Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
572337 | 2m78 RC | 19176 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H GLY 1 -10.859 0.087 2.643
2 HA2 GLY 1 2HA GLY 1 -11.542 -2.163 3.019
3 HA3 GLY 1 1HA GLY 1 -12.954 -1.856 2.009
4 H PHE 2 H PHE 2 -10.306 -0.538 0.571
5 HA PHE 2 HA PHE 2 -9.892 -2.866 -1.160
6 HB2 PHE 2 2HB PHE 2 -11.040 -1.056 -2.311
7 HB3 PHE 2 1HB PHE 2 -9.839 0.102 -1.746
8 HD1 PHE 2 2HD PHE 2 -10.303 -2.875 -3.895
9 HD2 PHE 2 1HD PHE 2 -7.935 0.551 -3.038
10 HE1 PHE 2 2HE PHE 2 -9.020 -3.254 -5.952
11 HE2 PHE 2 1HE PHE 2 -6.644 0.182 -5.096
12 HZ PHE 2 HZ PHE 2 -7.181 -1.723 -6.558
13 H CYS 3 H CYS 3 -7.785 -3.421 -1.563
14 HA CYS 3 HA CYS 3 -5.794 -1.810 -0.150
15 HB2 CYS 3 2HB CYS 3 -5.674 -4.770 -0.663
16 HB3 CYS 3 1HB CYS 3 -4.504 -3.820 0.233
17 H ARG 4 H ARG 4 -4.198 -1.061 -1.161
18 HA ARG 4 HA ARG 4 -3.591 -2.000 -3.864
19 HB2 ARG 4 2HB ARG 4 -2.863 0.371 -4.359
20 HB3 ARG 4 1HB ARG 4 -4.589 0.204 -4.102
21 HG2 ARG 4 2HG ARG 4 -4.289 1.041 -1.790
22 HG3 ARG 4 1HG ARG 4 -2.577 1.270 -2.135
23 HD2 ARG 4 2HD ARG 4 -4.834 2.596 -3.643
24 HD3 ARG 4 1HD ARG 4 -3.907 3.355 -2.351
25 HE ARG 4 HE ARG 4 -2.146 2.410 -4.293
26 HH11 ARG 4 1HH1 ARG 4 -4.568 4.985 -3.906
27 HH12 ARG 4 2HH1 ARG 4 -3.823 6.050 -4.994
28 HH21 ARG 4 1HH2 ARG 4 -1.147 3.867 -5.829
29 HH22 ARG 4 2HH2 ARG 4 -1.832 5.389 -6.134
30 H CYS 5 H CYS 5 -1.344 -2.219 -4.288
31 HA CYS 5 HA CYS 5 0.090 -2.179 -1.797
32 HB2 CYS 5 2HB CYS 5 0.494 -4.044 -4.124
33 HB3 CYS 5 1HB CYS 5 1.382 -4.082 -2.606
34 H LEU 6 H LEU 6 2.364 -1.750 -1.834
35 HA LEU 6 HA LEU 6 3.303 -0.418 -4.236
36 HB2 LEU 6 2HB LEU 6 4.077 1.517 -3.061
37 HB3 LEU 6 1HB LEU 6 2.352 1.364 -2.848
38 HG LEU 6 HG LEU 6 4.341 0.510 -0.729
39 HD11 LEU 6 1HD1 LEU 6 4.678 2.869 -1.259
40 HD12 LEU 6 2HD1 LEU 6 3.946 2.655 0.326
41 HD13 LEU 6 3HD1 LEU 6 2.950 3.161 -1.040
42 HD21 LEU 6 3HD2 LEU 6 1.410 1.257 -0.583
43 HD22 LEU 6 1HD2 LEU 6 2.433 0.808 0.781
44 HD23 LEU 6 2HD2 LEU 6 2.063 -0.376 -0.476
45 H CYS 7 H CYS 7 5.528 -0.197 -4.341
46 HA CYS 7 HA CYS 7 6.991 -1.666 -2.322
47 HB2 CYS 7 2HB CYS 7 7.534 -1.629 -5.305
48 HB3 CYS 7 1HB CYS 7 8.624 -2.320 -4.107
49 H ARG 8 H ARG 8 8.157 -0.407 -1.239
50 HA ARG 8 HA ARG 8 9.023 2.126 -2.399
51 HB2 ARG 8 2HB ARG 8 7.373 2.346 -0.638
52 HB3 ARG 8 1HB ARG 8 8.269 1.270 0.402
53 HG2 ARG 8 2HG ARG 8 9.480 3.870 -0.422
54 HG3 ARG 8 1HG ARG 8 8.222 3.845 0.812
55 HD2 ARG 8 2HD ARG 8 10.881 2.434 0.856
56 HD3 ARG 8 1HD ARG 8 10.358 3.757 1.901
57 HE ARG 8 HE ARG 8 9.302 1.009 1.944
58 HH11 ARG 8 1HH1 ARG 8 9.863 4.072 3.657
59 HH12 ARG 8 2HH1 ARG 8 9.415 3.440 5.164
60 HH21 ARG 8 1HH2 ARG 8 8.702 0.178 3.966
61 HH22 ARG 8 2HH2 ARG 8 8.723 1.175 5.363
62 H ARG 9 H ARG 9 10.974 1.644 -3.211
63 HA ARG 9 HA ARG 9 13.180 1.240 -3.371
64 HB2 ARG 9 2HB ARG 9 13.260 2.874 -1.474
65 HB3 ARG 9 1HB ARG 9 13.199 1.531 -0.349
66 HG2 ARG 9 2HG ARG 9 15.384 0.766 -1.160
67 HG3 ARG 9 1HG ARG 9 15.432 2.114 -2.300
68 HD2 ARG 9 2HD ARG 9 15.399 3.695 -0.456
69 HD3 ARG 9 1HD ARG 9 15.259 2.373 0.700
70 HE ARG 9 HE ARG 9 17.528 1.930 -0.827
71 HH11 ARG 9 1HH1 ARG 9 16.392 4.310 1.546
72 HH12 ARG 9 2HH1 ARG 9 17.935 4.642 2.166
73 HH21 ARG 9 1HH2 ARG 9 19.676 2.387 0.049
74 HH22 ARG 9 2HH2 ARG 9 19.823 3.549 1.287
75 H GLY 10 H GLY 10 11.456 -0.944 -3.271
76 HA2 GLY 10 2HA GLY 10 11.990 -3.230 -3.556
77 HA3 GLY 10 1HA GLY 10 13.310 -3.042 -2.411
78 H ASP 11 H ASP 11 11.216 -1.488 -0.761
79 HA ASP 11 HA ASP 11 10.400 -3.779 0.799
80 HB2 ASP 11 2HB ASP 11 11.339 -1.903 2.004
81 HB3 ASP 11 1HB ASP 11 10.202 -0.796 1.258
82 H CYS 12 H CYS 12 8.761 -4.775 -0.230
83 HA CYS 12 HA CYS 12 6.511 -3.198 -1.168
84 HB2 CYS 12 2HB CYS 12 6.949 -6.155 -1.336
85 HB3 CYS 12 1HB CYS 12 5.690 -5.239 -2.140
86 H ARG 13 H ARG 13 4.701 -3.103 -0.375
87 HA ARG 13 HA ARG 13 3.690 -4.867 1.648
88 HB2 ARG 13 2HB ARG 13 3.395 -3.148 3.392
89 HB3 ARG 13 1HB ARG 13 5.092 -3.450 3.061
90 HG2 ARG 13 2HG ARG 13 5.146 -1.388 1.690
91 HG3 ARG 13 1HG ARG 13 3.464 -1.077 2.154
92 HD2 ARG 13 2HD ARG 13 5.002 0.172 3.584
93 HD3 ARG 13 1HD ARG 13 4.133 -1.058 4.511
94 HE ARG 13 HE ARG 13 6.891 -1.417 3.515
95 HH11 ARG 13 1HH1 ARG 13 4.577 -1.632 6.185
96 HH12 ARG 13 2HH1 ARG 13 5.621 -2.497 7.197
97 HH21 ARG 13 1HH2 ARG 13 8.296 -2.614 4.853
98 HH22 ARG 13 2HH2 ARG 13 7.836 -3.065 6.435
99 H CYS 14 H CYS 14 1.431 -4.056 2.333
100 HA CYS 14 HA CYS 14 0.387 -2.614 0.063
101 HB2 CYS 14 2HB CYS 14 -1.002 -4.837 1.563
102 HB3 CYS 14 1HB CYS 14 -1.692 -3.924 0.232
103 H ILE 15 H ILE 15 -1.322 -1.194 0.364
104 HA ILE 15 HA ILE 15 -1.857 -0.541 3.164
105 HB ILE 15 HB ILE 15 -0.409 1.188 2.210
106 HG12 ILE 15 2HG1 ILE 15 -3.247 2.205 2.538
107 HG13 ILE 15 1HG1 ILE 15 -2.112 1.897 3.841
108 HG21 ILE 15 1HG2 ILE 15 -0.891 0.940 -0.140
109 HG22 ILE 15 2HG2 ILE 15 -1.113 2.620 0.339
110 HG23 ILE 15 3HG2 ILE 15 -2.517 1.578 0.095
111 HD11 ILE 15 3HD1 ILE 15 -0.667 3.687 3.001
112 HD12 ILE 15 1HD1 ILE 15 -2.291 4.271 3.360
113 HD13 ILE 15 2HD1 ILE 15 -1.807 3.984 1.691
114 H CYS 16 H CYS 16 -3.969 -0.280 3.717
115 HA CYS 16 HA CYS 16 -5.881 -0.705 1.542
116 HB2 CYS 16 2HB CYS 16 -6.153 -1.566 4.410
117 HB3 CYS 16 1HB CYS 16 -7.280 -1.905 3.109
118 H THR 17 H THR 17 -7.646 0.450 1.424
119 HA THR 17 HA THR 17 -8.549 2.150 3.496
120 HB THR 17 HB THR 17 -6.857 3.636 2.657
121 HG1 THR 17 1HG THR 17 -8.171 5.247 2.706
122 HG21 THR 17 3HG2 THR 17 -8.043 3.258 -0.103
123 HG22 THR 17 1HG2 THR 17 -6.464 2.683 0.432
124 HG23 THR 17 2HG2 THR 17 -6.775 4.414 0.304
125 H ARG 18 H ARG 18 -10.624 2.700 3.161
126 HA ARG 18 HA ARG 18 -12.764 2.583 2.420
127 HB2 ARG 18 2HB ARG 18 -11.858 3.771 0.425
128 HB3 ARG 18 1HB ARG 18 -11.525 2.223 -0.330
129 HG2 ARG 18 2HG ARG 18 -13.937 1.737 -0.118
130 HG3 ARG 18 1HG ARG 18 -14.196 3.420 0.312
131 HD2 ARG 18 2HD ARG 18 -13.101 4.113 -1.800
132 HD3 ARG 18 1HD ARG 18 -12.956 2.421 -2.262
133 HE ARG 18 HE ARG 18 -15.602 2.833 -1.686
134 HH11 ARG 18 1HH1 ARG 18 -13.309 3.992 -4.099
135 HH12 ARG 18 2HH1 ARG 18 -14.513 4.397 -5.247
136 HH21 ARG 18 1HH2 ARG 18 -17.230 3.386 -3.252
137 HH22 ARG 18 2HH2 ARG 18 -16.770 4.069 -4.760
Start of MODEL 2
1 H1 GLY 1 H GLY 1 -10.460 -0.006 3.313
2 HA2 GLY 1 2HA GLY 1 -11.043 -2.274 3.257
3 HA3 GLY 1 1HA GLY 1 -12.424 -1.876 2.254
4 H PHE 2 H PHE 2 -10.390 -0.287 0.554
5 HA PHE 2 HA PHE 2 -9.812 -2.522 -1.212
6 HB2 PHE 2 2HB PHE 2 -10.891 -0.586 -2.207
7 HB3 PHE 2 1HB PHE 2 -9.628 0.476 -1.582
8 HD1 PHE 2 2HD PHE 2 -10.234 -2.339 -3.916
9 HD2 PHE 2 1HD PHE 2 -7.736 0.933 -2.866
10 HE1 PHE 2 2HE PHE 2 -8.973 -2.634 -6.009
11 HE2 PHE 2 1HE PHE 2 -6.471 0.642 -4.949
12 HZ PHE 2 HZ PHE 2 -7.095 -1.144 -6.525
13 H CYS 3 H CYS 3 -7.774 -3.180 -1.678
14 HA CYS 3 HA CYS 3 -5.610 -1.741 -0.309
15 HB2 CYS 3 2HB CYS 3 -5.802 -4.733 -0.533
16 HB3 CYS 3 1HB CYS 3 -4.569 -3.820 0.310
17 H ARG 4 H ARG 4 -4.004 -1.251 -1.489
18 HA ARG 4 HA ARG 4 -3.501 -2.798 -3.896
19 HB2 ARG 4 2HB ARG 4 -2.851 -0.737 -5.149
20 HB3 ARG 4 1HB ARG 4 -4.546 -0.776 -4.728
21 HG2 ARG 4 2HG ARG 4 -3.967 1.438 -4.383
22 HG3 ARG 4 1HG ARG 4 -3.852 0.766 -2.763
23 HD2 ARG 4 2HD ARG 4 -1.427 0.645 -2.961
24 HD3 ARG 4 1HD ARG 4 -1.524 1.180 -4.644
25 HE ARG 4 HE ARG 4 -2.805 3.038 -3.001
26 HH11 ARG 4 1HH1 ARG 4 0.488 2.096 -3.951
27 HH12 ARG 4 2HH1 ARG 4 1.172 3.589 -3.456
28 HH21 ARG 4 1HH2 ARG 4 -1.827 5.068 -2.407
29 HH22 ARG 4 2HH2 ARG 4 -0.145 5.278 -2.596
30 H CYS 5 H CYS 5 -1.306 -3.047 -4.451
31 HA CYS 5 HA CYS 5 0.223 -2.611 -2.051
32 HB2 CYS 5 2HB CYS 5 0.739 -4.659 -4.176
33 HB3 CYS 5 1HB CYS 5 1.555 -4.524 -2.626
34 H LEU 6 H LEU 6 2.220 -1.910 -2.017
35 HA LEU 6 HA LEU 6 3.162 -0.499 -4.433
36 HB2 LEU 6 2HB LEU 6 2.002 1.067 -2.963
37 HB3 LEU 6 1HB LEU 6 2.956 0.527 -1.605
38 HG LEU 6 HG LEU 6 4.989 1.414 -2.800
39 HD11 LEU 6 1HD1 LEU 6 4.125 1.495 -5.054
40 HD12 LEU 6 2HD1 LEU 6 4.655 3.093 -4.529
41 HD13 LEU 6 3HD1 LEU 6 2.935 2.706 -4.573
42 HD21 LEU 6 3HD2 LEU 6 2.805 3.339 -2.033
43 HD22 LEU 6 1HD2 LEU 6 4.515 3.755 -2.187
44 HD23 LEU 6 2HD2 LEU 6 3.992 2.606 -0.958
45 H CYS 7 H CYS 7 5.346 -0.637 -4.724
46 HA CYS 7 HA CYS 7 6.915 -1.777 -2.537
47 HB2 CYS 7 2HB CYS 7 7.604 -1.623 -5.488
48 HB3 CYS 7 1HB CYS 7 8.564 -2.381 -4.209
49 H ARG 8 H ARG 8 7.840 -0.464 -1.367
50 HA ARG 8 HA ARG 8 8.661 2.138 -2.461
51 HB2 ARG 8 2HB ARG 8 6.658 2.069 -0.895
52 HB3 ARG 8 1HB ARG 8 7.752 1.517 0.354
53 HG2 ARG 8 2HG ARG 8 8.963 3.607 0.264
54 HG3 ARG 8 1HG ARG 8 7.956 4.162 -1.081
55 HD2 ARG 8 2HD ARG 8 5.959 3.882 0.401
56 HD3 ARG 8 1HD ARG 8 7.056 3.539 1.729
57 HE ARG 8 HE ARG 8 7.776 5.983 0.604
58 HH11 ARG 8 1HH1 ARG 8 5.210 4.535 2.589
59 HH12 ARG 8 2HH1 ARG 8 4.628 6.015 3.184
60 HH21 ARG 8 1HH2 ARG 8 6.980 8.011 1.443
61 HH22 ARG 8 2HH2 ARG 8 5.659 8.062 2.521
62 H ARG 9 H ARG 9 10.775 2.015 -2.688
63 HA ARG 9 HA ARG 9 12.944 1.628 -2.418
64 HB2 ARG 9 2HB ARG 9 12.572 3.290 -0.564
65 HB3 ARG 9 1HB ARG 9 12.370 1.947 0.550
66 HG2 ARG 9 2HG ARG 9 14.673 1.240 0.123
67 HG3 ARG 9 1HG ARG 9 14.869 2.565 -1.018
68 HD2 ARG 9 2HD ARG 9 14.235 2.885 1.911
69 HD3 ARG 9 1HD ARG 9 15.843 3.023 1.208
70 HE ARG 9 HE ARG 9 14.126 4.767 -0.129
71 HH11 ARG 9 1HH1 ARG 9 15.724 4.387 3.004
72 HH12 ARG 9 2HH1 ARG 9 15.677 6.031 3.408
73 HH21 ARG 9 1HH2 ARG 9 14.073 7.077 0.422
74 HH22 ARG 9 2HH2 ARG 9 14.743 7.594 1.905
75 H GLY 10 H GLY 10 11.574 -0.596 -2.830
76 HA2 GLY 10 2HA GLY 10 12.402 -2.775 -3.023
77 HA3 GLY 10 1HA GLY 10 13.290 -2.542 -1.527
78 H ASP 11 H ASP 11 10.756 -1.427 -0.234
79 HA ASP 11 HA ASP 11 9.910 -4.091 0.581
80 HB2 ASP 11 2HB ASP 11 10.535 -2.492 2.350
81 HB3 ASP 11 1HB ASP 11 9.244 -1.415 1.822
82 H CYS 12 H CYS 12 8.288 -4.950 -0.459
83 HA CYS 12 HA CYS 12 6.172 -3.202 -1.426
84 HB2 CYS 12 2HB CYS 12 6.332 -6.166 -1.650
85 HB3 CYS 12 1HB CYS 12 5.291 -5.101 -2.562
86 H ARG 13 H ARG 13 4.594 -2.807 -0.467
87 HA ARG 13 HA ARG 13 3.709 -4.389 1.849
88 HB2 ARG 13 2HB ARG 13 5.207 -2.380 2.411
89 HB3 ARG 13 1HB ARG 13 3.912 -1.375 1.797
90 HG2 ARG 13 2HG ARG 13 3.791 -1.451 4.194
91 HG3 ARG 13 1HG ARG 13 2.408 -2.320 3.520
92 HD2 ARG 13 2HD ARG 13 3.464 -3.489 5.437
93 HD3 ARG 13 1HD ARG 13 3.475 -4.447 3.961
94 HE ARG 13 HE ARG 13 5.887 -3.324 3.827
95 HH11 ARG 13 1HH1 ARG 13 4.310 -4.910 6.574
96 HH12 ARG 13 2HH1 ARG 13 5.768 -5.387 7.293
97 HH21 ARG 13 1HH2 ARG 13 7.819 -4.000 4.750
98 HH22 ARG 13 2HH2 ARG 13 7.835 -4.852 6.234
99 H CYS 14 H CYS 14 1.411 -4.177 2.127
100 HA CYS 14 HA CYS 14 0.238 -2.869 -0.149
101 HB2 CYS 14 2HB CYS 14 -1.040 -4.983 1.533
102 HB3 CYS 14 1HB CYS 14 -1.705 -4.284 0.071
103 H ILE 15 H ILE 15 -1.104 -1.373 -0.017
104 HA ILE 15 HA ILE 15 -1.563 -0.194 2.643
105 HB ILE 15 HB ILE 15 -1.617 1.142 -0.083
106 HG12 ILE 15 2HG1 ILE 15 0.674 0.460 0.482
107 HG13 ILE 15 1HG1 ILE 15 0.517 2.208 0.547
108 HG21 ILE 15 1HG2 ILE 15 -1.640 3.267 1.158
109 HG22 ILE 15 2HG2 ILE 15 -1.745 2.369 2.672
110 HG23 ILE 15 3HG2 ILE 15 -3.062 2.278 1.504
111 HD11 ILE 15 3HD1 ILE 15 0.581 0.331 2.907
112 HD12 ILE 15 1HD1 ILE 15 0.395 2.085 3.000
113 HD13 ILE 15 2HD1 ILE 15 1.885 1.386 2.369
114 H CYS 16 H CYS 16 -3.567 -0.378 3.359
115 HA CYS 16 HA CYS 16 -5.724 -0.723 1.423
116 HB2 CYS 16 2HB CYS 16 -5.721 -1.257 4.385
117 HB3 CYS 16 1HB CYS 16 -7.054 -1.570 3.289
118 H THR 17 H THR 17 -7.439 0.539 1.375
119 HA THR 17 HA THR 17 -7.814 2.699 3.258
120 HB THR 17 HB THR 17 -7.733 3.242 0.326
121 HG1 THR 17 1HG THR 17 -5.652 2.970 2.098
122 HG21 THR 17 3HG2 THR 17 -8.973 4.816 1.700
123 HG22 THR 17 1HG2 THR 17 -7.527 5.592 1.053
124 HG23 THR 17 2HG2 THR 17 -7.559 5.054 2.730
125 H ARG 18 H ARG 18 -9.923 2.783 3.569
126 HA ARG 18 HA ARG 18 -12.086 2.244 3.593
127 HB2 ARG 18 2HB ARG 18 -11.896 4.115 1.882
128 HB3 ARG 18 1HB ARG 18 -12.009 2.883 0.637
129 HG2 ARG 18 2HG ARG 18 -14.152 2.201 1.513
130 HG3 ARG 18 1HG ARG 18 -14.086 3.463 2.733
131 HD2 ARG 18 2HD ARG 18 -15.454 4.263 0.912
132 HD3 ARG 18 1HD ARG 18 -13.941 5.159 0.924
133 HE ARG 18 HE ARG 18 -13.766 2.931 -0.813
134 HH11 ARG 18 1HH1 ARG 18 -15.189 6.143 -0.618
135 HH12 ARG 18 2HH1 ARG 18 -15.244 6.386 -2.302
136 HH21 ARG 18 1HH2 ARG 18 -13.811 3.267 -3.108
137 HH22 ARG 18 2HH2 ARG 18 -14.436 4.725 -3.757
Start of MODEL 3
1 H1 GLY 1 H GLY 1 -10.871 -0.501 3.051
2 HA2 GLY 1 2HA GLY 1 -11.611 -2.592 2.307
3 HA3 GLY 1 1HA GLY 1 -12.816 -1.784 1.312
4 H PHE 2 H PHE 2 -10.612 -0.001 0.247
5 HA PHE 2 HA PHE 2 -9.951 -1.731 -1.977
6 HB2 PHE 2 2HB PHE 2 -10.758 0.527 -2.385
7 HB3 PHE 2 1HB PHE 2 -9.410 1.181 -1.453
8 HD1 PHE 2 1HD PHE 2 -10.437 -0.346 -4.635
9 HD2 PHE 2 2HD PHE 2 -7.216 1.380 -2.450
10 HE1 PHE 2 1HE PHE 2 -9.147 -0.122 -6.709
11 HE2 PHE 2 2HE PHE 2 -5.923 1.603 -4.523
12 HZ PHE 2 HZ PHE 2 -6.890 0.854 -6.659
13 H CYS 3 H CYS 3 -8.149 -2.728 -2.107
14 HA CYS 3 HA CYS 3 -5.941 -1.834 -0.402
15 HB2 CYS 3 2HB CYS 3 -6.533 -4.638 -1.294
16 HB3 CYS 3 1HB CYS 3 -5.113 -4.152 -0.389
17 H ARG 4 H ARG 4 -4.152 -1.382 -1.186
18 HA ARG 4 HA ARG 4 -3.509 -2.137 -3.926
19 HB2 ARG 4 2HB ARG 4 -2.606 0.150 -4.306
20 HB3 ARG 4 1HB ARG 4 -4.347 0.135 -4.085
21 HG2 ARG 4 2HG ARG 4 -4.128 0.962 -1.837
22 HG3 ARG 4 1HG ARG 4 -2.376 0.810 -1.910
23 HD2 ARG 4 2HD ARG 4 -2.303 2.523 -3.654
24 HD3 ARG 4 1HD ARG 4 -4.060 2.655 -3.595
25 HE ARG 4 HE ARG 4 -3.930 3.610 -1.477
26 HH11 ARG 4 1HH1 ARG 4 -0.704 3.170 -2.915
27 HH12 ARG 4 2HH1 ARG 4 0.065 4.202 -1.809
28 HH21 ARG 4 1HH2 ARG 4 -2.838 5.027 0.016
29 HH22 ARG 4 2HH2 ARG 4 -1.148 5.259 -0.087
30 H CYS 5 H CYS 5 -1.475 -2.924 -4.033
31 HA CYS 5 HA CYS 5 0.099 -2.534 -1.673
32 HB2 CYS 5 2HB CYS 5 0.437 -4.581 -3.875
33 HB3 CYS 5 1HB CYS 5 1.512 -4.418 -2.498
34 H LEU 6 H LEU 6 2.382 -2.080 -1.859
35 HA LEU 6 HA LEU 6 3.166 -0.781 -4.346
36 HB2 LEU 6 2HB LEU 6 2.034 0.957 -3.084
37 HB3 LEU 6 1HB LEU 6 3.023 0.614 -1.681
38 HG LEU 6 HG LEU 6 5.017 1.355 -2.981
39 HD11 LEU 6 1HD1 LEU 6 4.672 2.686 -5.003
40 HD12 LEU 6 2HD1 LEU 6 2.969 2.221 -5.011
41 HD13 LEU 6 3HD1 LEU 6 4.224 0.996 -5.231
42 HD21 LEU 6 3HD2 LEU 6 3.926 2.851 -1.411
43 HD22 LEU 6 1HD2 LEU 6 2.786 3.356 -2.656
44 HD23 LEU 6 2HD2 LEU 6 4.501 3.746 -2.813
45 H CYS 7 H CYS 7 5.210 -1.332 -4.763
46 HA CYS 7 HA CYS 7 6.930 -2.019 -2.543
47 HB2 CYS 7 2HB CYS 7 7.393 -2.299 -5.520
48 HB3 CYS 7 1HB CYS 7 8.533 -2.768 -4.253
49 H ARG 8 H ARG 8 7.889 -0.605 -1.583
50 HA ARG 8 HA ARG 8 8.723 1.865 -2.927
51 HB2 ARG 8 2HB ARG 8 6.830 2.223 -1.439
52 HB3 ARG 8 1HB ARG 8 7.630 1.360 -0.144
53 HG2 ARG 8 2HG ARG 8 7.753 3.669 0.353
54 HG3 ARG 8 1HG ARG 8 9.366 3.171 -0.154
55 HD2 ARG 8 2HD ARG 8 8.859 4.038 -2.420
56 HD3 ARG 8 1HD ARG 8 7.309 4.621 -1.810
57 HE ARG 8 HE ARG 8 9.591 5.500 -0.322
58 HH11 ARG 8 1HH1 ARG 8 7.196 6.351 -2.782
59 HH12 ARG 8 2HH1 ARG 8 7.776 7.905 -3.068
60 HH21 ARG 8 1HH2 ARG 8 10.388 7.705 -0.614
61 HH22 ARG 8 2HH2 ARG 8 9.658 8.726 -1.764
62 H ARG 9 H ARG 9 10.899 2.007 -2.941
63 HA ARG 9 HA ARG 9 13.100 1.800 -2.437
64 HB2 ARG 9 2HB ARG 9 12.402 3.043 -0.402
65 HB3 ARG 9 1HB ARG 9 12.029 1.533 0.397
66 HG2 ARG 9 2HG ARG 9 14.412 0.944 0.371
67 HG3 ARG 9 1HG ARG 9 14.770 2.476 -0.418
68 HD2 ARG 9 2HD ARG 9 14.012 3.716 1.476
69 HD3 ARG 9 1HD ARG 9 13.367 2.260 2.235
70 HE ARG 9 HE ARG 9 15.949 1.659 1.946
71 HH11 ARG 9 1HH1 ARG 9 14.451 4.582 3.271
72 HH12 ARG 9 2HH1 ARG 9 15.613 4.784 4.498
73 HH21 ARG 9 1HH2 ARG 9 17.549 1.962 3.645
74 HH22 ARG 9 2HH2 ARG 9 17.398 3.278 4.715
75 H GLY 10 H GLY 10 11.584 -0.536 -3.169
76 HA2 GLY 10 2HA GLY 10 12.208 -2.729 -3.655
77 HA3 GLY 10 1HA GLY 10 13.520 -2.586 -2.496
78 H ASP 11 H ASP 11 11.117 -1.508 -0.754
79 HA ASP 11 HA ASP 11 10.588 -4.118 0.418
80 HB2 ASP 11 2HB ASP 11 11.672 -2.589 1.909
81 HB3 ASP 11 1HB ASP 11 10.570 -1.293 1.474
82 H CYS 12 H CYS 12 8.616 -4.924 0.128
83 HA CYS 12 HA CYS 12 6.608 -3.141 -0.990
84 HB2 CYS 12 2HB CYS 12 6.570 -6.127 -0.921
85 HB3 CYS 12 1HB CYS 12 5.528 -5.072 -1.858
86 H ARG 13 H ARG 13 4.874 -2.674 -0.170
87 HA ARG 13 HA ARG 13 4.018 -3.910 2.342
88 HB2 ARG 13 2HB ARG 13 4.189 -0.935 1.776
89 HB3 ARG 13 1HB ARG 13 3.480 -1.656 3.213
90 HG2 ARG 13 2HG ARG 13 6.368 -1.938 2.423
91 HG3 ARG 13 1HG ARG 13 5.749 -0.739 3.564
92 HD2 ARG 13 2HD ARG 13 5.092 -2.395 5.089
93 HD3 ARG 13 1HD ARG 13 5.290 -3.694 3.912
94 HE ARG 13 HE ARG 13 7.724 -2.696 4.026
95 HH11 ARG 13 1HH1 ARG 13 5.559 -3.397 6.730
96 HH12 ARG 13 2HH1 ARG 13 6.792 -4.003 7.738
97 HH21 ARG 13 1HH2 ARG 13 9.359 -3.571 5.311
98 HH22 ARG 13 2HH2 ARG 13 9.048 -4.104 6.914
99 H CYS 14 H CYS 14 1.695 -3.540 2.679
100 HA CYS 14 HA CYS 14 0.484 -2.657 0.232
101 HB2 CYS 14 2HB CYS 14 -0.533 -4.860 2.017
102 HB3 CYS 14 1HB CYS 14 -1.415 -4.209 0.644
103 H ILE 15 H ILE 15 -1.358 -1.452 0.364
104 HA ILE 15 HA ILE 15 -1.932 -0.381 3.032
105 HB ILE 15 HB ILE 15 -1.798 1.235 0.448
106 HG12 ILE 15 2HG1 ILE 15 -0.048 2.603 1.792
107 HG13 ILE 15 1HG1 ILE 15 0.044 1.210 2.853
108 HG21 ILE 15 1HG2 ILE 15 -2.282 3.202 1.823
109 HG22 ILE 15 2HG2 ILE 15 -2.486 2.153 3.228
110 HG23 ILE 15 3HG2 ILE 15 -3.590 2.018 1.864
111 HD11 ILE 15 3HD1 ILE 15 0.701 1.241 -0.090
112 HD12 ILE 15 1HD1 ILE 15 0.808 -0.165 0.972
113 HD13 ILE 15 2HD1 ILE 15 1.858 1.231 1.236
114 H CYS 16 H CYS 16 -3.983 -0.791 3.522
115 HA CYS 16 HA CYS 16 -5.929 -0.850 1.355
116 HB2 CYS 16 2HB CYS 16 -6.156 -1.972 4.143
117 HB3 CYS 16 1HB CYS 16 -7.414 -2.021 2.928
118 H THR 17 H THR 17 -7.601 0.419 1.390
119 HA THR 17 HA THR 17 -7.999 2.272 3.592
120 HB THR 17 HB THR 17 -7.806 3.160 0.778
121 HG1 THR 17 1HG THR 17 -5.824 2.644 2.634
122 HG21 THR 17 3HG2 THR 17 -7.514 5.403 1.810
123 HG22 THR 17 1HG2 THR 17 -7.699 4.642 3.389
124 HG23 THR 17 2HG2 THR 17 -9.034 4.616 2.235
125 H ARG 18 H ARG 18 -10.021 2.120 3.928
126 HA ARG 18 HA ARG 18 -12.265 1.705 3.827
127 HB2 ARG 18 2HB ARG 18 -12.071 3.971 2.851
128 HB3 ARG 18 1HB ARG 18 -11.924 3.269 1.258
129 HG2 ARG 18 2HG ARG 18 -14.166 2.262 1.625
130 HG3 ARG 18 1HG ARG 18 -14.329 3.283 3.052
131 HD2 ARG 18 2HD ARG 18 -15.360 4.356 1.079
132 HD3 ARG 18 1HD ARG 18 -13.994 5.294 1.685
133 HE ARG 18 HE ARG 18 -12.859 3.729 -0.183
134 HH11 ARG 18 1HH1 ARG 18 -15.720 5.785 -0.385
135 HH12 ARG 18 2HH1 ARG 18 -15.447 6.227 -2.014
136 HH21 ARG 18 1HH2 ARG 18 -12.496 4.286 -2.359
137 HH22 ARG 18 2HH2 ARG 18 -13.552 5.328 -3.185
Start of MODEL 4
1 H1 GLY 1 H GLY 1 -10.729 0.386 2.553
2 HA2 GLY 1 2HA GLY 1 -11.453 -1.786 2.981
3 HA3 GLY 1 1HA GLY 1 -12.686 -1.576 1.747
4 H PHE 2 H PHE 2 -10.174 -0.541 0.104
5 HA PHE 2 HA PHE 2 -9.676 -3.196 -1.018
6 HB2 PHE 2 2HB PHE 2 -10.634 -1.487 -2.542
7 HB3 PHE 2 1HB PHE 2 -9.251 -0.444 -2.225
8 HD1 PHE 2 2HD PHE 2 -10.374 -3.543 -3.830
9 HD2 PHE 2 1HD PHE 2 -7.148 -0.818 -3.328
10 HE1 PHE 2 2HE PHE 2 -9.176 -4.621 -5.688
11 HE2 PHE 2 1HE PHE 2 -5.946 -1.894 -5.181
12 HZ PHE 2 HZ PHE 2 -6.965 -3.801 -6.360
13 H CYS 3 H CYS 3 -7.598 -3.956 -1.205
14 HA CYS 3 HA CYS 3 -5.602 -2.355 0.176
15 HB2 CYS 3 2HB CYS 3 -5.608 -5.300 -0.294
16 HB3 CYS 3 1HB CYS 3 -4.424 -4.409 0.635
17 H ARG 4 H ARG 4 -4.143 -1.516 -0.799
18 HA ARG 4 HA ARG 4 -3.462 -2.298 -3.563
19 HB2 ARG 4 2HB ARG 4 -4.685 -0.159 -3.381
20 HB3 ARG 4 1HB ARG 4 -3.488 0.426 -2.238
21 HG2 ARG 4 2HG ARG 4 -1.780 0.281 -4.022
22 HG3 ARG 4 1HG ARG 4 -3.053 -0.196 -5.150
23 HD2 ARG 4 2HD ARG 4 -2.984 2.373 -3.582
24 HD3 ARG 4 1HD ARG 4 -2.539 2.213 -5.280
25 HE ARG 4 HE ARG 4 -5.084 1.222 -5.144
26 HH11 ARG 4 1HH1 ARG 4 -3.649 4.343 -4.175
27 HH12 ARG 4 2HH1 ARG 4 -5.061 5.215 -4.511
28 HH21 ARG 4 1HH2 ARG 4 -6.989 2.445 -5.564
29 HH22 ARG 4 2HH2 ARG 4 -7.023 4.125 -5.324
30 H CYS 5 H CYS 5 -1.202 -2.514 -3.944
31 HA CYS 5 HA CYS 5 0.300 -2.181 -1.527
32 HB2 CYS 5 2HB CYS 5 0.869 -3.900 -3.878
33 HB3 CYS 5 1HB CYS 5 2.191 -3.379 -2.878
34 H LEU 6 H LEU 6 2.095 -1.309 -1.304
35 HA LEU 6 HA LEU 6 2.882 0.698 -3.305
36 HB2 LEU 6 2HB LEU 6 2.686 1.046 -0.298
37 HB3 LEU 6 1HB LEU 6 3.545 2.155 -1.333
38 HG LEU 6 HG LEU 6 1.478 3.158 -0.773
39 HD11 LEU 6 1HD1 LEU 6 2.120 3.555 -3.020
40 HD12 LEU 6 2HD1 LEU 6 0.363 3.481 -2.904
41 HD13 LEU 6 3HD1 LEU 6 1.262 2.117 -3.571
42 HD21 LEU 6 3HD2 LEU 6 0.046 0.692 -1.751
43 HD22 LEU 6 1HD2 LEU 6 -0.721 2.167 -1.165
44 HD23 LEU 6 2HD2 LEU 6 0.237 1.167 -0.066
45 H CYS 7 H CYS 7 4.997 0.643 -3.785
46 HA CYS 7 HA CYS 7 6.663 -1.021 -2.079
47 HB2 CYS 7 2HB CYS 7 6.918 -0.485 -5.046
48 HB3 CYS 7 1HB CYS 7 8.047 -1.440 -4.090
49 H ARG 8 H ARG 8 8.466 -0.190 -1.277
50 HA ARG 8 HA ARG 8 9.464 2.356 -2.307
51 HB2 ARG 8 2HB ARG 8 8.235 2.776 -0.223
52 HB3 ARG 8 1HB ARG 8 9.182 1.539 0.590
53 HG2 ARG 8 2HG ARG 8 11.203 2.861 0.284
54 HG3 ARG 8 1HG ARG 8 10.277 4.091 -0.571
55 HD2 ARG 8 2HD ARG 8 9.761 3.236 2.272
56 HD3 ARG 8 1HD ARG 8 10.703 4.650 1.810
57 HE ARG 8 HE ARG 8 8.152 4.667 0.594
58 HH11 ARG 8 1HH1 ARG 8 9.678 5.205 3.733
59 HH12 ARG 8 2HH1 ARG 8 8.584 6.418 4.220
60 HH21 ARG 8 1HH2 ARG 8 6.652 6.308 1.245
61 HH22 ARG 8 2HH2 ARG 8 6.838 7.069 2.756
62 H ARG 9 H ARG 9 11.145 1.571 -3.356
63 HA ARG 9 HA ARG 9 13.121 0.635 -3.852
64 HB2 ARG 9 2HB ARG 9 13.762 2.366 -2.165
65 HB3 ARG 9 1HB ARG 9 13.703 1.139 -0.918
66 HG2 ARG 9 2HG ARG 9 16.002 1.624 -1.607
67 HG3 ARG 9 1HG ARG 9 15.553 -0.045 -1.961
68 HD2 ARG 9 2HD ARG 9 16.828 1.044 -3.787
69 HD3 ARG 9 1HD ARG 9 15.239 0.479 -4.294
70 HE ARG 9 HE ARG 9 15.119 3.171 -3.469
71 HH11 ARG 9 1HH1 ARG 9 16.396 1.229 -6.163
72 HH12 ARG 9 2HH1 ARG 9 16.144 2.423 -7.336
73 HH21 ARG 9 1HH2 ARG 9 14.784 4.842 -5.122
74 HH22 ARG 9 2HH2 ARG 9 15.218 4.522 -6.733
75 H GLY 10 H GLY 10 11.431 -1.277 -3.768
76 HA2 GLY 10 2HA GLY 10 11.698 -3.611 -3.848
77 HA3 GLY 10 1HA GLY 10 12.912 -3.494 -2.582
78 H ASP 11 H ASP 11 11.193 -1.790 -0.893
79 HA ASP 11 HA ASP 11 9.902 -3.938 0.491
80 HB2 ASP 11 2HB ASP 11 11.025 -2.217 1.771
81 HB3 ASP 11 1HB ASP 11 10.012 -0.972 1.057
82 H CYS 12 H CYS 12 8.203 -4.668 -0.596
83 HA CYS 12 HA CYS 12 6.081 -2.774 -1.248
84 HB2 CYS 12 2HB CYS 12 6.337 -5.651 -1.976
85 HB3 CYS 12 1HB CYS 12 5.073 -4.568 -2.513
86 H ARG 13 H ARG 13 4.490 -2.665 -0.148
87 HA ARG 13 HA ARG 13 3.544 -4.849 1.549
88 HB2 ARG 13 2HB ARG 13 3.374 -3.446 3.546
89 HB3 ARG 13 1HB ARG 13 5.042 -3.532 3.014
90 HG2 ARG 13 2HG ARG 13 4.800 -1.312 1.979
91 HG3 ARG 13 1HG ARG 13 3.147 -1.226 2.592
92 HD2 ARG 13 2HD ARG 13 4.626 -0.019 4.080
93 HD3 ARG 13 1HD ARG 13 4.018 -1.464 4.888
94 HE ARG 13 HE ARG 13 6.583 -1.692 3.549
95 HH11 ARG 13 1HH1 ARG 13 4.945 -1.122 6.650
96 HH12 ARG 13 2HH1 ARG 13 6.317 -1.535 7.579
97 HH21 ARG 13 1HH2 ARG 13 8.365 -2.319 4.792
98 HH22 ARG 13 2HH2 ARG 13 8.306 -2.270 6.508
99 H CYS 14 H CYS 14 1.312 -4.660 2.012
100 HA CYS 14 HA CYS 14 0.109 -2.719 0.277
101 HB2 CYS 14 2HB CYS 14 -0.885 -5.322 1.236
102 HB3 CYS 14 1HB CYS 14 -2.072 -4.085 0.925
103 H ILE 15 H ILE 15 -1.271 -1.432 0.667
104 HA ILE 15 HA ILE 15 -1.927 -0.804 3.477
105 HB ILE 15 HB ILE 15 -1.438 1.155 1.198
106 HG12 ILE 15 2HG1 ILE 15 0.088 0.731 3.782
107 HG13 ILE 15 1HG1 ILE 15 0.633 0.252 2.179
108 HG21 ILE 15 1HG2 ILE 15 -1.839 2.947 2.829
109 HG22 ILE 15 2HG2 ILE 15 -2.277 1.743 4.040
110 HG23 ILE 15 3HG2 ILE 15 -3.271 1.943 2.594
111 HD11 ILE 15 3HD1 ILE 15 0.182 3.069 3.143
112 HD12 ILE 15 1HD1 ILE 15 0.707 2.616 1.521
113 HD13 ILE 15 2HD1 ILE 15 1.738 2.276 2.908
114 H CYS 16 H CYS 16 -4.080 -0.683 3.846
115 HA CYS 16 HA CYS 16 -5.751 -0.893 1.462
116 HB2 CYS 16 2HB CYS 16 -6.597 -1.555 4.282
117 HB3 CYS 16 1HB CYS 16 -7.379 -2.016 2.780
118 H THR 17 H THR 17 -7.290 0.413 0.997
119 HA THR 17 HA THR 17 -8.068 2.511 2.831
120 HB THR 17 HB THR 17 -7.286 3.165 -0.000
121 HG1 THR 17 1HG THR 17 -5.716 2.812 2.231
122 HG21 THR 17 3HG2 THR 17 -8.793 4.719 1.120
123 HG22 THR 17 1HG2 THR 17 -7.216 5.472 0.879
124 HG23 THR 17 2HG2 THR 17 -7.670 4.856 2.467
125 H ARG 18 H ARG 18 -10.206 2.929 2.531
126 HA ARG 18 HA ARG 18 -12.334 2.737 1.885
127 HB2 ARG 18 2HB ARG 18 -11.390 3.960 -0.142
128 HB3 ARG 18 1HB ARG 18 -11.267 2.404 -0.939
129 HG2 ARG 18 2HG ARG 18 -13.697 2.115 -0.560
130 HG3 ARG 18 1HG ARG 18 -13.751 3.790 -0.010
131 HD2 ARG 18 2HD ARG 18 -12.892 4.557 -2.156
132 HD3 ARG 18 1HD ARG 18 -12.813 2.890 -2.734
133 HE ARG 18 HE ARG 18 -15.391 3.831 -1.836
134 HH11 ARG 18 1HH1 ARG 18 -13.280 3.149 -4.613
135 HH12 ARG 18 2HH1 ARG 18 -14.505 3.318 -5.774
136 HH21 ARG 18 1HH2 ARG 18 -17.097 4.042 -3.443
137 HH22 ARG 18 2HH2 ARG 18 -16.723 3.803 -5.086
Start of MODEL 5
1 H1 GLY 1 H GLY 1 -11.406 -1.754 3.002
2 HA2 GLY 1 2HA GLY 1 -11.686 -3.749 1.923
3 HA3 GLY 1 1HA GLY 1 -13.035 -3.044 1.061
4 H PHE 2 H PHE 2 -10.352 -1.102 0.504
5 HA PHE 2 HA PHE 2 -9.645 -2.712 -1.844
6 HB2 PHE 2 2HB PHE 2 -10.928 -0.722 -2.464
7 HB3 PHE 2 1HB PHE 2 -9.760 0.299 -1.616
8 HD1 PHE 2 2HD PHE 2 -10.243 -1.958 -4.490
9 HD2 PHE 2 1HD PHE 2 -7.758 0.984 -2.689
10 HE1 PHE 2 2HE PHE 2 -8.950 -1.783 -6.571
11 HE2 PHE 2 1HE PHE 2 -6.457 1.170 -4.774
12 HZ PHE 2 HZ PHE 2 -7.058 -0.220 -6.719
13 H CYS 3 H CYS 3 -7.602 -3.146 -2.078
14 HA CYS 3 HA CYS 3 -5.693 -1.779 -0.339
15 HB2 CYS 3 2HB CYS 3 -5.678 -4.655 -1.227
16 HB3 CYS 3 1HB CYS 3 -4.397 -3.876 -0.302
17 H ARG 4 H ARG 4 -3.894 -1.084 -1.165
18 HA ARG 4 HA ARG 4 -3.190 -1.660 -3.932
19 HB2 ARG 4 2HB ARG 4 -4.488 0.344 -4.056
20 HB3 ARG 4 1HB ARG 4 -3.725 0.998 -2.622
21 HG2 ARG 4 2HG ARG 4 -1.679 1.358 -3.843
22 HG3 ARG 4 1HG ARG 4 -2.365 0.589 -5.278
23 HD2 ARG 4 2HD ARG 4 -2.429 3.124 -5.248
24 HD3 ARG 4 1HD ARG 4 -3.956 2.309 -5.566
25 HE ARG 4 HE ARG 4 -4.460 2.683 -3.150
26 HH11 ARG 4 1HH1 ARG 4 -2.157 4.852 -4.726
27 HH12 ARG 4 2HH1 ARG 4 -2.623 6.208 -3.812
28 HH21 ARG 4 1HH2 ARG 4 -5.066 4.507 -1.906
29 HH22 ARG 4 2HH2 ARG 4 -4.325 6.018 -2.158
30 H CYS 5 H CYS 5 -0.896 -1.762 -4.135
31 HA CYS 5 HA CYS 5 0.388 -1.361 -1.584
32 HB2 CYS 5 2HB CYS 5 1.194 -3.255 -3.758
33 HB3 CYS 5 1HB CYS 5 2.014 -3.056 -2.225
34 H LEU 6 H LEU 6 2.369 -0.501 -1.445
35 HA LEU 6 HA LEU 6 3.383 0.902 -3.825
36 HB2 LEU 6 2HB LEU 6 2.247 2.300 -1.981
37 HB3 LEU 6 1HB LEU 6 3.570 1.838 -0.938
38 HG LEU 6 HG LEU 6 3.779 4.135 -1.807
39 HD11 LEU 6 1HD1 LEU 6 5.928 2.320 -2.838
40 HD12 LEU 6 2HD1 LEU 6 5.806 2.996 -1.216
41 HD13 LEU 6 3HD1 LEU 6 6.069 4.062 -2.597
42 HD21 LEU 6 3HD2 LEU 6 4.008 2.848 -4.524
43 HD22 LEU 6 1HD2 LEU 6 4.286 4.550 -4.158
44 HD23 LEU 6 2HD2 LEU 6 2.679 3.856 -3.949
45 H CYS 7 H CYS 7 5.528 0.468 -4.234
46 HA CYS 7 HA CYS 7 6.956 -1.107 -2.222
47 HB2 CYS 7 2HB CYS 7 6.986 -1.514 -5.218
48 HB3 CYS 7 1HB CYS 7 7.994 -2.383 -4.067
49 H ARG 8 H ARG 8 8.959 -0.552 -1.766
50 HA ARG 8 HA ARG 8 10.382 1.447 -3.428
51 HB2 ARG 8 2HB ARG 8 10.199 1.420 -0.419
52 HB3 ARG 8 1HB ARG 8 11.085 2.567 -1.400
53 HG2 ARG 8 2HG ARG 8 9.087 3.571 -2.173
54 HG3 ARG 8 1HG ARG 8 8.107 2.258 -1.505
55 HD2 ARG 8 2HD ARG 8 9.759 4.238 0.039
56 HD3 ARG 8 1HD ARG 8 7.995 4.182 -0.052
57 HE ARG 8 HE ARG 8 8.694 1.707 0.826
58 HH11 ARG 8 1HH1 ARG 8 9.320 4.972 1.999
59 HH12 ARG 8 2HH1 ARG 8 9.436 4.497 3.625
60 HH21 ARG 8 1HH2 ARG 8 8.905 1.053 3.028
61 HH22 ARG 8 2HH2 ARG 8 9.196 2.252 4.226
62 H ARG 9 H ARG 9 12.081 0.130 -4.096
63 HA ARG 9 HA ARG 9 14.047 -1.041 -3.956
64 HB2 ARG 9 2HB ARG 9 14.617 0.805 -2.385
65 HB3 ARG 9 1HB ARG 9 13.909 -0.091 -1.067
66 HG2 ARG 9 2HG ARG 9 15.691 -1.781 -1.315
67 HG3 ARG 9 1HG ARG 9 16.426 -0.779 -2.579
68 HD2 ARG 9 2HD ARG 9 16.719 1.035 -1.041
69 HD3 ARG 9 1HD ARG 9 15.828 0.177 0.212
70 HE ARG 9 HE ARG 9 18.162 -1.194 -0.738
71 HH11 ARG 9 1HH1 ARG 9 16.902 1.128 1.626
72 HH12 ARG 9 2HH1 ARG 9 18.194 0.955 2.712
73 HH21 ARG 9 1HH2 ARG 9 19.960 -1.454 0.782
74 HH22 ARG 9 2HH2 ARG 9 19.974 -0.563 2.220
75 H GLY 10 H GLY 10 11.561 -2.414 -3.628
76 HA2 GLY 10 2HA GLY 10 11.175 -4.728 -3.466
77 HA3 GLY 10 1HA GLY 10 12.556 -4.863 -2.384
78 H ASP 11 H ASP 11 11.322 -2.415 -0.965
79 HA ASP 11 HA ASP 11 9.855 -3.963 0.979
80 HB2 ASP 11 2HB ASP 11 11.373 -2.282 1.834
81 HB3 ASP 11 1HB ASP 11 10.597 -1.027 0.871
82 H CYS 12 H CYS 12 7.861 -4.495 0.340
83 HA CYS 12 HA CYS 12 6.267 -2.360 -0.802
84 HB2 CYS 12 2HB CYS 12 5.649 -5.300 -0.704
85 HB3 CYS 12 1HB CYS 12 4.668 -4.066 -1.446
86 H ARG 13 H ARG 13 4.674 -1.599 0.101
87 HA ARG 13 HA ARG 13 3.739 -2.721 2.629
88 HB2 ARG 13 2HB ARG 13 5.378 -0.773 2.896
89 HB3 ARG 13 1HB ARG 13 4.156 0.224 2.128
90 HG2 ARG 13 2HG ARG 13 2.631 -0.126 3.893
91 HG3 ARG 13 1HG ARG 13 3.657 -1.357 4.634
92 HD2 ARG 13 2HD ARG 13 4.288 1.574 4.330
93 HD3 ARG 13 1HD ARG 13 3.888 0.720 5.825
94 HE ARG 13 HE ARG 13 6.116 -0.473 4.551
95 HH11 ARG 13 1HH1 ARG 13 5.195 2.197 6.680
96 HH12 ARG 13 2HH1 ARG 13 6.778 2.505 7.218
97 HH21 ARG 13 1HH2 ARG 13 8.299 -0.075 5.316
98 HH22 ARG 13 2HH2 ARG 13 8.563 1.151 6.485
99 H CYS 14 H CYS 14 1.550 -2.704 2.718
100 HA CYS 14 HA CYS 14 0.370 -1.569 0.342
101 HB2 CYS 14 2HB CYS 14 -0.633 -3.948 1.865
102 HB3 CYS 14 1HB CYS 14 -1.321 -3.298 0.388
103 H ILE 15 H ILE 15 -1.281 -0.391 0.423
104 HA ILE 15 HA ILE 15 -2.239 0.346 3.079
105 HB ILE 15 HB ILE 15 -1.136 2.242 2.078
106 HG12 ILE 15 2HG1 ILE 15 -4.133 2.644 1.882
107 HG13 ILE 15 1HG1 ILE 15 -3.174 2.732 3.355
108 HG21 ILE 15 1HG2 ILE 15 -1.808 3.264 -0.047
109 HG22 ILE 15 2HG2 ILE 15 -2.915 1.918 -0.331
110 HG23 ILE 15 3HG2 ILE 15 -1.181 1.628 -0.257
111 HD11 ILE 15 3HD1 ILE 15 -2.927 4.568 0.989
112 HD12 ILE 15 1HD1 ILE 15 -2.000 4.674 2.487
113 HD13 ILE 15 2HD1 ILE 15 -3.743 4.941 2.507
114 H CYS 16 H CYS 16 -4.147 -0.424 3.557
115 HA CYS 16 HA CYS 16 -6.068 -0.769 1.383
116 HB2 CYS 16 2HB CYS 16 -6.141 -1.995 4.136
117 HB3 CYS 16 1HB CYS 16 -7.241 -2.310 2.821
118 H THR 17 H THR 17 -7.893 0.232 1.425
119 HA THR 17 HA THR 17 -8.794 1.581 3.834
120 HB THR 17 HB THR 17 -8.808 3.047 1.217
121 HG1 THR 17 1HG THR 17 -6.743 2.705 3.064
122 HG21 THR 17 3HG2 THR 17 -9.002 3.969 4.093
123 HG22 THR 17 1HG2 THR 17 -10.344 3.818 2.955
124 HG23 THR 17 2HG2 THR 17 -9.082 5.022 2.683
125 H ARG 18 H ARG 18 -10.852 1.253 4.028
126 HA ARG 18 HA ARG 18 -12.738 0.142 3.817
127 HB2 ARG 18 2HB ARG 18 -13.016 2.561 3.162
128 HB3 ARG 18 1HB ARG 18 -13.135 1.997 1.502
129 HG2 ARG 18 2HG ARG 18 -15.250 2.381 2.480
130 HG3 ARG 18 1HG ARG 18 -15.075 0.650 2.084
131 HD2 ARG 18 2HD ARG 18 -14.522 0.239 4.479
132 HD3 ARG 18 1HD ARG 18 -14.746 1.953 4.800
133 HE ARG 18 HE ARG 18 -17.092 1.177 3.732
134 HH11 ARG 18 1HH1 ARG 18 -15.115 -0.129 6.378
135 HH12 ARG 18 2HH1 ARG 18 -16.409 -0.592 7.336
136 HH21 ARG 18 1HH2 ARG 18 -18.915 0.519 5.046
137 HH22 ARG 18 2HH2 ARG 18 -18.659 -0.219 6.553
Start of MODEL 6
1 H1 GLY 1 H GLY 1 -10.950 -0.397 3.414
2 HA2 GLY 1 2HA GLY 1 -11.145 -2.694 3.286
3 HA3 GLY 1 1HA GLY 1 -12.700 -2.457 2.508
4 H PHE 2 H PHE 2 -10.185 -0.818 0.941
5 HA PHE 2 HA PHE 2 -9.923 -3.011 -0.992
6 HB2 PHE 2 2HB PHE 2 -11.377 -1.170 -1.810
7 HB3 PHE 2 1HB PHE 2 -10.069 -0.032 -1.543
8 HD1 PHE 2 2HD PHE 2 -10.921 -3.118 -3.429
9 HD2 PHE 2 1HD PHE 2 -8.608 0.450 -3.281
10 HE1 PHE 2 2HE PHE 2 -10.144 -3.530 -5.722
11 HE2 PHE 2 1HE PHE 2 -7.826 0.039 -5.572
12 HZ PHE 2 HZ PHE 2 -8.588 -1.954 -6.791
13 H CYS 3 H CYS 3 -7.828 -3.288 -1.875
14 HA CYS 3 HA CYS 3 -5.759 -1.725 -0.507
15 HB2 CYS 3 2HB CYS 3 -5.701 -4.690 -1.061
16 HB3 CYS 3 1HB CYS 3 -4.426 -3.749 -0.307
17 H ARG 4 H ARG 4 -4.095 -1.101 -1.648
18 HA ARG 4 HA ARG 4 -3.492 -2.274 -4.286
19 HB2 ARG 4 2HB ARG 4 -3.403 0.651 -3.475
20 HB3 ARG 4 1HB ARG 4 -2.571 0.031 -4.883
21 HG2 ARG 4 2HG ARG 4 -5.555 -0.029 -4.457
22 HG3 ARG 4 1HG ARG 4 -4.687 1.163 -5.424
23 HD2 ARG 4 2HD ARG 4 -3.829 -0.738 -6.831
24 HD3 ARG 4 1HD ARG 4 -4.919 -1.801 -5.936
25 HE ARG 4 HE ARG 4 -6.248 0.463 -7.015
26 HH11 ARG 4 1HH1 ARG 4 -5.090 -2.770 -7.904
27 HH12 ARG 4 2HH1 ARG 4 -6.239 -2.984 -9.145
28 HH21 ARG 4 1HH2 ARG 4 -7.788 0.155 -8.796
29 HH22 ARG 4 2HH2 ARG 4 -7.780 -1.307 -9.651
30 H CYS 5 H CYS 5 -1.136 -2.420 -4.620
31 HA CYS 5 HA CYS 5 0.151 -2.054 -2.079
32 HB2 CYS 5 2HB CYS 5 0.759 -4.123 -4.174
33 HB3 CYS 5 1HB CYS 5 1.673 -3.900 -2.688
34 H LEU 6 H LEU 6 2.382 -1.551 -1.983
35 HA LEU 6 HA LEU 6 3.336 0.108 -4.188
36 HB2 LEU 6 2HB LEU 6 2.187 1.646 -2.788
37 HB3 LEU 6 1HB LEU 6 2.816 0.912 -1.334
38 HG LEU 6 HG LEU 6 5.053 1.824 -1.871
39 HD11 LEU 6 1HD1 LEU 6 3.645 3.184 -4.149
40 HD12 LEU 6 2HD1 LEU 6 4.943 1.986 -4.260
41 HD13 LEU 6 3HD1 LEU 6 5.263 3.576 -3.574
42 HD21 LEU 6 3HD2 LEU 6 3.574 3.040 -0.386
43 HD22 LEU 6 1HD2 LEU 6 2.839 3.864 -1.763
44 HD23 LEU 6 2HD2 LEU 6 4.531 4.160 -1.352
45 H CYS 7 H CYS 7 5.472 -0.248 -4.525
46 HA CYS 7 HA CYS 7 7.003 -1.552 -2.392
47 HB2 CYS 7 2HB CYS 7 7.502 -1.537 -5.371
48 HB3 CYS 7 1HB CYS 7 8.574 -2.275 -4.185
49 H ARG 8 H ARG 8 8.309 -0.420 -1.260
50 HA ARG 8 HA ARG 8 9.522 1.943 -2.500
51 HB2 ARG 8 2HB ARG 8 8.789 1.457 0.391
52 HB3 ARG 8 1HB ARG 8 9.729 2.828 -0.172
53 HG2 ARG 8 2HG ARG 8 6.900 2.230 -1.028
54 HG3 ARG 8 1HG ARG 8 7.326 3.336 0.271
55 HD2 ARG 8 2HD ARG 8 6.872 4.599 -1.740
56 HD3 ARG 8 1HD ARG 8 8.590 4.711 -1.377
57 HE ARG 8 HE ARG 8 8.075 2.595 -3.202
58 HH11 ARG 8 1HH1 ARG 8 8.128 6.135 -3.165
59 HH12 ARG 8 2HH1 ARG 8 8.703 6.260 -4.767
60 HH21 ARG 8 1HH2 ARG 8 8.879 2.763 -5.341
61 HH22 ARG 8 2HH2 ARG 8 9.174 4.289 -6.029
62 H ARG 9 H ARG 9 11.364 1.242 -3.203
63 HA ARG 9 HA ARG 9 13.451 0.463 -3.303
64 HB2 ARG 9 2HB ARG 9 13.687 2.333 -1.659
65 HB3 ARG 9 1HB ARG 9 13.501 1.172 -0.358
66 HG2 ARG 9 2HG ARG 9 15.568 0.100 -0.958
67 HG3 ARG 9 1HG ARG 9 15.741 1.138 -2.375
68 HD2 ARG 9 2HD ARG 9 15.875 3.091 -0.933
69 HD3 ARG 9 1HD ARG 9 15.668 2.073 0.489
70 HE ARG 9 HE ARG 9 17.832 1.077 -0.898
71 HH11 ARG 9 1HH1 ARG 9 17.020 4.155 0.635
72 HH12 ARG 9 2HH1 ARG 9 18.587 4.487 1.165
73 HH21 ARG 9 1HH2 ARG 9 19.991 1.527 -0.244
74 HH22 ARG 9 2HH2 ARG 9 20.356 2.943 0.639
75 H GLY 10 H GLY 10 11.642 -1.493 -3.137
76 HA2 GLY 10 2HA GLY 10 11.989 -3.811 -3.165
77 HA3 GLY 10 1HA GLY 10 13.184 -3.642 -1.889
78 H ASP 11 H ASP 11 11.230 -1.885 -0.348
79 HA ASP 11 HA ASP 11 9.946 -4.114 0.970
80 HB2 ASP 11 2HB ASP 11 11.035 -2.433 2.391
81 HB3 ASP 11 1HB ASP 11 10.029 -1.167 1.703
82 H CYS 12 H CYS 12 8.241 -4.815 -0.018
83 HA CYS 12 HA CYS 12 6.363 -2.891 -1.110
84 HB2 CYS 12 2HB CYS 12 6.274 -5.863 -1.295
85 HB3 CYS 12 1HB CYS 12 5.270 -4.730 -2.177
86 H ARG 13 H ARG 13 4.794 -2.333 -0.300
87 HA ARG 13 HA ARG 13 3.748 -3.558 2.178
88 HB2 ARG 13 2HB ARG 13 3.810 -0.622 1.484
89 HB3 ARG 13 1HB ARG 13 3.424 -1.348 3.036
90 HG2 ARG 13 2HG ARG 13 5.749 -2.094 3.241
91 HG3 ARG 13 1HG ARG 13 6.121 -1.317 1.705
92 HD2 ARG 13 2HD ARG 13 6.788 0.110 3.507
93 HD3 ARG 13 1HD ARG 13 5.409 0.833 2.681
94 HE ARG 13 HE ARG 13 4.057 0.345 4.486
95 HH11 ARG 13 1HH1 ARG 13 7.356 -0.832 5.026
96 HH12 ARG 13 2HH1 ARG 13 7.248 -0.842 6.720
97 HH21 ARG 13 1HH2 ARG 13 3.854 0.289 6.815
98 HH22 ARG 13 2HH2 ARG 13 5.176 -0.194 7.775
99 H CYS 14 H CYS 14 1.386 -2.883 2.434
100 HA CYS 14 HA CYS 14 0.323 -2.144 -0.119
101 HB2 CYS 14 2HB CYS 14 -0.832 -4.290 1.635
102 HB3 CYS 14 1HB CYS 14 -1.564 -3.666 0.171
103 H ILE 15 H ILE 15 -1.299 -0.851 -0.145
104 HA ILE 15 HA ILE 15 -1.874 0.566 2.342
105 HB ILE 15 HB ILE 15 -2.325 1.423 -0.537
106 HG12 ILE 15 2HG1 ILE 15 -0.141 2.304 1.366
107 HG13 ILE 15 1HG1 ILE 15 0.094 1.170 0.045
108 HG21 ILE 15 1HG2 ILE 15 -3.833 2.512 1.048
109 HG22 ILE 15 2HG2 ILE 15 -2.661 3.668 0.419
110 HG23 ILE 15 3HG2 ILE 15 -2.462 3.003 2.040
111 HD11 ILE 15 3HD1 ILE 15 -0.742 4.051 -0.224
112 HD12 ILE 15 1HD1 ILE 15 -0.500 2.922 -1.556
113 HD13 ILE 15 2HD1 ILE 15 0.864 3.398 -0.547
114 H CYS 16 H CYS 16 -3.753 -0.081 3.211
115 HA CYS 16 HA CYS 16 -5.883 -0.726 1.347
116 HB2 CYS 16 2HB CYS 16 -5.547 -1.694 4.169
117 HB3 CYS 16 1HB CYS 16 -6.874 -2.098 3.111
118 H THR 17 H THR 17 -7.604 0.386 1.518
119 HA THR 17 HA THR 17 -8.401 1.847 3.872
120 HB THR 17 HB THR 17 -7.944 3.370 1.284
121 HG1 THR 17 1HG THR 17 -6.255 2.810 3.365
122 HG21 THR 17 3HG2 THR 17 -8.689 4.325 4.058
123 HG22 THR 17 1HG2 THR 17 -9.760 4.241 2.661
124 HG23 THR 17 2HG2 THR 17 -8.406 5.366 2.661
125 H ARG 18 H ARG 18 -10.644 2.186 3.804
126 HA ARG 18 HA ARG 18 -12.769 1.828 3.304
127 HB2 ARG 18 2HB ARG 18 -12.100 3.531 1.540
128 HB3 ARG 18 1HB ARG 18 -11.944 2.191 0.423
129 HG2 ARG 18 2HG ARG 18 -14.263 1.633 0.797
130 HG3 ARG 18 1HG ARG 18 -14.430 3.025 1.867
131 HD2 ARG 18 2HD ARG 18 -13.643 3.149 -1.042
132 HD3 ARG 18 1HD ARG 18 -15.223 3.563 -0.380
133 HE ARG 18 HE ARG 18 -12.913 4.976 0.651
134 HH11 ARG 18 1HH1 ARG 18 -15.743 5.039 -1.473
135 HH12 ARG 18 2HH1 ARG 18 -15.751 6.734 -1.626
136 HH21 ARG 18 1HH2 ARG 18 -12.934 7.269 0.447
137 HH22 ARG 18 2HH2 ARG 18 -14.108 8.038 -0.537
Start of MODEL 7
1 H1 GLY 1 H GLY 1 -10.042 1.206 2.351
2 HA2 GLY 1 2HA GLY 1 -11.150 -0.534 3.454
3 HA3 GLY 1 1HA GLY 1 -12.411 -0.488 2.228
4 H PHE 2 H PHE 2 -9.767 -0.383 0.364
5 HA PHE 2 HA PHE 2 -9.692 -3.328 0.223
6 HB2 PHE 2 2HB PHE 2 -11.030 -2.184 -1.579
7 HB3 PHE 2 1HB PHE 2 -9.547 -1.400 -2.107
8 HD1 PHE 2 2HD PHE 2 -11.224 -4.659 -1.686
9 HD2 PHE 2 1HD PHE 2 -8.034 -2.539 -3.534
10 HE1 PHE 2 2HE PHE 2 -10.766 -6.605 -3.111
11 HE2 PHE 2 1HE PHE 2 -7.581 -4.488 -4.969
12 HZ PHE 2 HZ PHE 2 -8.944 -6.517 -4.754
13 H CYS 3 H CYS 3 -7.679 -4.265 -0.207
14 HA CYS 3 HA CYS 3 -5.445 -2.449 0.176
15 HB2 CYS 3 2HB CYS 3 -5.674 -5.381 0.586
16 HB3 CYS 3 1HB CYS 3 -4.109 -4.624 0.422
17 H ARG 4 H ARG 4 -4.096 -1.951 -0.977
18 HA ARG 4 HA ARG 4 -3.650 -3.191 -3.593
19 HB2 ARG 4 2HB ARG 4 -4.949 -1.073 -3.801
20 HB3 ARG 4 1HB ARG 4 -3.723 -0.248 -2.862
21 HG2 ARG 4 2HG ARG 4 -2.132 -0.444 -4.625
22 HG3 ARG 4 1HG ARG 4 -3.197 -1.520 -5.538
23 HD2 ARG 4 2HD ARG 4 -3.805 1.349 -4.831
24 HD3 ARG 4 1HD ARG 4 -3.255 0.786 -6.408
25 HE ARG 4 HE ARG 4 -5.448 -0.730 -5.807
26 HH11 ARG 4 1HH1 ARG 4 -4.882 2.764 -6.251
27 HH12 ARG 4 2HH1 ARG 4 -6.451 3.065 -6.826
28 HH21 ARG 4 1HH2 ARG 4 -7.615 -0.260 -6.620
29 HH22 ARG 4 2HH2 ARG 4 -8.019 1.330 -7.047
30 H CYS 5 H CYS 5 -1.285 -2.839 -4.214
31 HA CYS 5 HA CYS 5 0.094 -2.547 -1.711
32 HB2 CYS 5 2HB CYS 5 1.019 -4.253 -3.983
33 HB3 CYS 5 1HB CYS 5 1.608 -4.237 -2.333
34 H LEU 6 H LEU 6 1.816 -1.431 -1.562
35 HA LEU 6 HA LEU 6 2.690 0.068 -3.945
36 HB2 LEU 6 2HB LEU 6 2.221 1.165 -1.162
37 HB3 LEU 6 1HB LEU 6 3.222 1.995 -2.325
38 HG LEU 6 HG LEU 6 1.189 2.137 -3.834
39 HD11 LEU 6 1HD1 LEU 6 -1.019 1.915 -2.844
40 HD12 LEU 6 2HD1 LEU 6 -0.297 1.277 -1.368
41 HD13 LEU 6 3HD1 LEU 6 -0.162 0.371 -2.878
42 HD21 LEU 6 3HD2 LEU 6 1.010 3.486 -1.149
43 HD22 LEU 6 1HD2 LEU 6 0.197 4.007 -2.626
44 HD23 LEU 6 2HD2 LEU 6 1.960 4.029 -2.532
45 H CYS 7 H CYS 7 4.899 0.660 -4.014
46 HA CYS 7 HA CYS 7 6.521 -0.993 -2.229
47 HB2 CYS 7 2HB CYS 7 7.180 -0.171 -5.050
48 HB3 CYS 7 1HB CYS 7 8.107 -1.255 -4.021
49 H ARG 8 H ARG 8 7.920 -0.200 -1.021
50 HA ARG 8 HA ARG 8 8.854 2.539 -1.506
51 HB2 ARG 8 2HB ARG 8 8.269 1.220 1.155
52 HB3 ARG 8 1HB ARG 8 8.983 2.808 0.933
53 HG2 ARG 8 2HG ARG 8 6.206 1.983 0.093
54 HG3 ARG 8 1HG ARG 8 6.621 2.982 1.490
55 HD2 ARG 8 2HD ARG 8 7.552 4.679 0.027
56 HD3 ARG 8 1HD ARG 8 7.241 3.673 -1.381
57 HE ARG 8 HE ARG 8 5.157 4.774 0.348
58 HH11 ARG 8 1HH1 ARG 8 6.225 3.667 -2.859
59 HH12 ARG 8 2HH1 ARG 8 5.010 4.485 -3.704
60 HH21 ARG 8 1HH2 ARG 8 3.407 5.847 -0.860
61 HH22 ARG 8 2HH2 ARG 8 3.365 5.703 -2.559
62 H ARG 9 H ARG 9 10.746 2.113 -2.364
63 HA ARG 9 HA ARG 9 12.947 1.644 -2.525
64 HB2 ARG 9 2HB ARG 9 12.887 2.824 -0.269
65 HB3 ARG 9 1HB ARG 9 12.866 1.244 0.482
66 HG2 ARG 9 2HG ARG 9 15.092 2.178 0.542
67 HG3 ARG 9 1HG ARG 9 15.051 0.759 -0.504
68 HD2 ARG 9 2HD ARG 9 14.964 2.178 -2.472
69 HD3 ARG 9 1HD ARG 9 14.902 3.619 -1.455
70 HE ARG 9 HE ARG 9 17.154 2.334 -0.669
71 HH11 ARG 9 1HH1 ARG 9 16.028 3.381 -3.855
72 HH12 ARG 9 2HH1 ARG 9 17.588 3.748 -4.425
73 HH21 ARG 9 1HH2 ARG 9 19.260 2.784 -1.474
74 HH22 ARG 9 2HH2 ARG 9 19.449 3.418 -3.059
75 H GLY 10 H GLY 10 11.231 -0.364 -3.069
76 HA2 GLY 10 2HA GLY 10 11.706 -2.529 -3.857
77 HA3 GLY 10 1HA GLY 10 12.927 -2.690 -2.602
78 H ASP 11 H ASP 11 10.746 -1.498 -0.764
79 HA ASP 11 HA ASP 11 9.791 -4.107 0.058
80 HB2 ASP 11 2HB ASP 11 10.775 -2.557 1.710
81 HB3 ASP 11 1HB ASP 11 9.494 -1.399 1.371
82 H CYS 12 H CYS 12 8.186 -4.639 -1.343
83 HA CYS 12 HA CYS 12 5.970 -2.785 -1.689
84 HB2 CYS 12 2HB CYS 12 6.207 -5.594 -2.622
85 HB3 CYS 12 1HB CYS 12 5.033 -4.418 -3.155
86 H ARG 13 H ARG 13 4.478 -2.690 -0.536
87 HA ARG 13 HA ARG 13 3.839 -4.881 1.272
88 HB2 ARG 13 2HB ARG 13 5.421 -3.264 2.330
89 HB3 ARG 13 1HB ARG 13 4.208 -2.018 2.126
90 HG2 ARG 13 2HG ARG 13 2.827 -2.925 3.753
91 HG3 ARG 13 1HG ARG 13 3.595 -4.516 3.648
92 HD2 ARG 13 2HD ARG 13 4.841 -1.994 4.712
93 HD3 ARG 13 1HD ARG 13 4.327 -3.391 5.671
94 HE ARG 13 HE ARG 13 6.613 -3.234 3.842
95 HH11 ARG 13 1HH1 ARG 13 4.804 -5.126 6.251
96 HH12 ARG 13 2HH1 ARG 13 6.015 -6.316 6.378
97 HH21 ARG 13 1HH2 ARG 13 8.217 -4.881 4.026
98 HH22 ARG 13 2HH2 ARG 13 7.996 -6.170 5.126
99 H CYS 14 H CYS 14 1.675 -4.931 1.834
100 HA CYS 14 HA CYS 14 0.177 -3.272 0.049
101 HB2 CYS 14 2HB CYS 14 -0.771 -5.732 1.474
102 HB3 CYS 14 1HB CYS 14 -1.617 -4.883 0.186
103 H ILE 15 H ILE 15 -1.375 -1.993 0.594
104 HA ILE 15 HA ILE 15 -2.014 -1.695 3.438
105 HB ILE 15 HB ILE 15 -0.284 -0.065 2.850
106 HG12 ILE 15 2HG1 ILE 15 -1.441 2.052 3.496
107 HG13 ILE 15 1HG1 ILE 15 -2.987 1.251 3.240
108 HG21 ILE 15 1HG2 ILE 15 -0.677 1.745 1.237
109 HG22 ILE 15 2HG2 ILE 15 -2.169 0.947 0.745
110 HG23 ILE 15 3HG2 ILE 15 -0.618 0.146 0.491
111 HD11 ILE 15 3HD1 ILE 15 -0.907 0.454 5.261
112 HD12 ILE 15 1HD1 ILE 15 -2.476 -0.308 5.037
113 HD13 ILE 15 2HD1 ILE 15 -2.388 1.359 5.602
114 H CYS 16 H CYS 16 -4.158 -1.026 3.837
115 HA CYS 16 HA CYS 16 -5.842 -1.022 1.463
116 HB2 CYS 16 2HB CYS 16 -6.511 -1.392 4.351
117 HB3 CYS 16 1HB CYS 16 -7.721 -1.061 3.153
118 H THR 17 H THR 17 -6.924 0.421 0.849
119 HA THR 17 HA THR 17 -7.275 2.880 2.320
120 HB THR 17 HB THR 17 -6.345 2.793 -0.559
121 HG1 THR 17 1HG THR 17 -4.972 2.750 1.825
122 HG21 THR 17 3HG2 THR 17 -5.971 5.214 -0.277
123 HG22 THR 17 1HG2 THR 17 -6.534 5.110 1.390
124 HG23 THR 17 2HG2 THR 17 -7.650 4.794 0.064
125 H ARG 18 H ARG 18 -9.271 3.702 1.821
126 HA ARG 18 HA ARG 18 -11.430 3.722 1.223
127 HB2 ARG 18 2HB ARG 18 -10.399 4.130 -1.035
128 HB3 ARG 18 1HB ARG 18 -10.501 2.407 -1.350
129 HG2 ARG 18 2HG ARG 18 -12.924 2.573 -0.969
130 HG3 ARG 18 1HG ARG 18 -12.757 4.321 -0.915
131 HD2 ARG 18 2HD ARG 18 -11.803 4.314 -3.167
132 HD3 ARG 18 1HD ARG 18 -11.996 2.558 -3.240
133 HE ARG 18 HE ARG 18 -14.409 3.971 -2.645
134 HH11 ARG 18 1HH1 ARG 18 -12.353 2.831 -5.295
135 HH12 ARG 18 2HH1 ARG 18 -13.610 2.826 -6.436
136 HH21 ARG 18 1HH2 ARG 18 -16.110 3.996 -4.208
137 HH22 ARG 18 2HH2 ARG 18 -15.825 3.528 -5.808
Start of MODEL 8
1 H1 GLY 1 H GLY 1 -11.258 0.049 2.800
2 HA2 GLY 1 2HA GLY 1 -11.905 -2.160 2.949
3 HA3 GLY 1 1HA GLY 1 -13.189 -1.821 1.795
4 H PHE 2 H PHE 2 -10.174 -0.792 0.676
5 HA PHE 2 HA PHE 2 -9.835 -3.246 -0.885
6 HB2 PHE 2 2HB PHE 2 -10.900 -1.458 -2.228
7 HB3 PHE 2 1HB PHE 2 -9.584 -0.369 -1.827
8 HD1 PHE 2 1HD PHE 2 -10.499 -3.404 -3.699
9 HD2 PHE 2 2HD PHE 2 -7.542 -0.416 -3.068
10 HE1 PHE 2 1HE PHE 2 -9.313 -4.158 -5.715
11 HE2 PHE 2 2HE PHE 2 -6.350 -1.167 -5.086
12 HZ PHE 2 HZ PHE 2 -7.232 -3.041 -6.408
13 H CYS 3 H CYS 3 -7.639 -3.803 -1.293
14 HA CYS 3 HA CYS 3 -5.721 -2.098 0.111
15 HB2 CYS 3 2HB CYS 3 -5.496 -5.035 -0.429
16 HB3 CYS 3 1HB CYS 3 -4.277 -4.064 0.360
17 H ARG 4 H ARG 4 -4.397 -1.138 -0.984
18 HA ARG 4 HA ARG 4 -3.785 -1.986 -3.736
19 HB2 ARG 4 2HB ARG 4 -3.368 0.384 -4.290
20 HB3 ARG 4 1HB ARG 4 -5.005 0.171 -3.691
21 HG2 ARG 4 2HG ARG 4 -4.243 1.024 -1.480
22 HG3 ARG 4 1HG ARG 4 -2.658 1.330 -2.189
23 HD2 ARG 4 2HD ARG 4 -3.732 2.798 -3.857
24 HD3 ARG 4 1HD ARG 4 -5.277 2.555 -3.040
25 HE ARG 4 HE ARG 4 -2.958 3.715 -1.668
26 HH11 ARG 4 1HH1 ARG 4 -6.358 3.965 -2.647
27 HH12 ARG 4 2HH1 ARG 4 -6.644 5.423 -1.836
28 HH21 ARG 4 1HH2 ARG 4 -3.353 5.737 -0.529
29 HH22 ARG 4 2HH2 ARG 4 -4.907 6.435 -0.553
30 H CYS 5 H CYS 5 -1.578 -2.220 -4.224
31 HA CYS 5 HA CYS 5 0.023 -1.881 -1.849
32 HB2 CYS 5 2HB CYS 5 0.364 -3.945 -4.006
33 HB3 CYS 5 1HB CYS 5 1.342 -3.790 -2.553
34 H LEU 6 H LEU 6 2.123 -1.297 -1.998
35 HA LEU 6 HA LEU 6 3.004 -0.100 -4.537
36 HB2 LEU 6 2HB LEU 6 3.150 1.164 -1.795
37 HB3 LEU 6 1HB LEU 6 3.918 1.793 -3.233
38 HG LEU 6 HG LEU 6 0.933 1.541 -2.857
39 HD11 LEU 6 1HD1 LEU 6 1.906 3.164 -1.330
40 HD12 LEU 6 2HD1 LEU 6 0.991 3.969 -2.605
41 HD13 LEU 6 3HD1 LEU 6 2.751 3.931 -2.673
42 HD21 LEU 6 3HD2 LEU 6 2.593 2.908 -4.974
43 HD22 LEU 6 1HD2 LEU 6 0.838 2.989 -4.827
44 HD23 LEU 6 2HD2 LEU 6 1.620 1.452 -5.195
45 H CYS 7 H CYS 7 5.359 0.125 -4.586
46 HA CYS 7 HA CYS 7 6.707 -1.350 -2.472
47 HB2 CYS 7 2HB CYS 7 7.344 -1.584 -5.421
48 HB3 CYS 7 1HB CYS 7 8.224 -2.378 -4.120
49 H ARG 8 H ARG 8 8.430 -0.444 -1.670
50 HA ARG 8 HA ARG 8 9.816 1.676 -3.086
51 HB2 ARG 8 2HB ARG 8 9.751 3.093 -1.007
52 HB3 ARG 8 1HB ARG 8 8.198 2.973 -1.822
53 HG2 ARG 8 2HG ARG 8 7.304 1.584 -0.158
54 HG3 ARG 8 1HG ARG 8 8.898 1.167 0.471
55 HD2 ARG 8 2HD ARG 8 7.672 2.717 1.944
56 HD3 ARG 8 1HD ARG 8 9.185 3.381 1.343
57 HE ARG 8 HE ARG 8 6.745 4.078 -0.091
58 HH11 ARG 8 1HH1 ARG 8 9.247 5.044 2.216
59 HH12 ARG 8 2HH1 ARG 8 8.904 6.708 2.112
60 HH21 ARG 8 1HH2 ARG 8 6.275 6.345 -0.223
61 HH22 ARG 8 2HH2 ARG 8 7.184 7.473 0.675
62 H ARG 9 H ARG 9 11.995 1.700 -2.451
63 HA ARG 9 HA ARG 9 13.948 1.029 -1.458
64 HB2 ARG 9 2HB ARG 9 12.779 1.749 0.659
65 HB3 ARG 9 1HB ARG 9 12.179 0.114 0.850
66 HG2 ARG 9 2HG ARG 9 14.586 -0.623 0.982
67 HG3 ARG 9 1HG ARG 9 15.019 1.083 1.064
68 HD2 ARG 9 2HD ARG 9 14.919 0.238 3.306
69 HD3 ARG 9 1HD ARG 9 13.529 1.287 3.054
70 HE ARG 9 HE ARG 9 12.570 -1.182 2.476
71 HH11 ARG 9 1HH1 ARG 9 14.236 0.170 5.290
72 HH12 ARG 9 2HH1 ARG 9 13.514 -0.866 6.420
73 HH21 ARG 9 1HH2 ARG 9 11.505 -2.680 4.132
74 HH22 ARG 9 2HH2 ARG 9 11.975 -2.481 5.745
75 H GLY 10 H GLY 10 11.969 -0.907 -2.851
76 HA2 GLY 10 2HA GLY 10 12.162 -3.110 -3.631
77 HA3 GLY 10 1HA GLY 10 13.559 -3.320 -2.571
78 H ASP 11 H ASP 11 10.940 -1.953 -1.056
79 HA ASP 11 HA ASP 11 10.240 -4.432 0.344
80 HB2 ASP 11 2HB ASP 11 11.441 -2.712 1.688
81 HB3 ASP 11 1HB ASP 11 10.212 -1.540 1.258
82 H CYS 12 H CYS 12 8.302 -5.066 -0.519
83 HA CYS 12 HA CYS 12 6.507 -3.021 -1.422
84 HB2 CYS 12 2HB CYS 12 6.207 -6.007 -1.519
85 HB3 CYS 12 1HB CYS 12 5.065 -4.862 -2.199
86 H ARG 13 H ARG 13 4.592 -2.557 -0.694
87 HA ARG 13 HA ARG 13 3.934 -3.491 1.989
88 HB2 ARG 13 2HB ARG 13 5.563 -1.587 2.023
89 HB3 ARG 13 1HB ARG 13 4.356 -0.615 1.219
90 HG2 ARG 13 2HG ARG 13 2.922 -0.684 3.119
91 HG3 ARG 13 1HG ARG 13 3.955 -1.887 3.911
92 HD2 ARG 13 2HD ARG 13 4.701 0.954 3.221
93 HD3 ARG 13 1HD ARG 13 4.454 0.289 4.837
94 HE ARG 13 HE ARG 13 6.369 -1.275 3.588
95 HH11 ARG 13 1HH1 ARG 13 6.157 2.059 4.764
96 HH12 ARG 13 2HH1 ARG 13 7.825 2.231 5.006
97 HH21 ARG 13 1HH2 ARG 13 8.586 -1.065 3.814
98 HH22 ARG 13 2HH2 ARG 13 9.295 0.384 4.405
99 H CYS 14 H CYS 14 1.716 -3.373 2.311
100 HA CYS 14 HA CYS 14 0.308 -2.260 0.061
101 HB2 CYS 14 2HB CYS 14 -0.609 -4.483 1.868
102 HB3 CYS 14 1HB CYS 14 -1.573 -3.780 0.585
103 H ILE 15 H ILE 15 -1.367 -0.996 0.323
104 HA ILE 15 HA ILE 15 -1.801 0.175 2.988
105 HB ILE 15 HB ILE 15 -2.197 1.384 0.221
106 HG12 ILE 15 2HG1 ILE 15 0.190 1.163 0.729
107 HG13 ILE 15 1HG1 ILE 15 -0.288 2.854 0.718
108 HG21 ILE 15 1HG2 ILE 15 -2.594 3.514 1.348
109 HG22 ILE 15 2HG2 ILE 15 -2.470 2.707 2.909
110 HG23 ILE 15 3HG2 ILE 15 -3.787 2.293 1.806
111 HD11 ILE 15 3HD1 ILE 15 1.263 2.388 2.522
112 HD12 ILE 15 1HD1 ILE 15 0.180 1.149 3.162
113 HD13 ILE 15 2HD1 ILE 15 -0.313 2.845 3.169
114 H CYS 16 H CYS 16 -3.836 -0.172 3.767
115 HA CYS 16 HA CYS 16 -5.862 -0.965 1.807
116 HB2 CYS 16 2HB CYS 16 -5.752 -1.786 4.685
117 HB3 CYS 16 1HB CYS 16 -6.958 -2.278 3.524
118 H THR 17 H THR 17 -7.551 0.117 1.702
119 HA THR 17 HA THR 17 -8.685 1.711 3.735
120 HB THR 17 HB THR 17 -6.835 3.199 3.262
121 HG1 THR 17 1HG THR 17 -8.227 4.685 3.509
122 HG21 THR 17 3HG2 THR 17 -6.190 2.437 1.042
123 HG22 THR 17 1HG2 THR 17 -6.462 4.180 1.009
124 HG23 THR 17 2HG2 THR 17 -7.684 3.085 0.362
125 H ARG 18 H ARG 18 -10.665 2.552 3.037
126 HA ARG 18 HA ARG 18 -12.644 2.593 1.943
127 HB2 ARG 18 2HB ARG 18 -11.058 3.619 0.179
128 HB3 ARG 18 1HB ARG 18 -11.111 2.053 -0.598
129 HG2 ARG 18 2HG ARG 18 -13.549 2.272 -0.723
130 HG3 ARG 18 1HG ARG 18 -13.409 3.930 -0.147
131 HD2 ARG 18 2HD ARG 18 -12.254 2.784 -2.695
132 HD3 ARG 18 1HD ARG 18 -13.472 4.049 -2.546
133 HE ARG 18 HE ARG 18 -11.370 5.089 -1.229
134 HH11 ARG 18 1HH1 ARG 18 -11.773 3.797 -4.506
135 HH12 ARG 18 2HH1 ARG 18 -10.478 4.650 -5.181
136 HH21 ARG 18 1HH2 ARG 18 -9.494 6.292 -2.181
137 HH22 ARG 18 2HH2 ARG 18 -9.155 6.093 -3.823
Start of MODEL 9
1 H1 GLY 1 H GLY 1 -10.450 0.241 2.910
2 HA2 GLY 1 2HA GLY 1 -11.341 -1.938 2.941
3 HA3 GLY 1 1HA GLY 1 -12.710 -1.365 1.999
4 H PHE 2 H PHE 2 -10.435 0.027 0.312
5 HA PHE 2 HA PHE 2 -10.183 -2.270 -1.478
6 HB2 PHE 2 2HB PHE 2 -11.128 -0.136 -2.367
7 HB3 PHE 2 1HB PHE 2 -9.606 0.655 -1.971
8 HD1 PHE 2 1HD PHE 2 -11.225 -1.820 -4.151
9 HD2 PHE 2 2HD PHE 2 -7.706 0.460 -3.417
10 HE1 PHE 2 1HE PHE 2 -10.376 -2.413 -6.381
11 HE2 PHE 2 2HE PHE 2 -6.856 -0.131 -5.648
12 HZ PHE 2 HZ PHE 2 -8.195 -1.567 -7.130
13 H CYS 3 H CYS 3 -8.206 -3.095 -1.975
14 HA CYS 3 HA CYS 3 -5.989 -1.937 -0.463
15 HB2 CYS 3 2HB CYS 3 -6.380 -4.832 -1.199
16 HB3 CYS 3 1HB CYS 3 -5.102 -4.148 -0.192
17 H ARG 4 H ARG 4 -4.028 -1.749 -1.325
18 HA ARG 4 HA ARG 4 -3.522 -2.581 -4.055
19 HB2 ARG 4 2HB ARG 4 -4.581 -0.325 -4.215
20 HB3 ARG 4 1HB ARG 4 -3.360 0.302 -3.123
21 HG2 ARG 4 2HG ARG 4 -1.625 -0.189 -4.774
22 HG3 ARG 4 1HG ARG 4 -2.852 -0.844 -5.859
23 HD2 ARG 4 2HD ARG 4 -2.274 1.457 -6.472
24 HD3 ARG 4 1HD ARG 4 -3.943 1.328 -5.949
25 HE ARG 4 HE ARG 4 -3.286 2.266 -3.827
26 HH11 ARG 4 1HH1 ARG 4 -1.011 2.745 -6.515
27 HH12 ARG 4 2HH1 ARG 4 -0.322 4.152 -5.851
28 HH21 ARG 4 1HH2 ARG 4 -2.267 4.192 -2.908
29 HH22 ARG 4 2HH2 ARG 4 -1.040 4.975 -3.792
30 H CYS 5 H CYS 5 -1.210 -2.731 -4.372
31 HA CYS 5 HA CYS 5 0.150 -2.583 -1.837
32 HB2 CYS 5 2HB CYS 5 0.917 -4.208 -4.239
33 HB3 CYS 5 1HB CYS 5 1.699 -4.235 -2.668
34 H LEU 6 H LEU 6 2.205 -1.786 -1.642
35 HA LEU 6 HA LEU 6 3.114 -0.081 -3.847
36 HB2 LEU 6 2HB LEU 6 3.061 0.602 -0.905
37 HB3 LEU 6 1HB LEU 6 3.785 1.581 -2.158
38 HG LEU 6 HG LEU 6 0.834 0.983 -1.914
39 HD11 LEU 6 1HD1 LEU 6 2.394 3.484 -1.277
40 HD12 LEU 6 2HD1 LEU 6 1.652 2.400 -0.104
41 HD13 LEU 6 3HD1 LEU 6 0.638 3.313 -1.222
42 HD21 LEU 6 3HD2 LEU 6 0.584 2.728 -3.612
43 HD22 LEU 6 1HD2 LEU 6 1.533 1.375 -4.224
44 HD23 LEU 6 2HD2 LEU 6 2.339 2.864 -3.735
45 H CYS 7 H CYS 7 5.178 -0.460 -4.323
46 HA CYS 7 HA CYS 7 6.846 -1.631 -2.269
47 HB2 CYS 7 2HB CYS 7 7.117 -1.749 -5.286
48 HB3 CYS 7 1HB CYS 7 8.372 -2.289 -4.171
49 H ARG 8 H ARG 8 8.196 -0.369 -1.367
50 HA ARG 8 HA ARG 8 8.795 2.225 -2.617
51 HB2 ARG 8 2HB ARG 8 8.634 1.442 0.289
52 HB3 ARG 8 1HB ARG 8 8.954 3.051 -0.333
53 HG2 ARG 8 2HG ARG 8 6.744 3.240 -1.204
54 HG3 ARG 8 1HG ARG 8 6.418 1.538 -0.870
55 HD2 ARG 8 2HD ARG 8 6.997 3.650 1.197
56 HD3 ARG 8 1HD ARG 8 5.398 3.015 0.803
57 HE ARG 8 HE ARG 8 7.186 0.918 1.493
58 HH11 ARG 8 1HH1 ARG 8 5.249 3.493 2.961
59 HH12 ARG 8 2HH1 ARG 8 5.060 2.697 4.446
60 HH21 ARG 8 1HH2 ARG 8 6.959 -0.169 3.504
61 HH22 ARG 8 2HH2 ARG 8 6.071 0.543 4.776
62 H ARG 9 H ARG 9 10.721 1.644 -3.567
63 HA ARG 9 HA ARG 9 12.913 1.236 -3.804
64 HB2 ARG 9 2HB ARG 9 12.900 3.216 -2.213
65 HB3 ARG 9 1HB ARG 9 13.128 2.070 -0.906
66 HG2 ARG 9 2HG ARG 9 15.282 1.406 -1.856
67 HG3 ARG 9 1HG ARG 9 15.050 2.546 -3.182
68 HD2 ARG 9 2HD ARG 9 15.272 3.225 -0.239
69 HD3 ARG 9 1HD ARG 9 16.486 3.506 -1.478
70 HE ARG 9 HE ARG 9 14.926 5.067 -2.526
71 HH11 ARG 9 1HH1 ARG 9 14.321 4.275 0.877
72 HH12 ARG 9 2HH1 ARG 9 13.623 5.790 1.245
73 HH21 ARG 9 1HH2 ARG 9 13.908 7.095 -2.022
74 HH22 ARG 9 2HH2 ARG 9 13.350 7.425 -0.442
75 H GLY 10 H GLY 10 11.429 -0.968 -3.312
76 HA2 GLY 10 2HA GLY 10 12.246 -3.200 -3.234
77 HA3 GLY 10 1HA GLY 10 13.391 -2.707 -2.002
78 H ASP 11 H ASP 11 11.225 -1.209 -0.573
79 HA ASP 11 HA ASP 11 10.364 -3.476 1.015
80 HB2 ASP 11 2HB ASP 11 11.243 -1.537 2.198
81 HB3 ASP 11 1HB ASP 11 10.029 -0.503 1.459
82 H CYS 12 H CYS 12 8.688 -4.531 0.241
83 HA CYS 12 HA CYS 12 6.475 -2.979 -0.849
84 HB2 CYS 12 2HB CYS 12 6.899 -5.939 -0.914
85 HB3 CYS 12 1HB CYS 12 5.627 -5.063 -1.730
86 H ARG 13 H ARG 13 4.670 -2.852 -0.065
87 HA ARG 13 HA ARG 13 3.769 -4.494 2.158
88 HB2 ARG 13 2HB ARG 13 4.969 -2.713 3.302
89 HB3 ARG 13 1HB ARG 13 4.159 -1.497 2.331
90 HG2 ARG 13 2HG ARG 13 2.040 -2.036 3.408
91 HG3 ARG 13 1HG ARG 13 2.830 -3.295 4.354
92 HD2 ARG 13 2HD ARG 13 4.204 -1.685 5.473
93 HD3 ARG 13 1HD ARG 13 3.625 -0.388 4.428
94 HE ARG 13 HE ARG 13 1.381 -1.368 5.577
95 HH11 ARG 13 1HH1 ARG 13 4.417 -0.173 6.926
96 HH12 ARG 13 2HH1 ARG 13 3.721 0.564 8.270
97 HH21 ARG 13 1HH2 ARG 13 0.376 -0.387 7.464
98 HH22 ARG 13 2HH2 ARG 13 1.355 0.428 8.586
99 H CYS 14 H CYS 14 1.563 -4.750 2.035
100 HA CYS 14 HA CYS 14 0.334 -3.155 -0.011
101 HB2 CYS 14 2HB CYS 14 -0.762 -5.641 1.282
102 HB3 CYS 14 1HB CYS 14 -1.506 -4.775 -0.042
103 H ILE 15 H ILE 15 -1.385 -1.914 0.289
104 HA ILE 15 HA ILE 15 -2.016 -1.387 3.097
105 HB ILE 15 HB ILE 15 -0.440 0.301 2.280
106 HG12 ILE 15 2HG1 ILE 15 -1.794 2.381 2.698
107 HG13 ILE 15 1HG1 ILE 15 -3.239 1.378 2.658
108 HG21 ILE 15 1HG2 ILE 15 -2.459 0.935 0.141
109 HG22 ILE 15 2HG2 ILE 15 -0.859 0.226 -0.082
110 HG23 ILE 15 3HG2 ILE 15 -1.014 1.883 0.496
111 HD11 ILE 15 3HD1 ILE 15 -2.532 1.869 4.925
112 HD12 ILE 15 1HD1 ILE 15 -0.967 1.123 4.613
113 HD13 ILE 15 2HD1 ILE 15 -2.437 0.142 4.592
114 H CYS 16 H CYS 16 -4.114 -1.069 3.558
115 HA CYS 16 HA CYS 16 -5.945 -1.015 1.295
116 HB2 CYS 16 2HB CYS 16 -6.487 -1.979 4.097
117 HB3 CYS 16 1HB CYS 16 -7.609 -2.018 2.755
118 H THR 17 H THR 17 -7.428 0.450 1.182
119 HA THR 17 HA THR 17 -7.828 2.297 3.333
120 HB THR 17 HB THR 17 -6.127 3.466 2.304
121 HG1 THR 17 1HG THR 17 -7.476 5.050 2.545
122 HG21 THR 17 3HG2 THR 17 -7.367 2.898 -0.395
123 HG22 THR 17 1HG2 THR 17 -5.860 2.228 0.229
124 HG23 THR 17 2HG2 THR 17 -5.969 3.950 -0.141
125 H ARG 18 H ARG 18 -9.769 2.707 3.564
126 HA ARG 18 HA ARG 18 -11.991 2.717 3.431
127 HB2 ARG 18 2HB ARG 18 -11.378 4.462 1.680
128 HB3 ARG 18 1HB ARG 18 -11.630 3.219 0.469
129 HG2 ARG 18 2HG ARG 18 -13.906 2.964 1.250
130 HG3 ARG 18 1HG ARG 18 -13.680 4.287 2.383
131 HD2 ARG 18 2HD ARG 18 -13.445 4.479 -0.625
132 HD3 ARG 18 1HD ARG 18 -14.767 5.111 0.348
133 HE ARG 18 HE ARG 18 -12.664 6.349 1.416
134 HH11 ARG 18 1HH1 ARG 18 -13.726 5.999 -1.953
135 HH12 ARG 18 2HH1 ARG 18 -13.012 7.432 -2.487
136 HH21 ARG 18 1HH2 ARG 18 -11.668 8.420 0.640
137 HH22 ARG 18 2HH2 ARG 18 -11.867 8.818 -1.008
Start of MODEL 10
1 H1 GLY 1 H GLY 1 -11.009 -0.447 2.873
2 HA2 GLY 1 2HA GLY 1 -11.664 -2.689 2.573
3 HA3 GLY 1 1HA GLY 1 -13.009 -2.130 1.590
4 H PHE 2 H PHE 2 -10.478 -0.466 0.439
5 HA PHE 2 HA PHE 2 -10.031 -2.383 -1.734
6 HB2 PHE 2 2HB PHE 2 -11.003 -0.128 -2.271
7 HB3 PHE 2 1HB PHE 2 -9.554 0.615 -1.623
8 HD1 PHE 2 2HD PHE 2 -11.002 -1.273 -4.391
9 HD2 PHE 2 1HD PHE 2 -7.478 0.588 -2.898
10 HE1 PHE 2 2HE PHE 2 -9.992 -1.389 -6.632
11 HE2 PHE 2 1HE PHE 2 -6.470 0.474 -5.135
12 HZ PHE 2 HZ PHE 2 -7.727 -0.518 -7.003
13 H CYS 3 H CYS 3 -7.887 -2.909 -2.274
14 HA CYS 3 HA CYS 3 -5.869 -1.858 -0.425
15 HB2 CYS 3 2HB CYS 3 -5.982 -4.644 -1.545
16 HB3 CYS 3 1HB CYS 3 -4.704 -4.000 -0.539
17 H ARG 4 H ARG 4 -4.230 -1.004 -1.259
18 HA ARG 4 HA ARG 4 -3.439 -1.614 -3.988
19 HB2 ARG 4 2HB ARG 4 -2.879 0.881 -4.252
20 HB3 ARG 4 1HB ARG 4 -4.572 0.431 -4.336
21 HG2 ARG 4 2HG ARG 4 -4.741 1.104 -1.904
22 HG3 ARG 4 1HG ARG 4 -3.123 1.791 -2.078
23 HD2 ARG 4 2HD ARG 4 -3.882 3.271 -3.817
24 HD3 ARG 4 1HD ARG 4 -5.470 2.505 -3.834
25 HE ARG 4 HE ARG 4 -4.459 3.948 -1.476
26 HH11 ARG 4 1HH1 ARG 4 -7.076 3.418 -3.886
27 HH12 ARG 4 2HH1 ARG 4 -8.103 4.532 -3.128
28 HH21 ARG 4 1HH2 ARG 4 -5.978 5.449 -0.516
29 HH22 ARG 4 2HH2 ARG 4 -7.508 5.674 -1.235
30 H CYS 5 H CYS 5 -1.226 -1.702 -4.305
31 HA CYS 5 HA CYS 5 0.153 -1.667 -1.743
32 HB2 CYS 5 2HB CYS 5 0.645 -3.500 -4.061
33 HB3 CYS 5 1HB CYS 5 1.461 -3.533 -2.504
34 H LEU 6 H LEU 6 2.280 -1.173 -1.612
35 HA LEU 6 HA LEU 6 3.433 0.231 -3.924
36 HB2 LEU 6 2HB LEU 6 3.505 1.124 -1.030
37 HB3 LEU 6 1HB LEU 6 4.520 1.794 -2.279
38 HG LEU 6 HG LEU 6 2.822 3.351 -1.875
39 HD11 LEU 6 1HD1 LEU 6 2.084 1.906 -4.385
40 HD12 LEU 6 2HD1 LEU 6 3.335 3.136 -4.183
41 HD13 LEU 6 3HD1 LEU 6 1.639 3.561 -3.977
42 HD21 LEU 6 3HD2 LEU 6 1.203 1.971 -0.693
43 HD22 LEU 6 1HD2 LEU 6 0.766 1.163 -2.199
44 HD23 LEU 6 2HD2 LEU 6 0.407 2.876 -1.981
45 H CYS 7 H CYS 7 5.403 -0.494 -4.437
46 HA CYS 7 HA CYS 7 6.989 -1.733 -2.329
47 HB2 CYS 7 2HB CYS 7 6.944 -2.332 -5.299
48 HB3 CYS 7 1HB CYS 7 8.238 -2.866 -4.228
49 H ARG 8 H ARG 8 8.529 -0.465 -1.704
50 HA ARG 8 HA ARG 8 9.507 1.630 -3.561
51 HB2 ARG 8 2HB ARG 8 9.322 1.728 -0.556
52 HB3 ARG 8 1HB ARG 8 9.775 3.040 -1.631
53 HG2 ARG 8 2HG ARG 8 7.553 3.176 -2.508
54 HG3 ARG 8 1HG ARG 8 7.074 1.719 -1.632
55 HD2 ARG 8 2HD ARG 8 7.978 4.303 -0.395
56 HD3 ARG 8 1HD ARG 8 6.304 3.760 -0.504
57 HE ARG 8 HE ARG 8 7.581 1.725 0.798
58 HH11 ARG 8 1HH1 ARG 8 7.366 5.211 1.416
59 HH12 ARG 8 2HH1 ARG 8 7.456 5.033 3.105
60 HH21 ARG 8 1HH2 ARG 8 7.701 1.509 3.071
61 HH22 ARG 8 2HH2 ARG 8 7.609 2.907 4.082
62 H ARG 9 H ARG 9 11.388 0.545 -4.262
63 HA ARG 9 HA ARG 9 13.557 -0.074 -4.257
64 HB2 ARG 9 2HB ARG 9 13.773 2.199 -3.204
65 HB3 ARG 9 1HB ARG 9 13.680 1.448 -1.628
66 HG2 ARG 9 2HG ARG 9 15.971 2.036 -2.139
67 HG3 ARG 9 1HG ARG 9 15.806 0.285 -2.086
68 HD2 ARG 9 2HD ARG 9 15.786 0.173 -4.505
69 HD3 ARG 9 1HD ARG 9 15.813 1.935 -4.620
70 HE ARG 9 HE ARG 9 17.992 1.217 -3.107
71 HH11 ARG 9 1HH1 ARG 9 16.957 0.629 -6.450
72 HH12 ARG 9 2HH1 ARG 9 18.543 0.548 -7.070
73 HH21 ARG 9 1HH2 ARG 9 20.142 1.082 -3.965
74 HH22 ARG 9 2HH2 ARG 9 20.404 0.810 -5.622
75 H GLY 10 H GLY 10 11.643 -1.840 -3.153
76 HA2 GLY 10 2HA GLY 10 12.264 -4.129 -2.555
77 HA3 GLY 10 1HA GLY 10 13.376 -3.440 -1.384
78 H ASP 11 H ASP 11 11.322 -1.413 -0.630
79 HA ASP 11 HA ASP 11 10.119 -3.015 1.435
80 HB2 ASP 11 2HB ASP 11 10.985 -0.805 2.026
81 HB3 ASP 11 1HB ASP 11 9.882 -0.044 0.887
82 H CYS 12 H CYS 12 8.606 -4.299 0.501
83 HA CYS 12 HA CYS 12 6.404 -2.968 -0.876
84 HB2 CYS 12 2HB CYS 12 6.856 -5.892 -0.410
85 HB3 CYS 12 1HB CYS 12 5.500 -5.201 -1.263
86 H ARG 13 H ARG 13 4.679 -2.604 -0.094
87 HA ARG 13 HA ARG 13 3.647 -3.930 2.254
88 HB2 ARG 13 2HB ARG 13 5.130 -2.204 3.225
89 HB3 ARG 13 1HB ARG 13 4.262 -0.965 2.335
90 HG2 ARG 13 2HG ARG 13 2.255 -1.407 3.597
91 HG3 ARG 13 1HG ARG 13 3.049 -2.740 4.438
92 HD2 ARG 13 2HD ARG 13 2.977 -0.718 5.809
93 HD3 ARG 13 1HD ARG 13 4.631 -1.192 5.432
94 HE ARG 13 HE ARG 13 4.390 0.536 3.576
95 HH11 ARG 13 1HH1 ARG 13 2.904 0.837 6.772
96 HH12 ARG 13 2HH1 ARG 13 2.911 2.533 6.789
97 HH21 ARG 13 1HH2 ARG 13 4.411 2.944 3.606
98 HH22 ARG 13 2HH2 ARG 13 3.766 3.734 4.942
99 H CYS 14 H CYS 14 1.473 -3.945 2.207
100 HA CYS 14 HA CYS 14 0.292 -2.419 0.068
101 HB2 CYS 14 2HB CYS 14 -0.774 -4.820 1.518
102 HB3 CYS 14 1HB CYS 14 -1.657 -3.939 0.291
103 H ILE 15 H ILE 15 -1.440 -1.154 0.353
104 HA ILE 15 HA ILE 15 -2.079 -0.432 3.124
105 HB ILE 15 HB ILE 15 -2.100 1.284 0.625
106 HG12 ILE 15 2HG1 ILE 15 0.189 0.858 1.387
107 HG13 ILE 15 1HG1 ILE 15 -0.245 2.540 1.646
108 HG21 ILE 15 1HG2 ILE 15 -3.870 1.960 2.124
109 HG22 ILE 15 2HG2 ILE 15 -2.592 3.173 2.104
110 HG23 ILE 15 3HG2 ILE 15 -2.726 2.064 3.465
111 HD11 ILE 15 3HD1 ILE 15 -0.620 2.051 4.031
112 HD12 ILE 15 1HD1 ILE 15 1.026 1.674 3.521
113 HD13 ILE 15 2HD1 ILE 15 -0.144 0.376 3.745
114 H CYS 16 H CYS 16 -4.090 -1.023 3.631
115 HA CYS 16 HA CYS 16 -6.050 -1.115 1.474
116 HB2 CYS 16 2HB CYS 16 -6.152 -2.539 4.122
117 HB3 CYS 16 1HB CYS 16 -7.344 -2.636 2.845
118 H THR 17 H THR 17 -7.708 0.066 1.592
119 HA THR 17 HA THR 17 -8.539 1.424 3.956
120 HB THR 17 HB THR 17 -6.815 2.926 3.414
121 HG1 THR 17 1HG THR 17 -8.714 3.975 3.883
122 HG21 THR 17 3HG2 THR 17 -6.510 3.980 1.191
123 HG22 THR 17 1HG2 THR 17 -7.785 2.939 0.552
124 HG23 THR 17 2HG2 THR 17 -6.280 2.231 1.145
125 H ARG 18 H ARG 18 -10.584 1.984 3.821
126 HA ARG 18 HA ARG 18 -12.768 2.057 3.141
127 HB2 ARG 18 2HB ARG 18 -11.764 3.716 1.523
128 HB3 ARG 18 1HB ARG 18 -11.649 2.411 0.355
129 HG2 ARG 18 2HG ARG 18 -14.157 2.152 0.756
130 HG3 ARG 18 1HG ARG 18 -14.063 3.787 1.418
131 HD2 ARG 18 2HD ARG 18 -14.588 3.987 -0.909
132 HD3 ARG 18 1HD ARG 18 -12.910 4.491 -0.672
133 HE ARG 18 HE ARG 18 -13.267 1.716 -1.347
134 HH11 ARG 18 1HH1 ARG 18 -12.491 4.951 -2.605
135 HH12 ARG 18 2HH1 ARG 18 -11.992 4.379 -4.117
136 HH21 ARG 18 1HH2 ARG 18 -12.583 0.960 -3.423
137 HH22 ARG 18 2HH2 ARG 18 -12.048 2.089 -4.602
Start of MODEL 11
1 H1 GLY 1 H GLY 1 -10.366 -1.431 3.324
2 HA2 GLY 1 2HA GLY 1 -10.728 -3.632 2.545
3 HA3 GLY 1 1HA GLY 1 -12.239 -3.108 1.821
4 H PHE 2 H PHE 2 -10.525 -0.758 0.708
5 HA PHE 2 HA PHE 2 -9.830 -2.149 -1.732
6 HB2 PHE 2 2HB PHE 2 -11.131 -0.123 -1.951
7 HB3 PHE 2 1HB PHE 2 -9.943 0.774 -1.001
8 HD1 PHE 2 2HD PHE 2 -10.314 -1.146 -4.153
9 HD2 PHE 2 1HD PHE 2 -8.292 1.974 -2.101
10 HE1 PHE 2 2HE PHE 2 -9.168 -0.519 -6.245
11 HE2 PHE 2 1HE PHE 2 -7.146 2.612 -4.182
12 HZ PHE 2 HZ PHE 2 -7.584 1.363 -6.259
13 H CYS 3 H CYS 3 -7.824 -2.563 -2.262
14 HA CYS 3 HA CYS 3 -5.705 -1.360 -0.623
15 HB2 CYS 3 2HB CYS 3 -5.887 -4.228 -1.499
16 HB3 CYS 3 1HB CYS 3 -4.459 -3.503 -0.776
17 H ARG 4 H ARG 4 -3.972 -0.693 -1.592
18 HA ARG 4 HA ARG 4 -3.352 -1.572 -4.301
19 HB2 ARG 4 2HB ARG 4 -3.436 1.262 -3.273
20 HB3 ARG 4 1HB ARG 4 -2.333 0.815 -4.561
21 HG2 ARG 4 2HG ARG 4 -5.340 0.585 -4.628
22 HG3 ARG 4 1HG ARG 4 -4.350 1.780 -5.476
23 HD2 ARG 4 2HD ARG 4 -4.420 -1.209 -5.939
24 HD3 ARG 4 1HD ARG 4 -4.928 0.062 -7.043
25 HE ARG 4 HE ARG 4 -2.507 0.788 -6.938
26 HH11 ARG 4 1HH1 ARG 4 -3.501 -2.637 -6.801
27 HH12 ARG 4 2HH1 ARG 4 -2.019 -3.202 -7.416
28 HH21 ARG 4 1HH2 ARG 4 -0.456 -0.063 -7.717
29 HH22 ARG 4 2HH2 ARG 4 -0.264 -1.739 -7.902
30 H CYS 5 H CYS 5 -1.253 -2.215 -4.511
31 HA CYS 5 HA CYS 5 0.214 -1.847 -2.066
32 HB2 CYS 5 2HB CYS 5 0.570 -4.044 -4.088
33 HB3 CYS 5 1HB CYS 5 1.410 -3.888 -2.559
34 H LEU 6 H LEU 6 2.287 -1.356 -2.065
35 HA LEU 6 HA LEU 6 3.450 -0.421 -4.589
36 HB2 LEU 6 2HB LEU 6 2.437 1.516 -3.520
37 HB3 LEU 6 1HB LEU 6 3.251 1.155 -2.015
38 HG LEU 6 HG LEU 6 5.428 1.617 -3.134
39 HD11 LEU 6 1HD1 LEU 6 3.707 2.534 -5.426
40 HD12 LEU 6 2HD1 LEU 6 4.818 1.165 -5.432
41 HD13 LEU 6 3HD1 LEU 6 5.441 2.808 -5.269
42 HD21 LEU 6 3HD2 LEU 6 5.153 4.056 -3.187
43 HD22 LEU 6 1HD2 LEU 6 4.332 3.331 -1.805
44 HD23 LEU 6 2HD2 LEU 6 3.406 3.853 -3.216
45 H CYS 7 H CYS 7 5.463 -1.130 -4.810
46 HA CYS 7 HA CYS 7 6.923 -1.939 -2.418
47 HB2 CYS 7 2HB CYS 7 7.420 -2.639 -5.327
48 HB3 CYS 7 1HB CYS 7 8.441 -3.130 -3.975
49 H ARG 8 H ARG 8 8.155 -0.568 -1.618
50 HA ARG 8 HA ARG 8 9.367 1.470 -3.347
51 HB2 ARG 8 2HB ARG 8 7.649 2.378 -1.873
52 HB3 ARG 8 1HB ARG 8 8.413 1.615 -0.492
53 HG2 ARG 8 2HG ARG 8 8.828 3.992 -0.508
54 HG3 ARG 8 1HG ARG 8 10.333 3.100 -0.720
55 HD2 ARG 8 2HD ARG 8 10.286 3.559 -3.096
56 HD3 ARG 8 1HD ARG 8 8.726 4.373 -2.932
57 HE ARG 8 HE ARG 8 10.060 5.865 -1.320
58 HH11 ARG 8 1HH1 ARG 8 11.297 4.521 -4.327
59 HH12 ARG 8 2HH1 ARG 8 12.358 5.787 -4.685
60 HH21 ARG 8 1HH2 ARG 8 11.529 7.632 -1.740
61 HH22 ARG 8 2HH2 ARG 8 12.532 7.615 -3.109
62 H ARG 9 H ARG 9 11.364 0.640 -3.677
63 HA ARG 9 HA ARG 9 13.572 0.300 -3.292
64 HB2 ARG 9 2HB ARG 9 13.296 2.308 -1.851
65 HB3 ARG 9 1HB ARG 9 12.919 1.271 -0.497
66 HG2 ARG 9 2HG ARG 9 15.216 0.350 -0.630
67 HG3 ARG 9 1HG ARG 9 15.566 1.511 -1.920
68 HD2 ARG 9 2HD ARG 9 15.010 3.343 -0.453
69 HD3 ARG 9 1HD ARG 9 14.581 2.214 0.824
70 HE ARG 9 HE ARG 9 17.292 2.194 -0.232
71 HH11 ARG 9 1HH1 ARG 9 15.069 2.774 2.453
72 HH12 ARG 9 2HH1 ARG 9 16.264 3.166 3.583
73 HH21 ARG 9 1HH2 ARG 9 18.976 2.721 1.323
74 HH22 ARG 9 2HH2 ARG 9 18.565 3.134 2.918
75 H GLY 10 H GLY 10 11.481 -1.750 -2.664
76 HA2 GLY 10 2HA GLY 10 12.092 -4.076 -2.408
77 HA3 GLY 10 1HA GLY 10 13.225 -3.591 -1.152
78 H ASP 11 H ASP 11 10.965 -1.657 -0.313
79 HA ASP 11 HA ASP 11 9.763 -3.515 1.544
80 HB2 ASP 11 2HB ASP 11 10.627 -1.422 2.446
81 HB3 ASP 11 1HB ASP 11 9.623 -0.498 1.340
82 H CYS 12 H CYS 12 8.222 -4.631 0.467
83 HA CYS 12 HA CYS 12 6.224 -3.136 -1.010
84 HB2 CYS 12 2HB CYS 12 6.366 -6.071 -0.436
85 HB3 CYS 12 1HB CYS 12 5.211 -5.292 -1.487
86 H ARG 13 H ARG 13 4.445 -2.615 -0.370
87 HA ARG 13 HA ARG 13 3.414 -3.484 2.223
88 HB2 ARG 13 2HB ARG 13 5.037 -1.544 2.482
89 HB3 ARG 13 1HB ARG 13 3.893 -0.594 1.561
90 HG2 ARG 13 2HG ARG 13 2.189 -0.964 3.264
91 HG3 ARG 13 1HG ARG 13 3.341 -1.912 4.209
92 HD2 ARG 13 2HD ARG 13 3.526 1.011 3.497
93 HD3 ARG 13 1HD ARG 13 3.302 0.297 5.096
94 HE ARG 13 HE ARG 13 5.697 -0.587 3.804
95 HH11 ARG 13 1HH1 ARG 13 4.370 2.050 5.732
96 HH12 ARG 13 2HH1 ARG 13 5.918 2.529 6.313
97 HH21 ARG 13 1HH2 ARG 13 7.678 0.037 4.580
98 HH22 ARG 13 2HH2 ARG 13 7.848 1.345 5.681
99 H CYS 14 H CYS 14 1.172 -3.085 2.318
100 HA CYS 14 HA CYS 14 0.199 -1.985 -0.137
101 HB2 CYS 14 2HB CYS 14 -1.217 -3.962 1.622
102 HB3 CYS 14 1HB CYS 14 -1.850 -3.291 0.135
103 H ILE 15 H ILE 15 -1.173 -0.480 -0.136
104 HA ILE 15 HA ILE 15 -1.831 0.834 2.393
105 HB ILE 15 HB ILE 15 -2.021 1.868 -0.463
106 HG12 ILE 15 2HG1 ILE 15 0.324 1.593 0.202
107 HG13 ILE 15 1HG1 ILE 15 -0.088 3.297 0.092
108 HG21 ILE 15 1HG2 ILE 15 -2.396 4.077 0.532
109 HG22 ILE 15 2HG2 ILE 15 -2.394 3.348 2.138
110 HG23 ILE 15 3HG2 ILE 15 -3.660 2.933 0.984
111 HD11 ILE 15 3HD1 ILE 15 0.153 1.702 2.639
112 HD12 ILE 15 1HD1 ILE 15 -0.254 3.417 2.527
113 HD13 ILE 15 2HD1 ILE 15 1.334 2.848 2.008
114 H CYS 16 H CYS 16 -3.722 0.202 3.131
115 HA CYS 16 HA CYS 16 -5.828 -0.367 1.187
116 HB2 CYS 16 2HB CYS 16 -5.413 -1.595 3.900
117 HB3 CYS 16 1HB CYS 16 -6.775 -1.913 2.839
118 H THR 17 H THR 17 -7.772 0.398 1.543
119 HA THR 17 HA THR 17 -8.395 1.764 3.959
120 HB THR 17 HB THR 17 -7.381 3.522 2.814
121 HG1 THR 17 1HG THR 17 -8.846 4.801 3.358
122 HG21 THR 17 3HG2 THR 17 -7.378 2.752 0.516
123 HG22 THR 17 1HG2 THR 17 -8.109 4.355 0.565
124 HG23 THR 17 2HG2 THR 17 -9.128 2.922 0.417
125 H ARG 18 H ARG 18 -10.285 1.379 4.463
126 HA ARG 18 HA ARG 18 -12.190 0.221 4.630
127 HB2 ARG 18 2HB ARG 18 -12.571 2.551 3.646
128 HB3 ARG 18 1HB ARG 18 -12.944 1.707 2.154
129 HG2 ARG 18 2HG ARG 18 -14.860 2.313 3.372
130 HG3 ARG 18 1HG ARG 18 -14.745 0.530 3.256
131 HD2 ARG 18 2HD ARG 18 -15.487 1.305 5.494
132 HD3 ARG 18 1HD ARG 18 -13.939 0.475 5.590
133 HE ARG 18 HE ARG 18 -13.491 3.218 5.239
134 HH11 ARG 18 1HH1 ARG 18 -14.752 1.064 7.749
135 HH12 ARG 18 2HH1 ARG 18 -14.257 2.061 9.037
136 HH21 ARG 18 1HH2 ARG 18 -12.795 4.552 6.989
137 HH22 ARG 18 2HH2 ARG 18 -13.094 4.103 8.602
Start of MODEL 12
1 H1 GLY 1 H GLY 1 -11.024 -0.741 3.152
2 HA2 GLY 1 2HA GLY 1 -11.585 -2.929 2.690
3 HA3 GLY 1 1HA GLY 1 -12.949 -2.350 1.748
4 H PHE 2 H PHE 2 -10.204 -0.731 0.796
5 HA PHE 2 HA PHE 2 -9.785 -2.620 -1.399
6 HB2 PHE 2 2HB PHE 2 -10.918 -0.723 -2.306
7 HB3 PHE 2 1HB PHE 2 -9.875 0.394 -1.429
8 HD1 PHE 2 1HD PHE 2 -9.572 -2.354 -3.950
9 HD2 PHE 2 2HD PHE 2 -8.249 1.468 -2.649
10 HE1 PHE 2 1HE PHE 2 -8.100 -2.198 -5.917
11 HE2 PHE 2 2HE PHE 2 -6.776 1.632 -4.606
12 HZ PHE 2 HZ PHE 2 -6.696 -0.204 -6.243
13 H CYS 3 H CYS 3 -7.827 -3.234 -1.762
14 HA CYS 3 HA CYS 3 -5.654 -1.912 -0.309
15 HB2 CYS 3 2HB CYS 3 -5.806 -4.741 -1.334
16 HB3 CYS 3 1HB CYS 3 -4.378 -4.025 -0.620
17 H ARG 4 H ARG 4 -4.072 -1.091 -1.389
18 HA ARG 4 HA ARG 4 -3.581 -1.872 -4.157
19 HB2 ARG 4 2HB ARG 4 -4.721 0.275 -4.330
20 HB3 ARG 4 1HB ARG 4 -3.699 0.964 -3.072
21 HG2 ARG 4 2HG ARG 4 -1.773 0.840 -4.491
22 HG3 ARG 4 1HG ARG 4 -2.693 -0.024 -5.714
23 HD2 ARG 4 2HD ARG 4 -4.007 1.911 -6.190
24 HD3 ARG 4 1HD ARG 4 -3.305 2.785 -4.820
25 HE ARG 4 HE ARG 4 -1.297 2.939 -5.908
26 HH11 ARG 4 1HH1 ARG 4 -3.799 1.580 -8.057
27 HH12 ARG 4 2HH1 ARG 4 -2.860 1.727 -9.460
28 HH21 ARG 4 1HH2 ARG 4 -0.029 3.123 -7.882
29 HH22 ARG 4 2HH2 ARG 4 -0.687 2.609 -9.369
30 H CYS 5 H CYS 5 -1.442 -2.428 -4.411
31 HA CYS 5 HA CYS 5 0.111 -1.911 -2.052
32 HB2 CYS 5 2HB CYS 5 0.554 -4.008 -4.158
33 HB3 CYS 5 1HB CYS 5 1.502 -3.816 -2.691
34 H LEU 6 H LEU 6 2.260 -1.362 -2.108
35 HA LEU 6 HA LEU 6 3.275 -0.324 -4.626
36 HB2 LEU 6 2HB LEU 6 4.042 1.765 -3.465
37 HB3 LEU 6 1HB LEU 6 2.314 1.639 -3.679
38 HG LEU 6 HG LEU 6 2.234 0.882 -1.225
39 HD11 LEU 6 1HD1 LEU 6 4.991 2.092 -1.185
40 HD12 LEU 6 2HD1 LEU 6 4.585 0.398 -0.898
41 HD13 LEU 6 3HD1 LEU 6 4.030 1.641 0.225
42 HD21 LEU 6 3HD2 LEU 6 2.270 3.198 -0.419
43 HD22 LEU 6 1HD2 LEU 6 1.442 3.043 -1.970
44 HD23 LEU 6 2HD2 LEU 6 3.081 3.687 -1.906
45 H CYS 7 H CYS 7 5.553 -0.192 -4.731
46 HA CYS 7 HA CYS 7 6.910 -1.498 -2.501
47 HB2 CYS 7 2HB CYS 7 7.447 -1.960 -5.443
48 HB3 CYS 7 1HB CYS 7 8.448 -2.578 -4.133
49 H ARG 8 H ARG 8 8.454 -0.513 -1.618
50 HA ARG 8 HA ARG 8 9.685 1.774 -2.985
51 HB2 ARG 8 2HB ARG 8 8.136 2.573 -1.363
52 HB3 ARG 8 1HB ARG 8 8.708 1.423 -0.168
53 HG2 ARG 8 2HG ARG 8 10.900 2.626 -0.192
54 HG3 ARG 8 1HG ARG 8 10.130 3.861 -1.199
55 HD2 ARG 8 2HD ARG 8 10.104 4.407 1.215
56 HD3 ARG 8 1HD ARG 8 8.494 4.295 0.496
57 HE ARG 8 HE ARG 8 9.456 1.854 1.675
58 HH11 ARG 8 1HH1 ARG 8 7.823 4.885 2.361
59 HH12 ARG 8 2HH1 ARG 8 6.860 4.260 3.613
60 HH21 ARG 8 1HH2 ARG 8 8.092 0.941 3.381
61 HH22 ARG 8 2HH2 ARG 8 7.013 1.992 4.189
62 H ARG 9 H ARG 9 11.671 0.960 -3.447
63 HA ARG 9 HA ARG 9 13.747 0.103 -3.246
64 HB2 ARG 9 2HB ARG 9 13.954 2.078 -1.750
65 HB3 ARG 9 1HB ARG 9 13.477 1.084 -0.385
66 HG2 ARG 9 2HG ARG 9 15.507 -0.270 -0.688
67 HG3 ARG 9 1HG ARG 9 15.993 0.777 -2.023
68 HD2 ARG 9 2HD ARG 9 16.193 2.649 -0.554
69 HD3 ARG 9 1HD ARG 9 15.474 1.742 0.781
70 HE ARG 9 HE ARG 9 17.750 0.430 -0.225
71 HH11 ARG 9 1HH1 ARG 9 16.902 3.240 1.735
72 HH12 ARG 9 2HH1 ARG 9 18.286 3.156 2.727
73 HH21 ARG 9 1HH2 ARG 9 19.660 0.325 1.108
74 HH22 ARG 9 2HH2 ARG 9 19.907 1.446 2.352
75 H GLY 10 H GLY 10 11.879 -1.834 -3.112
76 HA2 GLY 10 2HA GLY 10 12.037 -4.146 -2.854
77 HA3 GLY 10 1HA GLY 10 13.335 -3.897 -1.693
78 H ASP 11 H ASP 11 11.099 -1.860 -0.631
79 HA ASP 11 HA ASP 11 9.929 -3.863 1.148
80 HB2 ASP 11 2HB ASP 11 11.134 -2.142 2.329
81 HB3 ASP 11 1HB ASP 11 10.306 -0.887 1.421
82 H CYS 12 H CYS 12 8.142 -4.565 0.292
83 HA CYS 12 HA CYS 12 6.366 -2.664 -0.990
84 HB2 CYS 12 2HB CYS 12 6.108 -5.657 -0.826
85 HB3 CYS 12 1HB CYS 12 5.111 -4.584 -1.779
86 H ARG 13 H ARG 13 4.606 -2.085 -0.257
87 HA ARG 13 HA ARG 13 3.561 -3.176 2.243
88 HB2 ARG 13 2HB ARG 13 4.923 -1.224 2.858
89 HB3 ARG 13 1HB ARG 13 4.082 -0.243 1.668
90 HG2 ARG 13 2HG ARG 13 1.997 -0.500 2.925
91 HG3 ARG 13 1HG ARG 13 2.838 -1.484 4.122
92 HD2 ARG 13 2HD ARG 13 4.281 0.396 4.663
93 HD3 ARG 13 1HD ARG 13 3.483 1.380 3.433
94 HE ARG 13 HE ARG 13 1.400 0.890 4.859
95 HH11 ARG 13 1HH1 ARG 13 4.647 1.354 6.170
96 HH12 ARG 13 2HH1 ARG 13 4.122 2.054 7.629
97 HH21 ARG 13 1HH2 ARG 13 0.668 1.845 6.822
98 HH22 ARG 13 2HH2 ARG 13 1.769 2.359 8.015
99 H CYS 14 H CYS 14 1.322 -3.047 2.325
100 HA CYS 14 HA CYS 14 0.245 -2.013 -0.121
101 HB2 CYS 14 2HB CYS 14 -0.943 -4.161 1.612
102 HB3 CYS 14 1HB CYS 14 -1.668 -3.532 0.149
103 H ILE 15 H ILE 15 -1.359 -0.674 -0.095
104 HA ILE 15 HA ILE 15 -1.998 0.546 2.492
105 HB ILE 15 HB ILE 15 -2.479 1.604 -0.315
106 HG12 ILE 15 2HG1 ILE 15 -0.077 1.486 0.139
107 HG13 ILE 15 1HG1 ILE 15 -0.612 3.159 0.092
108 HG21 ILE 15 1HG2 ILE 15 -2.739 2.994 2.352
109 HG22 ILE 15 2HG2 ILE 15 -4.057 2.534 1.274
110 HG23 ILE 15 3HG2 ILE 15 -2.903 3.770 0.776
111 HD11 ILE 15 3HD1 ILE 15 0.997 2.812 1.869
112 HD12 ILE 15 1HD1 ILE 15 -0.014 1.548 2.572
113 HD13 ILE 15 2HD1 ILE 15 -0.579 3.218 2.548
114 H CYS 16 H CYS 16 -3.667 -0.613 3.279
115 HA CYS 16 HA CYS 16 -5.950 -1.011 1.504
116 HB2 CYS 16 2HB CYS 16 -5.424 -2.262 4.158
117 HB3 CYS 16 1HB CYS 16 -6.733 -2.658 3.079
118 H THR 17 H THR 17 -7.540 0.127 1.786
119 HA THR 17 HA THR 17 -8.450 1.183 4.280
120 HB THR 17 HB THR 17 -7.608 3.136 2.110
121 HG1 THR 17 1HG THR 17 -6.104 2.046 3.890
122 HG21 THR 17 3HG2 THR 17 -8.745 3.621 4.867
123 HG22 THR 17 1HG2 THR 17 -9.577 3.894 3.341
124 HG23 THR 17 2HG2 THR 17 -8.187 4.889 3.771
125 H ARG 18 H ARG 18 -10.589 1.662 4.111
126 HA ARG 18 HA ARG 18 -12.710 1.694 3.384
127 HB2 ARG 18 2HB ARG 18 -11.662 3.525 1.938
128 HB3 ARG 18 1HB ARG 18 -11.650 2.346 0.635
129 HG2 ARG 18 2HG ARG 18 -14.096 2.094 0.987
130 HG3 ARG 18 1HG ARG 18 -14.019 3.475 2.078
131 HD2 ARG 18 2HD ARG 18 -13.344 3.437 -0.860
132 HD3 ARG 18 1HD ARG 18 -14.657 4.311 -0.068
133 HE ARG 18 HE ARG 18 -11.935 4.944 0.737
134 HH11 ARG 18 1HH1 ARG 18 -14.803 5.944 -1.074
135 HH12 ARG 18 2HH1 ARG 18 -14.249 7.533 -1.300
136 HH21 ARG 18 1HH2 ARG 18 -11.197 7.064 0.430
137 HH22 ARG 18 2HH2 ARG 18 -12.134 8.206 -0.419
Start of MODEL 13
1 H1 GLY 1 H GLY 1 -11.134 -0.670 3.048
2 HA2 GLY 1 2HA GLY 1 -11.307 -2.951 2.696
3 HA3 GLY 1 1HA GLY 1 -12.749 -2.663 1.738
4 H PHE 2 H PHE 2 -10.628 -0.635 0.378
5 HA PHE 2 HA PHE 2 -9.853 -2.669 -1.566
6 HB2 PHE 2 2HB PHE 2 -11.243 -0.751 -2.342
7 HB3 PHE 2 1HB PHE 2 -9.906 0.324 -1.917
8 HD1 PHE 2 1HD PHE 2 -10.849 -2.532 -4.068
9 HD2 PHE 2 2HD PHE 2 -8.181 0.723 -3.464
10 HE1 PHE 2 1HE PHE 2 -9.907 -2.898 -6.306
11 HE2 PHE 2 2HE PHE 2 -7.230 0.361 -5.696
12 HZ PHE 2 HZ PHE 2 -8.093 -1.457 -7.124
13 H CYS 3 H CYS 3 -7.859 -3.162 -1.796
14 HA CYS 3 HA CYS 3 -5.864 -1.681 -0.248
15 HB2 CYS 3 2HB CYS 3 -5.838 -4.548 -1.123
16 HB3 CYS 3 1HB CYS 3 -4.562 -3.754 -0.222
17 H ARG 4 H ARG 4 -4.150 -0.906 -1.064
18 HA ARG 4 HA ARG 4 -3.474 -1.466 -3.850
19 HB2 ARG 4 2HB ARG 4 -3.509 1.213 -2.443
20 HB3 ARG 4 1HB ARG 4 -2.791 0.931 -4.023
21 HG2 ARG 4 2HG ARG 4 -4.955 0.373 -4.941
22 HG3 ARG 4 1HG ARG 4 -5.707 0.532 -3.352
23 HD2 ARG 4 2HD ARG 4 -6.070 2.518 -4.739
24 HD3 ARG 4 1HD ARG 4 -5.114 2.894 -3.308
25 HE ARG 4 HE ARG 4 -3.981 2.464 -5.975
26 HH11 ARG 4 1HH1 ARG 4 -4.083 4.275 -2.934
27 HH12 ARG 4 2HH1 ARG 4 -2.786 5.298 -3.314
28 HH21 ARG 4 1HH2 ARG 4 -2.182 3.874 -6.533
29 HH22 ARG 4 2HH2 ARG 4 -1.673 5.071 -5.456
30 H CYS 5 H CYS 5 -1.483 -2.236 -3.916
31 HA CYS 5 HA CYS 5 0.074 -1.910 -1.528
32 HB2 CYS 5 2HB CYS 5 0.471 -3.868 -3.788
33 HB3 CYS 5 1HB CYS 5 1.398 -3.831 -2.295
34 H LEU 6 H LEU 6 2.297 -1.451 -1.584
35 HA LEU 6 HA LEU 6 3.228 -0.130 -4.025
36 HB2 LEU 6 2HB LEU 6 2.321 1.614 -2.589
37 HB3 LEU 6 1HB LEU 6 3.275 1.034 -1.237
38 HG LEU 6 HG LEU 6 5.333 1.675 -2.483
39 HD11 LEU 6 1HD1 LEU 6 3.398 2.915 -4.420
40 HD12 LEU 6 2HD1 LEU 6 4.493 1.568 -4.748
41 HD13 LEU 6 3HD1 LEU 6 5.140 3.169 -4.398
42 HD21 LEU 6 3HD2 LEU 6 4.371 3.158 -0.808
43 HD22 LEU 6 1HD2 LEU 6 3.332 3.878 -2.033
44 HD23 LEU 6 2HD2 LEU 6 5.077 4.085 -2.135
45 H CYS 7 H CYS 7 5.377 -0.414 -4.409
46 HA CYS 7 HA CYS 7 6.958 -1.666 -2.300
47 HB2 CYS 7 2HB CYS 7 7.228 -2.068 -5.294
48 HB3 CYS 7 1HB CYS 7 8.267 -2.782 -4.074
49 H ARG 8 H ARG 8 8.513 -0.371 -1.638
50 HA ARG 8 HA ARG 8 9.740 1.418 -3.576
51 HB2 ARG 8 2HB ARG 8 8.123 2.788 -2.326
52 HB3 ARG 8 1HB ARG 8 8.835 2.260 -0.809
53 HG2 ARG 8 2HG ARG 8 10.927 3.379 -1.381
54 HG3 ARG 8 1HG ARG 8 10.253 3.854 -2.939
55 HD2 ARG 8 2HD ARG 8 9.167 4.691 -0.251
56 HD3 ARG 8 1HD ARG 8 10.214 5.678 -1.273
57 HE ARG 8 HE ARG 8 7.915 4.832 -2.699
58 HH11 ARG 8 1HH1 ARG 8 8.918 7.202 -0.237
59 HH12 ARG 8 2HH1 ARG 8 7.694 8.306 -0.622
60 HH21 ARG 8 1HH2 ARG 8 6.238 6.388 -3.213
61 HH22 ARG 8 2HH2 ARG 8 6.143 7.840 -2.336
62 H ARG 9 H ARG 9 11.830 1.381 -3.512
63 HA ARG 9 HA ARG 9 13.958 0.956 -2.993
64 HB2 ARG 9 2HB ARG 9 13.275 2.482 -1.048
65 HB3 ARG 9 1HB ARG 9 13.139 1.025 -0.088
66 HG2 ARG 9 2HG ARG 9 15.495 0.568 -0.393
67 HG3 ARG 9 1HG ARG 9 15.652 1.981 -1.440
68 HD2 ARG 9 2HD ARG 9 14.920 3.409 0.429
69 HD3 ARG 9 1HD ARG 9 14.866 1.976 1.462
70 HE ARG 9 HE ARG 9 17.377 2.072 0.340
71 HH11 ARG 9 1HH1 ARG 9 15.463 4.097 2.554
72 HH12 ARG 9 2HH1 ARG 9 16.819 4.718 3.350
73 HH21 ARG 9 1HH2 ARG 9 19.225 2.948 1.443
74 HH22 ARG 9 2HH2 ARG 9 19.010 4.067 2.708
75 H GLY 10 H GLY 10 12.041 -1.194 -3.292
76 HA2 GLY 10 2HA GLY 10 12.359 -3.481 -3.545
77 HA3 GLY 10 1HA GLY 10 13.752 -3.385 -2.479
78 H ASP 11 H ASP 11 10.971 -1.861 -1.260
79 HA ASP 11 HA ASP 11 10.377 -4.241 0.332
80 HB2 ASP 11 2HB ASP 11 11.506 -2.569 1.699
81 HB3 ASP 11 1HB ASP 11 10.341 -1.351 1.192
82 H CYS 12 H CYS 12 8.405 -4.943 0.074
83 HA CYS 12 HA CYS 12 6.410 -3.154 -1.085
84 HB2 CYS 12 2HB CYS 12 6.452 -6.140 -0.954
85 HB3 CYS 12 1HB CYS 12 5.208 -5.167 -1.714
86 H ARG 13 H ARG 13 4.631 -2.773 -0.207
87 HA ARG 13 HA ARG 13 3.742 -4.100 2.204
88 HB2 ARG 13 2HB ARG 13 3.629 -1.899 3.428
89 HB3 ARG 13 1HB ARG 13 5.252 -2.525 3.175
90 HG2 ARG 13 2HG ARG 13 5.270 -1.008 1.085
91 HG3 ARG 13 1HG ARG 13 3.904 -0.201 1.855
92 HD2 ARG 13 2HD ARG 13 5.240 0.203 3.839
93 HD3 ARG 13 1HD ARG 13 6.587 -0.670 3.109
94 HE ARG 13 HE ARG 13 5.505 1.838 2.047
95 HH11 ARG 13 1HH1 ARG 13 8.320 -0.318 2.648
96 HH12 ARG 13 2HH1 ARG 13 9.437 0.890 2.278
97 HH21 ARG 13 1HH2 ARG 13 7.132 3.438 1.518
98 HH22 ARG 13 2HH2 ARG 13 8.785 3.035 1.620
99 H CYS 14 H CYS 14 1.513 -3.633 2.644
100 HA CYS 14 HA CYS 14 0.324 -2.342 0.352
101 HB2 CYS 14 2HB CYS 14 -0.842 -4.595 1.961
102 HB3 CYS 14 1HB CYS 14 -1.650 -3.791 0.630
103 H ILE 15 H ILE 15 -1.398 -1.009 0.572
104 HA ILE 15 HA ILE 15 -2.069 -0.184 3.317
105 HB ILE 15 HB ILE 15 -1.819 1.604 0.856
106 HG12 ILE 15 2HG1 ILE 15 -0.113 2.869 2.291
107 HG13 ILE 15 1HG1 ILE 15 -0.105 1.487 3.359
108 HG21 ILE 15 1HG2 ILE 15 -2.324 3.488 2.360
109 HG22 ILE 15 2HG2 ILE 15 -2.663 2.334 3.653
110 HG23 ILE 15 3HG2 ILE 15 -3.661 2.349 2.203
111 HD11 ILE 15 3HD1 ILE 15 1.806 1.424 1.886
112 HD12 ILE 15 1HD1 ILE 15 0.760 1.525 0.469
113 HD13 ILE 15 2HD1 ILE 15 0.718 0.090 1.493
114 H CYS 16 H CYS 16 -4.293 -0.021 3.696
115 HA CYS 16 HA CYS 16 -5.980 -0.466 1.342
116 HB2 CYS 16 2HB CYS 16 -6.413 -1.652 4.077
117 HB3 CYS 16 1HB CYS 16 -7.401 -1.922 2.647
118 H THR 17 H THR 17 -7.899 0.541 1.245
119 HA THR 17 HA THR 17 -8.823 2.111 3.489
120 HB THR 17 HB THR 17 -8.437 3.377 0.793
121 HG1 THR 17 1HG THR 17 -6.715 3.030 2.901
122 HG21 THR 17 3HG2 THR 17 -9.101 4.557 3.499
123 HG22 THR 17 1HG2 THR 17 -10.213 4.365 2.144
124 HG23 THR 17 2HG2 THR 17 -8.862 5.487 2.021
125 H ARG 18 H ARG 18 -10.873 1.996 3.553
126 HA ARG 18 HA ARG 18 -13.016 1.364 3.255
127 HB2 ARG 18 2HB ARG 18 -12.754 3.344 1.583
128 HB3 ARG 18 1HB ARG 18 -12.782 2.100 0.342
129 HG2 ARG 18 2HG ARG 18 -14.939 1.308 1.312
130 HG3 ARG 18 1HG ARG 18 -14.940 2.747 2.325
131 HD2 ARG 18 2HD ARG 18 -16.281 3.254 0.444
132 HD3 ARG 18 1HD ARG 18 -14.745 4.095 0.209
133 HE ARG 18 HE ARG 18 -14.899 1.488 -0.984
134 HH11 ARG 18 1HH1 ARG 18 -15.407 4.964 -1.546
135 HH12 ARG 18 2HH1 ARG 18 -15.330 4.801 -3.243
136 HH21 ARG 18 1HH2 ARG 18 -14.904 1.314 -3.292
137 HH22 ARG 18 2HH2 ARG 18 -15.057 2.723 -4.248
Start of MODEL 14
1 H1 GLY 1 H GLY 1 -10.934 0.000 3.108
2 HA2 GLY 1 2HA GLY 1 -11.390 -2.252 3.208
3 HA3 GLY 1 1HA GLY 1 -12.823 -1.980 2.232
4 H PHE 2 H PHE 2 -10.254 -0.535 0.699
5 HA PHE 2 HA PHE 2 -9.860 -2.912 -0.977
6 HB2 PHE 2 2HB PHE 2 -11.119 -1.077 -2.085
7 HB3 PHE 2 1HB PHE 2 -9.776 0.011 -1.759
8 HD1 PHE 2 2HD PHE 2 -10.789 -2.998 -3.634
9 HD2 PHE 2 1HD PHE 2 -7.914 0.109 -3.202
10 HE1 PHE 2 2HE PHE 2 -9.777 -3.643 -5.775
11 HE2 PHE 2 1HE PHE 2 -6.898 -0.534 -5.340
12 HZ PHE 2 HZ PHE 2 -7.827 -2.412 -6.629
13 H CYS 3 H CYS 3 -7.750 -3.408 -1.556
14 HA CYS 3 HA CYS 3 -5.698 -1.778 -0.264
15 HB2 CYS 3 2HB CYS 3 -5.746 -4.773 -0.573
16 HB3 CYS 3 1HB CYS 3 -4.461 -3.827 0.163
17 H ARG 4 H ARG 4 -3.963 -1.304 -1.384
18 HA ARG 4 HA ARG 4 -3.511 -2.577 -3.974
19 HB2 ARG 4 2HB ARG 4 -4.505 -0.304 -4.333
20 HB3 ARG 4 1HB ARG 4 -3.237 0.382 -3.332
21 HG2 ARG 4 2HG ARG 4 -2.737 0.771 -5.659
22 HG3 ARG 4 1HG ARG 4 -1.556 -0.348 -4.977
23 HD2 ARG 4 2HD ARG 4 -2.206 -1.128 -7.162
24 HD3 ARG 4 1HD ARG 4 -2.861 -2.225 -5.952
25 HE ARG 4 HE ARG 4 -4.621 -0.108 -6.816
26 HH11 ARG 4 1HH1 ARG 4 -3.700 -3.498 -7.213
27 HH12 ARG 4 2HH1 ARG 4 -5.096 -3.937 -8.071
28 HH21 ARG 4 1HH2 ARG 4 -6.538 -0.686 -8.013
29 HH22 ARG 4 2HH2 ARG 4 -6.760 -2.281 -8.557
30 H CYS 5 H CYS 5 -1.230 -2.917 -4.326
31 HA CYS 5 HA CYS 5 0.187 -2.421 -1.888
32 HB2 CYS 5 2HB CYS 5 0.900 -4.395 -4.047
33 HB3 CYS 5 1HB CYS 5 1.690 -4.224 -2.489
34 H LEU 6 H LEU 6 2.232 -1.663 -1.830
35 HA LEU 6 HA LEU 6 3.146 -0.188 -4.177
36 HB2 LEU 6 2HB LEU 6 1.806 1.355 -2.814
37 HB3 LEU 6 1HB LEU 6 2.727 0.920 -1.391
38 HG LEU 6 HG LEU 6 4.748 1.917 -2.460
39 HD11 LEU 6 1HD1 LEU 6 4.110 1.738 -4.782
40 HD12 LEU 6 2HD1 LEU 6 4.450 3.418 -4.363
41 HD13 LEU 6 3HD1 LEU 6 2.781 2.870 -4.524
42 HD21 LEU 6 3HD2 LEU 6 2.382 3.759 -2.127
43 HD22 LEU 6 1HD2 LEU 6 4.076 4.245 -2.096
44 HD23 LEU 6 2HD2 LEU 6 3.445 3.185 -0.842
45 H CYS 7 H CYS 7 5.356 -0.158 -4.271
46 HA CYS 7 HA CYS 7 6.705 -1.448 -2.032
47 HB2 CYS 7 2HB CYS 7 7.583 -1.401 -4.922
48 HB3 CYS 7 1HB CYS 7 8.338 -2.299 -3.605
49 H ARG 8 H ARG 8 8.053 -0.372 -0.957
50 HA ARG 8 HA ARG 8 8.944 2.192 -2.029
51 HB2 ARG 8 2HB ARG 8 7.597 2.480 -0.033
52 HB3 ARG 8 1HB ARG 8 8.577 1.301 0.837
53 HG2 ARG 8 2HG ARG 8 10.527 2.786 0.576
54 HG3 ARG 8 1HG ARG 8 9.483 3.966 -0.200
55 HD2 ARG 8 2HD ARG 8 8.233 4.284 1.804
56 HD3 ARG 8 1HD ARG 8 9.048 2.929 2.596
57 HE ARG 8 HE ARG 8 11.000 4.656 1.751
58 HH11 ARG 8 1HH1 ARG 8 8.318 4.903 4.017
59 HH12 ARG 8 2HH1 ARG 8 9.135 5.918 5.123
60 HH21 ARG 8 1HH2 ARG 8 12.113 6.049 3.167
61 HH22 ARG 8 2HH2 ARG 8 11.393 6.617 4.607
62 H ARG 9 H ARG 9 10.806 1.746 -2.971
63 HA ARG 9 HA ARG 9 12.979 1.351 -3.260
64 HB2 ARG 9 2HB ARG 9 12.924 2.980 -1.303
65 HB3 ARG 9 1HB ARG 9 13.252 1.608 -0.263
66 HG2 ARG 9 2HG ARG 9 15.264 2.971 -0.835
67 HG3 ARG 9 1HG ARG 9 15.404 1.270 -1.288
68 HD2 ARG 9 2HD ARG 9 16.177 3.009 -3.002
69 HD3 ARG 9 1HD ARG 9 15.103 1.733 -3.571
70 HE ARG 9 HE ARG 9 13.821 4.166 -2.694
71 HH11 ARG 9 1HH1 ARG 9 15.281 2.589 -5.507
72 HH12 ARG 9 2HH1 ARG 9 14.175 3.231 -6.632
73 HH21 ARG 9 1HH2 ARG 9 12.256 4.981 -4.217
74 HH22 ARG 9 2HH2 ARG 9 12.368 4.609 -5.874
75 H GLY 10 H GLY 10 11.453 -0.973 -3.139
76 HA2 GLY 10 2HA GLY 10 12.392 -3.145 -3.487
77 HA3 GLY 10 1HA GLY 10 13.530 -2.811 -2.191
78 H ASP 11 H ASP 11 11.019 -1.669 -0.712
79 HA ASP 11 HA ASP 11 10.234 -4.296 0.322
80 HB2 ASP 11 2HB ASP 11 11.100 -2.851 2.055
81 HB3 ASP 11 1HB ASP 11 9.985 -1.566 1.592
82 H CYS 12 H CYS 12 8.467 -5.095 -0.499
83 HA CYS 12 HA CYS 12 6.393 -3.274 -1.329
84 HB2 CYS 12 2HB CYS 12 6.570 -6.239 -1.594
85 HB3 CYS 12 1HB CYS 12 5.288 -5.243 -2.248
86 H ARG 13 H ARG 13 4.651 -2.982 -0.464
87 HA ARG 13 HA ARG 13 3.800 -4.438 1.909
88 HB2 ARG 13 2HB ARG 13 3.563 -2.275 3.139
89 HB3 ARG 13 1HB ARG 13 5.243 -2.659 2.779
90 HG2 ARG 13 2HG ARG 13 5.149 -1.107 0.868
91 HG3 ARG 13 1HG ARG 13 3.493 -0.690 1.314
92 HD2 ARG 13 2HD ARG 13 5.042 0.977 2.154
93 HD3 ARG 13 1HD ARG 13 4.305 0.098 3.491
94 HE ARG 13 HE ARG 13 6.723 -1.169 2.853
95 HH11 ARG 13 1HH1 ARG 13 5.627 1.891 4.217
96 HH12 ARG 13 2HH1 ARG 13 7.026 2.140 5.158
97 HH21 ARG 13 1HH2 ARG 13 8.555 -0.879 4.046
98 HH22 ARG 13 2HH2 ARG 13 8.810 0.482 5.062
99 H CYS 14 H CYS 14 1.488 -3.740 2.426
100 HA CYS 14 HA CYS 14 0.364 -2.611 0.031
101 HB2 CYS 14 2HB CYS 14 -0.928 -4.800 1.625
102 HB3 CYS 14 1HB CYS 14 -1.552 -4.071 0.165
103 H ILE 15 H ILE 15 -1.148 -1.203 0.147
104 HA ILE 15 HA ILE 15 -1.681 -0.095 2.821
105 HB ILE 15 HB ILE 15 -1.516 1.328 0.131
106 HG12 ILE 15 2HG1 ILE 15 0.325 1.466 2.530
107 HG13 ILE 15 1HG1 ILE 15 0.678 0.632 1.024
108 HG21 ILE 15 1HG2 ILE 15 -1.953 2.519 2.872
109 HG22 ILE 15 2HG2 ILE 15 -3.181 2.365 1.621
110 HG23 ILE 15 3HG2 ILE 15 -1.791 3.417 1.361
111 HD11 ILE 15 3HD1 ILE 15 0.641 2.774 -0.159
112 HD12 ILE 15 1HD1 ILE 15 1.821 2.775 1.150
113 HD13 ILE 15 2HD1 ILE 15 0.275 3.599 1.354
114 H CYS 16 H CYS 16 -3.790 0.168 3.378
115 HA CYS 16 HA CYS 16 -5.770 -0.524 1.337
116 HB2 CYS 16 2HB CYS 16 -5.847 -1.224 4.260
117 HB3 CYS 16 1HB CYS 16 -7.054 -1.655 3.061
118 H THR 17 H THR 17 -7.586 0.623 1.309
119 HA THR 17 HA THR 17 -8.379 2.363 3.438
120 HB THR 17 HB THR 17 -7.879 3.583 0.717
121 HG1 THR 17 1HG THR 17 -6.190 3.249 2.849
122 HG21 THR 17 3HG2 THR 17 -9.691 4.596 2.014
123 HG22 THR 17 1HG2 THR 17 -8.337 5.717 1.855
124 HG23 THR 17 2HG2 THR 17 -8.590 4.847 3.367
125 H ARG 18 H ARG 18 -10.532 2.548 3.392
126 HA ARG 18 HA ARG 18 -12.700 2.338 2.846
127 HB2 ARG 18 2HB ARG 18 -11.827 3.855 0.993
128 HB3 ARG 18 1HB ARG 18 -11.777 2.423 -0.014
129 HG2 ARG 18 2HG ARG 18 -14.156 2.142 0.349
130 HG3 ARG 18 1HG ARG 18 -14.205 3.675 1.219
131 HD2 ARG 18 2HD ARG 18 -13.423 3.261 -1.671
132 HD3 ARG 18 1HD ARG 18 -14.799 4.180 -1.053
133 HE ARG 18 HE ARG 18 -12.654 5.376 0.091
134 HH11 ARG 18 1HH1 ARG 18 -13.601 4.788 -3.270
135 HH12 ARG 18 2HH1 ARG 18 -12.652 6.037 -3.919
136 HH21 ARG 18 1HH2 ARG 18 -11.337 7.058 -0.766
137 HH22 ARG 18 2HH2 ARG 18 -11.303 7.376 -2.443
Start of MODEL 15
1 H1 GLY 1 H GLY 1 -10.968 0.518 2.547
2 HA2 GLY 1 2HA GLY 1 -12.164 -1.430 2.156
3 HA3 GLY 1 1HA GLY 1 -13.111 -0.581 0.947
4 H PHE 2 H PHE 2 -10.072 0.180 0.131
5 HA PHE 2 HA PHE 2 -9.925 -2.100 -1.707
6 HB2 PHE 2 2HB PHE 2 -10.580 -0.052 -2.839
7 HB3 PHE 2 1HB PHE 2 -9.176 0.777 -2.177
8 HD1 PHE 2 2HD PHE 2 -10.211 -1.968 -4.451
9 HD2 PHE 2 1HD PHE 2 -7.145 0.773 -3.342
10 HE1 PHE 2 2HE PHE 2 -8.930 -2.589 -6.457
11 HE2 PHE 2 1HE PHE 2 -5.862 0.156 -5.343
12 HZ PHE 2 HZ PHE 2 -6.753 -1.526 -6.906
13 H CYS 3 H CYS 3 -8.101 -3.181 -1.812
14 HA CYS 3 HA CYS 3 -5.877 -2.260 -0.170
15 HB2 CYS 3 2HB CYS 3 -6.481 -5.006 -1.229
16 HB3 CYS 3 1HB CYS 3 -5.066 -4.585 -0.280
17 H ARG 4 H ARG 4 -3.951 -1.893 -0.886
18 HA ARG 4 HA ARG 4 -3.381 -2.392 -3.705
19 HB2 ARG 4 2HB ARG 4 -2.540 -0.136 -4.010
20 HB3 ARG 4 1HB ARG 4 -4.199 -0.038 -3.443
21 HG2 ARG 4 2HG ARG 4 -3.334 0.397 -1.150
22 HG3 ARG 4 1HG ARG 4 -1.704 0.417 -1.815
23 HD2 ARG 4 2HD ARG 4 -2.426 2.677 -1.626
24 HD3 ARG 4 1HD ARG 4 -2.452 2.255 -3.338
25 HE ARG 4 HE ARG 4 -4.959 1.757 -2.197
26 HH11 ARG 4 1HH1 ARG 4 -2.933 4.419 -3.334
27 HH12 ARG 4 2HH1 ARG 4 -4.225 5.516 -3.523
28 HH21 ARG 4 1HH2 ARG 4 -6.773 3.316 -2.449
29 HH22 ARG 4 2HH2 ARG 4 -6.412 4.852 -3.045
30 H CYS 5 H CYS 5 -1.249 -3.021 -3.976
31 HA CYS 5 HA CYS 5 0.251 -2.963 -1.526
32 HB2 CYS 5 2HB CYS 5 0.844 -4.579 -3.965
33 HB3 CYS 5 1HB CYS 5 1.673 -4.684 -2.435
34 H LEU 6 H LEU 6 2.083 -2.037 -1.346
35 HA LEU 6 HA LEU 6 2.932 -0.357 -3.605
36 HB2 LEU 6 2HB LEU 6 2.704 0.475 -0.714
37 HB3 LEU 6 1HB LEU 6 3.429 1.439 -1.978
38 HG LEU 6 HG LEU 6 0.522 0.641 -1.820
39 HD11 LEU 6 1HD1 LEU 6 1.146 2.301 -0.155
40 HD12 LEU 6 2HD1 LEU 6 0.133 3.013 -1.410
41 HD13 LEU 6 3HD1 LEU 6 1.872 3.300 -1.412
42 HD21 LEU 6 3HD2 LEU 6 1.256 0.824 -4.135
43 HD22 LEU 6 1HD2 LEU 6 1.968 2.405 -3.796
44 HD23 LEU 6 2HD2 LEU 6 0.223 2.182 -3.698
45 H CYS 7 H CYS 7 5.034 -0.149 -3.877
46 HA CYS 7 HA CYS 7 6.742 -1.415 -1.907
47 HB2 CYS 7 2HB CYS 7 7.089 -1.423 -4.914
48 HB3 CYS 7 1HB CYS 7 8.216 -2.084 -3.739
49 H ARG 8 H ARG 8 7.935 0.055 -0.989
50 HA ARG 8 HA ARG 8 8.555 2.434 -2.547
51 HB2 ARG 8 2HB ARG 8 7.360 2.869 -0.418
52 HB3 ARG 8 1HB ARG 8 8.663 2.087 0.465
53 HG2 ARG 8 2HG ARG 8 10.191 3.803 -0.071
54 HG3 ARG 8 1HG ARG 8 9.110 4.489 -1.282
55 HD2 ARG 8 2HD ARG 8 9.127 5.845 0.749
56 HD3 ARG 8 1HD ARG 8 7.540 5.140 0.470
57 HE ARG 8 HE ARG 8 8.900 3.420 2.164
58 HH11 ARG 8 1HH1 ARG 8 7.753 6.790 2.285
59 HH12 ARG 8 2HH1 ARG 8 7.516 6.772 3.963
60 HH21 ARG 8 1HH2 ARG 8 8.556 3.442 4.458
61 HH22 ARG 8 2HH2 ARG 8 7.979 4.848 5.235
62 H ARG 9 H ARG 9 10.222 2.057 -3.620
63 HA ARG 9 HA ARG 9 12.237 1.471 -4.338
64 HB2 ARG 9 2HB ARG 9 12.662 3.498 -2.876
65 HB3 ARG 9 1HB ARG 9 13.214 2.392 -1.630
66 HG2 ARG 9 2HG ARG 9 14.995 1.603 -3.085
67 HG3 ARG 9 1HG ARG 9 14.425 2.660 -4.377
68 HD2 ARG 9 2HD ARG 9 16.299 3.701 -3.278
69 HD3 ARG 9 1HD ARG 9 14.833 4.600 -2.904
70 HE ARG 9 HE ARG 9 15.748 2.573 -1.032
71 HH11 ARG 9 1HH1 ARG 9 15.198 6.000 -1.726
72 HH12 ARG 9 2HH1 ARG 9 15.528 6.518 -0.148
73 HH21 ARG 9 1HH2 ARG 9 16.217 3.293 1.148
74 HH22 ARG 9 2HH2 ARG 9 16.121 4.953 1.520
75 H GLY 10 H GLY 10 11.044 -0.720 -3.752
76 HA2 GLY 10 2HA GLY 10 11.983 -2.921 -3.809
77 HA3 GLY 10 1HA GLY 10 13.197 -2.380 -2.669
78 H ASP 11 H ASP 11 11.180 -1.105 -0.871
79 HA ASP 11 HA ASP 11 10.579 -3.598 0.497
80 HB2 ASP 11 2HB ASP 11 11.630 -1.735 1.753
81 HB3 ASP 11 1HB ASP 11 10.198 -0.751 1.462
82 H CYS 12 H CYS 12 8.754 -4.584 0.087
83 HA CYS 12 HA CYS 12 6.441 -3.025 -0.811
84 HB2 CYS 12 2HB CYS 12 6.930 -5.981 -1.028
85 HB3 CYS 12 1HB CYS 12 5.573 -5.093 -1.687
86 H ARG 13 H ARG 13 4.590 -3.073 0.047
87 HA ARG 13 HA ARG 13 3.829 -5.012 2.039
88 HB2 ARG 13 2HB ARG 13 3.282 -3.433 3.818
89 HB3 ARG 13 1HB ARG 13 4.991 -3.346 3.451
90 HG2 ARG 13 2HG ARG 13 4.581 -1.282 2.166
91 HG3 ARG 13 1HG ARG 13 2.872 -1.380 2.605
92 HD2 ARG 13 2HD ARG 13 5.201 -1.095 4.507
93 HD3 ARG 13 1HD ARG 13 4.023 0.151 4.097
94 HE ARG 13 HE ARG 13 2.475 -1.844 5.046
95 HH11 ARG 13 1HH1 ARG 13 5.216 -0.071 6.417
96 HH12 ARG 13 2HH1 ARG 13 4.821 -0.403 8.021
97 HH21 ARG 13 1HH2 ARG 13 1.926 -2.292 7.238
98 HH22 ARG 13 2HH2 ARG 13 2.892 -1.706 8.524
99 H CYS 14 H CYS 14 1.534 -5.016 2.388
100 HA CYS 14 HA CYS 14 0.251 -3.462 0.325
101 HB2 CYS 14 2HB CYS 14 -0.821 -5.925 1.632
102 HB3 CYS 14 1HB CYS 14 -1.565 -5.068 0.306
103 H ILE 15 H ILE 15 -1.126 -2.112 0.685
104 HA ILE 15 HA ILE 15 -1.926 -1.604 3.479
105 HB ILE 15 HB ILE 15 -1.258 0.435 1.324
106 HG12 ILE 15 2HG1 ILE 15 0.125 -0.190 3.946
107 HG13 ILE 15 1HG1 ILE 15 0.712 -0.639 2.349
108 HG21 ILE 15 1HG2 ILE 15 -1.642 2.157 3.038
109 HG22 ILE 15 2HG2 ILE 15 -2.183 0.908 4.162
110 HG23 ILE 15 3HG2 ILE 15 -3.111 1.237 2.699
111 HD11 ILE 15 3HD1 ILE 15 0.966 1.732 1.797
112 HD12 ILE 15 1HD1 ILE 15 1.899 1.292 3.227
113 HD13 ILE 15 2HD1 ILE 15 0.375 2.163 3.399
114 H CYS 16 H CYS 16 -4.065 -1.310 3.813
115 HA CYS 16 HA CYS 16 -5.743 -1.129 1.427
116 HB2 CYS 16 2HB CYS 16 -6.529 -2.280 4.100
117 HB3 CYS 16 1HB CYS 16 -7.479 -2.293 2.624
118 H THR 17 H THR 17 -7.210 0.357 1.284
119 HA THR 17 HA THR 17 -7.811 2.088 3.502
120 HB THR 17 HB THR 17 -6.550 3.183 1.005
121 HG1 THR 17 1HG THR 17 -5.425 2.157 3.191
122 HG21 THR 17 3HG2 THR 17 -7.343 4.552 3.581
123 HG22 THR 17 1HG2 THR 17 -8.143 4.724 2.019
124 HG23 THR 17 2HG2 THR 17 -6.503 5.334 2.244
125 H ARG 18 H ARG 18 -9.758 2.928 3.273
126 HA ARG 18 HA ARG 18 -11.866 3.220 2.635
127 HB2 ARG 18 2HB ARG 18 -10.565 4.881 1.225
128 HB3 ARG 18 1HB ARG 18 -10.712 3.746 -0.102
129 HG2 ARG 18 2HG ARG 18 -13.110 3.886 0.052
130 HG3 ARG 18 1HG ARG 18 -12.977 5.057 1.361
131 HD2 ARG 18 2HD ARG 18 -11.661 6.533 -0.137
132 HD3 ARG 18 1HD ARG 18 -11.993 5.423 -1.463
133 HE ARG 18 HE ARG 18 -14.399 5.888 -0.974
134 HH11 ARG 18 1HH1 ARG 18 -11.847 8.307 -0.378
135 HH12 ARG 18 2HH1 ARG 18 -12.898 9.635 -0.524
136 HH21 ARG 18 1HH2 ARG 18 -15.827 7.772 -1.157
137 HH22 ARG 18 2HH2 ARG 18 -15.155 9.333 -0.962
Start of MODEL 16
1 H1 GLY 1 H GLY 1 -11.073 -0.764 2.790
2 HA2 GLY 1 2HA GLY 1 -11.169 -3.082 2.922
3 HA3 GLY 1 1HA GLY 1 -12.561 -3.065 1.852
4 H PHE 2 H PHE 2 -10.374 -1.180 0.327
5 HA PHE 2 HA PHE 2 -9.362 -3.445 -1.248
6 HB2 PHE 2 2HB PHE 2 -10.869 -1.840 -2.449
7 HB3 PHE 2 1HB PHE 2 -9.739 -0.547 -2.080
8 HD1 PHE 2 2HD PHE 2 -10.204 -3.665 -3.992
9 HD2 PHE 2 1HD PHE 2 -7.793 -0.205 -3.409
10 HE1 PHE 2 2HE PHE 2 -8.996 -4.158 -6.078
11 HE2 PHE 2 1HE PHE 2 -6.581 -0.691 -5.492
12 HZ PHE 2 HZ PHE 2 -7.180 -2.672 -6.829
13 H CYS 3 H CYS 3 -7.103 -3.477 -1.734
14 HA CYS 3 HA CYS 3 -5.577 -1.504 -0.203
15 HB2 CYS 3 2HB CYS 3 -4.876 -4.401 -0.506
16 HB3 CYS 3 1HB CYS 3 -4.055 -3.208 0.486
17 H ARG 4 H ARG 4 -4.118 -0.521 -1.273
18 HA ARG 4 HA ARG 4 -3.175 -1.620 -3.839
19 HB2 ARG 4 2HB ARG 4 -4.232 0.656 -3.986
20 HB3 ARG 4 1HB ARG 4 -3.045 1.252 -2.834
21 HG2 ARG 4 2HG ARG 4 -1.238 0.728 -4.416
22 HG3 ARG 4 1HG ARG 4 -2.430 0.123 -5.560
23 HD2 ARG 4 2HD ARG 4 -1.745 2.364 -6.170
24 HD3 ARG 4 1HD ARG 4 -3.436 2.361 -5.668
25 HE ARG 4 HE ARG 4 -2.083 2.993 -3.407
26 HH11 ARG 4 1HH1 ARG 4 -1.981 4.331 -6.672
27 HH12 ARG 4 2HH1 ARG 4 -1.775 5.941 -6.181
28 HH21 ARG 4 1HH2 ARG 4 -1.821 5.212 -2.700
29 HH22 ARG 4 2HH2 ARG 4 -1.698 6.471 -3.836
30 H CYS 5 H CYS 5 -0.846 -1.741 -4.093
31 HA CYS 5 HA CYS 5 0.358 -1.477 -1.509
32 HB2 CYS 5 2HB CYS 5 1.158 -3.400 -3.666
33 HB3 CYS 5 1HB CYS 5 1.826 -3.309 -2.052
34 H LEU 6 H LEU 6 2.299 -0.673 -1.289
35 HA LEU 6 HA LEU 6 3.363 0.854 -3.563
36 HB2 LEU 6 2HB LEU 6 2.420 2.263 -1.789
37 HB3 LEU 6 1HB LEU 6 3.469 1.497 -0.617
38 HG LEU 6 HG LEU 6 5.435 2.421 -1.818
39 HD11 LEU 6 1HD1 LEU 6 3.362 3.900 -3.432
40 HD12 LEU 6 2HD1 LEU 6 4.494 2.686 -4.029
41 HD13 LEU 6 3HD1 LEU 6 5.096 4.231 -3.431
42 HD21 LEU 6 3HD2 LEU 6 3.393 4.429 -0.879
43 HD22 LEU 6 1HD2 LEU 6 5.122 4.727 -1.048
44 HD23 LEU 6 2HD2 LEU 6 4.538 3.549 0.130
45 H CYS 7 H CYS 7 5.198 0.055 -4.265
46 HA CYS 7 HA CYS 7 6.900 -1.450 -2.462
47 HB2 CYS 7 2HB CYS 7 7.003 -1.160 -5.466
48 HB3 CYS 7 1HB CYS 7 8.105 -2.147 -4.504
49 H ARG 8 H ARG 8 8.600 -0.649 -1.552
50 HA ARG 8 HA ARG 8 9.895 1.674 -2.779
51 HB2 ARG 8 2HB ARG 8 9.435 1.265 0.181
52 HB3 ARG 8 1HB ARG 8 10.208 2.645 -0.572
53 HG2 ARG 8 2HG ARG 8 8.068 3.195 -1.688
54 HG3 ARG 8 1HG ARG 8 7.320 1.850 -0.838
55 HD2 ARG 8 2HD ARG 8 6.833 3.883 0.331
56 HD3 ARG 8 1HD ARG 8 7.949 2.913 1.291
57 HE ARG 8 HE ARG 8 9.635 4.472 -0.014
58 HH11 ARG 8 1HH1 ARG 8 6.700 5.275 1.825
59 HH12 ARG 8 2HH1 ARG 8 7.205 6.861 2.156
60 HH21 ARG 8 1HH2 ARG 8 10.320 6.629 0.496
61 HH22 ARG 8 2HH2 ARG 8 9.310 7.652 1.412
62 H ARG 9 H ARG 9 11.763 0.899 -3.435
63 HA ARG 9 HA ARG 9 13.830 -0.001 -3.484
64 HB2 ARG 9 2HB ARG 9 14.082 1.462 -1.479
65 HB3 ARG 9 1HB ARG 9 13.594 0.121 -0.464
66 HG2 ARG 9 2HG ARG 9 15.640 -1.086 -1.120
67 HG3 ARG 9 1HG ARG 9 16.117 0.299 -2.111
68 HD2 ARG 9 2HD ARG 9 16.212 1.723 -0.218
69 HD3 ARG 9 1HD ARG 9 15.494 0.498 0.824
70 HE ARG 9 HE ARG 9 17.872 -0.509 -0.228
71 HH11 ARG 9 1HH1 ARG 9 16.799 2.065 1.925
72 HH12 ARG 9 2HH1 ARG 9 18.178 2.029 2.921
73 HH21 ARG 9 1HH2 ARG 9 19.808 -0.566 1.150
74 HH22 ARG 9 2HH2 ARG 9 19.906 0.496 2.476
75 H GLY 10 H GLY 10 11.520 -1.689 -3.511
76 HA2 GLY 10 2HA GLY 10 11.573 -3.993 -4.045
77 HA3 GLY 10 1HA GLY 10 12.867 -4.202 -2.877
78 H ASP 11 H ASP 11 11.243 -2.502 -0.926
79 HA ASP 11 HA ASP 11 9.764 -4.791 0.091
80 HB2 ASP 11 2HB ASP 11 11.258 -3.779 1.697
81 HB3 ASP 11 1HB ASP 11 10.563 -2.188 1.405
82 H CYS 12 H CYS 12 7.734 -4.973 -0.342
83 HA CYS 12 HA CYS 12 6.223 -2.552 -0.994
84 HB2 CYS 12 2HB CYS 12 5.389 -5.378 -1.507
85 HB3 CYS 12 1HB CYS 12 4.690 -3.922 -2.180
86 H ARG 13 H ARG 13 4.770 -1.845 0.067
87 HA ARG 13 HA ARG 13 3.697 -3.365 2.370
88 HB2 ARG 13 2HB ARG 13 4.338 -0.414 2.201
89 HB3 ARG 13 1HB ARG 13 3.512 -1.192 3.550
90 HG2 ARG 13 2HG ARG 13 5.465 -2.508 4.040
91 HG3 ARG 13 1HG ARG 13 6.306 -1.849 2.636
92 HD2 ARG 13 2HD ARG 13 7.041 -0.754 4.673
93 HD3 ARG 13 1HD ARG 13 6.169 0.374 3.633
94 HE ARG 13 HE ARG 13 4.211 -0.381 5.155
95 HH11 ARG 13 1HH1 ARG 13 7.500 0.480 6.138
96 HH12 ARG 13 2HH1 ARG 13 7.021 0.962 7.702
97 HH21 ARG 13 1HH2 ARG 13 3.591 0.315 7.216
98 HH22 ARG 13 2HH2 ARG 13 4.750 0.874 8.339
99 H CYS 14 H CYS 14 1.460 -3.245 2.593
100 HA CYS 14 HA CYS 14 0.252 -1.849 0.371
101 HB2 CYS 14 2HB CYS 14 -0.924 -4.146 1.885
102 HB3 CYS 14 1HB CYS 14 -1.596 -3.396 0.448
103 H ILE 15 H ILE 15 -1.269 -0.505 0.527
104 HA ILE 15 HA ILE 15 -2.092 0.365 3.228
105 HB ILE 15 HB ILE 15 -1.948 1.974 0.640
106 HG12 ILE 15 2HG1 ILE 15 -0.442 3.505 2.008
107 HG13 ILE 15 1HG1 ILE 15 -0.422 2.268 3.252
108 HG21 ILE 15 1HG2 ILE 15 -3.949 2.637 1.810
109 HG22 ILE 15 2HG2 ILE 15 -2.751 3.930 1.895
110 HG23 ILE 15 3HG2 ILE 15 -3.036 2.895 3.294
111 HD11 ILE 15 3HD1 ILE 15 1.593 2.217 1.900
112 HD12 ILE 15 1HD1 ILE 15 0.632 1.989 0.441
113 HD13 ILE 15 2HD1 ILE 15 0.665 0.734 1.681
114 H CYS 16 H CYS 16 -4.195 0.103 3.758
115 HA CYS 16 HA CYS 16 -6.010 -0.623 1.573
116 HB2 CYS 16 2HB CYS 16 -6.237 -1.359 4.484
117 HB3 CYS 16 1HB CYS 16 -7.274 -1.897 3.183
118 H THR 17 H THR 17 -7.919 0.285 1.370
119 HA THR 17 HA THR 17 -9.064 2.038 3.357
120 HB THR 17 HB THR 17 -8.558 3.085 0.570
121 HG1 THR 17 1HG THR 17 -6.893 2.957 2.709
122 HG21 THR 17 3HG2 THR 17 -9.413 4.460 3.128
123 HG22 THR 17 1HG2 THR 17 -10.449 4.085 1.750
124 HG23 THR 17 2HG2 THR 17 -9.148 5.272 1.586
125 H ARG 18 H ARG 18 -11.279 1.979 3.118
126 HA ARG 18 HA ARG 18 -13.286 1.184 2.582
127 HB2 ARG 18 2HB ARG 18 -12.844 2.882 0.751
128 HB3 ARG 18 1HB ARG 18 -12.383 1.542 -0.284
129 HG2 ARG 18 2HG ARG 18 -14.614 0.588 0.062
130 HG3 ARG 18 1HG ARG 18 -15.085 2.041 0.934
131 HD2 ARG 18 2HD ARG 18 -15.805 2.228 -1.375
132 HD3 ARG 18 1HD ARG 18 -14.532 3.404 -1.045
133 HE ARG 18 HE ARG 18 -13.974 0.831 -2.333
134 HH11 ARG 18 1HH1 ARG 18 -13.737 4.371 -2.341
135 HH12 ARG 18 2HH1 ARG 18 -12.825 4.453 -3.763
136 HH21 ARG 18 1HH2 ARG 18 -12.705 0.955 -4.308
137 HH22 ARG 18 2HH2 ARG 18 -12.208 2.462 -4.903
Start of MODEL 17
1 H1 GLY 1 H GLY 1 -11.296 -0.314 2.850
2 HA2 GLY 1 2HA GLY 1 -12.532 -1.963 1.753
3 HA3 GLY 1 1HA GLY 1 -13.309 -0.716 0.800
4 H PHE 2 H PHE 2 -10.400 0.334 0.292
5 HA PHE 2 HA PHE 2 -10.060 -1.470 -1.984
6 HB2 PHE 2 2HB PHE 2 -10.653 0.858 -2.530
7 HB3 PHE 2 1HB PHE 2 -9.166 1.394 -1.738
8 HD1 PHE 2 2HD PHE 2 -10.531 -0.522 -4.583
9 HD2 PHE 2 1HD PHE 2 -7.093 1.336 -2.904
10 HE1 PHE 2 2HE PHE 2 -9.340 -0.807 -6.717
11 HE2 PHE 2 1HE PHE 2 -5.894 1.052 -5.032
12 HZ PHE 2 HZ PHE 2 -7.020 -0.021 -6.942
13 H CYS 3 H CYS 3 -8.358 -2.610 -2.103
14 HA CYS 3 HA CYS 3 -6.034 -1.988 -0.426
15 HB2 CYS 3 2HB CYS 3 -6.922 -4.650 -1.542
16 HB3 CYS 3 1HB CYS 3 -5.455 -4.378 -0.614
17 H ARG 4 H ARG 4 -4.078 -1.864 -1.246
18 HA ARG 4 HA ARG 4 -3.546 -2.542 -4.009
19 HB2 ARG 4 2HB ARG 4 -2.478 -0.311 -4.393
20 HB3 ARG 4 1HB ARG 4 -4.221 -0.198 -4.202
21 HG2 ARG 4 2HG ARG 4 -3.983 0.624 -1.959
22 HG3 ARG 4 1HG ARG 4 -2.250 0.329 -1.991
23 HD2 ARG 4 2HD ARG 4 -2.782 2.708 -2.300
24 HD3 ARG 4 1HD ARG 4 -1.957 2.025 -3.691
25 HE ARG 4 HE ARG 4 -4.024 2.019 -4.864
26 HH11 ARG 4 1HH1 ARG 4 -4.171 3.819 -1.788
27 HH12 ARG 4 2HH1 ARG 4 -5.342 4.908 -2.348
28 HH21 ARG 4 1HH2 ARG 4 -5.688 3.528 -5.570
29 HH22 ARG 4 2HH2 ARG 4 -6.262 4.703 -4.485
30 H CYS 5 H CYS 5 -1.313 -3.067 -4.239
31 HA CYS 5 HA CYS 5 0.117 -2.806 -1.753
32 HB2 CYS 5 2HB CYS 5 0.618 -4.788 -3.957
33 HB3 CYS 5 1HB CYS 5 1.584 -4.622 -2.514
34 H LEU 6 H LEU 6 2.196 -2.116 -1.768
35 HA LEU 6 HA LEU 6 2.977 -0.665 -4.197
36 HB2 LEU 6 2HB LEU 6 1.692 0.792 -2.694
37 HB3 LEU 6 1HB LEU 6 2.824 0.458 -1.408
38 HG LEU 6 HG LEU 6 4.605 1.541 -2.726
39 HD11 LEU 6 1HD1 LEU 6 3.752 1.186 -4.953
40 HD12 LEU 6 2HD1 LEU 6 3.929 2.919 -4.654
41 HD13 LEU 6 3HD1 LEU 6 2.335 2.173 -4.598
42 HD21 LEU 6 3HD2 LEU 6 3.379 2.804 -1.043
43 HD22 LEU 6 1HD2 LEU 6 2.148 3.219 -2.235
44 HD23 LEU 6 2HD2 LEU 6 3.790 3.829 -2.418
45 H CYS 7 H CYS 7 5.160 -0.508 -4.489
46 HA CYS 7 HA CYS 7 6.874 -1.499 -2.346
47 HB2 CYS 7 2HB CYS 7 7.235 -1.944 -5.325
48 HB3 CYS 7 1HB CYS 7 8.377 -2.396 -4.073
49 H ARG 8 H ARG 8 8.380 -0.169 -1.727
50 HA ARG 8 HA ARG 8 9.278 1.936 -3.547
51 HB2 ARG 8 2HB ARG 8 8.526 2.293 -0.642
52 HB3 ARG 8 1HB ARG 8 9.366 3.486 -1.610
53 HG2 ARG 8 2HG ARG 8 7.442 3.708 -3.056
54 HG3 ARG 8 1HG ARG 8 6.601 2.440 -2.151
55 HD2 ARG 8 2HD ARG 8 7.540 5.083 -1.049
56 HD3 ARG 8 1HD ARG 8 5.873 4.661 -1.449
57 HE ARG 8 HE ARG 8 6.595 2.722 0.243
58 HH11 ARG 8 1HH1 ARG 8 6.736 6.244 0.477
59 HH12 ARG 8 2HH1 ARG 8 6.565 6.305 2.165
60 HH21 ARG 8 1HH2 ARG 8 6.355 2.793 2.583
61 HH22 ARG 8 2HH2 ARG 8 6.330 4.279 3.406
62 H ARG 9 H ARG 9 11.299 1.439 -3.874
63 HA ARG 9 HA ARG 9 13.479 1.145 -3.606
64 HB2 ARG 9 2HB ARG 9 12.990 3.143 -2.086
65 HB3 ARG 9 1HB ARG 9 13.145 2.029 -0.742
66 HG2 ARG 9 2HG ARG 9 15.197 3.301 -1.101
67 HG3 ARG 9 1HG ARG 9 15.452 1.574 -1.371
68 HD2 ARG 9 2HD ARG 9 16.530 2.999 -3.083
69 HD3 ARG 9 1HD ARG 9 15.365 1.875 -3.758
70 HE ARG 9 HE ARG 9 14.525 4.611 -3.175
71 HH11 ARG 9 1HH1 ARG 9 15.211 2.102 -5.571
72 HH12 ARG 9 2HH1 ARG 9 14.633 2.988 -6.902
73 HH21 ARG 9 1HH2 ARG 9 13.715 5.850 -5.019
74 HH22 ARG 9 2HH2 ARG 9 13.767 5.195 -6.585
75 H GLY 10 H GLY 10 11.828 -1.100 -3.159
76 HA2 GLY 10 2HA GLY 10 12.574 -3.334 -2.834
77 HA3 GLY 10 1HA GLY 10 13.753 -2.740 -1.677
78 H ASP 11 H ASP 11 11.118 -1.173 -0.743
79 HA ASP 11 HA ASP 11 10.355 -3.300 1.132
80 HB2 ASP 11 2HB ASP 11 11.181 -1.252 2.203
81 HB3 ASP 11 1HB ASP 11 10.000 -0.298 1.324
82 H CYS 12 H CYS 12 8.668 -4.399 0.379
83 HA CYS 12 HA CYS 12 6.558 -2.889 -0.933
84 HB2 CYS 12 2HB CYS 12 6.953 -5.855 -0.746
85 HB3 CYS 12 1HB CYS 12 5.661 -5.058 -1.608
86 H ARG 13 H ARG 13 4.718 -2.673 -0.166
87 HA ARG 13 HA ARG 13 3.951 -3.943 2.356
88 HB2 ARG 13 2HB ARG 13 5.088 -1.806 2.909
89 HB3 ARG 13 1HB ARG 13 3.980 -0.952 1.855
90 HG2 ARG 13 2HG ARG 13 3.316 -0.630 4.149
91 HG3 ARG 13 1HG ARG 13 2.113 -1.630 3.337
92 HD2 ARG 13 2HD ARG 13 3.159 -3.630 4.297
93 HD3 ARG 13 1HD ARG 13 4.323 -2.606 5.136
94 HE ARG 13 HE ARG 13 1.698 -1.809 5.753
95 HH11 ARG 13 1HH1 ARG 13 4.037 -4.356 6.462
96 HH12 ARG 13 2HH1 ARG 13 3.369 -4.738 7.985
97 HH21 ARG 13 1HH2 ARG 13 0.755 -2.363 7.847
98 HH22 ARG 13 2HH2 ARG 13 1.456 -3.602 8.766
99 H CYS 14 H CYS 14 1.710 -4.226 2.438
100 HA CYS 14 HA CYS 14 0.331 -3.144 0.163
101 HB2 CYS 14 2HB CYS 14 -0.477 -5.456 1.901
102 HB3 CYS 14 1HB CYS 14 -1.432 -4.833 0.578
103 H ILE 15 H ILE 15 -1.394 -1.969 0.359
104 HA ILE 15 HA ILE 15 -1.999 -1.015 3.065
105 HB ILE 15 HB ILE 15 -1.794 0.665 0.544
106 HG12 ILE 15 2HG1 ILE 15 -0.113 1.992 2.015
107 HG13 ILE 15 1HG1 ILE 15 -0.049 0.546 3.005
108 HG21 ILE 15 1HG2 ILE 15 -2.647 1.485 3.295
109 HG22 ILE 15 2HG2 ILE 15 -3.626 1.467 1.829
110 HG23 ILE 15 3HG2 ILE 15 -2.284 2.599 1.982
111 HD11 ILE 15 3HD1 ILE 15 1.814 0.637 1.455
112 HD12 ILE 15 1HD1 ILE 15 0.699 0.757 0.093
113 HD13 ILE 15 2HD1 ILE 15 0.756 -0.716 1.061
114 H CYS 16 H CYS 16 -4.054 -1.387 3.553
115 HA CYS 16 HA CYS 16 -6.048 -1.188 1.417
116 HB2 CYS 16 2HB CYS 16 -6.291 -2.563 4.090
117 HB3 CYS 16 1HB CYS 16 -7.564 -2.422 2.904
118 H THR 17 H THR 17 -7.588 0.228 1.621
119 HA THR 17 HA THR 17 -7.970 1.666 4.095
120 HB THR 17 HB THR 17 -7.268 3.211 1.628
121 HG1 THR 17 1HG THR 17 -5.655 1.967 3.455
122 HG21 THR 17 3HG2 THR 17 -7.424 4.006 4.529
123 HG22 THR 17 1HG2 THR 17 -8.609 4.378 3.278
124 HG23 THR 17 2HG2 THR 17 -6.992 5.088 3.204
125 H ARG 18 H ARG 18 -9.968 2.003 4.262
126 HA ARG 18 HA ARG 18 -12.177 1.881 3.966
127 HB2 ARG 18 2HB ARG 18 -11.467 4.261 3.478
128 HB3 ARG 18 1HB ARG 18 -11.676 3.884 1.776
129 HG2 ARG 18 2HG ARG 18 -13.986 3.354 2.156
130 HG3 ARG 18 1HG ARG 18 -13.822 3.705 3.871
131 HD2 ARG 18 2HD ARG 18 -13.095 6.020 3.260
132 HD3 ARG 18 1HD ARG 18 -13.527 5.657 1.585
133 HE ARG 18 HE ARG 18 -15.761 5.049 2.964
134 HH11 ARG 18 1HH1 ARG 18 -13.803 7.994 2.712
135 HH12 ARG 18 2HH1 ARG 18 -15.062 9.021 3.211
136 HH21 ARG 18 1HH2 ARG 18 -17.502 6.518 3.588
137 HH22 ARG 18 2HH2 ARG 18 -17.172 8.192 3.683
Start of MODEL 18
1 H1 GLY 1 H GLY 1 -10.650 0.738 2.578
2 HA2 GLY 1 2HA GLY 1 -11.973 -1.193 2.466
3 HA3 GLY 1 1HA GLY 1 -13.026 -0.377 1.323
4 H PHE 2 H PHE 2 -9.908 0.082 0.260
5 HA PHE 2 HA PHE 2 -10.009 -2.344 -1.401
6 HB2 PHE 2 2HB PHE 2 -10.585 -0.298 -2.691
7 HB3 PHE 2 1HB PHE 2 -9.081 0.437 -2.155
8 HD1 PHE 2 2HD PHE 2 -10.522 -2.218 -4.270
9 HD2 PHE 2 1HD PHE 2 -7.039 0.019 -3.286
10 HE1 PHE 2 2HE PHE 2 -9.392 -3.101 -6.268
11 HE2 PHE 2 1HE PHE 2 -5.906 -0.859 -5.287
12 HZ PHE 2 HZ PHE 2 -7.080 -2.423 -6.776
13 H CYS 3 H CYS 3 -8.021 -3.389 -1.687
14 HA CYS 3 HA CYS 3 -5.833 -2.292 -0.078
15 HB2 CYS 3 2HB CYS 3 -6.305 -5.161 -0.754
16 HB3 CYS 3 1HB CYS 3 -5.084 -4.530 0.333
17 H ARG 4 H ARG 4 -4.303 -1.625 -1.038
18 HA ARG 4 HA ARG 4 -3.696 -2.502 -3.782
19 HB2 ARG 4 2HB ARG 4 -4.492 -0.160 -3.644
20 HB3 ARG 4 1HB ARG 4 -3.229 0.192 -2.472
21 HG2 ARG 4 2HG ARG 4 -1.539 -0.339 -4.196
22 HG3 ARG 4 1HG ARG 4 -2.839 -0.568 -5.360
23 HD2 ARG 4 2HD ARG 4 -3.556 1.745 -5.005
24 HD3 ARG 4 1HD ARG 4 -2.220 1.982 -3.873
25 HE ARG 4 HE ARG 4 -1.345 0.995 -6.378
26 HH11 ARG 4 1HH1 ARG 4 -2.319 4.024 -4.768
27 HH12 ARG 4 2HH1 ARG 4 -1.474 5.021 -5.864
28 HH21 ARG 4 1HH2 ARG 4 -0.213 2.410 -7.873
29 HH22 ARG 4 2HH2 ARG 4 -0.234 4.092 -7.648
30 H CYS 5 H CYS 5 -1.479 -3.046 -4.138
31 HA CYS 5 HA CYS 5 0.023 -2.873 -1.711
32 HB2 CYS 5 2HB CYS 5 0.588 -4.656 -4.070
33 HB3 CYS 5 1HB CYS 5 1.471 -4.633 -2.557
34 H LEU 6 H LEU 6 2.081 -2.106 -1.709
35 HA LEU 6 HA LEU 6 2.830 -0.590 -4.079
36 HB2 LEU 6 2HB LEU 6 3.436 1.331 -2.572
37 HB3 LEU 6 1HB LEU 6 1.725 1.043 -2.767
38 HG LEU 6 HG LEU 6 1.826 -0.130 -0.490
39 HD11 LEU 6 1HD1 LEU 6 4.452 1.329 -0.299
40 HD12 LEU 6 2HD1 LEU 6 4.230 -0.425 -0.314
41 HD13 LEU 6 3HD1 LEU 6 3.602 0.534 1.028
42 HD21 LEU 6 3HD2 LEU 6 2.379 2.822 -0.663
43 HD22 LEU 6 1HD2 LEU 6 1.669 1.985 0.715
44 HD23 LEU 6 2HD2 LEU 6 0.809 2.033 -0.821
45 H CYS 7 H CYS 7 5.050 -0.024 -4.175
46 HA CYS 7 HA CYS 7 6.736 -1.451 -2.296
47 HB2 CYS 7 2HB CYS 7 7.114 -1.441 -5.303
48 HB3 CYS 7 1HB CYS 7 8.263 -2.081 -4.139
49 H ARG 8 H ARG 8 7.931 -0.036 -1.335
50 HA ARG 8 HA ARG 8 8.778 2.294 -2.856
51 HB2 ARG 8 2HB ARG 8 7.927 2.200 0.052
52 HB3 ARG 8 1HB ARG 8 8.643 3.604 -0.733
53 HG2 ARG 8 2HG ARG 8 6.753 3.732 -2.275
54 HG3 ARG 8 1HG ARG 8 6.044 2.298 -1.549
55 HD2 ARG 8 2HD ARG 8 5.828 3.490 0.578
56 HD3 ARG 8 1HD ARG 8 6.534 4.927 -0.157
57 HE ARG 8 HE ARG 8 4.406 4.243 -1.743
58 HH11 ARG 8 1HH1 ARG 8 4.791 5.158 1.673
59 HH12 ARG 8 2HH1 ARG 8 3.254 5.848 1.813
60 HH21 ARG 8 1HH2 ARG 8 2.254 5.191 -1.525
61 HH22 ARG 8 2HH2 ARG 8 1.761 5.846 -0.047
62 H ARG 9 H ARG 9 10.791 2.222 -3.192
63 HA ARG 9 HA ARG 9 12.976 1.808 -3.139
64 HB2 ARG 9 2HB ARG 9 12.666 3.440 -1.211
65 HB3 ARG 9 1HB ARG 9 12.759 2.048 -0.142
66 HG2 ARG 9 2HG ARG 9 14.990 1.546 -1.070
67 HG3 ARG 9 1HG ARG 9 14.906 3.041 -2.001
68 HD2 ARG 9 2HD ARG 9 16.133 3.465 -0.018
69 HD3 ARG 9 1HD ARG 9 14.562 4.254 0.140
70 HE ARG 9 HE ARG 9 14.652 1.605 1.226
71 HH11 ARG 9 1HH1 ARG 9 15.048 5.020 1.949
72 HH12 ARG 9 2HH1 ARG 9 15.053 4.838 3.641
73 HH21 ARG 9 1HH2 ARG 9 14.655 1.289 3.510
74 HH22 ARG 9 2HH2 ARG 9 14.817 2.619 4.573
75 H GLY 10 H GLY 10 11.550 -0.451 -3.376
76 HA2 GLY 10 2HA GLY 10 12.251 -2.672 -3.542
77 HA3 GLY 10 1HA GLY 10 13.413 -2.377 -2.259
78 H ASP 11 H ASP 11 11.072 -1.123 -0.680
79 HA ASP 11 HA ASP 11 10.371 -3.676 0.531
80 HB2 ASP 11 2HB ASP 11 11.238 -1.961 2.038
81 HB3 ASP 11 1HB ASP 11 9.978 -0.845 1.527
82 H CYS 12 H CYS 12 8.617 -4.627 -0.114
83 HA CYS 12 HA CYS 12 6.409 -2.996 -1.074
84 HB2 CYS 12 2HB CYS 12 6.813 -5.959 -1.325
85 HB3 CYS 12 1HB CYS 12 5.529 -5.020 -2.045
86 H ARG 13 H ARG 13 4.628 -2.944 -0.203
87 HA ARG 13 HA ARG 13 3.890 -4.698 1.998
88 HB2 ARG 13 2HB ARG 13 5.074 -2.899 3.132
89 HB3 ARG 13 1HB ARG 13 4.166 -1.690 2.242
90 HG2 ARG 13 2HG ARG 13 3.362 -1.836 4.518
91 HG3 ARG 13 1HG ARG 13 2.117 -2.382 3.397
92 HD2 ARG 13 2HD ARG 13 2.846 -4.744 3.900
93 HD3 ARG 13 1HD ARG 13 3.873 -4.078 5.175
94 HE ARG 13 HE ARG 13 1.321 -3.048 5.482
95 HH11 ARG 13 1HH1 ARG 13 2.965 -6.175 5.934
96 HH12 ARG 13 2HH1 ARG 13 1.783 -6.798 6.980
97 HH21 ARG 13 1HH2 ARG 13 -0.289 -3.934 6.966
98 HH22 ARG 13 2HH2 ARG 13 -0.090 -5.525 7.566
99 H CYS 14 H CYS 14 1.638 -4.867 2.150
100 HA CYS 14 HA CYS 14 0.284 -3.387 0.110
101 HB2 CYS 14 2HB CYS 14 -0.669 -5.800 1.633
102 HB3 CYS 14 1HB CYS 14 -1.559 -5.001 0.351
103 H ILE 15 H ILE 15 -1.451 -2.166 0.514
104 HA ILE 15 HA ILE 15 -1.991 -1.668 3.334
105 HB ILE 15 HB ILE 15 -0.420 0.006 2.569
106 HG12 ILE 15 2HG1 ILE 15 -1.698 2.077 3.090
107 HG13 ILE 15 1HG1 ILE 15 -3.192 1.159 2.919
108 HG21 ILE 15 1HG2 ILE 15 -0.821 0.010 0.209
109 HG22 ILE 15 2HG2 ILE 15 -0.975 1.653 0.834
110 HG23 ILE 15 3HG2 ILE 15 -2.422 0.713 0.443
111 HD11 ILE 15 3HD1 ILE 15 -2.570 1.472 5.245
112 HD12 ILE 15 1HD1 ILE 15 -1.042 0.645 4.957
113 HD13 ILE 15 2HD1 ILE 15 -2.560 -0.233 4.805
114 H CYS 16 H CYS 16 -4.071 -1.604 3.813
115 HA CYS 16 HA CYS 16 -5.996 -1.339 1.637
116 HB2 CYS 16 2HB CYS 16 -6.511 -2.143 4.480
117 HB3 CYS 16 1HB CYS 16 -7.650 -2.205 3.157
118 H THR 17 H THR 17 -7.149 0.266 1.396
119 HA THR 17 HA THR 17 -7.542 2.265 3.479
120 HB THR 17 HB THR 17 -6.510 3.070 0.775
121 HG1 THR 17 1HG THR 17 -5.140 2.178 3.023
122 HG21 THR 17 3HG2 THR 17 -5.996 5.197 1.923
123 HG22 THR 17 1HG2 THR 17 -6.648 4.529 3.417
124 HG23 THR 17 2HG2 THR 17 -7.710 4.787 2.030
125 H ARG 18 H ARG 18 -9.520 3.097 3.250
126 HA ARG 18 HA ARG 18 -11.592 3.546 2.580
127 HB2 ARG 18 2HB ARG 18 -10.189 4.874 0.923
128 HB3 ARG 18 1HB ARG 18 -10.516 3.596 -0.232
129 HG2 ARG 18 2HG ARG 18 -12.903 3.986 0.088
130 HG3 ARG 18 1HG ARG 18 -12.521 5.370 1.106
131 HD2 ARG 18 2HD ARG 18 -11.208 6.327 -0.783
132 HD3 ARG 18 1HD ARG 18 -11.794 5.006 -1.790
133 HE ARG 18 HE ARG 18 -13.997 6.143 -0.656
134 HH11 ARG 18 1HH1 ARG 18 -11.443 7.083 -2.906
135 HH12 ARG 18 2HH1 ARG 18 -12.331 8.324 -3.640
136 HH21 ARG 18 1HH2 ARG 18 -15.237 7.827 -1.650
137 HH22 ARG 18 2HH2 ARG 18 -14.579 8.773 -2.910
Start of MODEL 19
1 H1 GLY 1 H GLY 1 -11.122 -0.598 2.529
2 HA2 GLY 1 2HA GLY 1 -11.945 -2.729 2.015
3 HA3 GLY 1 1HA GLY 1 -12.986 -2.004 0.805
4 H PHE 2 H PHE 2 -10.531 -0.542 -0.297
5 HA PHE 2 HA PHE 2 -9.695 -2.831 -1.930
6 HB2 PHE 2 2HB PHE 2 -10.741 -0.888 -3.087
7 HB3 PHE 2 1HB PHE 2 -9.415 0.122 -2.514
8 HD1 PHE 2 2HD PHE 2 -10.357 -2.604 -4.773
9 HD2 PHE 2 1HD PHE 2 -7.245 0.039 -3.578
10 HE1 PHE 2 2HE PHE 2 -9.067 -3.224 -6.777
11 HE2 PHE 2 1HE PHE 2 -5.948 -0.578 -5.578
12 HZ PHE 2 HZ PHE 2 -6.865 -2.213 -7.178
13 H CYS 3 H CYS 3 -7.643 -3.451 -1.938
14 HA CYS 3 HA CYS 3 -5.828 -1.926 -0.225
15 HB2 CYS 3 2HB CYS 3 -5.699 -4.861 -0.847
16 HB3 CYS 3 1HB CYS 3 -4.697 -3.985 0.299
17 H ARG 4 H ARG 4 -4.056 -1.189 -0.936
18 HA ARG 4 HA ARG 4 -3.109 -2.047 -3.563
19 HB2 ARG 4 2HB ARG 4 -4.343 0.113 -3.769
20 HB3 ARG 4 1HB ARG 4 -3.271 0.818 -2.572
21 HG2 ARG 4 2HG ARG 4 -2.585 1.526 -4.766
22 HG3 ARG 4 1HG ARG 4 -1.362 0.437 -4.111
23 HD2 ARG 4 2HD ARG 4 -2.367 -1.412 -5.424
24 HD3 ARG 4 1HD ARG 4 -3.507 -0.263 -6.119
25 HE ARG 4 HE ARG 4 -0.711 0.396 -6.427
26 HH11 ARG 4 1HH1 ARG 4 -3.570 -1.136 -7.977
27 HH12 ARG 4 2HH1 ARG 4 -2.894 -1.041 -9.521
28 HH21 ARG 4 1HH2 ARG 4 0.178 0.416 -8.630
29 HH22 ARG 4 2HH2 ARG 4 -0.793 -0.190 -9.900
30 H CYS 5 H CYS 5 -0.879 -2.238 -3.633
31 HA CYS 5 HA CYS 5 0.368 -1.842 -1.076
32 HB2 CYS 5 2HB CYS 5 1.434 -3.408 -3.399
33 HB3 CYS 5 1HB CYS 5 2.084 -3.383 -1.776
34 H LEU 6 H LEU 6 2.133 -0.807 -0.712
35 HA LEU 6 HA LEU 6 2.935 1.170 -2.712
36 HB2 LEU 6 2HB LEU 6 1.977 1.948 -0.529
37 HB3 LEU 6 1HB LEU 6 3.295 1.144 0.292
38 HG LEU 6 HG LEU 6 4.881 2.666 -0.887
39 HD11 LEU 6 1HD1 LEU 6 2.341 4.046 -1.751
40 HD12 LEU 6 2HD1 LEU 6 3.519 3.264 -2.805
41 HD13 LEU 6 3HD1 LEU 6 3.965 4.711 -1.903
42 HD21 LEU 6 3HD2 LEU 6 4.160 3.107 1.400
43 HD22 LEU 6 1HD2 LEU 6 2.755 3.987 0.802
44 HD23 LEU 6 2HD2 LEU 6 4.380 4.614 0.513
45 H CYS 7 H CYS 7 4.874 0.695 -3.603
46 HA CYS 7 HA CYS 7 6.687 -0.987 -2.048
47 HB2 CYS 7 2HB CYS 7 6.336 -0.838 -5.039
48 HB3 CYS 7 1HB CYS 7 7.569 -1.790 -4.214
49 H ARG 8 H ARG 8 8.713 -0.369 -1.743
50 HA ARG 8 HA ARG 8 9.757 1.906 -3.225
51 HB2 ARG 8 2HB ARG 8 8.628 2.722 -1.141
52 HB3 ARG 8 1HB ARG 8 9.752 1.745 -0.214
53 HG2 ARG 8 2HG ARG 8 11.617 3.061 -1.060
54 HG3 ARG 8 1HG ARG 8 10.502 4.034 -2.025
55 HD2 ARG 8 2HD ARG 8 10.587 3.811 0.979
56 HD3 ARG 8 1HD ARG 8 11.009 5.225 0.010
57 HE ARG 8 HE ARG 8 8.463 4.705 -0.715
58 HH11 ARG 8 1HH1 ARG 8 10.000 5.359 2.386
59 HH12 ARG 8 2HH1 ARG 8 8.583 5.899 3.153
60 HH21 ARG 8 1HH2 ARG 8 6.541 5.427 0.270
61 HH22 ARG 8 2HH2 ARG 8 6.517 5.898 1.919
62 H ARG 9 H ARG 9 11.530 1.057 -4.060
63 HA ARG 9 HA ARG 9 13.459 -0.055 -4.370
64 HB2 ARG 9 2HB ARG 9 14.179 1.622 -2.676
65 HB3 ARG 9 1HB ARG 9 13.827 0.469 -1.403
66 HG2 ARG 9 2HG ARG 9 15.604 -0.998 -2.248
67 HG3 ARG 9 1HG ARG 9 15.944 0.164 -3.531
68 HD2 ARG 9 2HD ARG 9 17.496 0.392 -1.643
69 HD3 ARG 9 1HD ARG 9 16.533 1.844 -1.901
70 HE ARG 9 HE ARG 9 15.697 -0.138 0.062
71 HH11 ARG 9 1HH1 ARG 9 17.023 3.083 -0.597
72 HH12 ARG 9 2HH1 ARG 9 16.557 3.739 0.895
73 HH21 ARG 9 1HH2 ARG 9 15.081 0.799 2.156
74 HH22 ARG 9 2HH2 ARG 9 15.477 2.421 2.491
75 H GLY 10 H GLY 10 11.327 -1.661 -4.147
76 HA2 GLY 10 2HA GLY 10 11.134 -3.969 -4.303
77 HA3 GLY 10 1HA GLY 10 12.615 -4.134 -3.374
78 H ASP 11 H ASP 11 11.212 -2.132 -1.402
79 HA ASP 11 HA ASP 11 10.075 -4.313 0.166
80 HB2 ASP 11 2HB ASP 11 11.748 -2.823 1.237
81 HB3 ASP 11 1HB ASP 11 10.676 -1.454 0.961
82 H CYS 12 H CYS 12 8.019 -4.693 -0.060
83 HA CYS 12 HA CYS 12 6.285 -2.445 -0.706
84 HB2 CYS 12 2HB CYS 12 5.767 -5.372 -1.096
85 HB3 CYS 12 1HB CYS 12 4.680 -4.077 -1.531
86 H ARG 13 H ARG 13 4.736 -1.912 0.424
87 HA ARG 13 HA ARG 13 4.029 -3.371 2.888
88 HB2 ARG 13 2HB ARG 13 5.383 -1.298 3.277
89 HB3 ARG 13 1HB ARG 13 4.167 -0.379 2.418
90 HG2 ARG 13 2HG ARG 13 3.885 -0.064 4.772
91 HG3 ARG 13 1HG ARG 13 2.527 -1.005 4.159
92 HD2 ARG 13 2HD ARG 13 3.491 -3.043 5.005
93 HD3 ARG 13 1HD ARG 13 4.960 -2.190 5.484
94 HE ARG 13 HE ARG 13 2.638 -1.080 6.660
95 HH11 ARG 13 1HH1 ARG 13 4.912 -3.779 6.994
96 HH12 ARG 13 2HH1 ARG 13 4.734 -3.874 8.688
97 HH21 ARG 13 1HH2 ARG 13 2.387 -1.244 8.981
98 HH22 ARG 13 2HH2 ARG 13 3.293 -2.404 9.838
99 H CYS 14 H CYS 14 1.872 -3.965 2.722
100 HA CYS 14 HA CYS 14 0.383 -2.540 0.717
101 HB2 CYS 14 2HB CYS 14 -0.370 -5.102 2.060
102 HB3 CYS 14 1HB CYS 14 -1.224 -4.356 0.725
103 H ILE 15 H ILE 15 -1.362 -1.461 0.950
104 HA ILE 15 HA ILE 15 -2.222 -0.878 3.705
105 HB ILE 15 HB ILE 15 -1.821 1.120 1.461
106 HG12 ILE 15 2HG1 ILE 15 0.336 0.388 2.370
107 HG13 ILE 15 1HG1 ILE 15 0.007 2.055 2.828
108 HG21 ILE 15 1HG2 ILE 15 -2.662 1.569 4.323
109 HG22 ILE 15 2HG2 ILE 15 -3.678 1.743 2.890
110 HG23 ILE 15 3HG2 ILE 15 -2.312 2.834 3.142
111 HD11 ILE 15 3HD1 ILE 15 -0.304 -0.376 4.588
112 HD12 ILE 15 1HD1 ILE 15 -0.652 1.290 5.064
113 HD13 ILE 15 2HD1 ILE 15 0.996 0.808 4.653
114 H CYS 16 H CYS 16 -4.363 -1.066 3.952
115 HA CYS 16 HA CYS 16 -5.969 -1.173 1.554
116 HB2 CYS 16 2HB CYS 16 -6.699 -1.999 4.341
117 HB3 CYS 16 1HB CYS 16 -7.702 -2.188 2.919
118 H THR 17 H THR 17 -7.480 0.062 1.074
119 HA THR 17 HA THR 17 -8.100 2.360 2.753
120 HB THR 17 HB THR 17 -8.113 3.575 0.485
121 HG1 THR 17 1HG THR 17 -7.487 1.280 -0.427
122 HG21 THR 17 3HG2 THR 17 -6.526 4.114 2.268
123 HG22 THR 17 1HG2 THR 17 -5.722 4.162 0.699
124 HG23 THR 17 2HG2 THR 17 -5.495 2.777 1.768
125 H ARG 18 H ARG 18 -10.233 1.999 3.150
126 HA ARG 18 HA ARG 18 -12.411 1.692 2.916
127 HB2 ARG 18 2HB ARG 18 -12.001 3.824 1.671
128 HB3 ARG 18 1HB ARG 18 -11.961 2.901 0.180
129 HG2 ARG 18 2HG ARG 18 -14.232 2.181 0.598
130 HG3 ARG 18 1HG ARG 18 -14.295 3.178 2.051
131 HD2 ARG 18 2HD ARG 18 -15.337 4.410 0.248
132 HD3 ARG 18 1HD ARG 18 -13.815 5.190 0.669
133 HE ARG 18 HE ARG 18 -14.023 3.342 -1.607
134 HH11 ARG 18 1HH1 ARG 18 -13.043 6.520 -0.355
135 HH12 ARG 18 2HH1 ARG 18 -12.553 7.112 -1.870
136 HH21 ARG 18 1HH2 ARG 18 -13.352 4.195 -3.695
137 HH22 ARG 18 2HH2 ARG 18 -12.761 5.778 -3.820
Start of MODEL 20
1 H1 GLY 1 H GLY 1 -11.074 0.367 2.888
2 HA2 GLY 1 2HA GLY 1 -11.720 -1.839 2.599
3 HA3 GLY 1 1HA GLY 1 -13.068 -1.245 1.642
4 H PHE 2 H PHE 2 -10.046 -0.166 0.522
5 HA PHE 2 HA PHE 2 -9.965 -2.290 -1.489
6 HB2 PHE 2 2HB PHE 2 -10.843 -0.211 -2.441
7 HB3 PHE 2 1HB PHE 2 -9.436 0.659 -1.834
8 HD1 PHE 2 1HD PHE 2 -10.293 -2.231 -4.042
9 HD2 PHE 2 2HD PHE 2 -7.694 1.056 -3.299
10 HE1 PHE 2 1HE PHE 2 -9.151 -2.657 -6.167
11 HE2 PHE 2 2HE PHE 2 -6.550 0.628 -5.426
12 HZ PHE 2 HZ PHE 2 -7.274 -1.229 -6.862
13 H CYS 3 H CYS 3 -8.018 -3.156 -1.806
14 HA CYS 3 HA CYS 3 -5.850 -2.050 -0.201
15 HB2 CYS 3 2HB CYS 3 -6.203 -4.856 -1.249
16 HB3 CYS 3 1HB CYS 3 -4.837 -4.302 -0.284
17 H ARG 4 H ARG 4 -3.904 -1.613 -0.963
18 HA ARG 4 HA ARG 4 -3.383 -1.905 -3.845
19 HB2 ARG 4 2HB ARG 4 -2.743 0.479 -2.095
20 HB3 ARG 4 1HB ARG 4 -2.246 0.279 -3.757
21 HG2 ARG 4 2HG ARG 4 -4.540 0.439 -4.490
22 HG3 ARG 4 1HG ARG 4 -5.086 0.536 -2.812
23 HD2 ARG 4 2HD ARG 4 -3.781 2.575 -2.503
24 HD3 ARG 4 1HD ARG 4 -3.241 2.484 -4.178
25 HE ARG 4 HE ARG 4 -5.763 2.572 -4.627
26 HH11 ARG 4 1HH1 ARG 4 -4.097 4.325 -2.036
27 HH12 ARG 4 2HH1 ARG 4 -5.107 5.671 -2.083
28 HH21 ARG 4 1HH2 ARG 4 -7.217 4.388 -4.654
29 HH22 ARG 4 2HH2 ARG 4 -6.969 5.709 -3.608
30 H CYS 5 H CYS 5 -1.381 -2.858 -4.090
31 HA CYS 5 HA CYS 5 0.215 -2.792 -1.711
32 HB2 CYS 5 2HB CYS 5 0.653 -4.479 -4.143
33 HB3 CYS 5 1HB CYS 5 1.584 -4.553 -2.675
34 H LEU 6 H LEU 6 2.075 -1.900 -1.651
35 HA LEU 6 HA LEU 6 2.965 -0.397 -4.032
36 HB2 LEU 6 2HB LEU 6 2.848 0.632 -1.196
37 HB3 LEU 6 1HB LEU 6 3.529 1.490 -2.558
38 HG LEU 6 HG LEU 6 0.620 0.744 -2.245
39 HD11 LEU 6 1HD1 LEU 6 2.019 3.393 -1.960
40 HD12 LEU 6 2HD1 LEU 6 1.301 2.439 -0.656
41 HD13 LEU 6 3HD1 LEU 6 0.276 3.135 -1.905
42 HD21 LEU 6 3HD2 LEU 6 2.011 2.439 -4.327
43 HD22 LEU 6 1HD2 LEU 6 0.266 2.222 -4.173
44 HD23 LEU 6 2HD2 LEU 6 1.284 0.850 -4.594
45 H CYS 7 H CYS 7 5.154 -0.078 -4.198
46 HA CYS 7 HA CYS 7 6.798 -1.415 -2.199
47 HB2 CYS 7 2HB CYS 7 7.148 -1.535 -5.201
48 HB3 CYS 7 1HB CYS 7 8.288 -2.182 -4.025
49 H ARG 8 H ARG 8 8.243 -0.124 -1.368
50 HA ARG 8 HA ARG 8 9.029 2.240 -2.902
51 HB2 ARG 8 2HB ARG 8 8.609 2.018 0.086
52 HB3 ARG 8 1HB ARG 8 9.214 3.444 -0.746
53 HG2 ARG 8 2HG ARG 8 7.093 3.644 -1.957
54 HG3 ARG 8 1HG ARG 8 6.499 2.201 -1.149
55 HD2 ARG 8 2HD ARG 8 5.610 4.194 -0.110
56 HD3 ARG 8 1HD ARG 8 6.680 3.357 1.012
57 HE ARG 8 HE ARG 8 8.346 5.112 -0.009
58 HH11 ARG 8 1HH1 ARG 8 4.983 5.675 1.025
59 HH12 ARG 8 2HH1 ARG 8 5.276 7.260 1.561
60 HH21 ARG 8 1HH2 ARG 8 8.712 7.301 0.702
61 HH22 ARG 8 2HH2 ARG 8 7.419 8.218 1.352
62 H ARG 9 H ARG 9 10.933 1.562 -3.677
63 HA ARG 9 HA ARG 9 13.142 1.308 -3.761
64 HB2 ARG 9 2HB ARG 9 13.151 3.127 -2.068
65 HB3 ARG 9 1HB ARG 9 13.083 1.939 -0.785
66 HG2 ARG 9 2HG ARG 9 15.319 2.917 -1.094
67 HG3 ARG 9 1HG ARG 9 15.309 1.170 -1.351
68 HD2 ARG 9 2HD ARG 9 16.643 2.322 -3.044
69 HD3 ARG 9 1HD ARG 9 15.261 1.499 -3.746
70 HE ARG 9 HE ARG 9 14.878 4.300 -3.115
71 HH11 ARG 9 1HH1 ARG 9 15.688 1.920 -5.606
72 HH12 ARG 9 2HH1 ARG 9 15.444 2.970 -6.908
73 HH21 ARG 9 1HH2 ARG 9 14.508 5.762 -4.921
74 HH22 ARG 9 2HH2 ARG 9 14.760 5.215 -6.510
75 H GLY 10 H GLY 10 11.313 -0.886 -3.091
76 HA2 GLY 10 2HA GLY 10 12.080 -3.190 -3.308
77 HA3 GLY 10 1HA GLY 10 13.336 -2.806 -2.142
78 H ASP 11 H ASP 11 11.112 -1.195 -0.719
79 HA ASP 11 HA ASP 11 10.260 -3.410 0.944
80 HB2 ASP 11 2HB ASP 11 11.008 -1.453 2.132
81 HB3 ASP 11 1HB ASP 11 9.938 -0.410 1.201
82 H CYS 12 H CYS 12 8.658 -4.526 0.031
83 HA CYS 12 HA CYS 12 6.409 -3.019 -1.057
84 HB2 CYS 12 2HB CYS 12 6.898 -5.978 -1.129
85 HB3 CYS 12 1HB CYS 12 5.553 -5.146 -1.870
86 H ARG 13 H ARG 13 4.582 -2.943 -0.259
87 HA ARG 13 HA ARG 13 3.844 -4.478 2.104
88 HB2 ARG 13 2HB ARG 13 5.152 -2.521 2.905
89 HB3 ARG 13 1HB ARG 13 4.027 -1.465 2.077
90 HG2 ARG 13 2HG ARG 13 2.236 -2.192 3.521
91 HG3 ARG 13 1HG ARG 13 3.324 -3.327 4.323
92 HD2 ARG 13 2HD ARG 13 4.728 -1.488 5.038
93 HD3 ARG 13 1HD ARG 13 3.633 -0.337 4.262
94 HE ARG 13 HE ARG 13 2.046 -1.753 5.921
95 HH11 ARG 13 1HH1 ARG 13 5.038 0.085 6.384
96 HH12 ARG 13 2HH1 ARG 13 4.687 0.548 7.984
97 HH21 ARG 13 1HH2 ARG 13 1.519 -1.072 8.127
98 HH22 ARG 13 2HH2 ARG 13 2.630 -0.132 8.992
99 H CYS 14 H CYS 14 1.575 -4.608 2.268
100 HA CYS 14 HA CYS 14 0.230 -3.158 0.163
101 HB2 CYS 14 2HB CYS 14 -0.787 -5.614 1.546
102 HB3 CYS 14 1HB CYS 14 -1.554 -4.803 0.204
103 H ILE 15 H ILE 15 -1.214 -1.846 0.528
104 HA ILE 15 HA ILE 15 -1.928 -1.279 3.359
105 HB ILE 15 HB ILE 15 -1.584 0.692 1.072
106 HG12 ILE 15 2HG1 ILE 15 0.568 -0.138 1.899
107 HG13 ILE 15 1HG1 ILE 15 0.345 1.552 2.329
108 HG21 ILE 15 1HG2 ILE 15 -1.907 2.464 2.726
109 HG22 ILE 15 2HG2 ILE 15 -2.257 1.255 3.953
110 HG23 ILE 15 3HG2 ILE 15 -3.343 1.447 2.570
111 HD11 ILE 15 3HD1 ILE 15 0.006 -0.816 4.165
112 HD12 ILE 15 1HD1 ILE 15 -0.277 0.867 4.610
113 HD13 ILE 15 2HD1 ILE 15 1.340 0.330 4.166
114 H CYS 16 H CYS 16 -4.088 -1.000 3.833
115 HA CYS 16 HA CYS 16 -5.877 -1.042 1.522
116 HB2 CYS 16 2HB CYS 16 -6.455 -2.282 4.194
117 HB3 CYS 16 1HB CYS 16 -7.473 -2.351 2.775
118 H THR 17 H THR 17 -7.352 0.350 1.393
119 HA THR 17 HA THR 17 -8.174 1.981 3.606
120 HB THR 17 HB THR 17 -6.217 3.185 3.016
121 HG1 THR 17 1HG THR 17 -7.551 5.021 1.733
122 HG21 THR 17 3HG2 THR 17 -5.783 2.338 0.774
123 HG22 THR 17 1HG2 THR 17 -5.795 4.099 0.745
124 HG23 THR 17 2HG2 THR 17 -7.193 3.204 0.150
125 H ARG 18 H ARG 18 -10.096 2.810 3.325
126 HA ARG 18 HA ARG 18 -12.254 2.917 2.657
127 HB2 ARG 18 2HB ARG 18 -11.145 4.491 0.960
128 HB3 ARG 18 1HB ARG 18 -11.218 3.157 -0.181
129 HG2 ARG 18 2HG ARG 18 -13.691 3.076 0.309
130 HG3 ARG 18 1HG ARG 18 -13.492 4.644 1.082
131 HD2 ARG 18 2HD ARG 18 -14.182 4.993 -1.194
132 HD3 ARG 18 1HD ARG 18 -12.502 5.498 -1.027
133 HE ARG 18 HE ARG 18 -12.770 2.789 -1.855
134 HH11 ARG 18 1HH1 ARG 18 -12.835 6.096 -3.033
135 HH12 ARG 18 2HH1 ARG 18 -12.346 5.703 -4.618
136 HH21 ARG 18 1HH2 ARG 18 -12.107 2.218 -4.022
137 HH22 ARG 18 2HH2 ARG 18 -11.919 3.429 -5.201