLY 19 6.547 0.929 -3.921
109 2HA GLY 19 1HA GLY 19 6.621 -0.611 -3.099
110 H ARG 20 H ARG 20 4.299 1.824 -4.260
111 HA ARG 20 HA ARG 20 2.431 -0.320 -5.304
112 1HB ARG 20 2HB ARG 20 0.557 0.407 -4.096
113 2HB ARG 20 1HB ARG 20 1.805 0.051 -2.943
114 1HG ARG 20 2HG ARG 20 0.778 2.834 -3.780
115 2HG ARG 20 1HG ARG 20 0.339 1.879 -2.376
116 1HD ARG 20 2HD ARG 20 1.753 3.398 -1.398
117 2HD ARG 20 1HD ARG 20 2.813 2.000 -1.595
118 HE ARG 20 HE ARG 20 3.129 3.684 -3.951
119 1HH1 ARG 20 2HH1 ARG 20 3.874 3.854 -0.479
120 2HH1 ARG 20 1HH1 ARG 20 5.382 4.837 -0.836
121 1HH2 ARG 20 2HH2 ARG 20 4.874 4.796 -4.241
122 2HH2 ARG 20 1HH2 ARG 20 5.908 5.334 -2.823
123 HA HYP 21 HA HYP 21 1.191 1.871 -8.845
124 1HB HYP 21 1HB HYP 21 -1.236 1.879 -9.176
125 2HB HYP 21 2HB HYP 21 -1.544 2.357 -7.499
126 1HD HYP 21 1HD HYP 21 -0.078 0.055 -5.638
127 2HD HYP 21 2HD HYP 21 0.869 -0.688 -6.893
128 HOD HYP 21 HOD HYP 21 0.131 -0.331 -9.157
129 HG HYP 21 HG HYP 21 -1.876 0.085 -7.188
130 HA HYP 22 HA HYP 22 1.482 6.427 -8.781
131 1HB HYP 22 1HB HYP 22 0.967 7.267 -10.979
132 2HB HYP 22 2HB HYP 22 -0.499 6.294 -11.129
133 1HD HYP 22 1HD HYP 22 -0.004 3.440 -10.846
134 2HD HYP 22 2HD HYP 22 1.720 3.188 -10.456
135 HOD HYP 22 HOD HYP 22 2.852 6.140 -11.845
136 HG HYP 22 HG HYP 22 0.985 4.957 -12.410
137 H TYR 23 H TYR 23 -1.878 5.239 -8.867
138 HA TYR 23 HA TYR 23 -3.081 7.864 -8.138
139 1HB TYR 23 1HB TYR 23 -5.221 6.658 -7.979
140 2HB TYR 23 2HB TYR 23 -4.417 6.346 -9.479
141 HD1 TYR 23 HD1 TYR 23 -3.699 4.040 -10.080
142 HD2 TYR 23 HD2 TYR 23 -5.361 4.809 -6.185
143 HE1 TYR 23 HE1 TYR 23 -3.861 1.626 -9.662
144 HE2 TYR 23 HE2 TYR 23 -5.481 2.392 -5.768
145 HH TYR 23 HH TYR 23 -4.440 0.033 -8.226
146 H CYS 24 H CYS 24 -1.731 5.315 -6.264
147 HA CYS 24 HA CYS 24 -3.275 5.908 -3.750
148 1HB CYS 24 1HB CYS 24 -2.842 3.569 -4.495
149 2HB CYS 24 2HB CYS 24 -1.110 3.813 -4.481
150 H ASP 25 H ASP 25 -0.260 6.588 -5.113
151 HA ASP 25 HA ASP 25 0.828 7.898 -2.583
152 1HB ASP 25 2HB ASP 25 2.381 6.254 -3.854
153 2HB ASP 25 1HB ASP 25 2.418 7.390 -5.183
154 HD2 ASP 25 HD2 ASP 25 2.957 7.013 -1.832
155 H ARG 26 H ARG 26 -0.357 8.541 -5.829
156 HA ARG 26 HA ARG 26 0.259 11.464 -5.888
157 1HB ARG 26 1HB ARG 26 -0.168 10.105 -7.876
158 2HB ARG 26 2HB ARG 26 -1.847 9.837 -7.385
159 1HG ARG 26 2HG ARG 26 -2.244 12.340 -7.435
160 2HG ARG 26 1HG ARG 26 -0.553 12.600 -7.872
161 1HD ARG 26 2HD ARG 26 -0.911 11.276 -10.023
162 2HD ARG 26 1HD ARG 26 -2.614 11.049 -9.587
163 HE ARG 26 HE ARG 26 -2.059 13.917 -9.551
164 1HH1 ARG 26 2HH2 ARG 26 -2.323 11.277 -11.920
165 2HH1 ARG 26 1HH2 ARG 26 -2.814 12.475 -13.220
166 1HH2 ARG 26 1HH1 ARG 26 -2.626 15.188 -11.108
167 2HH2 ARG 26 2HH1 ARG 26 -2.973 14.539 -12.789
168 HA HYP 27 HA HYP 27 -2.602 12.130 -2.394
169 1HB HYP 27 1HB HYP 27 -2.893 14.951 -3.563
170 2HB HYP 27 2HB HYP 27 -2.665 14.462 -1.874
171 1HD HYP 27 1HD HYP 27 -0.667 13.923 -5.288
172 2HD HYP 27 2HD HYP 27 0.334 12.865 -4.261
173 HOD HYP 27 HOD HYP 27 0.747 13.838 -2.222
174 HG HYP 27 HG HYP 27 -0.556 15.320 -3.361
175 H SER 28 H SER 28 -4.385 10.985 -2.583
176 HA SER 28 HA SER 28 -6.502 11.396 -4.508
177 1HB SER 28 1HB SER 28 -7.732 9.603 -3.351
178 2HB SER 28 2HB SER 28 -6.047 9.180 -3.621
179 HG SER 28 HG SER 28 -7.161 10.170 -1.201
180 H GLY 29 H GLY 29 -6.768 11.972 -0.934
181 1HA GLY 29 2HA GLY 29 -8.233 14.477 -1.186
182 2HA GLY 29 1HA GLY 29 -9.439 13.193 -1.091
183 H GLY 30 H GLY 30 -9.717 12.120 0.858
184 1HA GLY 30 2HA GLY 30 -9.211 11.474 3.157
185 2HA GLY 30 1HA GLY 30 -7.929 12.659 3.261
186 1HN NH2 31 1HN NH2 31 -10.171 15.174 4.612
187 2HN NH2 31 2HN NH2 31 -8.484 14.747 4.028
Start of MODEL 7
1 1H GLY 1 1H GLY 1 8.453 -5.778 -1.420
2 2H GLY 1 2H GLY 1 7.687 -5.428 -2.820
3 1HA GLY 1 1HA GLY 1 7.014 -7.763 -3.104
4 2HA GLY 1 2HA GLY 1 7.834 -8.125 -1.587
5 H CYS 2 H CYS 2 5.013 -6.723 -3.032
6 HA CYS 2 HA CYS 2 3.819 -5.868 -0.354
7 1HB CYS 2 2HB CYS 2 3.902 -4.185 -2.151
8 2HB CYS 2 1HB CYS 2 3.019 -5.227 -3.275
9 H CYS 3 H CYS 3 1.521 -6.798 -2.709
10 HA CYS 3 HA CYS 3 1.486 -9.683 -2.101
11 1HB CYS 3 2HB CYS 3 0.344 -8.905 -0.019
12 2HB CYS 3 1HB CYS 3 -0.941 -8.170 -0.980
13 H GLY 4 H GLY 4 -1.272 -7.509 -3.048
14 1HA GLY 4 1HA GLY 4 -1.432 -6.867 -5.519
15 2HA GLY 4 2HA GLY 4 -0.766 -8.407 -5.961
16 HA PRO 5 HA PRO 5 -5.467 -8.297 -6.317
17 1HB PRO 5 1HB PRO 5 -5.817 -8.645 -9.023
18 2HB PRO 5 2HB PRO 5 -5.291 -7.134 -8.288
19 1HG PRO 5 1HG PRO 5 -3.521 -9.324 -9.505
20 2HG PRO 5 2HG PRO 5 -3.502 -7.585 -9.897
21 1HD PRO 5 1HD PRO 5 -1.735 -8.681 -8.049
22 2HD PRO 5 2HD PRO 5 -2.391 -7.042 -7.810
23 H TYR 6 H TYR 6 -4.675 -10.419 -5.069
24 HA TYR 6 HA TYR 6 -6.725 -12.414 -6.102
25 1HB TYR 6 1HB TYR 6 -4.017 -13.327 -4.928
26 2HB TYR 6 2HB TYR 6 -5.413 -14.346 -5.132
27 HD1 TYR 6 HD1 TYR 6 -2.556 -12.830 -6.855
28 HD2 TYR 6 HD2 TYR 6 -6.304 -14.844 -7.510
29 HE1 TYR 6 HE1 TYR 6 -1.904 -13.305 -9.173
30 HE2 TYR 6 HE2 TYR 6 -5.637 -15.312 -9.828
31 HH TYR 6 HH TYR 6 -4.066 -15.087 -11.380
32 HA HYP 7 HA HYP 7 -7.127 -10.313 -1.937
33 1HB HYP 7 1HB HYP 7 -8.688 -8.885 -2.762
34 2HB HYP 7 2HB HYP 7 -9.853 -9.850 -1.844
35 1HD HYP 7 1HD HYP 7 -8.026 -10.090 -5.375
36 2HD HYP 7 2HD HYP 7 -8.797 -11.703 -5.460
37 HOD HYP 7 HOD HYP 7 -9.677 -8.619 -4.793
38 HG HYP 7 HG HYP 7 -10.426 -11.185 -3.811
39 H ASN 8 H ASN 8 -7.251 -11.057 -0.003
40 HA ASN 8 HA ASN 8 -9.435 -12.901 0.888
41 1HB ASN 8 1HB ASN 8 -7.541 -14.495 0.305
42 2HB ASN 8 2HB ASN 8 -6.498 -13.686 1.451
43 1HD2 ASN 8 1HD2 ASN 8 -9.362 -15.723 1.119
44 2HD2 ASN 8 2HD2 ASN 8 -9.353 -16.313 2.856
45 H ALA 9 H ALA 9 -6.414 -11.840 2.512
46 HA ALA 9 HA ALA 9 -8.081 -10.186 4.463
47 1HB ALA 9 1HB ALA 9 -6.088 -10.260 5.946
48 2HB ALA 9 2HB ALA 9 -5.187 -11.201 4.733
49 3HB ALA 9 3HB ALA 9 -6.637 -11.891 5.507
50 H ALA 10 H ALA 10 -4.736 -9.355 3.818
51 HA ALA 10 HA ALA 10 -5.542 -6.562 2.948
52 1HB ALA 10 1HB ALA 10 -3.723 -6.944 4.691
53 2HB ALA 10 2HB ALA 10 -3.112 -6.067 3.277
54 3HB ALA 10 3HB ALA 10 -2.740 -7.789 3.461
55 H CYS 11 H CYS 11 -5.148 -9.282 1.062
56 HA CYS 11 HA CYS 11 -2.994 -8.426 -0.707
57 1HB CYS 11 2HB CYS 11 -3.893 -10.857 -0.227
58 2HB CYS 11 1HB CYS 11 -4.967 -10.553 -1.591
59 H HIS 12 H HIS 12 -3.208 -6.594 -1.675
60 HA HIS 12 HA HIS 12 -5.301 -6.111 -3.822
61 1HB HIS 12 1HB HIS 12 -4.758 -4.306 -1.357
62 2HB HIS 12 2HB HIS 12 -5.485 -3.665 -2.789
63 HD1 HIS 12 HD1 HIS 12 -7.967 -5.042 -3.574
64 HD2 HIS 12 HD2 HIS 12 -6.433 -5.308 0.433
65 HE1 HIS 12 HE1 HIS 12 -9.816 -5.805 -1.950
66 HE2 HIS 12 HE2 HIS 12 -8.996 -5.998 0.487
67 HA HYP 13 HA HYP 13 -1.693 -4.126 -5.934
68 1HB HYP 13 1HB HYP 13 -2.474 -2.992 -7.834
69 2HB HYP 13 2HB HYP 13 -3.594 -1.981 -6.929
70 1HD HYP 13 1HD HYP 13 -5.143 -5.550 -5.967
71 2HD HYP 13 2HD HYP 13 -5.627 -3.902 -5.481
72 HOD HYP 13 HOD HYP 13 -3.205 -5.447 -7.645
73 HG HYP 13 HG HYP 13 -5.210 -3.446 -7.777
74 H CYS 14 H CYS 14 -3.955 -1.690 -4.550
75 HA CYS 14 HA CYS 14 -1.631 -0.044 -3.437
76 1HB CYS 14 1HB CYS 14 -2.959 1.313 -4.732
77 2HB CYS 14 2HB CYS 14 -4.537 0.608 -4.230
78 H GLY 15 H GLY 15 -2.518 -2.680 -2.290
79 1HA GLY 15 1HA GLY 15 -3.492 -1.966 0.470
80 2HA GLY 15 2HA GLY 15 -2.997 -3.548 -0.090
81 H CYS 16 H CYS 16 -0.397 -2.067 -1.146
82 HA CYS 16 HA CYS 16 1.465 -2.847 0.635
83 1HB CYS 16 2HB CYS 16 1.759 -0.371 -1.246
84 2HB CYS 16 1HB CYS 16 3.032 -1.514 -0.761
85 H LYS 17 H LYS 17 3.126 -1.828 1.769
86 HA LYS 17 HA LYS 17 2.341 0.379 3.710
87 1HB LYS 17 2HB LYS 17 4.706 -1.561 3.639
88 2HB LYS 17 1HB LYS 17 4.535 -0.246 4.803
89 1HG LYS 17 2HG LYS 17 2.318 -1.214 5.581
90 2HG LYS 17 1HG LYS 17 2.479 -2.501 4.399
91 1HD LYS 17 1HD LYS 17 3.109 -3.473 6.469
92 2HD LYS 17 2HD LYS 17 4.604 -3.300 5.559
93 1HE LYS 17 1HE LYS 17 5.169 -1.209 6.928
94 2HE LYS 17 2HE LYS 17 3.647 -1.387 7.813
95 1HZ LYS 17 1HZ LYS 17 4.435 -3.560 8.605
96 2HZ LYS 17 2HZ LYS 17 5.498 -2.365 9.019
97 3HZ LYS 17 3HZ LYS 17 5.853 -3.392 7.776
98 H VAL 18 H VAL 18 4.886 -0.575 1.603
99 HA VAL 18 HA VAL 18 5.366 2.250 0.698
100 HB VAL 18 HB VAL 18 7.018 1.987 2.502
101 1HG1 VAL 18 1HG1 VAL 18 9.037 0.571 2.369
102 2HG1 VAL 18 2HG1 VAL 18 8.467 -0.187 0.862
103 3HG1 VAL 18 3HG1 VAL 18 7.592 -0.457 2.387
104 1HG2 VAL 18 1HG2 VAL 18 7.472 3.543 0.618
105 2HG2 VAL 18 2HG2 VAL 18 8.975 2.895 1.305
106 3HG2 VAL 18 3HG2 VAL 18 8.363 2.268 -0.248
107 H GLY 19 H GLY 19 5.365 2.271 -1.418
108 1HA GLY 19 2HA GLY 19 6.216 1.572 -3.638
109 2HA GLY 19 1HA GLY 19 6.404 -0.074 -3.093
110 H ARG 20 H ARG 20 4.031 2.363 -3.966
111 HA ARG 20 HA ARG 20 1.833 0.299 -4.470
112 1HB ARG 20 1HB ARG 20 1.862 3.369 -4.229
113 2HB ARG 20 2HB ARG 20 0.483 2.409 -4.712
114 1HG ARG 20 1HG ARG 20 0.119 3.024 -2.520
115 2HG ARG 20 2HG ARG 20 0.364 1.295 -2.547
116 1HD ARG 20 1HD ARG 20 2.715 1.679 -1.585
117 2HD ARG 20 2HD ARG 20 2.511 3.423 -1.810
118 HE ARG 20 HE ARG 20 0.413 2.072 -0.128
119 1HH1 ARG 20 2HH2 ARG 20 3.335 4.100 -0.117
120 2HH1 ARG 20 1HH2 ARG 20 2.932 4.717 1.564
121 1HH2 ARG 20 1HH1 ARG 20 0.096 2.785 1.838
122 2HH2 ARG 20 2HH1 ARG 20 1.222 4.021 2.593
123 HA HYP 21 HA HYP 21 1.355 1.028 -8.979
124 1HB HYP 21 1HB HYP 21 -1.060 1.025 -9.463
125 2HB HYP 21 2HB HYP 21 -1.426 1.997 -8.031
126 1HD HYP 21 1HD HYP 21 0.630 -0.737 -6.160
127 2HD HYP 21 2HD HYP 21 -0.396 0.532 -5.478
128 HOD HYP 21 HOD HYP 21 0.353 -1.049 -8.593
129 HG HYP 21 HG HYP 21 -1.936 -0.138 -7.169
130 HA HYP 22 HA HYP 22 1.792 5.439 -10.102
131 1HB HYP 22 1HB HYP 22 -0.376 5.017 -12.231
132 2HB HYP 22 2HB HYP 22 1.200 5.805 -12.399
133 1HD HYP 22 1HD HYP 22 1.602 1.884 -11.034
134 2HD HYP 22 2HD HYP 22 -0.124 2.235 -11.331
135 HOD HYP 22 HOD HYP 22 2.994 3.998 -11.591
136 HG HYP 22 HG HYP 22 0.825 3.258 -13.273
137 H TYR 23 H TYR 23 -1.546 4.520 -9.526
138 HA TYR 23 HA TYR 23 -2.429 7.351 -8.984
139 1HB TYR 23 2HB TYR 23 -4.611 6.442 -8.434
140 2HB TYR 23 1HB TYR 23 -4.087 5.924 -9.998
141 HD1 TYR 23 HD1 TYR 23 -3.506 3.477 -10.417
142 HD2 TYR 23 HD2 TYR 23 -5.013 4.781 -6.602
143 HE1 TYR 23 HE1 TYR 23 -3.979 1.148 -9.799
144 HE2 TYR 23 HE2 TYR 23 -5.476 2.447 -5.996
145 HH TYR 23 HH TYR 23 -4.724 -0.232 -8.225
146 H CYS 24 H CYS 24 -1.150 4.717 -7.092
147 HA CYS 24 HA CYS 24 -2.085 5.945 -4.454
148 1HB CYS 24 2HB CYS 24 -1.569 3.026 -5.277
149 2HB CYS 24 1HB CYS 24 -1.295 3.424 -3.661
150 H ASP 25 H ASP 25 0.589 5.743 -6.383
151 HA ASP 25 HA ASP 25 2.378 6.716 -4.145
152 1HB ASP 25 1HB ASP 25 2.879 4.215 -4.707
153 2HB ASP 25 2HB ASP 25 3.425 4.739 -6.286
154 HD2 ASP 25 HD2 ASP 25 3.896 4.825 -2.950
155 H ARG 26 H ARG 26 1.741 6.653 -7.639
156 HA ARG 26 HA ARG 26 3.628 8.891 -8.283
157 1HB ARG 26 2HB ARG 26 2.741 7.116 -9.899
158 2HB ARG 26 1HB ARG 26 1.207 7.979 -9.895
159 1HG ARG 26 1HG ARG 26 2.505 8.742 -11.814
160 2HG ARG 26 2HG ARG 26 2.364 10.076 -10.669
161 1HD ARG 26 1HD ARG 26 4.706 9.525 -9.782
162 2HD ARG 26 2HD ARG 26 4.831 8.225 -10.978
163 HE ARG 26 HE ARG 26 4.188 10.654 -12.440
164 1HH1 ARG 26 1HH1 ARG 26 6.898 9.371 -10.527
165 2HH1 ARG 26 2HH1 ARG 26 8.079 10.406 -11.479
166 1HH2 ARG 26 2HH2 ARG 26 5.620 11.787 -13.456
167 2HH2 ARG 26 1HH2 ARG 26 7.400 11.680 -13.025
168 HA HYP 27 HA HYP 27 1.008 11.857 -6.041
169 1HB HYP 27 1HB HYP 27 1.824 14.083 -6.387
170 2HB HYP 27 2HB HYP 27 1.929 13.892 -8.145
171 1HD HYP 27 1HD HYP 27 4.128 10.759 -7.362
172 2HD HYP 27 2HD HYP 27 3.681 11.565 -8.891
173 HOD HYP 27 HOD HYP 27 3.216 12.049 -5.362
174 HG HYP 27 HG HYP 27 4.200 13.508 -7.595
175 H SER 28 H SER 28 -1.054 11.201 -6.339
176 HA SER 28 HA SER 28 -2.669 11.883 -8.681
177 1HB SER 28 1HB SER 28 -4.539 10.744 -7.535
178 2HB SER 28 2HB SER 28 -3.069 9.783 -7.592
179 HG SER 28 HG SER 28 -2.644 10.444 -5.438
180 H GLY 29 H GLY 29 -3.212 12.917 -5.246
181 1HA GLY 29 1HA GLY 29 -3.653 15.729 -5.873
182 2HA GLY 29 2HA GLY 29 -5.230 14.941 -5.939
183 H GLY 30 H GLY 30 -6.161 14.230 -4.020
184 1HA GLY 30 2HA GLY 30 -4.857 13.958 -1.419
185 2HA GLY 30 1HA GLY 30 -5.459 15.614 -1.527
186 1HN NH2 31 1HN NH2 31 -7.710 15.939 -1.348
187 2HN NH2 31 2HN NH2 31 -8.887 14.572 -1.012
Start of MODEL 8
1 1H GLY 1 1H GLY 1 6.311 -6.127 -7.394
2 2H GLY 1 2H GLY 1 4.948 -5.487 -8.028
3 1HA GLY 1 1HA GLY 1 7.031 -3.954 -6.568
4 2HA GLY 1 2HA GLY 1 5.571 -3.250 -7.257
5 H CYS 2 H CYS 2 3.653 -3.477 -6.139
6 HA CYS 2 HA CYS 2 3.776 -4.287 -3.294
7 1HB CYS 2 2HB CYS 2 2.660 -2.281 -3.633
8 2HB CYS 2 1HB CYS 2 1.683 -2.868 -5.025
9 H CYS 3 H CYS 3 0.855 -5.171 -5.239
10 HA CYS 3 HA CYS 3 1.215 -8.082 -4.440
11 1HB CYS 3 2HB CYS 3 -0.394 -6.083 -2.932
12 2HB CYS 3 1HB CYS 3 -1.444 -7.299 -3.634
13 H GLY 4 H GLY 4 -1.962 -6.816 -5.419
14 1HA GLY 4 2HA GLY 4 -2.775 -6.397 -7.640
15 2HA GLY 4 1HA GLY 4 -1.265 -6.911 -8.328
16 HA PRO 5 HA PRO 5 -4.337 -10.433 -9.111
17 1HB PRO 5 2HB PRO 5 -4.071 -10.547 -11.875
18 2HB PRO 5 1HB PRO 5 -5.180 -9.478 -11.011
19 1HG PRO 5 2HG PRO 5 -2.400 -8.791 -12.091
20 2HG PRO 5 1HG PRO 5 -3.924 -7.894 -12.313
21 1HD PRO 5 1HD PRO 5 -2.098 -7.179 -10.358
22 2HD PRO 5 2HD PRO 5 -3.848 -7.007 -10.063
23 H TYR 6 H TYR 6 -1.016 -10.195 -9.026
24 HA TYR 6 HA TYR 6 -0.399 -12.814 -10.399
25 1HB TYR 6 1HB TYR 6 1.480 -10.714 -9.173
26 2HB TYR 6 2HB TYR 6 2.016 -12.254 -9.772
27 HD1 TYR 6 HD1 TYR 6 1.988 -12.762 -12.230
28 HD2 TYR 6 HD2 TYR 6 0.628 -8.949 -10.765
29 HE1 TYR 6 HE1 TYR 6 2.098 -11.840 -14.504
30 HE2 TYR 6 HE2 TYR 6 0.737 -8.042 -13.044
31 HH TYR 6 HH TYR 6 1.785 -10.058 -15.793
32 HA HYP 7 HA HYP 7 0.672 -14.206 -5.745
33 1HB HYP 7 1HB HYP 7 -1.333 -12.323 -4.382
34 2HB HYP 7 2HB HYP 7 0.119 -13.070 -3.693
35 1HD HYP 7 1HD HYP 7 0.995 -10.819 -7.104
36 2HD HYP 7 2HD HYP 7 -0.735 -10.669 -6.714
37 HOD HYP 7 HOD HYP 7 2.319 -10.804 -5.217
38 HG HYP 7 HG HYP 7 0.178 -10.478 -4.519
39 H ASN 8 H ASN 8 -0.726 -15.496 -4.209
40 HA ASN 8 HA ASN 8 -2.443 -17.116 -5.924
41 1HB ASN 8 1HB ASN 8 -1.916 -17.405 -2.903
42 2HB ASN 8 2HB ASN 8 -2.813 -18.559 -3.857
43 1HD2 ASN 8 1HD2 ASN 8 0.322 -17.661 -2.901
44 2HD2 ASN 8 2HD2 ASN 8 1.214 -18.864 -3.963
45 H ALA 9 H ALA 9 -3.433 -15.433 -2.863
46 HA ALA 9 HA ALA 9 -6.332 -15.758 -3.679
47 1HB ALA 9 1HB ALA 9 -5.588 -16.425 -1.364
48 2HB ALA 9 2HB ALA 9 -5.101 -14.740 -1.040
49 3HB ALA 9 3HB ALA 9 -6.812 -15.146 -1.313
50 H ALA 10 H ALA 10 -4.994 -13.996 -5.303
51 HA ALA 10 HA ALA 10 -4.793 -11.772 -6.047
52 1HB ALA 10 1HB ALA 10 -7.834 -11.733 -5.671
53 2HB ALA 10 2HB ALA 10 -6.934 -12.399 -7.081
54 3HB ALA 10 3HB ALA 10 -6.858 -10.668 -6.712
55 H CYS 11 H CYS 11 -3.911 -11.675 -3.714
56 HA CYS 11 HA CYS 11 -4.480 -9.621 -1.921
57 1HB CYS 11 2HB CYS 11 -2.366 -10.973 -1.985
58 2HB CYS 11 1HB CYS 11 -1.774 -10.012 -3.348
59 H HIS 12 H HIS 12 -4.255 -7.263 -1.810
60 HA HIS 12 HA HIS 12 -5.404 -6.096 -4.267
61 1HB HIS 12 2HB HIS 12 -4.958 -4.907 -1.480
62 2HB HIS 12 1HB HIS 12 -5.732 -4.029 -2.767
63 HD1 HIS 12 HD1 HIS 12 -7.493 -4.275 -0.374
64 HD2 HIS 12 HD2 HIS 12 -7.275 -7.343 -3.387
65 HE1 HIS 12 HE1 HIS 12 -9.615 -5.731 -0.340
66 HE2 HIS 12 HE2 HIS 12 -9.584 -7.599 -2.114
67 HA HYP 13 HA HYP 13 -1.879 -3.846 -6.109
68 1HB HYP 13 1HB HYP 13 -3.958 -1.688 -6.703
69 2HB HYP 13 2HB HYP 13 -2.746 -2.388 -7.770
70 1HD HYP 13 1HD HYP 13 -5.088 -5.465 -6.332
71 2HD HYP 13 2HD HYP 13 -5.794 -3.976 -5.646
72 HOD HYP 13 HOD HYP 13 -3.792 -3.951 -9.138
73 HG HYP 13 HG HYP 13 -5.417 -3.112 -7.800
74 H CYS 14 H CYS 14 -4.060 -1.549 -4.377
75 HA CYS 14 HA CYS 14 -1.625 -0.196 -3.099
76 1HB CYS 14 1HB CYS 14 -2.744 1.457 -4.168
77 2HB CYS 14 2HB CYS 14 -4.400 0.792 -3.955
78 H GLY 15 H GLY 15 -2.517 -2.847 -2.223
79 1HA GLY 15 1HA GLY 15 -3.589 -2.384 0.563
80 2HA GLY 15 2HA GLY 15 -3.042 -3.899 -0.112
81 H CYS 16 H CYS 16 -0.598 -1.706 -0.729
82 HA CYS 16 HA CYS 16 1.195 -2.932 1.354
83 1HB CYS 16 2HB CYS 16 1.623 -1.306 -1.274
84 2HB CYS 16 1HB CYS 16 2.966 -1.918 -0.340
85 H LYS 17 H LYS 17 3.187 -1.186 1.558
86 HA LYS 17 HA LYS 17 2.156 1.349 2.949
87 1HB LYS 17 2HB LYS 17 4.527 -0.439 3.705
88 2HB LYS 17 1HB LYS 17 4.301 1.181 4.337
89 1HG LYS 17 2HG LYS 17 2.248 -1.092 4.656
90 2HG LYS 17 1HG LYS 17 3.493 -0.762 5.838
91 1HD LYS 17 1HD LYS 17 1.347 1.296 5.010
92 2HD LYS 17 2HD LYS 17 1.131 0.167 6.324
93 1HE LYS 17 1HE LYS 17 3.356 2.319 6.252
94 2HE LYS 17 2HE LYS 17 1.800 2.496 7.059
95 1HZ LYS 17 1HZ LYS 17 3.834 0.436 7.755
96 2HZ LYS 17 2HZ LYS 17 2.371 0.618 8.501
97 3HZ LYS 17 3HZ LYS 17 3.509 1.811 8.611
98 H VAL 18 H VAL 18 5.145 -0.040 2.048
99 HA VAL 18 HA VAL 18 5.974 2.420 0.438
100 HB VAL 18 HB VAL 18 7.512 1.818 2.235
101 1HG1 VAL 18 1HG2 VAL 18 9.033 -0.126 2.203
102 2HG1 VAL 18 2HG2 VAL 18 7.356 -0.696 2.299
103 3HG1 VAL 18 3HG2 VAL 18 8.236 -0.793 0.757
104 1HG2 VAL 18 1HG1 VAL 18 9.617 2.032 0.977
105 2HG2 VAL 18 2HG1 VAL 18 8.352 3.036 0.240
106 3HG2 VAL 18 3HG1 VAL 18 8.822 1.498 -0.526
107 H GLY 19 H GLY 19 5.934 2.318 -1.659
108 1HA GLY 19 2HA GLY 19 6.403 1.517 -3.855
109 2HA GLY 19 1HA GLY 19 6.727 -0.074 -3.228
110 H ARG 20 H ARG 20 3.660 1.856 -3.175
111 HA ARG 20 HA ARG 20 2.064 -0.288 -4.575
112 1HB ARG 20 1HB ARG 20 1.419 2.648 -3.943
113 2HB ARG 20 2HB ARG 20 0.392 1.506 -4.769
114 1HG ARG 20 1HG ARG 20 -0.594 1.405 -2.832
115 2HG ARG 20 2HG ARG 20 0.403 0.043 -2.683
116 1HD ARG 20 2HD ARG 20 1.906 1.202 -1.080
117 2HD ARG 20 1HD ARG 20 1.366 2.795 -1.635
118 HE ARG 20 HE ARG 20 -0.814 1.094 -0.468
119 1HH1 ARG 20 1HH1 ARG 20 1.483 3.732 0.172
120 2HH1 ARG 20 2HH1 ARG 20 0.426 4.338 1.545
121 1HH2 ARG 20 1HH2 ARG 20 -1.912 1.845 1.146
122 2HH2 ARG 20 2HH2 ARG 20 -1.364 3.340 2.056
123 HA HYP 21 HA HYP 21 1.535 1.390 -8.793
124 1HB HYP 21 1HB HYP 21 -0.877 1.543 -9.288
125 2HB HYP 21 2HB HYP 21 -1.234 2.245 -7.706
126 1HD HYP 21 1HD HYP 21 0.754 -0.883 -6.453
127 2HD HYP 21 2HD HYP 21 -0.211 0.208 -5.459
128 HOD HYP 21 HOD HYP 21 0.366 -0.736 -8.850
129 HG HYP 21 HG HYP 21 -1.828 0.035 -7.212
130 HA HYP 22 HA HYP 22 2.140 5.893 -8.971
131 1HB HYP 22 1HB HYP 22 1.620 6.760 -11.175
132 2HB HYP 22 2HB HYP 22 0.023 6.004 -11.203
133 1HD HYP 22 1HD HYP 22 0.123 3.124 -10.882
134 2HD HYP 22 2HD HYP 22 1.811 2.608 -10.612
135 HOD HYP 22 HOD HYP 22 3.307 3.776 -11.946
136 HG HYP 22 HG HYP 22 1.213 4.451 -12.549
137 H TYR 23 H TYR 23 -1.188 5.041 -8.442
138 HA TYR 23 HA TYR 23 -1.969 7.854 -7.659
139 1HB TYR 23 2HB TYR 23 -4.214 6.935 -7.206
140 2HB TYR 23 1HB TYR 23 -3.691 6.725 -8.841
141 HD1 TYR 23 HD1 TYR 23 -4.566 4.916 -5.708
142 HD2 TYR 23 HD2 TYR 23 -3.249 4.434 -9.776
143 HE1 TYR 23 HE1 TYR 23 -5.034 2.512 -5.583
144 HE2 TYR 23 HE2 TYR 23 -3.727 2.034 -9.642
145 HH TYR 23 HH TYR 23 -4.998 0.562 -6.648
146 H CYS 24 H CYS 24 -0.885 4.955 -6.060
147 HA CYS 24 HA CYS 24 -1.743 5.977 -3.311
148 1HB CYS 24 2HB CYS 24 -1.298 3.087 -4.325
149 2HB CYS 24 1HB CYS 24 -1.180 3.433 -2.665
150 H ASP 25 H ASP 25 0.911 5.713 -5.282
151 HA ASP 25 HA ASP 25 2.805 6.284 -2.991
152 1HB ASP 25 1HB ASP 25 2.948 3.782 -3.642
153 2HB ASP 25 2HB ASP 25 3.549 4.270 -5.214
154 HD2 ASP 25 HD2 ASP 25 5.825 4.535 -1.850
155 H ARG 26 H ARG 26 2.224 6.522 -6.488
156 HA ARG 26 HA ARG 26 4.431 8.465 -7.003
157 1HB ARG 26 2HB ARG 26 3.212 6.971 -8.697
158 2HB ARG 26 1HB ARG 26 1.863 8.099 -8.608
159 1HG ARG 26 2HG ARG 26 3.245 8.713 -10.517
160 2HG ARG 26 1HG ARG 26 3.370 9.988 -9.306
161 1HD ARG 26 2HD ARG 26 5.587 8.970 -8.509
162 2HD ARG 26 1HD ARG 26 5.451 7.737 -9.774
163 HE ARG 26 HE ARG 26 5.239 10.319 -11.093
164 1HH1 ARG 26 1HH1 ARG 26 7.702 8.468 -9.316
165 2HH1 ARG 26 2HH1 ARG 26 9.034 9.324 -10.243
166 1HH2 ARG 26 2HH2 ARG 26 6.835 11.230 -12.086
167 2HH2 ARG 26 1HH2 ARG 26 8.573 10.781 -11.705
168 HA HYP 27 HA HYP 27 2.444 11.765 -4.604
169 1HB HYP 27 1HB HYP 27 3.576 13.688 -6.711
170 2HB HYP 27 2HB HYP 27 3.596 13.839 -4.948
171 1HD HYP 27 1HD HYP 27 5.281 10.228 -6.162
172 2HD HYP 27 2HD HYP 27 4.867 11.180 -7.615
173 HOD HYP 27 HOD HYP 27 4.671 11.558 -4.052
174 HG HYP 27 HG HYP 27 5.783 12.930 -6.280
175 H SER 28 H SER 28 0.293 11.477 -4.795
176 HA SER 28 HA SER 28 -1.293 12.498 -7.064
177 1HB SER 28 1HB SER 28 -3.193 11.368 -6.016
178 2HB SER 28 2HB SER 28 -1.801 10.318 -6.243
179 HG SER 28 HG SER 28 -1.279 10.663 -4.037
180 H GLY 29 H GLY 29 -0.963 14.873 -6.805
181 1HA GLY 29 1HA GLY 29 -3.143 16.201 -5.334
182 2HA GLY 29 2HA GLY 29 -1.627 16.384 -4.451
183 H GLY 30 H GLY 30 -3.411 17.334 -7.246
184 1HA GLY 30 2HA GLY 30 -1.898 19.819 -7.647
185 2HA GLY 30 1HA GLY 30 -1.338 18.643 -8.836
186 1HN NH2 31 1HN NH2 31 -4.995 20.389 -9.429
187 2HN NH2 31 2HN NH2 31 -3.957 20.749 -7.961
Start of MODEL 9
1 1H GLY 1 1H GLY 1 6.568 -7.116 -3.995
2 2H GLY 1 2H GLY 1 7.818 -6.553 -4.887
3 1HA GLY 1 1HA GLY 1 6.750 -4.423 -5.231
4 2HA GLY 1 2HA GLY 1 5.784 -5.762 -5.844
5 H CYS 2 H CYS 2 3.885 -6.338 -4.704
6 HA CYS 2 HA CYS 2 3.061 -5.117 -2.197
7 1HB CYS 2 2HB CYS 2 2.589 -3.083 -3.191
8 2HB CYS 2 1HB CYS 2 1.734 -3.777 -4.610
9 H CYS 3 H CYS 3 2.490 -7.406 -1.662
10 HA CYS 3 HA CYS 3 -0.186 -8.225 -2.742
11 1HB CYS 3 2HB CYS 3 2.257 -10.127 -2.664
12 2HB CYS 3 1HB CYS 3 0.570 -10.660 -2.675
13 H GLY 4 H GLY 4 0.157 -6.742 -0.671
14 1HA GLY 4 1HA GLY 4 -0.837 -6.736 1.601
15 2HA GLY 4 2HA GLY 4 -0.388 -8.434 1.767
16 HA PRO 5 HA PRO 5 3.247 -6.008 3.630
17 1HB PRO 5 2HB PRO 5 3.053 -6.871 6.242
18 2HB PRO 5 1HB PRO 5 2.179 -5.481 5.588
19 1HG PRO 5 2HG PRO 5 1.119 -8.296 6.057
20 2HG PRO 5 1HG PRO 5 0.335 -6.739 6.413
21 1HD PRO 5 1HD PRO 5 -0.147 -8.298 4.107
22 2HD PRO 5 2HD PRO 5 -0.461 -6.541 4.154
23 H TYR 6 H TYR 6 2.281 -9.265 3.205
24 HA TYR 6 HA TYR 6 5.030 -10.406 3.411
25 1HB TYR 6 1HB TYR 6 2.864 -11.456 5.348
26 2HB TYR 6 2HB TYR 6 4.328 -12.306 4.967
27 HD1 TYR 6 HD1 TYR 6 2.895 -9.744 7.094
28 HD2 TYR 6 HD2 TYR 6 6.627 -11.212 5.533
29 HE1 TYR 6 HE1 TYR 6 4.108 -8.569 8.874
30 HE2 TYR 6 HE2 TYR 6 7.829 -10.033 7.322
31 HH TYR 6 HH TYR 6 7.664 -8.725 9.110
32 HA HYP 7 HA HYP 7 2.378 -13.949 1.616
33 1HB HYP 7 1HB HYP 7 0.375 -14.040 2.763
34 2HB HYP 7 2HB HYP 7 -0.338 -13.850 1.161
35 1HD HYP 7 1HD HYP 7 0.928 -10.221 2.751
36 2HD HYP 7 2HD HYP 7 1.043 -11.469 4.027
37 HOD HYP 7 HOD HYP 7 -0.902 -12.634 4.015
38 HG HYP 7 HG HYP 7 -0.590 -11.437 1.450
39 H ASN 8 H ASN 8 0.509 -14.209 -0.498
40 HA ASN 8 HA ASN 8 1.700 -12.726 -2.824
41 1HB ASN 8 2HB ASN 8 2.143 -15.765 -2.548
42 2HB ASN 8 1HB ASN 8 2.276 -14.899 -4.058
43 1HD2 ASN 8 2HD2 ASN 8 4.010 -13.330 -4.308
44 2HD2 ASN 8 1HD2 ASN 8 5.513 -13.486 -3.267
45 H ALA 9 H ALA 9 -0.322 -15.598 -1.955
46 HA ALA 9 HA ALA 9 -2.284 -15.215 -4.118
47 1HB ALA 9 1HB ALA 9 -2.608 -16.706 -1.434
48 2HB ALA 9 2HB ALA 9 -1.995 -17.401 -2.958
49 3HB ALA 9 3HB ALA 9 -3.675 -16.850 -2.852
50 H ALA 10 H ALA 10 -2.031 -13.581 -1.012
51 HA ALA 10 HA ALA 10 -4.827 -12.361 -1.307
52 1HB ALA 10 1HB ALA 10 -4.486 -11.445 0.969
53 2HB ALA 10 2HB ALA 10 -4.285 -13.209 0.977
54 3HB ALA 10 3HB ALA 10 -2.857 -12.143 1.048
55 H CYS 11 H CYS 11 -2.975 -11.778 -3.254
56 HA CYS 11 HA CYS 11 -1.728 -9.213 -2.929
57 1HB CYS 11 2HB CYS 11 -1.419 -11.032 -4.846
58 2HB CYS 11 1HB CYS 11 -2.626 -10.090 -5.725
59 H HIS 12 H HIS 12 -2.562 -7.264 -2.714
60 HA HIS 12 HA HIS 12 -4.999 -6.400 -4.343
61 1HB HIS 12 2HB HIS 12 -4.575 -5.581 -1.408
62 2HB HIS 12 1HB HIS 12 -5.622 -4.760 -2.517
63 HD1 HIS 12 HD1 HIS 12 -7.904 -6.167 -3.384
64 HD2 HIS 12 HD2 HIS 12 -5.398 -7.978 -0.396
65 HE1 HIS 12 HE1 HIS 12 -9.122 -8.140 -2.260
66 HE2 HIS 12 HE2 HIS 12 -7.702 -9.298 -0.447
67 HA HYP 13 HA HYP 13 -1.599 -3.825 -5.918
68 1HB HYP 13 1HB HYP 13 -3.888 -1.973 -6.768
69 2HB HYP 13 2HB HYP 13 -2.452 -2.451 -7.684
70 1HD HYP 13 1HD HYP 13 -4.517 -5.820 -6.372
71 2HD HYP 13 2HD HYP 13 -5.472 -4.380 -5.914
72 HOD HYP 13 HOD HYP 13 -2.851 -4.345 -8.992
73 HG HYP 13 HG HYP 13 -4.844 -3.690 -8.104
74 H CYS 14 H CYS 14 -4.076 -1.700 -4.326
75 HA CYS 14 HA CYS 14 -1.790 -0.225 -2.932
76 1HB CYS 14 1HB CYS 14 -2.590 1.478 -4.180
77 2HB CYS 14 2HB CYS 14 -4.286 0.887 -4.269
78 H GLY 15 H GLY 15 -2.280 -2.467 -1.864
79 1HA GLY 15 1HA GLY 15 -3.794 -1.788 0.719
80 2HA GLY 15 2HA GLY 15 -3.442 -3.411 0.174
81 H CYS 16 H CYS 16 -0.648 -1.912 -0.565
82 HA CYS 16 HA CYS 16 0.784 -3.054 1.791
83 1HB CYS 16 2HB CYS 16 1.728 -1.908 -0.924
84 2HB CYS 16 1HB CYS 16 2.760 -2.850 0.128
85 H LYS 17 H LYS 17 2.507 -0.421 0.386
86 HA LYS 17 HA LYS 17 1.938 1.845 2.120
87 1HB LYS 17 1HB LYS 17 2.329 -0.147 3.741
88 2HB LYS 17 2HB LYS 17 4.008 -0.121 3.225
89 1HG LYS 17 1HG LYS 17 3.799 1.181 5.272
90 2HG LYS 17 2HG LYS 17 4.204 2.294 3.965
91 1HD LYS 17 1HD LYS 17 1.788 2.980 3.767
92 2HD LYS 17 2HD LYS 17 1.332 1.811 5.011
93 1HE LYS 17 2HE LYS 17 2.750 3.047 6.717
94 2HE LYS 17 1HE LYS 17 3.216 4.224 5.479
95 1HZ LYS 17 1HZ LYS 17 0.860 4.823 5.245
96 2HZ LYS 17 2HZ LYS 17 0.425 3.724 6.401
97 3HZ LYS 17 3HZ LYS 17 1.363 5.022 6.806
98 H VAL 18 H VAL 18 4.825 0.057 1.909
99 HA VAL 18 HA VAL 18 6.237 2.192 0.235
100 HB VAL 18 HB VAL 18 7.323 1.690 2.347
101 1HG1 VAL 18 1HG1 VAL 18 7.970 -1.169 1.383
102 2HG1 VAL 18 2HG1 VAL 18 6.828 -0.758 2.684
103 3HG1 VAL 18 3HG1 VAL 18 8.550 -0.382 2.870
104 1HG2 VAL 18 1HG2 VAL 18 9.637 1.494 1.519
105 2HG2 VAL 18 2HG2 VAL 18 9.065 0.837 -0.037
106 3HG2 VAL 18 3HG2 VAL 18 8.672 2.509 0.429
107 H GLY 19 H GLY 19 6.277 1.834 -1.840
108 1HA GLY 19 2HA GLY 19 6.609 0.645 -3.960
109 2HA GLY 19 1HA GLY 19 6.636 -0.895 -3.124
110 H ARG 20 H ARG 20 4.584 1.584 -4.466
111 HA ARG 20 HA ARG 20 2.207 -0.254 -4.709
112 1HB ARG 20 1HB ARG 20 2.429 0.607 -2.357
113 2HB ARG 20 2HB ARG 20 2.191 2.261 -2.935
114 1HG ARG 20 2HG ARG 20 0.019 1.922 -3.634
115 2HG ARG 20 1HG ARG 20 0.130 0.200 -3.669
116 1HD ARG 20 2HD ARG 20 -1.210 0.797 -1.750
117 2HD ARG 20 1HD ARG 20 0.285 0.086 -1.157
118 HE ARG 20 HE ARG 20 0.778 2.893 -1.069
119 1HH1 ARG 20 1HH2 ARG 20 -1.680 0.757 0.362
120 2HH1 ARG 20 2HH2 ARG 20 -1.905 1.926 1.757
121 1HH2 ARG 20 1HH1 ARG 20 0.435 4.153 0.561
122 2HH2 ARG 20 2HH1 ARG 20 -0.786 3.720 1.860
123 HA HYP 21 HA HYP 21 1.235 1.816 -8.524
124 1HB HYP 21 1HB HYP 21 -1.214 1.954 -8.805
125 2HB HYP 21 2HB HYP 21 -1.449 2.429 -7.115
126 1HD HYP 21 1HD HYP 21 0.834 -0.682 -6.464
127 2HD HYP 21 2HD HYP 21 -0.127 0.206 -5.268
128 HOD HYP 21 HOD HYP 21 -0.660 -1.399 -8.077
129 HG HYP 21 HG HYP 21 -1.868 0.124 -6.883
130 HA HYP 22 HA HYP 22 1.831 6.308 -8.685
131 1HB HYP 22 1HB HYP 22 1.097 7.169 -10.821
132 2HB HYP 22 2HB HYP 22 -0.441 6.301 -10.759
133 1HD HYP 22 1HD HYP 22 -0.107 3.414 -10.485
134 2HD HYP 22 2HD HYP 22 1.628 3.055 -10.266
135 HOD HYP 22 HOD HYP 22 2.782 5.890 -11.870
136 HG HYP 22 HG HYP 22 0.783 4.840 -12.179
137 H TYR 23 H TYR 23 -1.608 5.459 -8.376
138 HA TYR 23 HA TYR 23 -2.428 8.141 -7.357
139 1HB TYR 23 1HB TYR 23 -4.642 7.139 -6.998
140 2HB TYR 23 2HB TYR 23 -4.069 6.884 -8.610
141 HD1 TYR 23 HD1 TYR 23 -3.389 4.536 -9.383
142 HD2 TYR 23 HD2 TYR 23 -5.090 5.195 -5.485
143 HE1 TYR 23 HE1 TYR 23 -3.790 2.120 -9.137
144 HE2 TYR 23 HE2 TYR 23 -5.482 2.775 -5.259
145 HH TYR 23 HH TYR 23 -4.556 0.502 -7.840
146 H CYS 24 H CYS 24 -1.158 5.334 -5.854
147 HA CYS 24 HA CYS 24 -2.112 6.099 -3.067
148 1HB CYS 24 2HB CYS 24 -1.321 3.383 -4.325
149 2HB CYS 24 1HB CYS 24 -1.325 3.561 -2.620
150 H ASP 25 H ASP 25 0.574 6.054 -5.048
151 HA ASP 25 HA ASP 25 2.528 6.449 -2.747
152 1HB ASP 25 2HB ASP 25 3.211 4.817 -4.602
153 2HB ASP 25 1HB ASP 25 3.219 6.140 -5.751
154 HD2 ASP 25 HD2 ASP 25 4.757 7.570 -5.646
155 H ARG 26 H ARG 26 1.045 8.086 -5.525
156 HA ARG 26 HA ARG 26 2.376 10.738 -4.991
157 1HB ARG 26 2HB ARG 26 -0.100 9.952 -6.628
158 2HB ARG 26 1HB ARG 26 0.433 11.617 -6.411
159 1HG ARG 26 1HG ARG 26 2.731 10.994 -7.342
160 2HG ARG 26 2HG ARG 26 2.149 9.359 -7.598
161 1HD ARG 26 2HD ARG 26 2.025 10.405 -9.735
162 2HD ARG 26 1HD ARG 26 0.353 10.265 -9.192
163 HE ARG 26 HE ARG 26 1.375 12.919 -8.438
164 1HH1 ARG 26 1HH1 ARG 26 0.421 11.120 -11.354
165 2HH1 ARG 26 2HH1 ARG 26 0.009 12.693 -12.206
166 1HH2 ARG 26 1HH2 ARG 26 0.875 14.645 -9.504
167 2HH2 ARG 26 2HH2 ARG 26 0.249 14.553 -11.226
168 HA HYP 27 HA HYP 27 0.007 11.730 -1.390
169 1HB HYP 27 1HB HYP 27 -0.361 14.494 -1.449
170 2HB HYP 27 2HB HYP 27 1.178 13.663 -1.189
171 1HD HYP 27 1HD HYP 27 1.314 13.149 -5.060
172 2HD HYP 27 2HD HYP 27 2.427 12.796 -3.705
173 HOD HYP 27 HOD HYP 27 2.627 14.762 -2.550
174 HG HYP 27 HG HYP 27 0.082 14.777 -3.824
175 H SER 28 H SER 28 -1.836 10.555 -1.661
176 HA SER 28 HA SER 28 -4.200 11.447 -3.062
177 1HB SER 28 2HB SER 28 -3.579 9.058 -2.711
178 2HB SER 28 1HB SER 28 -3.974 9.184 -0.992
179 HG SER 28 HG SER 28 -5.718 9.684 -3.180
180 H GLY 29 H GLY 29 -4.025 10.941 0.529
181 1HA GLY 29 2HA GLY 29 -5.166 13.530 1.241
182 2HA GLY 29 1HA GLY 29 -6.514 12.404 1.083
183 H GLY 30 H GLY 30 -6.761 10.798 2.627
184 1HA GLY 30 2HA GLY 30 -5.310 11.181 5.270
185 2HA GLY 30 1HA GLY 30 -6.805 10.304 5.024
186 1HN NH2 31 1HN NH2 31 -5.101 7.149 4.558
187 2HN NH2 31 2HN NH2 31 -6.687 8.070 4.604
Start of MODEL 10
1 1H GLY 1 1H GLY 1 2.319 -1.446 -7.411
2 2H GLY 1 2H GLY 1 3.319 -1.240 -8.687
3 1HA GLY 1 2HA GLY 1 2.973 -3.571 -8.362
4 2HA GLY 1 1HA GLY 1 4.659 -3.146 -8.080
5 H CYS 2 H CYS 2 1.879 -4.513 -6.704
6 HA CYS 2 HA CYS 2 3.274 -4.892 -4.002
7 1HB CYS 2 2HB CYS 2 1.588 -3.012 -3.818
8 2HB CYS 2 1HB CYS 2 0.308 -4.148 -4.278
9 H CYS 3 H CYS 3 0.000 -6.054 -4.846
10 HA CYS 3 HA CYS 3 1.143 -8.750 -5.589
11 1HB CYS 3 2HB CYS 3 -1.165 -8.981 -3.659
12 2HB CYS 3 1HB CYS 3 0.103 -10.113 -4.059
13 H GLY 4 H GLY 4 -2.328 -7.506 -4.961
14 1HA GLY 4 2HA GLY 4 -3.666 -6.901 -6.998
15 2HA GLY 4 1HA GLY 4 -2.820 -8.091 -7.945
16 HA PRO 5 HA PRO 5 -6.841 -9.885 -6.121
17 1HB PRO 5 1HB PRO 5 -8.379 -10.164 -8.391
18 2HB PRO 5 2HB PRO 5 -8.224 -8.667 -7.459
19 1HG PRO 5 2HG PRO 5 -6.714 -9.431 -10.008
20 2HG PRO 5 1HG PRO 5 -7.555 -7.904 -9.635
21 1HD PRO 5 1HD PRO 5 -4.804 -8.214 -9.294
22 2HD PRO 5 2HD PRO 5 -5.762 -7.140 -8.228
23 H TYR 6 H TYR 6 -5.270 -11.522 -5.706
24 HA TYR 6 HA TYR 6 -5.510 -14.040 -7.453
25 1HB TYR 6 1HB TYR 6 -3.094 -13.104 -5.785
26 2HB TYR 6 2HB TYR 6 -3.233 -14.662 -6.552
27 HD1 TYR 6 HD1 TYR 6 -2.378 -11.157 -7.113
28 HD2 TYR 6 HD2 TYR 6 -3.451 -14.799 -9.142
29 HE1 TYR 6 HE1 TYR 6 -1.558 -10.228 -9.234
30 HE2 TYR 6 HE2 TYR 6 -2.607 -13.862 -11.250
31 HH TYR 6 HH TYR 6 -1.680 -12.114 -12.256
32 HA HYP 7 HA HYP 7 -7.515 -14.945 -3.415
33 1HB HYP 7 1HB HYP 7 -9.354 -15.506 -4.636
34 2HB HYP 7 2HB HYP 7 -9.014 -17.138 -4.039
35 1HD HYP 7 1HD HYP 7 -7.766 -14.828 -7.040
36 2HD HYP 7 2HD HYP 7 -6.558 -16.127 -7.282
37 HOD HYP 7 HOD HYP 7 -10.052 -17.369 -6.512
38 HG HYP 7 HG HYP 7 -7.837 -17.741 -6.100
39 H ASN 8 H ASN 8 -5.619 -15.324 -2.297
40 HA ASN 8 HA ASN 8 -5.998 -17.924 -0.900
41 1HB ASN 8 2HB ASN 8 -3.919 -18.423 -2.279
42 2HB ASN 8 1HB ASN 8 -3.099 -17.058 -1.558
43 1HD2 ASN 8 1HD2 ASN 8 -4.375 -20.286 -0.946
44 2HD2 ASN 8 2HD2 ASN 8 -3.448 -20.544 0.616
45 H ALA 9 H ALA 9 -3.787 -15.154 -0.762
46 HA ALA 9 HA ALA 9 -4.983 -14.144 1.870
47 1HB ALA 9 1HB ALA 9 -2.455 -13.191 0.389
48 2HB ALA 9 2HB ALA 9 -2.490 -14.273 1.807
49 3HB ALA 9 3HB ALA 9 -3.051 -12.598 1.957
50 H ALA 10 H ALA 10 -4.699 -13.367 -1.534
51 HA ALA 10 HA ALA 10 -5.267 -11.522 -2.869
52 1HB ALA 10 1HB ALA 10 -7.795 -11.346 -1.147
53 2HB ALA 10 2HB ALA 10 -7.536 -10.668 -2.776
54 3HB ALA 10 3HB ALA 10 -7.535 -12.427 -2.566
55 H CYS 11 H CYS 11 -3.480 -10.872 -1.093
56 HA CYS 11 HA CYS 11 -3.636 -8.173 -0.059
57 1HB CYS 11 2HB CYS 11 -1.572 -9.167 0.411
58 2HB CYS 11 1HB CYS 11 -1.385 -9.892 -1.182
59 H HIS 12 H HIS 12 -3.819 -6.188 -1.010
60 HA HIS 12 HA HIS 12 -4.840 -6.156 -3.836
61 1HB HIS 12 1HB HIS 12 -4.988 -4.335 -1.362
62 2HB HIS 12 2HB HIS 12 -5.274 -3.594 -2.880
63 HD1 HIS 12 HD1 HIS 12 -7.708 -3.900 -3.942
64 HD2 HIS 12 HD2 HIS 12 -6.684 -6.655 -0.803
65 HE1 HIS 12 HE1 HIS 12 -9.763 -5.297 -3.261
66 HE2 HIS 12 HE2 HIS 12 -9.255 -6.982 -1.377
67 HA HYP 13 HA HYP 13 -1.555 -3.814 -6.006
68 1HB HYP 13 1HB HYP 13 -3.672 -1.761 -6.796
69 2HB HYP 13 2HB HYP 13 -2.495 -2.598 -7.796
70 1HD HYP 13 1HD HYP 13 -5.473 -3.854 -5.358
71 2HD HYP 13 2HD HYP 13 -4.912 -5.430 -5.930
72 HOD HYP 13 HOD HYP 13 -3.041 -5.151 -7.688
73 HG HYP 13 HG HYP 13 -5.185 -3.292 -7.671
74 H CYS 14 H CYS 14 -3.897 -1.524 -4.545
75 HA CYS 14 HA CYS 14 -1.684 -0.014 -3.079
76 1HB CYS 14 1HB CYS 14 -3.030 1.483 -4.152
77 2HB CYS 14 2HB CYS 14 -4.590 0.627 -3.874
78 H GLY 15 H GLY 15 -2.577 -2.938 -2.421
79 1HA GLY 15 2HA GLY 15 -3.626 -2.810 0.321
80 2HA GLY 15 1HA GLY 15 -2.744 -4.131 -0.410
81 H CYS 16 H CYS 16 -0.398 -2.496 -1.066
82 HA CYS 16 HA CYS 16 1.362 -2.875 1.233
83 1HB CYS 16 1HB CYS 16 1.482 -1.568 -1.579
84 2HB CYS 16 2HB CYS 16 2.817 -1.321 -0.551
85 H LYS 17 H LYS 17 2.955 -1.110 1.701
86 HA LYS 17 HA LYS 17 1.694 1.559 2.539
87 1HB LYS 17 2HB LYS 17 4.074 0.034 3.725
88 2HB LYS 17 1HB LYS 17 3.631 1.693 4.137
89 1HG LYS 17 1HG LYS 17 1.338 0.893 4.894
90 2HG LYS 17 2HG LYS 17 1.784 -0.748 4.461
91 1HD LYS 17 1HD LYS 17 2.026 -0.651 6.814
92 2HD LYS 17 2HD LYS 17 3.668 -0.681 6.187
93 1HE LYS 17 1HE LYS 17 3.828 1.850 6.551
94 2HE LYS 17 2HE LYS 17 2.167 1.860 7.159
95 1HZ LYS 17 1HZ LYS 17 3.772 1.756 8.961
96 2HZ LYS 17 2HZ LYS 17 2.880 0.364 8.953
97 3HZ LYS 17 3HZ LYS 17 4.431 0.355 8.383
98 H VAL 18 H VAL 18 4.774 0.166 2.038
99 HA VAL 18 HA VAL 18 5.662 2.341 0.078
100 HB VAL 18 HB VAL 18 7.078 2.209 2.089
101 1HG1 VAL 18 1HG2 VAL 18 7.043 -0.247 2.634
102 2HG1 VAL 18 2HG2 VAL 18 8.030 -0.588 1.193
103 3HG1 VAL 18 3HG2 VAL 18 8.696 0.387 2.526
104 1HG2 VAL 18 1HG1 VAL 18 9.260 2.321 0.965
105 2HG2 VAL 18 2HG1 VAL 18 8.623 1.454 -0.456
106 3HG2 VAL 18 3HG1 VAL 18 8.011 3.075 -0.046
107 H GLY 19 H GLY 19 6.116 1.770 -1.957
108 1HA GLY 19 1HA GLY 19 6.523 0.340 -3.909
109 2HA GLY 19 2HA GLY 19 6.388 -1.100 -2.916
110 H ARG 20 H ARG 20 4.527 1.505 -4.420
111 HA ARG 20 HA ARG 20 2.068 -0.252 -4.756
112 1HB ARG 20 1HB ARG 20 2.387 0.823 -2.427
113 2HB ARG 20 2HB ARG 20 2.101 2.399 -3.183
114 1HG ARG 20 2HG ARG 20 -0.079 1.897 -3.810
115 2HG ARG 20 1HG ARG 20 0.104 0.187 -3.574
116 1HD ARG 20 1HD ARG 20 -1.266 1.177 -1.783
117 2HD ARG 20 2HD ARG 20 0.139 0.326 -1.171
118 HE ARG 20 HE ARG 20 1.139 2.892 -1.102
119 1HH1 ARG 20 1HH1 ARG 20 -2.039 1.721 -0.013
120 2HH1 ARG 20 2HH1 ARG 20 -2.067 2.996 1.307
121 1HH2 ARG 20 1HH2 ARG 20 1.003 4.284 0.442
122 2HH2 ARG 20 2HH2 ARG 20 -0.462 4.346 1.545
123 HA HYP 21 HA HYP 21 1.283 1.924 -8.621
124 1HB HYP 21 1HB HYP 21 -1.144 2.006 -9.007
125 2HB HYP 21 2HB HYP 21 -1.472 2.440 -7.322
126 1HD HYP 21 1HD HYP 21 0.775 -0.668 -6.561
127 2HD HYP 21 2HD HYP 21 -0.237 0.252 -5.441
128 HOD HYP 21 HOD HYP 21 0.328 -0.194 -8.937
129 HG HYP 21 HG HYP 21 -1.872 0.124 -7.164
130 HA HYP 22 HA HYP 22 1.841 6.390 -8.413
131 1HB HYP 22 1HB HYP 22 1.301 7.413 -10.538
132 2HB HYP 22 2HB HYP 22 -0.272 6.606 -10.640
133 1HD HYP 22 1HD HYP 22 1.634 3.261 -10.275
134 2HD HYP 22 2HD HYP 22 -0.072 3.703 -10.543
135 HOD HYP 22 HOD HYP 22 3.065 5.414 -10.163
136 HG HYP 22 HG HYP 22 0.978 5.205 -12.084
137 H TYR 23 H TYR 23 -1.574 5.529 -8.246
138 HA TYR 23 HA TYR 23 -2.425 8.193 -7.184
139 1HB TYR 23 2HB TYR 23 -4.666 7.169 -6.923
140 2HB TYR 23 1HB TYR 23 -4.053 7.045 -8.536
141 HD1 TYR 23 HD1 TYR 23 -4.990 5.081 -5.510
142 HD2 TYR 23 HD2 TYR 23 -3.468 4.802 -9.525
143 HE1 TYR 23 HE1 TYR 23 -5.306 2.645 -5.470
144 HE2 TYR 23 HE2 TYR 23 -3.804 2.372 -9.478
145 HH TYR 23 HH TYR 23 -4.457 0.618 -8.276
146 H CYS 24 H CYS 24 -1.309 5.259 -5.767
147 HA CYS 24 HA CYS 24 -2.308 5.997 -2.982
148 1HB CYS 24 2HB CYS 24 -1.579 3.283 -4.283
149 2HB CYS 24 1HB CYS 24 -1.532 3.431 -2.595
150 H ASP 25 H ASP 25 0.440 5.865 -4.878
151 HA ASP 25 HA ASP 25 2.357 6.126 -2.520
152 1HB ASP 25 2HB ASP 25 2.970 4.439 -4.334
153 2HB ASP 25 1HB ASP 25 3.116 5.747 -5.492
154 HD2 ASP 25 HD2 ASP 25 4.746 7.071 -5.327
155 H ARG 26 H ARG 26 1.048 7.823 -5.351
156 HA ARG 26 HA ARG 26 2.534 10.367 -4.927
157 1HB ARG 26 1HB ARG 26 1.500 9.723 -7.096
158 2HB ARG 26 2HB ARG 26 -0.104 9.810 -6.375
159 1HG ARG 26 1HG ARG 26 0.139 11.887 -7.527
160 2HG ARG 26 2HG ARG 26 0.341 12.276 -5.835
161 1HD ARG 26 1HD ARG 26 2.033 13.534 -6.894
162 2HD ARG 26 2HD ARG 26 2.926 12.176 -6.211
163 HE ARG 26 HE ARG 26 2.173 11.529 -8.983
164 1HH1 ARG 26 2HH2 ARG 26 4.404 13.656 -7.210
165 2HH1 ARG 26 1HH2 ARG 26 5.547 13.677 -8.645
166 1HH2 ARG 26 2HH1 ARG 26 3.546 11.623 -10.554
167 2HH2 ARG 26 1HH1 ARG 26 5.092 12.602 -10.411
168 HA HYP 27 HA HYP 27 0.505 11.319 -1.013
169 1HB HYP 27 1HB HYP 27 0.474 14.237 -1.966
170 2HB HYP 27 2HB HYP 27 0.932 13.587 -0.380
171 1HD HYP 27 1HD HYP 27 2.131 13.012 -4.142
172 2HD HYP 27 2HD HYP 27 3.101 11.719 -3.387
173 HOD HYP 27 HOD HYP 27 2.760 11.711 -0.860
174 HG HYP 27 HG HYP 27 2.838 14.209 -2.215
175 H SER 28 H SER 28 -1.440 10.514 -0.836
176 HA SER 28 HA SER 28 -3.785 11.363 -2.327
177 1HB SER 28 2HB SER 28 -3.549 9.348 -0.031
178 2HB SER 28 1HB SER 28 -4.979 9.588 -1.039
179 HG SER 28 HG SER 28 -3.641 7.943 -1.800
180 H GLY 29 H GLY 29 -4.472 13.561 -1.699
181 1HA GLY 29 2HA GLY 29 -6.212 13.798 0.641
182 2HA GLY 29 1HA GLY 29 -4.658 14.542 1.016
183 H GLY 30 H GLY 30 -4.103 16.451 -0.020
184 1HA GLY 30 1HA GLY 30 -6.354 18.035 -1.324
185 2HA GLY 30 2HA GLY 30 -4.872 18.681 -0.655
186 1HN NH2 31 1HN NH2 31 -6.338 17.440 -3.541
187 2HN NH2 31 2HN NH2 31 -4.891 17.723 -4.633
Start of MODEL 11
1 1H GLY 1 1H GLY 1 1.704 -1.637 -9.041
2 2H GLY 1 2H GLY 1 2.583 -2.451 -10.153
3 1HA GLY 1 1HA GLY 1 -0.003 -3.390 -9.026
4 2HA GLY 1 2HA GLY 1 0.959 -4.263 -10.214
5 H CYS 2 H CYS 2 0.646 -3.443 -6.881
6 HA CYS 2 HA CYS 2 3.344 -4.487 -6.059
7 1HB CYS 2 2HB CYS 2 2.311 -2.476 -4.916
8 2HB CYS 2 1HB CYS 2 1.046 -3.525 -4.276
9 H CYS 3 H CYS 3 0.003 -5.411 -5.045
10 HA CYS 3 HA CYS 3 1.080 -8.183 -4.288
11 1HB CYS 3 2HB CYS 3 0.145 -6.231 -2.548
12 2HB CYS 3 1HB CYS 3 -1.332 -7.120 -2.862
13 H GLY 4 H GLY 4 -2.508 -7.327 -4.559
14 1HA GLY 4 1HA GLY 4 -3.826 -7.532 -6.569
15 2HA GLY 4 2HA GLY 4 -2.501 -8.276 -7.415
16 HA PRO 5 HA PRO 5 -5.758 -11.524 -6.284
17 1HB PRO 5 2HB PRO 5 -6.389 -12.445 -8.802
18 2HB PRO 5 1HB PRO 5 -7.008 -10.935 -8.125
19 1HG PRO 5 2HG PRO 5 -4.620 -11.279 -10.015
20 2HG PRO 5 1HG PRO 5 -6.003 -10.165 -10.176
21 1HD PRO 5 2HD PRO 5 -3.572 -9.374 -9.066
22 2HD PRO 5 1HD PRO 5 -5.120 -8.671 -8.518
23 H TYR 6 H TYR 6 -2.616 -11.823 -6.874
24 HA TYR 6 HA TYR 6 -2.506 -14.787 -7.546
25 1HB TYR 6 2HB TYR 6 -0.206 -12.776 -7.212
26 2HB TYR 6 1HB TYR 6 0.011 -14.483 -7.471
27 HD1 TYR 6 HD1 TYR 6 -0.534 -15.532 -9.687
28 HD2 TYR 6 HD2 TYR 6 -1.083 -11.307 -9.067
29 HE1 TYR 6 HE1 TYR 6 -0.717 -15.190 -12.113
30 HE2 TYR 6 HE2 TYR 6 -1.269 -10.982 -11.493
31 HH TYR 6 HH TYR 6 -1.251 -11.946 -13.494
32 HA HYP 7 HA HYP 7 -0.967 -15.143 -2.935
33 1HB HYP 7 1HB HYP 7 0.277 -13.398 -2.140
34 2HB HYP 7 2HB HYP 7 -1.161 -12.913 -1.231
35 1HD HYP 7 1HD HYP 7 0.160 -12.490 -4.944
36 2HD HYP 7 2HD HYP 7 -1.419 -11.707 -5.228
37 HOD HYP 7 HOD HYP 7 0.103 -10.246 -3.524
38 HG HYP 7 HG HYP 7 -1.831 -11.317 -2.939
39 H ASN 8 H ASN 8 -2.184 -15.131 -0.752
40 HA ASN 8 HA ASN 8 -4.657 -16.406 -1.655
41 1HB ASN 8 1HB ASN 8 -2.960 -17.417 -0.076
42 2HB ASN 8 2HB ASN 8 -3.462 -16.308 1.178
43 1HD2 ASN 8 2HD2 ASN 8 -4.458 -19.081 -0.769
44 2HD2 ASN 8 1HD2 ASN 8 -5.816 -19.593 0.354
45 H ALA 9 H ALA 9 -4.337 -14.087 1.128
46 HA ALA 9 HA ALA 9 -7.341 -13.824 1.121
47 1HB ALA 9 1HB ALA 9 -5.257 -12.885 3.192
48 2HB ALA 9 2HB ALA 9 -6.132 -14.439 3.234
49 3HB ALA 9 3HB ALA 9 -7.022 -12.916 3.421
50 H ALA 10 H ALA 10 -6.633 -12.682 -0.985
51 HA ALA 10 HA ALA 10 -6.394 -10.759 -2.307
52 1HB ALA 10 1HB ALA 10 -8.751 -9.684 -0.676
53 2HB ALA 10 2HB ALA 10 -8.837 -10.789 -2.098
54 3HB ALA 10 3HB ALA 10 -8.202 -9.148 -2.287
55 H CYS 11 H CYS 11 -4.419 -10.644 -0.813
56 HA CYS 11 HA CYS 11 -3.828 -7.990 0.362
57 1HB CYS 11 2HB CYS 11 -2.322 -9.919 0.701
58 2HB CYS 11 1HB CYS 11 -2.019 -10.085 -1.031
59 H HIS 12 H HIS 12 -4.064 -6.118 -0.776
60 HA HIS 12 HA HIS 12 -4.566 -6.243 -3.745
61 1HB HIS 12 2HB HIS 12 -5.190 -4.168 -1.557
62 2HB HIS 12 1HB HIS 12 -5.405 -3.775 -3.230
63 HD1 HIS 12 HD1 HIS 12 -7.212 -5.455 -4.704
64 HD2 HIS 12 HD2 HIS 12 -7.215 -5.507 -0.408
65 HE1 HIS 12 HE1 HIS 12 -9.419 -6.443 -3.817
66 HE2 HIS 12 HE2 HIS 12 -9.528 -6.509 -1.242
67 HA HYP 13 HA HYP 13 -0.991 -3.847 -5.285
68 1HB HYP 13 1HB HYP 13 -1.523 -2.940 -7.393
69 2HB HYP 13 2HB HYP 13 -2.941 -2.069 -6.796
70 1HD HYP 13 1HD HYP 13 -4.352 -5.582 -5.775
71 2HD HYP 13 2HD HYP 13 -4.906 -3.908 -5.588
72 HOD HYP 13 HOD HYP 13 -2.152 -4.942 -8.400
73 HG HYP 13 HG HYP 13 -4.069 -3.843 -7.851
74 H CYS 14 H CYS 14 -3.712 -1.604 -4.472
75 HA CYS 14 HA CYS 14 -1.874 0.333 -3.064
76 1HB CYS 14 1HB CYS 14 -3.541 1.394 -4.206
77 2HB CYS 14 2HB CYS 14 -4.896 0.311 -3.688
78 H GLY 15 H GLY 15 -3.093 -2.750 -2.254
79 1HA GLY 15 1HA GLY 15 -3.732 -2.357 0.578
80 2HA GLY 15 2HA GLY 15 -3.203 -3.858 -0.163
81 H CYS 16 H CYS 16 -0.688 -2.640 -1.226
82 HA CYS 16 HA CYS 16 1.258 -2.981 0.928
83 1HB CYS 16 1HB CYS 16 1.373 -1.708 -1.902
84 2HB CYS 16 2HB CYS 16 2.786 -1.819 -0.885
85 H LYS 17 H LYS 17 2.255 -1.551 2.188
86 HA LYS 17 HA LYS 17 1.480 1.407 2.236
87 1HB LYS 17 2HB LYS 17 2.954 -0.369 4.256
88 2HB LYS 17 1HB LYS 17 2.873 1.383 4.358
89 1HG LYS 17 2HG LYS 17 0.301 1.191 4.257
90 2HG LYS 17 1HG LYS 17 0.459 -0.548 4.426
91 1HD LYS 17 2HD LYS 17 1.490 1.530 6.493
92 2HD LYS 17 1HD LYS 17 -0.090 0.791 6.526
93 1HE LYS 17 2HE LYS 17 1.122 -0.427 8.136
94 2HE LYS 17 1HE LYS 17 0.990 -1.526 6.766
95 1HZ LYS 17 1HZ LYS 17 3.288 -0.908 6.156
96 2HZ LYS 17 2HZ LYS 17 3.222 -1.507 7.695
97 3HZ LYS 17 3HZ LYS 17 3.388 0.118 7.447
98 H VAL 18 H VAL 18 3.925 -0.447 0.911
99 HA VAL 18 HA VAL 18 5.690 1.957 0.537
100 HB VAL 18 HB VAL 18 6.554 1.022 2.617
101 1HG1 VAL 18 1HG1 VAL 18 7.753 -1.110 2.858
102 2HG1 VAL 18 2HG1 VAL 18 7.379 -1.578 1.183
103 3HG1 VAL 18 3HG1 VAL 18 6.076 -1.436 2.386
104 1HG2 VAL 18 1HG2 VAL 18 8.101 2.220 1.089
105 2HG2 VAL 18 2HG2 VAL 18 8.955 0.997 2.052
106 3HG2 VAL 18 3HG2 VAL 18 8.585 0.679 0.338
107 H GLY 19 H GLY 19 5.908 2.046 -1.561
108 1HA GLY 19 2HA GLY 19 6.612 1.414 -3.779
109 2HA GLY 19 1HA GLY 19 6.940 -0.208 -3.217
110 H ARG 20 H ARG 20 4.390 1.959 -4.295
111 HA ARG 20 HA ARG 20 2.799 -0.314 -5.517
112 1HB ARG 20 2HB ARG 20 0.763 0.332 -4.380
113 2HB ARG 20 1HB ARG 20 1.971 -0.274 -3.270
114 1HG ARG 20 2HG ARG 20 1.105 2.664 -3.625
115 2HG ARG 20 1HG ARG 20 0.498 1.498 -2.445
116 1HD ARG 20 1HD ARG 20 2.891 1.290 -1.498
117 2HD ARG 20 2HD ARG 20 3.329 2.663 -2.535
118 HE ARG 20 HE ARG 20 0.913 3.106 -0.800
119 1HH1 ARG 20 1HH2 ARG 20 4.439 3.539 -1.016
120 2HH1 ARG 20 2HH2 ARG 20 4.388 4.790 0.324
121 1HH2 ARG 20 2HH1 ARG 20 0.981 4.534 0.742
122 2HH2 ARG 20 1HH1 ARG 20 2.563 5.314 1.249
123 HA HYP 21 HA HYP 21 1.005 1.962 -8.819
124 1HB HYP 21 1HB HYP 21 -1.449 1.971 -8.780
125 2HB HYP 21 2HB HYP 21 -1.500 2.306 -7.044
126 1HD HYP 21 1HD HYP 21 1.077 -0.685 -7.203
127 2HD HYP 21 2HD HYP 21 0.330 -0.198 -5.684
128 HOD HYP 21 HOD HYP 21 -1.731 -0.300 -9.097
129 HG HYP 21 HG HYP 21 -1.733 0.009 -6.843
130 HA HYP 22 HA HYP 22 1.593 6.399 -8.443
131 1HB HYP 22 1HB HYP 22 0.865 7.518 -10.462
132 2HB HYP 22 2HB HYP 22 -0.703 6.702 -10.469
133 1HD HYP 22 1HD HYP 22 -0.452 3.778 -10.518
134 2HD HYP 22 2HD HYP 22 1.280 3.361 -10.402
135 HOD HYP 22 HOD HYP 22 2.677 5.534 -10.329
136 HG HYP 22 HG HYP 22 0.434 5.366 -12.069
137 H TYR 23 H TYR 23 -1.863 5.626 -8.206
138 HA TYR 23 HA TYR 23 -2.599 8.191 -6.896
139 1HB TYR 23 2HB TYR 23 -4.836 7.200 -6.630
140 2HB TYR 23 1HB TYR 23 -4.273 7.076 -8.262
141 HD1 TYR 23 HD1 TYR 23 -5.337 5.147 -5.301
142 HD2 TYR 23 HD2 TYR 23 -3.565 4.780 -9.206
143 HE1 TYR 23 HE1 TYR 23 -5.666 2.710 -5.236
144 HE2 TYR 23 HE2 TYR 23 -3.902 2.349 -9.122
145 HH TYR 23 HH TYR 23 -5.376 0.780 -6.282
146 H CYS 24 H CYS 24 -1.434 5.195 -5.679
147 HA CYS 24 HA CYS 24 -2.397 5.738 -2.838
148 1HB CYS 24 2HB CYS 24 -1.907 3.131 -4.384
149 2HB CYS 24 1HB CYS 24 -1.711 3.066 -2.682
150 H ASP 25 H ASP 25 0.309 5.771 -4.770
151 HA ASP 25 HA ASP 25 2.254 5.765 -2.421
152 1HB ASP 25 2HB ASP 25 2.800 4.367 -4.525
153 2HB ASP 25 1HB ASP 25 2.994 5.859 -5.419
154 HD2 ASP 25 HD2 ASP 25 4.581 7.219 -4.765
155 H ARG 26 H ARG 26 0.721 7.837 -4.798
156 HA ARG 26 HA ARG 26 2.212 10.334 -4.279
157 1HB ARG 26 1HB ARG 26 0.879 10.014 -6.237
158 2HB ARG 26 2HB ARG 26 -0.566 9.592 -5.316
159 1HG ARG 26 1HG ARG 26 -0.797 11.969 -4.547
160 2HG ARG 26 2HG ARG 26 0.712 12.385 -5.351
161 1HD ARG 26 1HD ARG 26 -1.117 13.118 -6.775
162 2HD ARG 26 2HD ARG 26 -0.272 11.803 -7.593
163 HE ARG 26 HE ARG 26 -2.591 10.733 -6.098
164 1HH1 ARG 26 2HH2 ARG 26 -1.822 12.539 -9.062
165 2HH1 ARG 26 1HH2 ARG 26 -3.369 11.939 -9.846
166 1HH2 ARG 26 1HH1 ARG 26 -4.322 10.112 -7.086
167 2HH2 ARG 26 2HH1 ARG 26 -4.688 10.658 -8.799
168 HA HYP 27 HA HYP 27 0.991 11.377 -0.110
169 1HB HYP 27 1HB HYP 27 0.124 14.145 -1.113
170 2HB HYP 27 2HB HYP 27 1.122 13.734 0.291
171 1HD HYP 27 1HD HYP 27 2.703 12.102 -3.203
172 2HD HYP 27 2HD HYP 27 1.275 13.080 -3.630
173 HOD HYP 27 HOD HYP 27 3.400 13.712 -0.242
174 HG HYP 27 HG HYP 27 2.270 14.551 -2.034
175 H SER 28 H SER 28 -0.710 10.160 0.488
176 HA SER 28 HA SER 28 -3.484 10.660 -0.230
177 1HB SER 28 1HB SER 28 -2.542 8.409 0.118
178 2HB SER 28 2HB SER 28 -2.326 8.724 1.845
179 HG SER 28 HG SER 28 -4.588 9.106 1.953
180 H GLY 29 H GLY 29 -4.200 12.771 0.635
181 1HA GLY 29 2HA GLY 29 -5.204 12.792 3.387
182 2HA GLY 29 1HA GLY 29 -3.719 13.742 3.310
183 H GLY 30 H GLY 30 -3.764 15.713 2.245
184 1HA GLY 30 2HA GLY 30 -5.826 16.694 0.421
185 2HA GLY 30 1HA GLY 30 -6.312 17.160 2.053
186 1HN NH2 31 1HN NH2 31 -5.161 18.852 3.060
187 2HN NH2 31 2HN NH2 31 -3.828 19.787 2.215
Start of MODEL 12
1 1H GLY 1 1H GLY 1 7.206 -7.019 -6.169
2 2H GLY 1 2H GLY 1 6.381 -6.067 -5.127
3 1HA GLY 1 1HA GLY 1 5.011 -7.907 -5.899
4 2HA GLY 1 2HA GLY 1 6.222 -9.027 -5.278
5 H CYS 2 H CYS 2 3.607 -6.935 -4.452
6 HA CYS 2 HA CYS 2 3.927 -7.307 -1.455
7 1HB CYS 2 2HB CYS 2 3.383 -5.044 -2.427
8 2HB CYS 2 1HB CYS 2 1.813 -5.654 -2.966
9 H CYS 3 H CYS 3 0.848 -7.457 -3.278
10 HA CYS 3 HA CYS 3 0.655 -10.419 -3.003
11 1HB CYS 3 2HB CYS 3 -0.181 -9.780 -0.757
12 2HB CYS 3 1HB CYS 3 -1.431 -8.760 -1.465
13 H GLY 4 H GLY 4 -1.917 -7.900 -3.443
14 1HA GLY 4 1HA GLY 4 -2.188 -6.905 -5.753
15 2HA GLY 4 2HA GLY 4 -1.737 -8.420 -6.489
16 HA PRO 5 HA PRO 5 -6.415 -7.717 -6.293
17 1HB PRO 5 1HB PRO 5 -7.080 -7.645 -8.968
18 2HB PRO 5 2HB PRO 5 -6.337 -6.314 -8.085
19 1HG PRO 5 2HG PRO 5 -4.920 -8.398 -9.829
20 2HG PRO 5 1HG PRO 5 -4.771 -6.623 -9.895
21 1HD PRO 5 2HD PRO 5 -2.946 -8.180 -8.492
22 2HD PRO 5 1HD PRO 5 -3.414 -6.563 -7.902
23 H TYR 6 H TYR 6 -5.876 -9.996 -5.382
24 HA TYR 6 HA TYR 6 -8.246 -11.580 -6.383
25 1HB TYR 6 1HB TYR 6 -5.566 -13.001 -5.793
26 2HB TYR 6 2HB TYR 6 -7.110 -13.798 -5.843
27 HD1 TYR 6 HD1 TYR 6 -4.371 -12.520 -7.895
28 HD2 TYR 6 HD2 TYR 6 -8.464 -13.841 -8.051
29 HE1 TYR 6 HE1 TYR 6 -4.182 -12.839 -10.322
30 HE2 TYR 6 HE2 TYR 6 -8.262 -14.155 -10.479
31 HH TYR 6 HH TYR 6 -6.939 -14.012 -12.257
32 HA HYP 7 HA HYP 7 -7.992 -9.948 -2.004
33 1HB HYP 7 1HB HYP 7 -11.004 -10.444 -2.147
34 2HB HYP 7 2HB HYP 7 -10.114 -9.104 -1.395
35 1HD HYP 7 1HD HYP 7 -9.099 -9.559 -5.439
36 2HD HYP 7 2HD HYP 7 -10.361 -10.743 -5.012
37 HOD HYP 7 HOD HYP 7 -9.829 -7.317 -2.910
38 HG HYP 7 HG HYP 7 -11.237 -8.826 -3.876
39 H ASN 8 H ASN 8 -7.435 -10.998 -0.265
40 HA ASN 8 HA ASN 8 -9.041 -13.328 0.816
41 1HB ASN 8 1HB ASN 8 -6.003 -13.569 0.307
42 2HB ASN 8 2HB ASN 8 -6.896 -14.614 1.384
43 1HD2 ASN 8 2HD2 ASN 8 -8.484 -16.082 0.462
44 2HD2 ASN 8 1HD2 ASN 8 -8.338 -16.569 -1.302
45 H ALA 9 H ALA 9 -5.855 -12.047 1.814
46 HA ALA 9 HA ALA 9 -7.108 -11.094 4.437
47 1HB ALA 9 1HB ALA 9 -4.154 -11.662 3.783
48 2HB ALA 9 2HB ALA 9 -4.795 -11.101 5.346
49 3HB ALA 9 3HB ALA 9 -5.260 -12.697 4.722
50 H ALA 10 H ALA 10 -4.183 -9.694 3.041
51 HA ALA 10 HA ALA 10 -5.652 -7.024 2.546
52 1HB ALA 10 1HB ALA 10 -2.657 -7.491 3.162
53 2HB ALA 10 2HB ALA 10 -3.452 -5.926 2.910
54 3HB ALA 10 3HB ALA 10 -3.868 -6.899 4.341
55 H CYS 11 H CYS 11 -5.765 -9.072 0.583
56 HA CYS 11 HA CYS 11 -3.509 -8.639 -1.317
57 1HB CYS 11 2HB CYS 11 -4.741 -10.906 -0.759
58 2HB CYS 11 1HB CYS 11 -5.828 -10.411 -2.059
59 H HIS 12 H HIS 12 -3.563 -6.701 -2.084
60 HA HIS 12 HA HIS 12 -5.779 -5.711 -3.924
61 1HB HIS 12 1HB HIS 12 -4.667 -4.291 -1.394
62 2HB HIS 12 2HB HIS 12 -5.460 -3.391 -2.639
63 HD1 HIS 12 HD1 HIS 12 -8.209 -4.261 -3.174
64 HD2 HIS 12 HD2 HIS 12 -6.224 -5.298 0.495
65 HE1 HIS 12 HE1 HIS 12 -9.928 -4.963 -1.386
66 HE2 HIS 12 HE2 HIS 12 -8.837 -5.607 0.859
67 HA HYP 13 HA HYP 13 -2.194 -4.063 -6.346
68 1HB HYP 13 1HB HYP 13 -3.842 -1.514 -6.629
69 2HB HYP 13 2HB HYP 13 -2.933 -2.395 -7.845
70 1HD HYP 13 1HD HYP 13 -5.934 -3.336 -5.319
71 2HD HYP 13 2HD HYP 13 -5.727 -4.948 -6.060
72 HOD HYP 13 HOD HYP 13 -3.942 -4.843 -7.914
73 HG HYP 13 HG HYP 13 -5.685 -2.628 -7.582
74 H CYS 14 H CYS 14 -3.650 -1.511 -4.237
75 HA CYS 14 HA CYS 14 -0.876 -0.968 -3.108
76 1HB CYS 14 2HB CYS 14 -1.716 1.047 -4.304
77 2HB CYS 14 1HB CYS 14 -3.101 1.170 -3.247
78 H GLY 15 H GLY 15 -1.892 -3.076 -2.195
79 1HA GLY 15 2HA GLY 15 -3.435 -2.772 0.364
80 2HA GLY 15 1HA GLY 15 -2.528 -4.191 -0.146
81 H CYS 16 H CYS 16 -0.130 -2.727 -0.756
82 HA CYS 16 HA CYS 16 1.374 -2.604 1.831
83 1HB CYS 16 1HB CYS 16 1.985 -2.428 -1.190
84 2HB CYS 16 2HB CYS 16 3.111 -1.646 -0.140
85 H LYS 17 H LYS 17 2.433 -0.838 2.602
86 HA LYS 17 HA LYS 17 1.478 1.982 1.863
87 1HB LYS 17 1HB LYS 17 2.931 0.861 4.310
88 2HB LYS 17 2HB LYS 17 2.668 2.581 4.015
89 1HG LYS 17 1HG LYS 17 0.165 2.180 3.901
90 2HG LYS 17 2HG LYS 17 0.425 0.474 4.267
91 1HD LYS 17 2HD LYS 17 1.481 1.091 6.473
92 2HD LYS 17 1HD LYS 17 1.269 2.801 6.136
93 1HE LYS 17 1HE LYS 17 -1.053 0.767 6.424
94 2HE LYS 17 2HE LYS 17 -0.444 1.786 7.726
95 1HZ LYS 17 1HZ LYS 17 -1.076 3.755 6.438
96 2HZ LYS 17 2HZ LYS 17 -1.654 2.816 5.208
97 3HZ LYS 17 3HZ LYS 17 -2.381 2.772 6.690
98 H VAL 18 H VAL 18 4.023 -0.005 1.048
99 HA VAL 18 HA VAL 18 5.754 2.318 0.255
100 HB VAL 18 HB VAL 18 6.580 1.795 2.497
101 1HG1 VAL 18 1HG1 VAL 18 7.806 -0.242 3.140
102 2HG1 VAL 18 2HG1 VAL 18 7.466 -1.009 1.571
103 3HG1 VAL 18 3HG1 VAL 18 6.141 -0.671 2.709
104 1HG2 VAL 18 1HG2 VAL 18 8.146 2.721 0.808
105 2HG2 VAL 18 2HG2 VAL 18 8.667 1.079 0.358
106 3HG2 VAL 18 3HG2 VAL 18 8.994 1.709 1.993
107 H GLY 19 H GLY 19 6.128 2.005 -1.803
108 1HA GLY 19 2HA GLY 19 6.752 0.902 -3.884
109 2HA GLY 19 1HA GLY 19 6.878 -0.634 -3.051
110 H ARG 20 H ARG 20 4.537 1.726 -4.256
111 HA ARG 20 HA ARG 20 2.582 -0.397 -5.163
112 1HB ARG 20 2HB ARG 20 0.854 0.241 -3.703
113 2HB ARG 20 1HB ARG 20 2.242 -0.124 -2.726
114 1HG ARG 20 2HG ARG 20 1.027 2.621 -3.353
115 2HG ARG 20 1HG ARG 20 0.916 1.654 -1.871
116 1HD ARG 20 2HD ARG 20 3.415 1.935 -1.517
117 2HD ARG 20 1HD ARG 20 3.453 3.038 -2.910
118 HE ARG 20 HE ARG 20 1.391 3.882 -0.970
119 1HH1 ARG 20 2HH1 ARG 20 4.913 3.949 -1.458
120 2HH1 ARG 20 1HH1 ARG 20 5.057 5.423 -0.375
121 1HH2 ARG 20 2HH2 ARG 20 1.673 5.572 0.248
122 2HH2 ARG 20 1HH2 ARG 20 3.343 6.279 0.526
123 HA HYP 21 HA HYP 21 0.989 1.895 -8.449
124 1HB HYP 21 1HB HYP 21 -1.463 2.020 -8.521
125 2HB HYP 21 2HB HYP 21 -1.569 2.422 -6.799
126 1HD HYP 21 1HD HYP 21 0.033 -0.014 -5.214
127 2HD HYP 21 2HD HYP 21 0.820 -0.686 -6.602
128 HOD HYP 21 HOD HYP 21 -1.717 -0.257 -8.816
129 HG HYP 21 HG HYP 21 -1.931 0.128 -6.586
130 HA HYP 22 HA HYP 22 1.570 6.390 -8.366
131 1HB HYP 22 1HB HYP 22 0.923 7.316 -10.490
132 2HB HYP 22 2HB HYP 22 -0.630 6.473 -10.508
133 1HD HYP 22 1HD HYP 22 -0.341 3.571 -10.309
134 2HD HYP 22 2HD HYP 22 1.389 3.181 -10.099
135 HOD HYP 22 HOD HYP 22 2.604 6.060 -11.560
136 HG HYP 22 HG HYP 22 0.601 5.042 -11.944
137 H TYR 23 H TYR 23 -1.902 5.547 -8.317
138 HA TYR 23 HA TYR 23 -2.822 8.156 -7.253
139 1HB TYR 23 1HB TYR 23 -5.017 7.062 -6.966
140 2HB TYR 23 2HB TYR 23 -4.379 6.863 -8.562
141 HD1 TYR 23 HD1 TYR 23 -5.166 5.042 -5.384
142 HD2 TYR 23 HD2 TYR 23 -3.791 4.600 -9.438
143 HE1 TYR 23 HE1 TYR 23 -5.384 2.603 -5.201
144 HE2 TYR 23 HE2 TYR 23 -4.039 2.167 -9.251
145 HH TYR 23 HH TYR 23 -4.595 0.461 -7.938
146 H CYS 24 H CYS 24 -1.547 5.338 -5.699
147 HA CYS 24 HA CYS 24 -2.793 5.876 -3.014
148 1HB CYS 24 1HB CYS 24 -2.683 3.567 -4.007
149 2HB CYS 24 2HB CYS 24 -0.938 3.613 -4.052
150 H ASP 25 H ASP 25 0.113 6.429 -4.624
151 HA ASP 25 HA ASP 25 1.609 7.341 -2.125
152 1HB ASP 25 2HB ASP 25 2.890 5.838 -3.710
153 2HB ASP 25 1HB ASP 25 2.672 6.996 -5.007
154 HD2 ASP 25 HD2 ASP 25 5.154 7.943 -1.902
155 H ARG 26 H ARG 26 -0.020 8.479 -5.028
156 HA ARG 26 HA ARG 26 0.738 11.350 -4.824
157 1HB ARG 26 1HB ARG 26 -0.061 10.350 -6.871
158 2HB ARG 26 2HB ARG 26 -1.564 9.811 -6.124
159 1HG ARG 26 1HG ARG 26 -2.323 12.201 -5.898
160 2HG ARG 26 2HG ARG 26 -0.772 12.756 -6.515
161 1HD ARG 26 1HD ARG 26 -2.359 12.888 -8.338
162 2HD ARG 26 2HD ARG 26 -1.205 11.610 -8.725
163 HE ARG 26 HE ARG 26 -3.590 10.438 -7.429
164 1HH1 ARG 26 2HH1 ARG 26 -2.565 11.835 -10.534
165 2HH1 ARG 26 1HH1 ARG 26 -3.863 10.877 -11.409
166 1HH2 ARG 26 2HH2 ARG 26 -5.029 9.397 -8.526
167 2HH2 ARG 26 1HH2 ARG 26 -5.163 9.590 -10.346
168 HA HYP 27 HA HYP 27 -1.492 12.541 -1.137
169 1HB HYP 27 1HB HYP 27 -2.737 14.849 -2.734
170 2HB HYP 27 2HB HYP 27 -1.994 14.885 -1.127
171 1HD HYP 27 1HD HYP 27 0.623 13.279 -3.939
172 2HD HYP 27 2HD HYP 27 -0.852 13.811 -4.790
173 HOD HYP 27 HOD HYP 27 1.279 14.798 -2.349
174 HG HYP 27 HG HYP 27 -0.591 15.670 -3.318
175 H SER 28 H SER 28 -2.956 11.017 -0.632
176 HA SER 28 HA SER 28 -5.578 10.717 -1.862
177 1HB SER 28 2HB SER 28 -5.940 8.889 -0.279
178 2HB SER 28 1HB SER 28 -4.394 8.779 -1.110
179 HG SER 28 HG SER 28 -4.233 8.356 1.101
180 H GLY 29 H GLY 29 -6.800 12.744 -1.509
181 1HA GLY 29 2HA GLY 29 -8.424 12.817 0.948
182 2HA GLY 29 1HA GLY 29 -7.171 14.057 1.015
183 H GLY 30 H GLY 30 -10.121 13.088 -0.482
184 1HA GLY 30 1HA GLY 30 -10.179 15.352 -2.508
185 2HA GLY 30 2HA GLY 30 -11.365 14.077 -2.342
186 1HN NH2 31 1HN NH2 31 -13.443 16.033 -0.121
187 2HN NH2 31 2HN NH2 31 -13.162 14.442 -0.991
Start of MODEL 13
1 1H GLY 1 1H GLY 1 8.652 -9.534 -1.757
2 2H GLY 1 2H GLY 1 7.665 -9.782 -0.478
3 1HA GLY 1 2HA GLY 1 8.365 -7.482 -0.581
4 2HA GLY 1 1HA GLY 1 7.705 -7.367 -2.210
5 H CYS 2 H CYS 2 5.456 -7.212 -2.467
6 HA CYS 2 HA CYS 2 3.759 -6.760 0.056
7 1HB CYS 2 2HB CYS 2 4.256 -4.675 -1.175
8 2HB CYS 2 1HB CYS 2 3.684 -5.353 -2.705
9 H CYS 3 H CYS 3 1.956 -6.857 -2.754
10 HA CYS 3 HA CYS 3 1.828 -9.746 -3.173
11 1HB CYS 3 1HB CYS 3 0.344 -9.750 -1.106
12 2HB CYS 3 2HB CYS 3 -0.748 -8.651 -1.931
13 H GLY 4 H GLY 4 -0.807 -7.267 -3.593
14 1HA GLY 4 1HA GLY 4 -0.737 -5.864 -5.736
15 2HA GLY 4 2HA GLY 4 -0.110 -7.241 -6.603
16 HA PRO 5 HA PRO 5 -4.806 -6.911 -7.093
17 1HB PRO 5 1HB PRO 5 -5.016 -6.616 -9.821
18 2HB PRO 5 2HB PRO 5 -4.602 -5.305 -8.708
19 1HG PRO 5 1HG PRO 5 -2.680 -7.020 -10.349
20 2HG PRO 5 2HG PRO 5 -2.715 -5.242 -10.227
21 1HD PRO 5 1HD PRO 5 -1.004 -6.803 -8.684
22 2HD PRO 5 2HD PRO 5 -1.696 -5.288 -8.032
23 H TYR 6 H TYR 6 -4.674 -9.021 -6.257
24 HA TYR 6 HA TYR 6 -5.456 -11.219 -8.234
25 1HB TYR 6 1HB TYR 6 -3.594 -11.627 -5.797
26 2HB TYR 6 2HB TYR 6 -4.170 -12.879 -6.846
27 HD1 TYR 6 HD1 TYR 6 -1.597 -10.325 -6.418
28 HD2 TYR 6 HD2 TYR 6 -3.415 -12.920 -9.332
29 HE1 TYR 6 HE1 TYR 6 0.322 -10.003 -7.907
30 HE2 TYR 6 HE2 TYR 6 -1.479 -12.595 -10.812
31 HH TYR 6 HH TYR 6 0.487 -11.601 -11.092
32 HA HYP 7 HA HYP 7 -8.833 -11.643 -5.223
33 1HB HYP 7 1HB HYP 7 -9.962 -12.693 -6.923
34 2HB HYP 7 2HB HYP 7 -9.924 -14.077 -5.810
35 1HD HYP 7 1HD HYP 7 -7.439 -12.478 -8.512
36 2HD HYP 7 2HD HYP 7 -6.275 -13.653 -7.832
37 HOD HYP 7 HOD HYP 7 -9.779 -15.017 -8.340
38 HG HYP 7 HG HYP 7 -7.981 -15.042 -6.936
39 H ASN 8 H ASN 8 -7.579 -11.556 -3.344
40 HA ASN 8 HA ASN 8 -7.978 -13.854 -1.564
41 1HB ASN 8 2HB ASN 8 -5.070 -12.873 -1.973
42 2HB ASN 8 1HB ASN 8 -5.565 -13.716 -0.534
43 1HD2 ASN 8 1HD2 ASN 8 -6.312 -15.960 -0.754
44 2HD2 ASN 8 2HD2 ASN 8 -5.633 -16.959 -2.137
45 H ALA 9 H ALA 9 -7.696 -13.146 0.719
46 HA ALA 9 HA ALA 9 -8.926 -10.624 1.217
47 1HB ALA 9 1HB ALA 9 -9.116 -12.578 2.731
48 2HB ALA 9 2HB ALA 9 -8.605 -11.137 3.636
49 3HB ALA 9 3HB ALA 9 -7.412 -12.398 3.227
50 H ALA 10 H ALA 10 -5.474 -11.316 1.939
51 HA ALA 10 HA ALA 10 -4.848 -8.447 2.521
52 1HB ALA 10 1HB ALA 10 -2.454 -9.140 2.504
53 2HB ALA 10 2HB ALA 10 -2.880 -10.732 1.851
54 3HB ALA 10 3HB ALA 10 -3.405 -10.265 3.496
55 H CYS 11 H CYS 11 -4.622 -10.470 -0.326
56 HA CYS 11 HA CYS 11 -2.776 -8.860 -1.781
57 1HB CYS 11 2HB CYS 11 -3.486 -11.366 -2.129
58 2HB CYS 11 1HB CYS 11 -4.669 -10.731 -3.285
59 H HIS 12 H HIS 12 -3.100 -6.858 -2.178
60 HA HIS 12 HA HIS 12 -5.362 -5.913 -3.975
61 1HB HIS 12 1HB HIS 12 -4.556 -4.625 -1.271
62 2HB HIS 12 2HB HIS 12 -5.499 -3.791 -2.470
63 HD1 HIS 12 HD1 HIS 12 -8.024 -5.071 -3.138
64 HD2 HIS 12 HD2 HIS 12 -5.930 -6.106 0.472
65 HE1 HIS 12 HE1 HIS 12 -9.609 -6.246 -1.481
66 HE2 HIS 12 HE2 HIS 12 -8.447 -6.910 0.722
67 HA HYP 13 HA HYP 13 -1.804 -3.706 -5.874
68 1HB HYP 13 1HB HYP 13 -3.095 -3.364 -7.739
69 2HB HYP 13 2HB HYP 13 -3.084 -1.667 -7.252
70 1HD HYP 13 1HD HYP 13 -5.863 -3.771 -4.978
71 2HD HYP 13 2HD HYP 13 -5.240 -4.883 -6.227
72 HOD HYP 13 HOD HYP 13 -5.451 -2.198 -8.399
73 HG HYP 13 HG HYP 13 -5.232 -1.836 -6.160
74 H CYS 14 H CYS 14 -4.133 -1.554 -4.239
75 HA CYS 14 HA CYS 14 -1.981 0.316 -3.198
76 1HB CYS 14 1HB CYS 14 -4.067 1.249 -4.168
77 2HB CYS 14 2HB CYS 14 -5.078 0.348 -3.009
78 H GLY 15 H GLY 15 -2.649 -2.726 -2.240
79 1HA GLY 15 1HA GLY 15 -3.306 -2.446 0.633
80 2HA GLY 15 2HA GLY 15 -2.682 -3.870 -0.164
81 H CYS 16 H CYS 16 -0.205 -2.408 -1.137
82 HA CYS 16 HA CYS 16 1.629 -3.109 0.807
83 1HB CYS 16 2HB CYS 16 2.080 -0.813 -1.240
84 2HB CYS 16 1HB CYS 16 3.282 -1.938 -0.597
85 H LYS 17 H LYS 17 3.381 -1.784 1.759
86 HA LYS 17 HA LYS 17 2.392 0.295 3.708
87 1HB LYS 17 1HB LYS 17 3.967 -1.601 4.284
88 2HB LYS 17 2HB LYS 17 5.195 -0.837 3.272
89 1HG LYS 17 1HG LYS 17 5.037 1.264 4.673
90 2HG LYS 17 2HG LYS 17 3.769 0.524 5.651
91 1HD LYS 17 1HD LYS 17 5.403 -1.300 6.365
92 2HD LYS 17 2HD LYS 17 6.672 -0.516 5.417
93 1HE LYS 17 2HE LYS 17 6.458 1.570 6.864
94 2HE LYS 17 1HE LYS 17 5.189 0.780 7.812
95 1HZ LYS 17 1HZ LYS 17 7.349 0.564 8.871
96 2HZ LYS 17 2HZ LYS 17 6.810 -0.936 8.440
97 3HZ LYS 17 3HZ LYS 17 7.994 -0.199 7.556
98 H VAL 18 H VAL 18 5.199 0.039 1.752
99 HA VAL 18 HA VAL 18 4.775 2.728 0.392
100 HB VAL 18 HB VAL 18 7.205 3.356 0.706
101 1HG1 VAL 18 1HG1 VAL 18 5.345 4.583 1.824
102 2HG1 VAL 18 2HG1 VAL 18 6.824 4.597 2.804
103 3HG1 VAL 18 3HG1 VAL 18 5.478 3.518 3.244
104 1HG2 VAL 18 1HG2 VAL 18 8.478 2.674 2.720
105 2HG2 VAL 18 2HG2 VAL 18 8.193 1.256 1.697
106 3HG2 VAL 18 3HG2 VAL 18 7.225 1.493 3.167
107 H GLY 19 H GLY 19 4.221 1.439 -1.332
108 1HA GLY 19 2HA GLY 19 6.135 1.093 -3.384
109 2HA GLY 19 1HA GLY 19 6.169 -0.480 -2.595
110 H ARG 20 H ARG 20 3.809 1.852 -3.917
111 HA ARG 20 HA ARG 20 2.154 -0.456 -5.128
112 1HB ARG 20 2HB ARG 20 1.267 2.407 -4.514
113 2HB ARG 20 1HB ARG 20 0.302 1.092 -5.108
114 1HG ARG 20 1HG ARG 20 -0.426 1.211 -2.986
115 2HG ARG 20 2HG ARG 20 0.722 -0.059 -2.805
116 1HD ARG 20 1HD ARG 20 2.362 1.503 -1.721
117 2HD ARG 20 2HD ARG 20 1.467 2.912 -2.304
118 HE ARG 20 HE ARG 20 -0.173 1.169 -0.537
119 1HH1 ARG 20 2HH2 ARG 20 2.036 3.956 -0.597
120 2HH1 ARG 20 1HH2 ARG 20 1.287 4.609 0.945
121 1HH2 ARG 20 2HH1 ARG 20 -0.927 1.990 1.247
122 2HH2 ARG 20 1HH1 ARG 20 -0.276 3.571 1.916
123 HA HYP 21 HA HYP 21 1.796 1.547 -9.230
124 1HB HYP 21 1HB HYP 21 -0.565 1.456 -9.927
125 2HB HYP 21 2HB HYP 21 -1.134 1.955 -8.331
126 1HD HYP 21 1HD HYP 21 1.081 -1.030 -7.117
127 2HD HYP 21 2HD HYP 21 -0.079 -0.101 -6.166
128 HOD HYP 21 HOD HYP 21 -0.550 -0.865 -10.107
129 HG HYP 21 HG HYP 21 -1.487 -0.346 -8.098
130 HA HYP 22 HA HYP 22 1.958 6.067 -8.950
131 1HB HYP 22 1HB HYP 22 1.304 7.140 -11.045
132 2HB HYP 22 2HB HYP 22 -0.150 6.151 -11.201
133 1HD HYP 22 1HD HYP 22 0.390 3.300 -11.225
134 2HD HYP 22 2HD HYP 22 2.118 3.028 -10.874
135 HOD HYP 22 HOD HYP 22 3.293 5.338 -10.648
136 HG HYP 22 HG HYP 22 1.319 4.965 -12.662
137 H TYR 23 H TYR 23 -1.395 4.961 -8.732
138 HA TYR 23 HA TYR 23 -2.338 7.639 -7.755
139 1HB TYR 23 2HB TYR 23 -4.570 6.640 -7.587
140 2HB TYR 23 1HB TYR 23 -3.891 6.404 -9.160
141 HD1 TYR 23 HD1 TYR 23 -3.205 4.078 -9.931
142 HD2 TYR 23 HD2 TYR 23 -5.045 4.677 -6.086
143 HE1 TYR 23 HE1 TYR 23 -3.576 1.665 -9.728
144 HE2 TYR 23 HE2 TYR 23 -5.412 2.259 -5.895
145 HH TYR 23 HH TYR 23 -4.371 0.016 -8.464
146 H CYS 24 H CYS 24 -1.120 4.827 -6.222
147 HA CYS 24 HA CYS 24 -2.383 5.509 -3.541
148 1HB CYS 24 1HB CYS 24 -2.867 3.192 -4.460
149 2HB CYS 24 2HB CYS 24 -1.150 2.806 -4.396
150 H ASP 25 H ASP 25 0.482 5.389 -5.273
151 HA ASP 25 HA ASP 25 2.272 5.500 -2.804
152 1HB ASP 25 2HB ASP 25 2.779 3.709 -4.603
153 2HB ASP 25 1HB ASP 25 3.219 4.994 -5.703
154 HD2 ASP 25 HD2 ASP 25 3.815 3.605 -2.644
155 H ARG 26 H ARG 26 1.347 7.355 -5.671
156 HA ARG 26 HA ARG 26 3.255 9.650 -5.016
157 1HB ARG 26 2HB ARG 26 0.878 9.626 -6.922
158 2HB ARG 26 1HB ARG 26 2.028 10.929 -6.696
159 1HG ARG 26 1HG ARG 26 3.930 9.446 -7.427
160 2HG ARG 26 2HG ARG 26 2.809 8.103 -7.647
161 1HD ARG 26 2HD ARG 26 1.550 9.473 -9.409
162 2HD ARG 26 1HD ARG 26 2.742 10.769 -9.220
163 HE ARG 26 HE ARG 26 4.208 8.321 -9.816
164 1HH1 ARG 26 1HH2 ARG 26 1.950 10.524 -11.459
165 2HH1 ARG 26 2HH2 ARG 26 2.667 10.069 -13.085
166 1HH2 ARG 26 2HH1 ARG 26 4.946 7.877 -11.719
167 2HH2 ARG 26 1HH1 ARG 26 4.249 8.671 -13.220
168 HA HYP 27 HA HYP 27 0.559 12.395 -2.655
169 1HB HYP 27 1HB HYP 27 0.106 14.541 -3.626
170 2HB HYP 27 2HB HYP 27 -0.452 13.850 -5.158
171 1HD HYP 27 1HD HYP 27 1.681 12.107 -6.433
172 2HD HYP 27 2HD HYP 27 3.003 12.049 -5.260
173 HOD HYP 27 HOD HYP 27 2.386 15.058 -3.729
174 HG HYP 27 HG HYP 27 1.726 14.441 -5.822
175 H SER 28 H SER 28 -0.835 10.662 -2.070
176 HA SER 28 HA SER 28 -3.355 10.119 -3.399
177 1HB SER 28 1HB SER 28 -2.289 9.125 -0.707
178 2HB SER 28 2HB SER 28 -3.724 8.511 -1.532
179 HG SER 28 HG SER 28 -2.407 8.039 -3.332
180 H GLY 29 H GLY 29 -4.716 12.088 -3.319
181 1HA GLY 29 1HA GLY 29 -6.455 12.348 -0.976
182 2HA GLY 29 2HA GLY 29 -5.262 13.648 -0.948
183 H GLY 30 H GLY 30 -5.401 15.268 -2.492
184 1HA GLY 30 1HA GLY 30 -8.055 15.577 -3.951
185 2HA GLY 30 2HA GLY 30 -6.895 16.842 -3.613
186 1HN NH2 31 1HN NH2 31 -6.561 14.875 -7.186
187 2HN NH2 31 2HN NH2 31 -7.824 14.435 -5.930
Start of MODEL 14
1 1H GLY 1 1H GLY 1 6.423 -5.761 -6.487
2 2H GLY 1 2H GLY 1 5.353 -4.661 -5.924
3 1HA GLY 1 2HA GLY 1 4.770 -6.756 -7.951
4 2HA GLY 1 1HA GLY 1 4.280 -6.811 -6.258
5 H CYS 2 H CYS 2 1.400 -4.711 -7.079
6 HA CYS 2 HA CYS 2 3.316 -5.299 -4.790
7 1HB CYS 2 2HB CYS 2 2.045 -3.186 -4.639
8 2HB CYS 2 1HB CYS 2 0.515 -4.077 -4.721
9 H CYS 3 H CYS 3 -0.190 -6.118 -5.271
10 HA CYS 3 HA CYS 3 0.401 -9.036 -4.638
11 1HB CYS 3 1HB CYS 3 -1.587 -7.269 -3.119
12 2HB CYS 3 2HB CYS 3 -1.589 -9.035 -3.086
13 H GLY 4 H GLY 4 -2.961 -7.553 -4.726
14 1HA GLY 4 2HA GLY 4 -4.377 -7.284 -6.676
15 2HA GLY 4 1HA GLY 4 -2.968 -7.483 -7.628
16 HA PRO 5 HA PRO 5 -5.511 -11.220 -8.979
17 1HB PRO 5 1HB PRO 5 -3.128 -10.890 -10.907
18 2HB PRO 5 2HB PRO 5 -4.760 -11.485 -11.274
19 1HG PRO 5 2HG PRO 5 -4.066 -8.881 -11.762
20 2HG PRO 5 1HG PRO 5 -5.690 -9.283 -11.160
21 1HD PRO 5 2HD PRO 5 -3.457 -7.944 -9.618
22 2HD PRO 5 1HD PRO 5 -5.202 -7.936 -9.335
23 H TYR 6 H TYR 6 -2.090 -11.025 -8.118
24 HA TYR 6 HA TYR 6 -2.140 -14.020 -7.399
25 1HB TYR 6 1HB TYR 6 0.344 -12.447 -8.302
26 2HB TYR 6 2HB TYR 6 0.329 -14.078 -7.692
27 HD1 TYR 6 HD1 TYR 6 -0.223 -12.001 -10.658
28 HD2 TYR 6 HD2 TYR 6 -0.921 -15.927 -9.038
29 HE1 TYR 6 HE1 TYR 6 -0.696 -12.851 -12.909
30 HE2 TYR 6 HE2 TYR 6 -1.391 -16.766 -11.300
31 HH TYR 6 HH TYR 6 -1.545 -16.273 -13.460
32 HA HYP 7 HA HYP 7 -1.514 -11.287 -3.608
33 1HB HYP 7 1HB HYP 7 -3.804 -11.792 -2.227
34 2HB HYP 7 2HB HYP 7 -3.855 -10.929 -3.764
35 1HD HYP 7 1HD HYP 7 -4.087 -12.869 -6.071
36 2HD HYP 7 2HD HYP 7 -3.559 -14.439 -5.412
37 HOD HYP 7 HOD HYP 7 -6.126 -13.418 -4.631
38 HG HYP 7 HG HYP 7 -4.360 -13.923 -3.267
39 H ASN 8 H ASN 8 -1.992 -11.951 -1.103
40 HA ASN 8 HA ASN 8 -0.780 -14.689 -0.443
41 1HB ASN 8 1HB ASN 8 -1.288 -12.294 1.435
42 2HB ASN 8 2HB ASN 8 -0.829 -13.896 1.961
43 1HD2 ASN 8 1HD2 ASN 8 0.380 -10.929 0.757
44 2HD2 ASN 8 2HD2 ASN 8 2.138 -11.446 0.670
45 H ALA 9 H ALA 9 -3.352 -12.807 1.225
46 HA ALA 9 HA ALA 9 -5.343 -15.060 0.680
47 1HB ALA 9 1HB ALA 9 -6.756 -14.027 2.480
48 2HB ALA 9 2HB ALA 9 -5.512 -12.783 2.761
49 3HB ALA 9 3HB ALA 9 -5.158 -14.496 3.099
50 H ALA 10 H ALA 10 -6.074 -11.634 1.088
51 HA ALA 10 HA ALA 10 -6.198 -11.268 -1.908
52 1HB ALA 10 1HB ALA 10 -8.644 -10.382 -0.301
53 2HB ALA 10 2HB ALA 10 -8.258 -10.034 -2.008
54 3HB ALA 10 3HB ALA 10 -8.577 -11.711 -1.525
55 H CYS 11 H CYS 11 -4.208 -10.648 -0.547
56 HA CYS 11 HA CYS 11 -4.042 -7.851 0.366
57 1HB CYS 11 2HB CYS 11 -2.224 -9.364 0.876
58 2HB CYS 11 1HB CYS 11 -1.953 -9.781 -0.818
59 H HIS 12 H HIS 12 -3.909 -5.979 -0.787
60 HA HIS 12 HA HIS 12 -4.961 -6.089 -3.632
61 1HB HIS 12 2HB HIS 12 -5.110 -4.131 -1.260
62 2HB HIS 12 1HB HIS 12 -5.325 -3.463 -2.824
63 HD1 HIS 12 HD1 HIS 12 -7.653 -4.024 -4.147
64 HD2 HIS 12 HD2 HIS 12 -6.992 -6.056 -0.417
65 HE1 HIS 12 HE1 HIS 12 -9.813 -5.188 -3.360
66 HE2 HIS 12 HE2 HIS 12 -9.524 -6.436 -1.123
67 HA HYP 13 HA HYP 13 -1.486 -3.952 -5.740
68 1HB HYP 13 1HB HYP 13 -3.478 -1.902 -6.802
69 2HB HYP 13 2HB HYP 13 -2.274 -2.841 -7.663
70 1HD HYP 13 1HD HYP 13 -5.015 -5.366 -5.711
71 2HD HYP 13 2HD HYP 13 -5.404 -3.674 -5.331
72 HOD HYP 13 HOD HYP 13 -2.932 -5.381 -7.331
73 HG HYP 13 HG HYP 13 -4.981 -3.448 -7.680
74 H CYS 14 H CYS 14 -3.858 -1.536 -4.604
75 HA CYS 14 HA CYS 14 -1.791 0.178 -3.202
76 1HB CYS 14 1HB CYS 14 -3.400 1.382 -4.280
77 2HB CYS 14 2HB CYS 14 -4.827 0.418 -3.727
78 H GLY 15 H GLY 15 -2.844 -2.873 -2.406
79 1HA GLY 15 2HA GLY 15 -3.490 -2.653 0.430
80 2HA GLY 15 1HA GLY 15 -2.742 -4.018 -0.373
81 H CYS 16 H CYS 16 -0.428 -2.544 -1.374
82 HA CYS 16 HA CYS 16 1.651 -2.799 0.527
83 1HB CYS 16 1HB CYS 16 1.243 -1.355 -2.122
84 2HB CYS 16 2HB CYS 16 2.591 -0.757 -1.236
85 H LYS 17 H LYS 17 2.704 -1.575 1.877
86 HA LYS 17 HA LYS 17 1.695 1.188 2.717
87 1HB LYS 17 1HB LYS 17 3.452 -0.829 4.218
88 2HB LYS 17 2HB LYS 17 3.154 0.827 4.737
89 1HG LYS 17 2HG LYS 17 0.627 0.307 4.672
90 2HG LYS 17 1HG LYS 17 1.021 -1.387 4.438
91 1HD LYS 17 2HD LYS 17 1.894 0.315 6.886
92 2HD LYS 17 1HD LYS 17 0.440 -0.647 6.802
93 1HE LYS 17 1HE LYS 17 1.916 -1.991 8.049
94 2HE LYS 17 2HE LYS 17 1.857 -2.766 6.469
95 1HZ LYS 17 1HZ LYS 17 4.031 -0.959 7.438
96 2HZ LYS 17 2HZ LYS 17 4.119 -2.604 7.312
97 3HZ LYS 17 3HZ LYS 17 3.999 -1.676 5.951
98 H VAL 18 H VAL 18 4.209 -0.375 1.093
99 HA VAL 18 HA VAL 18 5.591 2.179 0.595
100 HB VAL 18 HB VAL 18 6.789 1.558 2.634
101 1HG1 VAL 18 1HG1 VAL 18 7.940 -0.952 1.265
102 2HG1 VAL 18 2HG1 VAL 18 6.744 -0.955 2.583
103 3HG1 VAL 18 3HG1 VAL 18 8.371 -0.312 2.868
104 1HG2 VAL 18 1HG2 VAL 18 8.640 1.416 0.185
105 2HG2 VAL 18 2HG2 VAL 18 9.098 1.913 1.834
106 3HG2 VAL 18 3HG2 VAL 18 7.955 2.897 0.897
107 H GLY 19 H GLY 19 5.652 2.138 -1.519
108 1HA GLY 19 2HA GLY 19 6.397 1.361 -3.722
109 2HA GLY 19 1HA GLY 19 6.632 -0.258 -3.113
110 H ARG 20 H ARG 20 4.130 2.096 -3.914
111 HA ARG 20 HA ARG 20 2.063 -0.078 -4.594
112 1HB ARG 20 2HB ARG 20 1.850 2.927 -4.135
113 2HB ARG 20 1HB ARG 20 0.511 1.893 -4.544
114 1HG ARG 20 1HG ARG 20 0.280 2.558 -2.371
115 2HG ARG 20 2HG ARG 20 0.654 0.881 -2.253
116 1HD ARG 20 1HD ARG 20 2.908 1.442 -1.312
117 2HD ARG 20 2HD ARG 20 2.882 3.042 -2.058
118 HE ARG 20 HE ARG 20 0.711 2.643 -0.050
119 1HH1 ARG 20 2HH1 ARG 20 3.983 3.927 -0.589
120 2HH1 ARG 20 1HH1 ARG 20 3.797 5.054 0.849
121 1HH2 ARG 20 2HH2 ARG 20 0.637 3.920 1.612
122 2HH2 ARG 20 1HH2 ARG 20 2.028 5.048 2.009
123 HA HYP 21 HA HYP 21 1.254 1.458 -8.845
124 1HB HYP 21 1HB HYP 21 -1.445 2.256 -7.561
125 2HB HYP 21 2HB HYP 21 -1.198 1.572 -9.162
126 1HD HYP 21 1HD HYP 21 0.721 -0.792 -6.427
127 2HD HYP 21 2HD HYP 21 -0.241 0.275 -5.404
128 HOD HYP 21 HOD HYP 21 0.209 -0.650 -8.817
129 HG HYP 21 HG HYP 21 -1.930 0.004 -7.059
130 HA HYP 22 HA HYP 22 1.766 5.929 -9.121
131 1HB HYP 22 1HB HYP 22 1.191 6.734 -11.324
132 2HB HYP 22 2HB HYP 22 -0.451 6.081 -11.242
133 1HD HYP 22 1HD HYP 22 1.123 2.586 -10.709
134 2HD HYP 22 2HD HYP 22 -0.528 3.241 -10.826
135 HOD HYP 22 HOD HYP 22 2.793 4.615 -10.895
136 HG HYP 22 HG HYP 22 0.539 4.436 -12.621
137 H TYR 23 H TYR 23 -1.484 5.097 -8.379
138 HA TYR 23 HA TYR 23 -2.203 7.906 -7.499
139 1HB TYR 23 1HB TYR 23 -4.483 7.019 -7.099
140 2HB TYR 23 2HB TYR 23 -3.969 6.870 -8.746
141 HD1 TYR 23 HD1 TYR 23 -3.503 4.593 -9.756
142 HD2 TYR 23 HD2 TYR 23 -4.909 4.950 -5.705
143 HE1 TYR 23 HE1 TYR 23 -3.926 2.181 -9.688
144 HE2 TYR 23 HE2 TYR 23 -5.328 2.532 -5.648
145 HH TYR 23 HH TYR 23 -4.612 0.456 -8.456
146 H CYS 24 H CYS 24 -1.132 4.933 -6.082
147 HA CYS 24 HA CYS 24 -2.078 5.757 -3.292
148 1HB CYS 24 2HB CYS 24 -1.642 2.948 -4.477
149 2HB CYS 24 1HB CYS 24 -1.569 3.140 -2.800
150 H ASP 25 H ASP 25 0.616 5.550 -5.217
151 HA ASP 25 HA ASP 25 2.578 5.652 -2.885
152 1HB ASP 25 1HB ASP 25 3.130 4.183 -4.981
153 2HB ASP 25 2HB ASP 25 3.329 5.664 -5.884
154 HD2 ASP 25 HD2 ASP 25 4.377 3.755 -3.302
155 H ARG 26 H ARG 26 1.173 7.541 -5.525
156 HA ARG 26 HA ARG 26 2.578 10.110 -5.018
157 1HB ARG 26 1HB ARG 26 1.531 9.505 -7.123
158 2HB ARG 26 2HB ARG 26 -0.037 9.237 -6.357
159 1HG ARG 26 2HG ARG 26 -0.269 11.699 -5.918
160 2HG ARG 26 1HG ARG 26 1.342 11.974 -6.571
161 1HD ARG 26 1HD ARG 26 -0.258 12.560 -8.303
162 2HD ARG 26 2HD ARG 26 0.616 11.120 -8.826
163 HE ARG 26 HE ARG 26 -1.961 10.417 -7.494
164 1HH1 ARG 26 2HH2 ARG 26 -0.603 11.497 -10.597
165 2HH1 ARG 26 1HH2 ARG 26 -2.044 10.793 -11.489
166 1HH2 ARG 26 2HH1 ARG 26 -3.552 9.653 -8.611
167 2HH2 ARG 26 1HH1 ARG 26 -3.599 9.820 -10.437
168 HA HYP 27 HA HYP 27 0.675 11.362 -1.195
169 1HB HYP 27 1HB HYP 27 0.744 13.729 -0.889
170 2HB HYP 27 2HB HYP 27 -0.069 14.064 -2.428
171 1HD HYP 27 1HD HYP 27 1.324 12.945 -4.725
172 2HD HYP 27 2HD HYP 27 2.744 12.033 -4.160
173 HOD HYP 27 HOD HYP 27 3.838 13.078 -2.416
174 HG HYP 27 HG HYP 27 2.166 14.475 -3.085
175 H SER 28 H SER 28 -1.054 10.062 -0.917
176 HA SER 28 HA SER 28 -3.644 10.433 -2.153
177 1HB SER 28 1HB SER 28 -2.837 8.529 0.118
178 2HB SER 28 2HB SER 28 -4.373 8.479 -0.754
179 HG SER 28 HG SER 28 -2.826 7.094 -1.635
180 H GLY 29 H GLY 29 -3.025 10.465 1.416
181 1HA GLY 29 2HA GLY 29 -5.368 12.408 1.828
182 2HA GLY 29 1HA GLY 29 -4.543 11.502 3.080
183 H GLY 30 H GLY 30 -4.155 14.171 0.808
184 1HA GLY 30 1HA GLY 30 -2.909 16.077 2.534
185 2HA GLY 30 2HA GLY 30 -1.550 15.130 1.925
186 1HN NH2 31 1HN NH2 31 -1.732 16.619 -1.373
187 2HN NH2 31 2HN NH2 31 -0.999 15.320 -0.306
Start of MODEL 15
1 1H GLY 1 1H GLY 1 8.798 -9.091 0.603
2 2H GLY 1 2H GLY 1 7.309 -9.375 -0.010
3 1HA GLY 1 1HA GLY 1 8.038 -7.170 1.840
4 2HA GLY 1 2HA GLY 1 7.768 -7.000 0.108
5 H CYS 2 H CYS 2 5.632 -7.035 -0.673
6 HA CYS 2 HA CYS 2 3.339 -7.060 1.373
7 1HB CYS 2 1HB CYS 2 3.821 -4.748 0.729
8 2HB CYS 2 2HB CYS 2 3.905 -5.136 -0.988
9 H CYS 3 H CYS 3 2.274 -6.745 -1.768
10 HA CYS 3 HA CYS 3 2.515 -9.502 -2.675
11 1HB CYS 3 1HB CYS 3 0.694 -10.008 -1.011
12 2HB CYS 3 2HB CYS 3 -0.346 -8.831 -1.805
13 H GLY 4 H GLY 4 -0.248 -7.194 -3.260
14 1HA GLY 4 1HA GLY 4 0.004 -5.535 -5.223
15 2HA GLY 4 2HA GLY 4 0.951 -6.726 -6.061
16 HA PRO 5 HA PRO 5 -3.549 -7.012 -7.419
17 1HB PRO 5 1HB PRO 5 -3.273 -6.612 -10.146
18 2HB PRO 5 2HB PRO 5 -3.233 -5.323 -8.940
19 1HG PRO 5 1HG PRO 5 -0.841 -6.768 -10.192
20 2HG PRO 5 2HG PRO 5 -1.116 -5.007 -10.101
21 1HD PRO 5 1HD PRO 5 0.452 -6.300 -8.225
22 2HD PRO 5 2HD PRO 5 -0.614 -4.961 -7.731
23 H TYR 6 H TYR 6 -1.273 -9.419 -7.636
24 HA TYR 6 HA TYR 6 -2.526 -10.920 -9.927
25 1HB TYR 6 2HB TYR 6 0.061 -11.411 -8.362
26 2HB TYR 6 1HB TYR 6 -0.559 -12.518 -9.560
27 HD1 TYR 6 HD1 TYR 6 -0.616 -11.870 -11.993
28 HD2 TYR 6 HD2 TYR 6 0.961 -9.169 -9.034
29 HE1 TYR 6 HE1 TYR 6 0.434 -10.528 -13.764
30 HE2 TYR 6 HE2 TYR 6 1.999 -7.836 -10.813
31 HH TYR 6 HH TYR 6 2.330 -7.607 -12.997
32 HA HYP 7 HA HYP 7 -3.931 -14.412 -7.074
33 1HB HYP 7 1HB HYP 7 -2.210 -15.434 -5.994
34 2HB HYP 7 2HB HYP 7 -2.982 -14.908 -4.498
35 1HD HYP 7 1HD HYP 7 -0.540 -13.300 -7.170
36 2HD HYP 7 2HD HYP 7 -0.815 -11.790 -6.253
37 HOD HYP 7 HOD HYP 7 0.546 -13.734 -4.807
38 HG HYP 7 HG HYP 7 -1.543 -12.972 -4.312
39 H ASN 8 H ASN 8 -4.973 -14.670 -4.446
40 HA ASN 8 HA ASN 8 -7.266 -12.766 -5.036
41 1HB ASN 8 1HB ASN 8 -7.284 -15.668 -4.022
42 2HB ASN 8 2HB ASN 8 -8.721 -14.695 -4.205
43 1HD2 ASN 8 1HD2 ASN 8 -9.382 -14.047 -6.362
44 2HD2 ASN 8 2HD2 ASN 8 -8.828 -15.039 -7.803
45 H ALA 9 H ALA 9 -6.028 -14.455 -2.055
46 HA ALA 9 HA ALA 9 -8.134 -13.270 -0.410
47 1HB ALA 9 1HB ALA 9 -7.173 -15.488 0.076
48 2HB ALA 9 2HB ALA 9 -5.589 -14.769 0.461
49 3HB ALA 9 3HB ALA 9 -7.002 -14.424 1.485
50 H ALA 10 H ALA 10 -4.740 -12.780 0.603
51 HA ALA 10 HA ALA 10 -5.335 -10.015 1.611
52 1HB ALA 10 1HB ALA 10 -2.910 -9.963 2.227
53 2HB ALA 10 2HB ALA 10 -3.631 -11.496 2.757
54 3HB ALA 10 3HB ALA 10 -2.603 -11.441 1.296
55 H CYS 11 H CYS 11 -4.193 -11.217 -1.421
56 HA CYS 11 HA CYS 11 -2.371 -9.139 -2.102
57 1HB CYS 11 2HB CYS 11 -2.794 -11.609 -3.072
58 2HB CYS 11 1HB CYS 11 -3.752 -10.752 -4.282
59 H HIS 12 H HIS 12 -2.825 -7.108 -2.288
60 HA HIS 12 HA HIS 12 -5.040 -6.136 -4.149
61 1HB HIS 12 1HB HIS 12 -4.370 -4.965 -1.365
62 2HB HIS 12 2HB HIS 12 -5.367 -4.158 -2.544
63 HD1 HIS 12 HD1 HIS 12 -7.756 -5.640 -3.322
64 HD2 HIS 12 HD2 HIS 12 -5.644 -6.618 0.292
65 HE1 HIS 12 HE1 HIS 12 -9.255 -7.022 -1.747
66 HE2 HIS 12 HE2 HIS 12 -8.079 -7.661 0.455
67 HA HYP 13 HA HYP 13 -1.471 -3.764 -5.820
68 1HB HYP 13 1HB HYP 13 -2.540 -3.317 -7.776
69 2HB HYP 13 2HB HYP 13 -2.853 -1.706 -7.161
70 1HD HYP 13 1HD HYP 13 -5.551 -4.222 -5.311
71 2HD HYP 13 2HD HYP 13 -4.645 -5.233 -6.473
72 HOD HYP 13 HOD HYP 13 -4.582 -4.112 -8.473
73 HG HYP 13 HG HYP 13 -5.041 -2.215 -6.405
74 H CYS 14 H CYS 14 -4.003 -1.712 -4.311
75 HA CYS 14 HA CYS 14 -1.871 0.087 -3.073
76 1HB CYS 14 1HB CYS 14 -3.636 1.185 -4.387
77 2HB CYS 14 2HB CYS 14 -4.923 0.498 -3.344
78 H GLY 15 H GLY 15 -2.482 -2.763 -2.112
79 1HA GLY 15 1HA GLY 15 -3.608 -2.415 0.648
80 2HA GLY 15 2HA GLY 15 -2.801 -3.836 0.016
81 H CYS 16 H CYS 16 -0.386 -2.478 -0.864
82 HA CYS 16 HA CYS 16 1.294 -2.728 1.404
83 1HB CYS 16 2HB CYS 16 1.948 -1.142 -1.186
84 2HB CYS 16 1HB CYS 16 3.057 -2.104 -0.193
85 H LYS 17 H LYS 17 2.850 -1.294 2.227
86 HA LYS 17 HA LYS 17 1.983 1.545 2.903
87 1HB LYS 17 1HB LYS 17 4.321 -0.206 3.816
88 2HB LYS 17 2HB LYS 17 4.119 1.490 4.260
89 1HG LYS 17 1HG LYS 17 1.851 0.961 5.260
90 2HG LYS 17 2HG LYS 17 2.075 -0.743 4.861
91 1HD LYS 17 1HD LYS 17 4.122 -0.833 6.347
92 2HD LYS 17 2HD LYS 17 3.931 0.882 6.727
93 1HE LYS 17 2HE LYS 17 1.671 0.403 7.788
94 2HE LYS 17 1HE LYS 17 1.857 -1.316 7.409
95 1HZ LYS 17 1HZ LYS 17 3.680 0.256 9.168
96 2HZ LYS 17 2HZ LYS 17 2.542 -0.830 9.673
97 3HZ LYS 17 3HZ LYS 17 3.855 -1.349 8.814
98 H VAL 18 H VAL 18 4.957 0.022 2.170
99 HA VAL 18 HA VAL 18 5.825 2.198 0.200
100 HB VAL 18 HB VAL 18 8.116 1.265 0.305
101 1HG1 VAL 18 1HG2 VAL 18 7.096 2.264 3.027
102 2HG1 VAL 18 2HG2 VAL 18 8.771 2.343 2.427
103 3HG1 VAL 18 3HG2 VAL 18 7.498 3.282 1.624
104 1HG2 VAL 18 1HG1 VAL 18 7.767 -1.061 1.150
105 2HG2 VAL 18 2HG1 VAL 18 7.250 -0.429 2.731
106 3HG2 VAL 18 3HG1 VAL 18 8.917 -0.172 2.163
107 H GLY 19 H GLY 19 6.001 1.740 -1.883
108 1HA GLY 19 2HA GLY 19 6.367 0.415 -3.888
109 2HA GLY 19 1HA GLY 19 6.232 -1.068 -2.975
110 H ARG 20 H ARG 20 4.325 1.636 -4.250
111 HA ARG 20 HA ARG 20 2.054 -0.217 -5.002
112 1HB ARG 20 1HB ARG 20 0.369 1.104 -3.987
113 2HB ARG 20 2HB ARG 20 1.453 0.541 -2.769
114 1HG ARG 20 2HG ARG 20 1.247 3.430 -3.812
115 2HG ARG 20 1HG ARG 20 0.525 2.732 -2.378
116 1HD ARG 20 1HD ARG 20 2.251 3.847 -1.407
117 2HD ARG 20 2HD ARG 20 2.921 2.215 -1.504
118 HE ARG 20 HE ARG 20 3.762 3.528 -3.915
119 1HH1 ARG 20 1HH2 ARG 20 4.258 4.080 -0.437
120 2HH1 ARG 20 2HH2 ARG 20 5.932 4.756 -0.767
121 1HH2 ARG 20 1HH1 ARG 20 5.688 4.305 -4.173
122 2HH2 ARG 20 2HH1 ARG 20 6.684 4.875 -2.741
123 HA HYP 21 HA HYP 21 1.470 1.886 -8.889
124 1HB HYP 21 1HB HYP 21 -0.934 1.934 -9.419
125 2HB HYP 21 2HB HYP 21 -1.364 2.424 -7.774
126 1HD HYP 21 1HD HYP 21 0.831 -0.664 -6.806
127 2HD HYP 21 2HD HYP 21 -0.235 0.276 -5.750
128 HOD HYP 21 HOD HYP 21 0.514 -0.261 -9.203
129 HG HYP 21 HG HYP 21 -1.778 0.123 -7.569
130 HA HYP 22 HA HYP 22 1.640 6.493 -8.862
131 1HB HYP 22 1HB HYP 22 -0.345 6.319 -11.191
132 2HB HYP 22 2HB HYP 22 1.112 7.310 -11.047
133 1HD HYP 22 1HD HYP 22 0.206 3.484 -10.928
134 2HD HYP 22 2HD HYP 22 1.940 3.238 -10.564
135 HOD HYP 22 HOD HYP 22 3.088 5.580 -10.486
136 HG HYP 22 HG HYP 22 1.155 5.015 -12.495
137 H TYR 23 H TYR 23 -1.654 5.151 -8.980
138 HA TYR 23 HA TYR 23 -2.956 7.623 -7.899
139 1HB TYR 23 1HB TYR 23 -5.021 6.398 -7.839
140 2HB TYR 23 2HB TYR 23 -4.265 6.174 -9.377
141 HD1 TYR 23 HD1 TYR 23 -5.263 4.471 -6.215
142 HD2 TYR 23 HD2 TYR 23 -3.484 3.881 -10.089
143 HE1 TYR 23 HE1 TYR 23 -5.502 2.040 -5.961
144 HE2 TYR 23 HE2 TYR 23 -3.749 1.450 -9.828
145 HH TYR 23 HH TYR 23 -5.163 0.048 -6.873
146 H CYS 24 H CYS 24 -1.351 4.942 -6.468
147 HA CYS 24 HA CYS 24 -2.729 5.196 -3.780
148 1HB CYS 24 1HB CYS 24 -2.456 2.915 -4.817
149 2HB CYS 24 2HB CYS 24 -0.734 3.014 -4.729
150 H ASP 25 H ASP 25 0.117 6.031 -5.366
151 HA ASP 25 HA ASP 25 1.544 6.952 -2.834
152 1HB ASP 25 1HB ASP 25 2.936 5.699 -4.572
153 2HB ASP 25 2HB ASP 25 2.595 6.951 -5.745
154 HD2 ASP 25 HD2 ASP 25 4.998 7.816 -2.549
155 H ARG 26 H ARG 26 -0.033 8.144 -5.802
156 HA ARG 26 HA ARG 26 0.349 11.058 -5.181
157 1HB ARG 26 2HB ARG 26 -1.521 9.498 -7.048
158 2HB ARG 26 1HB ARG 26 -1.680 11.224 -6.833
159 1HG ARG 26 1HG ARG 26 0.903 9.845 -7.813
160 2HG ARG 26 2HG ARG 26 -0.344 10.507 -8.867
161 1HD ARG 26 2HD ARG 26 0.015 12.816 -7.816
162 2HD ARG 26 1HD ARG 26 1.350 12.142 -6.863
163 HE ARG 26 HE ARG 26 1.854 11.529 -9.678
164 1HH1 ARG 26 2HH1 ARG 26 1.787 14.361 -7.527
165 2HH1 ARG 26 1HH1 ARG 26 2.993 15.226 -8.606
166 1HH2 ARG 26 2HH2 ARG 26 3.221 12.607 -10.832
167 2HH2 ARG 26 1HH2 ARG 26 3.749 14.298 -10.351
168 HA HYP 27 HA HYP 27 -2.645 11.820 -2.087
169 1HB HYP 27 1HB HYP 27 -4.278 13.682 -3.891
170 2HB HYP 27 2HB HYP 27 -3.694 13.951 -2.240
171 1HD HYP 27 1HD HYP 27 -2.009 13.091 -5.748
172 2HD HYP 27 2HD HYP 27 -0.531 13.000 -4.756
173 HOD HYP 27 HOD HYP 27 -1.631 15.031 -2.216
174 HG HYP 27 HG HYP 27 -2.372 15.004 -4.371
175 H SER 28 H SER 28 -3.624 9.904 -1.743
176 HA SER 28 HA SER 28 -5.873 8.882 -3.249
177 1HB SER 28 2HB SER 28 -4.682 7.852 -0.612
178 2HB SER 28 1HB SER 28 -5.858 6.988 -1.607
179 HG SER 28 HG SER 28 -3.308 7.896 -2.455
180 H GLY 29 H GLY 29 -5.916 9.608 0.303
181 1HA GLY 29 1HA GLY 29 -8.944 9.945 0.222
182 2HA GLY 29 2HA GLY 29 -7.945 9.823 1.651
183 H GLY 30 H GLY 30 -9.233 11.989 -0.711
184 1HA GLY 30 1HA GLY 30 -9.081 14.346 1.035
185 2HA GLY 30 2HA GLY 30 -7.743 14.429 -0.114
186 1HN NH2 31 1HN NH2 31 -11.509 15.281 -1.482
187 2HN NH2 31 2HN NH2 31 -11.179 14.777 0.251
Start of MODEL 16
1 1H GLY 1 1H GLY 1 -2.366 -5.253 -7.627
2 2H GLY 1 2H GLY 1 -2.573 -6.193 -8.949
3 1HA GLY 1 1HA GLY 1 -1.161 -7.339 -7.416
4 2HA GLY 1 2HA GLY 1 -0.290 -6.950 -8.897
5 H CYS 2 H CYS 2 -0.285 -6.569 -5.487
6 HA CYS 2 HA CYS 2 2.314 -5.583 -5.478
7 1HB CYS 2 1HB CYS 2 1.340 -3.260 -5.693
8 2HB CYS 2 2HB CYS 2 0.419 -3.502 -4.199
9 H CYS 3 H CYS 3 2.795 -6.901 -3.476
10 HA CYS 3 HA CYS 3 0.464 -8.248 -2.142
11 1HB CYS 3 2HB CYS 3 3.056 -9.707 -2.916
12 2HB CYS 3 1HB CYS 3 1.717 -10.301 -1.911
13 H GLY 4 H GLY 4 0.931 -6.211 -0.927
14 1HA GLY 4 1HA GLY 4 3.360 -5.460 0.318
15 2HA GLY 4 2HA GLY 4 1.779 -4.978 0.639
16 HA PRO 5 HA PRO 5 3.312 -6.301 4.923
17 1HB PRO 5 2HB PRO 5 0.289 -5.765 5.183
18 2HB PRO 5 1HB PRO 5 1.558 -5.461 6.389
19 1HG PRO 5 1HG PRO 5 0.705 -3.466 4.716
20 2HG PRO 5 2HG PRO 5 2.416 -3.599 5.170
21 1HD PRO 5 2HD PRO 5 1.203 -4.174 2.470
22 2HD PRO 5 1HD PRO 5 2.889 -3.870 2.910
23 H TYR 6 H TYR 6 0.457 -7.795 3.451
24 HA TYR 6 HA TYR 6 1.233 -10.465 4.781
25 1HB TYR 6 2HB TYR 6 -1.618 -9.773 3.922
26 2HB TYR 6 1HB TYR 6 -1.062 -11.278 4.595
27 HD1 TYR 6 HD1 TYR 6 -2.209 -7.900 5.385
28 HD2 TYR 6 HD2 TYR 6 -0.125 -11.277 7.050
29 HE1 TYR 6 HE1 TYR 6 -2.534 -6.994 7.640
30 HE2 TYR 6 HE2 TYR 6 -0.458 -10.358 9.305
31 HH TYR 6 HH TYR 6 -2.182 -7.280 9.817
32 HA HYP 7 HA HYP 7 1.941 -10.366 0.177
33 1HB HYP 7 1HB HYP 7 4.178 -10.125 0.753
34 2HB HYP 7 2HB HYP 7 4.310 -11.726 0.013
35 1HD HYP 7 1HD HYP 7 2.877 -11.908 3.937
36 2HD HYP 7 2HD HYP 7 3.432 -10.242 3.592
37 HOD HYP 7 HOD HYP 7 5.636 -11.690 3.487
38 HG HYP 7 HG HYP 7 4.162 -12.849 2.180
39 H ASN 8 H ASN 8 0.017 -12.229 1.118
40 HA ASN 8 HA ASN 8 -0.170 -14.200 -1.040
41 1HB ASN 8 1HB ASN 8 -0.052 -16.328 0.227
42 2HB ASN 8 2HB ASN 8 1.489 -15.554 0.058
43 1HD2 ASN 8 1HD2 ASN 8 2.538 -14.727 1.979
44 2HD2 ASN 8 2HD2 ASN 8 2.004 -15.307 3.637
45 H ALA 9 H ALA 9 -1.198 -13.551 2.330
46 HA ALA 9 HA ALA 9 -4.003 -14.471 1.851
47 1HB ALA 9 1HB ALA 9 -2.984 -14.741 4.097
48 2HB ALA 9 2HB ALA 9 -4.438 -13.727 4.180
49 3HB ALA 9 3HB ALA 9 -2.828 -12.973 4.272
50 H ALA 10 H ALA 10 -2.469 -11.246 2.183
51 HA ALA 10 HA ALA 10 -4.984 -9.995 0.955
52 1HB ALA 10 1HB ALA 10 -4.946 -9.423 3.401
53 2HB ALA 10 2HB ALA 10 -3.360 -8.636 3.188
54 3HB ALA 10 3HB ALA 10 -4.786 -8.001 2.354
55 H CYS 11 H CYS 11 -3.158 -10.850 -0.728
56 HA CYS 11 HA CYS 11 -1.367 -8.701 -1.628
57 1HB CYS 11 2HB CYS 11 -1.095 -11.061 -2.396
58 2HB CYS 11 1HB CYS 11 -2.566 -10.925 -3.386
59 H HIS 12 H HIS 12 -2.101 -6.772 -2.093
60 HA HIS 12 HA HIS 12 -4.572 -6.293 -3.822
61 1HB HIS 12 2HB HIS 12 -4.066 -5.286 -0.949
62 2HB HIS 12 1HB HIS 12 -5.057 -4.338 -2.008
63 HD1 HIS 12 HD1 HIS 12 -7.335 -5.816 -3.134
64 HD2 HIS 12 HD2 HIS 12 -5.296 -7.210 0.380
65 HE1 HIS 12 HE1 HIS 12 -8.809 -7.490 -1.843
66 HE2 HIS 12 HE2 HIS 12 -7.674 -8.392 0.289
67 HA HYP 13 HA HYP 13 -1.581 -3.376 -5.695
68 1HB HYP 13 1HB HYP 13 -2.703 -3.033 -7.601
69 2HB HYP 13 2HB HYP 13 -3.434 -1.583 -6.929
70 1HD HYP 13 1HD HYP 13 -4.266 -5.472 -6.241
71 2HD HYP 13 2HD HYP 13 -5.429 -4.684 -5.131
72 HOD HYP 13 HOD HYP 13 -4.429 -4.406 -8.272
73 HG HYP 13 HG HYP 13 -5.419 -2.648 -6.267
74 H CYS 14 H CYS 14 -4.368 -1.529 -4.312
75 HA CYS 14 HA CYS 14 -2.373 0.320 -2.913
76 1HB CYS 14 1HB CYS 14 -4.171 1.348 -4.249
77 2HB CYS 14 2HB CYS 14 -5.426 0.646 -3.175
78 H GLY 15 H GLY 15 -2.491 -2.446 -1.988
79 1HA GLY 15 2HA GLY 15 -3.645 -2.185 0.815
80 2HA GLY 15 1HA GLY 15 -3.148 -3.664 0.068
81 H CYS 16 H CYS 16 -0.716 -2.585 -1.180
82 HA CYS 16 HA CYS 16 1.480 -2.847 0.600
83 1HB CYS 16 1HB CYS 16 0.953 -1.639 -2.151
84 2HB CYS 16 2HB CYS 16 2.439 -1.113 -1.414
85 H LYS 17 H LYS 17 2.477 -1.631 2.009
86 HA LYS 17 HA LYS 17 1.712 1.278 2.528
87 1HB LYS 17 1HB LYS 17 3.276 -0.803 4.122
88 2HB LYS 17 2HB LYS 17 3.315 0.898 4.539
89 1HG LYS 17 1HG LYS 17 0.718 -0.768 4.374
90 2HG LYS 17 2HG LYS 17 1.641 -0.495 5.848
91 1HD LYS 17 2HD LYS 17 1.311 2.048 5.536
92 2HD LYS 17 1HD LYS 17 0.292 1.694 4.152
93 1HE LYS 17 1HE LYS 17 -1.198 2.115 5.987
94 2HE LYS 17 2HE LYS 17 -1.301 0.384 5.674
95 1HZ LYS 17 1HZ LYS 17 0.225 0.032 7.567
96 2HZ LYS 17 2HZ LYS 17 -1.124 0.860 8.040
97 3HZ LYS 17 3HZ LYS 17 0.309 1.658 7.844
98 H VAL 18 H VAL 18 4.184 -0.454 0.992
99 HA VAL 18 HA VAL 18 5.830 2.024 0.628
100 HB VAL 18 HB VAL 18 8.035 0.845 1.010
101 1HG1 VAL 18 1HG2 VAL 18 8.224 1.461 3.376
102 2HG1 VAL 18 2HG2 VAL 18 7.203 2.640 2.531
103 3HG1 VAL 18 3HG2 VAL 18 6.458 1.412 3.584
104 1HG2 VAL 18 1HG1 VAL 18 8.270 -0.967 2.695
105 2HG2 VAL 18 2HG1 VAL 18 6.503 -1.158 2.786
106 3HG2 VAL 18 3HG1 VAL 18 7.374 -1.553 1.287
107 H GLY 19 H GLY 19 5.907 2.141 -1.477
108 1HA GLY 19 2HA GLY 19 6.515 1.539 -3.735
109 2HA GLY 19 1HA GLY 19 6.917 -0.079 -3.213
110 H ARG 20 H ARG 20 4.242 2.051 -4.046
111 HA ARG 20 HA ARG 20 2.386 -0.320 -4.739
112 1HB ARG 20 1HB ARG 20 1.605 2.583 -4.441
113 2HB ARG 20 2HB ARG 20 0.576 1.200 -4.566
114 1HG ARG 20 1HG ARG 20 0.319 2.074 -2.461
115 2HG ARG 20 2HG ARG 20 1.131 0.560 -2.227
116 1HD ARG 20 1HD ARG 20 3.179 1.624 -1.514
117 2HD ARG 20 2HD ARG 20 2.857 3.088 -2.455
118 HE ARG 20 HE ARG 20 0.846 2.831 -0.343
119 1HH1 ARG 20 2HH2 ARG 20 4.207 3.861 -0.885
120 2HH1 ARG 20 1HH2 ARG 20 4.098 5.029 0.525
121 1HH2 ARG 20 1HH1 ARG 20 0.846 4.173 1.271
122 2HH2 ARG 20 2HH1 ARG 20 2.320 5.192 1.663
123 HA HYP 21 HA HYP 21 1.236 1.318 -8.853
124 1HB HYP 21 1HB HYP 21 -1.316 2.349 -7.456
125 2HB HYP 21 2HB HYP 21 -1.198 1.529 -9.009
126 1HD HYP 21 1HD HYP 21 -0.069 0.421 -5.220
127 2HD HYP 21 2HD HYP 21 0.649 -0.815 -6.220
128 HOD HYP 21 HOD HYP 21 -0.033 -0.784 -8.582
129 HG HYP 21 HG HYP 21 -1.938 0.222 -6.722
130 HA HYP 22 HA HYP 22 1.913 5.831 -9.149
131 1HB HYP 22 1HB HYP 22 1.197 6.657 -11.290
132 2HB HYP 22 2HB HYP 22 -0.437 6.010 -11.108
133 1HD HYP 22 1HD HYP 22 1.169 2.498 -10.720
134 2HD HYP 22 2HD HYP 22 -0.489 3.150 -10.715
135 HOD HYP 22 HOD HYP 22 2.818 4.531 -11.011
136 HG HYP 22 HG HYP 22 0.443 4.373 -12.567
137 H TYR 23 H TYR 23 -1.522 5.088 -8.703
138 HA TYR 23 HA TYR 23 -2.159 7.778 -7.548
139 1HB TYR 23 1HB TYR 23 -4.447 6.959 -7.300
140 2HB TYR 23 2HB TYR 23 -3.881 6.698 -8.915
141 HD1 TYR 23 HD1 TYR 23 -5.083 5.037 -5.845
142 HD2 TYR 23 HD2 TYR 23 -3.334 4.306 -9.710
143 HE1 TYR 23 HE1 TYR 23 -5.600 2.648 -5.639
144 HE2 TYR 23 HE2 TYR 23 -3.842 1.920 -9.484
145 HH TYR 23 HH TYR 23 -4.698 0.324 -8.188
146 H CYS 24 H CYS 24 -1.059 4.786 -6.227
147 HA CYS 24 HA CYS 24 -2.249 5.375 -3.482
148 1HB CYS 24 1HB CYS 24 -2.755 3.120 -4.554
149 2HB CYS 24 2HB CYS 24 -1.064 2.675 -4.388
150 H ASP 25 H ASP 25 0.620 5.418 -5.182
151 HA ASP 25 HA ASP 25 2.363 5.574 -2.691
152 1HB ASP 25 1HB ASP 25 3.140 4.086 -4.739
153 2HB ASP 25 2HB ASP 25 3.470 5.580 -5.575
154 HD2 ASP 25 HD2 ASP 25 6.336 6.294 -3.743
155 H ARG 26 H ARG 26 1.136 7.459 -5.432
156 HA ARG 26 HA ARG 26 2.495 10.048 -4.526
157 1HB ARG 26 2HB ARG 26 0.277 9.528 -6.567
158 2HB ARG 26 1HB ARG 26 0.958 11.100 -6.178
159 1HG ARG 26 1HG ARG 26 3.249 10.333 -6.892
160 2HG ARG 26 2HG ARG 26 2.601 8.738 -7.279
161 1HD ARG 26 2HD ARG 26 1.031 9.828 -8.995
162 2HD ARG 26 1HD ARG 26 1.774 11.396 -8.640
163 HE ARG 26 HE ARG 26 3.931 9.581 -9.352
164 1HH1 ARG 26 2HH2 ARG 26 1.125 11.084 -10.937
165 2HH1 ARG 26 1HH2 ARG 26 1.980 11.001 -12.560
166 1HH2 ARG 26 1HH1 ARG 26 4.807 9.536 -11.247
167 2HH2 ARG 26 2HH1 ARG 26 3.925 10.182 -12.720
168 HA HYP 27 HA HYP 27 -0.992 11.758 -2.143
169 1HB HYP 27 1HB HYP 27 -1.823 13.864 -2.883
170 2HB HYP 27 2HB HYP 27 -2.130 13.301 -4.530
171 1HD HYP 27 1HD HYP 27 1.673 12.334 -4.557
172 2HD HYP 27 2HD HYP 27 0.418 12.243 -5.805
173 HOD HYP 27 HOD HYP 27 0.753 13.397 -2.419
174 HG HYP 27 HG HYP 27 -0.097 14.428 -4.928
175 H SER 28 H SER 28 -1.994 9.715 -1.903
176 HA SER 28 HA SER 28 -4.077 8.729 -3.632
177 1HB SER 28 2HB SER 28 -2.503 7.340 -2.228
178 2HB SER 28 1HB SER 28 -3.425 7.768 -0.786
179 HG SER 28 HG SER 28 -4.089 5.826 -1.741
180 H GLY 29 H GLY 29 -4.570 9.678 -0.164
181 1HA GLY 29 1HA GLY 29 -6.903 11.359 -0.657
182 2HA GLY 29 2HA GLY 29 -7.503 9.726 -0.364
183 H GLY 30 H GLY 30 -7.393 8.904 1.717
184 1HA GLY 30 2HA GLY 30 -5.825 9.944 3.953
185 2HA GLY 30 1HA GLY 30 -7.382 10.773 3.981
186 1HN NH2 31 1HN NH2 31 -9.205 9.583 4.667
187 2HN NH2 31 2HN NH2 31 -9.093 7.852 5.266
Start of MODEL 17
1 1H GLY 1 1H GLY 1 8.451 -7.355 1.804
2 2H GLY 1 2H GLY 1 7.420 -6.503 2.743
3 1HA GLY 1 1HA GLY 1 6.678 -8.681 0.861
4 2HA GLY 1 2HA GLY 1 6.749 -8.811 2.616
5 H CYS 2 H CYS 2 4.896 -7.665 -0.079
6 HA CYS 2 HA CYS 2 2.613 -6.701 1.744
7 1HB CYS 2 2HB CYS 2 3.707 -4.885 0.433
8 2HB CYS 2 1HB CYS 2 3.435 -5.739 -1.089
9 H CYS 3 H CYS 3 1.694 -7.152 -1.465
10 HA CYS 3 HA CYS 3 1.440 -10.070 -1.488
11 1HB CYS 3 1HB CYS 3 -0.515 -9.793 -0.002
12 2HB CYS 3 2HB CYS 3 -1.249 -8.634 -1.119
13 H GLY 4 H GLY 4 -0.941 -7.964 -3.089
14 1HA GLY 4 2HA GLY 4 0.420 -7.153 -5.459
15 2HA GLY 4 1HA GLY 4 0.164 -8.873 -5.733
16 HA PRO 5 HA PRO 5 -3.486 -6.183 -7.156
17 1HB PRO 5 2HB PRO 5 -3.427 -6.657 -9.902
18 2HB PRO 5 1HB PRO 5 -2.449 -5.451 -9.058
19 1HG PRO 5 1HG PRO 5 -1.624 -8.288 -9.840
20 2HG PRO 5 2HG PRO 5 -0.744 -6.773 -10.169
21 1HD PRO 5 1HD PRO 5 -0.089 -8.359 -8.019
22 2HD PRO 5 2HD PRO 5 -0.042 -6.582 -7.840
23 H TYR 6 H TYR 6 -3.111 -9.611 -7.322
24 HA TYR 6 HA TYR 6 -5.877 -10.100 -8.479
25 1HB TYR 6 1HB TYR 6 -3.681 -12.083 -7.634
26 2HB TYR 6 2HB TYR 6 -5.262 -12.552 -8.184
27 HD1 TYR 6 HD1 TYR 6 -5.976 -12.187 -10.580
28 HD2 TYR 6 HD2 TYR 6 -1.999 -11.184 -9.275
29 HE1 TYR 6 HE1 TYR 6 -5.226 -12.083 -12.918
30 HE2 TYR 6 HE2 TYR 6 -1.264 -11.080 -11.617
31 HH TYR 6 HH TYR 6 -1.850 -11.289 -13.748
32 HA HYP 7 HA HYP 7 -6.970 -9.759 -4.060
33 1HB HYP 7 1HB HYP 7 -8.707 -8.419 -4.718
34 2HB HYP 7 2HB HYP 7 -9.731 -9.748 -4.150
35 1HD HYP 7 1HD HYP 7 -8.136 -10.519 -7.958
36 2HD HYP 7 2HD HYP 7 -7.705 -8.853 -7.464
37 HOD HYP 7 HOD HYP 7 -10.353 -8.858 -7.738
38 HG HYP 7 HG HYP 7 -9.935 -10.669 -6.411
39 H ASN 8 H ASN 8 -7.303 -10.943 -2.316
40 HA ASN 8 HA ASN 8 -8.951 -13.478 -2.364
41 1HB ASN 8 1HB ASN 8 -6.042 -13.480 -1.301
42 2HB ASN 8 2HB ASN 8 -7.231 -14.715 -0.957
43 1HD2 ASN 8 1HD2 ASN 8 -4.901 -13.688 -3.238
44 2HD2 ASN 8 2HD2 ASN 8 -5.228 -15.008 -4.470
45 H ALA 9 H ALA 9 -7.004 -12.740 0.413
46 HA ALA 9 HA ALA 9 -9.403 -11.466 1.819
47 1HB ALA 9 1HB ALA 9 -8.245 -12.011 3.944
48 2HB ALA 9 2HB ALA 9 -6.892 -12.748 3.049
49 3HB ALA 9 3HB ALA 9 -8.523 -13.459 2.954
50 H ALA 10 H ALA 10 -5.933 -10.938 2.453
51 HA ALA 10 HA ALA 10 -6.242 -7.960 2.529
52 1HB ALA 10 1HB ALA 10 -3.681 -9.709 2.638
53 2HB ALA 10 2HB ALA 10 -4.639 -9.209 4.059
54 3HB ALA 10 3HB ALA 10 -3.791 -7.997 3.079
55 H CYS 11 H CYS 11 -5.519 -10.090 -0.088
56 HA CYS 11 HA CYS 11 -3.370 -8.609 -1.305
57 1HB CYS 11 1HB CYS 11 -4.188 -11.136 -1.614
58 2HB CYS 11 2HB CYS 11 -5.113 -10.481 -2.964
59 H HIS 12 H HIS 12 -3.393 -6.755 -2.239
60 HA HIS 12 HA HIS 12 -5.690 -5.758 -3.973
61 1HB HIS 12 2HB HIS 12 -4.556 -4.306 -1.481
62 2HB HIS 12 1HB HIS 12 -5.455 -3.461 -2.706
63 HD1 HIS 12 HD1 HIS 12 -8.118 -4.787 -3.207
64 HD2 HIS 12 HD2 HIS 12 -6.058 -4.995 0.560
65 HE1 HIS 12 HE1 HIS 12 -9.763 -5.364 -1.311
66 HE2 HIS 12 HE2 HIS 12 -8.624 -5.514 0.997
67 HA HYP 13 HA HYP 13 -2.302 -4.039 -6.567
68 1HB HYP 13 1HB HYP 13 -4.026 -1.530 -6.715
69 2HB HYP 13 2HB HYP 13 -3.178 -2.367 -8.007
70 1HD HYP 13 1HD HYP 13 -5.809 -4.978 -6.047
71 2HD HYP 13 2HD HYP 13 -5.970 -3.362 -5.305
72 HOD HYP 13 HOD HYP 13 -4.135 -4.870 -8.004
73 HG HYP 13 HG HYP 13 -5.891 -2.678 -7.583
74 H CYS 14 H CYS 14 -3.645 -1.527 -4.341
75 HA CYS 14 HA CYS 14 -0.823 -1.055 -3.303
76 1HB CYS 14 2HB CYS 14 -1.526 0.974 -4.520
77 2HB CYS 14 1HB CYS 14 -2.982 1.134 -3.570
78 H GLY 15 H GLY 15 -1.880 -3.094 -2.253
79 1HA GLY 15 2HA GLY 15 -3.368 -2.521 0.308
80 2HA GLY 15 1HA GLY 15 -2.577 -4.023 -0.123
81 H CYS 16 H CYS 16 -0.150 -2.096 -0.713
82 HA CYS 16 HA CYS 16 1.404 -2.705 1.609
83 1HB CYS 16 2HB CYS 16 2.070 -0.878 -0.832
84 2HB CYS 16 1HB CYS 16 3.195 -1.908 0.078
85 H LYS 17 H LYS 17 3.123 -1.235 2.331
86 HA LYS 17 HA LYS 17 2.168 1.449 3.426
87 1HB LYS 17 2HB LYS 17 4.647 -0.260 3.983
88 2HB LYS 17 1HB LYS 17 4.397 1.369 4.617
89 1HG LYS 17 2HG LYS 17 2.241 0.615 5.715
90 2HG LYS 17 1HG LYS 17 2.519 -1.026 5.126
91 1HD LYS 17 1HD LYS 17 4.676 -1.145 6.444
92 2HD LYS 17 2HD LYS 17 4.429 0.509 7.013
93 1HE LYS 17 1HE LYS 17 2.284 -0.203 8.178
94 2HE LYS 17 2HE LYS 17 2.527 -1.861 7.610
95 1HZ LYS 17 1HZ LYS 17 3.359 -1.566 9.858
96 2HZ LYS 17 2HZ LYS 17 4.625 -1.919 8.857
97 3HZ LYS 17 3HZ LYS 17 4.399 -0.371 9.388
98 H VAL 18 H VAL 18 5.074 0.090 2.219
99 HA VAL 18 HA VAL 18 5.575 2.437 0.309
100 HB VAL 18 HB VAL 18 7.278 2.329 2.080
101 1HG1 VAL 18 1HG1 VAL 18 8.255 -0.370 0.947
102 2HG1 VAL 18 2HG1 VAL 18 9.047 0.605 2.208
103 3HG1 VAL 18 3HG1 VAL 18 7.470 -0.139 2.526
104 1HG2 VAL 18 1HG2 VAL 18 9.260 2.612 0.649
105 2HG2 VAL 18 2HG2 VAL 18 7.832 3.319 -0.132
106 3HG2 VAL 18 3HG2 VAL 18 8.465 1.753 -0.695
107 H GLY 19 H GLY 19 5.634 1.972 -1.780
108 1HA GLY 19 2HA GLY 19 6.253 0.642 -3.753
109 2HA GLY 19 1HA GLY 19 6.165 -0.839 -2.836
110 H ARG 20 H ARG 20 4.259 1.633 -4.441
111 HA ARG 20 HA ARG 20 2.064 -0.324 -5.105
112 1HB ARG 20 1HB ARG 20 0.315 1.209 -4.314
113 2HB ARG 20 2HB ARG 20 1.164 0.470 -3.007
114 1HG ARG 20 2HG ARG 20 1.509 3.371 -3.916
115 2HG ARG 20 1HG ARG 20 0.466 2.728 -2.637
116 1HD ARG 20 1HD ARG 20 2.428 1.926 -1.308
117 2HD ARG 20 2HD ARG 20 3.499 2.642 -2.509
118 HE ARG 20 HE ARG 20 2.948 4.856 -1.811
119 1HH1 ARG 20 2HH1 ARG 20 0.772 2.589 -0.152
120 2HH1 ARG 20 1HH1 ARG 20 0.240 3.913 1.002
121 1HH2 ARG 20 1HH2 ARG 20 2.333 6.271 -0.378
122 2HH2 ARG 20 2HH2 ARG 20 1.065 5.854 0.881
123 HA HYP 21 HA HYP 21 1.174 1.870 -8.959
124 1HB HYP 21 1HB HYP 21 -1.276 1.902 -9.289
125 2HB HYP 21 2HB HYP 21 -1.567 2.231 -7.574
126 1HD HYP 21 1HD HYP 21 0.828 -0.813 -7.056
127 2HD HYP 21 2HD HYP 21 -0.214 -0.044 -5.859
128 HOD HYP 21 HOD HYP 21 0.278 -0.246 -9.381
129 HG HYP 21 HG HYP 21 -1.880 -0.102 -7.534
130 HA HYP 22 HA HYP 22 1.614 6.341 -8.677
131 1HB HYP 22 1HB HYP 22 0.948 7.404 -10.732
132 2HB HYP 22 2HB HYP 22 -0.588 6.536 -10.810
133 1HD HYP 22 1HD HYP 22 -0.247 3.628 -10.802
134 2HD HYP 22 2HD HYP 22 1.484 3.260 -10.573
135 HOD HYP 22 HOD HYP 22 2.812 5.477 -10.460
136 HG HYP 22 HG HYP 22 0.681 5.216 -12.324
137 H TYR 23 H TYR 23 -1.867 5.513 -8.642
138 HA TYR 23 HA TYR 23 -2.765 8.115 -7.563
139 1HB TYR 23 2HB TYR 23 -4.967 7.064 -7.306
140 2HB TYR 23 1HB TYR 23 -4.313 6.786 -8.883
141 HD1 TYR 23 HD1 TYR 23 -3.695 4.461 -9.624
142 HD2 TYR 23 HD2 TYR 23 -5.231 5.134 -5.660
143 HE1 TYR 23 HE1 TYR 23 -3.973 2.043 -9.313
144 HE2 TYR 23 HE2 TYR 23 -5.477 2.710 -5.353
145 HH TYR 23 HH TYR 23 -4.597 0.417 -7.935
146 H CYS 24 H CYS 24 -1.460 5.346 -5.958
147 HA CYS 24 HA CYS 24 -2.907 5.765 -3.360
148 1HB CYS 24 1HB CYS 24 -2.582 3.472 -4.369
149 2HB CYS 24 2HB CYS 24 -0.842 3.615 -4.220
150 H ASP 25 H ASP 25 0.068 6.478 -4.766
151 HA ASP 25 HA ASP 25 1.337 7.404 -2.158
152 1HB ASP 25 2HB ASP 25 2.748 5.963 -3.800
153 2HB ASP 25 1HB ASP 25 2.702 7.293 -4.937
154 HD2 ASP 25 HD2 ASP 25 5.069 9.195 -3.274
155 H ARG 26 H ARG 26 -0.036 8.547 -5.195
156 HA ARG 26 HA ARG 26 0.406 11.502 -4.405
157 1HB ARG 26 2HB ARG 26 -0.561 10.159 -6.985
158 2HB ARG 26 1HB ARG 26 -1.021 11.779 -6.586
159 1HG ARG 26 2HG ARG 26 0.937 11.752 -8.091
160 2HG ARG 26 1HG ARG 26 1.196 12.644 -6.614
161 1HD ARG 26 1HD ARG 26 3.238 11.535 -7.146
162 2HD ARG 26 2HD ARG 26 2.618 10.797 -5.676
163 HE ARG 26 HE ARG 26 1.723 9.119 -7.867
164 1HH1 ARG 26 1HH1 ARG 26 4.824 10.089 -6.424
165 2HH1 ARG 26 2HH1 ARG 26 5.583 8.505 -6.955
166 1HH2 ARG 26 2HH2 ARG 26 2.690 7.352 -8.421
167 2HH2 ARG 26 1HH2 ARG 26 4.454 7.063 -8.009
168 HA HYP 27 HA HYP 27 -3.799 12.118 -3.037
169 1HB HYP 27 1HB HYP 27 -4.116 14.107 -4.107
170 2HB HYP 27 2HB HYP 27 -5.480 13.316 -4.907
171 1HD HYP 27 1HD HYP 27 -1.564 13.486 -5.393
172 2HD HYP 27 2HD HYP 27 -1.824 12.278 -6.678
173 HOD HYP 27 HOD HYP 27 -4.401 15.040 -6.648
174 HG HYP 27 HG HYP 27 -4.163 12.779 -6.869
175 H SER 28 H SER 28 -4.181 9.893 -2.673
176 HA SER 28 HA SER 28 -5.653 8.175 -4.435
177 1HB SER 28 2HB SER 28 -4.100 7.492 -2.529
178 2HB SER 28 1HB SER 28 -5.405 7.814 -1.391
179 HG SER 28 HG SER 28 -6.684 6.332 -2.602
180 H GLY 29 H GLY 29 -7.006 9.513 -1.343
181 1HA GLY 29 2HA GLY 29 -9.545 10.364 -2.499
182 2HA GLY 29 1HA GLY 29 -9.771 8.707 -1.938
183 H GLY 30 H GLY 30 -9.817 8.317 0.269
184 1HA GLY 30 2HA GLY 30 -10.323 10.697 2.090
185 2HA GLY 30 1HA GLY 30 -10.747 9.032 2.418
186 1HN NH2 31 1HN NH2 31 -9.245 7.738 3.537
187 2HN NH2 31 2HN NH2 31 -7.637 8.379 4.145
Start of MODEL 18
1 1H GLY 1 1H GLY 1 -0.172 -7.225 -7.987
2 2H GLY 1 2H GLY 1 -1.344 -6.333 -7.280
3 1HA GLY 1 2HA GLY 1 1.206 -5.252 -8.349
4 2HA GLY 1 1HA GLY 1 -0.047 -4.278 -7.594
5 H CYS 2 H CYS 2 -0.667 -4.992 -5.339
6 HA CYS 2 HA CYS 2 1.774 -5.880 -3.693
7 1HB CYS 2 2HB CYS 2 1.468 -3.442 -3.523
8 2HB CYS 2 1HB CYS 2 -0.199 -3.659 -2.958
9 H CYS 3 H CYS 3 0.599 -8.037 -4.037
10 HA CYS 3 HA CYS 3 -1.816 -8.531 -2.237
11 1HB CYS 3 2HB CYS 3 -0.848 -10.323 -4.540
12 2HB CYS 3 1HB CYS 3 -2.061 -10.728 -3.301
13 H GLY 4 H GLY 4 0.076 -7.859 -0.880
14 1HA GLY 4 1HA GLY 4 2.525 -9.306 -0.495
15 2HA GLY 4 2HA GLY 4 1.782 -8.152 0.472
16 HA PRO 5 HA PRO 5 2.195 -11.790 3.502
17 1HB PRO 5 2HB PRO 5 0.451 -9.667 4.900
18 2HB PRO 5 1HB PRO 5 1.658 -10.742 5.635
19 1HG PRO 5 2HG PRO 5 2.291 -8.170 4.921
20 2HG PRO 5 1HG PRO 5 3.475 -9.483 4.731
21 1HD PRO 5 2HD PRO 5 2.028 -8.024 2.527
22 2HD PRO 5 1HD PRO 5 3.477 -9.028 2.447
23 H TYR 6 H TYR 6 -0.921 -10.425 2.532
24 HA TYR 6 HA TYR 6 -2.216 -13.186 2.979
25 1HB TYR 6 1HB TYR 6 -3.667 -10.482 3.068
26 2HB TYR 6 2HB TYR 6 -4.418 -12.051 3.132
27 HD1 TYR 6 HD1 TYR 6 -3.911 -13.611 5.165
28 HD2 TYR 6 HD2 TYR 6 -2.691 -9.485 5.089
29 HE1 TYR 6 HE1 TYR 6 -3.557 -13.661 7.598
30 HE2 TYR 6 HE2 TYR 6 -2.340 -9.547 7.515
31 HH TYR 6 HH TYR 6 -2.426 -10.778 9.365
32 HA HYP 7 HA HYP 7 -1.951 -12.028 -1.573
33 1HB HYP 7 1HB HYP 7 0.123 -13.144 -1.537
34 2HB HYP 7 2HB HYP 7 -0.752 -14.265 -2.590
35 1HD HYP 7 1HD HYP 7 -1.638 -14.902 1.439
36 2HD HYP 7 2HD HYP 7 -0.243 -13.789 1.336
37 HOD HYP 7 HOD HYP 7 0.962 -15.750 -1.215
38 HG HYP 7 HG HYP 7 -1.271 -15.767 -0.733
39 H ASN 8 H ASN 8 -4.392 -12.993 -0.398
40 HA ASN 8 HA ASN 8 -5.945 -14.027 -2.684
41 1HB ASN 8 2HB ASN 8 -6.622 -16.250 -1.812
42 2HB ASN 8 1HB ASN 8 -4.961 -16.181 -2.301
43 1HD2 ASN 8 1HD2 ASN 8 -7.026 -17.061 0.241
44 2HD2 ASN 8 2HD2 ASN 8 -5.713 -17.459 1.459
45 H ALA 9 H ALA 9 -5.901 -13.929 0.900
46 HA ALA 9 HA ALA 9 -8.805 -13.291 1.142
47 1HB ALA 9 1HB ALA 9 -6.578 -13.053 3.258
48 2HB ALA 9 2HB ALA 9 -7.642 -14.458 2.993
49 3HB ALA 9 3HB ALA 9 -8.327 -12.920 3.554
50 H ALA 10 H ALA 10 -5.826 -11.314 1.382
51 HA ALA 10 HA ALA 10 -7.498 -8.839 0.692
52 1HB ALA 10 1HB ALA 10 -5.111 -8.794 2.640
53 2HB ALA 10 2HB ALA 10 -6.058 -7.403 2.082
54 3HB ALA 10 3HB ALA 10 -6.826 -8.637 3.094
55 H CYS 11 H CYS 11 -6.680 -10.290 -1.313
56 HA CYS 11 HA CYS 11 -4.131 -9.323 -2.460
57 1HB CYS 11 2HB CYS 11 -5.196 -11.478 -3.141
58 2HB CYS 11 1HB CYS 11 -6.500 -10.602 -3.950
59 H HIS 12 H HIS 12 -3.917 -7.227 -2.726
60 HA HIS 12 HA HIS 12 -6.012 -5.510 -4.165
61 1HB HIS 12 1HB HIS 12 -4.600 -4.958 -1.465
62 2HB HIS 12 2HB HIS 12 -5.339 -3.689 -2.384
63 HD1 HIS 12 HD1 HIS 12 -8.214 -4.283 -3.004
64 HD2 HIS 12 HD2 HIS 12 -6.161 -6.026 0.343
65 HE1 HIS 12 HE1 HIS 12 -9.905 -5.134 -1.255
66 HE2 HIS 12 HE2 HIS 12 -8.773 -6.203 0.801
67 HA HYP 13 HA HYP 13 -2.066 -4.218 -6.327
68 1HB HYP 13 1HB HYP 13 -2.692 -2.754 -8.065
69 2HB HYP 13 2HB HYP 13 -3.700 -1.757 -7.013
70 1HD HYP 13 1HD HYP 13 -5.905 -3.493 -5.792
71 2HD HYP 13 2HD HYP 13 -5.671 -5.160 -6.391
72 HOD HYP 13 HOD HYP 13 -3.650 -5.203 -8.006
73 HG HYP 13 HG HYP 13 -5.433 -2.992 -8.085
74 H CYS 14 H CYS 14 -3.881 -1.997 -4.225
75 HA CYS 14 HA CYS 14 -1.269 -0.805 -3.187
76 1HB CYS 14 1HB CYS 14 -2.034 1.108 -4.111
77 2HB CYS 14 2HB CYS 14 -3.736 0.586 -4.256
78 H GLY 15 H GLY 15 -1.944 -3.186 -2.003
79 1HA GLY 15 1HA GLY 15 -3.219 -2.375 0.664
80 2HA GLY 15 2HA GLY 15 -2.742 -3.970 0.198
81 H CYS 16 H CYS 16 -0.402 -1.596 -0.639
82 HA CYS 16 HA CYS 16 1.618 -2.491 1.373
83 1HB CYS 16 1HB CYS 16 1.560 -1.068 -1.362
84 2HB CYS 16 2HB CYS 16 2.933 -0.736 -0.385
85 H LYS 17 H LYS 17 3.111 -1.077 2.229
86 HA LYS 17 HA LYS 17 2.146 1.613 3.294
87 1HB LYS 17 2HB LYS 17 3.084 -0.085 4.890
88 2HB LYS 17 1HB LYS 17 4.607 -0.068 3.993
89 1HG LYS 17 1HG LYS 17 4.805 2.420 4.405
90 2HG LYS 17 2HG LYS 17 3.313 2.407 5.329
91 1HD LYS 17 1HD LYS 17 5.859 0.816 6.084
92 2HD LYS 17 2HD LYS 17 5.481 2.426 6.679
93 1HE LYS 17 2HE LYS 17 3.370 1.557 7.789
94 2HE LYS 17 1HE LYS 17 3.743 -0.077 7.220
95 1HZ LYS 17 1HZ LYS 17 5.472 1.537 9.033
96 2HZ LYS 17 2HZ LYS 17 4.514 0.267 9.480
97 3HZ LYS 17 3HZ LYS 17 5.820 0.013 8.499
98 H VAL 18 H VAL 18 4.970 0.116 2.021
99 HA VAL 18 HA VAL 18 5.630 2.478 0.209
100 HB VAL 18 HB VAL 18 8.045 1.928 0.267
101 1HG1 VAL 18 1HG1 VAL 18 7.155 3.863 1.553
102 2HG1 VAL 18 2HG1 VAL 18 8.586 3.162 2.335
103 3HG1 VAL 18 3HG1 VAL 18 6.964 2.840 2.997
104 1HG2 VAL 18 1HG2 VAL 18 8.082 -0.398 1.184
105 2HG2 VAL 18 2HG2 VAL 18 9.119 0.687 2.125
106 3HG2 VAL 18 3HG2 VAL 18 7.532 0.199 2.767
107 H GLY 19 H GLY 19 5.989 1.987 -1.872
108 1HA GLY 19 1HA GLY 19 6.514 0.600 -3.816
109 2HA GLY 19 2HA GLY 19 6.420 -0.853 -2.852
110 H ARG 20 H ARG 20 4.489 1.644 -4.416
111 HA ARG 20 HA ARG 20 2.204 -0.258 -4.964
112 1HB ARG 20 1HB ARG 20 0.565 1.244 -3.986
113 2HB ARG 20 2HB ARG 20 1.549 0.520 -2.793
114 1HG ARG 20 2HG ARG 20 1.557 3.417 -3.686
115 2HG ARG 20 1HG ARG 20 0.977 2.680 -2.177
116 1HD ARG 20 1HD ARG 20 3.361 2.121 -1.537
117 2HD ARG 20 2HD ARG 20 3.906 3.049 -2.956
118 HE ARG 20 HE ARG 20 2.008 4.540 -1.190
119 1HH1 ARG 20 2HH1 ARG 20 5.455 3.858 -1.750
120 2HH1 ARG 20 1HH1 ARG 20 5.924 5.378 -0.834
121 1HH2 ARG 20 1HH2 ARG 20 2.665 6.243 -0.150
122 2HH2 ARG 20 2HH2 ARG 20 4.451 6.634 0.009
123 HA HYP 21 HA HYP 21 1.147 1.775 -8.777
124 1HB HYP 21 1HB HYP 21 -1.301 1.900 -9.000
125 2HB HYP 21 2HB HYP 21 -1.501 2.434 -7.325
126 1HD HYP 21 1HD HYP 21 0.737 -0.701 -6.637
127 2HD HYP 21 2HD HYP 21 -0.172 0.222 -5.432
128 HOD HYP 21 HOD HYP 21 -0.824 -1.437 -8.163
129 HG HYP 21 HG HYP 21 -1.955 0.160 -6.991
130 HA HYP 22 HA HYP 22 1.569 6.336 -8.891
131 1HB HYP 22 1HB HYP 22 -0.755 6.300 -10.890
132 2HB HYP 22 2HB HYP 22 0.782 7.173 -10.987
133 1HD HYP 22 1HD HYP 22 1.386 3.072 -10.546
134 2HD HYP 22 2HD HYP 22 -0.365 3.405 -10.654
135 HOD HYP 22 HOD HYP 22 2.609 4.372 -12.007
136 HG HYP 22 HG HYP 22 0.414 4.867 -12.375
137 H TYR 23 H TYR 23 -1.794 5.254 -8.454
138 HA TYR 23 HA TYR 23 -2.732 7.856 -7.329
139 1HB TYR 23 2HB TYR 23 -4.853 6.766 -6.901
140 2HB TYR 23 1HB TYR 23 -4.341 6.492 -8.528
141 HD1 TYR 23 HD1 TYR 23 -5.091 4.857 -5.285
142 HD2 TYR 23 HD2 TYR 23 -3.714 4.154 -9.302
143 HE1 TYR 23 HE1 TYR 23 -5.477 2.444 -5.004
144 HE2 TYR 23 HE2 TYR 23 -4.116 1.743 -9.005
145 HH TYR 23 HH TYR 23 -5.357 0.436 -5.935
146 H CYS 24 H CYS 24 -1.187 5.114 -5.939
147 HA CYS 24 HA CYS 24 -1.997 5.820 -3.090
148 1HB CYS 24 2HB CYS 24 -1.014 3.147 -4.338
149 2HB CYS 24 1HB CYS 24 -0.965 3.379 -2.649
150 H ASP 25 H ASP 25 0.534 5.960 -5.270
151 HA ASP 25 HA ASP 25 2.638 6.558 -3.153
152 1HB ASP 25 2HB ASP 25 3.189 5.001 -5.161
153 2HB ASP 25 1HB ASP 25 3.065 6.396 -6.208
154 HD2 ASP 25 HD2 ASP 25 4.870 4.627 -4.166
155 H ARG 26 H ARG 26 0.719 8.091 -5.716
156 HA ARG 26 HA ARG 26 1.906 10.820 -5.352
157 1HB ARG 26 2HB ARG 26 0.756 10.072 -7.448
158 2HB ARG 26 1HB ARG 26 -0.770 9.971 -6.557
159 1HG ARG 26 2HG ARG 26 -0.590 12.415 -5.979
160 2HG ARG 26 1HG ARG 26 0.914 12.546 -6.876
161 1HD ARG 26 1HD ARG 26 -1.797 11.713 -8.129
162 2HD ARG 26 2HD ARG 26 -1.214 13.377 -8.058
163 HE ARG 26 HE ARG 26 0.863 11.837 -9.379
164 1HH1 ARG 26 2HH1 ARG 26 -2.476 12.878 -10.025
165 2HH1 ARG 26 1HH1 ARG 26 -2.155 12.837 -11.831
166 1HH2 ARG 26 1HH2 ARG 26 1.116 11.825 -11.452
167 2HH2 ARG 26 2HH2 ARG 26 -0.256 12.280 -12.582
168 HA HYP 27 HA HYP 27 0.084 11.710 -1.377
169 1HB HYP 27 1HB HYP 27 -0.886 14.399 -2.491
170 2HB HYP 27 2HB HYP 27 -0.054 14.059 -0.963
171 1HD HYP 27 1HD HYP 27 0.735 13.450 -4.827
172 2HD HYP 27 2HD HYP 27 2.129 12.564 -4.162
173 HOD HYP 27 HOD HYP 27 3.092 13.717 -2.426
174 HG HYP 27 HG HYP 27 1.329 14.988 -3.112
175 H SER 28 H SER 28 -1.518 10.364 -0.966
176 HA SER 28 HA SER 28 -4.171 10.469 -2.139
177 1HB SER 28 1HB SER 28 -3.084 8.679 0.095
178 2HB SER 28 2HB SER 28 -4.639 8.472 -0.716
179 HG SER 28 HG SER 28 -3.514 8.347 -2.696
180 H GLY 29 H GLY 29 -5.363 12.409 -1.421
181 1HA GLY 29 1HA GLY 29 -6.787 12.220 1.133
182 2HA GLY 29 2HA GLY 29 -5.485 13.400 1.286
183 H GLY 30 H GLY 30 -5.669 15.350 0.191
184 1HA GLY 30 2HA GLY 30 -7.587 15.998 -1.938
185 2HA GLY 30 1HA GLY 30 -8.333 16.395 -0.389
186 1HN NH2 31 1HN NH2 31 -5.927 17.364 -2.698
187 2HN NH2 31 2HN NH2 31 -5.411 18.888 -1.814