Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
11396 | 1rg3 RC | 6040 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H GLY 1 1HT GLY 1 -12.121 2.795 -2.371
2 2H GLY 1 2HT GLY 1 -12.019 2.323 -0.750
3 3H GLY 1 3HT GLY 1 -12.469 1.199 -1.931
4 1HA GLY 1 1HA GLY 1 -10.379 0.731 -2.491
5 2HA GLY 1 2HA GLY 1 -9.945 2.433 -2.497
6 H ARG 2 H ARG 2 -8.196 2.632 -1.260
7 HA ARG 2 HA ARG 2 -6.838 2.619 0.562
8 1HB ARG 2 2HB ARG 2 -9.553 2.426 1.699
9 2HB ARG 2 1HB ARG 2 -8.260 1.894 2.766
10 1HG ARG 2 2HG ARG 2 -8.240 4.072 3.336
11 2HG ARG 2 1HG ARG 2 -7.200 4.201 1.915
12 1HD ARG 2 2HD ARG 2 -10.182 4.495 1.730
13 2HD ARG 2 1HD ARG 2 -9.139 5.858 2.132
14 HE ARG 2 HE ARG 2 -8.288 4.500 -0.233
15 1HH1 ARG 2 1HH1 ARG 2 -10.560 6.845 0.998
16 2HH1 ARG 2 2HH1 ARG 2 -10.738 7.657 -0.521
17 1HH2 ARG 2 1HH2 ARG 2 -8.521 5.567 -2.234
18 2HH2 ARG 2 2HH2 ARG 2 -9.581 6.931 -2.356
19 H MET 3 H MET 3 -5.351 1.160 1.068
20 HA MET 3 HA MET 3 -4.297 -0.851 1.257
21 1HB MET 3 2HB MET 3 -6.520 -2.145 2.695
22 2HB MET 3 1HB MET 3 -4.842 -1.935 3.169
23 1HG MET 3 2HG MET 3 -7.040 0.107 3.368
24 2HG MET 3 1HG MET 3 -6.285 -0.769 4.697
25 1HE MET 3 1HE MET 3 -4.619 2.226 5.868
26 2HE MET 3 2HE MET 3 -6.018 1.156 5.948
27 3HE MET 3 3HE MET 3 -6.102 2.650 5.013
28 H LEU 4 H LEU 4 -5.184 -0.798 -1.175
29 HA LEU 4 HA LEU 4 -5.610 -3.454 -1.879
30 1HB LEU 4 2HB LEU 4 -7.963 -2.312 -1.095
31 2HB LEU 4 1HB LEU 4 -8.001 -2.115 -2.836
32 HG LEU 4 HG LEU 4 -9.141 -4.148 -2.279
33 1HD1 LEU 4 1HD1 LEU 4 -8.208 -5.425 -3.890
34 2HD1 LEU 4 2HD1 LEU 4 -6.595 -5.330 -3.184
35 3HD1 LEU 4 3HD1 LEU 4 -7.218 -3.987 -4.143
36 1HD2 LEU 4 1HD2 LEU 4 -8.008 -4.436 -0.067
37 2HD2 LEU 4 2HD2 LEU 4 -6.624 -5.105 -0.931
38 3HD2 LEU 4 3HD2 LEU 4 -8.186 -5.920 -1.002
39 HA PRO 5 HA PRO 5 -5.683 -0.777 -5.787
40 1HB PRO 5 2HB PRO 5 -6.166 1.975 -4.950
41 2HB PRO 5 1HB PRO 5 -7.169 0.941 -5.975
42 1HG PRO 5 2HG PRO 5 -8.002 1.654 -3.516
43 2HG PRO 5 1HG PRO 5 -8.317 0.025 -4.156
44 1HD PRO 5 2HD PRO 5 -6.050 0.895 -2.390
45 2HD PRO 5 1HD PRO 5 -7.252 -0.392 -2.104
46 H GLN 6 H GLN 6 -4.111 0.166 -2.928
47 HA GLN 6 HA GLN 6 -1.784 1.076 -4.464
48 1HB GLN 6 2HB GLN 6 -3.014 2.977 -3.334
49 2HB GLN 6 1HB GLN 6 -2.577 2.243 -1.797
50 1HG GLN 6 2HG GLN 6 -0.249 2.551 -2.235
51 2HG GLN 6 1HG GLN 6 -0.582 3.086 -3.881
52 1HE2 GLN 6 1HE2 GLN 6 0.821 4.429 -1.686
53 2HE2 GLN 6 2HE2 GLN 6 0.003 5.934 -1.456
54 H LEU 7 H LEU 7 -2.947 -1.324 -2.599
55 HA LEU 7 HA LEU 7 -1.123 -1.698 -0.534
56 1HB LEU 7 2HB LEU 7 -3.107 -3.055 -0.732
57 2HB LEU 7 1HB LEU 7 -2.549 -3.722 -2.254
58 HG LEU 7 HG LEU 7 -0.827 -4.142 0.134
59 1HD1 LEU 7 1HD1 LEU 7 -3.583 -5.180 -0.165
60 2HD1 LEU 7 2HD1 LEU 7 -2.641 -4.857 1.291
61 3HD1 LEU 7 3HD1 LEU 7 -2.340 -6.320 0.352
62 1HD2 LEU 7 1HD2 LEU 7 0.027 -5.832 -1.086
63 2HD2 LEU 7 2HD2 LEU 7 -0.688 -4.952 -2.436
64 3HD2 LEU 7 3HD2 LEU 7 -1.547 -6.314 -1.719
65 H VAL 8 H VAL 8 -0.674 -1.969 -3.928
66 HA VAL 8 HA VAL 8 1.734 -3.567 -3.689
67 HB VAL 8 HB VAL 8 1.782 -2.713 -6.277
68 1HG1 VAL 8 1HG1 VAL 8 1.183 -4.894 -6.849
69 2HG1 VAL 8 2HG1 VAL 8 0.112 -5.064 -5.458
70 3HG1 VAL 8 3HG1 VAL 8 1.861 -5.042 -5.229
71 1HG2 VAL 8 1HG2 VAL 8 -0.381 -2.649 -7.217
72 2HG2 VAL 8 2HG2 VAL 8 -0.433 -1.549 -5.840
73 3HG2 VAL 8 3HG2 VAL 8 -1.138 -3.159 -5.708
74 H CYS 9 H CYS 9 1.062 -0.493 -5.289
75 HA CYS 9 HA CYS 9 3.688 0.401 -5.370
76 1HB CYS 9 2HB CYS 9 1.039 1.811 -5.381
77 2HB CYS 9 1HB CYS 9 2.516 2.761 -5.256
78 HG CYS 9 HG CYS 9 3.094 2.229 -7.626
79 H ARG 10 H ARG 10 1.288 0.613 -2.770
80 HA ARG 10 HA ARG 10 2.983 2.235 -1.173
81 1HB ARG 10 2HB ARG 10 0.621 2.074 -0.555
82 2HB ARG 10 1HB ARG 10 0.837 0.361 -0.193
83 1HG ARG 10 2HG ARG 10 2.860 1.824 1.203
84 2HG ARG 10 1HG ARG 10 1.285 2.590 1.509
85 1HD ARG 10 2HD ARG 10 1.517 -0.382 1.678
86 2HD ARG 10 1HD ARG 10 2.116 0.607 3.010
87 HE ARG 10 HE ARG 10 -0.638 0.174 2.253
88 1HH1 ARG 10 1HH1 ARG 10 1.597 2.177 4.041
89 2HH1 ARG 10 2HH1 ARG 10 0.383 2.789 5.112
90 1HH2 ARG 10 1HH2 ARG 10 -2.230 0.979 3.664
91 2HH2 ARG 10 2HH2 ARG 10 -1.790 2.108 4.901
92 H LEU 11 H LEU 11 2.472 -1.223 -1.414
93 HA LEU 11 HA LEU 11 3.907 -2.407 0.426
94 1HB LEU 11 2HB LEU 11 3.075 -3.224 -2.011
95 2HB LEU 11 1HB LEU 11 4.808 -3.180 -2.278
96 HG LEU 11 HG LEU 11 3.525 -4.704 -0.015
97 1HD1 LEU 11 1HD1 LEU 11 2.736 -5.571 -2.166
98 2HD1 LEU 11 2HD1 LEU 11 3.816 -6.706 -1.358
99 3HD1 LEU 11 3HD1 LEU 11 4.406 -5.736 -2.706
100 1HD2 LEU 11 1HD2 LEU 11 6.172 -5.349 -1.194
101 2HD2 LEU 11 2HD2 LEU 11 5.596 -5.528 0.464
102 3HD2 LEU 11 3HD2 LEU 11 6.053 -3.936 -0.145
103 H VAL 12 H VAL 12 5.114 -0.514 -2.239
104 HA VAL 12 HA VAL 12 7.818 -0.804 -1.527
105 HB VAL 12 HB VAL 12 6.550 1.561 -2.910
106 1HG1 VAL 12 1HG1 VAL 12 8.712 2.182 -2.158
107 2HG1 VAL 12 2HG1 VAL 12 8.861 1.823 -3.878
108 3HG1 VAL 12 3HG1 VAL 12 9.410 0.649 -2.681
109 1HG2 VAL 12 1HG2 VAL 12 6.482 -0.964 -3.856
110 2HG2 VAL 12 2HG2 VAL 12 8.036 -0.428 -4.496
111 3HG2 VAL 12 3HG2 VAL 12 6.566 0.467 -4.883
112 H LEU 13 H LEU 13 5.359 1.588 -0.901
113 HA LEU 13 HA LEU 13 6.929 2.799 1.159
114 1HB LEU 13 2HB LEU 13 4.130 3.581 1.078
115 2HB LEU 13 1HB LEU 13 5.591 4.554 1.162
116 HG LEU 13 HG LEU 13 4.594 3.256 -1.377
117 1HD1 LEU 13 1HD1 LEU 13 4.426 6.179 -0.986
118 2HD1 LEU 13 2HD1 LEU 13 3.229 5.191 -0.149
119 3HD1 LEU 13 3HD1 LEU 13 3.383 5.093 -1.903
120 1HD2 LEU 13 1HD2 LEU 13 7.086 4.104 -0.833
121 2HD2 LEU 13 2HD2 LEU 13 6.363 5.612 -1.391
122 3HD2 LEU 13 3HD2 LEU 13 6.353 4.191 -2.435
123 H ARG 14 H ARG 14 5.340 -0.015 1.125
124 HA ARG 14 HA ARG 14 3.906 0.085 3.550
125 1HB ARG 14 2HB ARG 14 3.448 -1.784 2.144
126 2HB ARG 14 1HB ARG 14 5.152 -2.202 2.031
127 1HG ARG 14 2HG ARG 14 3.932 -2.221 4.726
128 2HG ARG 14 1HG ARG 14 3.449 -3.497 3.606
129 1HD ARG 14 2HD ARG 14 6.346 -2.871 3.926
130 2HD ARG 14 1HD ARG 14 5.529 -3.792 5.188
131 HE ARG 14 HE ARG 14 4.857 -5.030 2.831
132 1HH1 ARG 14 1HH1 ARG 14 7.823 -4.270 4.505
133 2HH1 ARG 14 2HH1 ARG 14 8.676 -5.640 3.878
134 1HH2 ARG 14 1HH2 ARG 14 5.977 -6.835 2.006
135 2HH2 ARG 14 2HH2 ARG 14 7.628 -7.096 2.459
136 H CYS 15 H CYS 15 7.086 -0.495 2.398
137 HA CYS 15 HA CYS 15 8.317 -0.885 5.010
138 1HB CYS 15 2HB CYS 15 8.919 -1.576 2.306
139 2HB CYS 15 1HB CYS 15 10.220 -0.567 2.908
140 HG CYS 15 HG CYS 15 9.648 -2.784 4.860
141 H SER 16 H SER 16 7.555 1.604 2.802
142 HA SER 16 HA SER 16 9.328 3.484 2.597
143 1HB SER 16 2HB SER 16 7.273 4.330 2.054
144 2HB SER 16 1HB SER 16 6.519 3.743 3.534
145 HG SER 16 HG SER 16 6.738 6.009 3.546
Start of MODEL 2
1 1H GLY 1 1HT GLY 1 -12.927 0.309 -1.694
2 2H GLY 1 2HT GLY 1 -12.513 1.924 -1.983
3 3H GLY 1 3HT GLY 1 -12.009 1.165 -0.559
4 1HA GLY 1 1HA GLY 1 -11.024 -0.461 -2.505
5 2HA GLY 1 2HA GLY 1 -10.809 1.153 -3.162
6 H ARG 2 H ARG 2 -10.624 -0.067 0.175
7 HA ARG 2 HA ARG 2 -8.076 1.312 0.488
8 1HB ARG 2 2HB ARG 2 -10.059 0.100 2.384
9 2HB ARG 2 1HB ARG 2 -8.419 0.434 2.920
10 1HG ARG 2 2HG ARG 2 -10.036 2.231 3.454
11 2HG ARG 2 1HG ARG 2 -8.677 2.770 2.466
12 1HD ARG 2 2HD ARG 2 -11.137 1.862 1.074
13 2HD ARG 2 1HD ARG 2 -11.186 3.420 1.895
14 HE ARG 2 HE ARG 2 -8.868 3.294 0.317
15 1HH1 ARG 2 1HH1 ARG 2 -12.335 3.486 -0.037
16 2HH1 ARG 2 2HH1 ARG 2 -12.260 4.316 -1.554
17 1HH2 ARG 2 1HH2 ARG 2 -8.767 4.388 -1.678
18 2HH2 ARG 2 2HH2 ARG 2 -10.234 4.828 -2.488
19 H MET 3 H MET 3 -6.145 0.331 0.725
20 HA MET 3 HA MET 3 -4.552 -1.288 0.608
21 1HB MET 3 2HB MET 3 -6.541 -3.096 1.976
22 2HB MET 3 1HB MET 3 -4.786 -3.182 2.039
23 1HG MET 3 2HG MET 3 -5.807 -0.630 2.964
24 2HG MET 3 1HG MET 3 -6.438 -1.990 3.889
25 1HE MET 3 1HE MET 3 -4.882 0.446 4.590
26 2HE MET 3 2HE MET 3 -3.132 0.417 4.374
27 3HE MET 3 3HE MET 3 -3.843 -0.137 5.891
28 H LEU 4 H LEU 4 -5.336 -1.116 -1.751
29 HA LEU 4 HA LEU 4 -5.357 -3.724 -2.818
30 1HB LEU 4 2HB LEU 4 -7.866 -2.830 -2.213
31 2HB LEU 4 1HB LEU 4 -7.706 -2.409 -3.907
32 HG LEU 4 HG LEU 4 -6.799 -5.105 -3.517
33 1HD1 LEU 4 1HD1 LEU 4 -9.275 -5.864 -3.018
34 2HD1 LEU 4 2HD1 LEU 4 -9.313 -4.342 -2.128
35 3HD1 LEU 4 3HD1 LEU 4 -8.119 -5.574 -1.718
36 1HD2 LEU 4 1HD2 LEU 4 -7.979 -5.464 -5.418
37 2HD2 LEU 4 2HD2 LEU 4 -7.921 -3.704 -5.495
38 3HD2 LEU 4 3HD2 LEU 4 -9.360 -4.513 -4.873
39 HA PRO 5 HA PRO 5 -5.164 -0.581 -6.366
40 1HB PRO 5 2HB PRO 5 -5.941 2.007 -5.246
41 2HB PRO 5 1HB PRO 5 -6.711 1.085 -6.544
42 1HG PRO 5 2HG PRO 5 -7.946 1.375 -4.181
43 2HG PRO 5 1HG PRO 5 -8.012 -0.173 -5.055
44 1HD PRO 5 2HD PRO 5 -6.101 0.620 -2.879
45 2HD PRO 5 1HD PRO 5 -7.215 -0.773 -2.921
46 H GLN 6 H GLN 6 -4.062 0.154 -3.222
47 HA GLN 6 HA GLN 6 -1.602 1.322 -4.317
48 1HB GLN 6 2HB GLN 6 -3.157 2.987 -3.144
49 2HB GLN 6 1HB GLN 6 -2.762 2.134 -1.658
50 1HG GLN 6 2HG GLN 6 -0.341 2.591 -2.177
51 2HG GLN 6 1HG GLN 6 -0.907 3.663 -3.457
52 1HE2 GLN 6 1HE2 GLN 6 -2.867 5.068 -2.495
53 2HE2 GLN 6 2HE2 GLN 6 -2.431 5.937 -1.066
54 H LEU 7 H LEU 7 -2.910 -1.282 -2.842
55 HA LEU 7 HA LEU 7 -1.280 -1.787 -0.627
56 1HB LEU 7 2HB LEU 7 -3.287 -3.067 -1.083
57 2HB LEU 7 1HB LEU 7 -2.586 -3.692 -2.563
58 HG LEU 7 HG LEU 7 -1.207 -4.236 0.031
59 1HD1 LEU 7 1HD1 LEU 7 -3.154 -5.087 0.807
60 2HD1 LEU 7 2HD1 LEU 7 -2.691 -6.451 -0.211
61 3HD1 LEU 7 3HD1 LEU 7 -3.848 -5.260 -0.804
62 1HD2 LEU 7 1HD2 LEU 7 -1.108 -6.485 -1.469
63 2HD2 LEU 7 2HD2 LEU 7 0.090 -5.192 -1.541
64 3HD2 LEU 7 3HD2 LEU 7 -1.213 -5.255 -2.729
65 H VAL 8 H VAL 8 -0.664 -2.030 -4.016
66 HA VAL 8 HA VAL 8 1.751 -3.593 -3.669
67 HB VAL 8 HB VAL 8 0.764 -2.274 -6.190
68 1HG1 VAL 8 1HG1 VAL 8 2.123 -4.035 -7.282
69 2HG1 VAL 8 2HG1 VAL 8 2.704 -4.529 -5.693
70 3HG1 VAL 8 3HG1 VAL 8 3.083 -2.920 -6.308
71 1HG2 VAL 8 1HG2 VAL 8 0.139 -4.866 -6.542
72 2HG2 VAL 8 2HG2 VAL 8 -0.996 -3.666 -5.925
73 3HG2 VAL 8 3HG2 VAL 8 -0.132 -4.720 -4.806
74 H CYS 9 H CYS 9 1.037 -0.523 -5.249
75 HA CYS 9 HA CYS 9 3.639 0.434 -5.324
76 1HB CYS 9 2HB CYS 9 0.958 1.786 -5.299
77 2HB CYS 9 1HB CYS 9 2.417 2.763 -5.179
78 HG CYS 9 HG CYS 9 2.296 0.872 -7.595
79 H ARG 10 H ARG 10 1.255 0.532 -2.701
80 HA ARG 10 HA ARG 10 2.944 2.177 -1.111
81 1HB ARG 10 2HB ARG 10 0.507 1.853 -0.565
82 2HB ARG 10 1HB ARG 10 0.946 0.255 0.044
83 1HG ARG 10 2HG ARG 10 2.792 1.697 1.343
84 2HG ARG 10 1HG ARG 10 1.543 2.937 1.155
85 1HD ARG 10 2HD ARG 10 1.077 1.914 3.220
86 2HD ARG 10 1HD ARG 10 -0.100 1.246 2.093
87 HE ARG 10 HE ARG 10 2.203 -0.406 2.256
88 1HH1 ARG 10 1HH1 ARG 10 -0.693 0.472 3.993
89 2HH1 ARG 10 2HH1 ARG 10 -0.810 -1.045 4.820
90 1HH2 ARG 10 1HH2 ARG 10 2.050 -2.409 3.346
91 2HH2 ARG 10 2HH2 ARG 10 0.748 -2.680 4.453
92 H LEU 11 H LEU 11 2.481 -1.284 -1.381
93 HA LEU 11 HA LEU 11 3.955 -2.457 0.442
94 1HB LEU 11 2HB LEU 11 3.127 -3.247 -2.020
95 2HB LEU 11 1HB LEU 11 4.862 -3.200 -2.264
96 HG LEU 11 HG LEU 11 3.504 -4.772 -0.075
97 1HD1 LEU 11 1HD1 LEU 11 2.820 -5.845 -2.026
98 2HD1 LEU 11 2HD1 LEU 11 4.277 -6.720 -1.556
99 3HD1 LEU 11 3HD1 LEU 11 4.345 -5.524 -2.851
100 1HD2 LEU 11 1HD2 LEU 11 6.248 -5.320 -1.073
101 2HD2 LEU 11 2HD2 LEU 11 5.559 -5.555 0.533
102 3HD2 LEU 11 3HD2 LEU 11 6.011 -3.937 -0.003
103 H VAL 12 H VAL 12 5.096 -0.509 -2.213
104 HA VAL 12 HA VAL 12 7.813 -0.748 -1.539
105 HB VAL 12 HB VAL 12 6.564 1.677 -2.813
106 1HG1 VAL 12 1HG1 VAL 12 8.759 2.239 -2.402
107 2HG1 VAL 12 2HG1 VAL 12 8.873 1.559 -4.026
108 3HG1 VAL 12 3HG1 VAL 12 9.335 0.588 -2.629
109 1HG2 VAL 12 1HG2 VAL 12 5.788 -0.225 -4.064
110 2HG2 VAL 12 2HG2 VAL 12 7.418 -0.898 -4.128
111 3HG2 VAL 12 3HG2 VAL 12 7.045 0.591 -4.996
112 H LEU 13 H LEU 13 5.309 1.580 -0.860
113 HA LEU 13 HA LEU 13 6.870 2.818 1.195
114 1HB LEU 13 2HB LEU 13 4.049 3.514 1.157
115 2HB LEU 13 1HB LEU 13 5.481 4.527 1.232
116 HG LEU 13 HG LEU 13 4.549 3.217 -1.321
117 1HD1 LEU 13 1HD1 LEU 13 3.918 5.781 -1.697
118 2HD1 LEU 13 2HD1 LEU 13 3.610 5.667 0.037
119 3HD1 LEU 13 3HD1 LEU 13 2.770 4.592 -1.081
120 1HD2 LEU 13 1HD2 LEU 13 6.049 4.671 -2.404
121 2HD2 LEU 13 2HD2 LEU 13 6.942 4.019 -1.030
122 3HD2 LEU 13 3HD2 LEU 13 6.272 5.650 -0.955
123 H ARG 14 H ARG 14 5.357 -0.042 1.148
124 HA ARG 14 HA ARG 14 3.937 -0.015 3.579
125 1HB ARG 14 2HB ARG 14 3.526 -1.907 2.220
126 2HB ARG 14 1HB ARG 14 5.240 -2.208 1.984
127 1HG ARG 14 2HG ARG 14 4.190 -2.377 4.747
128 2HG ARG 14 1HG ARG 14 3.764 -3.666 3.619
129 1HD ARG 14 2HD ARG 14 6.587 -2.915 3.539
130 2HD ARG 14 1HD ARG 14 6.065 -3.541 5.103
131 HE ARG 14 HE ARG 14 5.084 -5.255 3.142
132 1HH1 ARG 14 1HH1 ARG 14 8.171 -4.229 4.405
133 2HH1 ARG 14 2HH1 ARG 14 8.963 -5.722 4.027
134 1HH2 ARG 14 1HH2 ARG 14 6.125 -7.219 2.644
135 2HH2 ARG 14 2HH2 ARG 14 7.802 -7.419 3.027
136 H CYS 15 H CYS 15 7.130 -0.520 2.412
137 HA CYS 15 HA CYS 15 8.391 -0.827 5.020
138 1HB CYS 15 2HB CYS 15 8.975 -1.575 2.334
139 2HB CYS 15 1HB CYS 15 10.258 -0.515 2.880
140 HG CYS 15 HG CYS 15 9.895 -2.587 4.968
141 H SER 16 H SER 16 7.561 1.615 2.784
142 HA SER 16 HA SER 16 9.316 3.499 2.512
143 1HB SER 16 2HB SER 16 6.517 3.620 3.032
144 2HB SER 16 1HB SER 16 7.298 4.981 3.820
145 HG SER 16 HG SER 16 7.120 5.768 1.855
Start of MODEL 3
1 1H GLY 1 1HT GLY 1 -10.602 0.360 -6.845
2 2H GLY 1 2HT GLY 1 -9.420 1.221 -5.996
3 3H GLY 1 3HT GLY 1 -11.056 1.463 -5.645
4 1HA GLY 1 1HA GLY 1 -11.291 -0.679 -4.703
5 2HA GLY 1 2HA GLY 1 -9.704 -1.148 -5.293
6 H ARG 2 H ARG 2 -10.783 -1.166 -2.562
7 HA ARG 2 HA ARG 2 -9.002 0.793 -1.281
8 1HB ARG 2 2HB ARG 2 -11.597 -0.412 -0.533
9 2HB ARG 2 1HB ARG 2 -10.444 -0.212 0.779
10 1HG ARG 2 2HG ARG 2 -11.912 1.703 0.640
11 2HG ARG 2 1HG ARG 2 -10.256 2.171 0.244
12 1HD ARG 2 2HD ARG 2 -11.942 1.346 -2.030
13 2HD ARG 2 1HD ARG 2 -12.412 2.846 -1.233
14 HE ARG 2 HE ARG 2 -10.215 2.486 -2.967
15 1HH1 ARG 2 1HH1 ARG 2 -11.113 4.127 -0.021
16 2HH1 ARG 2 2HH1 ARG 2 -9.972 5.411 -0.241
17 1HH2 ARG 2 1HH2 ARG 2 -8.713 4.173 -3.257
18 2HH2 ARG 2 2HH2 ARG 2 -8.609 5.437 -2.078
19 H MET 3 H MET 3 -7.188 0.099 -0.363
20 HA MET 3 HA MET 3 -5.565 -1.266 0.457
21 1HB MET 3 2HB MET 3 -7.863 -3.013 1.353
22 2HB MET 3 1HB MET 3 -6.227 -3.020 1.996
23 1HG MET 3 2HG MET 3 -6.680 -1.376 3.407
24 2HG MET 3 1HG MET 3 -7.388 -0.385 2.132
25 1HE MET 3 1HE MET 3 -8.730 -3.028 5.203
26 2HE MET 3 2HE MET 3 -9.317 -1.425 5.642
27 3HE MET 3 3HE MET 3 -7.625 -1.654 5.201
28 H LEU 4 H LEU 4 -5.314 -1.601 -1.977
29 HA LEU 4 HA LEU 4 -4.572 -4.204 -2.493
30 1HB LEU 4 2HB LEU 4 -7.274 -4.099 -2.646
31 2HB LEU 4 1HB LEU 4 -6.822 -3.791 -4.311
32 HG LEU 4 HG LEU 4 -7.245 -6.151 -4.001
33 1HD1 LEU 4 1HD1 LEU 4 -4.390 -5.349 -4.448
34 2HD1 LEU 4 2HD1 LEU 4 -5.615 -5.795 -5.635
35 3HD1 LEU 4 3HD1 LEU 4 -4.914 -7.028 -4.586
36 1HD2 LEU 4 1HD2 LEU 4 -6.780 -6.246 -1.590
37 2HD2 LEU 4 2HD2 LEU 4 -5.057 -6.086 -1.927
38 3HD2 LEU 4 3HD2 LEU 4 -5.934 -7.511 -2.481
39 HA PRO 5 HA PRO 5 -4.275 -1.676 -6.516
40 1HB PRO 5 2HB PRO 5 -5.799 0.780 -6.015
41 2HB PRO 5 1HB PRO 5 -6.025 -0.431 -7.286
42 1HG PRO 5 2HG PRO 5 -7.832 -0.211 -5.326
43 2HG PRO 5 1HG PRO 5 -7.332 -1.815 -5.910
44 1HD PRO 5 2HD PRO 5 -6.248 -0.309 -3.551
45 2HD PRO 5 1HD PRO 5 -6.984 -1.935 -3.587
46 H GLN 6 H GLN 6 -4.140 -0.193 -3.419
47 HA GLN 6 HA GLN 6 -1.891 1.504 -4.265
48 1HB GLN 6 2HB GLN 6 -3.853 2.701 -3.274
49 2HB GLN 6 1HB GLN 6 -3.600 1.800 -1.786
50 1HG GLN 6 2HG GLN 6 -1.395 2.802 -1.538
51 2HG GLN 6 1HG GLN 6 -1.625 3.691 -3.044
52 1HE2 GLN 6 1HE2 GLN 6 -3.721 3.081 -0.248
53 2HE2 GLN 6 2HE2 GLN 6 -4.049 4.745 0.086
54 H LEU 7 H LEU 7 -2.752 -1.314 -2.649
55 HA LEU 7 HA LEU 7 -0.899 -1.332 -0.523
56 1HB LEU 7 2HB LEU 7 -2.894 -3.031 -1.518
57 2HB LEU 7 1HB LEU 7 -1.412 -3.966 -1.564
58 HG LEU 7 HG LEU 7 -1.062 -3.584 0.819
59 1HD1 LEU 7 1HD1 LEU 7 -3.487 -1.852 0.521
60 2HD1 LEU 7 2HD1 LEU 7 -1.936 -1.477 1.274
61 3HD1 LEU 7 3HD1 LEU 7 -3.063 -2.575 2.074
62 1HD2 LEU 7 1HD2 LEU 7 -2.646 -5.095 1.590
63 2HD2 LEU 7 2HD2 LEU 7 -2.607 -5.416 -0.144
64 3HD2 LEU 7 3HD2 LEU 7 -3.914 -4.452 0.545
65 H VAL 8 H VAL 8 -0.703 -2.147 -3.886
66 HA VAL 8 HA VAL 8 1.774 -3.523 -3.809
67 HB VAL 8 HB VAL 8 0.655 -2.004 -6.160
68 1HG1 VAL 8 1HG1 VAL 8 2.091 -3.188 -7.492
69 2HG1 VAL 8 2HG1 VAL 8 2.184 -4.547 -6.374
70 3HG1 VAL 8 3HG1 VAL 8 3.065 -3.059 -6.028
71 1HG2 VAL 8 1HG2 VAL 8 -0.199 -4.404 -6.735
72 2HG2 VAL 8 2HG2 VAL 8 -1.139 -3.364 -5.665
73 3HG2 VAL 8 3HG2 VAL 8 -0.123 -4.638 -4.989
74 H CYS 9 H CYS 9 1.009 -0.339 -5.107
75 HA CYS 9 HA CYS 9 3.669 0.555 -5.188
76 1HB CYS 9 2HB CYS 9 0.997 1.904 -5.276
77 2HB CYS 9 1HB CYS 9 2.424 2.898 -5.009
78 HG CYS 9 HG CYS 9 2.897 2.781 -7.401
79 H ARG 10 H ARG 10 1.288 0.422 -2.625
80 HA ARG 10 HA ARG 10 3.104 1.947 -0.944
81 1HB ARG 10 2HB ARG 10 0.623 2.286 -0.658
82 2HB ARG 10 1HB ARG 10 0.608 0.703 0.132
83 1HG ARG 10 2HG ARG 10 2.800 1.968 1.271
84 2HG ARG 10 1HG ARG 10 1.588 3.257 1.123
85 1HD ARG 10 2HD ARG 10 1.109 2.349 3.208
86 2HD ARG 10 1HD ARG 10 -0.052 1.543 2.155
87 HE ARG 10 HE ARG 10 2.092 -0.134 2.186
88 1HH1 ARG 10 1HH1 ARG 10 0.087 1.308 4.652
89 2HH1 ARG 10 2HH1 ARG 10 0.287 -0.007 5.760
90 1HH2 ARG 10 1HH2 ARG 10 2.356 -1.866 3.644
91 2HH2 ARG 10 2HH2 ARG 10 1.575 -1.807 5.189
92 H LEU 11 H LEU 11 3.160 -0.984 -2.010
93 HA LEU 11 HA LEU 11 3.766 -2.455 0.343
94 1HB LEU 11 2HB LEU 11 3.094 -3.251 -2.177
95 2HB LEU 11 1HB LEU 11 4.841 -3.366 -2.262
96 HG LEU 11 HG LEU 11 3.085 -4.789 -0.259
97 1HD1 LEU 11 1HD1 LEU 11 2.719 -5.954 -2.208
98 2HD1 LEU 11 2HD1 LEU 11 4.139 -6.782 -1.569
99 3HD1 LEU 11 3HD1 LEU 11 4.318 -5.589 -2.855
100 1HD2 LEU 11 1HD2 LEU 11 5.966 -5.402 -0.727
101 2HD2 LEU 11 2HD2 LEU 11 4.970 -5.692 0.699
102 3HD2 LEU 11 3HD2 LEU 11 5.527 -4.060 0.329
103 H VAL 12 H VAL 12 5.274 -0.707 -2.271
104 HA VAL 12 HA VAL 12 7.949 -1.044 -1.314
105 HB VAL 12 HB VAL 12 6.886 1.213 -3.018
106 1HG1 VAL 12 1HG1 VAL 12 8.959 1.973 -2.509
107 2HG1 VAL 12 2HG1 VAL 12 9.415 0.896 -3.829
108 3HG1 VAL 12 3HG1 VAL 12 9.585 0.363 -2.157
109 1HG2 VAL 12 1HG2 VAL 12 6.741 -1.386 -3.734
110 2HG2 VAL 12 2HG2 VAL 12 8.360 -0.985 -4.309
111 3HG2 VAL 12 3HG2 VAL 12 6.969 -0.062 -4.877
112 H LEU 13 H LEU 13 5.384 1.270 -0.961
113 HA LEU 13 HA LEU 13 6.905 2.732 0.988
114 1HB LEU 13 2HB LEU 13 4.037 3.310 0.757
115 2HB LEU 13 1HB LEU 13 5.408 4.388 0.957
116 HG LEU 13 HG LEU 13 5.226 3.050 -1.672
117 1HD1 LEU 13 1HD1 LEU 13 3.489 5.411 -1.453
118 2HD1 LEU 13 2HD1 LEU 13 2.851 3.929 -0.739
119 3HD1 LEU 13 3HD1 LEU 13 3.319 3.959 -2.440
120 1HD2 LEU 13 1HD2 LEU 13 6.257 4.954 -2.419
121 2HD2 LEU 13 2HD2 LEU 13 6.822 4.916 -0.749
122 3HD2 LEU 13 3HD2 LEU 13 5.489 5.978 -1.205
123 H ARG 14 H ARG 14 5.480 -0.154 0.982
124 HA ARG 14 HA ARG 14 3.955 -0.080 3.318
125 1HB ARG 14 2HB ARG 14 3.647 -2.058 2.108
126 2HB ARG 14 1HB ARG 14 5.371 -2.311 1.898
127 1HG ARG 14 2HG ARG 14 4.261 -2.395 4.647
128 2HG ARG 14 1HG ARG 14 3.953 -3.758 3.570
129 1HD ARG 14 2HD ARG 14 6.732 -2.783 3.644
130 2HD ARG 14 1HD ARG 14 6.145 -3.527 5.130
131 HE ARG 14 HE ARG 14 5.567 -5.095 2.807
132 1HH1 ARG 14 1HH1 ARG 14 8.036 -4.323 5.150
133 2HH1 ARG 14 2HH1 ARG 14 8.869 -5.828 4.954
134 1HH2 ARG 14 1HH2 ARG 14 6.662 -7.075 2.548
135 2HH2 ARG 14 2HH2 ARG 14 8.090 -7.390 3.476
136 H CYS 15 H CYS 15 7.221 -0.562 2.380
137 HA CYS 15 HA CYS 15 8.331 -0.734 5.063
138 1HB CYS 15 2HB CYS 15 9.132 -1.455 2.414
139 2HB CYS 15 1HB CYS 15 10.329 -0.357 3.074
140 HG CYS 15 HG CYS 15 11.210 -2.489 3.984
141 H SER 16 H SER 16 7.522 1.625 2.738
142 HA SER 16 HA SER 16 9.165 3.621 2.552
143 1HB SER 16 2HB SER 16 7.057 4.264 1.898
144 2HB SER 16 1HB SER 16 6.313 3.742 3.406
145 HG SER 16 HG SER 16 6.861 5.594 4.341
Start of MODEL 4
1 1H GLY 1 1HT GLY 1 -11.029 1.618 -5.563
2 2H GLY 1 2HT GLY 1 -12.148 1.356 -4.322
3 3H GLY 1 3HT GLY 1 -12.234 0.444 -5.745
4 1HA GLY 1 1HA GLY 1 -11.279 -0.957 -4.117
5 2HA GLY 1 2HA GLY 1 -10.003 -0.481 -5.228
6 H ARG 2 H ARG 2 -11.193 -0.321 -1.999
7 HA ARG 2 HA ARG 2 -9.038 1.481 -1.180
8 1HB ARG 2 2HB ARG 2 -11.437 0.375 0.280
9 2HB ARG 2 1HB ARG 2 -10.174 1.302 1.079
10 1HG ARG 2 2HG ARG 2 -11.995 2.249 -1.121
11 2HG ARG 2 1HG ARG 2 -12.018 2.747 0.571
12 1HD ARG 2 2HD ARG 2 -10.836 4.486 -0.307
13 2HD ARG 2 1HD ARG 2 -9.504 3.382 0.038
14 HE ARG 2 HE ARG 2 -10.259 2.771 -2.513
15 1HH1 ARG 2 1HH1 ARG 2 -9.242 5.682 -0.881
16 2HH1 ARG 2 2HH1 ARG 2 -8.529 6.377 -2.299
17 1HH2 ARG 2 1HH2 ARG 2 -9.321 3.680 -4.377
18 2HH2 ARG 2 2HH2 ARG 2 -8.571 5.240 -4.283
19 H MET 3 H MET 3 -7.196 0.732 -0.377
20 HA MET 3 HA MET 3 -5.628 -0.641 0.532
21 1HB MET 3 2HB MET 3 -7.145 -0.734 2.458
22 2HB MET 3 1HB MET 3 -8.023 -2.062 1.712
23 1HG MET 3 2HG MET 3 -5.805 -3.314 1.730
24 2HG MET 3 1HG MET 3 -5.244 -2.055 2.829
25 1HE MET 3 1HE MET 3 -7.446 -2.470 5.940
26 2HE MET 3 2HE MET 3 -8.097 -1.551 4.583
27 3HE MET 3 3HE MET 3 -6.386 -1.426 4.991
28 H LEU 4 H LEU 4 -5.412 -1.214 -1.813
29 HA LEU 4 HA LEU 4 -4.934 -3.903 -2.148
30 1HB LEU 4 2HB LEU 4 -7.620 -3.543 -2.304
31 2HB LEU 4 1HB LEU 4 -7.149 -3.417 -3.987
32 HG LEU 4 HG LEU 4 -5.881 -5.653 -3.532
33 1HD1 LEU 4 1HD1 LEU 4 -8.042 -5.928 -1.467
34 2HD1 LEU 4 2HD1 LEU 4 -6.398 -5.452 -1.045
35 3HD1 LEU 4 3HD1 LEU 4 -6.696 -7.014 -1.807
36 1HD2 LEU 4 1HD2 LEU 4 -7.540 -5.831 -5.097
37 2HD2 LEU 4 2HD2 LEU 4 -8.775 -5.167 -4.027
38 3HD2 LEU 4 3HD2 LEU 4 -8.222 -6.829 -3.812
39 HA PRO 5 HA PRO 5 -4.417 -1.701 -6.326
40 1HB PRO 5 2HB PRO 5 -5.769 0.882 -6.065
41 2HB PRO 5 1HB PRO 5 -6.092 -0.428 -7.209
42 1HG PRO 5 2HG PRO 5 -7.861 0.127 -5.274
43 2HG PRO 5 1HG PRO 5 -7.504 -1.558 -5.718
44 1HD PRO 5 2HD PRO 5 -6.275 0.046 -3.496
45 2HD PRO 5 1HD PRO 5 -7.143 -1.511 -3.394
46 H GLN 6 H GLN 6 -4.157 -0.082 -3.332
47 HA GLN 6 HA GLN 6 -1.865 1.499 -4.276
48 1HB GLN 6 2HB GLN 6 -3.707 2.802 -3.237
49 2HB GLN 6 1HB GLN 6 -3.511 1.867 -1.763
50 1HG GLN 6 2HG GLN 6 -0.969 2.836 -2.314
51 2HG GLN 6 1HG GLN 6 -2.052 4.174 -2.697
52 1HE2 GLN 6 1HE2 GLN 6 -3.870 4.381 -0.969
53 2HE2 GLN 6 2HE2 GLN 6 -3.314 4.387 0.667
54 H LEU 7 H LEU 7 -2.790 -1.256 -2.553
55 HA LEU 7 HA LEU 7 -0.892 -1.341 -0.494
56 1HB LEU 7 2HB LEU 7 -2.956 -2.867 -1.057
57 2HB LEU 7 1HB LEU 7 -1.751 -3.828 -1.892
58 HG LEU 7 HG LEU 7 -0.459 -3.805 0.332
59 1HD1 LEU 7 1HD1 LEU 7 -3.063 -3.476 1.687
60 2HD1 LEU 7 2HD1 LEU 7 -2.269 -2.005 1.125
61 3HD1 LEU 7 3HD1 LEU 7 -1.434 -3.087 2.241
62 1HD2 LEU 7 1HD2 LEU 7 -2.963 -5.306 0.750
63 2HD2 LEU 7 2HD2 LEU 7 -1.289 -5.863 0.744
64 3HD2 LEU 7 3HD2 LEU 7 -2.134 -5.591 -0.781
65 H VAL 8 H VAL 8 -0.721 -2.125 -3.869
66 HA VAL 8 HA VAL 8 1.746 -3.518 -3.825
67 HB VAL 8 HB VAL 8 0.576 -1.965 -6.129
68 1HG1 VAL 8 1HG1 VAL 8 2.113 -2.923 -7.474
69 2HG1 VAL 8 2HG1 VAL 8 2.108 -4.441 -6.577
70 3HG1 VAL 8 3HG1 VAL 8 3.035 -3.067 -5.976
71 1HG2 VAL 8 1HG2 VAL 8 0.197 -4.881 -6.024
72 2HG2 VAL 8 2HG2 VAL 8 -0.902 -3.609 -6.559
73 3HG2 VAL 8 3HG2 VAL 8 -0.727 -3.956 -4.840
74 H CYS 9 H CYS 9 1.029 -0.326 -5.128
75 HA CYS 9 HA CYS 9 3.697 0.536 -5.196
76 1HB CYS 9 2HB CYS 9 1.211 2.251 -4.907
77 2HB CYS 9 1HB CYS 9 2.793 2.806 -5.445
78 HG CYS 9 HG CYS 9 2.298 1.000 -7.506
79 H ARG 10 H ARG 10 1.319 0.410 -2.642
80 HA ARG 10 HA ARG 10 3.118 1.932 -0.944
81 1HB ARG 10 2HB ARG 10 0.646 2.280 -0.685
82 2HB ARG 10 1HB ARG 10 0.598 0.681 0.071
83 1HG ARG 10 2HG ARG 10 2.770 1.900 1.292
84 2HG ARG 10 1HG ARG 10 1.575 3.204 1.137
85 1HD ARG 10 2HD ARG 10 1.006 2.266 3.181
86 2HD ARG 10 1HD ARG 10 -0.110 1.469 2.072
87 HE ARG 10 HE ARG 10 2.134 -0.140 2.225
88 1HH1 ARG 10 1HH1 ARG 10 -0.322 1.045 4.404
89 2HH1 ARG 10 2HH1 ARG 10 -0.251 -0.343 5.438
90 1HH2 ARG 10 1HH2 ARG 10 2.228 -1.966 3.584
91 2HH2 ARG 10 2HH2 ARG 10 1.196 -2.053 4.972
92 H LEU 11 H LEU 11 3.176 -1.003 -2.017
93 HA LEU 11 HA LEU 11 3.776 -2.475 0.340
94 1HB LEU 11 2HB LEU 11 3.090 -3.283 -2.162
95 2HB LEU 11 1HB LEU 11 4.837 -3.365 -2.285
96 HG LEU 11 HG LEU 11 3.739 -4.663 0.112
97 1HD1 LEU 11 1HD1 LEU 11 2.052 -5.084 -1.787
98 2HD1 LEU 11 2HD1 LEU 11 2.681 -6.469 -0.895
99 3HD1 LEU 11 3HD1 LEU 11 3.323 -6.083 -2.492
100 1HD2 LEU 11 1HD2 LEU 11 6.126 -4.670 -0.935
101 2HD2 LEU 11 2HD2 LEU 11 5.460 -5.930 -1.973
102 3HD2 LEU 11 3HD2 LEU 11 5.473 -6.145 -0.223
103 H VAL 12 H VAL 12 5.273 -0.718 -2.267
104 HA VAL 12 HA VAL 12 7.950 -1.046 -1.314
105 HB VAL 12 HB VAL 12 6.807 1.139 -3.054
106 1HG1 VAL 12 1HG1 VAL 12 8.905 1.817 -2.039
107 2HG1 VAL 12 2HG1 VAL 12 9.136 1.517 -3.762
108 3HG1 VAL 12 3HG1 VAL 12 9.673 0.324 -2.579
109 1HG2 VAL 12 1HG2 VAL 12 6.895 -1.464 -3.726
110 2HG2 VAL 12 2HG2 VAL 12 8.504 -0.959 -4.241
111 3HG2 VAL 12 3HG2 VAL 12 7.076 -0.150 -4.888
112 H LEU 13 H LEU 13 5.374 1.258 -0.972
113 HA LEU 13 HA LEU 13 6.868 2.741 0.982
114 1HB LEU 13 2HB LEU 13 3.981 3.245 0.715
115 2HB LEU 13 1HB LEU 13 5.315 4.357 0.975
116 HG LEU 13 HG LEU 13 5.232 3.060 -1.681
117 1HD1 LEU 13 1HD1 LEU 13 3.579 5.243 -2.038
118 2HD1 LEU 13 2HD1 LEU 13 2.929 4.452 -0.602
119 3HD1 LEU 13 3HD1 LEU 13 3.103 3.546 -2.106
120 1HD2 LEU 13 1HD2 LEU 13 6.142 5.085 -2.398
121 2HD2 LEU 13 2HD2 LEU 13 6.846 4.845 -0.799
122 3HD2 LEU 13 3HD2 LEU 13 5.504 5.968 -1.011
123 H ARG 14 H ARG 14 5.489 -0.166 0.975
124 HA ARG 14 HA ARG 14 3.967 -0.124 3.314
125 1HB ARG 14 2HB ARG 14 3.636 -2.100 2.162
126 2HB ARG 14 1HB ARG 14 5.333 -2.277 1.772
127 1HG ARG 14 2HG ARG 14 5.397 -2.586 4.462
128 2HG ARG 14 1HG ARG 14 3.815 -3.260 4.068
129 1HD ARG 14 2HD ARG 14 5.350 -5.056 3.937
130 2HD ARG 14 1HD ARG 14 4.965 -4.605 2.276
131 HE ARG 14 HE ARG 14 7.322 -3.332 3.334
132 1HH1 ARG 14 1HH1 ARG 14 6.063 -6.133 1.677
133 2HH1 ARG 14 2HH1 ARG 14 7.568 -6.513 0.911
134 1HH2 ARG 14 1HH2 ARG 14 9.305 -3.831 2.324
135 2HH2 ARG 14 2HH2 ARG 14 9.408 -5.209 1.281
136 H CYS 15 H CYS 15 7.238 -0.563 2.365
137 HA CYS 15 HA CYS 15 8.354 -0.720 5.050
138 1HB CYS 15 2HB CYS 15 9.172 -1.433 2.410
139 2HB CYS 15 1HB CYS 15 10.337 -0.289 3.048
140 HG CYS 15 HG CYS 15 11.315 -2.158 4.275
141 H SER 16 H SER 16 7.487 1.628 2.739
142 HA SER 16 HA SER 16 9.087 3.655 2.549
143 1HB SER 16 2HB SER 16 6.967 4.270 1.914
144 2HB SER 16 1HB SER 16 6.239 3.708 3.415
145 HG SER 16 HG SER 16 6.538 5.611 4.256
Start of MODEL 5
1 1H GLY 1 1HT GLY 1 -11.878 1.376 -3.087
2 2H GLY 1 2HT GLY 1 -11.963 1.260 -1.403
3 3H GLY 1 3HT GLY 1 -12.145 -0.126 -2.354
4 1HA GLY 1 1HA GLY 1 -9.948 -0.386 -2.703
5 2HA GLY 1 2HA GLY 1 -9.671 1.348 -2.734
6 H ARG 2 H ARG 2 -8.507 2.097 -1.106
7 HA ARG 2 HA ARG 2 -7.523 2.318 0.933
8 1HB ARG 2 2HB ARG 2 -10.034 0.888 1.814
9 2HB ARG 2 1HB ARG 2 -8.856 1.572 2.925
10 1HG ARG 2 2HG ARG 2 -10.489 3.207 2.795
11 2HG ARG 2 1HG ARG 2 -9.255 3.776 1.669
12 1HD ARG 2 2HD ARG 2 -11.326 2.017 0.527
13 2HD ARG 2 1HD ARG 2 -11.879 3.600 1.070
14 HE ARG 2 HE ARG 2 -9.520 3.690 -0.573
15 1HH1 ARG 2 1HH1 ARG 2 -13.011 3.653 -0.569
16 2HH1 ARG 2 2HH1 ARG 2 -13.144 4.407 -2.122
17 1HH2 ARG 2 1HH2 ARG 2 -9.695 4.679 -2.615
18 2HH2 ARG 2 2HH2 ARG 2 -11.262 4.989 -3.283
19 H MET 3 H MET 3 -5.687 1.131 0.773
20 HA MET 3 HA MET 3 -4.205 -0.553 1.143
21 1HB MET 3 2HB MET 3 -5.371 -0.461 3.403
22 2HB MET 3 1HB MET 3 -6.321 -1.839 2.866
23 1HG MET 3 2HG MET 3 -4.474 -2.572 4.231
24 2HG MET 3 1HG MET 3 -4.268 -3.134 2.574
25 1HE MET 3 1HE MET 3 -2.034 0.488 4.320
26 2HE MET 3 2HE MET 3 -2.682 -0.736 5.413
27 3HE MET 3 3HE MET 3 -3.772 0.195 4.385
28 H LEU 4 H LEU 4 -5.156 -0.840 -1.218
29 HA LEU 4 HA LEU 4 -5.179 -3.613 -1.711
30 1HB LEU 4 2HB LEU 4 -7.692 -2.574 -1.182
31 2HB LEU 4 1HB LEU 4 -7.617 -2.680 -2.930
32 HG LEU 4 HG LEU 4 -8.611 -4.690 -2.090
33 1HD1 LEU 4 1HD1 LEU 4 -5.882 -4.848 -3.249
34 2HD1 LEU 4 2HD1 LEU 4 -7.432 -5.355 -3.921
35 3HD1 LEU 4 3HD1 LEU 4 -6.637 -6.342 -2.695
36 1HD2 LEU 4 1HD2 LEU 4 -7.593 -4.466 0.198
37 2HD2 LEU 4 2HD2 LEU 4 -6.126 -5.184 -0.467
38 3HD2 LEU 4 3HD2 LEU 4 -7.631 -6.103 -0.457
39 HA PRO 5 HA PRO 5 -5.305 -1.275 -5.827
40 1HB PRO 5 2HB PRO 5 -6.236 1.435 -5.269
41 2HB PRO 5 1HB PRO 5 -7.000 0.189 -6.265
42 1HG PRO 5 2HG PRO 5 -8.119 0.957 -3.941
43 2HG PRO 5 1HG PRO 5 -8.143 -0.746 -4.451
44 1HD PRO 5 2HD PRO 5 -6.168 0.594 -2.628
45 2HD PRO 5 1HD PRO 5 -7.193 -0.830 -2.301
46 H GLN 6 H GLN 6 -4.119 0.093 -2.963
47 HA GLN 6 HA GLN 6 -1.867 1.319 -4.398
48 1HB GLN 6 2HB GLN 6 -3.426 2.957 -3.239
49 2HB GLN 6 1HB GLN 6 -2.904 2.246 -1.719
50 1HG GLN 6 2HG GLN 6 -0.526 2.805 -2.501
51 2HG GLN 6 1HG GLN 6 -1.314 3.848 -3.683
52 1HE2 GLN 6 1HE2 GLN 6 -1.629 3.108 -0.222
53 2HE2 GLN 6 2HE2 GLN 6 -1.728 4.753 0.294
54 H LEU 7 H LEU 7 -2.799 -1.223 -2.505
55 HA LEU 7 HA LEU 7 -0.868 -1.346 -0.490
56 1HB LEU 7 2HB LEU 7 -2.782 -2.823 -0.519
57 2HB LEU 7 1HB LEU 7 -2.231 -3.559 -2.012
58 HG LEU 7 HG LEU 7 -0.184 -3.783 0.003
59 1HD1 LEU 7 1HD1 LEU 7 -2.035 -3.644 1.590
60 2HD1 LEU 7 2HD1 LEU 7 -1.338 -5.264 1.552
61 3HD1 LEU 7 3HD1 LEU 7 -2.868 -4.942 0.735
62 1HD2 LEU 7 1HD2 LEU 7 0.019 -5.881 -0.842
63 2HD2 LEU 7 2HD2 LEU 7 -0.879 -5.147 -2.170
64 3HD2 LEU 7 3HD2 LEU 7 -1.724 -6.122 -0.967
65 H VAL 8 H VAL 8 -0.721 -2.155 -3.865
66 HA VAL 8 HA VAL 8 1.738 -3.559 -3.815
67 HB VAL 8 HB VAL 8 0.558 -2.031 -6.130
68 1HG1 VAL 8 1HG1 VAL 8 2.078 -3.015 -7.479
69 2HG1 VAL 8 2HG1 VAL 8 2.089 -4.515 -6.551
70 3HG1 VAL 8 3HG1 VAL 8 3.016 -3.124 -5.990
71 1HG2 VAL 8 1HG2 VAL 8 -0.099 -4.596 -6.627
72 2HG2 VAL 8 2HG2 VAL 8 -1.173 -3.448 -5.828
73 3HG2 VAL 8 3HG2 VAL 8 -0.218 -4.579 -4.867
74 H CYS 9 H CYS 9 1.038 -0.385 -5.165
75 HA CYS 9 HA CYS 9 3.712 0.462 -5.246
76 1HB CYS 9 2HB CYS 9 1.286 1.532 -6.063
77 2HB CYS 9 1HB CYS 9 1.792 2.632 -4.785
78 HG CYS 9 HG CYS 9 3.242 2.240 -7.483
79 H ARG 10 H ARG 10 1.318 0.411 -2.699
80 HA ARG 10 HA ARG 10 3.115 1.940 -1.011
81 1HB ARG 10 2HB ARG 10 0.637 2.268 -0.762
82 2HB ARG 10 1HB ARG 10 0.601 0.676 0.007
83 1HG ARG 10 2HG ARG 10 2.752 1.930 1.227
84 2HG ARG 10 1HG ARG 10 1.540 3.217 1.058
85 1HD ARG 10 2HD ARG 10 0.838 2.349 3.045
86 2HD ARG 10 1HD ARG 10 -0.079 1.311 1.954
87 HE ARG 10 HE ARG 10 2.212 -0.064 2.295
88 1HH1 ARG 10 1HH1 ARG 10 -0.027 1.386 4.545
89 2HH1 ARG 10 2HH1 ARG 10 0.283 0.228 5.795
90 1HH2 ARG 10 1HH2 ARG 10 2.618 -1.593 3.940
91 2HH2 ARG 10 2HH2 ARG 10 1.782 -1.463 5.452
92 H LEU 11 H LEU 11 3.182 -1.020 -2.046
93 HA LEU 11 HA LEU 11 3.790 -2.461 0.323
94 1HB LEU 11 2HB LEU 11 3.109 -3.337 -2.132
95 2HB LEU 11 1HB LEU 11 4.851 -3.318 -2.327
96 HG LEU 11 HG LEU 11 3.925 -5.535 -1.672
97 1HD1 LEU 11 1HD1 LEU 11 6.224 -5.160 -1.241
98 2HD1 LEU 11 2HD1 LEU 11 5.550 -5.895 0.213
99 3HD1 LEU 11 3HD1 LEU 11 5.868 -4.162 0.168
100 1HD2 LEU 11 1HD2 LEU 11 2.215 -4.376 -0.101
101 2HD2 LEU 11 2HD2 LEU 11 3.522 -4.441 1.081
102 3HD2 LEU 11 3HD2 LEU 11 2.906 -5.930 0.366
103 H VAL 12 H VAL 12 5.274 -0.689 -2.279
104 HA VAL 12 HA VAL 12 7.959 -0.977 -1.342
105 HB VAL 12 HB VAL 12 6.772 1.225 -3.029
106 1HG1 VAL 12 1HG1 VAL 12 8.814 2.034 -2.181
107 2HG1 VAL 12 2HG1 VAL 12 9.180 1.455 -3.805
108 3HG1 VAL 12 3HG1 VAL 12 9.614 0.478 -2.403
109 1HG2 VAL 12 1HG2 VAL 12 6.629 -1.177 -3.898
110 2HG2 VAL 12 2HG2 VAL 12 8.382 -1.086 -4.064
111 3HG2 VAL 12 3HG2 VAL 12 7.352 0.033 -4.958
112 H LEU 13 H LEU 13 5.351 1.288 -0.946
113 HA LEU 13 HA LEU 13 6.847 2.746 1.027
114 1HB LEU 13 2HB LEU 13 3.974 3.285 0.836
115 2HB LEU 13 1HB LEU 13 5.336 4.381 1.001
116 HG LEU 13 HG LEU 13 4.907 2.993 -1.610
117 1HD1 LEU 13 1HD1 LEU 13 3.170 5.071 -0.415
118 2HD1 LEU 13 2HD1 LEU 13 2.789 3.808 -1.585
119 3HD1 LEU 13 3HD1 LEU 13 3.630 5.268 -2.105
120 1HD2 LEU 13 1HD2 LEU 13 5.949 4.993 -2.481
121 2HD2 LEU 13 2HD2 LEU 13 6.938 4.321 -1.185
122 3HD2 LEU 13 3HD2 LEU 13 5.927 5.733 -0.880
123 H ARG 14 H ARG 14 5.478 -0.161 0.979
124 HA ARG 14 HA ARG 14 3.949 -0.164 3.307
125 1HB ARG 14 2HB ARG 14 3.641 -2.145 2.164
126 2HB ARG 14 1HB ARG 14 5.333 -2.282 1.739
127 1HG ARG 14 2HG ARG 14 5.382 -2.597 4.463
128 2HG ARG 14 1HG ARG 14 3.876 -3.388 3.995
129 1HD ARG 14 2HD ARG 14 5.667 -5.000 3.946
130 2HD ARG 14 1HD ARG 14 5.123 -4.679 2.300
131 HE ARG 14 HE ARG 14 7.190 -2.963 2.617
132 1HH1 ARG 14 1HH1 ARG 14 6.841 -6.401 3.101
133 2HH1 ARG 14 2HH1 ARG 14 8.491 -6.749 2.711
134 1HH2 ARG 14 1HH2 ARG 14 9.357 -3.420 2.095
135 2HH2 ARG 14 2HH2 ARG 14 9.923 -5.055 2.144
136 H CYS 15 H CYS 15 7.231 -0.552 2.377
137 HA CYS 15 HA CYS 15 8.328 -0.715 5.071
138 1HB CYS 15 2HB CYS 15 9.156 -1.451 2.445
139 2HB CYS 15 1HB CYS 15 10.319 -0.297 3.066
140 HG CYS 15 HG CYS 15 11.271 -2.068 4.453
141 H SER 16 H SER 16 7.483 1.632 2.748
142 HA SER 16 HA SER 16 9.103 3.646 2.565
143 1HB SER 16 2HB SER 16 7.016 4.307 1.903
144 2HB SER 16 1HB SER 16 6.243 3.703 3.365
145 HG SER 16 HG SER 16 7.479 6.149 2.876
Start of MODEL 6
1 1H GLY 1 1HT GLY 1 -11.758 0.931 -5.902
2 2H GLY 1 2HT GLY 1 -12.479 -0.465 -5.274
3 3H GLY 1 3HT GLY 1 -11.983 -0.423 -6.892
4 1HA GLY 1 1HA GLY 1 -10.301 -1.632 -5.898
5 2HA GLY 1 2HA GLY 1 -9.652 -0.002 -5.982
6 H ARG 2 H ARG 2 -8.803 0.787 -4.179
7 HA ARG 2 HA ARG 2 -8.271 1.091 -1.990
8 1HB ARG 2 2HB ARG 2 -11.137 0.346 -1.902
9 2HB ARG 2 1HB ARG 2 -10.253 0.212 -0.387
10 1HG ARG 2 2HG ARG 2 -11.235 2.364 -0.439
11 2HG ARG 2 1HG ARG 2 -9.506 2.578 -0.717
12 1HD ARG 2 2HD ARG 2 -11.232 2.239 -3.102
13 2HD ARG 2 1HD ARG 2 -11.372 3.759 -2.218
14 HE ARG 2 HE ARG 2 -8.660 3.005 -2.807
15 1HH1 ARG 2 1HH1 ARG 2 -11.503 4.628 -4.020
16 2HH1 ARG 2 2HH1 ARG 2 -10.614 5.631 -5.117
17 1HH2 ARG 2 1HH2 ARG 2 -7.492 4.325 -4.249
18 2HH2 ARG 2 2HH2 ARG 2 -8.339 5.460 -5.247
19 H MET 3 H MET 3 -6.933 -0.019 -0.718
20 HA MET 3 HA MET 3 -5.793 -1.748 0.218
21 1HB MET 3 2HB MET 3 -8.025 -1.979 1.381
22 2HB MET 3 1HB MET 3 -8.428 -3.222 0.205
23 1HG MET 3 2HG MET 3 -7.245 -4.766 1.278
24 2HG MET 3 1HG MET 3 -5.858 -3.694 1.464
25 1HE MET 3 1HE MET 3 -8.537 -5.132 4.692
26 2HE MET 3 2HE MET 3 -7.701 -5.946 3.369
27 3HE MET 3 3HE MET 3 -9.179 -5.036 3.051
28 H LEU 4 H LEU 4 -5.345 -1.649 -2.387
29 HA LEU 4 HA LEU 4 -4.482 -4.164 -3.089
30 1HB LEU 4 2HB LEU 4 -7.148 -4.182 -3.426
31 2HB LEU 4 1HB LEU 4 -6.635 -3.619 -5.005
32 HG LEU 4 HG LEU 4 -6.921 -6.015 -5.056
33 1HD1 LEU 4 1HD1 LEU 4 -5.182 -5.218 -6.472
34 2HD1 LEU 4 2HD1 LEU 4 -4.599 -6.695 -5.704
35 3HD1 LEU 4 3HD1 LEU 4 -4.047 -5.123 -5.125
36 1HD2 LEU 4 1HD2 LEU 4 -5.365 -5.876 -2.547
37 2HD2 LEU 4 2HD2 LEU 4 -5.033 -7.244 -3.608
38 3HD2 LEU 4 3HD2 LEU 4 -6.671 -6.965 -3.017
39 HA PRO 5 HA PRO 5 -3.974 -1.235 -6.814
40 1HB PRO 5 2HB PRO 5 -5.587 1.130 -6.169
41 2HB PRO 5 1HB PRO 5 -5.694 0.059 -7.572
42 1HG PRO 5 2HG PRO 5 -7.639 0.037 -5.736
43 2HG PRO 5 1HG PRO 5 -7.062 -1.486 -6.449
44 1HD PRO 5 2HD PRO 5 -6.186 -0.228 -3.870
45 2HD PRO 5 1HD PRO 5 -6.875 -1.852 -4.136
46 H GLN 6 H GLN 6 -4.084 -0.095 -3.576
47 HA GLN 6 HA GLN 6 -1.823 1.721 -4.075
48 1HB GLN 6 2HB GLN 6 -3.974 2.685 -3.089
49 2HB GLN 6 1HB GLN 6 -3.610 1.754 -1.643
50 1HG GLN 6 2HG GLN 6 -1.949 3.132 -1.005
51 2HG GLN 6 1HG GLN 6 -1.433 3.455 -2.659
52 1HE2 GLN 6 1HE2 GLN 6 -3.204 4.570 0.010
53 2HE2 GLN 6 2HE2 GLN 6 -3.857 5.997 -0.712
54 H LEU 7 H LEU 7 -2.702 -1.268 -2.869
55 HA LEU 7 HA LEU 7 -0.985 -1.457 -0.615
56 1HB LEU 7 2HB LEU 7 -3.041 -2.912 -1.389
57 2HB LEU 7 1HB LEU 7 -1.794 -3.848 -2.190
58 HG LEU 7 HG LEU 7 -0.690 -3.779 0.221
59 1HD1 LEU 7 1HD1 LEU 7 -2.852 -4.209 1.729
60 2HD1 LEU 7 2HD1 LEU 7 -3.509 -2.994 0.634
61 3HD1 LEU 7 3HD1 LEU 7 -2.076 -2.631 1.594
62 1HD2 LEU 7 1HD2 LEU 7 -2.314 -5.858 0.657
63 2HD2 LEU 7 2HD2 LEU 7 -1.002 -5.896 -0.522
64 3HD2 LEU 7 3HD2 LEU 7 -2.656 -5.585 -1.052
65 H VAL 8 H VAL 8 -0.677 -2.125 -4.009
66 HA VAL 8 HA VAL 8 1.795 -3.508 -3.881
67 HB VAL 8 HB VAL 8 0.703 -1.975 -6.233
68 1HG1 VAL 8 1HG1 VAL 8 2.025 -3.529 -7.566
69 2HG1 VAL 8 2HG1 VAL 8 2.590 -4.325 -6.097
70 3HG1 VAL 8 3HG1 VAL 8 3.050 -2.656 -6.427
71 1HG2 VAL 8 1HG2 VAL 8 0.011 -4.480 -6.810
72 2HG2 VAL 8 2HG2 VAL 8 -1.053 -3.389 -5.921
73 3HG2 VAL 8 3HG2 VAL 8 -0.083 -4.579 -5.051
74 H CYS 9 H CYS 9 1.013 -0.277 -5.039
75 HA CYS 9 HA CYS 9 3.690 0.602 -5.105
76 1HB CYS 9 2HB CYS 9 1.820 1.741 -6.317
77 2HB CYS 9 1HB CYS 9 1.203 2.305 -4.767
78 HG CYS 9 HG CYS 9 3.308 3.817 -4.541
79 H ARG 10 H ARG 10 1.302 0.372 -2.560
80 HA ARG 10 HA ARG 10 3.106 1.861 -0.829
81 1HB ARG 10 2HB ARG 10 0.632 2.222 -0.574
82 2HB ARG 10 1HB ARG 10 0.581 0.623 0.181
83 1HG ARG 10 2HG ARG 10 2.768 1.852 1.380
84 2HG ARG 10 1HG ARG 10 1.549 3.140 1.253
85 1HD ARG 10 2HD ARG 10 0.936 2.216 3.262
86 2HD ARG 10 1HD ARG 10 -0.069 1.272 2.162
87 HE ARG 10 HE ARG 10 2.247 -0.159 2.385
88 1HH1 ARG 10 1HH1 ARG 10 -0.124 1.061 4.638
89 2HH1 ARG 10 2HH1 ARG 10 0.115 -0.220 5.777
90 1HH2 ARG 10 1HH2 ARG 10 2.561 -1.845 3.882
91 2HH2 ARG 10 2HH2 ARG 10 1.641 -1.870 5.348
92 H LEU 11 H LEU 11 3.158 -1.064 -1.935
93 HA LEU 11 HA LEU 11 3.768 -2.519 0.441
94 1HB LEU 11 2HB LEU 11 3.468 -3.155 -2.390
95 2HB LEU 11 1HB LEU 11 4.924 -3.865 -1.725
96 HG LEU 11 HG LEU 11 2.130 -4.286 -0.661
97 1HD1 LEU 11 1HD1 LEU 11 2.875 -6.700 -1.458
98 2HD1 LEU 11 2HD1 LEU 11 3.825 -5.753 -2.602
99 3HD1 LEU 11 3HD1 LEU 11 2.073 -5.563 -2.541
100 1HD2 LEU 11 1HD2 LEU 11 4.836 -5.161 0.247
101 2HD2 LEU 11 2HD2 LEU 11 3.443 -6.214 0.502
102 3HD2 LEU 11 3HD2 LEU 11 3.461 -4.591 1.194
103 H VAL 12 H VAL 12 5.216 -0.784 -2.205
104 HA VAL 12 HA VAL 12 7.908 -1.121 -1.280
105 HB VAL 12 HB VAL 12 6.780 1.049 -3.046
106 1HG1 VAL 12 1HG1 VAL 12 9.156 1.143 -1.819
107 2HG1 VAL 12 2HG1 VAL 12 8.880 1.814 -3.426
108 3HG1 VAL 12 3HG1 VAL 12 9.610 0.218 -3.251
109 1HG2 VAL 12 1HG2 VAL 12 7.617 -1.731 -3.608
110 2HG2 VAL 12 2HG2 VAL 12 8.113 -0.500 -4.768
111 3HG2 VAL 12 3HG2 VAL 12 6.403 -0.729 -4.402
112 H LEU 13 H LEU 13 5.346 1.215 -1.010
113 HA LEU 13 HA LEU 13 6.832 2.752 0.901
114 1HB LEU 13 2HB LEU 13 3.914 3.143 0.604
115 2HB LEU 13 1HB LEU 13 5.188 4.306 0.945
116 HG LEU 13 HG LEU 13 5.313 3.081 -1.734
117 1HD1 LEU 13 1HD1 LEU 13 3.385 5.258 -1.706
118 2HD1 LEU 13 2HD1 LEU 13 2.794 3.811 -0.892
119 3HD1 LEU 13 3HD1 LEU 13 3.343 3.718 -2.565
120 1HD2 LEU 13 1HD2 LEU 13 6.783 4.905 -0.863
121 2HD2 LEU 13 2HD2 LEU 13 5.368 5.957 -0.849
122 3HD2 LEU 13 3HD2 LEU 13 5.952 5.287 -2.371
123 H ARG 14 H ARG 14 5.504 -0.193 0.987
124 HA ARG 14 HA ARG 14 4.040 -0.119 3.363
125 1HB ARG 14 2HB ARG 14 3.727 -2.133 2.255
126 2HB ARG 14 1HB ARG 14 5.425 -2.295 1.862
127 1HG ARG 14 2HG ARG 14 5.582 -2.558 4.517
128 2HG ARG 14 1HG ARG 14 3.943 -3.156 4.257
129 1HD ARG 14 2HD ARG 14 5.169 -5.086 4.008
130 2HD ARG 14 1HD ARG 14 5.054 -4.526 2.341
131 HE ARG 14 HE ARG 14 7.400 -3.593 3.711
132 1HH1 ARG 14 1HH1 ARG 14 6.018 -6.211 1.861
133 2HH1 ARG 14 2HH1 ARG 14 7.548 -6.778 1.284
134 1HH2 ARG 14 1HH2 ARG 14 9.415 -4.339 2.950
135 2HH2 ARG 14 2HH2 ARG 14 9.477 -5.715 1.902
136 H CYS 15 H CYS 15 7.296 -0.587 2.351
137 HA CYS 15 HA CYS 15 8.491 -0.672 4.996
138 1HB CYS 15 2HB CYS 15 9.263 -1.320 2.319
139 2HB CYS 15 1HB CYS 15 10.409 -0.158 2.960
140 HG CYS 15 HG CYS 15 11.248 -1.839 4.607
141 H SER 16 H SER 16 7.472 1.664 2.746
142 HA SER 16 HA SER 16 8.985 3.750 2.509
143 1HB SER 16 2HB SER 16 6.731 4.148 2.012
144 2HB SER 16 1HB SER 16 6.213 3.792 3.655
145 HG SER 16 HG SER 16 6.435 5.823 4.063
Start of MODEL 7
1 1H GLY 1 1HT GLY 1 -8.777 -0.040 -2.691
2 2H GLY 1 2HT GLY 1 -9.632 0.282 -4.114
3 3H GLY 1 3HT GLY 1 -10.435 0.286 -2.626
4 1HA GLY 1 1HA GLY 1 -9.184 2.426 -3.934
5 2HA GLY 1 2HA GLY 1 -10.067 2.440 -2.416
6 H ARG 2 H ARG 2 -8.886 1.992 -0.448
7 HA ARG 2 HA ARG 2 -6.032 2.681 -0.695
8 1HB ARG 2 2HB ARG 2 -8.165 3.641 1.122
9 2HB ARG 2 1HB ARG 2 -6.588 3.372 1.854
10 1HG ARG 2 2HG ARG 2 -5.986 5.376 1.142
11 2HG ARG 2 1HG ARG 2 -6.079 4.768 -0.511
12 1HD ARG 2 2HD ARG 2 -8.235 6.151 1.071
13 2HD ARG 2 1HD ARG 2 -7.425 6.733 -0.383
14 HE ARG 2 HE ARG 2 -8.565 4.438 -1.221
15 1HH1 ARG 2 1HH1 ARG 2 -9.818 7.194 0.520
16 2HH1 ARG 2 2HH1 ARG 2 -11.414 7.039 -0.130
17 1HH2 ARG 2 1HH2 ARG 2 -10.672 4.236 -2.077
18 2HH2 ARG 2 2HH2 ARG 2 -11.900 5.359 -1.600
19 H MET 3 H MET 3 -7.024 0.045 -0.837
20 HA MET 3 HA MET 3 -5.389 -1.205 1.137
21 1HB MET 3 2HB MET 3 -7.157 -2.577 2.177
22 2HB MET 3 1HB MET 3 -7.363 -0.866 2.527
23 1HG MET 3 2HG MET 3 -9.341 -0.772 1.504
24 2HG MET 3 1HG MET 3 -8.790 -1.745 0.142
25 1HE MET 3 1HE MET 3 -12.110 -2.880 2.053
26 2HE MET 3 2HE MET 3 -11.319 -1.306 1.960
27 3HE MET 3 3HE MET 3 -11.277 -2.228 3.463
28 H LEU 4 H LEU 4 -5.401 -1.118 -1.646
29 HA LEU 4 HA LEU 4 -5.108 -3.781 -2.333
30 1HB LEU 4 2HB LEU 4 -7.803 -2.868 -2.516
31 2HB LEU 4 1HB LEU 4 -7.204 -3.243 -4.120
32 HG LEU 4 HG LEU 4 -6.458 -5.377 -2.380
33 1HD1 LEU 4 1HD1 LEU 4 -8.647 -4.202 -1.293
34 2HD1 LEU 4 2HD1 LEU 4 -8.265 -5.920 -1.167
35 3HD1 LEU 4 3HD1 LEU 4 -9.391 -5.355 -2.400
36 1HD2 LEU 4 1HD2 LEU 4 -8.027 -4.946 -4.846
37 2HD2 LEU 4 2HD2 LEU 4 -8.334 -6.440 -3.963
38 3HD2 LEU 4 3HD2 LEU 4 -6.704 -6.066 -4.520
39 HA PRO 5 HA PRO 5 -4.654 -1.088 -6.226
40 1HB PRO 5 2HB PRO 5 -5.732 1.543 -5.504
41 2HB PRO 5 1HB PRO 5 -6.230 0.456 -6.808
42 1HG PRO 5 2HG PRO 5 -7.848 0.847 -4.714
43 2HG PRO 5 1HG PRO 5 -7.651 -0.780 -5.406
44 1HD PRO 5 2HD PRO 5 -6.190 0.400 -3.064
45 2HD PRO 5 1HD PRO 5 -7.177 -1.087 -3.124
46 H GLN 6 H GLN 6 -4.071 0.142 -3.075
47 HA GLN 6 HA GLN 6 -1.650 1.535 -4.000
48 1HB GLN 6 2HB GLN 6 -3.313 1.946 -1.510
49 2HB GLN 6 1HB GLN 6 -1.744 2.697 -1.769
50 1HG GLN 6 2HG GLN 6 -2.711 3.694 -3.876
51 2HG GLN 6 1HG GLN 6 -4.284 3.143 -3.304
52 1HE2 GLN 6 1HE2 GLN 6 -3.924 3.617 -0.569
53 2HE2 GLN 6 2HE2 GLN 6 -3.864 5.325 -0.314
54 H LEU 7 H LEU 7 -2.876 -1.164 -2.332
55 HA LEU 7 HA LEU 7 -0.965 -1.645 -0.378
56 1HB LEU 7 2HB LEU 7 -3.084 -2.902 -0.702
57 2HB LEU 7 1HB LEU 7 -2.358 -3.697 -2.085
58 HG LEU 7 HG LEU 7 -0.516 -4.222 -0.133
59 1HD1 LEU 7 1HD1 LEU 7 -2.254 -5.187 1.644
60 2HD1 LEU 7 2HD1 LEU 7 -3.141 -3.748 1.142
61 3HD1 LEU 7 3HD1 LEU 7 -1.513 -3.595 1.800
62 1HD2 LEU 7 1HD2 LEU 7 -2.819 -6.080 -0.390
63 2HD2 LEU 7 2HD2 LEU 7 -1.087 -6.401 -0.479
64 3HD2 LEU 7 3HD2 LEU 7 -1.919 -5.666 -1.850
65 H VAL 8 H VAL 8 -0.705 -1.807 -3.800
66 HA VAL 8 HA VAL 8 1.643 -3.499 -3.783
67 HB VAL 8 HB VAL 8 0.475 -1.966 -6.101
68 1HG1 VAL 8 1HG1 VAL 8 2.309 -4.360 -6.047
69 2HG1 VAL 8 2HG1 VAL 8 2.805 -2.702 -6.386
70 3HG1 VAL 8 3HG1 VAL 8 1.703 -3.535 -7.483
71 1HG2 VAL 8 1HG2 VAL 8 -0.339 -4.491 -4.810
72 2HG2 VAL 8 2HG2 VAL 8 -0.247 -4.512 -6.571
73 3HG2 VAL 8 3HG2 VAL 8 -1.284 -3.340 -5.756
74 H CYS 9 H CYS 9 1.085 -0.353 -5.276
75 HA CYS 9 HA CYS 9 3.747 0.423 -5.377
76 1HB CYS 9 2HB CYS 9 1.788 1.590 -6.495
77 2HB CYS 9 1HB CYS 9 1.436 2.328 -4.936
78 HG CYS 9 HG CYS 9 4.129 3.171 -5.347
79 H ARG 10 H ARG 10 1.371 0.753 -2.758
80 HA ARG 10 HA ARG 10 3.154 2.262 -1.159
81 1HB ARG 10 2HB ARG 10 0.772 2.168 -0.544
82 2HB ARG 10 1HB ARG 10 0.966 0.460 -0.142
83 1HG ARG 10 2HG ARG 10 3.033 1.743 1.243
84 2HG ARG 10 1HG ARG 10 1.619 2.801 1.426
85 1HD ARG 10 2HD ARG 10 1.618 -0.163 1.989
86 2HD ARG 10 1HD ARG 10 1.802 1.092 3.215
87 HE ARG 10 HE ARG 10 -0.568 1.307 1.572
88 1HH1 ARG 10 1HH1 ARG 10 0.816 0.047 4.521
89 2HH1 ARG 10 2HH1 ARG 10 -0.711 -0.081 5.327
90 1HH2 ARG 10 1HH2 ARG 10 -2.573 1.141 2.634
91 2HH2 ARG 10 2HH2 ARG 10 -2.634 0.542 4.258
92 H LEU 11 H LEU 11 2.541 -1.180 -1.474
93 HA LEU 11 HA LEU 11 3.948 -2.405 0.386
94 1HB LEU 11 2HB LEU 11 3.087 -3.210 -2.036
95 2HB LEU 11 1HB LEU 11 4.814 -3.169 -2.339
96 HG LEU 11 HG LEU 11 4.226 -5.397 -1.714
97 1HD1 LEU 11 1HD1 LEU 11 6.336 -4.811 -0.851
98 2HD1 LEU 11 2HD1 LEU 11 5.493 -5.628 0.465
99 3HD1 LEU 11 3HD1 LEU 11 5.626 -3.869 0.461
100 1HD2 LEU 11 1HD2 LEU 11 2.631 -4.019 0.368
101 2HD2 LEU 11 2HD2 LEU 11 3.340 -5.578 0.786
102 3HD2 LEU 11 3HD2 LEU 11 2.251 -5.446 -0.594
103 H VAL 12 H VAL 12 5.183 -0.583 -2.318
104 HA VAL 12 HA VAL 12 7.884 -0.896 -1.692
105 HB VAL 12 HB VAL 12 6.712 1.608 -2.888
106 1HG1 VAL 12 1HG1 VAL 12 9.035 1.205 -4.183
107 2HG1 VAL 12 2HG1 VAL 12 9.420 0.471 -2.627
108 3HG1 VAL 12 3HG1 VAL 12 8.896 2.153 -2.703
109 1HG2 VAL 12 1HG2 VAL 12 5.843 0.211 -4.440
110 2HG2 VAL 12 2HG2 VAL 12 6.949 -1.101 -4.034
111 3HG2 VAL 12 3HG2 VAL 12 7.493 0.225 -5.061
112 H LEU 13 H LEU 13 5.444 1.419 -0.796
113 HA LEU 13 HA LEU 13 7.181 2.472 1.240
114 1HB LEU 13 2HB LEU 13 4.481 3.504 1.305
115 2HB LEU 13 1HB LEU 13 6.031 4.333 1.373
116 HG LEU 13 HG LEU 13 4.936 3.231 -1.213
117 1HD1 LEU 13 1HD1 LEU 13 3.740 5.134 -1.655
118 2HD1 LEU 13 2HD1 LEU 13 4.642 6.105 -0.492
119 3HD1 LEU 13 3HD1 LEU 13 3.438 4.946 0.073
120 1HD2 LEU 13 1HD2 LEU 13 6.415 4.955 -2.169
121 2HD2 LEU 13 2HD2 LEU 13 7.295 3.769 -1.206
122 3HD2 LEU 13 3HD2 LEU 13 6.956 5.368 -0.542
123 H ARG 14 H ARG 14 5.361 -0.199 1.119
124 HA ARG 14 HA ARG 14 3.905 -0.174 3.502
125 1HB ARG 14 2HB ARG 14 3.548 -2.131 2.261
126 2HB ARG 14 1HB ARG 14 5.259 -2.350 1.931
127 1HG ARG 14 2HG ARG 14 4.565 -2.541 4.763
128 2HG ARG 14 1HG ARG 14 3.808 -3.767 3.746
129 1HD ARG 14 2HD ARG 14 5.823 -4.686 3.119
130 2HD ARG 14 1HD ARG 14 6.713 -3.193 3.409
131 HE ARG 14 HE ARG 14 5.645 -4.337 5.807
132 1HH1 ARG 14 1HH1 ARG 14 8.305 -4.457 3.551
133 2HH1 ARG 14 2HH1 ARG 14 9.418 -5.111 4.706
134 1HH2 ARG 14 1HH2 ARG 14 7.109 -5.200 7.326
135 2HH2 ARG 14 2HH2 ARG 14 8.738 -5.536 6.847
136 H CYS 15 H CYS 15 7.142 -0.581 2.486
137 HA CYS 15 HA CYS 15 8.339 -0.840 5.123
138 1HB CYS 15 2HB CYS 15 9.057 -1.545 2.528
139 2HB CYS 15 1HB CYS 15 10.101 -0.198 2.882
140 HG CYS 15 HG CYS 15 11.366 -2.281 3.666
141 H SER 16 H SER 16 8.003 1.382 2.457
142 HA SER 16 HA SER 16 9.367 3.491 3.831
143 1HB SER 16 2HB SER 16 9.132 2.894 1.172
144 2HB SER 16 1HB SER 16 8.036 4.264 1.361
145 HG SER 16 HG SER 16 9.734 5.476 1.415
Start of MODEL 8
1 1H GLY 1 1HT GLY 1 -12.296 2.802 -0.551
2 2H GLY 1 2HT GLY 1 -12.955 1.245 -0.493
3 3H GLY 1 3HT GLY 1 -12.854 2.066 -1.968
4 1HA GLY 1 1HA GLY 1 -11.093 0.242 -1.233
5 2HA GLY 1 2HA GLY 1 -10.691 1.596 -2.278
6 H ARG 2 H ARG 2 -8.984 2.755 -1.702
7 HA ARG 2 HA ARG 2 -7.244 3.573 -0.494
8 1HB ARG 2 2HB ARG 2 -9.638 4.035 1.063
9 2HB ARG 2 1HB ARG 2 -8.247 3.823 2.116
10 1HG ARG 2 2HG ARG 2 -8.585 6.163 1.587
11 2HG ARG 2 1HG ARG 2 -7.059 5.584 0.914
12 1HD ARG 2 2HD ARG 2 -9.490 5.471 -0.795
13 2HD ARG 2 1HD ARG 2 -8.746 7.043 -0.509
14 HE ARG 2 HE ARG 2 -6.672 5.426 -1.242
15 1HH1 ARG 2 1HH1 ARG 2 -9.729 6.308 -2.679
16 2HH1 ARG 2 2HH1 ARG 2 -9.154 6.140 -4.304
17 1HH2 ARG 2 1HH2 ARG 2 -5.916 5.205 -3.378
18 2HH2 ARG 2 2HH2 ARG 2 -6.990 5.512 -4.700
19 H MET 3 H MET 3 -7.463 0.753 -0.709
20 HA MET 3 HA MET 3 -5.440 -0.104 0.978
21 1HB MET 3 2HB MET 3 -6.720 -1.658 2.481
22 2HB MET 3 1HB MET 3 -6.913 0.048 2.855
23 1HG MET 3 2HG MET 3 -9.107 -0.044 2.552
24 2HG MET 3 1HG MET 3 -8.932 -0.860 1.000
25 1HE MET 3 1HE MET 3 -11.262 -2.659 4.010
26 2HE MET 3 2HE MET 3 -11.262 -1.182 3.045
27 3HE MET 3 3HE MET 3 -10.342 -1.254 4.548
28 H LEU 4 H LEU 4 -5.583 -0.505 -1.568
29 HA LEU 4 HA LEU 4 -5.508 -3.267 -1.917
30 1HB LEU 4 2HB LEU 4 -8.093 -2.191 -2.192
31 2HB LEU 4 1HB LEU 4 -7.537 -2.621 -3.798
32 HG LEU 4 HG LEU 4 -6.892 -4.828 -2.201
33 1HD1 LEU 4 1HD1 LEU 4 -8.846 -3.440 -0.828
34 2HD1 LEU 4 2HD1 LEU 4 -8.448 -5.147 -0.642
35 3HD1 LEU 4 3HD1 LEU 4 -9.749 -4.659 -1.728
36 1HD2 LEU 4 1HD2 LEU 4 -8.778 -4.162 -4.373
37 2HD2 LEU 4 2HD2 LEU 4 -9.104 -5.644 -3.473
38 3HD2 LEU 4 3HD2 LEU 4 -7.551 -5.425 -4.279
39 HA PRO 5 HA PRO 5 -4.654 -1.141 -6.071
40 1HB PRO 5 2HB PRO 5 -5.551 1.629 -5.790
41 2HB PRO 5 1HB PRO 5 -6.112 0.395 -6.925
42 1HG PRO 5 2HG PRO 5 -7.720 1.252 -4.954
43 2HG PRO 5 1HG PRO 5 -7.684 -0.464 -5.417
44 1HD PRO 5 2HD PRO 5 -6.158 0.868 -3.204
45 2HD PRO 5 1HD PRO 5 -7.283 -0.513 -3.104
46 H GLN 6 H GLN 6 -4.064 0.212 -3.049
47 HA GLN 6 HA GLN 6 -1.622 1.572 -3.950
48 1HB GLN 6 2HB GLN 6 -1.748 2.944 -2.035
49 2HB GLN 6 1HB GLN 6 -3.399 2.847 -2.632
50 1HG GLN 6 2HG GLN 6 -3.183 0.737 -0.842
51 2HG GLN 6 1HG GLN 6 -2.312 2.066 -0.077
52 1HE2 GLN 6 1HE2 GLN 6 -3.539 3.180 1.245
53 2HE2 GLN 6 2HE2 GLN 6 -5.219 3.528 1.038
54 H LEU 7 H LEU 7 -2.871 -1.137 -2.294
55 HA LEU 7 HA LEU 7 -0.962 -1.702 -0.382
56 1HB LEU 7 2HB LEU 7 -3.091 -2.936 -0.764
57 2HB LEU 7 1HB LEU 7 -2.347 -3.708 -2.150
58 HG LEU 7 HG LEU 7 -0.531 -4.332 -0.252
59 1HD1 LEU 7 1HD1 LEU 7 -2.240 -5.174 1.617
60 2HD1 LEU 7 2HD1 LEU 7 -3.062 -3.690 1.136
61 3HD1 LEU 7 3HD1 LEU 7 -1.398 -3.628 1.718
62 1HD2 LEU 7 1HD2 LEU 7 -2.917 -6.082 -0.331
63 2HD2 LEU 7 2HD2 LEU 7 -1.216 -6.468 -0.592
64 3HD2 LEU 7 3HD2 LEU 7 -2.153 -5.698 -1.874
65 H VAL 8 H VAL 8 -0.695 -1.815 -3.811
66 HA VAL 8 HA VAL 8 1.659 -3.498 -3.797
67 HB VAL 8 HB VAL 8 0.494 -1.963 -6.114
68 1HG1 VAL 8 1HG1 VAL 8 1.675 -4.121 -7.192
69 2HG1 VAL 8 2HG1 VAL 8 2.714 -3.879 -5.788
70 3HG1 VAL 8 3HG1 VAL 8 2.499 -2.579 -6.958
71 1HG2 VAL 8 1HG2 VAL 8 -0.225 -4.508 -6.590
72 2HG2 VAL 8 2HG2 VAL 8 -1.266 -3.341 -5.774
73 3HG2 VAL 8 3HG2 VAL 8 -0.320 -4.491 -4.829
74 H CYS 9 H CYS 9 1.078 -0.344 -5.266
75 HA CYS 9 HA CYS 9 3.737 0.448 -5.368
76 1HB CYS 9 2HB CYS 9 1.123 1.845 -5.479
77 2HB CYS 9 1HB CYS 9 2.505 2.847 -5.046
78 HG CYS 9 HG CYS 9 1.907 2.529 -7.739
79 H ARG 10 H ARG 10 1.369 0.738 -2.741
80 HA ARG 10 HA ARG 10 3.142 2.248 -1.136
81 1HB ARG 10 2HB ARG 10 0.768 2.134 -0.509
82 2HB ARG 10 1HB ARG 10 0.969 0.421 -0.130
83 1HG ARG 10 2HG ARG 10 3.039 1.744 1.250
84 2HG ARG 10 1HG ARG 10 1.580 2.727 1.485
85 1HD ARG 10 2HD ARG 10 1.706 -0.250 1.951
86 2HD ARG 10 1HD ARG 10 1.904 0.962 3.216
87 HE ARG 10 HE ARG 10 -0.532 1.200 1.690
88 1HH1 ARG 10 1HH1 ARG 10 0.996 -0.226 4.486
89 2HH1 ARG 10 2HH1 ARG 10 -0.494 -0.462 5.335
90 1HH2 ARG 10 1HH2 ARG 10 -2.492 0.889 2.804
91 2HH2 ARG 10 2HH2 ARG 10 -2.475 0.168 4.380
92 H LEU 11 H LEU 11 2.540 -1.196 -1.455
93 HA LEU 11 HA LEU 11 3.962 -2.437 0.373
94 1HB LEU 11 2HB LEU 11 3.091 -3.234 -2.034
95 2HB LEU 11 1HB LEU 11 4.805 -3.137 -2.383
96 HG LEU 11 HG LEU 11 4.069 -5.408 -1.732
97 1HD1 LEU 11 1HD1 LEU 11 6.010 -4.016 0.101
98 2HD1 LEU 11 2HD1 LEU 11 6.371 -4.851 -1.409
99 3HD1 LEU 11 3HD1 LEU 11 5.825 -5.767 -0.004
100 1HD2 LEU 11 1HD2 LEU 11 3.841 -4.626 1.107
101 2HD2 LEU 11 2HD2 LEU 11 3.017 -5.900 0.208
102 3HD2 LEU 11 3HD2 LEU 11 2.472 -4.228 0.068
103 H VAL 12 H VAL 12 5.187 -0.587 -2.314
104 HA VAL 12 HA VAL 12 7.889 -0.889 -1.684
105 HB VAL 12 HB VAL 12 6.650 1.568 -2.918
106 1HG1 VAL 12 1HG1 VAL 12 8.964 1.526 -4.101
107 2HG1 VAL 12 2HG1 VAL 12 9.439 0.510 -2.739
108 3HG1 VAL 12 3HG1 VAL 12 8.839 2.144 -2.454
109 1HG2 VAL 12 1HG2 VAL 12 6.341 -0.910 -3.942
110 2HG2 VAL 12 2HG2 VAL 12 7.873 -0.448 -4.682
111 3HG2 VAL 12 3HG2 VAL 12 6.442 0.552 -4.921
112 H LEU 13 H LEU 13 5.445 1.430 -0.799
113 HA LEU 13 HA LEU 13 7.176 2.476 1.244
114 1HB LEU 13 2HB LEU 13 4.491 3.539 1.290
115 2HB LEU 13 1HB LEU 13 6.052 4.349 1.351
116 HG LEU 13 HG LEU 13 4.843 3.264 -1.199
117 1HD1 LEU 13 1HD1 LEU 13 4.514 5.802 -1.609
118 2HD1 LEU 13 2HD1 LEU 13 4.530 5.911 0.152
119 3HD1 LEU 13 3HD1 LEU 13 3.320 4.917 -0.660
120 1HD2 LEU 13 1HD2 LEU 13 6.475 4.843 -2.220
121 2HD2 LEU 13 2HD2 LEU 13 7.221 3.509 -1.339
122 3HD2 LEU 13 3HD2 LEU 13 7.147 5.115 -0.611
123 H ARG 14 H ARG 14 5.339 -0.181 1.126
124 HA ARG 14 HA ARG 14 3.876 -0.120 3.510
125 1HB ARG 14 2HB ARG 14 3.525 -2.054 2.184
126 2HB ARG 14 1HB ARG 14 5.249 -2.353 2.013
127 1HG ARG 14 2HG ARG 14 3.995 -2.503 4.712
128 2HG ARG 14 1HG ARG 14 3.796 -3.841 3.578
129 1HD ARG 14 2HD ARG 14 6.539 -2.991 3.631
130 2HD ARG 14 1HD ARG 14 5.980 -3.321 5.270
131 HE ARG 14 HE ARG 14 6.386 -5.228 3.150
132 1HH1 ARG 14 1HH1 ARG 14 4.754 -4.588 6.168
133 2HH1 ARG 14 2HH1 ARG 14 4.550 -6.263 6.556
134 1HH2 ARG 14 1HH2 ARG 14 6.115 -7.431 3.659
135 2HH2 ARG 14 2HH2 ARG 14 5.321 -7.878 5.131
136 H CYS 15 H CYS 15 7.104 -0.574 2.483
137 HA CYS 15 HA CYS 15 8.304 -0.847 5.119
138 1HB CYS 15 2HB CYS 15 9.002 -1.549 2.503
139 2HB CYS 15 1HB CYS 15 10.096 -0.254 2.902
140 HG CYS 15 HG CYS 15 10.416 -2.011 5.153
141 H SER 16 H SER 16 7.985 1.368 2.446
142 HA SER 16 HA SER 16 9.385 3.468 3.802
143 1HB SER 16 2HB SER 16 9.133 2.854 1.145
144 2HB SER 16 1HB SER 16 8.068 4.248 1.331
145 HG SER 16 HG SER 16 9.886 5.300 2.367
Start of MODEL 9
1 1H GLY 1 1HT GLY 1 -11.242 -0.263 -4.593
2 2H GLY 1 2HT GLY 1 -10.711 -0.372 -2.992
3 3H GLY 1 3HT GLY 1 -9.589 -0.390 -4.257
4 1HA GLY 1 1HA GLY 1 -10.441 1.898 -4.866
5 2HA GLY 1 2HA GLY 1 -11.223 1.879 -3.293
6 H ARG 2 H ARG 2 -10.003 2.112 -1.439
7 HA ARG 2 HA ARG 2 -7.214 2.929 -1.897
8 1HB ARG 2 2HB ARG 2 -8.926 3.646 0.481
9 2HB ARG 2 1HB ARG 2 -7.400 4.373 -0.002
10 1HG ARG 2 2HG ARG 2 -9.476 4.539 -2.049
11 2HG ARG 2 1HG ARG 2 -9.882 5.372 -0.547
12 1HD ARG 2 2HD ARG 2 -8.772 6.925 -1.995
13 2HD ARG 2 1HD ARG 2 -7.685 6.529 -0.665
14 HE ARG 2 HE ARG 2 -6.949 4.779 -2.581
15 1HH1 ARG 2 1HH1 ARG 2 -7.400 8.240 -2.585
16 2HH1 ARG 2 2HH1 ARG 2 -6.203 8.520 -3.805
17 1HH2 ARG 2 1HH2 ARG 2 -5.374 5.145 -4.185
18 2HH2 ARG 2 2HH2 ARG 2 -5.054 6.764 -4.714
19 H MET 3 H MET 3 -7.821 0.204 -1.655
20 HA MET 3 HA MET 3 -6.050 -0.528 0.453
21 1HB MET 3 2HB MET 3 -7.688 -2.025 1.637
22 2HB MET 3 1HB MET 3 -7.946 -0.304 1.888
23 1HG MET 3 2HG MET 3 -9.637 -0.480 -0.030
24 2HG MET 3 1HG MET 3 -9.544 -2.219 0.236
25 1HE MET 3 1HE MET 3 -9.047 -1.640 3.761
26 2HE MET 3 2HE MET 3 -9.467 -3.055 2.797
27 3HE MET 3 3HE MET 3 -10.593 -2.451 4.013
28 H LEU 4 H LEU 4 -5.627 -0.981 -2.081
29 HA LEU 4 HA LEU 4 -5.259 -3.690 -2.351
30 1HB LEU 4 2HB LEU 4 -7.920 -3.083 -2.836
31 2HB LEU 4 1HB LEU 4 -7.210 -3.270 -4.427
32 HG LEU 4 HG LEU 4 -6.296 -5.452 -2.872
33 1HD1 LEU 4 1HD1 LEU 4 -8.006 -5.250 -1.279
34 2HD1 LEU 4 2HD1 LEU 4 -8.576 -6.479 -2.409
35 3HD1 LEU 4 3HD1 LEU 4 -9.210 -4.835 -2.499
36 1HD2 LEU 4 1HD2 LEU 4 -8.532 -5.791 -4.787
37 2HD2 LEU 4 2HD2 LEU 4 -7.005 -6.662 -4.660
38 3HD2 LEU 4 3HD2 LEU 4 -7.047 -5.060 -5.394
39 HA PRO 5 HA PRO 5 -4.321 -1.558 -6.503
40 1HB PRO 5 2HB PRO 5 -5.510 1.115 -6.300
41 2HB PRO 5 1HB PRO 5 -5.820 -0.153 -7.495
42 1HG PRO 5 2HG PRO 5 -7.705 0.477 -5.704
43 2HG PRO 5 1HG PRO 5 -7.406 -1.223 -6.132
44 1HD PRO 5 2HD PRO 5 -6.276 0.300 -3.806
45 2HD PRO 5 1HD PRO 5 -7.236 -1.205 -3.789
46 H GLN 6 H GLN 6 -4.173 0.082 -3.498
47 HA GLN 6 HA GLN 6 -1.725 1.507 -4.279
48 1HB GLN 6 2HB GLN 6 -3.554 2.876 -3.280
49 2HB GLN 6 1HB GLN 6 -3.446 1.905 -1.820
50 1HG GLN 6 2HG GLN 6 -0.939 2.634 -1.876
51 2HG GLN 6 1HG GLN 6 -1.554 3.938 -2.891
52 1HE2 GLN 6 1HE2 GLN 6 -1.643 2.481 0.275
53 2HE2 GLN 6 2HE2 GLN 6 -2.332 3.835 1.097
54 H LEU 7 H LEU 7 -2.990 -1.132 -2.513
55 HA LEU 7 HA LEU 7 -1.156 -1.427 -0.441
56 1HB LEU 7 2HB LEU 7 -3.306 -2.745 -0.976
57 2HB LEU 7 1HB LEU 7 -2.270 -3.756 -1.964
58 HG LEU 7 HG LEU 7 -1.400 -3.302 0.835
59 1HD1 LEU 7 1HD1 LEU 7 -2.965 -5.436 1.242
60 2HD1 LEU 7 2HD1 LEU 7 -3.970 -4.553 0.092
61 3HD1 LEU 7 3HD1 LEU 7 -3.471 -3.785 1.600
62 1HD2 LEU 7 1HD2 LEU 7 -1.187 -5.926 0.382
63 2HD2 LEU 7 2HD2 LEU 7 0.030 -4.762 -0.143
64 3HD2 LEU 7 3HD2 LEU 7 -1.179 -5.353 -1.286
65 H VAL 8 H VAL 8 -0.752 -1.798 -3.821
66 HA VAL 8 HA VAL 8 1.591 -3.481 -3.629
67 HB VAL 8 HB VAL 8 0.538 -2.035 -6.051
68 1HG1 VAL 8 1HG1 VAL 8 2.067 -3.139 -7.289
69 2HG1 VAL 8 2HG1 VAL 8 1.980 -4.593 -6.294
70 3HG1 VAL 8 3HG1 VAL 8 2.944 -3.216 -5.760
71 1HG2 VAL 8 1HG2 VAL 8 -0.330 -4.547 -4.735
72 2HG2 VAL 8 2HG2 VAL 8 -0.251 -4.533 -6.498
73 3HG2 VAL 8 3HG2 VAL 8 -1.265 -3.364 -5.650
74 H CYS 9 H CYS 9 1.033 -0.365 -5.186
75 HA CYS 9 HA CYS 9 3.683 0.437 -5.311
76 1HB CYS 9 2HB CYS 9 1.710 1.597 -6.401
77 2HB CYS 9 1HB CYS 9 1.352 2.313 -4.833
78 HG CYS 9 HG CYS 9 4.081 2.908 -6.189
79 H ARG 10 H ARG 10 1.349 0.684 -2.657
80 HA ARG 10 HA ARG 10 3.119 2.214 -1.058
81 1HB ARG 10 2HB ARG 10 0.800 2.139 -0.363
82 2HB ARG 10 1HB ARG 10 0.908 0.393 -0.130
83 1HG ARG 10 2HG ARG 10 3.038 1.662 1.329
84 2HG ARG 10 1HG ARG 10 1.487 2.432 1.740
85 1HD ARG 10 2HD ARG 10 1.640 -0.546 1.631
86 2HD ARG 10 1HD ARG 10 2.311 0.296 3.028
87 HE ARG 10 HE ARG 10 -0.472 -0.008 2.347
88 1HH1 ARG 10 1HH1 ARG 10 1.862 1.841 4.168
89 2HH1 ARG 10 2HH1 ARG 10 0.701 2.409 5.319
90 1HH2 ARG 10 1HH2 ARG 10 -2.002 0.739 3.861
91 2HH2 ARG 10 2HH2 ARG 10 -1.492 1.784 5.146
92 H LEU 11 H LEU 11 2.573 -1.228 -1.441
93 HA LEU 11 HA LEU 11 4.008 -2.462 0.388
94 1HB LEU 11 2HB LEU 11 3.113 -3.285 -1.981
95 2HB LEU 11 1HB LEU 11 4.809 -3.124 -2.397
96 HG LEU 11 HG LEU 11 4.438 -5.397 -1.799
97 1HD1 LEU 11 1HD1 LEU 11 6.393 -3.962 -0.721
98 2HD1 LEU 11 2HD1 LEU 11 6.178 -5.675 -0.365
99 3HD1 LEU 11 3HD1 LEU 11 5.587 -4.459 0.767
100 1HD2 LEU 11 1HD2 LEU 11 3.690 -5.609 0.796
101 2HD2 LEU 11 2HD2 LEU 11 2.585 -5.734 -0.572
102 3HD2 LEU 11 3HD2 LEU 11 2.751 -4.205 0.290
103 H VAL 12 H VAL 12 5.189 -0.579 -2.294
104 HA VAL 12 HA VAL 12 7.903 -0.845 -1.700
105 HB VAL 12 HB VAL 12 6.608 1.609 -2.882
106 1HG1 VAL 12 1HG1 VAL 12 8.812 1.866 -4.015
107 2HG1 VAL 12 2HG1 VAL 12 9.418 0.529 -3.038
108 3HG1 VAL 12 3HG1 VAL 12 8.888 2.020 -2.260
109 1HG2 VAL 12 1HG2 VAL 12 5.866 -0.197 -4.225
110 2HG2 VAL 12 2HG2 VAL 12 7.458 -0.955 -4.210
111 3HG2 VAL 12 3HG2 VAL 12 7.206 0.551 -5.094
112 H LEU 13 H LEU 13 5.423 1.406 -0.754
113 HA LEU 13 HA LEU 13 7.154 2.497 1.260
114 1HB LEU 13 2HB LEU 13 4.394 3.372 1.389
115 2HB LEU 13 1HB LEU 13 5.897 4.285 1.482
116 HG LEU 13 HG LEU 13 4.844 3.204 -1.131
117 1HD1 LEU 13 1HD1 LEU 13 3.546 5.045 -1.502
118 2HD1 LEU 13 2HD1 LEU 13 4.443 6.047 -0.360
119 3HD1 LEU 13 3HD1 LEU 13 3.302 4.839 0.233
120 1HD2 LEU 13 1HD2 LEU 13 6.215 5.155 -1.969
121 2HD2 LEU 13 2HD2 LEU 13 7.123 3.812 -1.274
122 3HD2 LEU 13 3HD2 LEU 13 6.866 5.283 -0.335
123 H ARG 14 H ARG 14 5.462 -0.265 1.140
124 HA ARG 14 HA ARG 14 4.064 -0.359 3.551
125 1HB ARG 14 2HB ARG 14 5.159 -2.320 1.713
126 2HB ARG 14 1HB ARG 14 5.435 -2.815 3.369
127 1HG ARG 14 2HG ARG 14 2.765 -1.915 3.213
128 2HG ARG 14 1HG ARG 14 3.042 -2.980 1.835
129 1HD ARG 14 2HD ARG 14 2.298 -4.348 3.624
130 2HD ARG 14 1HD ARG 14 4.028 -4.637 3.443
131 HE ARG 14 HE ARG 14 3.486 -2.608 5.368
132 1HH1 ARG 14 1HH1 ARG 14 3.542 -6.065 4.894
133 2HH1 ARG 14 2HH1 ARG 14 3.818 -6.415 6.567
134 1HH2 ARG 14 1HH2 ARG 14 3.849 -3.067 7.569
135 2HH2 ARG 14 2HH2 ARG 14 3.993 -4.714 8.086
136 H CYS 15 H CYS 15 7.299 -0.593 2.474
137 HA CYS 15 HA CYS 15 8.567 -0.795 5.079
138 1HB CYS 15 2HB CYS 15 9.263 -1.425 2.463
139 2HB CYS 15 1HB CYS 15 10.229 -0.015 2.802
140 HG CYS 15 HG CYS 15 10.415 -2.445 4.726
141 H SER 16 H SER 16 8.069 1.443 2.449
142 HA SER 16 HA SER 16 9.337 3.603 3.829
143 1HB SER 16 2HB SER 16 9.069 3.041 1.168
144 2HB SER 16 1HB SER 16 7.898 4.337 1.407
145 HG SER 16 HG SER 16 10.674 4.373 1.638
Start of MODEL 10
1 1H GLY 1 1HT GLY 1 -11.781 2.761 -1.740
2 2H GLY 1 2HT GLY 1 -10.689 3.665 -0.817
3 3H GLY 1 3HT GLY 1 -11.155 2.122 -0.303
4 1HA GLY 1 1HA GLY 1 -9.874 1.035 -1.845
5 2HA GLY 1 2HA GLY 1 -9.873 2.420 -2.927
6 H ARG 2 H ARG 2 -9.193 2.638 0.505
7 HA ARG 2 HA ARG 2 -6.500 3.581 -0.156
8 1HB ARG 2 2HB ARG 2 -8.249 3.922 2.276
9 2HB ARG 2 1HB ARG 2 -6.550 4.370 2.271
10 1HG ARG 2 2HG ARG 2 -7.794 6.338 1.847
11 2HG ARG 2 1HG ARG 2 -7.041 5.866 0.323
12 1HD ARG 2 2HD ARG 2 -9.627 4.628 0.608
13 2HD ARG 2 1HD ARG 2 -9.752 6.376 0.800
14 HE ARG 2 HE ARG 2 -9.079 4.927 -1.605
15 1HH1 ARG 2 1HH1 ARG 2 -8.975 8.005 0.043
16 2HH1 ARG 2 2HH1 ARG 2 -8.840 8.922 -1.418
17 1HH2 ARG 2 1HH2 ARG 2 -8.901 6.135 -3.526
18 2HH2 ARG 2 2HH2 ARG 2 -8.798 7.863 -3.444
19 H MET 3 H MET 3 -6.957 0.815 -0.290
20 HA MET 3 HA MET 3 -4.812 -0.182 1.204
21 1HB MET 3 2HB MET 3 -6.128 -1.758 2.689
22 2HB MET 3 1HB MET 3 -6.122 -0.068 3.177
23 1HG MET 3 2HG MET 3 -8.343 -0.851 1.424
24 2HG MET 3 1HG MET 3 -8.331 -1.613 3.013
25 1HE MET 3 1HE MET 3 -10.035 -0.897 4.231
26 2HE MET 3 2HE MET 3 -10.969 0.105 3.120
27 3HE MET 3 3HE MET 3 -10.496 0.740 4.696
28 H LEU 4 H LEU 4 -5.750 -0.272 -1.445
29 HA LEU 4 HA LEU 4 -5.644 -3.098 -1.903
30 1HB LEU 4 2HB LEU 4 -7.770 -1.976 -3.534
31 2HB LEU 4 1HB LEU 4 -7.685 -3.524 -2.719
32 HG LEU 4 HG LEU 4 -8.185 -1.080 -1.076
33 1HD1 LEU 4 1HD1 LEU 4 -10.595 -1.304 -1.477
34 2HD1 LEU 4 2HD1 LEU 4 -10.263 -2.475 -2.753
35 3HD1 LEU 4 3HD1 LEU 4 -9.721 -0.806 -2.926
36 1HD2 LEU 4 1HD2 LEU 4 -9.713 -3.545 -0.670
37 2HD2 LEU 4 2HD2 LEU 4 -8.823 -2.555 0.487
38 3HD2 LEU 4 3HD2 LEU 4 -7.967 -3.737 -0.504
39 HA PRO 5 HA PRO 5 -4.891 -0.834 -5.999
40 1HB PRO 5 2HB PRO 5 -5.577 1.975 -5.538
41 2HB PRO 5 1HB PRO 5 -6.270 0.841 -6.706
42 1HG PRO 5 2HG PRO 5 -7.730 1.682 -4.622
43 2HG PRO 5 1HG PRO 5 -7.810 -0.012 -5.156
44 1HD PRO 5 2HD PRO 5 -6.102 1.142 -2.975
45 2HD PRO 5 1HD PRO 5 -7.299 -0.177 -2.866
46 H GLN 6 H GLN 6 -4.039 0.474 -2.975
47 HA GLN 6 HA GLN 6 -1.529 1.572 -4.043
48 1HB GLN 6 2HB GLN 6 -2.523 2.091 -1.258
49 2HB GLN 6 1HB GLN 6 -1.417 3.049 -2.233
50 1HG GLN 6 2HG GLN 6 -3.543 3.327 -3.761
51 2HG GLN 6 1HG GLN 6 -4.384 2.963 -2.255
52 1HE2 GLN 6 1HE2 GLN 6 -4.535 4.494 -0.715
53 2HE2 GLN 6 2HE2 GLN 6 -3.868 6.083 -0.846
54 H LEU 7 H LEU 7 -2.922 -0.991 -2.290
55 HA LEU 7 HA LEU 7 -1.069 -1.671 -0.383
56 1HB LEU 7 2HB LEU 7 -3.267 -2.819 -1.020
57 2HB LEU 7 1HB LEU 7 -2.320 -3.716 -2.190
58 HG LEU 7 HG LEU 7 -0.920 -4.601 -0.356
59 1HD1 LEU 7 1HD1 LEU 7 -2.236 -4.291 1.951
60 2HD1 LEU 7 2HD1 LEU 7 -2.583 -2.728 1.210
61 3HD1 LEU 7 3HD1 LEU 7 -0.912 -3.240 1.449
62 1HD2 LEU 7 1HD2 LEU 7 -3.668 -5.240 0.523
63 2HD2 LEU 7 2HD2 LEU 7 -2.346 -6.310 0.057
64 3HD2 LEU 7 3HD2 LEU 7 -3.301 -5.496 -1.182
65 H VAL 8 H VAL 8 -0.749 -1.829 -3.821
66 HA VAL 8 HA VAL 8 1.595 -3.521 -3.742
67 HB VAL 8 HB VAL 8 0.486 -2.004 -6.099
68 1HG1 VAL 8 1HG1 VAL 8 2.689 -3.927 -5.713
69 2HG1 VAL 8 2HG1 VAL 8 2.495 -2.646 -6.909
70 3HG1 VAL 8 3HG1 VAL 8 1.669 -4.188 -7.127
71 1HG2 VAL 8 1HG2 VAL 8 -0.233 -4.565 -6.545
72 2HG2 VAL 8 2HG2 VAL 8 -1.288 -3.365 -5.799
73 3HG2 VAL 8 3HG2 VAL 8 -0.386 -4.495 -4.789
74 H CYS 9 H CYS 9 1.074 -0.384 -5.268
75 HA CYS 9 HA CYS 9 3.732 0.394 -5.359
76 1HB CYS 9 2HB CYS 9 1.148 1.914 -5.302
77 2HB CYS 9 1HB CYS 9 2.660 2.803 -5.151
78 HG CYS 9 HG CYS 9 1.564 2.201 -7.705
79 H ARG 10 H ARG 10 1.390 0.623 -2.735
80 HA ARG 10 HA ARG 10 3.092 2.160 -1.087
81 1HB ARG 10 2HB ARG 10 0.730 1.939 -0.477
82 2HB ARG 10 1HB ARG 10 0.978 0.218 -0.176
83 1HG ARG 10 2HG ARG 10 2.030 0.568 1.791
84 2HG ARG 10 1HG ARG 10 2.836 2.048 1.233
85 1HD ARG 10 2HD ARG 10 1.324 2.866 2.794
86 2HD ARG 10 1HD ARG 10 0.410 3.029 1.293
87 HE ARG 10 HE ARG 10 -0.349 0.606 2.142
88 1HH1 ARG 10 1HH1 ARG 10 -0.160 3.682 3.786
89 2HH1 ARG 10 2HH1 ARG 10 -1.464 3.326 4.867
90 1HH2 ARG 10 1HH2 ARG 10 -2.067 0.139 3.563
91 2HH2 ARG 10 2HH2 ARG 10 -2.547 1.316 4.741
92 H LEU 11 H LEU 11 2.602 -1.300 -1.449
93 HA LEU 11 HA LEU 11 4.079 -2.512 0.356
94 1HB LEU 11 2HB LEU 11 3.194 -3.355 -2.003
95 2HB LEU 11 1HB LEU 11 4.875 -3.125 -2.449
96 HG LEU 11 HG LEU 11 4.542 -5.427 -1.850
97 1HD1 LEU 11 1HD1 LEU 11 6.355 -5.687 -0.469
98 2HD1 LEU 11 2HD1 LEU 11 5.878 -4.358 0.589
99 3HD1 LEU 11 3HD1 LEU 11 6.575 -4.017 -0.995
100 1HD2 LEU 11 1HD2 LEU 11 2.526 -5.068 -0.460
101 2HD2 LEU 11 2HD2 LEU 11 3.561 -4.456 0.830
102 3HD2 LEU 11 3HD2 LEU 11 3.711 -6.131 0.299
103 H VAL 12 H VAL 12 5.219 -0.601 -2.326
104 HA VAL 12 HA VAL 12 7.939 -0.805 -1.711
105 HB VAL 12 HB VAL 12 6.607 1.623 -2.910
106 1HG1 VAL 12 1HG1 VAL 12 8.985 1.468 -4.136
107 2HG1 VAL 12 2HG1 VAL 12 9.405 0.733 -2.589
108 3HG1 VAL 12 3HG1 VAL 12 8.728 2.361 -2.636
109 1HG2 VAL 12 1HG2 VAL 12 6.377 -0.865 -3.959
110 2HG2 VAL 12 2HG2 VAL 12 7.867 -0.316 -4.726
111 3HG2 VAL 12 3HG2 VAL 12 6.384 0.619 -4.913
112 H LEU 13 H LEU 13 5.404 1.400 -0.790
113 HA LEU 13 HA LEU 13 7.088 2.511 1.254
114 1HB LEU 13 2HB LEU 13 4.349 3.429 1.314
115 2HB LEU 13 1HB LEU 13 5.865 4.318 1.402
116 HG LEU 13 HG LEU 13 4.773 3.209 -1.187
117 1HD1 LEU 13 1HD1 LEU 13 4.336 5.836 -1.421
118 2HD1 LEU 13 2HD1 LEU 13 4.045 5.651 0.308
119 3HD1 LEU 13 3HD1 LEU 13 3.111 4.704 -0.850
120 1HD2 LEU 13 1HD2 LEU 13 6.265 5.000 -2.113
121 2HD2 LEU 13 2HD2 LEU 13 7.104 3.674 -1.310
122 3HD2 LEU 13 3HD2 LEU 13 6.902 5.218 -0.483
123 H ARG 14 H ARG 14 5.382 -0.234 1.119
124 HA ARG 14 HA ARG 14 3.939 -0.266 3.516
125 1HB ARG 14 2HB ARG 14 3.654 -2.210 2.202
126 2HB ARG 14 1HB ARG 14 5.382 -2.408 1.960
127 1HG ARG 14 2HG ARG 14 4.592 -2.592 4.756
128 2HG ARG 14 1HG ARG 14 3.830 -3.809 3.730
129 1HD ARG 14 2HD ARG 14 5.799 -4.840 3.256
130 2HD ARG 14 1HD ARG 14 6.727 -3.344 3.341
131 HE ARG 14 HE ARG 14 5.728 -4.227 5.886
132 1HH1 ARG 14 1HH1 ARG 14 8.329 -4.520 3.578
133 2HH1 ARG 14 2HH1 ARG 14 9.486 -5.033 4.759
134 1HH2 ARG 14 1HH2 ARG 14 7.249 -4.901 7.442
135 2HH2 ARG 14 2HH2 ARG 14 8.873 -5.250 6.953
136 H CYS 15 H CYS 15 7.176 -0.552 2.459
137 HA CYS 15 HA CYS 15 8.408 -0.797 5.082
138 1HB CYS 15 2HB CYS 15 9.123 -1.428 2.453
139 2HB CYS 15 1HB CYS 15 10.152 -0.083 2.862
140 HG CYS 15 HG CYS 15 11.246 -1.484 4.708
141 H SER 16 H SER 16 7.963 1.435 2.440
142 HA SER 16 HA SER 16 9.263 3.585 3.819
143 1HB SER 16 2HB SER 16 9.023 2.999 1.155
144 2HB SER 16 1HB SER 16 7.885 4.330 1.369
145 HG SER 16 HG SER 16 10.653 4.294 1.595