Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
602672 | 2nav RC | 25948 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 HIS 1 1HT HIS 1 10.560 -4.335 8.033
2 H2 HIS 1 2HT HIS 1 10.255 -3.117 6.934
3 H3 HIS 1 3HT HIS 1 11.582 -2.988 7.976
4 HA HIS 1 HA HIS 1 12.258 -3.605 5.749
5 HB2 HIS 1 2HB HIS 1 13.563 -4.510 7.666
6 HB3 HIS 1 1HB HIS 1 12.485 -5.895 7.750
7 HD1 HIS 1 1HD HIS 1 12.833 -7.777 5.932
8 HD2 HIS 1 2HD HIS 1 15.499 -4.595 5.642
9 HE1 HIS 1 1HE HIS 1 14.626 -8.538 4.369
10 H GLY 2 H GLY 2 12.099 -5.138 3.996
11 HA2 GLY 2 2HA GLY 2 10.662 -7.425 3.880
12 HA3 GLY 2 1HA GLY 2 9.470 -6.150 3.655
13 H GLU 3 H GLU 3 9.017 -5.939 1.603
14 HA GLU 3 HA GLU 3 11.008 -5.405 -0.373
15 HB2 GLU 3 2HB GLU 3 10.351 -7.317 -1.832
16 HB3 GLU 3 1HB GLU 3 11.122 -7.854 -0.344
17 HG2 GLU 3 2HG GLU 3 8.810 -8.140 0.595
18 HG3 GLU 3 1HG GLU 3 8.212 -7.911 -1.041
19 H GLY 4 H GLY 4 9.542 -5.451 -2.642
20 HA2 GLY 4 2HA GLY 4 7.422 -3.562 -1.983
21 HA3 GLY 4 1HA GLY 4 8.124 -3.839 -3.567
22 H THR 5 H THR 5 6.418 -5.874 -1.187
23 HA THR 5 HA THR 5 5.068 -7.296 -3.290
24 HB THR 5 HB THR 5 4.592 -7.409 -0.307
25 HG1 THR 5 1HG THR 5 6.287 -8.899 -2.021
26 HG21 THR 5 3HG2 THR 5 3.648 -9.639 -0.780
27 HG22 THR 5 1HG2 THR 5 3.901 -9.381 -2.507
28 HG23 THR 5 2HG2 THR 5 2.752 -8.378 -1.624
29 H PHE 6 H PHE 6 3.881 -5.356 -0.514
30 HA PHE 6 HA PHE 6 1.491 -4.867 -2.113
31 HB2 PHE 6 2HB PHE 6 1.303 -6.524 -0.158
32 HB3 PHE 6 1HB PHE 6 1.532 -5.126 0.882
33 HD1 PHE 6 1HD PHE 6 -0.680 -6.752 -1.530
34 HD2 PHE 6 2HD PHE 6 -0.248 -3.526 1.210
35 HE1 PHE 6 1HE PHE 6 -3.074 -6.344 -1.652
36 HE2 PHE 6 2HE PHE 6 -2.662 -3.106 1.090
37 HZ PHE 6 HZ PHE 6 -4.090 -4.517 -0.344
38 H THR 7 H THR 7 1.471 -2.839 -2.579
39 HA THR 7 HA THR 7 2.763 -0.924 -0.806
40 HB THR 7 HB THR 7 3.562 -0.981 -3.129
41 HG1 THR 7 1HG THR 7 2.910 1.294 -3.663
42 HG21 THR 7 3HG2 THR 7 0.742 -0.200 -3.887
43 HG22 THR 7 1HG2 THR 7 1.538 -1.728 -4.260
44 HG23 THR 7 2HG2 THR 7 2.119 -0.234 -4.991
45 H SER 8 H SER 8 -0.296 -2.027 -1.790
46 HA SER 8 HA SER 8 -1.767 0.392 -1.850
47 HB2 SER 8 2HB SER 8 -2.782 -2.409 -1.457
48 HB3 SER 8 1HB SER 8 -3.705 -1.018 -2.031
49 HG SER 8 HG SER 8 -2.167 -0.893 -3.764
50 H ASP 9 H ASP 9 -0.344 -0.598 0.814
51 HA ASP 9 HA ASP 9 -2.425 -0.637 2.756
52 HB2 ASP 9 2HB ASP 9 0.517 -0.082 2.941
53 HB3 ASP 9 1HB ASP 9 -0.523 0.077 4.353
54 H CYS 10 H CYS 10 -3.539 0.970 3.584
55 HA CYS 10 HA CYS 10 -3.578 3.474 2.341
56 HB2 CYS 10 2HB CYS 10 -5.526 2.404 3.438
57 HB3 CYS 10 1HB CYS 10 -4.777 2.701 5.001
58 H SER 11 H SER 11 -2.314 2.458 5.501
59 HA SER 11 HA SER 11 -1.552 4.978 6.407
60 HB2 SER 11 2HB SER 11 -0.073 3.595 7.927
61 HB3 SER 11 1HB SER 11 -1.781 3.148 7.939
62 HG SER 11 HG SER 11 0.240 1.582 7.472
63 H LYS 12 H LYS 12 -0.091 2.641 4.336
64 HA LYS 12 HA LYS 12 2.566 3.682 4.408
65 HB2 LYS 12 2HB LYS 12 1.880 1.279 3.982
66 HB3 LYS 12 1HB LYS 12 1.249 1.854 2.444
67 HG2 LYS 12 2HG LYS 12 4.099 2.358 2.997
68 HG3 LYS 12 1HG LYS 12 3.620 0.692 2.670
69 HD2 LYS 12 2HD LYS 12 2.563 1.464 0.596
70 HD3 LYS 12 1HD LYS 12 3.142 3.098 0.927
71 HE2 LYS 12 2HE LYS 12 5.437 2.303 0.909
72 HE3 LYS 12 1HE LYS 12 4.876 0.658 0.610
73 HZ1 LYS 12 3HZ LYS 12 3.984 1.396 -1.532
74 HZ2 LYS 12 1HZ LYS 12 5.618 1.755 -1.419
75 HZ3 LYS 12 2HZ LYS 12 4.467 2.967 -1.220
76 H GLN 13 H GLN 13 -0.270 3.960 2.248
77 HA GLN 13 HA GLN 13 1.071 5.441 0.320
78 HB2 GLN 13 2HB GLN 13 -1.876 5.250 0.951
79 HB3 GLN 13 1HB GLN 13 -1.234 6.066 -0.467
80 HG2 GLN 13 2HG GLN 13 -1.001 3.134 0.194
81 HG3 GLN 13 1HG GLN 13 -1.963 3.864 -1.092
82 HE21 GLN 13 1HE2 GLN 13 1.158 3.038 -0.032
83 HE22 GLN 13 2HE2 GLN 13 2.011 3.267 -1.508
84 H CYS 14 H CYS 14 -0.682 6.290 3.221
85 HA CYS 14 HA CYS 14 -0.548 9.078 2.801
86 HB2 CYS 14 2HB CYS 14 -0.921 7.491 5.337
87 HB3 CYS 14 1HB CYS 14 -1.093 9.241 5.217
88 H GLU 15 H GLU 15 1.632 6.754 4.379
89 HA GLU 15 HA GLU 15 3.345 8.790 5.323
90 HB2 GLU 15 2HB GLU 15 3.896 5.857 4.858
91 HB3 GLU 15 1HB GLU 15 5.052 6.970 5.577
92 HG2 GLU 15 2HG GLU 15 2.382 6.144 6.688
93 HG3 GLU 15 1HG GLU 15 3.980 5.784 7.341
94 H GLU 16 H GLU 16 3.102 7.151 2.259
95 HA GLU 16 HA GLU 16 5.500 8.287 1.220
96 HB2 GLU 16 2HB GLU 16 3.059 7.219 -0.194
97 HB3 GLU 16 1HB GLU 16 4.475 7.805 -1.047
98 HG2 GLU 16 2HG GLU 16 5.790 6.093 0.280
99 HG3 GLU 16 1HG GLU 16 4.231 5.420 0.750
100 H GLY 17 H GLY 17 2.304 9.421 1.696
101 HA2 GLY 17 2HA GLY 17 1.873 11.725 1.907
102 HA3 GLY 17 1HA GLY 17 3.210 12.048 0.815
103 H ILE 18 H ILE 18 0.811 9.621 0.038
104 HA ILE 18 HA ILE 18 -0.178 11.531 -1.877
105 HB ILE 18 HB ILE 18 -1.026 9.441 -3.118
106 HG12 ILE 18 2HG1 ILE 18 1.338 8.341 -1.591
107 HG13 ILE 18 1HG1 ILE 18 -0.310 7.728 -1.574
108 HG21 ILE 18 1HG2 ILE 18 0.441 11.104 -4.069
109 HG22 ILE 18 2HG2 ILE 18 1.025 9.497 -4.503
110 HG23 ILE 18 3HG2 ILE 18 1.825 10.407 -3.223
111 HD11 ILE 18 3HD1 ILE 18 1.102 6.312 -2.924
112 HD12 ILE 18 1HD1 ILE 18 1.587 7.717 -3.886
113 HD13 ILE 18 2HD1 ILE 18 -0.080 7.155 -3.945
114 H GLY 19 H GLY 19 -1.775 8.587 -0.765
115 HA2 GLY 19 2HA GLY 19 -3.929 8.417 0.139
116 HA3 GLY 19 1HA GLY 19 -3.796 10.119 0.549
117 H HIS 20 H HIS 20 -3.227 9.284 -2.669
118 HA HIS 20 HA HIS 20 -5.694 10.583 -3.585
119 HB2 HIS 20 2HB HIS 20 -3.541 11.664 -4.132
120 HB3 HIS 20 1HB HIS 20 -2.989 10.146 -4.826
121 HD1 HIS 20 1HD HIS 20 -2.955 10.358 -7.325
122 HD2 HIS 20 2HD HIS 20 -6.168 12.383 -5.640
123 HE1 HIS 20 1HE HIS 20 -4.205 11.362 -9.235
124 H LYS 21 H LYS 21 -7.040 9.359 -4.899
125 HA LYS 21 HA LYS 21 -7.932 7.554 -6.020
126 HB2 LYS 21 2HB LYS 21 -5.107 6.455 -6.120
127 HB3 LYS 21 1HB LYS 21 -6.483 5.798 -6.985
128 HG2 LYS 21 2HG LYS 21 -6.605 7.728 -8.384
129 HG3 LYS 21 1HG LYS 21 -5.390 8.567 -7.414
130 HD2 LYS 21 2HD LYS 21 -3.743 6.846 -8.034
131 HD3 LYS 21 1HD LYS 21 -4.964 6.060 -9.037
132 HE2 LYS 21 2HE LYS 21 -5.117 7.998 -10.444
133 HE3 LYS 21 1HE LYS 21 -4.028 8.897 -9.392
134 HZ1 LYS 21 3HZ LYS 21 -2.885 8.078 -11.331
135 HZ2 LYS 21 1HZ LYS 21 -3.297 6.483 -10.980
136 HZ3 LYS 21 2HZ LYS 21 -2.268 7.325 -9.955
137 H TYR 22 H TYR 22 -7.154 7.739 -3.110
138 HA TYR 22 HA TYR 22 -7.708 4.949 -2.452
139 HB2 TYR 22 2HB TYR 22 -5.916 6.772 -0.798
140 HB3 TYR 22 1HB TYR 22 -6.190 5.050 -0.545
141 HD1 TYR 22 1HD TYR 22 -5.855 3.939 -3.206
142 HD2 TYR 22 2HD TYR 22 -3.566 7.036 -1.323
143 HE1 TYR 22 1HE TYR 22 -3.987 3.462 -4.669
144 HE2 TYR 22 2HE TYR 22 -1.746 6.575 -2.805
145 HH TYR 22 HH TYR 22 -0.919 4.575 -4.050
146 HA PRO 23 HA PRO 23 -11.045 7.718 -1.095
147 HB2 PRO 23 2HB PRO 23 -12.971 5.794 -0.967
148 HB3 PRO 23 1HB PRO 23 -12.396 6.535 -2.474
149 HG2 PRO 23 2HG PRO 23 -11.569 3.931 -1.272
150 HG3 PRO 23 1HG PRO 23 -12.059 4.293 -2.940
151 HD2 PRO 23 2HD PRO 23 -9.504 4.094 -2.224
152 HD3 PRO 23 1HD PRO 23 -10.027 5.263 -3.453
153 H PHE 24 H PHE 24 -9.614 5.158 0.470
154 HA PHE 24 HA PHE 24 -11.073 5.595 2.951
155 HB2 PHE 24 2HB PHE 24 -9.664 3.473 3.604
156 HB3 PHE 24 1HB PHE 24 -11.099 3.305 2.599
157 HD1 PHE 24 2HD PHE 24 -7.420 3.256 2.614
158 HD2 PHE 24 1HD PHE 24 -10.947 2.693 0.319
159 HE1 PHE 24 2HE PHE 24 -6.089 2.220 0.825
160 HE2 PHE 24 1HE PHE 24 -9.657 1.687 -1.468
161 HZ PHE 24 HZ PHE 24 -7.193 1.429 -1.224
162 H CYS 25 H CYS 25 -8.603 7.051 1.545
163 HA CYS 25 HA CYS 25 -7.022 7.116 4.016
164 HB2 CYS 25 2HB CYS 25 -5.987 7.480 1.211
165 HB3 CYS 25 1HB CYS 25 -5.037 7.604 2.683
166 H HIS 26 H HIS 26 -8.047 8.885 4.888
167 HA HIS 26 HA HIS 26 -7.516 11.404 3.500
168 HB2 HIS 26 2HB HIS 26 -9.375 10.799 5.831
169 HB3 HIS 26 1HB HIS 26 -9.033 12.418 5.237
170 HD1 HIS 26 1HD HIS 26 -10.375 13.222 3.204
171 HD2 HIS 26 2HD HIS 26 -10.904 9.186 4.068
172 HE1 HIS 26 1HE HIS 26 -12.294 12.459 1.771
173 H CYS 27 H CYS 27 -5.539 12.016 4.011
174 HA CYS 27 HA CYS 27 -4.704 11.740 6.796
175 HB2 CYS 27 2HB CYS 27 -3.076 11.023 4.354
176 HB3 CYS 27 1HB CYS 27 -2.480 11.022 6.014
177 H ARG 28 H ARG 28 -2.201 12.876 6.652
178 HA ARG 28 HA ARG 28 -2.894 15.660 6.092
179 HB2 ARG 28 2HB ARG 28 -0.713 14.450 7.800
180 HB3 ARG 28 1HB ARG 28 -1.019 16.168 7.612
181 HG2 ARG 28 2HG ARG 28 -3.117 15.993 8.722
182 HG3 ARG 28 1HG ARG 28 -3.031 14.232 8.717
183 HD2 ARG 28 2HD ARG 28 -2.455 15.126 10.913
184 HD3 ARG 28 1HD ARG 28 -1.083 14.307 10.167
185 HE ARG 28 HE ARG 28 -1.162 17.140 9.749
186 HH11 ARG 28 1HH1 ARG 28 -0.031 14.545 11.891
187 HH12 ARG 28 2HH1 ARG 28 1.181 15.487 12.626
188 HH21 ARG 28 1HH2 ARG 28 0.510 18.422 10.770
189 HH22 ARG 28 2HH2 ARG 28 1.506 17.747 11.972
190 HN1 NH2 29 1H ARG 28 -2.454 15.437 3.845
191 HN2 NH2 29 2H ARG 28 -0.832 15.407 3.250
Start of MODEL 2
1 H1 HIS 1 1HT HIS 1 12.180 -6.764 5.727
2 H2 HIS 1 2HT HIS 1 12.539 -6.634 4.086
3 H3 HIS 1 3HT HIS 1 10.962 -6.428 4.600
4 HA HIS 1 HA HIS 1 11.499 -4.420 5.685
5 HB2 HIS 1 2HB HIS 1 14.296 -4.975 4.645
6 HB3 HIS 1 1HB HIS 1 13.768 -3.424 5.288
7 HD1 HIS 1 1HD HIS 1 15.092 -6.713 6.358
8 HD2 HIS 1 2HD HIS 1 13.093 -3.486 8.051
9 HE1 HIS 1 1HE HIS 1 15.327 -6.980 8.838
10 H GLY 2 H GLY 2 11.361 -2.469 4.495
11 HA2 GLY 2 2HA GLY 2 10.984 -1.225 2.599
12 HA3 GLY 2 1HA GLY 2 11.589 -2.569 1.626
13 H GLU 3 H GLU 3 9.856 -2.559 0.184
14 HA GLU 3 HA GLU 3 7.187 -2.873 1.193
15 HB2 GLU 3 2HB GLU 3 8.295 -3.053 -1.618
16 HB3 GLU 3 1HB GLU 3 6.587 -3.113 -1.206
17 HG2 GLU 3 2HG GLU 3 8.440 -0.796 -0.709
18 HG3 GLU 3 1HG GLU 3 7.231 -0.904 -1.990
19 H GLY 4 H GLY 4 6.919 -4.714 2.235
20 HA2 GLY 4 2HA GLY 4 8.259 -7.117 1.460
21 HA3 GLY 4 1HA GLY 4 7.082 -6.945 2.754
22 H THR 5 H THR 5 4.858 -6.861 2.151
23 HA THR 5 HA THR 5 4.323 -8.331 -0.333
24 HB THR 5 HB THR 5 2.841 -8.627 2.289
25 HG1 THR 5 1HG THR 5 5.193 -9.742 1.336
26 HG21 THR 5 3HG2 THR 5 1.975 -10.674 1.245
27 HG22 THR 5 1HG2 THR 5 2.904 -10.322 -0.217
28 HG23 THR 5 2HG2 THR 5 1.588 -9.252 0.271
29 H PHE 6 H PHE 6 3.199 -5.917 2.024
30 HA PHE 6 HA PHE 6 0.957 -5.338 0.260
31 HB2 PHE 6 2HB PHE 6 0.912 -5.821 2.913
32 HB3 PHE 6 1HB PHE 6 1.160 -4.077 2.926
33 HD1 PHE 6 1HD PHE 6 -0.494 -2.629 1.661
34 HD2 PHE 6 2HD PHE 6 -1.170 -6.731 2.505
35 HE1 PHE 6 1HE PHE 6 -2.897 -2.312 1.273
36 HE2 PHE 6 2HE PHE 6 -3.562 -6.427 2.125
37 HZ PHE 6 HZ PHE 6 -4.439 -4.213 1.508
38 H THR 7 H THR 7 1.488 -3.809 -1.123
39 HA THR 7 HA THR 7 3.364 -1.760 -0.250
40 HB THR 7 HB THR 7 4.038 -2.963 -2.279
41 HG1 THR 7 1HG THR 7 4.421 -0.689 -1.997
42 HG21 THR 7 3HG2 THR 7 2.780 -2.716 -4.398
43 HG22 THR 7 1HG2 THR 7 1.495 -1.895 -3.512
44 HG23 THR 7 2HG2 THR 7 1.855 -3.585 -3.171
45 H SER 8 H SER 8 0.097 -2.219 -1.350
46 HA SER 8 HA SER 8 -0.383 0.633 -1.610
47 HB2 SER 8 2HB SER 8 -1.236 -1.066 -3.274
48 HB3 SER 8 1HB SER 8 -2.276 -1.707 -2.008
49 HG SER 8 HG SER 8 -3.317 0.286 -1.909
50 H ASP 9 H ASP 9 0.303 -0.336 0.938
51 HA ASP 9 HA ASP 9 -1.924 -0.813 2.678
52 HB2 ASP 9 2HB ASP 9 0.461 -1.294 3.374
53 HB3 ASP 9 1HB ASP 9 0.708 0.461 3.332
54 H CYS 10 H CYS 10 -3.368 0.589 3.448
55 HA CYS 10 HA CYS 10 -3.690 3.114 2.363
56 HB2 CYS 10 2HB CYS 10 -5.519 1.793 3.363
57 HB3 CYS 10 1HB CYS 10 -4.844 2.077 4.963
58 H SER 11 H SER 11 -2.213 2.188 5.441
59 HA SER 11 HA SER 11 -1.894 4.846 6.308
60 HB2 SER 11 2HB SER 11 -0.402 2.383 7.193
61 HB3 SER 11 1HB SER 11 -0.503 3.904 8.078
62 HG SER 11 HG SER 11 -2.644 2.132 7.468
63 H LYS 12 H LYS 12 0.049 2.596 4.533
64 HA LYS 12 HA LYS 12 2.478 4.068 4.493
65 HB2 LYS 12 2HB LYS 12 2.213 1.694 3.950
66 HB3 LYS 12 1HB LYS 12 1.431 2.180 2.442
67 HG2 LYS 12 2HG LYS 12 3.435 3.303 1.727
68 HG3 LYS 12 1HG LYS 12 4.231 2.908 3.251
69 HD2 LYS 12 2HD LYS 12 3.155 0.954 1.279
70 HD3 LYS 12 1HD LYS 12 4.865 1.417 1.439
71 HE2 LYS 12 2HE LYS 12 4.809 0.568 3.779
72 HE3 LYS 12 1HE LYS 12 3.148 0.049 3.516
73 HZ1 LYS 12 3HZ LYS 12 5.437 -0.887 1.936
74 HZ2 LYS 12 1HZ LYS 12 3.878 -1.531 1.896
75 HZ3 LYS 12 2HZ LYS 12 4.833 -1.718 3.281
76 H GLN 13 H GLN 13 -0.434 4.100 2.462
77 HA GLN 13 HA GLN 13 0.655 5.701 0.446
78 HB2 GLN 13 2HB GLN 13 -2.236 5.558 1.339
79 HB3 GLN 13 1HB GLN 13 -1.659 6.120 -0.226
80 HG2 GLN 13 2HG GLN 13 -1.606 3.311 0.866
81 HG3 GLN 13 1HG GLN 13 -2.570 3.923 -0.473
82 HE21 GLN 13 1HE2 GLN 13 0.561 2.893 0.560
83 HE22 GLN 13 2HE2 GLN 13 1.268 2.766 -1.008
84 H CYS 14 H CYS 14 -0.852 6.361 3.525
85 HA CYS 14 HA CYS 14 -0.893 9.168 3.135
86 HB2 CYS 14 2HB CYS 14 -1.226 7.513 5.637
87 HB3 CYS 14 1HB CYS 14 -1.468 9.258 5.539
88 H GLU 15 H GLU 15 1.388 6.923 4.629
89 HA GLU 15 HA GLU 15 3.061 8.983 5.639
90 HB2 GLU 15 2HB GLU 15 3.669 6.083 5.074
91 HB3 GLU 15 1HB GLU 15 4.768 7.184 5.895
92 HG2 GLU 15 2HG GLU 15 3.056 7.538 7.633
93 HG3 GLU 15 1HG GLU 15 2.038 6.344 6.832
94 H GLU 16 H GLU 16 2.975 7.221 2.592
95 HA GLU 16 HA GLU 16 5.306 8.513 1.570
96 HB2 GLU 16 2HB GLU 16 3.036 7.121 0.122
97 HB3 GLU 16 1HB GLU 16 4.478 7.727 -0.677
98 HG2 GLU 16 2HG GLU 16 5.819 6.183 0.745
99 HG3 GLU 16 1HG GLU 16 4.306 5.520 1.362
100 H GLY 17 H GLY 17 2.066 9.408 2.023
101 HA2 GLY 17 2HA GLY 17 1.214 11.552 1.947
102 HA3 GLY 17 1HA GLY 17 2.680 12.081 1.133
103 H ILE 18 H ILE 18 0.669 9.429 0.146
104 HA ILE 18 HA ILE 18 0.381 10.664 -2.464
105 HB ILE 18 HB ILE 18 -0.685 7.945 -1.620
106 HG12 ILE 18 2HG1 ILE 18 2.000 8.563 -2.860
107 HG13 ILE 18 1HG1 ILE 18 1.759 8.175 -1.160
108 HG21 ILE 18 1HG2 ILE 18 -1.546 8.879 -3.734
109 HG22 ILE 18 2HG2 ILE 18 -0.522 7.474 -4.028
110 HG23 ILE 18 3HG2 ILE 18 0.108 9.096 -4.308
111 HD11 ILE 18 3HD1 ILE 18 2.553 6.252 -2.412
112 HD12 ILE 18 1HD1 ILE 18 1.166 6.378 -3.492
113 HD13 ILE 18 2HD1 ILE 18 0.924 5.970 -1.794
114 H GLY 19 H GLY 19 -2.057 8.689 -0.834
115 HA2 GLY 19 2HA GLY 19 -4.239 9.142 -0.268
116 HA3 GLY 19 1HA GLY 19 -3.803 10.845 -0.240
117 H HIS 20 H HIS 20 -3.189 9.078 -3.105
118 HA HIS 20 HA HIS 20 -5.268 10.625 -4.461
119 HB2 HIS 20 2HB HIS 20 -2.927 11.130 -5.102
120 HB3 HIS 20 1HB HIS 20 -2.678 9.440 -5.501
121 HD1 HIS 20 1HD HIS 20 -4.374 12.558 -6.784
122 HD2 HIS 20 2HD HIS 20 -3.556 8.665 -7.975
123 HE1 HIS 20 1HE HIS 20 -4.907 12.463 -9.234
124 H LYS 21 H LYS 21 -6.938 9.507 -5.147
125 HA LYS 21 HA LYS 21 -8.314 7.893 -5.882
126 HB2 LYS 21 2HB LYS 21 -5.788 6.331 -6.472
127 HB3 LYS 21 1HB LYS 21 -7.407 5.801 -6.908
128 HG2 LYS 21 2HG LYS 21 -7.676 7.700 -8.374
129 HG3 LYS 21 1HG LYS 21 -6.119 8.349 -7.865
130 HD2 LYS 21 2HD LYS 21 -5.939 7.263 -10.039
131 HD3 LYS 21 1HD LYS 21 -4.991 6.397 -8.834
132 HE2 LYS 21 2HE LYS 21 -6.197 4.846 -10.283
133 HE3 LYS 21 1HE LYS 21 -6.788 4.732 -8.630
134 HZ1 LYS 21 3HZ LYS 21 -8.589 4.738 -10.227
135 HZ2 LYS 21 1HZ LYS 21 -8.110 6.237 -10.828
136 HZ3 LYS 21 2HZ LYS 21 -8.685 6.073 -9.241
137 H TYR 22 H TYR 22 -7.184 8.081 -3.139
138 HA TYR 22 HA TYR 22 -8.053 5.420 -2.246
139 HB2 TYR 22 2HB TYR 22 -5.986 7.089 -0.757
140 HB3 TYR 22 1HB TYR 22 -6.442 5.422 -0.425
141 HD1 TYR 22 2HD TYR 22 -6.363 4.275 -3.161
142 HD2 TYR 22 1HD TYR 22 -3.642 6.968 -1.259
143 HE1 TYR 22 2HE TYR 22 -4.633 3.585 -4.683
144 HE2 TYR 22 1HE TYR 22 -1.899 6.276 -2.812
145 HH TYR 22 HH TYR 22 -2.524 4.581 -5.617
146 HA PRO 23 HA PRO 23 -10.922 8.608 -0.591
147 HB2 PRO 23 2HB PRO 23 -13.137 7.041 -0.647
148 HB3 PRO 23 1HB PRO 23 -12.471 7.803 -2.099
149 HG2 PRO 23 2HG PRO 23 -12.112 5.010 -1.151
150 HG3 PRO 23 1HG PRO 23 -12.534 5.602 -2.767
151 HD2 PRO 23 2HD PRO 23 -10.031 4.895 -2.108
152 HD3 PRO 23 1HD PRO 23 -10.362 6.209 -3.255
153 H PHE 24 H PHE 24 -10.033 5.529 0.509
154 HA PHE 24 HA PHE 24 -11.340 5.831 3.080
155 HB2 PHE 24 2HB PHE 24 -10.325 3.451 3.395
156 HB3 PHE 24 1HB PHE 24 -11.698 3.655 2.313
157 HD1 PHE 24 1HD PHE 24 -11.439 3.493 -0.043
158 HD2 PHE 24 2HD PHE 24 -8.110 2.910 2.518
159 HE1 PHE 24 1HE PHE 24 -10.222 2.595 -1.905
160 HE2 PHE 24 2HE PHE 24 -6.838 1.955 0.643
161 HZ PHE 24 HZ PHE 24 -7.877 1.784 -1.592
162 H CYS 25 H CYS 25 -8.626 6.979 1.801
163 HA CYS 25 HA CYS 25 -7.126 6.580 4.277
164 HB2 CYS 25 2HB CYS 25 -6.011 7.051 1.513
165 HB3 CYS 25 1HB CYS 25 -5.066 6.910 2.989
166 H HIS 26 H HIS 26 -7.744 8.350 5.357
167 HA HIS 26 HA HIS 26 -7.575 10.937 4.103
168 HB2 HIS 26 2HB HIS 26 -9.301 10.460 5.870
169 HB3 HIS 26 1HB HIS 26 -8.003 10.223 7.032
170 HD1 HIS 26 1HD HIS 26 -7.641 12.274 8.467
171 HD2 HIS 26 2HD HIS 26 -9.045 13.198 4.661
172 HE1 HIS 26 1HE HIS 26 -7.921 14.768 8.424
173 H CYS 27 H CYS 27 -5.584 11.454 3.636
174 HA CYS 27 HA CYS 27 -3.414 10.636 5.402
175 HB2 CYS 27 2HB CYS 27 -3.344 11.585 2.538
176 HB3 CYS 27 1HB CYS 27 -1.975 10.986 3.475
177 H ARG 28 H ARG 28 -1.616 12.120 5.694
178 HA ARG 28 HA ARG 28 -2.435 14.591 6.673
179 HB2 ARG 28 2HB ARG 28 0.004 14.976 7.058
180 HB3 ARG 28 1HB ARG 28 -0.608 13.463 7.700
181 HG2 ARG 28 2HG ARG 28 0.333 12.303 5.699
182 HG3 ARG 28 1HG ARG 28 1.045 13.836 5.207
183 HD2 ARG 28 2HD ARG 28 2.262 13.928 7.349
184 HD3 ARG 28 1HD ARG 28 1.562 12.365 7.769
185 HE ARG 28 HE ARG 28 2.924 12.303 5.281
186 HH11 ARG 28 1HH1 ARG 28 3.377 12.019 8.769
187 HH12 ARG 28 2HH1 ARG 28 4.928 11.322 8.659
188 HH21 ARG 28 1HH2 ARG 28 4.975 11.302 5.113
189 HH22 ARG 28 2HH2 ARG 28 5.844 10.831 6.504
190 HN1 NH2 29 1H ARG 28 -3.319 15.914 5.211
191 HN2 NH2 29 2H ARG 28 -2.482 16.628 3.878
Start of MODEL 3
1 H1 HIS 1 1HT HIS 1 8.245 -10.651 4.204
2 H2 HIS 1 2HT HIS 1 8.134 -8.981 4.354
3 H3 HIS 1 3HT HIS 1 8.236 -9.935 5.721
4 HA HIS 1 HA HIS 1 10.418 -10.663 5.197
5 HB2 HIS 1 2HB HIS 1 10.165 -8.789 2.820
6 HB3 HIS 1 1HB HIS 1 11.668 -9.543 3.337
7 HD1 HIS 1 1HD HIS 1 9.391 -9.992 0.728
8 HD2 HIS 1 2HD HIS 1 10.973 -12.589 3.565
9 HE1 HIS 1 1HE HIS 1 9.134 -12.299 -0.223
10 H GLY 2 H GLY 2 9.225 -7.345 4.699
11 HA2 GLY 2 2HA GLY 2 10.933 -6.568 6.944
12 HA3 GLY 2 1HA GLY 2 10.643 -5.526 5.553
13 H GLU 3 H GLU 3 9.510 -3.910 6.351
14 HA GLU 3 HA GLU 3 7.055 -4.511 7.847
15 HB2 GLU 3 2HB GLU 3 8.825 -2.068 7.916
16 HB3 GLU 3 1HB GLU 3 7.328 -2.265 8.817
17 HG2 GLU 3 2HG GLU 3 8.277 -3.998 10.148
18 HG3 GLU 3 1HG GLU 3 9.717 -4.055 9.132
19 H GLY 4 H GLY 4 5.173 -3.638 7.007
20 HA2 GLY 4 2HA GLY 4 3.856 -2.433 5.540
21 HA3 GLY 4 1HA GLY 4 5.321 -1.648 4.942
22 H THR 5 H THR 5 3.934 -4.883 5.072
23 HA THR 5 HA THR 5 5.464 -5.972 3.047
24 HB THR 5 HB THR 5 2.713 -6.841 3.922
25 HG1 THR 5 1HG THR 5 5.126 -7.817 5.005
26 HG21 THR 5 3HG2 THR 5 3.588 -9.091 3.367
27 HG22 THR 5 1HG2 THR 5 5.083 -8.353 2.790
28 HG23 THR 5 2HG2 THR 5 3.556 -8.031 1.961
29 H PHE 6 H PHE 6 2.216 -4.476 2.829
30 HA PHE 6 HA PHE 6 2.408 -4.995 -0.031
31 HB2 PHE 6 2HB PHE 6 0.363 -5.662 1.399
32 HB3 PHE 6 1HB PHE 6 -0.076 -3.958 1.265
33 HD1 PHE 6 2HD PHE 6 0.655 -7.013 -0.597
34 HD2 PHE 6 1HD PHE 6 -0.970 -3.092 -0.781
35 HE1 PHE 6 2HE PHE 6 -0.235 -7.517 -2.790
36 HE2 PHE 6 1HE PHE 6 -1.893 -3.588 -3.009
37 HZ PHE 6 HZ PHE 6 -1.528 -5.801 -4.026
38 H THR 7 H THR 7 2.684 -3.465 -1.421
39 HA THR 7 HA THR 7 3.601 -0.969 -0.811
40 HB THR 7 HB THR 7 2.334 -2.000 -3.333
41 HG1 THR 7 1HG THR 7 5.019 -1.919 -2.417
42 HG21 THR 7 3HG2 THR 7 4.201 0.348 -2.914
43 HG22 THR 7 1HG2 THR 7 2.492 0.412 -3.353
44 HG23 THR 7 2HG2 THR 7 3.664 -0.278 -4.484
45 H SER 8 H SER 8 0.306 -1.891 -1.750
46 HA SER 8 HA SER 8 -0.529 0.873 -1.755
47 HB2 SER 8 2HB SER 8 -2.120 -1.621 -2.306
48 HB3 SER 8 1HB SER 8 -2.545 0.037 -2.737
49 HG SER 8 HG SER 8 -0.674 0.095 -4.035
50 H ASP 9 H ASP 9 0.140 -0.606 0.871
51 HA ASP 9 HA ASP 9 -2.359 -0.905 2.257
52 HB2 ASP 9 2HB ASP 9 -0.195 -1.896 3.114
53 HB3 ASP 9 1HB ASP 9 0.333 -0.255 3.487
54 H CYS 10 H CYS 10 -3.466 0.535 3.476
55 HA CYS 10 HA CYS 10 -3.651 3.165 2.732
56 HB2 CYS 10 2HB CYS 10 -5.388 1.849 3.918
57 HB3 CYS 10 1HB CYS 10 -4.451 1.997 5.400
58 H SER 11 H SER 11 -1.834 1.797 5.473
59 HA SER 11 HA SER 11 -1.213 4.311 6.619
60 HB2 SER 11 2HB SER 11 0.434 3.041 7.985
61 HB3 SER 11 1HB SER 11 -1.154 2.279 7.979
62 HG SER 11 HG SER 11 -0.375 0.787 6.430
63 H LYS 12 H LYS 12 0.208 2.315 4.217
64 HA LYS 12 HA LYS 12 2.663 3.702 4.195
65 HB2 LYS 12 2HB LYS 12 1.537 1.699 2.293
66 HB3 LYS 12 1HB LYS 12 3.155 2.399 2.170
67 HG2 LYS 12 2HG LYS 12 3.670 1.590 4.410
68 HG3 LYS 12 1HG LYS 12 2.073 0.851 4.505
69 HD2 LYS 12 2HD LYS 12 3.649 -0.813 3.933
70 HD3 LYS 12 1HD LYS 12 2.634 -0.465 2.526
71 HE2 LYS 12 2HE LYS 12 4.959 -0.704 1.842
72 HE3 LYS 12 1HE LYS 12 4.383 0.945 1.609
73 HZ1 LYS 12 3HZ LYS 12 5.672 1.702 3.477
74 HZ2 LYS 12 1HZ LYS 12 6.664 0.675 2.604
75 HZ3 LYS 12 2HZ LYS 12 5.959 0.142 4.013
76 H GLN 13 H GLN 13 -0.403 4.037 2.556
77 HA GLN 13 HA GLN 13 0.571 5.620 0.466
78 HB2 GLN 13 2HB GLN 13 -2.190 5.604 1.694
79 HB3 GLN 13 1HB GLN 13 -1.765 6.272 0.120
80 HG2 GLN 13 2HG GLN 13 -2.007 3.415 0.986
81 HG3 GLN 13 1HG GLN 13 -2.747 4.229 -0.389
82 HE21 GLN 13 1HE2 GLN 13 -0.039 2.585 0.810
83 HE22 GLN 13 2HE2 GLN 13 0.858 2.406 -0.649
84 H CYS 14 H CYS 14 -0.503 6.268 3.739
85 HA CYS 14 HA CYS 14 -0.011 9.087 3.363
86 HB2 CYS 14 2HB CYS 14 -0.823 7.536 5.826
87 HB3 CYS 14 1HB CYS 14 -0.656 9.292 5.770
88 H GLU 15 H GLU 15 1.847 6.430 4.028
89 HA GLU 15 HA GLU 15 3.922 7.631 5.617
90 HB2 GLU 15 2HB GLU 15 3.495 5.214 5.535
91 HB3 GLU 15 1HB GLU 15 3.811 5.236 3.811
92 HG2 GLU 15 2HG GLU 15 6.145 5.806 4.265
93 HG3 GLU 15 1HG GLU 15 5.799 5.713 5.997
94 H GLU 16 H GLU 16 3.216 7.045 2.243
95 HA GLU 16 HA GLU 16 5.658 8.293 1.320
96 HB2 GLU 16 2HB GLU 16 3.288 7.209 -0.215
97 HB3 GLU 16 1HB GLU 16 4.823 7.710 -0.917
98 HG2 GLU 16 2HG GLU 16 5.954 5.961 0.367
99 HG3 GLU 16 1HG GLU 16 4.405 5.454 1.019
100 H GLY 17 H GLY 17 2.400 9.055 1.935
101 HA2 GLY 17 2HA GLY 17 1.440 11.168 2.094
102 HA3 GLY 17 1HA GLY 17 2.888 11.840 1.351
103 H ILE 18 H ILE 18 0.511 9.433 0.354
104 HA ILE 18 HA ILE 18 0.342 10.820 -2.216
105 HB ILE 18 HB ILE 18 -0.837 8.105 -1.531
106 HG12 ILE 18 2HG1 ILE 18 1.813 8.725 -2.872
107 HG13 ILE 18 1HG1 ILE 18 1.625 8.110 -1.237
108 HG21 ILE 18 1HG2 ILE 18 -0.862 7.826 -3.992
109 HG22 ILE 18 2HG2 ILE 18 -0.202 9.450 -4.176
110 HG23 ILE 18 3HG2 ILE 18 -1.812 9.227 -3.493
111 HD11 ILE 18 3HD1 ILE 18 2.258 6.348 -2.787
112 HD12 ILE 18 1HD1 ILE 18 0.827 6.680 -3.764
113 HD13 ILE 18 2HD1 ILE 18 0.649 6.054 -2.125
114 H GLY 19 H GLY 19 -2.158 8.942 -0.530
115 HA2 GLY 19 2HA GLY 19 -4.299 9.529 0.103
116 HA3 GLY 19 1HA GLY 19 -3.746 11.201 0.101
117 H HIS 20 H HIS 20 -3.522 9.150 -2.689
118 HA HIS 20 HA HIS 20 -5.594 10.758 -3.997
119 HB2 HIS 20 2HB HIS 20 -3.153 11.311 -4.562
120 HB3 HIS 20 1HB HIS 20 -3.078 9.707 -5.272
121 HD1 HIS 20 1HD HIS 20 -4.406 13.148 -5.889
122 HD2 HIS 20 2HD HIS 20 -4.444 9.420 -7.717
123 HE1 HIS 20 1HE HIS 20 -5.289 13.531 -8.210
124 H LYS 21 H LYS 21 -7.144 9.487 -4.860
125 HA LYS 21 HA LYS 21 -8.303 7.696 -5.637
126 HB2 LYS 21 2HB LYS 21 -5.578 6.441 -5.983
127 HB3 LYS 21 1HB LYS 21 -7.081 5.653 -6.436
128 HG2 LYS 21 2HG LYS 21 -7.516 7.256 -8.114
129 HG3 LYS 21 1HG LYS 21 -6.219 8.306 -7.541
130 HD2 LYS 21 2HD LYS 21 -5.577 7.065 -9.570
131 HD3 LYS 21 1HD LYS 21 -4.563 6.664 -8.188
132 HE2 LYS 21 2HE LYS 21 -5.877 4.608 -7.837
133 HE3 LYS 21 1HE LYS 21 -6.871 5.019 -9.235
134 HZ1 LYS 21 3HZ LYS 21 -4.948 4.830 -10.640
135 HZ2 LYS 21 1HZ LYS 21 -5.110 3.415 -9.733
136 HZ3 LYS 21 2HZ LYS 21 -3.949 4.553 -9.308
137 H TYR 22 H TYR 22 -7.225 8.062 -2.832
138 HA TYR 22 HA TYR 22 -8.067 5.410 -1.896
139 HB2 TYR 22 2HB TYR 22 -6.067 7.135 -0.387
140 HB3 TYR 22 1HB TYR 22 -6.476 5.448 -0.087
141 HD1 TYR 22 2HD TYR 22 -6.257 4.232 -2.710
142 HD2 TYR 22 1HD TYR 22 -3.749 7.207 -0.945
143 HE1 TYR 22 2HE TYR 22 -4.464 3.589 -4.187
144 HE2 TYR 22 1HE TYR 22 -1.973 6.592 -2.462
145 HH TYR 22 HH TYR 22 -1.320 4.462 -3.663
146 HA PRO 23 HA PRO 23 -10.877 8.778 -0.480
147 HB2 PRO 23 2HB PRO 23 -13.134 7.208 -0.406
148 HB3 PRO 23 1HB PRO 23 -12.543 8.023 -1.862
149 HG2 PRO 23 2HG PRO 23 -12.196 5.186 -1.042
150 HG3 PRO 23 1HG PRO 23 -12.587 5.862 -2.631
151 HD2 PRO 23 2HD PRO 23 -10.097 5.045 -1.968
152 HD3 PRO 23 1HD PRO 23 -10.371 6.393 -3.079
153 H PHE 24 H PHE 24 -10.429 5.583 0.630
154 HA PHE 24 HA PHE 24 -11.530 6.021 3.240
155 HB2 PHE 24 2HB PHE 24 -10.506 3.617 3.527
156 HB3 PHE 24 1HB PHE 24 -11.952 3.854 2.547
157 HD1 PHE 24 2HD PHE 24 -8.331 3.170 2.452
158 HD2 PHE 24 1HD PHE 24 -11.908 3.560 0.203
159 HE1 PHE 24 2HE PHE 24 -7.208 2.206 0.502
160 HE2 PHE 24 1HE PHE 24 -10.820 2.633 -1.744
161 HZ PHE 24 HZ PHE 24 -8.438 1.927 -1.619
162 H CYS 25 H CYS 25 -8.726 7.035 1.892
163 HA CYS 25 HA CYS 25 -7.352 6.977 4.476
164 HB2 CYS 25 2HB CYS 25 -5.979 6.489 1.835
165 HB3 CYS 25 1HB CYS 25 -5.228 6.537 3.422
166 H HIS 26 H HIS 26 -7.872 9.148 4.835
167 HA HIS 26 HA HIS 26 -6.781 10.934 2.824
168 HB2 HIS 26 2HB HIS 26 -7.743 12.813 4.008
169 HB3 HIS 26 1HB HIS 26 -8.983 11.596 3.843
170 HD1 HIS 26 1HD HIS 26 -10.154 10.907 5.994
171 HD2 HIS 26 2HD HIS 26 -6.667 13.048 6.542
172 HE1 HIS 26 1HE HIS 26 -10.096 11.477 8.444
173 H CYS 27 H CYS 27 -4.912 11.561 2.786
174 HA CYS 27 HA CYS 27 -3.223 11.154 5.122
175 HB2 CYS 27 2HB CYS 27 -2.518 11.825 2.262
176 HB3 CYS 27 1HB CYS 27 -1.360 11.490 3.545
177 H ARG 28 H ARG 28 -5.180 13.316 4.383
178 HA ARG 28 HA ARG 28 -3.767 15.811 4.413
179 HB2 ARG 28 2HB ARG 28 -6.641 15.203 5.138
180 HB3 ARG 28 1HB ARG 28 -5.973 16.789 4.784
181 HG2 ARG 28 2HG ARG 28 -5.594 16.180 2.494
182 HG3 ARG 28 1HG ARG 28 -6.057 14.512 2.845
183 HD2 ARG 28 2HD ARG 28 -7.864 15.671 1.746
184 HD3 ARG 28 1HD ARG 28 -8.305 15.248 3.391
185 HE ARG 28 HE ARG 28 -7.525 17.697 3.804
186 HH11 ARG 28 1HH1 ARG 28 -9.278 16.552 0.960
187 HH12 ARG 28 2HH1 ARG 28 -10.239 17.946 0.812
188 HH21 ARG 28 1HH2 ARG 28 -8.799 19.599 3.607
189 HH22 ARG 28 2HH2 ARG 28 -9.963 19.726 2.357
190 HN1 NH2 29 1H ARG 28 -2.462 15.953 6.146
191 HN2 NH2 29 2H ARG 28 -2.956 15.793 7.793
Start of MODEL 4
1 H1 HIS 1 1HT HIS 1 9.780 -0.828 -10.206
2 H2 HIS 1 2HT HIS 1 10.049 -2.486 -10.459
3 H3 HIS 1 3HT HIS 1 10.988 -1.657 -9.368
4 HA HIS 1 HA HIS 1 9.202 -1.343 -7.878
5 HB2 HIS 1 2HB HIS 1 7.570 -2.897 -9.916
6 HB3 HIS 1 1HB HIS 1 7.025 -2.459 -8.308
7 HD1 HIS 1 1HD HIS 1 6.659 -1.417 -11.697
8 HD2 HIS 1 2HD HIS 1 7.075 0.565 -8.060
9 HE1 HIS 1 1HE HIS 1 5.765 0.885 -12.066
10 H GLY 2 H GLY 2 9.100 -2.833 -6.234
11 HA2 GLY 2 2HA GLY 2 9.656 -5.623 -6.839
12 HA3 GLY 2 1HA GLY 2 10.726 -4.751 -5.734
13 H GLU 3 H GLU 3 7.315 -5.255 -6.330
14 HA GLU 3 HA GLU 3 6.774 -4.663 -3.533
15 HB2 GLU 3 2HB GLU 3 4.815 -5.038 -5.787
16 HB3 GLU 3 1HB GLU 3 4.514 -4.305 -4.218
17 HG2 GLU 3 2HG GLU 3 6.284 -3.192 -6.388
18 HG3 GLU 3 1HG GLU 3 4.675 -2.617 -5.963
19 H GLY 4 H GLY 4 5.246 -6.017 -2.401
20 HA2 GLY 4 2HA GLY 4 5.677 -8.806 -3.130
21 HA3 GLY 4 1HA GLY 4 5.390 -8.221 -1.493
22 H THR 5 H THR 5 3.480 -8.713 -0.763
23 HA THR 5 HA THR 5 1.435 -9.681 -2.491
24 HB THR 5 HB THR 5 1.526 -9.199 0.473
25 HG1 THR 5 1HG THR 5 2.845 -10.852 -0.413
26 HG21 THR 5 3HG2 THR 5 -0.638 -10.561 -1.164
27 HG22 THR 5 1HG2 THR 5 -0.806 -9.072 -0.243
28 HG23 THR 5 2HG2 THR 5 -0.536 -10.598 0.598
29 H PHE 6 H PHE 6 1.594 -6.921 -0.220
30 HA PHE 6 HA PHE 6 -0.360 -5.647 -1.923
31 HB2 PHE 6 2HB PHE 6 -1.390 -6.929 0.075
32 HB3 PHE 6 1HB PHE 6 -0.692 -5.646 1.055
33 HD1 PHE 6 1HD PHE 6 -2.980 -6.334 -1.724
34 HD2 PHE 6 2HD PHE 6 -1.779 -3.585 1.258
35 HE1 PHE 6 1HE PHE 6 -4.982 -4.988 -2.185
36 HE2 PHE 6 2HE PHE 6 -3.784 -2.218 0.809
37 HZ PHE 6 HZ PHE 6 -5.386 -2.924 -0.916
38 H THR 7 H THR 7 0.353 -3.741 -2.328
39 HA THR 7 HA THR 7 2.143 -2.441 -0.407
40 HB THR 7 HB THR 7 3.258 -3.221 -2.462
41 HG1 THR 7 1HG THR 7 4.229 -1.269 -2.981
42 HG21 THR 7 3HG2 THR 7 1.415 -3.090 -4.027
43 HG22 THR 7 1HG2 THR 7 2.761 -2.121 -4.628
44 HG23 THR 7 2HG2 THR 7 1.365 -1.338 -3.875
45 H SER 8 H SER 8 -0.830 -2.432 -1.711
46 HA SER 8 HA SER 8 -1.177 0.396 -2.165
47 HB2 SER 8 2HB SER 8 -3.228 -1.822 -2.129
48 HB3 SER 8 1HB SER 8 -3.380 -0.235 -2.889
49 HG SER 8 HG SER 8 -2.152 -0.842 -4.494
50 H ASP 9 H ASP 9 -0.599 -0.953 0.524
51 HA ASP 9 HA ASP 9 -2.789 -0.832 2.276
52 HB2 ASP 9 2HB ASP 9 0.104 -0.474 2.677
53 HB3 ASP 9 1HB ASP 9 -1.017 -0.537 4.039
54 H CYS 10 H CYS 10 -3.688 0.717 3.386
55 HA CYS 10 HA CYS 10 -3.595 3.345 2.499
56 HB2 CYS 10 2HB CYS 10 -5.484 2.113 3.657
57 HB3 CYS 10 1HB CYS 10 -4.648 2.454 5.172
58 H SER 11 H SER 11 -2.051 1.778 5.227
59 HA SER 11 HA SER 11 -1.128 4.062 6.562
60 HB2 SER 11 2HB SER 11 0.114 1.304 6.486
61 HB3 SER 11 1HB SER 11 0.353 2.529 7.736
62 HG SER 11 HG SER 11 -1.903 2.449 8.091
63 H LYS 12 H LYS 12 0.144 2.285 3.833
64 HA LYS 12 HA LYS 12 2.733 3.556 3.835
65 HB2 LYS 12 2HB LYS 12 1.285 2.037 1.663
66 HB3 LYS 12 1HB LYS 12 3.000 2.441 1.682
67 HG2 LYS 12 2HG LYS 12 3.345 1.055 3.615
68 HG3 LYS 12 1HG LYS 12 1.621 0.727 3.716
69 HD2 LYS 12 2HD LYS 12 1.746 -0.352 1.490
70 HD3 LYS 12 1HD LYS 12 3.489 -0.065 1.514
71 HE2 LYS 12 2HE LYS 12 3.750 -1.375 3.499
72 HE3 LYS 12 1HE LYS 12 1.993 -1.509 3.625
73 HZ1 LYS 12 3HZ LYS 12 3.181 -3.524 2.748
74 HZ2 LYS 12 1HZ LYS 12 3.518 -2.675 1.343
75 HZ3 LYS 12 2HZ LYS 12 1.902 -3.003 1.822
76 H GLN 13 H GLN 13 -0.314 3.866 2.191
77 HA GLN 13 HA GLN 13 0.339 5.833 0.322
78 HB2 GLN 13 2HB GLN 13 -2.327 5.782 1.722
79 HB3 GLN 13 1HB GLN 13 -1.974 6.279 0.074
80 HG2 GLN 13 2HG GLN 13 -1.881 3.477 1.167
81 HG3 GLN 13 1HG GLN 13 -3.115 4.151 0.116
82 HE21 GLN 13 1HE2 GLN 13 -2.732 2.463 -1.290
83 HE22 GLN 13 2HE2 GLN 13 -1.328 2.412 -2.302
84 H CYS 14 H CYS 14 -0.820 6.241 3.653
85 HA CYS 14 HA CYS 14 -0.538 9.068 3.435
86 HB2 CYS 14 2HB CYS 14 -1.175 7.321 5.800
87 HB3 CYS 14 1HB CYS 14 -1.009 9.072 5.926
88 H GLU 15 H GLU 15 1.533 6.509 4.531
89 HA GLU 15 HA GLU 15 3.416 8.130 5.869
90 HB2 GLU 15 2HB GLU 15 3.344 5.744 6.209
91 HB3 GLU 15 1HB GLU 15 3.645 5.453 4.506
92 HG2 GLU 15 2HG GLU 15 5.841 6.305 4.690
93 HG3 GLU 15 1HG GLU 15 5.592 6.753 6.389
94 H GLU 16 H GLU 16 3.033 7.136 2.526
95 HA GLU 16 HA GLU 16 5.417 8.466 1.647
96 HB2 GLU 16 2HB GLU 16 3.057 7.335 0.148
97 HB3 GLU 16 1HB GLU 16 4.492 7.991 -0.625
98 HG2 GLU 16 2HG GLU 16 4.470 5.652 1.274
99 HG3 GLU 16 1HG GLU 16 4.485 5.524 -0.483
100 H GLY 17 H GLY 17 2.183 9.279 2.239
101 HA2 GLY 17 2HA GLY 17 1.299 11.408 2.453
102 HA3 GLY 17 1HA GLY 17 2.745 12.062 1.688
103 H ILE 18 H ILE 18 0.471 9.610 0.597
104 HA ILE 18 HA ILE 18 0.123 11.215 -1.819
105 HB ILE 18 HB ILE 18 -0.647 8.296 -1.517
106 HG12 ILE 18 2HG1 ILE 18 1.915 9.406 -2.674
107 HG13 ILE 18 1HG1 ILE 18 1.790 8.654 -1.087
108 HG21 ILE 18 1HG2 ILE 18 -0.484 8.348 -3.990
109 HG22 ILE 18 2HG2 ILE 18 -0.123 10.072 -3.915
110 HG23 ILE 18 3HG2 ILE 18 -1.694 9.474 -3.382
111 HD11 ILE 18 3HD1 ILE 18 2.654 7.109 -2.739
112 HD12 ILE 18 1HD1 ILE 18 1.201 7.340 -3.718
113 HD13 ILE 18 2HD1 ILE 18 1.079 6.578 -2.132
114 H GLY 19 H GLY 19 -2.040 8.704 -0.538
115 HA2 GLY 19 2HA GLY 19 -4.237 8.807 0.209
116 HA3 GLY 19 1HA GLY 19 -4.071 10.550 0.332
117 H HIS 20 H HIS 20 -3.102 10.088 -2.601
118 HA HIS 20 HA HIS 20 -5.540 10.976 -3.801
119 HB2 HIS 20 2HB HIS 20 -3.280 11.915 -4.298
120 HB3 HIS 20 1HB HIS 20 -2.841 10.373 -5.010
121 HD1 HIS 20 1HD HIS 20 -4.924 13.450 -5.664
122 HD2 HIS 20 2HD HIS 20 -3.732 9.957 -7.576
123 HE1 HIS 20 1HE HIS 20 -5.487 13.775 -8.082
124 H LYS 21 H LYS 21 -7.014 9.658 -4.565
125 HA LYS 21 HA LYS 21 -8.096 7.953 -5.571
126 HB2 LYS 21 2HB LYS 21 -5.365 6.877 -6.291
127 HB3 LYS 21 1HB LYS 21 -6.879 6.154 -6.809
128 HG2 LYS 21 2HG LYS 21 -7.437 8.198 -8.021
129 HG3 LYS 21 1HG LYS 21 -5.915 8.919 -7.487
130 HD2 LYS 21 2HD LYS 21 -4.669 7.174 -8.654
131 HD3 LYS 21 1HD LYS 21 -6.184 6.424 -9.159
132 HE2 LYS 21 2HE LYS 21 -6.760 8.431 -10.418
133 HE3 LYS 21 1HE LYS 21 -5.256 9.193 -9.903
134 HZ1 LYS 21 3HZ LYS 21 -4.040 7.459 -11.074
135 HZ2 LYS 21 1HZ LYS 21 -5.073 8.279 -12.119
136 HZ3 LYS 21 2HZ LYS 21 -5.465 6.732 -11.557
137 H TYR 22 H TYR 22 -6.859 7.933 -2.804
138 HA TYR 22 HA TYR 22 -7.619 5.159 -2.260
139 HB2 TYR 22 2HB TYR 22 -5.590 6.695 -0.602
140 HB3 TYR 22 1HB TYR 22 -5.917 4.964 -0.565
141 HD1 TYR 22 2HD TYR 22 -5.761 4.102 -3.279
142 HD2 TYR 22 1HD TYR 22 -3.446 7.075 -1.348
143 HE1 TYR 22 2HE TYR 22 -4.023 3.792 -4.944
144 HE2 TYR 22 1HE TYR 22 -1.691 6.817 -3.034
145 HH TYR 22 HH TYR 22 -0.896 5.056 -4.603
146 HA PRO 23 HA PRO 23 -10.560 8.213 -0.584
147 HB2 PRO 23 2HB PRO 23 -12.671 6.492 -0.388
148 HB3 PRO 23 1HB PRO 23 -12.146 7.250 -1.899
149 HG2 PRO 23 2HG PRO 23 -11.551 4.508 -0.891
150 HG3 PRO 23 1HG PRO 23 -12.047 5.035 -2.512
151 HD2 PRO 23 2HD PRO 23 -9.500 4.478 -1.890
152 HD3 PRO 23 1HD PRO 23 -9.919 5.737 -3.065
153 H PHE 24 H PHE 24 -9.628 5.266 0.800
154 HA PHE 24 HA PHE 24 -10.883 5.772 3.350
155 HB2 PHE 24 2HB PHE 24 -9.473 3.540 3.794
156 HB3 PHE 24 1HB PHE 24 -11.038 3.523 2.983
157 HD1 PHE 24 1HD PHE 24 -7.380 3.338 2.470
158 HD2 PHE 24 2HD PHE 24 -11.239 2.930 0.727
159 HE1 PHE 24 1HE PHE 24 -6.381 2.299 0.482
160 HE2 PHE 24 2HE PHE 24 -10.266 1.918 -1.250
161 HZ PHE 24 HZ PHE 24 -7.826 1.582 -1.389
162 H CYS 25 H CYS 25 -8.131 6.778 1.853
163 HA CYS 25 HA CYS 25 -6.581 6.856 4.330
164 HB2 CYS 25 2HB CYS 25 -5.683 7.249 1.482
165 HB3 CYS 25 1HB CYS 25 -4.649 7.266 2.908
166 H HIS 26 H HIS 26 -7.014 8.697 5.337
167 HA HIS 26 HA HIS 26 -7.192 11.110 3.709
168 HB2 HIS 26 2HB HIS 26 -7.909 10.619 6.630
169 HB3 HIS 26 1HB HIS 26 -8.014 12.182 5.838
170 HD1 HIS 26 1HD HIS 26 -10.520 12.599 5.740
171 HD2 HIS 26 2HD HIS 26 -9.514 8.740 4.567
172 HE1 HIS 26 1HE HIS 26 -12.652 11.540 4.940
173 H CYS 27 H CYS 27 -5.166 11.609 3.302
174 HA CYS 27 HA CYS 27 -3.233 11.344 5.458
175 HB2 CYS 27 2HB CYS 27 -2.645 11.830 2.541
176 HB3 CYS 27 1HB CYS 27 -1.517 11.295 3.783
177 H ARG 28 H ARG 28 -4.950 13.451 3.757
178 HA ARG 28 HA ARG 28 -5.075 15.669 3.391
179 HB2 ARG 28 2HB ARG 28 -5.659 15.254 5.775
180 HB3 ARG 28 1HB ARG 28 -4.028 15.751 6.193
181 HG2 ARG 28 2HG ARG 28 -5.595 17.485 6.568
182 HG3 ARG 28 1HG ARG 28 -4.461 17.948 5.283
183 HD2 ARG 28 2HD ARG 28 -7.191 16.785 4.761
184 HD3 ARG 28 1HD ARG 28 -6.940 18.530 4.914
185 HE ARG 28 HE ARG 28 -5.218 17.983 3.009
186 HH11 ARG 28 1HH1 ARG 28 -8.562 16.883 3.318
187 HH12 ARG 28 2HH1 ARG 28 -8.757 16.592 1.647
188 HH21 ARG 28 1HH2 ARG 28 -5.509 17.629 0.758
189 HH22 ARG 28 2HH2 ARG 28 -6.993 17.052 0.150
190 HN1 NH2 29 1H ARG 28 -3.437 15.817 1.829
191 HN2 NH2 29 2H ARG 28 -1.955 16.639 2.189
Start of MODEL 5
1 H1 HIS 1 1HT HIS 1 3.731 -13.547 -3.912
2 H2 HIS 1 2HT HIS 1 3.712 -11.916 -4.350
3 H3 HIS 1 3HT HIS 1 2.451 -12.565 -3.423
4 HA HIS 1 HA HIS 1 5.257 -12.372 -2.561
5 HB2 HIS 1 2HB HIS 1 2.826 -10.772 -1.729
6 HB3 HIS 1 1HB HIS 1 4.394 -10.688 -0.947
7 HD1 HIS 1 1HD HIS 1 6.401 -9.826 -2.688
8 HD2 HIS 1 2HD HIS 1 2.453 -8.989 -3.650
9 HE1 HIS 1 1HE HIS 1 6.491 -7.989 -4.392
10 H GLY 2 H GLY 2 5.720 -13.595 -0.834
11 HA2 GLY 2 2HA GLY 2 3.809 -15.434 0.201
12 HA3 GLY 2 1HA GLY 2 5.421 -15.137 0.855
13 H GLU 3 H GLU 3 5.239 -12.463 1.314
14 HA GLU 3 HA GLU 3 2.856 -11.933 2.848
15 HB2 GLU 3 2HB GLU 3 4.533 -12.849 4.471
16 HB3 GLU 3 1HB GLU 3 5.643 -11.570 3.994
17 HG2 GLU 3 2HG GLU 3 4.089 -9.892 4.798
18 HG3 GLU 3 1HG GLU 3 2.936 -11.148 5.226
19 H GLY 4 H GLY 4 2.589 -9.614 3.113
20 HA2 GLY 4 2HA GLY 4 3.018 -7.382 2.533
21 HA3 GLY 4 1HA GLY 4 4.455 -7.918 1.661
22 H THR 5 H THR 5 1.139 -8.964 1.492
23 HA THR 5 HA THR 5 1.157 -9.273 -1.315
24 HB THR 5 HB THR 5 -1.184 -9.167 0.586
25 HG1 THR 5 1HG THR 5 -0.262 -11.653 -0.046
26 HG21 THR 5 3HG2 THR 5 -0.793 -10.617 -2.054
27 HG22 THR 5 1HG2 THR 5 -1.794 -9.184 -1.803
28 HG23 THR 5 2HG2 THR 5 -2.230 -10.708 -1.033
29 H PHE 6 H PHE 6 0.225 -6.705 0.879
30 HA PHE 6 HA PHE 6 -0.831 -5.279 -1.428
31 HB2 PHE 6 2HB PHE 6 -2.442 -6.088 0.456
32 HB3 PHE 6 1HB PHE 6 -1.767 -4.716 1.338
33 HD1 PHE 6 2HD PHE 6 -3.011 -5.407 -2.085
34 HD2 PHE 6 1HD PHE 6 -3.053 -2.801 1.262
35 HE1 PHE 6 2HE PHE 6 -4.583 -3.978 -3.255
36 HE2 PHE 6 1HE PHE 6 -4.657 -1.335 0.096
37 HZ PHE 6 HZ PHE 6 -5.428 -1.918 -2.172
38 H THR 7 H THR 7 0.721 -3.972 -1.927
39 HA THR 7 HA THR 7 2.244 -2.597 0.139
40 HB THR 7 HB THR 7 3.422 -3.596 -1.870
41 HG1 THR 7 1HG THR 7 4.755 -2.180 -1.122
42 HG21 THR 7 3HG2 THR 7 1.772 -3.052 -3.587
43 HG22 THR 7 1HG2 THR 7 3.339 -2.364 -4.016
44 HG23 THR 7 2HG2 THR 7 2.068 -1.331 -3.354
45 H SER 8 H SER 8 -0.440 -2.186 -1.891
46 HA SER 8 HA SER 8 -0.413 0.676 -1.890
47 HB2 SER 8 2HB SER 8 -2.571 -1.289 -2.687
48 HB3 SER 8 1HB SER 8 -2.538 0.434 -3.073
49 HG SER 8 HG SER 8 -0.657 0.082 -4.289
50 H ASP 9 H ASP 9 -0.399 -0.828 0.595
51 HA ASP 9 HA ASP 9 -2.771 -0.871 2.089
52 HB2 ASP 9 2HB ASP 9 -0.572 -1.857 2.715
53 HB3 ASP 9 1HB ASP 9 -0.043 -0.188 2.974
54 H CYS 10 H CYS 10 -3.812 0.639 3.290
55 HA CYS 10 HA CYS 10 -3.787 3.278 2.474
56 HB2 CYS 10 2HB CYS 10 -5.677 2.032 3.611
57 HB3 CYS 10 1HB CYS 10 -4.854 2.364 5.135
58 H SER 11 H SER 11 -2.005 1.783 5.180
59 HA SER 11 HA SER 11 -1.449 4.278 6.390
60 HB2 SER 11 2HB SER 11 -0.067 1.617 6.726
61 HB3 SER 11 1HB SER 11 0.154 3.020 7.772
62 HG SER 11 HG SER 11 -2.457 2.074 7.339
63 H LYS 12 H LYS 12 0.081 2.283 4.011
64 HA LYS 12 HA LYS 12 2.562 3.636 3.982
65 HB2 LYS 12 2HB LYS 12 1.253 1.981 1.848
66 HB3 LYS 12 1HB LYS 12 2.949 2.468 1.878
67 HG2 LYS 12 2HG LYS 12 3.283 1.291 3.926
68 HG3 LYS 12 1HG LYS 12 1.581 0.852 3.976
69 HD2 LYS 12 2HD LYS 12 1.910 -0.330 1.818
70 HD3 LYS 12 1HD LYS 12 3.643 -0.011 1.983
71 HE2 LYS 12 2HE LYS 12 1.961 -1.226 4.038
72 HE3 LYS 12 1HE LYS 12 2.853 -2.243 2.872
73 HZ1 LYS 12 3HZ LYS 12 4.916 -1.138 3.786
74 HZ2 LYS 12 1HZ LYS 12 4.095 -2.033 4.958
75 HZ3 LYS 12 2HZ LYS 12 3.963 -0.358 4.916
76 H GLN 13 H GLN 13 -0.450 3.901 2.251
77 HA GLN 13 HA GLN 13 0.373 5.815 0.372
78 HB2 GLN 13 2HB GLN 13 -2.411 5.653 1.503
79 HB3 GLN 13 1HB GLN 13 -1.926 6.239 -0.082
80 HG2 GLN 13 2HG GLN 13 -1.891 3.404 0.918
81 HG3 GLN 13 1HG GLN 13 -2.915 4.092 -0.331
82 HE21 GLN 13 1HE2 GLN 13 -2.260 2.533 -1.757
83 HE22 GLN 13 2HE2 GLN 13 -0.674 2.484 -2.449
84 H CYS 14 H CYS 14 -0.826 6.163 3.638
85 HA CYS 14 HA CYS 14 -0.786 9.007 3.578
86 HB2 CYS 14 2HB CYS 14 -0.782 7.064 5.890
87 HB3 CYS 14 1HB CYS 14 -0.915 8.813 6.063
88 H GLU 15 H GLU 15 1.501 6.489 4.432
89 HA GLU 15 HA GLU 15 3.501 8.105 5.587
90 HB2 GLU 15 2HB GLU 15 3.388 5.688 5.859
91 HB3 GLU 15 1HB GLU 15 3.609 5.468 4.134
92 HG2 GLU 15 2HG GLU 15 5.842 6.350 4.289
93 HG3 GLU 15 1HG GLU 15 5.636 6.616 6.025
94 H GLU 16 H GLU 16 2.834 7.090 2.280
95 HA GLU 16 HA GLU 16 5.104 8.363 1.111
96 HB2 GLU 16 2HB GLU 16 2.464 7.512 -0.107
97 HB3 GLU 16 1HB GLU 16 3.847 8.068 -1.028
98 HG2 GLU 16 2HG GLU 16 3.770 5.590 0.685
99 HG3 GLU 16 1HG GLU 16 3.574 5.627 -1.062
100 H GLY 17 H GLY 17 1.938 9.315 2.074
101 HA2 GLY 17 2HA GLY 17 1.092 11.444 2.343
102 HA3 GLY 17 1HA GLY 17 2.520 12.087 1.536
103 H ILE 18 H ILE 18 0.433 9.581 0.295
104 HA ILE 18 HA ILE 18 -0.127 11.344 -1.976
105 HB ILE 18 HB ILE 18 -0.538 8.323 -1.863
106 HG12 ILE 18 2HG1 ILE 18 1.696 9.879 -3.167
107 HG13 ILE 18 1HG1 ILE 18 1.849 8.934 -1.683
108 HG21 ILE 18 1HG2 ILE 18 -0.645 8.525 -4.335
109 HG22 ILE 18 2HG2 ILE 18 -0.585 10.280 -4.173
110 HG23 ILE 18 3HG2 ILE 18 -1.954 9.377 -3.528
111 HD11 ILE 18 3HD1 ILE 18 1.314 6.911 -2.935
112 HD12 ILE 18 1HD1 ILE 18 2.725 7.727 -3.613
113 HD13 ILE 18 2HD1 ILE 18 1.150 7.866 -4.405
114 H GLY 19 H GLY 19 -1.996 8.580 -0.781
115 HA2 GLY 19 2HA GLY 19 -4.152 8.463 0.065
116 HA3 GLY 19 1HA GLY 19 -4.141 10.210 0.215
117 H HIS 20 H HIS 20 -3.288 9.991 -2.781
118 HA HIS 20 HA HIS 20 -5.916 10.434 -3.855
119 HB2 HIS 20 2HB HIS 20 -3.903 11.776 -4.479
120 HB3 HIS 20 1HB HIS 20 -3.246 10.299 -5.191
121 HD1 HIS 20 1HD HIS 20 -3.544 10.278 -7.696
122 HD2 HIS 20 2HD HIS 20 -6.589 12.329 -5.758
123 HE1 HIS 20 1HE HIS 20 -5.087 11.103 -9.512
124 H LYS 21 H LYS 21 -7.110 8.940 -4.738
125 HA LYS 21 HA LYS 21 -7.869 7.108 -5.810
126 HB2 LYS 21 2HB LYS 21 -4.988 6.229 -6.183
127 HB3 LYS 21 1HB LYS 21 -6.395 5.438 -6.871
128 HG2 LYS 21 2HG LYS 21 -6.867 7.462 -8.181
129 HG3 LYS 21 1HG LYS 21 -5.417 8.214 -7.518
130 HD2 LYS 21 2HD LYS 21 -4.865 7.346 -9.688
131 HD3 LYS 21 1HD LYS 21 -4.090 6.329 -8.481
132 HE2 LYS 21 2HE LYS 21 -5.071 4.969 -10.249
133 HE3 LYS 21 1HE LYS 21 -5.881 4.666 -8.722
134 HZ1 LYS 21 3HZ LYS 21 -7.699 6.131 -9.463
135 HZ2 LYS 21 1HZ LYS 21 -7.446 4.861 -10.533
136 HZ3 LYS 21 2HZ LYS 21 -6.903 6.392 -10.925
137 H TYR 22 H TYR 22 -6.848 7.513 -3.025
138 HA TYR 22 HA TYR 22 -7.459 4.792 -2.169
139 HB2 TYR 22 2HB TYR 22 -5.559 6.624 -0.660
140 HB3 TYR 22 1HB TYR 22 -5.789 4.893 -0.431
141 HD1 TYR 22 2HD TYR 22 -5.422 3.618 -2.860
142 HD2 TYR 22 1HD TYR 22 -3.507 7.154 -1.564
143 HE1 TYR 22 2HE TYR 22 -3.644 3.207 -4.466
144 HE2 TYR 22 1HE TYR 22 -1.714 6.821 -3.201
145 HH TYR 22 HH TYR 22 -0.688 4.868 -4.434
146 HA PRO 23 HA PRO 23 -10.574 7.954 -1.103
147 HB2 PRO 23 2HB PRO 23 -12.654 6.233 -0.790
148 HB3 PRO 23 1HB PRO 23 -12.074 6.794 -2.360
149 HG2 PRO 23 2HG PRO 23 -11.486 4.232 -0.941
150 HG3 PRO 23 1HG PRO 23 -11.881 4.504 -2.646
151 HD2 PRO 23 2HD PRO 23 -9.352 4.110 -1.807
152 HD3 PRO 23 1HD PRO 23 -9.719 5.187 -3.161
153 H PHE 24 H PHE 24 -9.282 5.678 0.912
154 HA PHE 24 HA PHE 24 -10.805 6.755 3.156
155 HB2 PHE 24 2HB PHE 24 -10.168 4.452 4.267
156 HB3 PHE 24 1HB PHE 24 -11.560 4.575 3.196
157 HD1 PHE 24 2HD PHE 24 -8.044 3.461 3.417
158 HD2 PHE 24 1HD PHE 24 -11.638 3.437 1.148
159 HE1 PHE 24 2HE PHE 24 -7.104 1.747 1.933
160 HE2 PHE 24 1HE PHE 24 -10.712 1.745 -0.334
161 HZ PHE 24 HZ PHE 24 -8.432 0.887 0.052
162 H CYS 25 H CYS 25 -8.062 7.239 1.765
163 HA CYS 25 HA CYS 25 -6.499 7.136 4.242
164 HB2 CYS 25 2HB CYS 25 -5.425 7.178 1.426
165 HB3 CYS 25 1HB CYS 25 -4.501 6.976 2.909
166 H HIS 26 H HIS 26 -7.448 9.151 4.814
167 HA HIS 26 HA HIS 26 -6.406 11.402 3.273
168 HB2 HIS 26 2HB HIS 26 -8.710 11.284 5.232
169 HB3 HIS 26 1HB HIS 26 -8.108 12.764 4.492
170 HD1 HIS 26 1HD HIS 26 -10.230 9.766 3.802
171 HD2 HIS 26 2HD HIS 26 -8.722 13.070 1.784
172 HE1 HIS 26 1HE HIS 26 -11.462 9.861 1.614
173 H CYS 27 H CYS 27 -4.463 11.759 4.068
174 HA CYS 27 HA CYS 27 -4.231 12.102 6.974
175 HB2 CYS 27 2HB CYS 27 -2.317 10.654 5.152
176 HB3 CYS 27 1HB CYS 27 -2.054 11.022 6.857
177 H ARG 28 H ARG 28 -4.563 13.953 4.812
178 HA ARG 28 HA ARG 28 -2.063 15.228 4.232
179 HB2 ARG 28 2HB ARG 28 -4.871 16.290 3.926
180 HB3 ARG 28 1HB ARG 28 -3.424 16.936 3.165
181 HG2 ARG 28 2HG ARG 28 -3.158 14.877 1.899
182 HG3 ARG 28 1HG ARG 28 -4.586 14.216 2.697
183 HD2 ARG 28 2HD ARG 28 -4.500 16.617 0.897
184 HD3 ARG 28 1HD ARG 28 -5.128 15.007 0.511
185 HE ARG 28 HE ARG 28 -6.356 16.284 2.779
186 HH11 ARG 28 1HH1 ARG 28 -6.550 15.840 -0.746
187 HH12 ARG 28 2HH1 ARG 28 -8.220 16.181 -0.799
188 HH21 ARG 28 1HH2 ARG 28 -8.581 16.762 2.658
189 HH22 ARG 28 2HH2 ARG 28 -9.398 16.741 1.161
190 HN1 NH2 29 1H ARG 28 -4.912 16.661 5.765
191 HN2 NH2 29 2H ARG 28 -4.037 17.507 6.994
Start of MODEL 6
1 H1 HIS 1 1HT HIS 1 -7.088 -9.521 8.049
2 H2 HIS 1 2HT HIS 1 -7.699 -8.794 6.630
3 H3 HIS 1 3HT HIS 1 -6.395 -8.121 7.408
4 HA HIS 1 HA HIS 1 -4.979 -9.850 6.876
5 HB2 HIS 1 2HB HIS 1 -7.420 -11.152 5.636
6 HB3 HIS 1 1HB HIS 1 -5.778 -11.670 5.288
7 HD1 HIS 1 1HD HIS 1 -8.502 -12.587 7.382
8 HD2 HIS 1 2HD HIS 1 -4.392 -12.282 7.926
9 HE1 HIS 1 1HE HIS 1 -7.964 -13.981 9.394
10 H GLY 2 H GLY 2 -4.366 -10.468 4.404
11 HA2 GLY 2 2HA GLY 2 -4.327 -9.561 2.184
12 HA3 GLY 2 1HA GLY 2 -4.953 -8.043 2.833
13 H GLU 3 H GLU 3 -3.154 -8.588 5.157
14 HA GLU 3 HA GLU 3 -0.992 -6.927 4.484
15 HB2 GLU 3 2HB GLU 3 -1.984 -7.187 6.749
16 HB3 GLU 3 1HB GLU 3 -1.324 -8.811 6.818
17 HG2 GLU 3 2HG GLU 3 0.939 -7.832 6.593
18 HG3 GLU 3 1HG GLU 3 0.206 -6.232 6.713
19 H GLY 4 H GLY 4 0.773 -7.496 3.419
20 HA2 GLY 4 2HA GLY 4 2.691 -8.974 3.294
21 HA3 GLY 4 1HA GLY 4 1.558 -10.324 3.425
22 H THR 5 H THR 5 -0.411 -9.689 1.745
23 HA THR 5 HA THR 5 0.829 -10.087 -0.794
24 HB THR 5 HB THR 5 -2.096 -9.673 -0.103
25 HG1 THR 5 1HG THR 5 -1.015 -11.530 0.792
26 HG21 THR 5 3HG2 THR 5 -2.541 -10.701 -2.304
27 HG22 THR 5 1HG2 THR 5 -0.809 -10.737 -2.636
28 HG23 THR 5 2HG2 THR 5 -1.646 -9.192 -2.473
29 H PHE 6 H PHE 6 -1.085 -7.485 0.701
30 HA PHE 6 HA PHE 6 -0.205 -5.793 -1.514
31 HB2 PHE 6 2HB PHE 6 -2.717 -6.126 -0.834
32 HB3 PHE 6 1HB PHE 6 -2.307 -4.990 0.452
33 HD1 PHE 6 2HD PHE 6 -2.565 -5.461 -3.153
34 HD2 PHE 6 1HD PHE 6 -2.000 -2.657 -0.025
35 HE1 PHE 6 2HE PHE 6 -2.913 -3.662 -4.746
36 HE2 PHE 6 1HE PHE 6 -2.353 -0.812 -1.616
37 HZ PHE 6 HZ PHE 6 -2.810 -1.301 -3.986
38 H THR 7 H THR 7 1.572 -4.802 -0.977
39 HA THR 7 HA THR 7 2.155 -4.227 1.804
40 HB THR 7 HB THR 7 3.896 -5.313 0.390
41 HG1 THR 7 1HG THR 7 5.289 -4.415 1.614
42 HG21 THR 7 3HG2 THR 7 3.468 -4.170 -1.726
43 HG22 THR 7 1HG2 THR 7 5.155 -3.960 -1.251
44 HG23 THR 7 2HG2 THR 7 3.997 -2.645 -1.025
45 H SER 8 H SER 8 1.151 -2.585 -1.073
46 HA SER 8 HA SER 8 1.896 0.061 -0.199
47 HB2 SER 8 2HB SER 8 0.066 -0.864 -2.429
48 HB3 SER 8 1HB SER 8 0.735 0.758 -2.239
49 HG SER 8 HG SER 8 2.798 -0.704 -2.127
50 H ASP 9 H ASP 9 0.526 -1.099 1.755
51 HA ASP 9 HA ASP 9 -2.289 -0.907 1.874
52 HB2 ASP 9 2HB ASP 9 -1.045 -2.264 3.427
53 HB3 ASP 9 1HB ASP 9 -0.196 -0.851 4.047
54 H CYS 10 H CYS 10 -3.539 0.529 3.261
55 HA CYS 10 HA CYS 10 -3.582 3.162 2.616
56 HB2 CYS 10 2HB CYS 10 -5.408 1.844 3.660
57 HB3 CYS 10 1HB CYS 10 -4.554 1.943 5.196
58 H SER 11 H SER 11 -1.875 1.634 5.337
59 HA SER 11 HA SER 11 -1.161 3.901 6.778
60 HB2 SER 11 2HB SER 11 0.815 2.425 7.479
61 HB3 SER 11 1HB SER 11 -0.801 1.774 7.767
62 HG SER 11 HG SER 11 -0.584 0.401 6.125
63 H LYS 12 H LYS 12 0.423 2.342 4.073
64 HA LYS 12 HA LYS 12 2.678 4.069 3.961
65 HB2 LYS 12 2HB LYS 12 1.495 2.230 1.862
66 HB3 LYS 12 1HB LYS 12 2.954 3.167 1.601
67 HG2 LYS 12 2HG LYS 12 3.533 0.903 2.153
68 HG3 LYS 12 1HG LYS 12 4.021 1.963 3.473
69 HD2 LYS 12 2HD LYS 12 1.944 1.327 4.675
70 HD3 LYS 12 1HD LYS 12 1.585 0.193 3.370
71 HE2 LYS 12 2HE LYS 12 3.579 -0.987 3.792
72 HE3 LYS 12 1HE LYS 12 4.059 0.203 5.019
73 HZ1 LYS 12 3HZ LYS 12 2.153 -0.462 6.343
74 HZ2 LYS 12 1HZ LYS 12 3.138 -1.789 6.070
75 HZ3 LYS 12 2HZ LYS 12 1.699 -1.635 5.229
76 H GLN 13 H GLN 13 -0.262 3.780 2.094
77 HA GLN 13 HA GLN 13 -0.152 5.788 0.332
78 HB2 GLN 13 2HB GLN 13 -2.429 4.876 1.995
79 HB3 GLN 13 1HB GLN 13 -2.608 5.970 0.622
80 HG2 GLN 13 2HG GLN 13 -1.732 4.390 -0.874
81 HG3 GLN 13 1HG GLN 13 -1.224 3.333 0.442
82 HE21 GLN 13 1HE2 GLN 13 -2.346 1.682 -0.352
83 HE22 GLN 13 2HE2 GLN 13 -4.058 1.635 -0.244
84 H CYS 14 H CYS 14 -1.252 5.969 3.673
85 HA CYS 14 HA CYS 14 -1.773 8.701 3.807
86 HB2 CYS 14 2HB CYS 14 -1.456 6.529 5.810
87 HB3 CYS 14 1HB CYS 14 -1.579 8.191 6.365
88 H GLU 15 H GLU 15 1.125 6.872 4.866
89 HA GLU 15 HA GLU 15 2.318 9.245 5.872
90 HB2 GLU 15 2HB GLU 15 3.612 6.604 5.207
91 HB3 GLU 15 1HB GLU 15 4.375 7.906 6.111
92 HG2 GLU 15 2HG GLU 15 2.024 6.221 6.930
93 HG3 GLU 15 1HG GLU 15 3.619 6.292 7.674
94 H GLU 16 H GLU 16 2.480 7.580 2.811
95 HA GLU 16 HA GLU 16 4.529 9.135 1.618
96 HB2 GLU 16 2HB GLU 16 2.121 7.806 0.352
97 HB3 GLU 16 1HB GLU 16 3.492 8.441 -0.540
98 HG2 GLU 16 2HG GLU 16 3.606 6.164 1.432
99 HG3 GLU 16 1HG GLU 16 3.459 5.981 -0.310
100 H GLY 17 H GLY 17 1.115 9.600 2.177
101 HA2 GLY 17 2HA GLY 17 -0.109 11.552 2.222
102 HA3 GLY 17 1HA GLY 17 1.303 12.419 1.626
103 H ILE 18 H ILE 18 -0.222 9.619 0.211
104 HA ILE 18 HA ILE 18 -0.300 11.085 -2.298
105 HB ILE 18 HB ILE 18 -0.956 8.148 -1.830
106 HG12 ILE 18 2HG1 ILE 18 1.536 9.413 -2.934
107 HG13 ILE 18 1HG1 ILE 18 1.387 8.792 -1.289
108 HG21 ILE 18 1HG2 ILE 18 -1.962 9.021 -3.903
109 HG22 ILE 18 2HG2 ILE 18 -0.616 7.951 -4.279
110 HG23 ILE 18 3HG2 ILE 18 -0.405 9.696 -4.377
111 HD11 ILE 18 3HD1 ILE 18 1.003 6.562 -2.209
112 HD12 ILE 18 1HD1 ILE 18 2.551 7.226 -2.734
113 HD13 ILE 18 2HD1 ILE 18 1.172 7.214 -3.838
114 H GLY 19 H GLY 19 -2.635 8.811 -0.848
115 HA2 GLY 19 2HA GLY 19 -4.917 8.951 -0.568
116 HA3 GLY 19 1HA GLY 19 -4.764 10.686 -0.737
117 H HIS 20 H HIS 20 -3.413 9.588 -3.398
118 HA HIS 20 HA HIS 20 -5.559 10.387 -5.059
119 HB2 HIS 20 2HB HIS 20 -3.130 10.768 -5.605
120 HB3 HIS 20 1HB HIS 20 -2.982 9.041 -5.895
121 HD1 HIS 20 1HD HIS 20 -4.350 12.186 -7.424
122 HD2 HIS 20 2HD HIS 20 -4.068 8.131 -8.298
123 HE1 HIS 20 1HE HIS 20 -5.048 11.934 -9.837
124 H LYS 21 H LYS 21 -7.246 9.239 -5.415
125 HA LYS 21 HA LYS 21 -8.626 7.596 -5.927
126 HB2 LYS 21 2HB LYS 21 -6.171 5.973 -6.648
127 HB3 LYS 21 1HB LYS 21 -7.818 5.458 -6.948
128 HG2 LYS 21 2HG LYS 21 -6.385 7.804 -8.205
129 HG3 LYS 21 1HG LYS 21 -6.861 6.302 -8.993
130 HD2 LYS 21 2HD LYS 21 -8.735 8.377 -7.851
131 HD3 LYS 21 1HD LYS 21 -8.374 8.151 -9.558
132 HE2 LYS 21 2HE LYS 21 -9.371 5.953 -9.520
133 HE3 LYS 21 1HE LYS 21 -9.622 6.053 -7.783
134 HZ1 LYS 21 3HZ LYS 21 -11.147 7.935 -8.193
135 HZ2 LYS 21 1HZ LYS 21 -11.651 6.519 -8.962
136 HZ3 LYS 21 2HZ LYS 21 -10.928 7.733 -9.852
137 H TYR 22 H TYR 22 -7.215 7.950 -3.302
138 HA TYR 22 HA TYR 22 -8.110 5.402 -2.139
139 HB2 TYR 22 2HB TYR 22 -6.001 7.153 -0.832
140 HB3 TYR 22 1HB TYR 22 -6.413 5.489 -0.459
141 HD1 TYR 22 2HD TYR 22 -6.348 4.359 -3.223
142 HD2 TYR 22 1HD TYR 22 -3.662 6.992 -1.244
143 HE1 TYR 22 2HE TYR 22 -4.618 3.652 -4.691
144 HE2 TYR 22 1HE TYR 22 -1.878 6.324 -2.749
145 HH TYR 22 HH TYR 22 -1.299 4.349 -4.137
146 HA PRO 23 HA PRO 23 -10.713 9.005 -0.875
147 HB2 PRO 23 2HB PRO 23 -13.005 7.542 -0.550
148 HB3 PRO 23 1HB PRO 23 -12.478 8.197 -2.101
149 HG2 PRO 23 2HG PRO 23 -12.220 5.432 -1.035
150 HG3 PRO 23 1HG PRO 23 -12.603 5.972 -2.676
151 HD2 PRO 23 2HD PRO 23 -10.143 5.090 -1.946
152 HD3 PRO 23 1HD PRO 23 -10.378 6.302 -3.210
153 H PHE 24 H PHE 24 -10.088 6.034 0.628
154 HA PHE 24 HA PHE 24 -11.145 6.954 3.175
155 HB2 PHE 24 2HB PHE 24 -10.600 4.449 3.780
156 HB3 PHE 24 1HB PHE 24 -12.047 4.856 2.866
157 HD1 PHE 24 1HD PHE 24 -8.635 3.478 2.614
158 HD2 PHE 24 2HD PHE 24 -12.325 4.154 0.634
159 HE1 PHE 24 1HE PHE 24 -7.925 2.021 0.801
160 HE2 PHE 24 2HE PHE 24 -11.636 2.708 -1.196
161 HZ PHE 24 HZ PHE 24 -9.413 1.616 -1.132
162 H CYS 25 H CYS 25 -8.358 7.373 1.644
163 HA CYS 25 HA CYS 25 -6.852 7.128 4.120
164 HB2 CYS 25 2HB CYS 25 -5.768 6.286 1.430
165 HB3 CYS 25 1HB CYS 25 -4.884 6.300 2.950
166 H HIS 26 H HIS 26 -7.524 9.383 4.059
167 HA HIS 26 HA HIS 26 -5.706 11.000 2.420
168 HB2 HIS 26 2HB HIS 26 -8.192 11.861 3.945
169 HB3 HIS 26 1HB HIS 26 -7.140 12.940 3.047
170 HD1 HIS 26 1HD HIS 26 -10.322 12.107 2.602
171 HD2 HIS 26 2HD HIS 26 -7.005 11.220 0.254
172 HE1 HIS 26 1HE HIS 26 -11.204 11.694 0.283
173 H CYS 27 H CYS 27 -3.849 11.057 3.607
174 HA CYS 27 HA CYS 27 -4.095 12.080 6.334
175 HB2 CYS 27 2HB CYS 27 -2.268 9.836 5.539
176 HB3 CYS 27 1HB CYS 27 -2.486 10.483 7.155
177 H ARG 28 H ARG 28 -1.958 12.912 7.083
178 HA ARG 28 HA ARG 28 -0.298 13.707 4.832
179 HB2 ARG 28 2HB ARG 28 0.250 15.754 6.216
180 HB3 ARG 28 1HB ARG 28 -1.377 15.681 5.567
181 HG2 ARG 28 2HG ARG 28 -2.245 15.033 7.742
182 HG3 ARG 28 1HG ARG 28 -0.608 14.994 8.403
183 HD2 ARG 28 2HD ARG 28 -1.946 17.412 7.222
184 HD3 ARG 28 1HD ARG 28 -1.833 17.070 8.949
185 HE ARG 28 HE ARG 28 0.573 17.225 8.737
186 HH11 ARG 28 1HH1 ARG 28 -1.329 18.710 6.104
187 HH12 ARG 28 2HH1 ARG 28 -0.072 19.735 5.618
188 HH21 ARG 28 1HH2 ARG 28 2.259 18.711 8.049
189 HH22 ARG 28 2HH2 ARG 28 1.988 19.758 6.737
190 HN1 NH2 29 1H ARG 28 1.056 11.984 5.054
191 HN2 NH2 29 2H ARG 28 2.146 11.808 6.383
Start of MODEL 7
1 H1 HIS 1 1HT HIS 1 10.356 4.135 4.177
2 H2 HIS 1 2HT HIS 1 11.390 4.813 5.328
3 H3 HIS 1 3HT HIS 1 9.721 4.660 5.639
4 HA HIS 1 HA HIS 1 11.527 2.399 5.192
5 HB2 HIS 1 2HB HIS 1 10.358 3.493 7.771
6 HB3 HIS 1 1HB HIS 1 11.043 1.887 7.622
7 HD1 HIS 1 1HD HIS 1 11.931 5.268 8.577
8 HD2 HIS 1 2HD HIS 1 13.884 2.027 6.842
9 HE1 HIS 1 1HE HIS 1 14.382 5.656 8.941
10 H GLY 2 H GLY 2 10.512 0.383 5.594
11 HA2 GLY 2 2HA GLY 2 8.321 -0.611 6.221
12 HA3 GLY 2 1HA GLY 2 7.650 0.487 5.010
13 H GLU 3 H GLU 3 7.177 -2.058 4.565
14 HA GLU 3 HA GLU 3 9.255 -2.970 2.741
15 HB2 GLU 3 2HB GLU 3 6.892 -4.377 3.967
16 HB3 GLU 3 1HB GLU 3 7.842 -5.077 2.667
17 HG2 GLU 3 2HG GLU 3 8.876 -4.291 5.379
18 HG3 GLU 3 1HG GLU 3 8.520 -5.932 4.841
19 H GLY 4 H GLY 4 8.299 -4.096 0.783
20 HA2 GLY 4 2HA GLY 4 6.207 -2.401 -0.380
21 HA3 GLY 4 1HA GLY 4 7.520 -3.151 -1.296
22 H THR 5 H THR 5 5.500 -4.431 1.251
23 HA THR 5 HA THR 5 5.052 -6.869 -0.178
24 HB THR 5 HB THR 5 3.936 -5.906 2.455
25 HG1 THR 5 1HG THR 5 6.156 -7.620 2.266
26 HG21 THR 5 3HG2 THR 5 4.333 -8.696 1.339
27 HG22 THR 5 1HG2 THR 5 2.787 -7.872 1.544
28 HG23 THR 5 2HG2 THR 5 3.740 -8.319 2.958
29 H PHE 6 H PHE 6 3.202 -4.077 0.945
30 HA PHE 6 HA PHE 6 0.888 -5.055 -0.566
31 HB2 PHE 6 2HB PHE 6 0.938 -5.398 1.993
32 HB3 PHE 6 1HB PHE 6 0.720 -3.653 2.062
33 HD1 PHE 6 1HD PHE 6 -0.757 -6.595 0.359
34 HD2 PHE 6 2HD PHE 6 -1.436 -2.911 2.343
35 HE1 PHE 6 1HE PHE 6 -3.152 -6.980 0.219
36 HE2 PHE 6 2HE PHE 6 -3.854 -3.272 2.202
37 HZ PHE 6 HZ PHE 6 -4.731 -5.315 1.138
38 H THR 7 H THR 7 0.768 -3.609 -2.130
39 HA THR 7 HA THR 7 1.666 -0.903 -1.807
40 HB THR 7 HB THR 7 1.980 -2.018 -3.994
41 HG1 THR 7 1HG THR 7 1.832 0.213 -4.000
42 HG21 THR 7 3HG2 THR 7 -0.058 -3.381 -4.060
43 HG22 THR 7 1HG2 THR 7 0.070 -2.387 -5.512
44 HG23 THR 7 2HG2 THR 7 -1.036 -1.925 -4.217
45 H SER 8 H SER 8 -1.331 -2.535 -1.479
46 HA SER 8 HA SER 8 -2.938 -0.155 -1.713
47 HB2 SER 8 2HB SER 8 -3.674 -2.943 -0.827
48 HB3 SER 8 1HB SER 8 -4.773 -1.671 -1.372
49 HG SER 8 HG SER 8 -4.071 -3.354 -2.932
50 H ASP 9 H ASP 9 -0.812 -0.709 0.498
51 HA ASP 9 HA ASP 9 -2.326 -0.858 2.931
52 HB2 ASP 9 2HB ASP 9 0.123 -1.573 2.818
53 HB3 ASP 9 1HB ASP 9 0.462 0.157 2.597
54 H CYS 10 H CYS 10 -3.520 0.694 3.612
55 HA CYS 10 HA CYS 10 -3.527 3.257 2.500
56 HB2 CYS 10 2HB CYS 10 -5.474 2.069 3.545
57 HB3 CYS 10 1HB CYS 10 -4.766 2.421 5.119
58 H SER 11 H SER 11 -1.928 1.909 5.331
59 HA SER 11 HA SER 11 -1.245 4.324 6.494
60 HB2 SER 11 2HB SER 11 0.290 1.718 6.592
61 HB3 SER 11 1HB SER 11 0.430 3.048 7.743
62 HG SER 11 HG SER 11 -1.454 2.554 8.600
63 H LYS 12 H LYS 12 0.382 2.296 4.122
64 HA LYS 12 HA LYS 12 2.796 3.655 3.791
65 HB2 LYS 12 2HB LYS 12 2.343 1.472 2.914
66 HB3 LYS 12 1HB LYS 12 1.123 2.138 1.839
67 HG2 LYS 12 2HG LYS 12 2.819 3.421 0.676
68 HG3 LYS 12 1HG LYS 12 4.056 2.774 1.758
69 HD2 LYS 12 2HD LYS 12 2.237 1.088 0.158
70 HD3 LYS 12 1HD LYS 12 3.802 1.648 -0.481
71 HE2 LYS 12 2HE LYS 12 3.311 -0.099 1.952
72 HE3 LYS 12 1HE LYS 12 4.007 -0.616 0.421
73 HZ1 LYS 12 3HZ LYS 12 5.839 0.994 0.843
74 HZ2 LYS 12 1HZ LYS 12 5.755 -0.273 1.955
75 HZ3 LYS 12 2HZ LYS 12 5.202 1.256 2.377
76 H GLN 13 H GLN 13 -0.311 4.078 2.123
77 HA GLN 13 HA GLN 13 0.679 5.944 0.321
78 HB2 GLN 13 2HB GLN 13 -2.155 5.411 1.187
79 HB3 GLN 13 1HB GLN 13 -1.665 6.286 -0.264
80 HG2 GLN 13 2HG GLN 13 -1.141 3.375 0.348
81 HG3 GLN 13 1HG GLN 13 -2.243 4.023 -0.868
82 HE21 GLN 13 1HE2 GLN 13 0.077 2.224 -1.175
83 HE22 GLN 13 2HE2 GLN 13 1.158 3.039 -2.244
84 H CYS 14 H CYS 14 -0.631 6.291 3.546
85 HA CYS 14 HA CYS 14 -0.624 9.144 3.227
86 HB2 CYS 14 2HB CYS 14 -1.262 7.416 5.602
87 HB3 CYS 14 1HB CYS 14 -1.148 9.172 5.720
88 H GLU 15 H GLU 15 1.537 6.749 4.580
89 HA GLU 15 HA GLU 15 3.250 8.591 5.877
90 HB2 GLU 15 2HB GLU 15 3.864 5.870 4.715
91 HB3 GLU 15 1HB GLU 15 4.930 6.777 5.775
92 HG2 GLU 15 2HG GLU 15 2.192 5.764 6.492
93 HG3 GLU 15 1HG GLU 15 3.713 5.016 6.958
94 H GLU 16 H GLU 16 3.115 7.335 2.576
95 HA GLU 16 HA GLU 16 5.432 8.761 1.721
96 HB2 GLU 16 2HB GLU 16 3.104 7.690 0.106
97 HB3 GLU 16 1HB GLU 16 4.569 8.356 -0.593
98 HG2 GLU 16 2HG GLU 16 5.835 6.554 0.621
99 HG3 GLU 16 1HG GLU 16 4.275 5.840 1.028
100 H GLY 17 H GLY 17 2.033 9.383 1.825
101 HA2 GLY 17 2HA GLY 17 1.101 11.510 2.191
102 HA3 GLY 17 1HA GLY 17 2.576 12.245 1.571
103 H ILE 18 H ILE 18 0.304 9.856 0.300
104 HA ILE 18 HA ILE 18 0.169 11.506 -2.109
105 HB ILE 18 HB ILE 18 -0.600 8.590 -1.797
106 HG12 ILE 18 2HG1 ILE 18 1.842 9.835 -3.091
107 HG13 ILE 18 1HG1 ILE 18 1.827 8.966 -1.564
108 HG21 ILE 18 1HG2 ILE 18 -0.696 8.605 -4.277
109 HG22 ILE 18 2HG2 ILE 18 -0.337 10.331 -4.268
110 HG23 ILE 18 3HG2 ILE 18 -1.850 9.746 -3.581
111 HD11 ILE 18 3HD1 ILE 18 1.169 6.928 -2.745
112 HD12 ILE 18 1HD1 ILE 18 2.688 7.583 -3.355
113 HD13 ILE 18 2HD1 ILE 18 1.197 7.812 -4.271
114 H GLY 19 H GLY 19 -2.138 9.197 -0.712
115 HA2 GLY 19 2HA GLY 19 -4.345 9.496 -0.092
116 HA3 GLY 19 1HA GLY 19 -4.001 11.218 0.005
117 H HIS 20 H HIS 20 -3.509 9.366 -2.912
118 HA HIS 20 HA HIS 20 -5.869 10.625 -4.116
119 HB2 HIS 20 2HB HIS 20 -3.817 11.820 -4.832
120 HB3 HIS 20 1HB HIS 20 -3.135 10.280 -5.348
121 HD1 HIS 20 1HD HIS 20 -3.068 10.478 -7.880
122 HD2 HIS 20 2HD HIS 20 -6.692 11.722 -6.267
123 HE1 HIS 20 1HE HIS 20 -4.563 10.980 -9.841
124 H LYS 21 H LYS 21 -7.163 9.183 -5.028
125 HA LYS 21 HA LYS 21 -8.005 7.308 -5.932
126 HB2 LYS 21 2HB LYS 21 -5.129 6.475 -6.390
127 HB3 LYS 21 1HB LYS 21 -6.525 5.570 -6.953
128 HG2 LYS 21 2HG LYS 21 -5.831 8.384 -7.782
129 HG3 LYS 21 1HG LYS 21 -5.491 6.937 -8.729
130 HD2 LYS 21 2HD LYS 21 -7.939 6.454 -8.741
131 HD3 LYS 21 1HD LYS 21 -8.203 7.992 -7.927
132 HE2 LYS 21 2HE LYS 21 -7.251 9.198 -9.794
133 HE3 LYS 21 1HE LYS 21 -6.844 7.679 -10.592
134 HZ1 LYS 21 3HZ LYS 21 -9.580 8.614 -9.974
135 HZ2 LYS 21 1HZ LYS 21 -9.183 7.174 -10.760
136 HZ3 LYS 21 2HZ LYS 21 -8.846 8.663 -11.496
137 H TYR 22 H TYR 22 -7.088 7.723 -3.168
138 HA TYR 22 HA TYR 22 -7.460 4.951 -2.305
139 HB2 TYR 22 2HB TYR 22 -5.825 6.975 -0.746
140 HB3 TYR 22 1HB TYR 22 -5.931 5.239 -0.461
141 HD1 TYR 22 1HD TYR 22 -5.438 4.080 -3.057
142 HD2 TYR 22 2HD TYR 22 -3.612 7.485 -1.278
143 HE1 TYR 22 1HE TYR 22 -3.521 3.792 -4.502
144 HE2 TYR 22 2HE TYR 22 -1.692 7.211 -2.748
145 HH TYR 22 HH TYR 22 -0.597 5.348 -3.936
146 HA PRO 23 HA PRO 23 -10.920 7.677 -1.004
147 HB2 PRO 23 2HB PRO 23 -12.781 5.681 -0.876
148 HB3 PRO 23 1HB PRO 23 -12.289 6.462 -2.385
149 HG2 PRO 23 2HG PRO 23 -11.364 3.868 -1.251
150 HG3 PRO 23 1HG PRO 23 -11.872 4.253 -2.904
151 HD2 PRO 23 2HD PRO 23 -9.288 4.107 -2.220
152 HD3 PRO 23 1HD PRO 23 -9.861 5.285 -3.416
153 H PHE 24 H PHE 24 -9.410 5.082 0.480
154 HA PHE 24 HA PHE 24 -10.882 5.398 2.965
155 HB2 PHE 24 2HB PHE 24 -9.441 3.273 3.522
156 HB3 PHE 24 1HB PHE 24 -10.899 3.136 2.541
157 HD1 PHE 24 1HD PHE 24 -7.215 3.110 2.491
158 HD2 PHE 24 2HD PHE 24 -10.775 2.556 0.252
159 HE1 PHE 24 1HE PHE 24 -5.911 2.103 0.667
160 HE2 PHE 24 2HE PHE 24 -9.521 1.584 -1.567
161 HZ PHE 24 HZ PHE 24 -7.051 1.328 -1.381
162 H CYS 25 H CYS 25 -8.287 6.818 1.622
163 HA CYS 25 HA CYS 25 -6.772 6.783 4.132
164 HB2 CYS 25 2HB CYS 25 -5.717 7.223 1.343
165 HB3 CYS 25 1HB CYS 25 -4.770 7.311 2.822
166 H HIS 26 H HIS 26 -6.962 8.564 5.198
167 HA HIS 26 HA HIS 26 -7.264 11.093 3.744
168 HB2 HIS 26 2HB HIS 26 -7.844 10.467 6.662
169 HB3 HIS 26 1HB HIS 26 -8.089 12.019 5.881
170 HD1 HIS 26 1HD HIS 26 -10.371 12.398 4.876
171 HD2 HIS 26 2HD HIS 26 -9.614 8.402 5.693
172 HE1 HIS 26 1HE HIS 26 -12.559 11.193 4.516
173 H CYS 27 H CYS 27 -5.204 11.704 3.396
174 HA CYS 27 HA CYS 27 -3.247 11.273 5.527
175 HB2 CYS 27 2HB CYS 27 -2.759 12.108 2.663
176 HB3 CYS 27 1HB CYS 27 -1.586 11.462 3.804
177 H ARG 28 H ARG 28 -2.091 13.028 6.373
178 HA ARG 28 HA ARG 28 -3.438 15.542 6.352
179 HB2 ARG 28 2HB ARG 28 -0.755 14.789 7.542
180 HB3 ARG 28 1HB ARG 28 -1.574 16.314 7.821
181 HG2 ARG 28 2HG ARG 28 -2.607 13.599 8.598
182 HG3 ARG 28 1HG ARG 28 -1.818 14.741 9.684
183 HD2 ARG 28 2HD ARG 28 -3.622 16.358 9.280
184 HD3 ARG 28 1HD ARG 28 -4.411 15.209 8.201
185 HE ARG 28 HE ARG 28 -3.953 13.993 10.673
186 HH11 ARG 28 1HH1 ARG 28 -6.082 16.437 9.226
187 HH12 ARG 28 2HH1 ARG 28 -7.327 16.206 10.366
188 HH21 ARG 28 1HH2 ARG 28 -5.689 13.704 12.220
189 HH22 ARG 28 2HH2 ARG 28 -7.096 14.648 12.091
190 HN1 NH2 29 1H ARG 28 0.044 15.414 5.995
191 HN2 NH2 29 2H ARG 28 0.112 16.379 4.563
Start of MODEL 8
1 H1 HIS 1 1HT HIS 1 15.599 1.263 -3.166
2 H2 HIS 1 2HT HIS 1 16.280 -0.259 -3.308
3 H3 HIS 1 3HT HIS 1 16.810 0.772 -2.104
4 HA HIS 1 HA HIS 1 15.402 -0.959 -1.224
5 HB2 HIS 1 2HB HIS 1 14.114 1.790 -1.182
6 HB3 HIS 1 1HB HIS 1 13.629 0.463 -0.141
7 HD1 HIS 1 1HD HIS 1 14.985 0.128 1.997
8 HD2 HIS 1 2HD HIS 1 16.670 2.901 -0.601
9 HE1 HIS 1 1HE HIS 1 16.849 1.237 3.272
10 H GLY 2 H GLY 2 13.058 1.221 -2.772
11 HA2 GLY 2 2HA GLY 2 11.399 0.801 -4.267
12 HA3 GLY 2 1HA GLY 2 12.115 -0.775 -4.558
13 H GLU 3 H GLU 3 9.721 -1.141 -4.683
14 HA GLU 3 HA GLU 3 8.336 -1.374 -2.168
15 HB2 GLU 3 2HB GLU 3 7.086 -0.774 -4.184
16 HB3 GLU 3 1HB GLU 3 7.578 -2.273 -4.956
17 HG2 GLU 3 2HG GLU 3 5.274 -2.361 -4.140
18 HG3 GLU 3 1HG GLU 3 6.301 -3.559 -3.355
19 H GLY 4 H GLY 4 8.458 -3.045 -0.887
20 HA2 GLY 4 2HA GLY 4 8.775 -5.707 -1.972
21 HA3 GLY 4 1HA GLY 4 10.097 -5.142 -0.957
22 H THR 5 H THR 5 6.803 -4.106 -0.350
23 HA THR 5 HA THR 5 6.594 -6.170 1.666
24 HB THR 5 HB THR 5 6.296 -3.231 2.305
25 HG1 THR 5 1HG THR 5 8.399 -4.922 2.288
26 HG21 THR 5 3HG2 THR 5 6.094 -5.704 4.024
27 HG22 THR 5 1HG2 THR 5 4.757 -4.674 3.521
28 HG23 THR 5 2HG2 THR 5 5.994 -4.036 4.612
29 H PHE 6 H PHE 6 4.886 -3.243 0.422
30 HA PHE 6 HA PHE 6 2.508 -4.678 -0.148
31 HB2 PHE 6 2HB PHE 6 2.779 -4.403 2.505
32 HB3 PHE 6 1HB PHE 6 2.165 -2.798 2.144
33 HD1 PHE 6 2HD PHE 6 1.443 -6.342 2.201
34 HD2 PHE 6 1HD PHE 6 -0.138 -2.488 1.476
35 HE1 PHE 6 2HE PHE 6 -0.827 -7.271 2.294
36 HE2 PHE 6 1HE PHE 6 -2.416 -3.395 1.569
37 HZ PHE 6 HZ PHE 6 -2.764 -5.796 1.977
38 H THR 7 H THR 7 1.809 -3.441 -1.797
39 HA THR 7 HA THR 7 2.733 -0.690 -1.942
40 HB THR 7 HB THR 7 3.191 -2.279 -3.815
41 HG1 THR 7 1HG THR 7 3.105 -0.042 -4.214
42 HG21 THR 7 3HG2 THR 7 0.217 -2.105 -4.302
43 HG22 THR 7 1HG2 THR 7 1.088 -3.543 -3.777
44 HG23 THR 7 2HG2 THR 7 1.392 -2.867 -5.373
45 H SER 8 H SER 8 -0.117 -2.416 -1.214
46 HA SER 8 HA SER 8 -1.788 -0.125 -1.885
47 HB2 SER 8 2HB SER 8 -2.466 -3.017 -1.385
48 HB3 SER 8 1HB SER 8 -3.630 -1.750 -1.768
49 HG SER 8 HG SER 8 -2.100 -1.392 -3.607
50 H ASP 9 H ASP 9 -0.088 -0.349 0.612
51 HA ASP 9 HA ASP 9 -2.116 -0.775 2.664
52 HB2 ASP 9 2HB ASP 9 0.274 -1.447 3.194
53 HB3 ASP 9 1HB ASP 9 0.648 0.289 3.096
54 H CYS 10 H CYS 10 -3.420 0.729 3.256
55 HA CYS 10 HA CYS 10 -3.460 3.285 2.219
56 HB2 CYS 10 2HB CYS 10 -5.430 2.150 3.091
57 HB3 CYS 10 1HB CYS 10 -4.784 2.252 4.722
58 H SER 11 H SER 11 -2.071 2.133 5.273
59 HA SER 11 HA SER 11 -1.618 4.720 6.254
60 HB2 SER 11 2HB SER 11 -1.777 2.769 7.762
61 HB3 SER 11 1HB SER 11 -0.307 2.108 7.055
62 HG SER 11 HG SER 11 0.859 3.694 7.942
63 H LYS 12 H LYS 12 0.228 2.478 4.345
64 HA LYS 12 HA LYS 12 2.645 3.942 4.344
65 HB2 LYS 12 2HB LYS 12 2.516 1.577 3.630
66 HB3 LYS 12 1HB LYS 12 1.535 2.103 2.255
67 HG2 LYS 12 2HG LYS 12 3.351 3.324 1.327
68 HG3 LYS 12 1HG LYS 12 4.352 2.993 2.739
69 HD2 LYS 12 2HD LYS 12 4.342 0.634 2.228
70 HD3 LYS 12 1HD LYS 12 3.253 0.912 0.866
71 HE2 LYS 12 2HE LYS 12 4.880 2.209 -0.264
72 HE3 LYS 12 1HE LYS 12 5.954 2.193 1.131
73 HZ1 LYS 12 3HZ LYS 12 6.167 -0.218 0.838
74 HZ2 LYS 12 1HZ LYS 12 6.705 0.639 -0.489
75 HZ3 LYS 12 2HZ LYS 12 5.246 -0.156 -0.583
76 H GLN 13 H GLN 13 -0.226 3.976 2.274
77 HA GLN 13 HA GLN 13 0.720 5.701 0.328
78 HB2 GLN 13 2HB GLN 13 -2.129 5.724 1.336
79 HB3 GLN 13 1HB GLN 13 -1.566 6.110 -0.278
80 HG2 GLN 13 2HG GLN 13 -1.649 3.390 1.014
81 HG3 GLN 13 1HG GLN 13 -2.714 3.988 -0.244
82 HE21 GLN 13 1HE2 GLN 13 -2.231 2.285 -1.558
83 HE22 GLN 13 2HE2 GLN 13 -0.701 2.093 -2.340
84 H CYS 14 H CYS 14 -0.857 6.257 3.411
85 HA CYS 14 HA CYS 14 -0.962 9.064 3.324
86 HB2 CYS 14 2HB CYS 14 -0.923 7.163 5.664
87 HB3 CYS 14 1HB CYS 14 -1.270 8.884 5.786
88 H GLU 15 H GLU 15 1.478 6.802 4.523
89 HA GLU 15 HA GLU 15 3.163 8.681 5.724
90 HB2 GLU 15 2HB GLU 15 3.161 6.210 6.063
91 HB3 GLU 15 1HB GLU 15 3.872 6.038 4.466
92 HG2 GLU 15 2HG GLU 15 5.563 5.866 6.133
93 HG3 GLU 15 1HG GLU 15 5.786 7.348 5.203
94 H GLU 16 H GLU 16 2.873 7.470 2.462
95 HA GLU 16 HA GLU 16 5.158 8.945 1.503
96 HB2 GLU 16 2HB GLU 16 3.103 7.205 0.191
97 HB3 GLU 16 1HB GLU 16 4.254 8.141 -0.756
98 HG2 GLU 16 2HG GLU 16 5.020 6.166 1.371
99 HG3 GLU 16 1HG GLU 16 4.942 5.801 -0.356
100 H GLY 17 H GLY 17 1.982 9.648 2.157
101 HA2 GLY 17 2HA GLY 17 0.860 11.643 1.999
102 HA3 GLY 17 1HA GLY 17 2.280 12.327 1.224
103 H ILE 18 H ILE 18 0.598 9.503 0.094
104 HA ILE 18 HA ILE 18 0.281 10.818 -2.464
105 HB ILE 18 HB ILE 18 -0.674 8.021 -1.761
106 HG12 ILE 18 2HG1 ILE 18 1.996 8.843 -2.926
107 HG13 ILE 18 1HG1 ILE 18 1.751 8.282 -1.276
108 HG21 ILE 18 1HG2 ILE 18 -0.430 7.662 -4.204
109 HG22 ILE 18 2HG2 ILE 18 0.034 9.351 -4.393
110 HG23 ILE 18 3HG2 ILE 18 -1.587 8.940 -3.840
111 HD11 ILE 18 3HD1 ILE 18 2.632 6.509 -2.696
112 HD12 ILE 18 1HD1 ILE 18 1.249 6.693 -3.779
113 HD13 ILE 18 2HD1 ILE 18 1.003 6.120 -2.132
114 H GLY 19 H GLY 19 -2.052 8.739 -0.766
115 HA2 GLY 19 2HA GLY 19 -4.275 9.055 -0.211
116 HA3 GLY 19 1HA GLY 19 -4.033 10.776 -0.451
117 H HIS 20 H HIS 20 -3.025 9.659 -3.229
118 HA HIS 20 HA HIS 20 -5.395 10.440 -4.610
119 HB2 HIS 20 2HB HIS 20 -3.107 11.065 -5.365
120 HB3 HIS 20 1HB HIS 20 -2.790 9.367 -5.695
121 HD1 HIS 20 1HD HIS 20 -2.774 9.126 -8.205
122 HD2 HIS 20 2HD HIS 20 -5.799 11.632 -6.855
123 HE1 HIS 20 1HE HIS 20 -4.110 9.773 -10.241
124 H LYS 21 H LYS 21 -6.994 9.159 -5.237
125 HA LYS 21 HA LYS 21 -8.225 7.385 -5.839
126 HB2 LYS 21 2HB LYS 21 -5.610 6.010 -6.475
127 HB3 LYS 21 1HB LYS 21 -7.208 5.454 -6.951
128 HG2 LYS 21 2HG LYS 21 -7.504 7.470 -8.306
129 HG3 LYS 21 1HG LYS 21 -5.894 8.015 -7.835
130 HD2 LYS 21 2HD LYS 21 -5.729 7.023 -10.013
131 HD3 LYS 21 1HD LYS 21 -4.969 5.937 -8.857
132 HE2 LYS 21 2HE LYS 21 -6.301 4.659 -10.411
133 HE3 LYS 21 1HE LYS 21 -7.034 4.573 -8.817
134 HZ1 LYS 21 3HZ LYS 21 -8.652 6.265 -9.535
135 HZ2 LYS 21 1HZ LYS 21 -8.683 4.929 -10.557
136 HZ3 LYS 21 2HZ LYS 21 -7.914 6.335 -11.041
137 H TYR 22 H TYR 22 -7.039 7.742 -3.151
138 HA TYR 22 HA TYR 22 -7.667 5.049 -2.215
139 HB2 TYR 22 2HB TYR 22 -5.756 6.945 -0.797
140 HB3 TYR 22 1HB TYR 22 -6.066 5.261 -0.396
141 HD1 TYR 22 2HD TYR 22 -5.898 4.006 -3.058
142 HD2 TYR 22 1HD TYR 22 -3.465 7.007 -1.320
143 HE1 TYR 22 2HE TYR 22 -4.123 3.390 -4.557
144 HE2 TYR 22 1HE TYR 22 -1.644 6.415 -2.851
145 HH TYR 22 HH TYR 22 -0.907 4.387 -4.160
146 HA PRO 23 HA PRO 23 -10.843 8.051 -1.067
147 HB2 PRO 23 2HB PRO 23 -12.845 6.217 -0.725
148 HB3 PRO 23 1HB PRO 23 -12.314 6.842 -2.296
149 HG2 PRO 23 2HG PRO 23 -11.584 4.275 -0.967
150 HG3 PRO 23 1HG PRO 23 -12.043 4.581 -2.653
151 HD2 PRO 23 2HD PRO 23 -9.500 4.276 -1.872
152 HD3 PRO 23 1HD PRO 23 -9.951 5.358 -3.206
153 H PHE 24 H PHE 24 -9.748 5.376 0.739
154 HA PHE 24 HA PHE 24 -11.050 6.348 3.158
155 HB2 PHE 24 2HB PHE 24 -10.148 4.052 4.034
156 HB3 PHE 24 1HB PHE 24 -11.580 4.107 3.013
157 HD1 PHE 24 1HD PHE 24 -7.964 3.333 3.061
158 HD2 PHE 24 2HD PHE 24 -11.604 3.167 0.873
159 HE1 PHE 24 1HE PHE 24 -6.918 1.830 1.422
160 HE2 PHE 24 2HE PHE 24 -10.585 1.698 -0.757
161 HZ PHE 24 HZ PHE 24 -8.226 1.002 -0.496
162 H CYS 25 H CYS 25 -8.405 7.198 1.704
163 HA CYS 25 HA CYS 25 -6.795 7.063 4.152
164 HB2 CYS 25 2HB CYS 25 -5.730 7.352 1.344
165 HB3 CYS 25 1HB CYS 25 -4.785 7.181 2.816
166 H HIS 26 H HIS 26 -8.062 8.986 4.754
167 HA HIS 26 HA HIS 26 -7.114 11.386 3.403
168 HB2 HIS 26 2HB HIS 26 -9.241 11.005 5.531
169 HB3 HIS 26 1HB HIS 26 -8.684 12.582 4.996
170 HD1 HIS 26 1HD HIS 26 -11.004 9.846 4.096
171 HD2 HIS 26 2HD HIS 26 -9.348 13.215 2.312
172 HE1 HIS 26 1HE HIS 26 -12.415 10.315 2.062
173 H CYS 27 H CYS 27 -5.156 11.809 4.023
174 HA CYS 27 HA CYS 27 -4.550 11.787 6.867
175 HB2 CYS 27 2HB CYS 27 -2.900 10.532 4.677
176 HB3 CYS 27 1HB CYS 27 -2.398 10.678 6.355
177 H ARG 28 H ARG 28 -2.479 12.970 7.255
178 HA ARG 28 HA ARG 28 -2.411 15.254 5.453
179 HB2 ARG 28 2HB ARG 28 -1.654 16.578 7.454
180 HB3 ARG 28 1HB ARG 28 -3.296 15.965 7.535
181 HG2 ARG 28 2HG ARG 28 -2.487 14.119 8.982
182 HG3 ARG 28 1HG ARG 28 -0.883 14.855 8.956
183 HD2 ARG 28 2HD ARG 28 -1.818 16.895 9.927
184 HD3 ARG 28 1HD ARG 28 -3.410 16.137 9.970
185 HE ARG 28 HE ARG 28 -1.375 14.655 11.335
186 HH11 ARG 28 1HH1 ARG 28 -3.912 17.116 11.669
187 HH12 ARG 28 2HH1 ARG 28 -3.944 17.058 13.360
188 HH21 ARG 28 1HH2 ARG 28 -1.413 14.588 13.690
189 HH22 ARG 28 2HH2 ARG 28 -2.477 15.604 14.541
190 HN1 NH2 29 1H ARG 28 -0.826 14.836 4.119
191 HN2 NH2 29 2H ARG 28 0.813 14.499 4.562
Start of MODEL 9
1 H1 HIS 1 1HT HIS 1 13.139 -3.015 -0.463
2 H2 HIS 1 2HT HIS 1 13.836 -1.566 -0.086
3 H3 HIS 1 3HT HIS 1 12.302 -1.963 0.529
4 HA HIS 1 HA HIS 1 14.851 -3.355 1.128
5 HB2 HIS 1 2HB HIS 1 13.113 -1.616 2.907
6 HB3 HIS 1 1HB HIS 1 14.419 -2.620 3.500
7 HD1 HIS 1 1HD HIS 1 16.724 -1.523 3.548
8 HD2 HIS 1 2HD HIS 1 13.981 0.512 1.173
9 HE1 HIS 1 1HE HIS 1 17.846 0.620 2.865
10 H GLY 2 H GLY 2 11.498 -3.083 2.393
11 HA2 GLY 2 2HA GLY 2 11.661 -5.945 2.999
12 HA3 GLY 2 1HA GLY 2 10.638 -4.782 3.822
13 H GLU 3 H GLU 3 11.152 -6.427 0.738
14 HA GLU 3 HA GLU 3 9.785 -7.387 -0.726
15 HB2 GLU 3 2HB GLU 3 8.610 -8.254 1.287
16 HB3 GLU 3 1HB GLU 3 7.580 -6.836 1.273
17 HG2 GLU 3 2HG GLU 3 6.681 -7.545 -0.904
18 HG3 GLU 3 1HG GLU 3 7.699 -8.978 -0.834
19 H GLY 4 H GLY 4 8.263 -6.904 -2.424
20 HA2 GLY 4 2HA GLY 4 7.404 -4.097 -2.510
21 HA3 GLY 4 1HA GLY 4 8.387 -4.747 -3.815
22 H THR 5 H THR 5 5.644 -6.038 -1.983
23 HA THR 5 HA THR 5 4.423 -6.667 -4.570
24 HB THR 5 HB THR 5 3.857 -7.954 -1.889
25 HG1 THR 5 1HG THR 5 5.173 -9.621 -2.615
26 HG21 THR 5 3HG2 THR 5 2.028 -8.116 -3.511
27 HG22 THR 5 1HG2 THR 5 2.778 -9.692 -3.265
28 HG23 THR 5 2HG2 THR 5 3.138 -8.759 -4.722
29 H PHE 6 H PHE 6 3.428 -6.003 -1.218
30 HA PHE 6 HA PHE 6 0.945 -4.925 -2.236
31 HB2 PHE 6 2HB PHE 6 1.176 -6.727 -0.388
32 HB3 PHE 6 1HB PHE 6 1.630 -5.378 0.645
33 HD1 PHE 6 1HD PHE 6 -1.020 -6.888 -1.322
34 HD2 PHE 6 2HD PHE 6 -0.015 -3.734 1.343
35 HE1 PHE 6 1HE PHE 6 -3.367 -6.440 -1.004
36 HE2 PHE 6 2HE PHE 6 -2.376 -3.263 1.685
37 HZ PHE 6 HZ PHE 6 -4.093 -4.616 0.521
38 H THR 7 H THR 7 0.615 -2.856 -2.223
39 HA THR 7 HA THR 7 2.086 -1.110 -0.400
40 HB THR 7 HB THR 7 3.274 -1.153 -2.504
41 HG1 THR 7 1HG THR 7 1.792 1.266 -2.314
42 HG21 THR 7 3HG2 THR 7 1.489 -1.773 -3.985
43 HG22 THR 7 1HG2 THR 7 2.222 -0.277 -4.586
44 HG23 THR 7 2HG2 THR 7 0.679 -0.241 -3.710
45 H SER 8 H SER 8 -0.645 -2.271 -1.121
46 HA SER 8 HA SER 8 -2.242 0.068 -1.596
47 HB2 SER 8 2HB SER 8 -2.884 -2.197 -2.485
48 HB3 SER 8 1HB SER 8 -3.173 -2.723 -0.831
49 HG SER 8 HG SER 8 -4.495 -0.685 -2.262
50 H ASP 9 H ASP 9 -0.619 -0.959 0.965
51 HA ASP 9 HA ASP 9 -2.272 -0.745 3.216
52 HB2 ASP 9 2HB ASP 9 0.608 0.132 2.924
53 HB3 ASP 9 1HB ASP 9 -0.215 -0.157 4.451
54 H CYS 10 H CYS 10 -3.377 0.896 3.893
55 HA CYS 10 HA CYS 10 -3.536 3.301 2.477
56 HB2 CYS 10 2HB CYS 10 -5.390 2.200 3.759
57 HB3 CYS 10 1HB CYS 10 -4.608 2.737 5.242
58 H SER 11 H SER 11 -2.147 2.536 5.658
59 HA SER 11 HA SER 11 -1.399 5.159 6.279
60 HB2 SER 11 2HB SER 11 -0.256 2.542 7.265
61 HB3 SER 11 1HB SER 11 -0.006 4.119 8.023
62 HG SER 11 HG SER 11 -2.037 4.195 8.645
63 H LYS 12 H LYS 12 0.114 2.729 4.298
64 HA LYS 12 HA LYS 12 2.743 3.834 4.255
65 HB2 LYS 12 2HB LYS 12 2.258 1.535 3.508
66 HB3 LYS 12 1HB LYS 12 1.281 2.194 2.200
67 HG2 LYS 12 2HG LYS 12 3.215 3.200 1.199
68 HG3 LYS 12 1HG LYS 12 4.223 2.653 2.540
69 HD2 LYS 12 2HD LYS 12 3.670 0.333 1.974
70 HD3 LYS 12 1HD LYS 12 2.725 0.913 0.599
71 HE2 LYS 12 2HE LYS 12 5.553 1.639 1.028
72 HE3 LYS 12 1HE LYS 12 5.110 0.155 0.142
73 HZ1 LYS 12 3HZ LYS 12 5.564 1.971 -1.369
74 HZ2 LYS 12 1HZ LYS 12 4.435 2.991 -0.646
75 HZ3 LYS 12 2HZ LYS 12 3.951 1.596 -1.459
76 H GLN 13 H GLN 13 -0.007 3.980 2.048
77 HA GLN 13 HA GLN 13 1.003 5.849 0.295
78 HB2 GLN 13 2HB GLN 13 -1.877 5.365 1.054
79 HB3 GLN 13 1HB GLN 13 -1.319 6.141 -0.424
80 HG2 GLN 13 2HG GLN 13 -0.884 3.271 0.393
81 HG3 GLN 13 1HG GLN 13 -1.910 3.865 -0.911
82 HE21 GLN 13 1HE2 GLN 13 1.354 3.304 0.118
83 HE22 GLN 13 2HE2 GLN 13 2.080 3.520 -1.435
84 H CYS 14 H CYS 14 -0.623 6.249 3.373
85 HA CYS 14 HA CYS 14 -0.922 9.044 3.183
86 HB2 CYS 14 2HB CYS 14 -0.885 7.201 5.567
87 HB3 CYS 14 1HB CYS 14 -1.218 8.925 5.690
88 H GLU 15 H GLU 15 1.735 7.001 4.413
89 HA GLU 15 HA GLU 15 3.234 9.219 5.386
90 HB2 GLU 15 2HB GLU 15 4.186 6.489 4.539
91 HB3 GLU 15 1HB GLU 15 5.169 7.686 5.362
92 HG2 GLU 15 2HG GLU 15 3.581 7.586 7.257
93 HG3 GLU 15 1HG GLU 15 2.760 6.260 6.428
94 H GLU 16 H GLU 16 3.027 7.548 2.326
95 HA GLU 16 HA GLU 16 5.195 9.002 1.157
96 HB2 GLU 16 2HB GLU 16 2.987 7.432 -0.176
97 HB3 GLU 16 1HB GLU 16 4.406 8.066 -0.999
98 HG2 GLU 16 2HG GLU 16 5.782 6.661 0.574
99 HG3 GLU 16 1HG GLU 16 4.272 5.920 1.090
100 H GLY 17 H GLY 17 1.999 9.728 1.858
101 HA2 GLY 17 2HA GLY 17 0.866 11.723 1.645
102 HA3 GLY 17 1HA GLY 17 2.270 12.378 0.808
103 H ILE 18 H ILE 18 0.434 9.532 -0.023
104 HA ILE 18 HA ILE 18 0.008 10.723 -2.636
105 HB ILE 18 HB ILE 18 -0.571 7.849 -1.814
106 HG12 ILE 18 2HG1 ILE 18 1.809 8.988 -3.272
107 HG13 ILE 18 1HG1 ILE 18 1.808 8.402 -1.604
108 HG21 ILE 18 1HG2 ILE 18 -0.402 9.207 -4.511
109 HG22 ILE 18 2HG2 ILE 18 -1.835 8.466 -3.783
110 HG23 ILE 18 3HG2 ILE 18 -0.480 7.465 -4.283
111 HD11 ILE 18 3HD1 ILE 18 2.774 6.779 -3.129
112 HD12 ILE 18 1HD1 ILE 18 1.279 6.785 -4.070
113 HD13 ILE 18 2HD1 ILE 18 1.271 6.174 -2.418
114 H GLY 19 H GLY 19 -2.112 8.413 -0.981
115 HA2 GLY 19 2HA GLY 19 -4.352 8.554 -0.418
116 HA3 GLY 19 1HA GLY 19 -4.199 10.300 -0.510
117 H HIS 20 H HIS 20 -3.074 9.522 -3.321
118 HA HIS 20 HA HIS 20 -5.386 10.253 -4.784
119 HB2 HIS 20 2HB HIS 20 -3.041 10.964 -5.321
120 HB3 HIS 20 1HB HIS 20 -2.695 9.294 -5.742
121 HD1 HIS 20 1HD HIS 20 -4.502 12.353 -7.016
122 HD2 HIS 20 2HD HIS 20 -3.576 8.487 -8.243
123 HE1 HIS 20 1HE HIS 20 -5.044 12.253 -9.470
124 H LYS 21 H LYS 21 -6.887 8.936 -5.392
125 HA LYS 21 HA LYS 21 -8.036 7.154 -6.183
126 HB2 LYS 21 2HB LYS 21 -5.355 5.778 -6.502
127 HB3 LYS 21 1HB LYS 21 -6.892 5.095 -7.009
128 HG2 LYS 21 2HG LYS 21 -7.172 6.903 -8.623
129 HG3 LYS 21 1HG LYS 21 -5.663 7.632 -8.078
130 HD2 LYS 21 2HD LYS 21 -5.246 6.415 -10.118
131 HD3 LYS 21 1HD LYS 21 -4.462 5.579 -8.788
132 HE2 LYS 21 2HE LYS 21 -5.521 3.959 -10.238
133 HE3 LYS 21 1HE LYS 21 -6.369 3.986 -8.698
134 HZ1 LYS 21 3HZ LYS 21 -8.073 5.414 -9.756
135 HZ2 LYS 21 1HZ LYS 21 -7.930 3.926 -10.525
136 HZ3 LYS 21 2HZ LYS 21 -7.256 5.295 -11.217
137 H TYR 22 H TYR 22 -6.910 7.627 -3.400
138 HA TYR 22 HA TYR 22 -7.821 5.048 -2.344
139 HB2 TYR 22 2HB TYR 22 -5.766 6.795 -0.956
140 HB3 TYR 22 1HB TYR 22 -6.200 5.135 -0.553
141 HD1 TYR 22 1HD TYR 22 -6.046 3.767 -3.083
142 HD2 TYR 22 2HD TYR 22 -3.505 6.812 -1.567
143 HE1 TYR 22 1HE TYR 22 -4.284 3.018 -4.556
144 HE2 TYR 22 2HE TYR 22 -1.742 6.107 -3.079
145 HH TYR 22 HH TYR 22 -2.349 3.858 -5.595
146 HA PRO 23 HA PRO 23 -10.651 8.455 -1.081
147 HB2 PRO 23 2HB PRO 23 -12.862 6.867 -0.867
148 HB3 PRO 23 1HB PRO 23 -12.232 7.495 -2.404
149 HG2 PRO 23 2HG PRO 23 -11.811 4.801 -1.198
150 HG3 PRO 23 1HG PRO 23 -12.301 5.230 -2.847
151 HD2 PRO 23 2HD PRO 23 -9.778 4.615 -2.255
152 HD3 PRO 23 1HD PRO 23 -10.161 5.867 -3.455
153 H PHE 24 H PHE 24 -9.737 5.583 0.427
154 HA PHE 24 HA PHE 24 -10.960 6.258 2.971
155 HB2 PHE 24 2HB PHE 24 -9.912 3.927 3.560
156 HB3 PHE 24 1HB PHE 24 -11.370 4.009 2.579
157 HD1 PHE 24 2HD PHE 24 -7.749 3.330 2.538
158 HD2 PHE 24 1HD PHE 24 -11.343 3.430 0.277
159 HE1 PHE 24 2HE PHE 24 -6.641 2.109 0.719
160 HE2 PHE 24 1HE PHE 24 -10.274 2.251 -1.538
161 HZ PHE 24 HZ PHE 24 -7.886 1.554 -1.335
162 H CYS 25 H CYS 25 -8.241 7.141 1.435
163 HA CYS 25 HA CYS 25 -6.668 7.016 3.893
164 HB2 CYS 25 2HB CYS 25 -5.626 7.124 1.069
165 HB3 CYS 25 1HB CYS 25 -4.636 7.184 2.521
166 H HIS 26 H HIS 26 -7.831 8.872 4.490
167 HA HIS 26 HA HIS 26 -6.642 11.274 3.340
168 HB2 HIS 26 2HB HIS 26 -9.177 10.954 4.980
169 HB3 HIS 26 1HB HIS 26 -8.456 12.522 4.627
170 HD1 HIS 26 1HD HIS 26 -10.984 10.296 3.349
171 HD2 HIS 26 2HD HIS 26 -8.192 12.890 1.685
172 HE1 HIS 26 1HE HIS 26 -11.761 10.735 1.005
173 H CYS 27 H CYS 27 -4.907 11.866 4.386
174 HA CYS 27 HA CYS 27 -4.772 11.405 7.269
175 HB2 CYS 27 2HB CYS 27 -2.723 10.476 5.267
176 HB3 CYS 27 1HB CYS 27 -2.543 10.396 7.011
177 H ARG 28 H ARG 28 -3.152 12.611 8.299
178 HA ARG 28 HA ARG 28 -2.617 15.128 7.133
179 HB2 ARG 28 2HB ARG 28 -1.210 15.498 9.265
180 HB3 ARG 28 1HB ARG 28 -2.940 15.279 9.441
181 HG2 ARG 28 2HG ARG 28 -2.621 13.005 10.162
182 HG3 ARG 28 1HG ARG 28 -0.884 13.117 9.884
183 HD2 ARG 28 2HD ARG 28 -1.528 13.348 12.266
184 HD3 ARG 28 1HD ARG 28 -0.671 14.753 11.646
185 HE ARG 28 HE ARG 28 -2.605 16.004 11.773
186 HH11 ARG 28 1HH1 ARG 28 -3.315 12.648 12.724
187 HH12 ARG 28 2HH1 ARG 28 -4.714 13.043 13.585
188 HH21 ARG 28 1HH2 ARG 28 -4.559 16.548 13.026
189 HH22 ARG 28 2HH2 ARG 28 -5.428 15.267 13.754
190 HN1 NH2 29 1H ARG 28 -0.309 12.652 8.234
191 HN2 NH2 29 2H ARG 28 0.898 13.085 7.084
Start of MODEL 10
1 H1 HIS 1 1HT HIS 1 9.634 -7.763 -2.031
2 H2 HIS 1 2HT HIS 1 10.778 -7.926 -0.807
3 H3 HIS 1 3HT HIS 1 10.328 -6.397 -1.331
4 HA HIS 1 HA HIS 1 9.267 -6.964 0.794
5 HB2 HIS 1 2HB HIS 1 7.269 -6.973 -1.494
6 HB3 HIS 1 1HB HIS 1 6.958 -6.489 0.162
7 HD1 HIS 1 1HD HIS 1 7.944 -5.162 -3.092
8 HD2 HIS 1 2HD HIS 1 8.337 -4.039 0.887
9 HE1 HIS 1 1HE HIS 1 8.484 -2.699 -3.115
10 H GLY 2 H GLY 2 7.977 -8.435 1.984
11 HA2 GLY 2 2HA GLY 2 8.068 -11.141 1.151
12 HA3 GLY 2 1HA GLY 2 7.196 -10.508 2.550
13 H GLU 3 H GLU 3 5.262 -9.119 1.900
14 HA GLU 3 HA GLU 3 3.618 -10.677 0.153
15 HB2 GLU 3 2HB GLU 3 3.022 -8.167 1.721
16 HB3 GLU 3 1HB GLU 3 1.840 -9.034 0.755
17 HG2 GLU 3 2HG GLU 3 3.273 -10.046 3.196
18 HG3 GLU 3 1HG GLU 3 1.572 -9.616 3.062
19 H GLY 4 H GLY 4 4.025 -10.424 -1.923
20 HA2 GLY 4 2HA GLY 4 4.475 -7.744 -3.034
21 HA3 GLY 4 1HA GLY 4 4.673 -9.266 -3.893
22 H THR 5 H THR 5 1.974 -9.702 -2.303
23 HA THR 5 HA THR 5 0.280 -9.463 -4.547
24 HB THR 5 HB THR 5 -0.406 -9.958 -1.652
25 HG1 THR 5 1HG THR 5 0.058 -12.018 -2.021
26 HG21 THR 5 3HG2 THR 5 -1.907 -10.640 -4.199
27 HG22 THR 5 1HG2 THR 5 -2.371 -9.405 -3.029
28 HG23 THR 5 2HG2 THR 5 -2.393 -11.104 -2.568
29 H PHE 6 H PHE 6 0.633 -7.607 -1.509
30 HA PHE 6 HA PHE 6 -1.253 -5.685 -2.611
31 HB2 PHE 6 2HB PHE 6 -2.249 -7.322 -0.952
32 HB3 PHE 6 1HB PHE 6 -1.220 -6.573 0.255
33 HD1 PHE 6 1HD PHE 6 -1.696 -4.296 1.042
34 HD2 PHE 6 2HD PHE 6 -4.126 -6.218 -1.855
35 HE1 PHE 6 1HE PHE 6 -3.476 -2.673 1.464
36 HE2 PHE 6 2HE PHE 6 -5.892 -4.608 -1.470
37 HZ PHE 6 HZ PHE 6 -5.589 -2.814 0.207
38 H THR 7 H THR 7 -0.463 -3.702 -2.495
39 HA THR 7 HA THR 7 1.417 -3.027 -0.347
40 HB THR 7 HB THR 7 2.568 -3.271 -2.555
41 HG1 THR 7 1HG THR 7 3.274 -0.844 -2.465
42 HG21 THR 7 3HG2 THR 7 0.833 -0.922 -3.317
43 HG22 THR 7 1HG2 THR 7 0.767 -2.538 -4.013
44 HG23 THR 7 2HG2 THR 7 2.191 -1.521 -4.273
45 H SER 8 H SER 8 -1.525 -2.531 -1.730
46 HA SER 8 HA SER 8 -1.769 0.293 -1.698
47 HB2 SER 8 2HB SER 8 -3.914 -1.833 -1.733
48 HB3 SER 8 1HB SER 8 -4.104 -0.145 -2.213
49 HG SER 8 HG SER 8 -2.516 -0.537 -3.836
50 H ASP 9 H ASP 9 -0.878 -0.808 0.848
51 HA ASP 9 HA ASP 9 -3.021 -0.777 2.766
52 HB2 ASP 9 2HB ASP 9 -0.733 -1.897 3.101
53 HB3 ASP 9 1HB ASP 9 -0.114 -0.257 3.331
54 H CYS 10 H CYS 10 -3.751 0.937 3.912
55 HA CYS 10 HA CYS 10 -3.540 3.444 2.722
56 HB2 CYS 10 2HB CYS 10 -5.480 2.498 4.062
57 HB3 CYS 10 1HB CYS 10 -4.574 2.955 5.501
58 H SER 11 H SER 11 -1.849 2.035 5.493
59 HA SER 11 HA SER 11 -0.951 4.496 6.492
60 HB2 SER 11 2HB SER 11 0.263 1.761 6.853
61 HB3 SER 11 1HB SER 11 0.522 3.182 7.871
62 HG SER 11 HG SER 11 -1.512 1.395 7.871
63 H LYS 12 H LYS 12 0.169 2.352 4.007
64 HA LYS 12 HA LYS 12 2.767 3.490 3.777
65 HB2 LYS 12 2HB LYS 12 1.163 1.864 1.847
66 HB3 LYS 12 1HB LYS 12 2.805 2.423 1.557
67 HG2 LYS 12 2HG LYS 12 3.493 1.224 3.624
68 HG3 LYS 12 1HG LYS 12 1.869 0.536 3.698
69 HD2 LYS 12 2HD LYS 12 3.326 -1.016 2.631
70 HD3 LYS 12 1HD LYS 12 2.188 -0.338 1.444
71 HE2 LYS 12 2HE LYS 12 3.910 1.163 0.598
72 HE3 LYS 12 1HE LYS 12 5.036 0.607 1.837
73 HZ1 LYS 12 3HZ LYS 12 3.949 -0.996 -0.425
74 HZ2 LYS 12 1HZ LYS 12 4.989 -1.572 0.786
75 HZ3 LYS 12 2HZ LYS 12 5.513 -0.383 -0.251
76 H GLN 13 H GLN 13 -0.370 4.026 2.288
77 HA GLN 13 HA GLN 13 0.533 5.709 0.222
78 HB2 GLN 13 2HB GLN 13 -2.212 5.659 1.471
79 HB3 GLN 13 1HB GLN 13 -1.795 6.168 -0.170
80 HG2 GLN 13 2HG GLN 13 -1.852 3.406 1.006
81 HG3 GLN 13 1HG GLN 13 -2.783 4.041 -0.345
82 HE21 GLN 13 1HE2 GLN 13 -0.978 1.748 -0.028
83 HE22 GLN 13 2HE2 GLN 13 0.174 1.870 -1.311
84 H CYS 14 H CYS 14 -0.702 6.249 3.464
85 HA CYS 14 HA CYS 14 -0.540 9.072 3.253
86 HB2 CYS 14 2HB CYS 14 -0.773 7.279 5.671
87 HB3 CYS 14 1HB CYS 14 -0.939 9.035 5.708
88 H GLU 15 H GLU 15 1.751 6.534 4.114
89 HA GLU 15 HA GLU 15 3.617 8.194 5.443
90 HB2 GLU 15 2HB GLU 15 3.528 5.729 5.628
91 HB3 GLU 15 1HB GLU 15 3.997 5.605 3.945
92 HG2 GLU 15 2HG GLU 15 5.877 5.175 5.296
93 HG3 GLU 15 1HG GLU 15 6.111 6.722 4.484
94 H GLU 16 H GLU 16 3.101 7.222 2.075
95 HA GLU 16 HA GLU 16 5.467 8.648 1.238
96 HB2 GLU 16 2HB GLU 16 3.295 7.433 -0.486
97 HB3 GLU 16 1HB GLU 16 4.851 8.020 -1.057
98 HG2 GLU 16 2HG GLU 16 5.904 6.295 0.450
99 HG3 GLU 16 1HG GLU 16 4.288 5.636 0.678
100 H GLY 17 H GLY 17 2.267 9.364 1.868
101 HA2 GLY 17 2HA GLY 17 1.249 11.433 1.989
102 HA3 GLY 17 1HA GLY 17 2.690 12.141 1.270
103 H ILE 18 H ILE 18 0.610 9.591 0.054
104 HA ILE 18 HA ILE 18 0.389 11.117 -2.427
105 HB ILE 18 HB ILE 18 -0.560 8.274 -1.932
106 HG12 ILE 18 2HG1 ILE 18 2.060 9.198 -3.133
107 HG13 ILE 18 1HG1 ILE 18 1.867 8.486 -1.535
108 HG21 ILE 18 1HG2 ILE 18 0.017 9.815 -4.470
109 HG22 ILE 18 2HG2 ILE 18 -1.576 9.326 -3.890
110 HG23 ILE 18 3HG2 ILE 18 -0.412 8.109 -4.404
111 HD11 ILE 18 3HD1 ILE 18 2.694 6.856 -3.136
112 HD12 ILE 18 1HD1 ILE 18 1.283 7.136 -4.159
113 HD13 ILE 18 2HD1 ILE 18 1.085 6.412 -2.563
114 H GLY 19 H GLY 19 -1.916 8.909 -0.905
115 HA2 GLY 19 2HA GLY 19 -4.087 9.204 -0.176
116 HA3 GLY 19 1HA GLY 19 -3.878 10.934 -0.385
117 H HIS 20 H HIS 20 -2.969 9.981 -3.216
118 HA HIS 20 HA HIS 20 -5.458 10.602 -4.478
119 HB2 HIS 20 2HB HIS 20 -3.336 11.502 -5.338
120 HB3 HIS 20 1HB HIS 20 -2.774 9.856 -5.613
121 HD1 HIS 20 1HD HIS 20 -2.753 9.479 -8.087
122 HD2 HIS 20 2HD HIS 20 -6.090 11.624 -6.858
123 HE1 HIS 20 1HE HIS 20 -4.149 9.815 -10.149
124 H LYS 21 H LYS 21 -6.904 9.185 -5.100
125 HA LYS 21 HA LYS 21 -7.937 7.327 -5.913
126 HB2 LYS 21 2HB LYS 21 -5.167 6.166 -6.352
127 HB3 LYS 21 1HB LYS 21 -6.669 5.461 -6.919
128 HG2 LYS 21 2HG LYS 21 -5.611 8.143 -7.780
129 HG3 LYS 21 1HG LYS 21 -5.387 6.641 -8.667
130 HD2 LYS 21 2HD LYS 21 -8.148 7.610 -7.961
131 HD3 LYS 21 1HD LYS 21 -7.297 8.266 -9.348
132 HE2 LYS 21 2HE LYS 21 -8.792 6.460 -10.029
133 HE3 LYS 21 1HE LYS 21 -7.116 6.030 -10.317
134 HZ1 LYS 21 3HZ LYS 21 -8.645 5.116 -7.945
135 HZ2 LYS 21 1HZ LYS 21 -7.150 4.562 -8.465
136 HZ3 LYS 21 2HZ LYS 21 -8.521 4.226 -9.366
137 H TYR 22 H TYR 22 -6.858 7.747 -3.138
138 HA TYR 22 HA TYR 22 -7.457 5.026 -2.240
139 HB2 TYR 22 2HB TYR 22 -5.601 6.917 -0.768
140 HB3 TYR 22 1HB TYR 22 -5.862 5.204 -0.436
141 HD1 TYR 22 2HD TYR 22 -5.577 3.946 -3.008
142 HD2 TYR 22 1HD TYR 22 -3.413 7.219 -1.411
143 HE1 TYR 22 2HE TYR 22 -3.750 3.454 -4.519
144 HE2 TYR 22 1HE TYR 22 -1.564 6.750 -2.968
145 HH TYR 22 HH TYR 22 -1.886 4.639 -5.560
146 HA PRO 23 HA PRO 23 -10.673 7.981 -0.830
147 HB2 PRO 23 2HB PRO 23 -12.646 6.116 -0.641
148 HB3 PRO 23 1HB PRO 23 -12.104 6.815 -2.186
149 HG2 PRO 23 2HG PRO 23 -11.306 4.231 -0.936
150 HG3 PRO 23 1HG PRO 23 -11.886 4.542 -2.584
151 HD2 PRO 23 2HD PRO 23 -9.300 4.302 -2.055
152 HD3 PRO 23 1HD PRO 23 -9.870 5.496 -3.241
153 H PHE 24 H PHE 24 -9.404 5.203 0.577
154 HA PHE 24 HA PHE 24 -10.713 5.560 3.122
155 HB2 PHE 24 2HB PHE 24 -9.173 3.509 3.671
156 HB3 PHE 24 1HB PHE 24 -10.589 3.287 2.648
157 HD1 PHE 24 2HD PHE 24 -10.362 2.921 0.299
158 HD2 PHE 24 1HD PHE 24 -6.929 3.342 2.743
159 HE1 PHE 24 2HE PHE 24 -9.022 2.093 -1.515
160 HE2 PHE 24 1HE PHE 24 -5.524 2.469 0.920
161 HZ PHE 24 HZ PHE 24 -6.556 1.831 -1.229
162 H CYS 25 H CYS 25 -8.051 6.830 1.573
163 HA CYS 25 HA CYS 25 -6.596 7.065 4.086
164 HB2 CYS 25 2HB CYS 25 -5.577 7.342 1.270
165 HB3 CYS 25 1HB CYS 25 -4.627 7.680 2.712
166 H HIS 26 H HIS 26 -7.669 8.712 4.941
167 HA HIS 26 HA HIS 26 -7.276 11.277 3.594
168 HB2 HIS 26 2HB HIS 26 -9.142 10.447 5.814
169 HB3 HIS 26 1HB HIS 26 -8.846 12.133 5.429
170 HD1 HIS 26 1HD HIS 26 -10.846 9.165 4.336
171 HD2 HIS 26 2HD HIS 26 -9.876 12.960 2.925
172 HE1 HIS 26 1HE HIS 26 -12.495 9.661 2.534
173 H CYS 27 H CYS 27 -5.285 11.872 4.119
174 HA CYS 27 HA CYS 27 -4.557 11.990 6.942
175 HB2 CYS 27 2HB CYS 27 -2.759 10.833 4.808
176 HB3 CYS 27 1HB CYS 27 -2.353 11.029 6.503
177 H ARG 28 H ARG 28 -4.368 14.153 7.078
178 HA ARG 28 HA ARG 28 -2.610 15.413 5.212
179 HB2 ARG 28 2HB ARG 28 -4.158 17.431 5.131
180 HB3 ARG 28 1HB ARG 28 -4.629 16.035 4.187
181 HG2 ARG 28 2HG ARG 28 -6.629 16.776 5.105
182 HG3 ARG 28 1HG ARG 28 -6.154 15.495 6.215
183 HD2 ARG 28 2HD ARG 28 -6.978 17.479 7.387
184 HD3 ARG 28 1HD ARG 28 -5.285 17.153 7.770
185 HE ARG 28 HE ARG 28 -5.407 18.898 5.596
186 HH11 ARG 28 1HH1 ARG 28 -6.143 18.960 9.059
187 HH12 ARG 28 2HH1 ARG 28 -5.779 20.619 9.227
188 HH21 ARG 28 1HH2 ARG 28 -4.874 21.118 5.852
189 HH22 ARG 28 2HH2 ARG 28 -5.027 21.866 7.381
190 HN1 NH2 29 1H ARG 28 -1.042 16.294 6.173
191 HN2 NH2 29 2H ARG 28 -1.032 16.882 7.801
Start of MODEL 11
1 H1 HIS 1 1HT HIS 1 -0.018 -13.047 7.739
2 H2 HIS 1 2HT HIS 1 0.062 -11.934 6.510
3 H3 HIS 1 3HT HIS 1 -1.247 -12.997 6.573
4 HA HIS 1 HA HIS 1 -1.833 -10.768 7.287
5 HB2 HIS 1 2HB HIS 1 -2.800 -11.302 9.483
6 HB3 HIS 1 1HB HIS 1 -2.961 -12.682 8.421
7 HD1 HIS 1 1HD HIS 1 -1.421 -11.621 11.667
8 HD2 HIS 1 2HD HIS 1 -1.377 -14.926 9.128
9 HE1 HIS 1 1HE HIS 1 -0.420 -13.498 12.991
10 H GLY 2 H GLY 2 -1.604 -9.348 9.435
11 HA2 GLY 2 2HA GLY 2 0.318 -9.197 11.137
12 HA3 GLY 2 1HA GLY 2 1.253 -8.904 9.680
13 H GLU 3 H GLU 3 1.780 -6.859 9.935
14 HA GLU 3 HA GLU 3 -0.186 -4.894 10.764
15 HB2 GLU 3 2HB GLU 3 2.685 -4.476 9.974
16 HB3 GLU 3 1HB GLU 3 1.651 -3.339 10.823
17 HG2 GLU 3 2HG GLU 3 1.543 -4.924 12.717
18 HG3 GLU 3 1HG GLU 3 2.685 -5.957 11.856
19 H GLY 4 H GLY 4 1.359 -6.060 8.052
20 HA2 GLY 4 2HA GLY 4 -0.017 -4.107 6.339
21 HA3 GLY 4 1HA GLY 4 1.657 -4.560 6.028
22 H THR 5 H THR 5 -1.635 -5.565 5.897
23 HA THR 5 HA THR 5 -1.239 -8.271 5.192
24 HB THR 5 HB THR 5 -3.544 -6.444 4.502
25 HG1 THR 5 1HG THR 5 -3.939 -6.462 6.511
26 HG21 THR 5 3HG2 THR 5 -3.418 -9.464 4.786
27 HG22 THR 5 1HG2 THR 5 -3.596 -8.573 3.273
28 HG23 THR 5 2HG2 THR 5 -4.881 -8.525 4.478
29 H PHE 6 H PHE 6 -1.271 -5.288 3.381
30 HA PHE 6 HA PHE 6 -0.680 -6.798 0.959
31 HB2 PHE 6 2HB PHE 6 -3.151 -6.088 1.241
32 HB3 PHE 6 1HB PHE 6 -2.548 -4.459 0.960
33 HD1 PHE 6 2HD PHE 6 -2.840 -7.812 -0.474
34 HD2 PHE 6 1HD PHE 6 -2.077 -3.709 -1.227
35 HE1 PHE 6 2HE PHE 6 -2.995 -8.255 -2.844
36 HE2 PHE 6 1HE PHE 6 -2.227 -4.121 -3.653
37 HZ PHE 6 HZ PHE 6 -2.686 -6.399 -4.482
38 H THR 7 H THR 7 0.640 -5.647 -0.480
39 HA THR 7 HA THR 7 2.570 -3.974 0.441
40 HB THR 7 HB THR 7 1.501 -4.026 -2.379
41 HG1 THR 7 1HG THR 7 3.176 -5.882 -1.009
42 HG21 THR 7 3HG2 THR 7 3.343 -2.456 -1.934
43 HG22 THR 7 1HG2 THR 7 3.879 -3.785 -2.965
44 HG23 THR 7 2HG2 THR 7 4.302 -3.770 -1.251
45 H SER 8 H SER 8 -0.320 -3.067 -1.453
46 HA SER 8 HA SER 8 0.108 -0.279 -1.096
47 HB2 SER 8 2HB SER 8 -2.403 -1.722 -2.000
48 HB3 SER 8 1HB SER 8 -1.968 -0.039 -2.299
49 HG SER 8 HG SER 8 -0.374 -0.666 -3.662
50 H ASP 9 H ASP 9 0.108 0.214 1.024
51 HA ASP 9 HA ASP 9 -2.161 -0.627 2.690
52 HB2 ASP 9 2HB ASP 9 0.168 -1.166 3.472
53 HB3 ASP 9 1HB ASP 9 0.430 0.585 3.533
54 H CYS 10 H CYS 10 -3.565 0.875 3.243
55 HA CYS 10 HA CYS 10 -3.744 3.372 2.148
56 HB2 CYS 10 2HB CYS 10 -5.622 2.144 3.150
57 HB3 CYS 10 1HB CYS 10 -4.954 2.428 4.752
58 H SER 11 H SER 11 -2.327 2.520 5.318
59 HA SER 11 HA SER 11 -2.008 5.268 5.972
60 HB2 SER 11 2HB SER 11 -2.415 3.489 7.711
61 HB3 SER 11 1HB SER 11 -0.803 2.866 7.362
62 HG SER 11 HG SER 11 -0.138 4.245 8.766
63 H LYS 12 H LYS 12 -0.119 2.755 4.537
64 HA LYS 12 HA LYS 12 2.430 4.015 4.687
65 HB2 LYS 12 2HB LYS 12 2.098 1.641 4.078
66 HB3 LYS 12 1HB LYS 12 1.410 2.170 2.542
67 HG2 LYS 12 2HG LYS 12 3.578 3.295 2.046
68 HG3 LYS 12 1HG LYS 12 4.230 2.566 3.516
69 HD2 LYS 12 2HD LYS 12 4.871 1.118 1.770
70 HD3 LYS 12 1HD LYS 12 3.483 0.372 2.583
71 HE2 LYS 12 2HE LYS 12 3.214 0.152 0.191
72 HE3 LYS 12 1HE LYS 12 1.993 1.240 0.825
73 HZ1 LYS 12 3HZ LYS 12 3.419 3.142 -0.008
74 HZ2 LYS 12 1HZ LYS 12 2.881 2.095 -1.184
75 HZ3 LYS 12 2HZ LYS 12 4.452 2.000 -0.665
76 H GLN 13 H GLN 13 -0.222 4.097 2.326
77 HA GLN 13 HA GLN 13 1.081 5.635 0.376
78 HB2 GLN 13 2HB GLN 13 -1.878 5.634 0.973
79 HB3 GLN 13 1HB GLN 13 -1.117 6.027 -0.562
80 HG2 GLN 13 2HG GLN 13 -1.456 3.340 0.756
81 HG3 GLN 13 1HG GLN 13 -2.173 3.910 -0.738
82 HE21 GLN 13 1HE2 GLN 13 -1.442 2.191 -1.904
83 HE22 GLN 13 2HE2 GLN 13 0.229 1.945 -2.289
84 H CYS 14 H CYS 14 -0.719 6.428 3.243
85 HA CYS 14 HA CYS 14 -0.714 9.220 2.717
86 HB2 CYS 14 2HB CYS 14 -1.448 7.618 5.139
87 HB3 CYS 14 1HB CYS 14 -1.488 9.386 5.094
88 H GLU 15 H GLU 15 1.498 7.058 4.211
89 HA GLU 15 HA GLU 15 2.942 8.998 5.683
90 HB2 GLU 15 2HB GLU 15 2.931 6.495 6.026
91 HB3 GLU 15 1HB GLU 15 3.863 6.353 4.548
92 HG2 GLU 15 2HG GLU 15 5.310 6.190 6.413
93 HG3 GLU 15 1HG GLU 15 5.622 7.711 5.571
94 H GLU 16 H GLU 16 2.955 7.685 2.471
95 HA GLU 16 HA GLU 16 5.317 9.084 1.601
96 HB2 GLU 16 2HB GLU 16 3.221 7.577 0.042
97 HB3 GLU 16 1HB GLU 16 4.754 8.147 -0.604
98 HG2 GLU 16 2HG GLU 16 5.949 6.696 0.936
99 HG3 GLU 16 1HG GLU 16 4.414 6.147 1.607
100 H GLY 17 H GLY 17 2.006 9.728 1.874
101 HA2 GLY 17 2HA GLY 17 0.950 11.803 1.651
102 HA3 GLY 17 1HA GLY 17 2.385 12.410 0.834
103 H ILE 18 H ILE 18 0.374 9.611 0.087
104 HA ILE 18 HA ILE 18 0.074 10.707 -2.594
105 HB ILE 18 HB ILE 18 -0.730 7.915 -1.675
106 HG12 ILE 18 2HG1 ILE 18 1.828 8.772 -3.041
107 HG13 ILE 18 1HG1 ILE 18 1.686 8.302 -1.344
108 HG21 ILE 18 1HG2 ILE 18 -0.541 7.397 -4.101
109 HG22 ILE 18 2HG2 ILE 18 -0.295 9.117 -4.422
110 HG23 ILE 18 3HG2 ILE 18 -1.815 8.548 -3.736
111 HD11 ILE 18 3HD1 ILE 18 2.585 6.494 -2.702
112 HD12 ILE 18 1HD1 ILE 18 1.148 6.551 -3.725
113 HD13 ILE 18 2HD1 ILE 18 1.005 6.065 -2.038
114 H GLY 19 H GLY 19 -2.264 8.565 -1.014
115 HA2 GLY 19 2HA GLY 19 -4.488 8.909 -0.421
116 HA3 GLY 19 1HA GLY 19 -4.260 10.631 -0.687
117 H HIS 20 H HIS 20 -3.104 9.505 -3.345
118 HA HIS 20 HA HIS 20 -5.294 10.234 -4.985
119 HB2 HIS 20 2HB HIS 20 -2.843 10.589 -5.484
120 HB3 HIS 20 1HB HIS 20 -2.724 8.871 -5.798
121 HD1 HIS 20 1HD HIS 20 -3.548 12.070 -7.399
122 HD2 HIS 20 2HD HIS 20 -4.187 8.027 -8.142
123 HE1 HIS 20 1HE HIS 20 -4.153 11.898 -9.838
124 H LYS 21 H LYS 21 -6.953 9.019 -5.410
125 HA LYS 21 HA LYS 21 -8.304 7.330 -5.919
126 HB2 LYS 21 2HB LYS 21 -5.733 5.973 -6.633
127 HB3 LYS 21 1HB LYS 21 -7.220 5.040 -6.572
128 HG2 LYS 21 2HG LYS 21 -6.867 7.522 -8.234
129 HG3 LYS 21 1HG LYS 21 -6.610 5.880 -8.833
130 HD2 LYS 21 2HD LYS 21 -8.902 5.292 -8.368
131 HD3 LYS 21 1HD LYS 21 -9.205 6.854 -7.621
132 HE2 LYS 21 2HE LYS 21 -8.428 6.434 -10.495
133 HE3 LYS 21 1HE LYS 21 -10.079 6.679 -9.923
134 HZ1 LYS 21 3HZ LYS 21 -9.153 8.730 -10.713
135 HZ2 LYS 21 1HZ LYS 21 -7.834 8.609 -9.670
136 HZ3 LYS 21 2HZ LYS 21 -9.380 8.833 -9.054
137 H TYR 22 H TYR 22 -6.999 7.745 -3.233
138 HA TYR 22 HA TYR 22 -8.013 5.216 -2.151
139 HB2 TYR 22 2HB TYR 22 -5.914 6.922 -0.793
140 HB3 TYR 22 1HB TYR 22 -6.387 5.279 -0.383
141 HD1 TYR 22 2HD TYR 22 -6.272 3.959 -3.028
142 HD2 TYR 22 1HD TYR 22 -3.645 6.815 -1.292
143 HE1 TYR 22 2HE TYR 22 -4.518 3.193 -4.477
144 HE2 TYR 22 1HE TYR 22 -1.855 6.070 -2.772
145 HH TYR 22 HH TYR 22 -2.367 4.131 -5.440
146 HA PRO 23 HA PRO 23 -10.728 8.731 -0.845
147 HB2 PRO 23 2HB PRO 23 -13.028 7.282 -0.756
148 HB3 PRO 23 1HB PRO 23 -12.318 7.878 -2.269
149 HG2 PRO 23 2HG PRO 23 -12.063 5.161 -1.058
150 HG3 PRO 23 1HG PRO 23 -12.509 5.606 -2.716
151 HD2 PRO 23 2HD PRO 23 -10.019 4.872 -2.098
152 HD3 PRO 23 1HD PRO 23 -10.323 6.149 -3.290
153 H PHE 24 H PHE 24 -10.047 5.724 0.528
154 HA PHE 24 HA PHE 24 -11.285 6.291 3.090
155 HB2 PHE 24 2HB PHE 24 -10.195 3.929 3.535
156 HB3 PHE 24 1HB PHE 24 -11.673 4.073 2.585
157 HD1 PHE 24 2HD PHE 24 -8.000 3.607 2.348
158 HD2 PHE 24 1HD PHE 24 -11.738 3.485 0.333
159 HE1 PHE 24 2HE PHE 24 -6.925 2.558 0.414
160 HE2 PHE 24 1HE PHE 24 -10.695 2.472 -1.592
161 HZ PHE 24 HZ PHE 24 -8.262 1.979 -1.578
162 H CYS 25 H CYS 25 -8.539 7.212 1.633
163 HA CYS 25 HA CYS 25 -6.978 6.965 4.084
164 HB2 CYS 25 2HB CYS 25 -5.996 7.419 1.272
165 HB3 CYS 25 1HB CYS 25 -4.990 7.306 2.707
166 H HIS 26 H HIS 26 -7.708 8.748 5.114
167 HA HIS 26 HA HIS 26 -7.347 11.330 3.835
168 HB2 HIS 26 2HB HIS 26 -8.209 10.633 6.679
169 HB3 HIS 26 1HB HIS 26 -8.274 12.229 5.944
170 HD1 HIS 26 1HD HIS 26 -10.159 9.031 6.186
171 HD2 HIS 26 2HD HIS 26 -10.307 12.550 3.979
172 HE1 HIS 26 1HE HIS 26 -12.412 9.054 5.088
173 H CYS 27 H CYS 27 -5.285 11.827 3.688
174 HA CYS 27 HA CYS 27 -3.419 10.479 5.354
175 HB2 CYS 27 2HB CYS 27 -2.959 12.374 3.079
176 HB3 CYS 27 1HB CYS 27 -1.724 11.398 3.864
177 H ARG 28 H ARG 28 -1.794 11.312 6.537
178 HA ARG 28 HA ARG 28 -2.384 13.374 8.287
179 HB2 ARG 28 2HB ARG 28 -0.034 13.021 9.097
180 HB3 ARG 28 1HB ARG 28 -1.000 11.560 9.013
181 HG2 ARG 28 2HG ARG 28 0.133 10.936 6.914
182 HG3 ARG 28 1HG ARG 28 1.086 12.413 7.002
183 HD2 ARG 28 2HD ARG 28 1.127 10.129 8.982
184 HD3 ARG 28 1HD ARG 28 2.380 10.498 7.801
185 HE ARG 28 HE ARG 28 1.766 12.646 9.609
186 HH11 ARG 28 1HH1 ARG 28 4.016 9.917 9.003
187 HH12 ARG 28 2HH1 ARG 28 5.023 10.344 10.292
188 HH21 ARG 28 1HH2 ARG 28 3.191 13.186 11.307
189 HH22 ARG 28 2HH2 ARG 28 4.573 12.226 11.636
190 HN1 NH2 29 1H ARG 28 -2.750 15.284 7.268
191 HN2 NH2 29 2H ARG 28 -1.523 16.236 6.513
Start of MODEL 12
1 H1 HIS 1 1HT HIS 1 12.838 -13.445 -4.021
2 H2 HIS 1 2HT HIS 1 12.277 -13.585 -5.572
3 H3 HIS 1 3HT HIS 1 12.581 -14.984 -4.682
4 HA HIS 1 HA HIS 1 10.217 -14.505 -4.841
5 HB2 HIS 1 2HB HIS 1 11.355 -13.933 -2.080
6 HB3 HIS 1 1HB HIS 1 9.679 -14.352 -2.402
7 HD1 HIS 1 1HD HIS 1 12.739 -15.860 -1.317
8 HD2 HIS 1 2HD HIS 1 9.565 -17.067 -3.714
9 HE1 HIS 1 1HE HIS 1 12.835 -18.374 -1.387
10 H GLY 2 H GLY 2 8.647 -12.891 -3.347
11 HA2 GLY 2 2HA GLY 2 9.354 -10.278 -4.465
12 HA3 GLY 2 1HA GLY 2 7.716 -10.850 -4.173
13 H GLU 3 H GLU 3 8.687 -8.408 -3.289
14 HA GLU 3 HA GLU 3 8.451 -8.774 -0.395
15 HB2 GLU 3 2HB GLU 3 10.086 -6.947 -0.030
16 HB3 GLU 3 1HB GLU 3 10.809 -8.351 -0.799
17 HG2 GLU 3 2HG GLU 3 10.728 -7.220 -2.956
18 HG3 GLU 3 1HG GLU 3 9.959 -5.828 -2.204
19 H GLY 4 H GLY 4 6.742 -7.958 -2.749
20 HA2 GLY 4 2HA GLY 4 5.672 -5.518 -1.551
21 HA3 GLY 4 1HA GLY 4 6.104 -5.478 -3.253
22 H THR 5 H THR 5 4.421 -7.758 -1.104
23 HA THR 5 HA THR 5 2.671 -8.669 -3.139
24 HB THR 5 HB THR 5 2.373 -8.863 -0.128
25 HG1 THR 5 1HG THR 5 4.187 -9.857 -1.748
26 HG21 THR 5 3HG2 THR 5 1.188 -10.551 -2.359
27 HG22 THR 5 1HG2 THR 5 0.300 -9.414 -1.343
28 HG23 THR 5 2HG2 THR 5 1.006 -10.864 -0.632
29 H PHE 6 H PHE 6 2.325 -6.350 -0.489
30 HA PHE 6 HA PHE 6 -0.091 -5.403 -1.806
31 HB2 PHE 6 2HB PHE 6 -0.343 -6.775 0.417
32 HB3 PHE 6 1HB PHE 6 0.264 -5.309 1.172
33 HD1 PHE 6 1HD PHE 6 -1.065 -3.261 1.147
34 HD2 PHE 6 2HD PHE 6 -2.488 -6.878 -0.546
35 HE1 PHE 6 1HE PHE 6 -3.351 -2.337 1.094
36 HE2 PHE 6 2HE PHE 6 -4.740 -5.998 -0.612
37 HZ PHE 6 HZ PHE 6 -5.202 -3.698 0.208
38 H THR 7 H THR 7 0.335 -3.449 -2.482
39 HA THR 7 HA THR 7 2.305 -1.850 -1.008
40 HB THR 7 HB THR 7 2.920 -2.392 -3.350
41 HG1 THR 7 1HG THR 7 3.633 -0.437 -3.821
42 HG21 THR 7 3HG2 THR 7 0.465 -0.792 -4.086
43 HG22 THR 7 1HG2 THR 7 0.692 -2.523 -4.334
44 HG23 THR 7 2HG2 THR 7 1.690 -1.370 -5.219
45 H SER 8 H SER 8 -0.968 -2.138 -1.755
46 HA SER 8 HA SER 8 -1.601 0.653 -1.885
47 HB2 SER 8 2HB SER 8 -3.419 -1.747 -1.679
48 HB3 SER 8 1HB SER 8 -3.883 -0.114 -2.156
49 HG SER 8 HG SER 8 -3.436 -0.755 -4.078
50 H ASP 9 H ASP 9 -0.506 -0.796 0.673
51 HA ASP 9 HA ASP 9 -2.406 -0.763 2.703
52 HB2 ASP 9 2HB ASP 9 0.545 -0.195 2.801
53 HB3 ASP 9 1HB ASP 9 -0.440 -0.217 4.255
54 H CYS 10 H CYS 10 -3.406 0.741 3.825
55 HA CYS 10 HA CYS 10 -3.540 3.319 2.729
56 HB2 CYS 10 2HB CYS 10 -5.380 2.054 3.985
57 HB3 CYS 10 1HB CYS 10 -4.595 2.608 5.463
58 H SER 11 H SER 11 -1.948 2.091 5.652
59 HA SER 11 HA SER 11 -1.094 4.574 6.641
60 HB2 SER 11 2HB SER 11 0.230 1.864 6.921
61 HB3 SER 11 1HB SER 11 0.513 3.268 7.951
62 HG SER 11 HG SER 11 -1.216 1.428 8.333
63 H LYS 12 H LYS 12 0.177 2.425 4.172
64 HA LYS 12 HA LYS 12 2.687 3.687 3.978
65 HB2 LYS 12 2HB LYS 12 2.416 1.435 3.103
66 HB3 LYS 12 1HB LYS 12 1.212 2.022 1.951
67 HG2 LYS 12 2HG LYS 12 2.897 3.417 0.882
68 HG3 LYS 12 1HG LYS 12 4.104 2.830 2.019
69 HD2 LYS 12 2HD LYS 12 3.875 0.610 1.176
70 HD3 LYS 12 1HD LYS 12 2.562 1.110 0.098
71 HE2 LYS 12 2HE LYS 12 4.086 2.600 -1.075
72 HE3 LYS 12 1HE LYS 12 5.392 2.162 0.019
73 HZ1 LYS 12 3HZ LYS 12 5.596 0.973 -1.997
74 HZ2 LYS 12 1HZ LYS 12 4.024 0.357 -1.901
75 HZ3 LYS 12 2HZ LYS 12 5.193 -0.118 -0.781
76 H GLN 13 H GLN 13 -0.441 4.072 2.326
77 HA GLN 13 HA GLN 13 0.553 5.807 0.408
78 HB2 GLN 13 2HB GLN 13 -2.256 5.435 1.400
79 HB3 GLN 13 1HB GLN 13 -1.789 6.248 -0.096
80 HG2 GLN 13 2HG GLN 13 -1.357 3.353 0.599
81 HG3 GLN 13 1HG GLN 13 -2.443 4.009 -0.628
82 HE21 GLN 13 1HE2 GLN 13 -0.184 2.134 -0.885
83 HE22 GLN 13 2HE2 GLN 13 0.845 2.853 -2.048
84 H CYS 14 H CYS 14 -0.569 6.300 3.635
85 HA CYS 14 HA CYS 14 -0.658 9.129 3.349
86 HB2 CYS 14 2HB CYS 14 -0.672 7.375 5.785
87 HB3 CYS 14 1HB CYS 14 -0.832 9.131 5.844
88 H GLU 15 H GLU 15 1.833 6.804 4.420
89 HA GLU 15 HA GLU 15 3.564 8.924 5.253
90 HB2 GLU 15 2HB GLU 15 5.335 7.244 5.479
91 HB3 GLU 15 1HB GLU 15 3.831 6.605 6.130
92 HG2 GLU 15 2HG GLU 15 3.484 5.298 4.225
93 HG3 GLU 15 1HG GLU 15 4.868 5.991 3.403
94 H GLU 16 H GLU 16 3.022 7.215 2.263
95 HA GLU 16 HA GLU 16 5.165 8.443 0.844
96 HB2 GLU 16 2HB GLU 16 2.611 7.153 -0.132
97 HB3 GLU 16 1HB GLU 16 3.894 7.715 -1.192
98 HG2 GLU 16 2HG GLU 16 4.169 5.574 0.904
99 HG3 GLU 16 1HG GLU 16 3.966 5.298 -0.824
100 H GLY 17 H GLY 17 2.005 9.361 1.786
101 HA2 GLY 17 2HA GLY 17 1.009 11.433 1.781
102 HA3 GLY 17 1HA GLY 17 2.442 12.070 0.983
103 H ILE 18 H ILE 18 0.425 9.434 -0.113
104 HA ILE 18 HA ILE 18 0.102 10.905 -2.613
105 HB ILE 18 HB ILE 18 -0.566 7.982 -2.087
106 HG12 ILE 18 2HG1 ILE 18 1.820 9.219 -3.430
107 HG13 ILE 18 1HG1 ILE 18 1.837 8.454 -1.838
108 HG21 ILE 18 1HG2 ILE 18 -1.811 8.869 -3.983
109 HG22 ILE 18 2HG2 ILE 18 -0.522 7.820 -4.570
110 HG23 ILE 18 3HG2 ILE 18 -0.339 9.570 -4.652
111 HD11 ILE 18 3HD1 ILE 18 2.758 6.989 -3.552
112 HD12 ILE 18 1HD1 ILE 18 1.253 7.122 -4.468
113 HD13 ILE 18 2HD1 ILE 18 1.254 6.327 -2.896
114 H GLY 19 H GLY 19 -2.098 8.580 -1.087
115 HA2 GLY 19 2HA GLY 19 -4.323 8.778 -0.447
116 HA3 GLY 19 1HA GLY 19 -4.174 10.513 -0.633
117 H HIS 20 H HIS 20 -3.141 9.672 -3.447
118 HA HIS 20 HA HIS 20 -5.594 10.095 -4.864
119 HB2 HIS 20 2HB HIS 20 -3.389 10.970 -5.656
120 HB3 HIS 20 1HB HIS 20 -2.846 9.310 -5.861
121 HD1 HIS 20 1HD HIS 20 -2.947 8.584 -8.296
122 HD2 HIS 20 2HD HIS 20 -5.866 11.382 -7.318
123 HE1 HIS 20 1HE HIS 20 -4.190 9.063 -10.418
124 H LYS 21 H LYS 21 -6.973 8.527 -5.459
125 HA LYS 21 HA LYS 21 -7.844 6.514 -6.061
126 HB2 LYS 21 2HB LYS 21 -4.994 5.489 -6.139
127 HB3 LYS 21 1HB LYS 21 -6.414 4.599 -6.673
128 HG2 LYS 21 2HG LYS 21 -6.792 6.151 -8.460
129 HG3 LYS 21 1HG LYS 21 -5.521 7.215 -7.860
130 HD2 LYS 21 2HD LYS 21 -4.768 5.930 -9.781
131 HD3 LYS 21 1HD LYS 21 -3.854 5.494 -8.342
132 HE2 LYS 21 2HE LYS 21 -5.248 3.493 -8.070
133 HE3 LYS 21 1HE LYS 21 -6.170 3.958 -9.500
134 HZ1 LYS 21 3HZ LYS 21 -4.459 2.274 -9.948
135 HZ2 LYS 21 1HZ LYS 21 -3.264 3.374 -9.493
136 HZ3 LYS 21 2HZ LYS 21 -4.230 3.683 -10.842
137 H TYR 22 H TYR 22 -6.882 7.426 -3.324
138 HA TYR 22 HA TYR 22 -7.662 4.916 -2.056
139 HB2 TYR 22 2HB TYR 22 -5.697 6.825 -0.785
140 HB3 TYR 22 1HB TYR 22 -6.069 5.178 -0.296
141 HD1 TYR 22 2HD TYR 22 -5.716 3.497 -2.464
142 HD2 TYR 22 1HD TYR 22 -3.597 7.067 -1.646
143 HE1 TYR 22 2HE TYR 22 -3.903 2.711 -3.859
144 HE2 TYR 22 1HE TYR 22 -1.768 6.337 -3.078
145 HH TYR 22 HH TYR 22 -0.851 4.211 -3.851
146 HA PRO 23 HA PRO 23 -10.578 8.342 -1.293
147 HB2 PRO 23 2HB PRO 23 -12.674 6.703 -0.613
148 HB3 PRO 23 1HB PRO 23 -12.196 7.117 -2.270
149 HG2 PRO 23 2HG PRO 23 -11.542 4.658 -0.710
150 HG3 PRO 23 1HG PRO 23 -12.098 4.809 -2.386
151 HD2 PRO 23 2HD PRO 23 -9.532 4.416 -1.783
152 HD3 PRO 23 1HD PRO 23 -10.005 5.440 -3.150
153 H PHE 24 H PHE 24 -9.987 5.636 0.800
154 HA PHE 24 HA PHE 24 -10.969 7.062 3.107
155 HB2 PHE 24 2HB PHE 24 -10.286 4.812 4.241
156 HB3 PHE 24 1HB PHE 24 -11.712 4.882 3.209
157 HD1 PHE 24 2HD PHE 24 -8.195 3.780 3.384
158 HD2 PHE 24 1HD PHE 24 -11.823 3.717 1.175
159 HE1 PHE 24 2HE PHE 24 -7.286 2.040 1.943
160 HE2 PHE 24 1HE PHE 24 -10.921 1.999 -0.287
161 HZ PHE 24 HZ PHE 24 -8.635 1.133 0.091
162 H CYS 25 H CYS 25 -8.031 6.869 1.516
163 HA CYS 25 HA CYS 25 -6.559 7.076 4.018
164 HB2 CYS 25 2HB CYS 25 -5.430 6.936 1.223
165 HB3 CYS 25 1HB CYS 25 -4.504 6.925 2.716
166 H HIS 26 H HIS 26 -7.751 8.950 4.356
167 HA HIS 26 HA HIS 26 -6.334 11.165 3.204
168 HB2 HIS 26 2HB HIS 26 -8.249 12.627 4.037
169 HB3 HIS 26 1HB HIS 26 -8.577 11.528 2.703
170 HD1 HIS 26 1HD HIS 26 -9.803 12.466 6.040
171 HD2 HIS 26 2HD HIS 26 -10.106 9.283 3.414
172 HE1 HIS 26 1HE HIS 26 -11.867 11.188 6.752
173 H CYS 27 H CYS 27 -4.697 11.553 4.307
174 HA CYS 27 HA CYS 27 -4.923 11.591 7.203
175 HB2 CYS 27 2HB CYS 27 -2.569 10.891 5.441
176 HB3 CYS 27 1HB CYS 27 -2.465 11.092 7.187
177 H ARG 28 H ARG 28 -3.678 13.201 8.280
178 HA ARG 28 HA ARG 28 -3.770 15.688 6.843
179 HB2 ARG 28 2HB ARG 28 -3.272 16.682 9.128
180 HB3 ARG 28 1HB ARG 28 -4.770 15.786 8.992
181 HG2 ARG 28 2HG ARG 28 -3.726 13.857 10.081
182 HG3 ARG 28 1HG ARG 28 -2.215 14.759 10.212
183 HD2 ARG 28 2HD ARG 28 -3.264 16.377 11.653
184 HD3 ARG 28 1HD ARG 28 -4.835 15.608 11.432
185 HE ARG 28 HE ARG 28 -3.036 13.707 12.398
186 HH11 ARG 28 1HH1 ARG 28 -4.538 16.694 13.580
187 HH12 ARG 28 2HH1 ARG 28 -4.705 16.144 15.174
188 HH21 ARG 28 1HH2 ARG 28 -3.217 12.990 14.634
189 HH22 ARG 28 2HH2 ARG 28 -3.942 14.023 15.789
190 HN1 NH2 29 1H ARG 28 -2.066 15.365 5.434
191 HN2 NH2 29 2H ARG 28 -0.418 15.578 5.921
Start of MODEL 13
1 H1 HIS 1 1HT HIS 1 1.000 -2.089 -11.982
2 H2 HIS 1 2HT HIS 1 1.247 -1.372 -10.462
3 H3 HIS 1 3HT HIS 1 0.574 -2.910 -10.553
4 HA HIS 1 HA HIS 1 2.595 -3.793 -11.456
5 HB2 HIS 1 2HB HIS 1 3.402 -1.672 -12.499
6 HB3 HIS 1 1HB HIS 1 3.664 -1.002 -10.897
7 HD1 HIS 1 1HD HIS 1 5.235 -3.217 -13.462
8 HD2 HIS 1 2HD HIS 1 5.895 -2.058 -9.518
9 HE1 HIS 1 1HE HIS 1 7.570 -3.940 -12.909
10 H GLY 2 H GLY 2 3.226 -5.103 -9.911
11 HA2 GLY 2 2HA GLY 2 4.324 -5.609 -7.884
12 HA3 GLY 2 1HA GLY 2 3.874 -4.023 -7.273
13 H GLU 3 H GLU 3 1.433 -5.740 -8.891
14 HA GLU 3 HA GLU 3 -0.319 -5.724 -6.707
15 HB2 GLU 3 2HB GLU 3 -0.409 -7.215 -9.321
16 HB3 GLU 3 1HB GLU 3 -1.687 -7.358 -8.128
17 HG2 GLU 3 2HG GLU 3 -2.302 -5.785 -9.862
18 HG3 GLU 3 1HG GLU 3 -2.124 -4.959 -8.321
19 H GLY 4 H GLY 4 -1.047 -7.305 -5.384
20 HA2 GLY 4 2HA GLY 4 -1.035 -9.506 -4.443
21 HA3 GLY 4 1HA GLY 4 0.435 -9.848 -5.359
22 H THR 5 H THR 5 2.100 -7.929 -4.796
23 HA THR 5 HA THR 5 2.818 -8.226 -2.028
24 HB THR 5 HB THR 5 3.925 -6.530 -4.276
25 HG1 THR 5 1HG THR 5 5.489 -8.554 -3.338
26 HG21 THR 5 3HG2 THR 5 5.952 -6.255 -2.868
27 HG22 THR 5 1HG2 THR 5 5.122 -7.071 -1.540
28 HG23 THR 5 2HG2 THR 5 4.530 -5.520 -2.136
29 H PHE 6 H PHE 6 1.661 -5.709 -4.193
30 HA PHE 6 HA PHE 6 0.954 -4.078 -1.889
31 HB2 PHE 6 2HB PHE 6 3.059 -3.412 -3.141
32 HB3 PHE 6 1HB PHE 6 2.020 -3.080 -4.517
33 HD1 PHE 6 2HD PHE 6 0.422 -1.194 -4.424
34 HD2 PHE 6 1HD PHE 6 3.161 -2.018 -1.286
35 HE1 PHE 6 2HE PHE 6 0.066 1.051 -3.536
36 HE2 PHE 6 1HE PHE 6 2.835 0.198 -0.389
37 HZ PHE 6 HZ PHE 6 1.280 1.776 -1.494
38 H THR 7 H THR 7 -1.134 -3.815 -1.965
39 HA THR 7 HA THR 7 -2.419 -3.710 -4.558
40 HB THR 7 HB THR 7 -3.442 -5.505 -3.379
41 HG1 THR 7 1HG THR 7 -5.245 -4.776 -4.004
42 HG21 THR 7 3HG2 THR 7 -2.605 -5.102 -1.146
43 HG22 THR 7 1HG2 THR 7 -4.352 -5.345 -1.087
44 HG23 THR 7 2HG2 THR 7 -3.677 -3.716 -0.965
45 H SER 8 H SER 8 -2.402 -2.281 -1.320
46 HA SER 8 HA SER 8 -1.794 0.237 -1.864
47 HB2 SER 8 2HB SER 8 -3.932 0.342 -3.230
48 HB3 SER 8 1HB SER 8 -4.819 0.104 -1.720
49 HG SER 8 HG SER 8 -4.165 2.372 -2.647
50 H ASP 9 H ASP 9 -0.864 0.061 0.105
51 HA ASP 9 HA ASP 9 -2.571 -0.536 2.407
52 HB2 ASP 9 2HB ASP 9 -0.239 -1.506 2.384
53 HB3 ASP 9 1HB ASP 9 0.333 0.179 2.402
54 H CYS 10 H CYS 10 -3.528 0.997 3.475
55 HA CYS 10 HA CYS 10 -3.405 3.646 2.653
56 HB2 CYS 10 2HB CYS 10 -5.308 2.470 3.870
57 HB3 CYS 10 1HB CYS 10 -4.405 2.778 5.353
58 H SER 11 H SER 11 -1.705 1.962 5.264
59 HA SER 11 HA SER 11 -0.837 4.337 6.434
60 HB2 SER 11 2HB SER 11 -0.815 2.161 7.662
61 HB3 SER 11 1HB SER 11 0.527 1.646 6.641
62 HG SER 11 HG SER 11 1.830 3.255 7.539
63 H LYS 12 H LYS 12 0.516 2.249 3.972
64 HA LYS 12 HA LYS 12 2.999 3.614 3.823
65 HB2 LYS 12 2HB LYS 12 1.603 2.004 1.685
66 HB3 LYS 12 1HB LYS 12 3.300 2.483 1.672
67 HG2 LYS 12 2HG LYS 12 3.703 1.205 3.678
68 HG3 LYS 12 1HG LYS 12 2.006 0.749 3.747
69 HD2 LYS 12 2HD LYS 12 2.311 -0.305 1.497
70 HD3 LYS 12 1HD LYS 12 4.055 -0.036 1.696
71 HE2 LYS 12 2HE LYS 12 3.914 -1.236 3.848
72 HE3 LYS 12 1HE LYS 12 2.214 -1.534 3.480
73 HZ1 LYS 12 3HZ LYS 12 3.591 -3.456 2.935
74 HZ2 LYS 12 1HZ LYS 12 4.517 -2.552 1.870
75 HZ3 LYS 12 2HZ LYS 12 2.903 -2.845 1.531
76 H GLN 13 H GLN 13 -0.051 3.914 2.122
77 HA GLN 13 HA GLN 13 0.631 5.926 0.334
78 HB2 GLN 13 2HB GLN 13 -2.001 5.669 1.782
79 HB3 GLN 13 1HB GLN 13 -1.714 6.574 0.310
80 HG2 GLN 13 2HG GLN 13 -1.767 3.600 0.699
81 HG3 GLN 13 1HG GLN 13 -2.799 4.590 -0.323
82 HE21 GLN 13 1HE2 GLN 13 -1.501 2.361 -1.185
83 HE22 GLN 13 2HE2 GLN 13 -0.317 2.814 -2.380
84 H CYS 14 H CYS 14 -0.569 6.250 3.662
85 HA CYS 14 HA CYS 14 -0.460 9.084 3.576
86 HB2 CYS 14 2HB CYS 14 -0.755 7.224 5.938
87 HB3 CYS 14 1HB CYS 14 -1.004 8.969 5.978
88 H GLU 15 H GLU 15 1.813 6.617 4.663
89 HA GLU 15 HA GLU 15 3.552 8.527 5.849
90 HB2 GLU 15 2HB GLU 15 4.037 5.654 5.050
91 HB3 GLU 15 1HB GLU 15 5.199 6.643 5.928
92 HG2 GLU 15 2HG GLU 15 3.584 6.926 7.746
93 HG3 GLU 15 1HG GLU 15 2.433 5.925 6.870
94 H GLU 16 H GLU 16 3.224 7.189 2.635
95 HA GLU 16 HA GLU 16 5.577 8.508 1.698
96 HB2 GLU 16 2HB GLU 16 3.236 7.325 0.192
97 HB3 GLU 16 1HB GLU 16 4.619 8.060 -0.604
98 HG2 GLU 16 2HG GLU 16 6.087 6.399 0.485
99 HG3 GLU 16 1HG GLU 16 4.661 5.641 1.189
100 H GLY 17 H GLY 17 2.437 9.421 2.444
101 HA2 GLY 17 2HA GLY 17 1.737 11.624 2.784
102 HA3 GLY 17 1HA GLY 17 3.086 12.174 1.799
103 H ILE 18 H ILE 18 0.823 9.720 0.804
104 HA ILE 18 HA ILE 18 0.095 11.484 -1.406
105 HB ILE 18 HB ILE 18 -0.498 8.522 -1.199
106 HG12 ILE 18 2HG1 ILE 18 1.817 9.896 -2.586
107 HG13 ILE 18 1HG1 ILE 18 1.940 8.986 -1.086
108 HG21 ILE 18 1HG2 ILE 18 -0.695 8.748 -3.683
109 HG22 ILE 18 2HG2 ILE 18 -0.476 10.491 -3.509
110 HG23 ILE 18 3HG2 ILE 18 -1.884 9.708 -2.808
111 HD11 ILE 18 3HD1 ILE 18 1.220 6.978 -2.258
112 HD12 ILE 18 1HD1 ILE 18 2.678 7.672 -2.967
113 HD13 ILE 18 2HD1 ILE 18 1.117 7.902 -3.758
114 H GLY 19 H GLY 19 -1.932 8.882 -0.131
115 HA2 GLY 19 2HA GLY 19 -4.093 8.966 0.699
116 HA3 GLY 19 1HA GLY 19 -3.782 10.644 1.139
117 H HIS 20 H HIS 20 -3.482 9.388 -2.118
118 HA HIS 20 HA HIS 20 -5.799 10.979 -2.928
119 HB2 HIS 20 2HB HIS 20 -3.747 12.286 -3.342
120 HB3 HIS 20 1HB HIS 20 -3.074 10.917 -4.223
121 HD1 HIS 20 1HD HIS 20 -3.109 11.464 -6.670
122 HD2 HIS 20 2HD HIS 20 -6.498 12.826 -4.698
123 HE1 HIS 20 1HE HIS 20 -4.582 12.477 -8.441
124 H LYS 21 H LYS 21 -7.143 9.823 -4.085
125 HA LYS 21 HA LYS 21 -8.088 8.272 -5.421
126 HB2 LYS 21 2HB LYS 21 -5.283 7.504 -6.283
127 HB3 LYS 21 1HB LYS 21 -6.763 6.964 -7.053
128 HG2 LYS 21 2HG LYS 21 -5.755 9.808 -6.936
129 HG3 LYS 21 1HG LYS 21 -5.689 8.761 -8.344
130 HD2 LYS 21 2HD LYS 21 -8.229 9.675 -6.973
131 HD3 LYS 21 1HD LYS 21 -7.546 10.414 -8.413
132 HE2 LYS 21 2HE LYS 21 -8.456 7.533 -8.217
133 HE3 LYS 21 1HE LYS 21 -9.401 8.855 -8.893
134 HZ1 LYS 21 3HZ LYS 21 -8.329 7.628 -10.634
135 HZ2 LYS 21 1HZ LYS 21 -6.794 7.900 -9.972
136 HZ3 LYS 21 2HZ LYS 21 -7.715 9.178 -10.559
137 H TYR 22 H TYR 22 -7.194 7.917 -2.720
138 HA TYR 22 HA TYR 22 -7.476 5.025 -2.599
139 HB2 TYR 22 2HB TYR 22 -5.779 6.629 -0.634
140 HB3 TYR 22 1HB TYR 22 -5.898 4.874 -0.746
141 HD1 TYR 22 1HD TYR 22 -5.532 4.366 -3.572
142 HD2 TYR 22 2HD TYR 22 -3.505 7.194 -1.108
143 HE1 TYR 22 1HE TYR 22 -3.678 4.373 -5.122
144 HE2 TYR 22 2HE TYR 22 -1.657 7.216 -2.678
145 HH TYR 22 HH TYR 22 -1.832 5.985 -5.750
146 HA PRO 23 HA PRO 23 -11.003 7.308 -0.841
147 HB2 PRO 23 2HB PRO 23 -12.728 5.189 -0.832
148 HB3 PRO 23 1HB PRO 23 -12.286 6.124 -2.273
149 HG2 PRO 23 2HG PRO 23 -11.134 3.532 -1.350
150 HG3 PRO 23 1HG PRO 23 -11.757 3.973 -2.954
151 HD2 PRO 23 2HD PRO 23 -9.167 4.008 -2.433
152 HD3 PRO 23 1HD PRO 23 -9.896 5.271 -3.449
153 H PHE 24 H PHE 24 -9.360 4.727 0.481
154 HA PHE 24 HA PHE 24 -10.819 4.784 2.984
155 HB2 PHE 24 2HB PHE 24 -9.116 2.850 3.470
156 HB3 PHE 24 1HB PHE 24 -10.494 2.564 2.414
157 HD1 PHE 24 2HD PHE 24 -10.214 2.328 0.049
158 HD2 PHE 24 1HD PHE 24 -6.856 2.933 2.566
159 HE1 PHE 24 2HE PHE 24 -8.781 1.696 -1.782
160 HE2 PHE 24 1HE PHE 24 -5.361 2.273 0.722
161 HZ PHE 24 HZ PHE 24 -6.310 1.649 -1.464
162 H CYS 25 H CYS 25 -8.581 6.688 1.709
163 HA CYS 25 HA CYS 25 -7.133 6.950 4.247
164 HB2 CYS 25 2HB CYS 25 -6.007 7.364 1.483
165 HB3 CYS 25 1HB CYS 25 -5.162 7.653 2.994
166 H HIS 26 H HIS 26 -7.791 8.820 5.128
167 HA HIS 26 HA HIS 26 -7.876 11.136 3.344
168 HB2 HIS 26 2HB HIS 26 -9.050 10.794 6.131
169 HB3 HIS 26 1HB HIS 26 -8.982 12.325 5.276
170 HD1 HIS 26 1HD HIS 26 -11.110 9.360 5.699
171 HD2 HIS 26 2HD HIS 26 -10.526 12.347 2.868
172 HE1 HIS 26 1HE HIS 26 -13.149 9.324 4.234
173 H CYS 27 H CYS 27 -5.862 11.752 3.211
174 HA CYS 27 HA CYS 27 -4.405 12.395 5.616
175 HB2 CYS 27 2HB CYS 27 -3.367 10.461 3.513
176 HB3 CYS 27 1HB CYS 27 -2.368 11.187 4.762
177 H ARG 28 H ARG 28 -2.427 13.608 4.981
178 HA ARG 28 HA ARG 28 -3.192 15.632 3.138
179 HB2 ARG 28 2HB ARG 28 -0.554 15.268 4.572
180 HB3 ARG 28 1HB ARG 28 -1.117 16.741 3.802
181 HG2 ARG 28 2HG ARG 28 -2.379 15.404 6.186
182 HG3 ARG 28 1HG ARG 28 -1.344 16.826 6.232
183 HD2 ARG 28 2HD ARG 28 -4.009 16.645 4.802
184 HD3 ARG 28 1HD ARG 28 -3.779 17.352 6.393
185 HE ARG 28 HE ARG 28 -2.095 18.531 4.408
186 HH11 ARG 28 1HH1 ARG 28 -5.413 18.612 5.669
187 HH12 ARG 28 2HH1 ARG 28 -5.662 20.250 5.263
188 HH21 ARG 28 1HH2 ARG 28 -2.463 20.749 3.863
189 HH22 ARG 28 2HH2 ARG 28 -3.941 21.507 4.212
190 HN1 NH2 29 1H ARG 28 -0.090 13.942 3.211
191 HN2 NH2 29 2H ARG 28 0.052 13.774 1.496
Start of MODEL 14
1 H1 HIS 1 1HT HIS 1 7.194 0.276 -5.992
2 H2 HIS 1 2HT HIS 1 6.921 1.673 -5.068
3 H3 HIS 1 3HT HIS 1 6.349 0.204 -4.533
4 HA HIS 1 HA HIS 1 8.538 -0.617 -4.172
5 HB2 HIS 1 2HB HIS 1 9.355 2.123 -5.179
6 HB3 HIS 1 1HB HIS 1 10.428 1.064 -4.283
7 HD1 HIS 1 1HD HIS 1 8.839 1.476 -7.698
8 HD2 HIS 1 2HD HIS 1 11.519 -1.027 -5.725
9 HE1 HIS 1 1HE HIS 1 9.968 0.126 -9.479
10 H GLY 2 H GLY 2 9.787 -0.001 -2.207
11 HA2 GLY 2 2HA GLY 2 9.941 1.677 -0.426
12 HA3 GLY 2 1HA GLY 2 8.197 1.856 -0.577
13 H GLU 3 H GLU 3 8.546 -1.261 -1.109
14 HA GLU 3 HA GLU 3 8.311 -3.156 -0.038
15 HB2 GLU 3 2HB GLU 3 9.577 -1.747 2.314
16 HB3 GLU 3 1HB GLU 3 9.079 -3.432 2.367
17 HG2 GLU 3 2HG GLU 3 11.108 -2.245 0.488
18 HG3 GLU 3 1HG GLU 3 11.454 -3.226 1.914
19 H GLY 4 H GLY 4 6.224 -3.091 -0.381
20 HA2 GLY 4 2HA GLY 4 4.629 -2.981 2.015
21 HA3 GLY 4 1HA GLY 4 4.136 -1.968 0.653
22 H THR 5 H THR 5 3.281 -4.615 2.005
23 HA THR 5 HA THR 5 3.420 -6.688 0.126
24 HB THR 5 HB THR 5 1.233 -6.155 2.142
25 HG1 THR 5 1HG THR 5 3.826 -7.275 2.391
26 HG21 THR 5 3HG2 THR 5 0.718 -7.964 0.573
27 HG22 THR 5 1HG2 THR 5 1.030 -8.616 2.181
28 HG23 THR 5 2HG2 THR 5 2.266 -8.734 0.925
29 H PHE 6 H PHE 6 1.049 -4.128 0.681
30 HA PHE 6 HA PHE 6 -0.209 -4.880 -1.856
31 HB2 PHE 6 2HB PHE 6 -1.474 -5.185 0.405
32 HB3 PHE 6 1HB PHE 6 -1.650 -3.435 0.336
33 HD1 PHE 6 1HD PHE 6 -2.322 -6.561 -1.442
34 HD2 PHE 6 2HD PHE 6 -3.310 -2.447 -1.066
35 HE1 PHE 6 1HE PHE 6 -4.224 -6.921 -2.888
36 HE2 PHE 6 2HE PHE 6 -5.268 -2.795 -2.539
37 HZ PHE 6 HZ PHE 6 -5.730 -5.027 -3.456
38 H THR 7 H THR 7 -0.465 -3.238 -3.285
39 HA THR 7 HA THR 7 1.073 -0.946 -3.095
40 HB THR 7 HB THR 7 -1.303 -1.573 -4.837
41 HG1 THR 7 1HG THR 7 0.870 -1.708 -6.232
42 HG21 THR 7 3HG2 THR 7 0.816 0.556 -5.136
43 HG22 THR 7 1HG2 THR 7 -0.898 0.796 -4.804
44 HG23 THR 7 2HG2 THR 7 -0.390 0.144 -6.370
45 H SER 8 H SER 8 -2.427 -1.362 -2.714
46 HA SER 8 HA SER 8 -2.819 1.422 -2.094
47 HB2 SER 8 2HB SER 8 -4.772 -0.864 -1.991
48 HB3 SER 8 1HB SER 8 -5.129 0.854 -2.167
49 HG SER 8 HG SER 8 -4.701 0.764 -4.193
50 H ASP 9 H ASP 9 -1.142 -0.010 -0.166
51 HA ASP 9 HA ASP 9 -2.719 -0.694 2.161
52 HB2 ASP 9 2HB ASP 9 -0.258 -1.445 1.732
53 HB3 ASP 9 1HB ASP 9 0.098 0.215 2.256
54 H CYS 10 H CYS 10 -3.734 0.734 3.276
55 HA CYS 10 HA CYS 10 -3.692 3.452 2.790
56 HB2 CYS 10 2HB CYS 10 -5.524 2.030 3.815
57 HB3 CYS 10 1HB CYS 10 -4.664 2.207 5.345
58 H SER 11 H SER 11 -1.790 1.602 5.111
59 HA SER 11 HA SER 11 -1.152 3.852 6.687
60 HB2 SER 11 2HB SER 11 0.286 1.216 6.493
61 HB3 SER 11 1HB SER 11 0.423 2.387 7.805
62 HG SER 11 HG SER 11 -2.119 1.936 7.662
63 H LYS 12 H LYS 12 0.416 2.119 4.065
64 HA LYS 12 HA LYS 12 2.902 3.530 4.281
65 HB2 LYS 12 2HB LYS 12 1.762 1.802 2.087
66 HB3 LYS 12 1HB LYS 12 3.324 2.583 1.981
67 HG2 LYS 12 2HG LYS 12 3.536 0.237 2.557
68 HG3 LYS 12 1HG LYS 12 4.130 1.269 3.852
69 HD2 LYS 12 2HD LYS 12 2.278 0.805 5.208
70 HD3 LYS 12 1HD LYS 12 1.341 0.164 3.862
71 HE2 LYS 12 2HE LYS 12 2.840 -1.627 3.639
72 HE3 LYS 12 1HE LYS 12 3.827 -1.049 4.998
73 HZ1 LYS 12 3HZ LYS 12 2.267 -2.844 5.712
74 HZ2 LYS 12 1HZ LYS 12 0.972 -1.958 5.123
75 HZ3 LYS 12 2HZ LYS 12 1.833 -1.393 6.446
76 H GLN 13 H GLN 13 0.086 3.704 2.229
77 HA GLN 13 HA GLN 13 1.063 5.651 0.502
78 HB2 GLN 13 2HB GLN 13 -1.823 5.236 1.239
79 HB3 GLN 13 1HB GLN 13 -1.217 5.952 -0.239
80 HG2 GLN 13 2HG GLN 13 -1.246 3.079 0.601
81 HG3 GLN 13 1HG GLN 13 -1.840 3.810 -0.883
82 HE21 GLN 13 1HE2 GLN 13 -0.332 4.205 -2.584
83 HE22 GLN 13 2HE2 GLN 13 1.229 3.484 -2.532
84 H CYS 14 H CYS 14 -0.649 6.007 3.602
85 HA CYS 14 HA CYS 14 -0.629 8.829 3.261
86 HB2 CYS 14 2HB CYS 14 -1.352 7.140 5.624
87 HB3 CYS 14 1HB CYS 14 -1.296 8.901 5.707
88 H GLU 15 H GLU 15 1.649 6.582 4.543
89 HA GLU 15 HA GLU 15 3.165 8.542 5.893
90 HB2 GLU 15 2HB GLU 15 3.948 5.851 4.782
91 HB3 GLU 15 1HB GLU 15 5.077 6.894 5.637
92 HG2 GLU 15 2HG GLU 15 2.515 5.781 6.765
93 HG3 GLU 15 1HG GLU 15 4.135 5.177 7.100
94 H GLU 16 H GLU 16 2.872 7.671 2.579
95 HA GLU 16 HA GLU 16 5.114 9.312 1.752
96 HB2 GLU 16 2HB GLU 16 2.825 8.183 0.133
97 HB3 GLU 16 1HB GLU 16 4.260 8.944 -0.530
98 HG2 GLU 16 2HG GLU 16 5.613 7.138 0.503
99 HG3 GLU 16 1HG GLU 16 4.109 6.361 0.990
100 H GLY 17 H GLY 17 1.791 9.637 2.420
101 HA2 GLY 17 2HA GLY 17 0.522 11.545 2.734
102 HA3 GLY 17 1HA GLY 17 1.898 12.505 2.196
103 H ILE 18 H ILE 18 0.531 9.843 0.403
104 HA ILE 18 HA ILE 18 0.059 11.726 -1.688
105 HB ILE 18 HB ILE 18 -0.276 9.725 -3.147
106 HG12 ILE 18 2HG1 ILE 18 0.867 8.320 -0.724
107 HG13 ILE 18 1HG1 ILE 18 -0.710 8.027 -1.442
108 HG21 ILE 18 1HG2 ILE 18 1.750 11.058 -3.147
109 HG22 ILE 18 2HG2 ILE 18 2.173 9.351 -3.302
110 HG23 ILE 18 3HG2 ILE 18 2.364 10.170 -1.753
111 HD11 ILE 18 3HD1 ILE 18 0.840 6.292 -2.091
112 HD12 ILE 18 1HD1 ILE 18 1.956 7.528 -2.697
113 HD13 ILE 18 2HD1 ILE 18 0.405 7.293 -3.494
114 H GLY 19 H GLY 19 -1.950 8.977 -0.592
115 HA2 GLY 19 2HA GLY 19 -4.231 8.949 -0.160
116 HA3 GLY 19 1HA GLY 19 -4.221 10.693 -0.298
117 H HIS 20 H HIS 20 -2.927 9.998 -3.072
118 HA HIS 20 HA HIS 20 -5.307 10.359 -4.579
119 HB2 HIS 20 2HB HIS 20 -3.128 11.296 -5.279
120 HB3 HIS 20 1HB HIS 20 -2.502 9.667 -5.470
121 HD1 HIS 20 1HD HIS 20 -4.912 12.105 -7.119
122 HD2 HIS 20 2HD HIS 20 -3.051 8.463 -7.873
123 HE1 HIS 20 1HE HIS 20 -5.336 11.593 -9.538
124 H LYS 21 H LYS 21 -6.698 8.840 -4.906
125 HA LYS 21 HA LYS 21 -7.682 6.922 -5.554
126 HB2 LYS 21 2HB LYS 21 -4.930 5.709 -5.935
127 HB3 LYS 21 1HB LYS 21 -6.449 4.973 -6.417
128 HG2 LYS 21 2HG LYS 21 -5.220 7.478 -7.554
129 HG3 LYS 21 1HG LYS 21 -5.324 5.907 -8.345
130 HD2 LYS 21 2HD LYS 21 -7.787 6.085 -8.323
131 HD3 LYS 21 1HD LYS 21 -7.642 7.648 -7.527
132 HE2 LYS 21 2HE LYS 21 -6.439 8.532 -9.437
133 HE3 LYS 21 1HE LYS 21 -6.543 6.968 -10.241
134 HZ1 LYS 21 3HZ LYS 21 -8.952 7.191 -10.278
135 HZ2 LYS 21 1HZ LYS 21 -8.207 8.510 -11.030
136 HZ3 LYS 21 2HZ LYS 21 -8.839 8.685 -9.484
137 H TYR 22 H TYR 22 -6.547 7.660 -2.862
138 HA TYR 22 HA TYR 22 -7.284 5.075 -1.698
139 HB2 TYR 22 2HB TYR 22 -5.350 6.978 -0.342
140 HB3 TYR 22 1HB TYR 22 -5.665 5.291 0.057
141 HD1 TYR 22 1HD TYR 22 -5.358 3.788 -2.259
142 HD2 TYR 22 2HD TYR 22 -3.230 7.282 -1.194
143 HE1 TYR 22 1HE TYR 22 -3.553 3.135 -3.780
144 HE2 TYR 22 2HE TYR 22 -1.444 6.693 -2.718
145 HH TYR 22 HH TYR 22 -1.714 4.180 -5.014
146 HA PRO 23 HA PRO 23 -10.272 8.411 -0.481
147 HB2 PRO 23 2HB PRO 23 -12.502 6.882 -0.774
148 HB3 PRO 23 1HB PRO 23 -11.688 7.665 -2.142
149 HG2 PRO 23 2HG PRO 23 -11.476 4.846 -1.215
150 HG3 PRO 23 1HG PRO 23 -11.719 5.479 -2.852
151 HD2 PRO 23 2HD PRO 23 -9.294 4.708 -1.974
152 HD3 PRO 23 1HD PRO 23 -9.498 6.059 -3.098
153 H PHE 24 H PHE 24 -9.457 5.391 0.718
154 HA PHE 24 HA PHE 24 -11.064 5.636 3.123
155 HB2 PHE 24 2HB PHE 24 -9.975 3.295 3.576
156 HB3 PHE 24 1HB PHE 24 -11.253 3.428 2.375
157 HD1 PHE 24 1HD PHE 24 -10.718 3.409 0.020
158 HD2 PHE 24 2HD PHE 24 -7.731 2.680 2.935
159 HE1 PHE 24 1HE PHE 24 -9.319 2.533 -1.714
160 HE2 PHE 24 2HE PHE 24 -6.259 1.748 1.192
161 HZ PHE 24 HZ PHE 24 -7.034 1.659 -1.152
162 H CYS 25 H CYS 25 -8.499 7.098 2.220
163 HA CYS 25 HA CYS 25 -7.061 6.755 4.745
164 HB2 CYS 25 2HB CYS 25 -5.870 7.199 2.021
165 HB3 CYS 25 1HB CYS 25 -4.991 7.091 3.540
166 H HIS 26 H HIS 26 -6.546 8.667 5.693
167 HA HIS 26 HA HIS 26 -6.984 11.054 4.068
168 HB2 HIS 26 2HB HIS 26 -6.902 10.789 7.104
169 HB3 HIS 26 1HB HIS 26 -7.109 12.300 6.230
170 HD1 HIS 26 1HD HIS 26 -9.288 11.529 8.228
171 HD2 HIS 26 2HD HIS 26 -9.357 10.432 4.220
172 HE1 HIS 26 1HE HIS 26 -11.690 11.018 7.696
173 H CYS 27 H CYS 27 -5.123 11.295 3.106
174 HA CYS 27 HA CYS 27 -2.639 11.023 4.644
175 HB2 CYS 27 2HB CYS 27 -3.071 11.062 1.656
176 HB3 CYS 27 1HB CYS 27 -1.560 10.772 2.492
177 H ARG 28 H ARG 28 -4.437 13.171 4.682
178 HA ARG 28 HA ARG 28 -3.578 15.419 3.189
179 HB2 ARG 28 2HB ARG 28 -5.138 15.147 5.749
180 HB3 ARG 28 1HB ARG 28 -4.835 16.693 4.980
181 HG2 ARG 28 2HG ARG 28 -6.059 15.966 3.005
182 HG3 ARG 28 1HG ARG 28 -6.318 14.382 3.741
183 HD2 ARG 28 2HD ARG 28 -8.276 15.877 3.934
184 HD3 ARG 28 1HD ARG 28 -7.643 15.373 5.498
185 HE ARG 28 HE ARG 28 -6.611 17.880 4.537
186 HH11 ARG 28 1HH1 ARG 28 -9.308 16.393 6.283
187 HH12 ARG 28 2HH1 ARG 28 -9.594 17.737 7.292
188 HH21 ARG 28 1HH2 ARG 28 -7.063 19.768 5.934
189 HH22 ARG 28 2HH2 ARG 28 -8.321 19.641 7.096
190 HN1 NH2 29 1H ARG 28 -1.522 16.014 3.354
191 HN2 NH2 29 2H ARG 28 -0.644 16.259 4.825
Start of MODEL 15
1 H1 HIS 1 1HT HIS 1 4.780 0.551 9.395
2 H2 HIS 1 2HT HIS 1 4.199 0.709 7.833
3 H3 HIS 1 3HT HIS 1 5.663 1.440 8.265
4 HA HIS 1 HA HIS 1 6.006 -0.579 6.973
5 HB2 HIS 1 2HB HIS 1 7.657 0.162 8.775
6 HB3 HIS 1 1HB HIS 1 6.808 -0.869 9.899
7 HD1 HIS 1 1HD HIS 1 9.181 -1.066 6.901
8 HD2 HIS 1 2HD HIS 1 7.521 -3.516 9.848
9 HE1 HIS 1 1HE HIS 1 10.484 -3.176 6.852
10 H GLY 2 H GLY 2 4.920 -2.387 6.397
11 HA2 GLY 2 2HA GLY 2 3.751 -4.072 8.429
12 HA3 GLY 2 1HA GLY 2 2.596 -3.284 7.365
13 H GLU 3 H GLU 3 2.596 -3.804 5.140
14 HA GLU 3 HA GLU 3 3.848 -6.392 4.599
15 HB2 GLU 3 2HB GLU 3 2.197 -6.731 2.864
16 HB3 GLU 3 1HB GLU 3 1.361 -6.274 4.339
17 HG2 GLU 3 2HG GLU 3 0.943 -4.069 3.507
18 HG3 GLU 3 1HG GLU 3 2.012 -4.327 2.133
19 H GLY 4 H GLY 4 4.792 -6.717 2.509
20 HA2 GLY 4 2HA GLY 4 5.488 -4.255 1.068
21 HA3 GLY 4 1HA GLY 4 6.624 -5.590 1.291
22 H THR 5 H THR 5 3.307 -6.216 0.896
23 HA THR 5 HA THR 5 3.877 -7.700 -1.493
24 HB THR 5 HB THR 5 1.341 -7.504 0.140
25 HG1 THR 5 1HG THR 5 3.667 -8.752 0.580
26 HG21 THR 5 3HG2 THR 5 2.167 -9.446 -2.037
27 HG22 THR 5 1HG2 THR 5 0.893 -8.237 -2.148
28 HG23 THR 5 2HG2 THR 5 0.719 -9.602 -1.043
29 H PHE 6 H PHE 6 1.170 -5.498 -0.565
30 HA PHE 6 HA PHE 6 1.109 -4.826 -3.401
31 HB2 PHE 6 2HB PHE 6 -0.835 -6.048 -2.296
32 HB3 PHE 6 1HB PHE 6 -1.181 -4.520 -1.493
33 HD1 PHE 6 1HD PHE 6 -0.780 -6.107 -4.789
34 HD2 PHE 6 2HD PHE 6 -2.356 -2.835 -2.606
35 HE1 PHE 6 1HE PHE 6 -1.993 -5.392 -6.777
36 HE2 PHE 6 2HE PHE 6 -3.589 -2.099 -4.613
37 HZ PHE 6 HZ PHE 6 -3.406 -3.382 -6.698
38 H THR 7 H THR 7 0.720 -2.754 -4.031
39 HA THR 7 HA THR 7 2.101 -0.733 -2.733
40 HB THR 7 HB THR 7 0.067 -0.573 -4.946
41 HG1 THR 7 1HG THR 7 2.866 -0.944 -5.170
42 HG21 THR 7 3HG2 THR 7 1.439 1.322 -5.699
43 HG22 THR 7 1HG2 THR 7 2.470 1.140 -4.275
44 HG23 THR 7 2HG2 THR 7 0.775 1.592 -4.084
45 H SER 8 H SER 8 -1.398 -1.283 -3.116
46 HA SER 8 HA SER 8 -2.106 1.115 -1.763
47 HB2 SER 8 2HB SER 8 -3.561 0.128 -3.519
48 HB3 SER 8 1HB SER 8 -3.858 -1.257 -2.477
49 HG SER 8 HG SER 8 -5.163 1.040 -2.548
50 H ASP 9 H ASP 9 -1.398 1.203 0.207
51 HA ASP 9 HA ASP 9 -2.742 -0.406 2.232
52 HB2 ASP 9 2HB ASP 9 -0.379 -1.307 2.106
53 HB3 ASP 9 1HB ASP 9 0.163 0.374 2.286
54 H CYS 10 H CYS 10 -3.695 1.042 3.541
55 HA CYS 10 HA CYS 10 -3.411 3.745 2.872
56 HB2 CYS 10 2HB CYS 10 -5.471 2.541 3.913
57 HB3 CYS 10 1HB CYS 10 -4.697 2.960 5.447
58 H SER 11 H SER 11 -1.841 1.802 5.302
59 HA SER 11 HA SER 11 -0.990 3.995 6.815
60 HB2 SER 11 2HB SER 11 0.287 1.274 6.587
61 HB3 SER 11 1HB SER 11 0.442 2.398 7.947
62 HG SER 11 HG SER 11 -1.809 2.160 8.263
63 H LYS 12 H LYS 12 0.254 2.245 4.051
64 HA LYS 12 HA LYS 12 2.779 3.538 3.979
65 HB2 LYS 12 2HB LYS 12 1.288 2.067 1.848
66 HB3 LYS 12 1HB LYS 12 2.914 2.707 1.671
67 HG2 LYS 12 2HG LYS 12 3.616 1.356 3.590
68 HG3 LYS 12 1HG LYS 12 2.006 0.636 3.620
69 HD2 LYS 12 2HD LYS 12 3.486 -0.819 2.474
70 HD3 LYS 12 1HD LYS 12 2.348 -0.094 1.322
71 HE2 LYS 12 2HE LYS 12 4.949 1.236 1.752
72 HE3 LYS 12 1HE LYS 12 4.970 -0.259 0.809
73 HZ1 LYS 12 3HZ LYS 12 3.701 2.383 0.128
74 HZ2 LYS 12 1HZ LYS 12 3.271 0.920 -0.662
75 HZ3 LYS 12 2HZ LYS 12 4.832 1.485 -0.677
76 H GLN 13 H GLN 13 -0.252 3.960 2.261
77 HA GLN 13 HA GLN 13 0.750 6.000 0.646
78 HB2 GLN 13 2HB GLN 13 -2.096 5.273 1.276
79 HB3 GLN 13 1HB GLN 13 -1.602 6.389 0.001
80 HG2 GLN 13 2HG GLN 13 -0.947 3.451 0.202
81 HG3 GLN 13 1HG GLN 13 -1.988 4.234 -0.987
82 HE21 GLN 13 1HE2 GLN 13 0.439 2.603 -1.421
83 HE22 GLN 13 2HE2 GLN 13 1.521 3.654 -2.272
84 H CYS 14 H CYS 14 -0.752 6.147 3.814
85 HA CYS 14 HA CYS 14 -0.708 9.011 3.742
86 HB2 CYS 14 2HB CYS 14 -1.099 7.106 6.071
87 HB3 CYS 14 1HB CYS 14 -1.180 8.861 6.215
88 H GLU 15 H GLU 15 1.577 6.538 4.403
89 HA GLU 15 HA GLU 15 3.461 8.119 5.845
90 HB2 GLU 15 2HB GLU 15 3.492 5.735 6.081
91 HB3 GLU 15 1HB GLU 15 3.531 5.509 4.348
92 HG2 GLU 15 2HG GLU 15 5.805 6.401 4.307
93 HG3 GLU 15 1HG GLU 15 5.745 6.563 6.066
94 H GLU 16 H GLU 16 2.836 7.297 2.520
95 HA GLU 16 HA GLU 16 5.141 8.729 1.529
96 HB2 GLU 16 2HB GLU 16 2.942 7.188 0.136
97 HB3 GLU 16 1HB GLU 16 4.339 7.893 -0.683
98 HG2 GLU 16 2HG GLU 16 5.852 6.511 0.527
99 HG3 GLU 16 1HG GLU 16 4.573 5.948 1.588
100 H GLY 17 H GLY 17 2.018 9.423 2.379
101 HA2 GLY 17 2HA GLY 17 0.906 11.410 2.459
102 HA3 GLY 17 1HA GLY 17 2.346 12.180 1.808
103 H ILE 18 H ILE 18 0.417 9.653 0.333
104 HA ILE 18 HA ILE 18 0.003 11.496 -1.901
105 HB ILE 18 HB ILE 18 -0.483 8.491 -1.888
106 HG12 ILE 18 2HG1 ILE 18 1.874 10.044 -2.962
107 HG13 ILE 18 1HG1 ILE 18 1.903 9.034 -1.519
108 HG21 ILE 18 1HG2 ILE 18 -1.753 9.677 -3.621
109 HG22 ILE 18 2HG2 ILE 18 -0.451 8.746 -4.356
110 HG23 ILE 18 3HG2 ILE 18 -0.284 10.488 -4.160
111 HD11 ILE 18 3HD1 ILE 18 1.412 7.082 -2.911
112 HD12 ILE 18 1HD1 ILE 18 2.902 7.893 -3.411
113 HD13 ILE 18 2HD1 ILE 18 1.411 8.115 -4.338
114 H GLY 19 H GLY 19 -1.985 8.778 -0.828
115 HA2 GLY 19 2HA GLY 19 -4.162 8.731 -0.004
116 HA3 GLY 19 1HA GLY 19 -4.143 10.481 0.054
117 H HIS 20 H HIS 20 -3.200 10.065 -2.903
118 HA HIS 20 HA HIS 20 -5.765 10.569 -4.088
119 HB2 HIS 20 2HB HIS 20 -3.727 11.750 -4.844
120 HB3 HIS 20 1HB HIS 20 -3.027 10.203 -5.295
121 HD1 HIS 20 1HD HIS 20 -2.991 10.060 -7.788
122 HD2 HIS 20 2HD HIS 20 -6.476 11.820 -6.374
123 HE1 HIS 20 1HE HIS 20 -4.393 10.551 -9.819
124 H LYS 21 H LYS 21 -7.076 9.072 -4.887
125 HA LYS 21 HA LYS 21 -7.913 7.212 -5.865
126 HB2 LYS 21 2HB LYS 21 -5.039 6.341 -6.259
127 HB3 LYS 21 1HB LYS 21 -6.426 5.481 -6.889
128 HG2 LYS 21 2HG LYS 21 -5.673 8.297 -7.624
129 HG3 LYS 21 1HG LYS 21 -5.261 6.886 -8.584
130 HD2 LYS 21 2HD LYS 21 -7.711 6.400 -8.759
131 HD3 LYS 21 1HD LYS 21 -8.021 7.935 -7.947
132 HE2 LYS 21 2HE LYS 21 -8.214 8.237 -10.338
133 HE3 LYS 21 1HE LYS 21 -6.796 9.101 -9.748
134 HZ1 LYS 21 3HZ LYS 21 -6.789 6.458 -11.125
135 HZ2 LYS 21 1HZ LYS 21 -5.423 7.217 -10.505
136 HZ3 LYS 21 2HZ LYS 21 -6.269 7.918 -11.771
137 H TYR 22 H TYR 22 -6.866 7.582 -3.060
138 HA TYR 22 HA TYR 22 -7.340 4.829 -2.211
139 HB2 TYR 22 2HB TYR 22 -5.525 6.721 -0.684
140 HB3 TYR 22 1HB TYR 22 -5.679 4.978 -0.477
141 HD1 TYR 22 2HD TYR 22 -5.323 3.908 -3.113
142 HD2 TYR 22 1HD TYR 22 -3.373 7.217 -1.345
143 HE1 TYR 22 2HE TYR 22 -3.507 3.639 -4.682
144 HE2 TYR 22 1HE TYR 22 -1.531 6.994 -2.949
145 HH TYR 22 HH TYR 22 -1.746 5.268 -5.688
146 HA PRO 23 HA PRO 23 -10.604 7.783 -0.877
147 HB2 PRO 23 2HB PRO 23 -12.494 5.844 -0.425
148 HB3 PRO 23 1HB PRO 23 -12.087 6.515 -2.018
149 HG2 PRO 23 2HG PRO 23 -11.090 3.989 -0.777
150 HG3 PRO 23 1HG PRO 23 -11.768 4.247 -2.396
151 HD2 PRO 23 2HD PRO 23 -9.145 4.132 -2.031
152 HD3 PRO 23 1HD PRO 23 -9.828 5.307 -3.167
153 H PHE 24 H PHE 24 -9.304 5.118 0.738
154 HA PHE 24 HA PHE 24 -10.497 5.705 3.282
155 HB2 PHE 24 2HB PHE 24 -8.727 3.792 3.877
156 HB3 PHE 24 1HB PHE 24 -10.283 3.433 3.134
157 HD1 PHE 24 1HD PHE 24 -6.671 3.778 2.508
158 HD2 PHE 24 2HD PHE 24 -10.432 2.640 0.912
159 HE1 PHE 24 1HE PHE 24 -5.541 2.750 0.576
160 HE2 PHE 24 2HE PHE 24 -9.337 1.635 -1.015
161 HZ PHE 24 HZ PHE 24 -6.869 1.670 -1.190
162 H CYS 25 H CYS 25 -7.778 6.827 1.567
163 HA CYS 25 HA CYS 25 -6.361 7.301 4.066
164 HB2 CYS 25 2HB CYS 25 -5.307 7.433 1.262
165 HB3 CYS 25 1HB CYS 25 -4.378 7.775 2.718
166 H HIS 26 H HIS 26 -7.688 8.913 4.682
167 HA HIS 26 HA HIS 26 -7.008 11.399 3.382
168 HB2 HIS 26 2HB HIS 26 -8.897 12.394 4.829
169 HB3 HIS 26 1HB HIS 26 -9.367 11.329 3.510
170 HD1 HIS 26 1HD HIS 26 -9.784 11.777 7.161
171 HD2 HIS 26 2HD HIS 26 -10.147 8.744 4.357
172 HE1 HIS 26 1HE HIS 26 -11.208 10.026 8.246
173 H CYS 27 H CYS 27 -5.190 12.030 4.193
174 HA CYS 27 HA CYS 27 -4.795 12.108 7.081
175 HB2 CYS 27 2HB CYS 27 -2.810 10.812 5.207
176 HB3 CYS 27 1HB CYS 27 -2.595 11.060 6.932
177 H ARG 28 H ARG 28 -3.110 12.533 4.260
178 HA ARG 28 HA ARG 28 -2.575 15.347 4.824
179 HB2 ARG 28 2HB ARG 28 -0.101 14.896 4.344
180 HB3 ARG 28 1HB ARG 28 -0.718 14.491 5.948
181 HG2 ARG 28 2HG ARG 28 -1.028 12.141 5.067
182 HG3 ARG 28 1HG ARG 28 -0.105 12.652 3.658
183 HD2 ARG 28 2HD ARG 28 0.904 12.939 6.455
184 HD3 ARG 28 1HD ARG 28 1.117 11.459 5.521
185 HE ARG 28 HE ARG 28 2.078 13.973 4.404
186 HH11 ARG 28 1HH1 ARG 28 2.820 10.890 5.980
187 HH12 ARG 28 2HH1 ARG 28 4.465 10.893 5.576
188 HH21 ARG 28 1HH2 ARG 28 4.398 13.995 3.845
189 HH22 ARG 28 2HH2 ARG 28 5.384 12.697 4.329
190 HN1 NH2 29 1H ARG 28 -3.675 15.939 3.029
191 HN2 NH2 29 2H ARG 28 -3.177 15.590 1.411
Start of MODEL 16
1 H1 HIS 1 1HT HIS 1 13.110 -4.069 7.847
2 H2 HIS 1 2HT HIS 1 12.677 -5.671 8.013
3 H3 HIS 1 3HT HIS 1 11.633 -4.568 7.265
4 HA HIS 1 HA HIS 1 14.302 -5.347 6.249
5 HB2 HIS 1 2HB HIS 1 11.547 -5.971 5.123
6 HB3 HIS 1 1HB HIS 1 13.073 -6.355 4.346
7 HD1 HIS 1 1HD HIS 1 14.170 -8.593 5.014
8 HD2 HIS 1 2HD HIS 1 10.961 -7.510 7.433
9 HE1 HIS 1 1HE HIS 1 13.689 -10.575 6.465
10 H GLY 2 H GLY 2 11.199 -3.842 5.233
11 HA2 GLY 2 2HA GLY 2 12.270 -1.348 4.738
12 HA3 GLY 2 1HA GLY 2 12.282 -2.275 3.235
13 H GLU 3 H GLU 3 10.692 -0.059 3.540
14 HA GLU 3 HA GLU 3 8.072 -0.964 4.274
15 HB2 GLU 3 2HB GLU 3 8.884 1.640 2.973
16 HB3 GLU 3 1HB GLU 3 7.283 1.264 3.575
17 HG2 GLU 3 2HG GLU 3 8.198 2.595 5.246
18 HG3 GLU 3 1HG GLU 3 8.431 0.963 5.858
19 H GLY 4 H GLY 4 6.448 -1.468 2.964
20 HA2 GLY 4 2HA GLY 4 5.584 -1.274 0.609
21 HA3 GLY 4 1HA GLY 4 7.174 -1.871 0.137
22 H THR 5 H THR 5 5.281 -2.910 2.904
23 HA THR 5 HA THR 5 5.607 -5.630 2.546
24 HB THR 5 HB THR 5 3.335 -4.165 3.901
25 HG1 THR 5 1HG THR 5 4.621 -3.814 5.496
26 HG21 THR 5 3HG2 THR 5 3.147 -6.180 5.299
27 HG22 THR 5 1HG2 THR 5 4.449 -6.943 4.379
28 HG23 THR 5 2HG2 THR 5 2.917 -6.570 3.595
29 H PHE 6 H PHE 6 2.873 -3.489 1.701
30 HA PHE 6 HA PHE 6 2.078 -5.471 -0.268
31 HB2 PHE 6 2HB PHE 6 0.731 -5.326 1.966
32 HB3 PHE 6 1HB PHE 6 0.112 -3.824 1.289
33 HD1 PHE 6 1HD PHE 6 0.585 -7.384 0.537
34 HD2 PHE 6 2HD PHE 6 -1.719 -3.894 -0.122
35 HE1 PHE 6 1HE PHE 6 -0.997 -8.704 -0.706
36 HE2 PHE 6 2HE PHE 6 -3.356 -5.221 -1.413
37 HZ PHE 6 HZ PHE 6 -3.000 -7.626 -1.711
38 H THR 7 H THR 7 1.494 -4.519 -2.206
39 HA THR 7 HA THR 7 2.430 -1.916 -2.698
40 HB THR 7 HB THR 7 2.417 -3.665 -4.447
41 HG1 THR 7 1HG THR 7 0.756 -1.558 -5.341
42 HG21 THR 7 3HG2 THR 7 0.261 -4.717 -3.955
43 HG22 THR 7 1HG2 THR 7 0.336 -4.225 -5.648
44 HG23 THR 7 2HG2 THR 7 -0.581 -3.264 -4.486
45 H SER 8 H SER 8 -0.658 -3.086 -1.730
46 HA SER 8 HA SER 8 -1.892 -0.511 -2.265
47 HB2 SER 8 2HB SER 8 -3.163 -3.119 -1.429
48 HB3 SER 8 1HB SER 8 -3.961 -1.684 -2.069
49 HG SER 8 HG SER 8 -2.612 -2.010 -3.987
50 H ASP 9 H ASP 9 0.069 -0.983 -0.075
51 HA ASP 9 HA ASP 9 -1.361 -1.022 2.400
52 HB2 ASP 9 2HB ASP 9 1.413 -0.284 1.633
53 HB3 ASP 9 1HB ASP 9 0.799 0.309 3.162
54 H CYS 10 H CYS 10 -2.964 0.393 2.462
55 HA CYS 10 HA CYS 10 -2.881 2.950 1.305
56 HB2 CYS 10 2HB CYS 10 -4.906 1.459 1.809
57 HB3 CYS 10 1HB CYS 10 -4.797 2.069 3.455
58 H SER 11 H SER 11 -2.247 1.748 4.544
59 HA SER 11 HA SER 11 -2.050 4.240 5.849
60 HB2 SER 11 2HB SER 11 -0.613 1.661 6.494
61 HB3 SER 11 1HB SER 11 -0.960 2.986 7.610
62 HG SER 11 HG SER 11 -3.266 2.539 6.896
63 H LYS 12 H LYS 12 0.202 2.346 3.935
64 HA LYS 12 HA LYS 12 2.580 3.788 4.555
65 HB2 LYS 12 2HB LYS 12 2.514 1.512 3.570
66 HB3 LYS 12 1HB LYS 12 1.834 2.222 2.112
67 HG2 LYS 12 2HG LYS 12 3.900 3.460 1.739
68 HG3 LYS 12 1HG LYS 12 4.581 2.782 3.222
69 HD2 LYS 12 2HD LYS 12 5.413 1.455 1.405
70 HD3 LYS 12 1HD LYS 12 4.175 0.532 2.275
71 HE2 LYS 12 2HE LYS 12 3.840 0.227 -0.091
72 HE3 LYS 12 1HE LYS 12 2.513 1.165 0.563
73 HZ1 LYS 12 3HZ LYS 12 4.729 2.113 -1.158
74 HZ2 LYS 12 1HZ LYS 12 3.799 3.210 -0.265
75 HZ3 LYS 12 2HZ LYS 12 3.063 2.241 -1.356
76 H GLN 13 H GLN 13 -0.028 4.068 2.237
77 HA GLN 13 HA GLN 13 1.168 6.005 0.609
78 HB2 GLN 13 2HB GLN 13 -1.781 5.613 1.086
79 HB3 GLN 13 1HB GLN 13 -1.017 6.301 -0.345
80 HG2 GLN 13 2HG GLN 13 -1.046 3.436 0.575
81 HG3 GLN 13 1HG GLN 13 -1.759 4.113 -0.886
82 HE21 GLN 13 1HE2 GLN 13 -0.399 4.422 -2.703
83 HE22 GLN 13 2HE2 GLN 13 1.213 3.781 -2.673
84 H CYS 14 H CYS 14 -0.638 6.108 3.589
85 HA CYS 14 HA CYS 14 -0.899 8.940 3.691
86 HB2 CYS 14 2HB CYS 14 -0.983 6.859 5.876
87 HB3 CYS 14 1HB CYS 14 -1.291 8.571 6.147
88 H GLU 15 H GLU 15 1.506 6.652 4.867
89 HA GLU 15 HA GLU 15 3.053 8.569 6.228
90 HB2 GLU 15 2HB GLU 15 3.832 5.893 5.077
91 HB3 GLU 15 1HB GLU 15 4.838 6.836 6.166
92 HG2 GLU 15 2HG GLU 15 3.017 6.708 7.861
93 HG3 GLU 15 1HG GLU 15 2.145 5.635 6.770
94 H GLU 16 H GLU 16 3.051 7.422 2.927
95 HA GLU 16 HA GLU 16 5.298 9.017 2.154
96 HB2 GLU 16 2HB GLU 16 3.185 7.621 0.521
97 HB3 GLU 16 1HB GLU 16 4.555 8.465 -0.183
98 HG2 GLU 16 2HG GLU 16 6.064 6.919 1.037
99 HG3 GLU 16 1HG GLU 16 4.643 6.056 1.623
100 H GLY 17 H GLY 17 1.983 9.609 2.625
101 HA2 GLY 17 2HA GLY 17 0.929 11.683 2.722
102 HA3 GLY 17 1HA GLY 17 2.371 12.395 2.008
103 H ILE 18 H ILE 18 0.531 9.743 0.720
104 HA ILE 18 HA ILE 18 0.221 11.212 -1.769
105 HB ILE 18 HB ILE 18 -0.650 8.365 -1.177
106 HG12 ILE 18 2HG1 ILE 18 1.982 9.342 -2.313
107 HG13 ILE 18 1HG1 ILE 18 1.749 8.686 -0.704
108 HG21 ILE 18 1HG2 ILE 18 -0.487 8.099 -3.626
109 HG22 ILE 18 2HG2 ILE 18 -0.022 9.790 -3.779
110 HG23 ILE 18 3HG2 ILE 18 -1.632 9.374 -3.202
111 HD11 ILE 18 3HD1 ILE 18 1.119 6.537 -1.656
112 HD12 ILE 18 1HD1 ILE 18 2.715 7.046 -2.204
113 HD13 ILE 18 2HD1 ILE 18 1.323 7.193 -3.279
114 H GLY 19 H GLY 19 -2.082 8.983 -0.248
115 HA2 GLY 19 2HA GLY 19 -4.291 9.264 0.368
116 HA3 GLY 19 1HA GLY 19 -3.988 10.993 0.407
117 H HIS 20 H HIS 20 -3.247 9.464 -2.539
118 HA HIS 20 HA HIS 20 -5.599 10.694 -3.772
119 HB2 HIS 20 2HB HIS 20 -3.450 11.610 -4.529
120 HB3 HIS 20 1HB HIS 20 -2.880 9.989 -4.897
121 HD1 HIS 20 1HD HIS 20 -2.929 9.530 -7.339
122 HD2 HIS 20 2HD HIS 20 -5.961 12.125 -6.203
123 HE1 HIS 20 1HE HIS 20 -4.136 10.147 -9.459
124 H LYS 21 H LYS 21 -7.097 9.350 -4.408
125 HA LYS 21 HA LYS 21 -8.206 7.604 -5.277
126 HB2 LYS 21 2HB LYS 21 -5.494 6.447 -5.977
127 HB3 LYS 21 1HB LYS 21 -7.030 5.731 -6.443
128 HG2 LYS 21 2HG LYS 21 -6.009 8.437 -7.266
129 HG3 LYS 21 1HG LYS 21 -6.049 7.005 -8.291
130 HD2 LYS 21 2HD LYS 21 -8.515 6.952 -8.048
131 HD3 LYS 21 1HD LYS 21 -8.434 8.432 -7.094
132 HE2 LYS 21 2HE LYS 21 -7.397 9.565 -9.035
133 HE3 LYS 21 1HE LYS 21 -7.634 8.091 -9.974
134 HZ1 LYS 21 3HZ LYS 21 -10.039 8.297 -9.576
135 HZ2 LYS 21 1HZ LYS 21 -9.439 9.649 -10.358
136 HZ3 LYS 21 2HZ LYS 21 -9.791 9.706 -8.719
137 H TYR 22 H TYR 22 -7.242 7.897 -2.615
138 HA TYR 22 HA TYR 22 -7.784 5.161 -1.714
139 HB2 TYR 22 2HB TYR 22 -5.947 7.059 -0.203
140 HB3 TYR 22 1HB TYR 22 -6.194 5.342 0.094
141 HD1 TYR 22 1HD TYR 22 -5.871 4.161 -2.535
142 HD2 TYR 22 2HD TYR 22 -3.661 7.341 -0.764
143 HE1 TYR 22 1HE TYR 22 -4.034 3.678 -3.996
144 HE2 TYR 22 2HE TYR 22 -1.805 6.862 -2.255
145 HH TYR 22 HH TYR 22 -2.027 4.880 -4.918
146 HA PRO 23 HA PRO 23 -10.921 8.332 -0.458
147 HB2 PRO 23 2HB PRO 23 -12.973 6.493 -0.183
148 HB3 PRO 23 1HB PRO 23 -12.545 7.314 -1.690
149 HG2 PRO 23 2HG PRO 23 -11.793 4.579 -0.771
150 HG3 PRO 23 1HG PRO 23 -12.319 5.120 -2.374
151 HD2 PRO 23 2HD PRO 23 -9.740 4.666 -1.823
152 HD3 PRO 23 1HD PRO 23 -10.227 5.988 -2.899
153 H PHE 24 H PHE 24 -10.307 5.235 0.992
154 HA PHE 24 HA PHE 24 -11.366 6.019 3.533
155 HB2 PHE 24 2HB PHE 24 -10.320 3.648 4.121
156 HB3 PHE 24 1HB PHE 24 -11.844 3.808 3.257
157 HD1 PHE 24 2HD PHE 24 -8.254 3.028 2.888
158 HD2 PHE 24 1HD PHE 24 -12.060 3.153 1.000
159 HE1 PHE 24 2HE PHE 24 -7.363 1.743 1.006
160 HE2 PHE 24 1HE PHE 24 -11.185 1.887 -0.890
161 HZ PHE 24 HZ PHE 24 -8.817 1.160 -0.897
162 H CYS 25 H CYS 25 -8.596 6.857 2.092
163 HA CYS 25 HA CYS 25 -7.315 7.202 4.682
164 HB2 CYS 25 2HB CYS 25 -5.818 6.435 2.176
165 HB3 CYS 25 1HB CYS 25 -5.106 6.814 3.735
166 H HIS 26 H HIS 26 -8.068 9.304 4.668
167 HA HIS 26 HA HIS 26 -7.013 10.897 2.518
168 HB2 HIS 26 2HB HIS 26 -8.405 12.795 3.424
169 HB3 HIS 26 1HB HIS 26 -9.329 11.402 2.885
170 HD1 HIS 26 1HD HIS 26 -8.896 13.640 5.739
171 HD2 HIS 26 2HD HIS 26 -10.272 9.811 5.033
172 HE1 HIS 26 1HE HIS 26 -10.289 13.073 7.734
173 H CYS 27 H CYS 27 -5.020 11.331 2.837
174 HA CYS 27 HA CYS 27 -4.203 12.258 5.460
175 HB2 CYS 27 2HB CYS 27 -2.728 10.206 3.797
176 HB3 CYS 27 1HB CYS 27 -2.193 10.852 5.345
177 H ARG 28 H ARG 28 -3.165 14.028 5.322
178 HA ARG 28 HA ARG 28 -2.551 15.188 2.766
179 HB2 ARG 28 2HB ARG 28 -2.110 17.249 4.131
180 HB3 ARG 28 1HB ARG 28 -3.734 16.599 4.278
181 HG2 ARG 28 2HG ARG 28 -2.986 15.501 6.410
182 HG3 ARG 28 1HG ARG 28 -1.489 16.426 6.278
183 HD2 ARG 28 2HD ARG 28 -3.025 17.549 7.743
184 HD3 ARG 28 1HD ARG 28 -2.851 18.498 6.268
185 HE ARG 28 HE ARG 28 -5.000 16.782 5.933
186 HH11 ARG 28 1HH1 ARG 28 -4.156 19.507 7.998
187 HH12 ARG 28 2HH1 ARG 28 -5.756 20.054 8.208
188 HH21 ARG 28 1HH2 ARG 28 -7.230 17.515 6.219
189 HH22 ARG 28 2HH2 ARG 28 -7.538 18.894 7.161
190 HN1 NH2 29 1H ARG 28 -0.755 14.417 1.914
191 HN2 NH2 29 2H ARG 28 0.791 14.386 2.688
Start of MODEL 17
1 H1 HIS 1 1HT HIS 1 11.869 -4.842 3.859
2 H2 HIS 1 2HT HIS 1 13.482 -4.709 3.421
3 H3 HIS 1 3HT HIS 1 13.084 -5.396 4.930
4 HA HIS 1 HA HIS 1 13.728 -7.064 3.343
5 HB2 HIS 1 2HB HIS 1 10.741 -7.029 3.902
6 HB3 HIS 1 1HB HIS 1 11.626 -8.422 3.316
7 HD1 HIS 1 1HD HIS 1 10.704 -6.658 6.433
8 HD2 HIS 1 2HD HIS 1 13.472 -9.512 5.193
9 HE1 HIS 1 1HE HIS 1 11.563 -7.733 8.505
10 H GLY 2 H GLY 2 12.802 -8.311 1.371
11 HA2 GLY 2 2HA GLY 2 12.677 -6.380 -0.751
12 HA3 GLY 2 1HA GLY 2 12.758 -8.126 -0.927
13 H GLU 3 H GLU 3 10.601 -5.544 0.084
14 HA GLU 3 HA GLU 3 8.438 -7.058 -1.137
15 HB2 GLU 3 2HB GLU 3 8.130 -7.050 1.282
16 HB3 GLU 3 1HB GLU 3 8.247 -5.300 1.310
17 HG2 GLU 3 2HG GLU 3 5.917 -6.149 1.488
18 HG3 GLU 3 1HG GLU 3 6.182 -5.062 0.129
19 H GLY 4 H GLY 4 8.622 -6.180 -3.000
20 HA2 GLY 4 2HA GLY 4 7.646 -3.427 -3.239
21 HA3 GLY 4 1HA GLY 4 8.928 -4.050 -4.287
22 H THR 5 H THR 5 6.473 -6.166 -3.168
23 HA THR 5 HA THR 5 5.530 -6.591 -5.876
24 HB THR 5 HB THR 5 5.060 -8.000 -3.244
25 HG1 THR 5 1HG THR 5 7.127 -8.062 -4.655
26 HG21 THR 5 3HG2 THR 5 3.091 -8.280 -4.693
27 HG22 THR 5 1HG2 THR 5 3.970 -9.801 -4.565
28 HG23 THR 5 2HG2 THR 5 4.118 -8.816 -6.023
29 H PHE 6 H PHE 6 4.430 -5.815 -2.625
30 HA PHE 6 HA PHE 6 1.999 -4.666 -3.786
31 HB2 PHE 6 2HB PHE 6 1.851 -6.772 -2.280
32 HB3 PHE 6 1HB PHE 6 2.255 -5.674 -0.965
33 HD1 PHE 6 1HD PHE 6 0.752 -3.740 -0.509
34 HD2 PHE 6 2HD PHE 6 -0.261 -6.861 -3.169
35 HE1 PHE 6 1HE PHE 6 -1.539 -3.036 -0.395
36 HE2 PHE 6 2HE PHE 6 -2.579 -6.231 -3.088
37 HZ PHE 6 HZ PHE 6 -3.291 -4.286 -1.678
38 H THR 7 H THR 7 1.413 -2.633 -2.911
39 HA THR 7 HA THR 7 3.150 -1.481 -0.899
40 HB THR 7 HB THR 7 2.795 -0.208 -3.624
41 HG1 THR 7 1HG THR 7 4.573 -1.960 -2.588
42 HG21 THR 7 3HG2 THR 7 2.898 1.333 -1.777
43 HG22 THR 7 1HG2 THR 7 4.366 1.465 -2.773
44 HG23 THR 7 2HG2 THR 7 4.393 0.589 -1.216
45 H SER 8 H SER 8 0.068 -1.521 -2.604
46 HA SER 8 HA SER 8 -0.849 0.963 -1.652
47 HB2 SER 8 2HB SER 8 -2.415 -1.369 -2.759
48 HB3 SER 8 1HB SER 8 -3.028 0.268 -2.534
49 HG SER 8 HG SER 8 -2.381 -0.035 -4.648
50 H ASP 9 H ASP 9 -0.261 0.659 0.545
51 HA ASP 9 HA ASP 9 -2.418 -0.575 2.147
52 HB2 ASP 9 2HB ASP 9 -0.103 -1.342 2.774
53 HB3 ASP 9 1HB ASP 9 0.309 0.365 2.985
54 H CYS 10 H CYS 10 -3.652 0.850 3.317
55 HA CYS 10 HA CYS 10 -3.712 3.480 2.453
56 HB2 CYS 10 2HB CYS 10 -5.611 2.215 3.521
57 HB3 CYS 10 1HB CYS 10 -4.857 2.545 5.084
58 H SER 11 H SER 11 -2.256 2.122 5.412
59 HA SER 11 HA SER 11 -1.612 4.598 6.545
60 HB2 SER 11 2HB SER 11 -0.205 1.974 6.985
61 HB3 SER 11 1HB SER 11 -0.372 3.319 8.119
62 HG SER 11 HG SER 11 -2.665 2.937 8.020
63 H LYS 12 H LYS 12 -0.057 2.473 4.307
64 HA LYS 12 HA LYS 12 2.535 3.698 4.424
65 HB2 LYS 12 2HB LYS 12 2.065 1.363 3.810
66 HB3 LYS 12 1HB LYS 12 1.376 1.964 2.303
67 HG2 LYS 12 2HG LYS 12 3.461 2.876 1.613
68 HG3 LYS 12 1HG LYS 12 4.196 2.506 3.175
69 HD2 LYS 12 2HD LYS 12 3.069 0.504 1.271
70 HD3 LYS 12 1HD LYS 12 4.797 0.907 1.421
71 HE2 LYS 12 2HE LYS 12 4.732 0.161 3.773
72 HE3 LYS 12 1HE LYS 12 3.032 -0.254 3.598
73 HZ1 LYS 12 3HZ LYS 12 5.280 -1.499 2.144
74 HZ2 LYS 12 1HZ LYS 12 3.647 -1.890 1.940
75 HZ3 LYS 12 2HZ LYS 12 4.406 -2.170 3.417
76 H GLN 13 H GLN 13 -0.313 3.959 2.296
77 HA GLN 13 HA GLN 13 1.026 5.638 0.475
78 HB2 GLN 13 2HB GLN 13 -1.921 5.200 0.949
79 HB3 GLN 13 1HB GLN 13 -1.241 6.060 -0.426
80 HG2 GLN 13 2HG GLN 13 -0.809 3.145 0.235
81 HG3 GLN 13 1HG GLN 13 -1.841 3.785 -1.041
82 HE21 GLN 13 1HE2 GLN 13 1.426 3.148 -0.055
83 HE22 GLN 13 2HE2 GLN 13 2.161 3.465 -1.573
84 H CYS 14 H CYS 14 -0.850 6.155 3.390
85 HA CYS 14 HA CYS 14 -0.910 8.964 3.180
86 HB2 CYS 14 2HB CYS 14 -1.066 7.147 5.589
87 HB3 CYS 14 1HB CYS 14 -1.262 8.892 5.678
88 H GLU 15 H GLU 15 1.489 6.684 4.485
89 HA GLU 15 HA GLU 15 3.116 8.694 5.607
90 HB2 GLU 15 2HB GLU 15 3.046 6.348 6.365
91 HB3 GLU 15 1HB GLU 15 3.765 5.849 4.846
92 HG2 GLU 15 2HG GLU 15 5.340 5.927 6.687
93 HG3 GLU 15 1HG GLU 15 5.789 7.005 5.362
94 H GLU 16 H GLU 16 3.020 7.090 2.483
95 HA GLU 16 HA GLU 16 5.395 8.331 1.501
96 HB2 GLU 16 2HB GLU 16 3.052 7.105 0.030
97 HB3 GLU 16 1HB GLU 16 4.535 7.639 -0.747
98 HG2 GLU 16 2HG GLU 16 4.382 5.502 1.370
99 HG3 GLU 16 1HG GLU 16 4.427 5.192 -0.361
100 H GLY 17 H GLY 17 2.172 9.354 1.966
101 HA2 GLY 17 2HA GLY 17 1.412 11.535 1.964
102 HA3 GLY 17 1HA GLY 17 2.884 12.031 1.135
103 H ILE 18 H ILE 18 0.580 9.552 0.263
104 HA ILE 18 HA ILE 18 0.207 10.949 -2.278
105 HB ILE 18 HB ILE 18 -0.516 8.064 -1.638
106 HG12 ILE 18 2HG1 ILE 18 1.940 9.152 -3.030
107 HG13 ILE 18 1HG1 ILE 18 1.908 8.469 -1.407
108 HG21 ILE 18 1HG2 ILE 18 -1.731 9.057 -3.539
109 HG22 ILE 18 2HG2 ILE 18 -0.584 7.839 -4.098
110 HG23 ILE 18 3HG2 ILE 18 -0.200 9.552 -4.256
111 HD11 ILE 18 3HD1 ILE 18 1.301 7.023 -3.965
112 HD12 ILE 18 1HD1 ILE 18 1.257 6.318 -2.349
113 HD13 ILE 18 2HD1 ILE 18 2.785 6.899 -3.018
114 H GLY 19 H GLY 19 -1.955 8.644 -0.707
115 HA2 GLY 19 2HA GLY 19 -4.117 8.886 0.049
116 HA3 GLY 19 1HA GLY 19 -3.774 10.604 0.206
117 H HIS 20 H HIS 20 -3.403 8.939 -2.819
118 HA HIS 20 HA HIS 20 -5.717 10.399 -3.875
119 HB2 HIS 20 2HB HIS 20 -3.490 11.360 -4.533
120 HB3 HIS 20 1HB HIS 20 -3.106 9.794 -5.242
121 HD1 HIS 20 1HD HIS 20 -3.512 9.762 -7.757
122 HD2 HIS 20 2HD HIS 20 -6.070 12.361 -5.760
123 HE1 HIS 20 1HE HIS 20 -4.901 10.876 -9.531
124 H LYS 21 H LYS 21 -7.095 9.130 -4.908
125 HA LYS 21 HA LYS 21 -8.111 7.326 -5.869
126 HB2 LYS 21 2HB LYS 21 -5.344 6.139 -6.188
127 HB3 LYS 21 1HB LYS 21 -6.835 5.482 -6.843
128 HG2 LYS 21 2HG LYS 21 -7.069 7.528 -8.241
129 HG3 LYS 21 1HG LYS 21 -5.526 8.084 -7.608
130 HD2 LYS 21 2HD LYS 21 -5.237 7.004 -9.803
131 HD3 LYS 21 1HD LYS 21 -4.394 6.122 -8.530
132 HE2 LYS 21 2HE LYS 21 -6.243 4.514 -8.413
133 HE3 LYS 21 1HE LYS 21 -7.104 5.412 -9.663
134 HZ1 LYS 21 3HZ LYS 21 -4.496 4.055 -9.949
135 HZ2 LYS 21 1HZ LYS 21 -5.299 4.855 -11.190
136 HZ3 LYS 21 2HZ LYS 21 -5.962 3.454 -10.497
137 H TYR 22 H TYR 22 -7.197 7.630 -3.052
138 HA TYR 22 HA TYR 22 -7.777 4.886 -2.242
139 HB2 TYR 22 2HB TYR 22 -5.941 6.769 -0.712
140 HB3 TYR 22 1HB TYR 22 -6.208 5.056 -0.388
141 HD1 TYR 22 1HD TYR 22 -5.900 3.851 -3.011
142 HD2 TYR 22 2HD TYR 22 -3.634 7.016 -1.263
143 HE1 TYR 22 1HE TYR 22 -4.049 3.328 -4.482
144 HE2 TYR 22 2HE TYR 22 -1.787 6.512 -2.761
145 HH TYR 22 HH TYR 22 -0.953 4.554 -3.957
146 HA PRO 23 HA PRO 23 -11.054 7.850 -0.978
147 HB2 PRO 23 2HB PRO 23 -13.037 5.991 -0.777
148 HB3 PRO 23 1HB PRO 23 -12.475 6.677 -2.310
149 HG2 PRO 23 2HG PRO 23 -11.698 4.083 -1.048
150 HG3 PRO 23 1HG PRO 23 -12.207 4.405 -2.717
151 HD2 PRO 23 2HD PRO 23 -9.643 4.150 -2.071
152 HD3 PRO 23 1HD PRO 23 -10.162 5.333 -3.290
153 H PHE 24 H PHE 24 -9.579 5.446 0.735
154 HA PHE 24 HA PHE 24 -11.044 6.118 3.165
155 HB2 PHE 24 2HB PHE 24 -9.993 3.869 3.991
156 HB3 PHE 24 1HB PHE 24 -11.427 3.844 2.969
157 HD1 PHE 24 2HD PHE 24 -7.820 3.174 3.123
158 HD2 PHE 24 1HD PHE 24 -11.322 3.071 0.729
159 HE1 PHE 24 2HE PHE 24 -6.654 1.765 1.481
160 HE2 PHE 24 1HE PHE 24 -10.202 1.706 -0.913
161 HZ PHE 24 HZ PHE 24 -7.834 1.017 -0.555
162 H CYS 25 H CYS 25 -8.423 7.099 1.669
163 HA CYS 25 HA CYS 25 -6.827 7.095 4.120
164 HB2 CYS 25 2HB CYS 25 -5.811 7.329 1.293
165 HB3 CYS 25 1HB CYS 25 -4.834 7.323 2.755
166 H HIS 26 H HIS 26 -7.801 8.930 4.906
167 HA HIS 26 HA HIS 26 -7.199 11.361 3.396
168 HB2 HIS 26 2HB HIS 26 -9.189 10.920 5.652
169 HB3 HIS 26 1HB HIS 26 -8.839 12.483 4.920
170 HD1 HIS 26 1HD HIS 26 -10.748 9.340 4.361
171 HD2 HIS 26 2HD HIS 26 -9.812 12.823 2.314
172 HE1 HIS 26 1HE HIS 26 -12.274 9.388 2.335
173 H CYS 27 H CYS 27 -5.225 11.881 3.944
174 HA CYS 27 HA CYS 27 -4.515 12.092 6.763
175 HB2 CYS 27 2HB CYS 27 -2.813 10.670 4.691
176 HB3 CYS 27 1HB CYS 27 -2.453 10.866 6.397
177 H ARG 28 H ARG 28 -1.966 12.936 6.547
178 HA ARG 28 HA ARG 28 -0.747 14.719 6.292
179 HB2 ARG 28 2HB ARG 28 -1.401 14.268 3.375
180 HB3 ARG 28 1HB ARG 28 -0.096 15.258 4.032
181 HG2 ARG 28 2HG ARG 28 -0.349 12.336 4.638
182 HG3 ARG 28 1HG ARG 28 0.557 12.951 3.258
183 HD2 ARG 28 2HD ARG 28 2.158 13.975 4.613
184 HD3 ARG 28 1HD ARG 28 1.116 13.961 6.037
185 HE ARG 28 HE ARG 28 1.327 11.436 5.718
186 HH11 ARG 28 1HH1 ARG 28 4.040 13.643 5.148
187 HH12 ARG 28 2HH1 ARG 28 5.215 12.591 5.761
188 HH21 ARG 28 1HH2 ARG 28 2.897 10.046 6.606
189 HH22 ARG 28 2HH2 ARG 28 4.549 10.407 6.574
190 HN1 NH2 29 1H ARG 28 -2.634 15.789 3.563
191 HN2 NH2 29 2H ARG 28 -3.198 17.239 4.314
Start of MODEL 18
1 H1 HIS 1 1HT HIS 1 2.136 -16.082 -3.221
2 H2 HIS 1 2HT HIS 1 3.462 -15.124 -3.672
3 H3 HIS 1 3HT HIS 1 2.792 -16.177 -4.770
4 HA HIS 1 HA HIS 1 0.787 -14.902 -4.905
5 HB2 HIS 1 2HB HIS 1 0.904 -14.100 -2.503
6 HB3 HIS 1 1HB HIS 1 2.192 -13.004 -2.987
7 HD1 HIS 1 1HD HIS 1 1.449 -10.789 -4.222
8 HD2 HIS 1 2HD HIS 1 -1.649 -13.434 -3.355
9 HE1 HIS 1 1HE HIS 1 -0.691 -9.555 -4.686
10 H GLY 2 H GLY 2 0.700 -13.196 -6.478
11 HA2 GLY 2 2HA GLY 2 3.165 -12.817 -7.871
12 HA3 GLY 2 1HA GLY 2 1.592 -12.161 -8.321
13 H GLU 3 H GLU 3 4.503 -11.686 -6.615
14 HA GLU 3 HA GLU 3 5.630 -9.873 -5.939
15 HB2 GLU 3 2HB GLU 3 3.253 -8.282 -6.865
16 HB3 GLU 3 1HB GLU 3 4.679 -7.569 -6.144
17 HG2 GLU 3 2HG GLU 3 6.002 -8.464 -8.023
18 HG3 GLU 3 1HG GLU 3 4.497 -9.055 -8.740
19 H GLY 4 H GLY 4 5.730 -8.351 -4.262
20 HA2 GLY 4 2HA GLY 4 3.544 -8.377 -2.336
21 HA3 GLY 4 1HA GLY 4 5.193 -8.764 -1.819
22 H THR 5 H THR 5 4.589 -6.592 -4.407
23 HA THR 5 HA THR 5 6.183 -4.550 -3.265
24 HB THR 5 HB THR 5 4.371 -4.506 -5.689
25 HG1 THR 5 1HG THR 5 5.905 -5.416 -6.760
26 HG21 THR 5 3HG2 THR 5 5.776 -2.593 -6.434
27 HG22 THR 5 1HG2 THR 5 6.613 -2.631 -4.882
28 HG23 THR 5 2HG2 THR 5 4.893 -2.238 -4.957
29 H PHE 6 H PHE 6 2.753 -4.892 -4.001
30 HA PHE 6 HA PHE 6 2.172 -2.493 -2.423
31 HB2 PHE 6 2HB PHE 6 2.457 -1.982 -4.798
32 HB3 PHE 6 1HB PHE 6 1.269 -3.204 -5.196
33 HD1 PHE 6 2HD PHE 6 1.845 0.094 -3.819
34 HD2 PHE 6 1HD PHE 6 -1.071 -2.782 -4.910
35 HE1 PHE 6 2HE PHE 6 0.169 1.815 -3.759
36 HE2 PHE 6 1HE PHE 6 -2.795 -1.076 -4.867
37 HZ PHE 6 HZ PHE 6 -2.204 1.268 -4.290
38 H THR 7 H THR 7 0.220 -2.660 -1.358
39 HA THR 7 HA THR 7 -1.660 -4.708 -2.194
40 HB THR 7 HB THR 7 -0.905 -4.381 0.746
41 HG1 THR 7 1HG THR 7 0.320 -5.704 -1.278
42 HG21 THR 7 3HG2 THR 7 -2.233 -6.397 1.004
43 HG22 THR 7 1HG2 THR 7 -2.387 -6.482 -0.780
44 HG23 THR 7 2HG2 THR 7 -3.105 -5.134 0.075
45 H SER 8 H SER 8 -1.225 -1.735 -2.078
46 HA SER 8 HA SER 8 -2.346 0.217 -1.853
47 HB2 SER 8 2HB SER 8 -4.130 -1.023 -3.060
48 HB3 SER 8 1HB SER 8 -4.773 -1.590 -1.520
49 HG SER 8 HG SER 8 -5.028 0.636 -0.978
50 H ASP 9 H ASP 9 -1.042 -0.733 0.279
51 HA ASP 9 HA ASP 9 -2.528 -0.778 2.703
52 HB2 ASP 9 2HB ASP 9 -0.162 -1.700 2.431
53 HB3 ASP 9 1HB ASP 9 0.331 0.005 2.417
54 H CYS 10 H CYS 10 -3.442 0.850 3.656
55 HA CYS 10 HA CYS 10 -3.208 3.449 2.616
56 HB2 CYS 10 2HB CYS 10 -5.246 2.437 3.700
57 HB3 CYS 10 1HB CYS 10 -4.448 2.699 5.250
58 H SER 11 H SER 11 -1.698 1.778 5.318
59 HA SER 11 HA SER 11 -0.786 4.083 6.562
60 HB2 SER 11 2HB SER 11 0.327 1.277 6.684
61 HB3 SER 11 1HB SER 11 0.794 2.587 7.769
62 HG SER 11 HG SER 11 -1.382 0.994 7.749
63 H LYS 12 H LYS 12 0.406 2.263 3.875
64 HA LYS 12 HA LYS 12 2.889 3.672 3.848
65 HB2 LYS 12 2HB LYS 12 1.639 1.927 1.751
66 HB3 LYS 12 1HB LYS 12 3.256 2.620 1.659
67 HG2 LYS 12 2HG LYS 12 3.780 1.487 3.807
68 HG3 LYS 12 1HG LYS 12 2.225 0.670 3.684
69 HD2 LYS 12 2HD LYS 12 3.883 -0.801 2.867
70 HD3 LYS 12 1HD LYS 12 2.942 -0.182 1.492
71 HE2 LYS 12 2HE LYS 12 4.691 1.325 0.873
72 HE3 LYS 12 1HE LYS 12 5.586 0.988 2.351
73 HZ1 LYS 12 3HZ LYS 12 6.542 -0.139 0.458
74 HZ2 LYS 12 1HZ LYS 12 5.102 -0.956 0.148
75 HZ3 LYS 12 2HZ LYS 12 5.959 -1.256 1.560
76 H GLN 13 H GLN 13 -0.275 4.037 2.266
77 HA GLN 13 HA GLN 13 0.682 5.936 0.419
78 HB2 GLN 13 2HB GLN 13 -2.159 5.564 1.352
79 HB3 GLN 13 1HB GLN 13 -1.625 6.318 -0.146
80 HG2 GLN 13 2HG GLN 13 -1.467 3.413 0.615
81 HG3 GLN 13 1HG GLN 13 -2.397 4.144 -0.688
82 HE21 GLN 13 1HE2 GLN 13 -0.367 2.033 -0.628
83 HE22 GLN 13 2HE2 GLN 13 0.846 2.471 -1.763
84 H CYS 14 H CYS 14 -0.723 6.173 3.643
85 HA CYS 14 HA CYS 14 -0.543 9.031 3.522
86 HB2 CYS 14 2HB CYS 14 -1.296 7.171 5.767
87 HB3 CYS 14 1HB CYS 14 -1.074 8.896 6.038
88 H GLU 15 H GLU 15 1.618 6.502 4.308
89 HA GLU 15 HA GLU 15 3.500 7.983 5.843
90 HB2 GLU 15 2HB GLU 15 3.446 5.505 5.551
91 HB3 GLU 15 1HB GLU 15 3.905 5.726 3.876
92 HG2 GLU 15 2HG GLU 15 5.985 6.829 4.718
93 HG3 GLU 15 1HG GLU 15 5.522 6.264 6.328
94 H GLU 16 H GLU 16 2.876 7.465 2.445
95 HA GLU 16 HA GLU 16 5.049 9.071 1.468
96 HB2 GLU 16 2HB GLU 16 2.586 7.977 0.116
97 HB3 GLU 16 1HB GLU 16 3.905 8.781 -0.720
98 HG2 GLU 16 2HG GLU 16 4.149 6.246 0.869
99 HG3 GLU 16 1HG GLU 16 3.982 6.328 -0.882
100 H GLY 17 H GLY 17 1.804 9.508 2.417
101 HA2 GLY 17 2HA GLY 17 0.677 11.474 2.913
102 HA3 GLY 17 1HA GLY 17 2.028 12.376 2.230
103 H ILE 18 H ILE 18 0.306 9.847 0.575
104 HA ILE 18 HA ILE 18 -0.291 11.771 -1.511
105 HB ILE 18 HB ILE 18 -0.759 8.766 -1.568
106 HG12 ILE 18 2HG1 ILE 18 1.560 10.353 -2.693
107 HG13 ILE 18 1HG1 ILE 18 1.634 9.369 -1.238
108 HG21 ILE 18 1HG2 ILE 18 -0.826 9.086 -4.014
109 HG22 ILE 18 2HG2 ILE 18 -0.611 10.822 -3.789
110 HG23 ILE 18 3HG2 ILE 18 -2.077 10.033 -3.204
111 HD11 ILE 18 3HD1 ILE 18 1.085 8.371 -4.027
112 HD12 ILE 18 1HD1 ILE 18 1.159 7.374 -2.574
113 HD13 ILE 18 2HD1 ILE 18 2.602 8.215 -3.141
114 H GLY 19 H GLY 19 -2.295 9.013 -0.458
115 HA2 GLY 19 2HA GLY 19 -4.533 8.930 0.150
116 HA3 GLY 19 1HA GLY 19 -4.406 10.638 0.551
117 H HIS 20 H HIS 20 -3.651 9.341 -2.576
118 HA HIS 20 HA HIS 20 -6.019 10.626 -3.720
119 HB2 HIS 20 2HB HIS 20 -3.862 11.977 -3.902
120 HB3 HIS 20 1HB HIS 20 -3.216 10.637 -4.834
121 HD1 HIS 20 1HD HIS 20 -2.907 12.479 -6.760
122 HD2 HIS 20 2HD HIS 20 -6.827 11.553 -5.750
123 HE1 HIS 20 1HE HIS 20 -4.334 13.443 -8.588
124 H LYS 21 H LYS 21 -7.102 9.164 -4.880
125 HA LYS 21 HA LYS 21 -7.703 7.317 -6.005
126 HB2 LYS 21 2HB LYS 21 -4.740 6.749 -6.276
127 HB3 LYS 21 1HB LYS 21 -5.986 5.714 -6.945
128 HG2 LYS 21 2HG LYS 21 -5.560 8.606 -7.686
129 HG3 LYS 21 1HG LYS 21 -4.945 7.232 -8.602
130 HD2 LYS 21 2HD LYS 21 -7.857 7.822 -8.050
131 HD3 LYS 21 1HD LYS 21 -7.018 8.171 -9.557
132 HE2 LYS 21 2HE LYS 21 -7.439 5.423 -8.359
133 HE3 LYS 21 1HE LYS 21 -8.334 6.111 -9.703
134 HZ1 LYS 21 3HZ LYS 21 -6.637 4.625 -10.471
135 HZ2 LYS 21 1HZ LYS 21 -5.423 5.502 -9.697
136 HZ3 LYS 21 2HZ LYS 21 -6.286 6.184 -10.991
137 H TYR 22 H TYR 22 -6.860 7.654 -3.148
138 HA TYR 22 HA TYR 22 -7.289 4.854 -2.432
139 HB2 TYR 22 2HB TYR 22 -5.600 6.721 -0.738
140 HB3 TYR 22 1HB TYR 22 -5.728 4.969 -0.607
141 HD1 TYR 22 2HD TYR 22 -5.177 3.945 -3.183
142 HD2 TYR 22 1HD TYR 22 -3.486 7.345 -1.325
143 HE1 TYR 22 2HE TYR 22 -3.273 3.757 -4.657
144 HE2 TYR 22 1HE TYR 22 -1.563 7.233 -2.830
145 HH TYR 22 HH TYR 22 -0.388 5.514 -4.153
146 HA PRO 23 HA PRO 23 -10.649 7.668 -1.134
147 HB2 PRO 23 2HB PRO 23 -12.540 5.691 -0.900
148 HB3 PRO 23 1HB PRO 23 -12.072 6.435 -2.434
149 HG2 PRO 23 2HG PRO 23 -11.161 3.857 -1.261
150 HG3 PRO 23 1HG PRO 23 -11.674 4.225 -2.917
151 HD2 PRO 23 2HD PRO 23 -9.086 4.046 -2.244
152 HD3 PRO 23 1HD PRO 23 -9.637 5.210 -3.458
153 H PHE 24 H PHE 24 -9.370 4.960 0.468
154 HA PHE 24 HA PHE 24 -10.783 5.482 2.953
155 HB2 PHE 24 2HB PHE 24 -9.401 3.342 3.600
156 HB3 PHE 24 1HB PHE 24 -10.832 3.208 2.580
157 HD1 PHE 24 1HD PHE 24 -7.137 3.192 2.575
158 HD2 PHE 24 2HD PHE 24 -10.686 2.526 0.343
159 HE1 PHE 24 1HE PHE 24 -5.814 2.156 0.781
160 HE2 PHE 24 2HE PHE 24 -9.414 1.518 -1.445
161 HZ PHE 24 HZ PHE 24 -6.951 1.304 -1.253
162 H CYS 25 H CYS 25 -8.330 6.962 1.627
163 HA CYS 25 HA CYS 25 -6.757 6.998 4.101
164 HB2 CYS 25 2HB CYS 25 -5.737 7.299 1.286
165 HB3 CYS 25 1HB CYS 25 -4.777 7.513 2.743
166 H HIS 26 H HIS 26 -7.362 8.840 5.058
167 HA HIS 26 HA HIS 26 -7.277 11.286 3.463
168 HB2 HIS 26 2HB HIS 26 -9.205 11.036 5.032
169 HB3 HIS 26 1HB HIS 26 -8.081 10.832 6.369
170 HD1 HIS 26 1HD HIS 26 -9.767 13.454 4.302
171 HD2 HIS 26 2HD HIS 26 -6.762 13.199 7.163
172 HE1 HIS 26 1HE HIS 26 -9.375 15.804 5.100
173 H CYS 27 H CYS 27 -5.211 11.715 3.143
174 HA CYS 27 HA CYS 27 -3.362 11.384 5.381
175 HB2 CYS 27 2HB CYS 27 -2.710 11.763 2.446
176 HB3 CYS 27 1HB CYS 27 -1.592 11.314 3.723
177 H ARG 28 H ARG 28 -1.567 13.142 5.370
178 HA ARG 28 HA ARG 28 -2.917 15.692 5.475
179 HB2 ARG 28 2HB ARG 28 -0.005 15.087 6.042
180 HB3 ARG 28 1HB ARG 28 -0.891 16.523 6.517
181 HG2 ARG 28 2HG ARG 28 -1.302 13.728 7.566
182 HG3 ARG 28 1HG ARG 28 -0.561 15.078 8.418
183 HD2 ARG 28 2HD ARG 28 -2.706 16.287 8.313
184 HD3 ARG 28 1HD ARG 28 -3.421 14.899 7.491
185 HE ARG 28 HE ARG 28 -2.233 14.069 9.885
186 HH11 ARG 28 1HH1 ARG 28 -5.071 15.819 8.732
187 HH12 ARG 28 2HH1 ARG 28 -6.013 15.489 10.112
188 HH21 ARG 28 1HH2 ARG 28 -3.523 13.642 11.810
189 HH22 ARG 28 2HH2 ARG 28 -5.108 14.250 11.889
190 HN1 NH2 29 1H ARG 28 -3.292 16.136 3.308
191 HN2 NH2 29 2H ARG 28 -2.033 16.588 2.208
Start of MODEL 19
1 H1 HIS 1 1HT HIS 1 13.200 -10.599 -10.808
2 H2 HIS 1 2HT HIS 1 13.228 -12.285 -10.782
3 H3 HIS 1 3HT HIS 1 13.660 -11.391 -9.411
4 HA HIS 1 HA HIS 1 10.987 -11.409 -10.655
5 HB2 HIS 1 2HB HIS 1 11.903 -12.542 -7.986
6 HB3 HIS 1 1HB HIS 1 10.246 -12.481 -8.550
7 HD1 HIS 1 1HD HIS 1 13.317 -14.530 -8.708
8 HD2 HIS 1 2HD HIS 1 9.661 -14.302 -10.674
9 HE1 HIS 1 1HE HIS 1 13.041 -16.719 -9.916
10 H GLY 2 H GLY 2 9.404 -10.393 -9.042
11 HA2 GLY 2 2HA GLY 2 10.398 -8.561 -7.121
12 HA3 GLY 2 1HA GLY 2 9.918 -7.756 -8.617
13 H GLU 3 H GLU 3 8.611 -7.495 -6.049
14 HA GLU 3 HA GLU 3 6.139 -8.947 -6.575
15 HB2 GLU 3 2HB GLU 3 5.410 -8.400 -4.333
16 HB3 GLU 3 1HB GLU 3 6.995 -9.149 -4.282
17 HG2 GLU 3 2HG GLU 3 8.042 -7.026 -3.870
18 HG3 GLU 3 1HG GLU 3 6.515 -6.183 -4.118
19 H GLY 4 H GLY 4 4.181 -7.928 -6.604
20 HA2 GLY 4 2HA GLY 4 3.866 -5.107 -6.374
21 HA3 GLY 4 1HA GLY 4 3.804 -5.675 -8.048
22 H THR 5 H THR 5 2.844 -7.405 -5.193
23 HA THR 5 HA THR 5 0.402 -8.245 -6.416
24 HB THR 5 HB THR 5 1.381 -8.608 -3.586
25 HG1 THR 5 1HG THR 5 1.689 -10.355 -5.807
26 HG21 THR 5 3HG2 THR 5 -0.999 -9.128 -3.876
27 HG22 THR 5 1HG2 THR 5 -0.077 -10.604 -3.604
28 HG23 THR 5 2HG2 THR 5 -0.619 -10.191 -5.232
29 H PHE 6 H PHE 6 1.353 -6.215 -3.665
30 HA PHE 6 HA PHE 6 -1.379 -5.192 -3.548
31 HB2 PHE 6 2HB PHE 6 -0.900 -7.088 -1.931
32 HB3 PHE 6 1HB PHE 6 0.235 -6.008 -1.141
33 HD1 PHE 6 2HD PHE 6 -0.581 -4.084 0.148
34 HD2 PHE 6 1HD PHE 6 -3.214 -6.781 -1.799
35 HE1 PHE 6 2HE PHE 6 -2.434 -3.225 1.472
36 HE2 PHE 6 1HE PHE 6 -5.071 -5.948 -0.497
37 HZ PHE 6 HZ PHE 6 -4.710 -4.155 1.163
38 H THR 7 H THR 7 -1.365 -3.036 -3.287
39 HA THR 7 HA THR 7 0.980 -1.772 -2.094
40 HB THR 7 HB THR 7 1.190 -1.762 -4.523
41 HG1 THR 7 1HG THR 7 0.897 0.590 -3.022
42 HG21 THR 7 3HG2 THR 7 -1.143 -1.684 -5.158
43 HG22 THR 7 1HG2 THR 7 -0.314 -0.304 -5.894
44 HG23 THR 7 2HG2 THR 7 -1.319 -0.087 -4.449
45 H SER 8 H SER 8 -1.981 -2.372 -1.682
46 HA SER 8 HA SER 8 -3.178 0.240 -1.380
47 HB2 SER 8 2HB SER 8 -4.233 -2.483 -0.629
48 HB3 SER 8 1HB SER 8 -5.157 -0.982 -0.723
49 HG SER 8 HG SER 8 -5.286 -1.186 -2.767
50 H ASP 9 H ASP 9 -0.839 -0.762 0.304
51 HA ASP 9 HA ASP 9 -1.613 -0.992 3.000
52 HB2 ASP 9 2HB ASP 9 0.905 0.098 1.739
53 HB3 ASP 9 1HB ASP 9 0.721 -0.142 3.470
54 H CYS 10 H CYS 10 -2.977 0.443 3.728
55 HA CYS 10 HA CYS 10 -3.314 3.023 2.752
56 HB2 CYS 10 2HB CYS 10 -4.977 1.539 3.976
57 HB3 CYS 10 1HB CYS 10 -4.223 2.118 5.463
58 H SER 11 H SER 11 -1.601 1.818 5.573
59 HA SER 11 HA SER 11 -1.079 4.317 6.718
60 HB2 SER 11 2HB SER 11 -0.966 2.100 7.904
61 HB3 SER 11 1HB SER 11 0.505 1.747 7.004
62 HG SER 11 HG SER 11 1.365 2.621 8.671
63 H LYS 12 H LYS 12 0.494 2.422 4.209
64 HA LYS 12 HA LYS 12 2.825 4.048 4.233
65 HB2 LYS 12 2HB LYS 12 1.973 1.869 2.384
66 HB3 LYS 12 1HB LYS 12 3.431 2.825 2.126
67 HG2 LYS 12 2HG LYS 12 4.214 2.183 4.361
68 HG3 LYS 12 1HG LYS 12 2.788 1.160 4.538
69 HD2 LYS 12 2HD LYS 12 4.655 -0.182 3.899
70 HD3 LYS 12 1HD LYS 12 3.489 -0.090 2.568
71 HE2 LYS 12 2HE LYS 12 5.766 0.099 1.704
72 HE3 LYS 12 1HE LYS 12 4.886 1.604 1.474
73 HZ1 LYS 12 3HZ LYS 12 6.079 2.556 3.384
74 HZ2 LYS 12 1HZ LYS 12 7.161 1.970 2.244
75 HZ3 LYS 12 2HZ LYS 12 6.859 1.106 3.660
76 H GLN 13 H GLN 13 -0.203 4.060 2.432
77 HA GLN 13 HA GLN 13 0.763 5.831 0.477
78 HB2 GLN 13 2HB GLN 13 -2.089 5.361 1.377
79 HB3 GLN 13 1HB GLN 13 -1.590 6.053 -0.171
80 HG2 GLN 13 2HG GLN 13 -1.321 3.211 0.802
81 HG3 GLN 13 1HG GLN 13 -2.230 3.804 -0.583
82 HE21 GLN 13 1HE2 GLN 13 -1.127 4.127 -2.549
83 HE22 GLN 13 2HE2 GLN 13 0.516 3.635 -2.743
84 H CYS 14 H CYS 14 -0.780 6.129 3.607
85 HA CYS 14 HA CYS 14 -0.897 8.970 3.608
86 HB2 CYS 14 2HB CYS 14 -0.837 6.975 5.882
87 HB3 CYS 14 1HB CYS 14 -1.139 8.696 6.089
88 H GLU 15 H GLU 15 1.512 6.604 4.481
89 HA GLU 15 HA GLU 15 3.386 8.075 5.893
90 HB2 GLU 15 2HB GLU 15 3.382 5.643 5.635
91 HB3 GLU 15 1HB GLU 15 3.717 5.824 3.927
92 HG2 GLU 15 2HG GLU 15 5.928 6.647 4.425
93 HG3 GLU 15 1HG GLU 15 5.587 6.564 6.156
94 H GLU 16 H GLU 16 2.884 7.811 2.401
95 HA GLU 16 HA GLU 16 5.066 9.717 2.011
96 HB2 GLU 16 2HB GLU 16 3.502 8.160 -0.042
97 HB3 GLU 16 1HB GLU 16 4.829 9.256 -0.404
98 HG2 GLU 16 2HG GLU 16 6.276 7.826 1.042
99 HG3 GLU 16 1HG GLU 16 4.933 6.690 1.131
100 H GLY 17 H GLY 17 1.753 9.708 2.347
101 HA2 GLY 17 2HA GLY 17 0.260 11.468 2.316
102 HA3 GLY 17 1HA GLY 17 1.578 12.519 1.802
103 H ILE 18 H ILE 18 0.186 9.624 0.392
104 HA ILE 18 HA ILE 18 0.241 10.878 -2.213
105 HB ILE 18 HB ILE 18 -0.824 8.129 -1.508
106 HG12 ILE 18 2HG1 ILE 18 1.963 8.919 -2.388
107 HG13 ILE 18 1HG1 ILE 18 1.506 8.397 -0.771
108 HG21 ILE 18 1HG2 ILE 18 -0.347 7.639 -3.883
109 HG22 ILE 18 2HG2 ILE 18 0.146 9.314 -4.120
110 HG23 ILE 18 3HG2 ILE 18 -1.526 8.938 -3.709
111 HD11 ILE 18 3HD1 ILE 18 2.546 6.592 -1.997
112 HD12 ILE 18 1HD1 ILE 18 1.341 6.769 -3.278
113 HD13 ILE 18 2HD1 ILE 18 0.841 6.235 -1.679
114 H GLY 19 H GLY 19 -2.304 8.955 -0.649
115 HA2 GLY 19 2HA GLY 19 -4.569 9.290 -0.410
116 HA3 GLY 19 1HA GLY 19 -4.267 10.992 -0.695
117 H HIS 20 H HIS 20 -3.003 9.751 -3.309
118 HA HIS 20 HA HIS 20 -5.155 10.566 -4.942
119 HB2 HIS 20 2HB HIS 20 -2.761 10.907 -5.540
120 HB3 HIS 20 1HB HIS 20 -2.595 9.169 -5.745
121 HD1 HIS 20 1HD HIS 20 -4.128 12.206 -7.406
122 HD2 HIS 20 2HD HIS 20 -3.510 8.164 -8.138
123 HE1 HIS 20 1HE HIS 20 -4.781 11.837 -9.791
124 H LYS 21 H LYS 21 -6.854 9.453 -5.391
125 HA LYS 21 HA LYS 21 -8.295 7.799 -5.972
126 HB2 LYS 21 2HB LYS 21 -5.829 6.110 -6.454
127 HB3 LYS 21 1HB LYS 21 -7.465 5.652 -6.881
128 HG2 LYS 21 2HG LYS 21 -7.585 7.431 -8.520
129 HG3 LYS 21 1HG LYS 21 -6.006 8.038 -8.018
130 HD2 LYS 21 2HD LYS 21 -4.987 5.890 -8.717
131 HD3 LYS 21 1HD LYS 21 -6.565 5.343 -9.276
132 HE2 LYS 21 2HE LYS 21 -6.626 7.131 -10.922
133 HE3 LYS 21 1HE LYS 21 -5.102 7.771 -10.312
134 HZ1 LYS 21 3HZ LYS 21 -5.458 5.096 -11.564
135 HZ2 LYS 21 1HZ LYS 21 -4.001 5.733 -11.013
136 HZ3 LYS 21 2HZ LYS 21 -4.779 6.434 -12.322
137 H TYR 22 H TYR 22 -7.082 8.119 -3.183
138 HA TYR 22 HA TYR 22 -7.968 5.491 -2.212
139 HB2 TYR 22 2HB TYR 22 -5.886 7.136 -0.751
140 HB3 TYR 22 1HB TYR 22 -6.363 5.472 -0.441
141 HD1 TYR 22 1HD TYR 22 -6.237 4.337 -3.169
142 HD2 TYR 22 2HD TYR 22 -3.588 7.005 -1.168
143 HE1 TYR 22 1HE TYR 22 -4.475 3.638 -4.621
144 HE2 TYR 22 2HE TYR 22 -1.802 6.347 -2.639
145 HH TYR 22 HH TYR 22 -2.288 4.549 -5.446
146 HA PRO 23 HA PRO 23 -10.665 8.647 -0.309
147 HB2 PRO 23 2HB PRO 23 -12.897 7.083 -0.241
148 HB3 PRO 23 1HB PRO 23 -12.320 7.914 -1.705
149 HG2 PRO 23 2HG PRO 23 -11.902 5.067 -0.931
150 HG3 PRO 23 1HG PRO 23 -12.477 5.736 -2.468
151 HD2 PRO 23 2HD PRO 23 -9.919 5.019 -2.079
152 HD3 PRO 23 1HD PRO 23 -10.356 6.387 -3.118
153 H PHE 24 H PHE 24 -9.846 5.429 0.459
154 HA PHE 24 HA PHE 24 -10.727 5.548 3.187
155 HB2 PHE 24 2HB PHE 24 -9.516 3.213 3.184
156 HB3 PHE 24 1HB PHE 24 -11.070 3.400 2.386
157 HD1 PHE 24 2HD PHE 24 -11.230 3.390 -0.004
158 HD2 PHE 24 1HD PHE 24 -7.485 2.849 1.902
159 HE1 PHE 24 2HE PHE 24 -10.315 2.636 -2.102
160 HE2 PHE 24 1HE PHE 24 -6.522 2.057 -0.210
161 HZ PHE 24 HZ PHE 24 -7.926 1.940 -2.240
162 H CYS 25 H CYS 25 -8.056 6.676 1.552
163 HA CYS 25 HA CYS 25 -6.460 6.593 4.009
164 HB2 CYS 25 2HB CYS 25 -5.285 6.252 1.250
165 HB3 CYS 25 1HB CYS 25 -4.414 6.258 2.774
166 H HIS 26 H HIS 26 -7.568 8.723 4.097
167 HA HIS 26 HA HIS 26 -6.091 10.685 2.501
168 HB2 HIS 26 2HB HIS 26 -8.586 10.840 2.350
169 HB3 HIS 26 1HB HIS 26 -8.648 11.093 4.087
170 HD1 HIS 26 1HD HIS 26 -8.013 12.877 0.889
171 HD2 HIS 26 2HD HIS 26 -7.660 13.607 4.961
172 HE1 HIS 26 1HE HIS 26 -7.731 15.379 1.128
173 H CYS 27 H CYS 27 -4.329 11.216 3.584
174 HA CYS 27 HA CYS 27 -4.625 11.873 6.401
175 HB2 CYS 27 2HB CYS 27 -2.343 10.298 5.190
176 HB3 CYS 27 1HB CYS 27 -2.478 10.786 6.875
177 H ARG 28 H ARG 28 -3.820 13.801 6.805
178 HA ARG 28 HA ARG 28 -2.890 15.448 4.742
179 HB2 ARG 28 2HB ARG 28 -2.454 17.134 6.551
180 HB3 ARG 28 1HB ARG 28 -4.086 16.499 6.486
181 HG2 ARG 28 2HG ARG 28 -3.679 15.106 8.401
182 HG3 ARG 28 1HG ARG 28 -1.967 15.542 8.401
183 HD2 ARG 28 2HD ARG 28 -4.255 17.459 8.795
184 HD3 ARG 28 1HD ARG 28 -3.259 16.782 10.087
185 HE ARG 28 HE ARG 28 -1.433 17.850 8.462
186 HH11 ARG 28 1HH1 ARG 28 -4.336 19.240 9.953
187 HH12 ARG 28 2HH1 ARG 28 -3.728 20.830 9.933
188 HH21 ARG 28 1HH2 ARG 28 -0.639 20.017 8.436
189 HH22 ARG 28 2HH2 ARG 28 -1.585 21.292 9.045
190 HN1 NH2 29 1H ARG 28 -1.046 15.153 3.757
191 HN2 NH2 29 2H ARG 28 0.488 14.926 4.518
Start of MODEL 20
1 H1 HIS 1 1HT HIS 1 7.714 -1.242 -4.551
2 H2 HIS 1 2HT HIS 1 6.371 -2.114 -5.045
3 H3 HIS 1 3HT HIS 1 6.917 -0.822 -5.987
4 HA HIS 1 HA HIS 1 7.504 -2.920 -6.957
5 HB2 HIS 1 2HB HIS 1 9.098 -1.012 -7.143
6 HB3 HIS 1 1HB HIS 1 9.915 -1.587 -5.698
7 HD1 HIS 1 1HD HIS 1 9.254 -2.682 -9.292
8 HD2 HIS 1 2HD HIS 1 11.849 -3.436 -6.134
9 HE1 HIS 1 1HE HIS 1 11.008 -4.205 -10.196
10 H GLY 2 H GLY 2 7.535 -5.019 -6.505
11 HA2 GLY 2 2HA GLY 2 8.066 -6.994 -5.426
12 HA3 GLY 2 1HA GLY 2 9.063 -6.081 -4.285
13 H GLU 3 H GLU 3 5.746 -6.604 -5.233
14 HA GLU 3 HA GLU 3 4.780 -5.463 -2.789
15 HB2 GLU 3 2HB GLU 3 3.270 -6.698 -5.076
16 HB3 GLU 3 1HB GLU 3 2.578 -5.757 -3.761
17 HG2 GLU 3 2HG GLU 3 4.462 -4.789 -5.895
18 HG3 GLU 3 1HG GLU 3 2.771 -4.338 -5.669
19 H GLY 4 H GLY 4 4.265 -6.483 -1.062
20 HA2 GLY 4 2HA GLY 4 4.074 -9.402 -1.110
21 HA3 GLY 4 1HA GLY 4 4.414 -8.413 0.309
22 H THR 5 H THR 5 2.621 -6.799 0.831
23 HA THR 5 HA THR 5 0.184 -8.340 0.940
24 HB THR 5 HB THR 5 0.912 -5.734 2.277
25 HG1 THR 5 1HG THR 5 1.829 -8.071 2.735
26 HG21 THR 5 3HG2 THR 5 -1.028 -6.169 3.733
27 HG22 THR 5 1HG2 THR 5 -1.426 -7.604 2.784
28 HG23 THR 5 2HG2 THR 5 -1.528 -5.999 2.058
29 H PHE 6 H PHE 6 0.745 -4.837 0.439
30 HA PHE 6 HA PHE 6 -1.148 -4.828 -1.712
31 HB2 PHE 6 2HB PHE 6 -2.550 -5.024 0.284
32 HB3 PHE 6 1HB PHE 6 -1.792 -3.596 0.957
33 HD1 PHE 6 1HD PHE 6 -2.707 -3.745 -2.626
34 HD2 PHE 6 2HD PHE 6 -3.865 -2.550 1.289
35 HE1 PHE 6 1HE PHE 6 -4.552 -2.461 -3.565
36 HE2 PHE 6 2HE PHE 6 -5.690 -1.248 0.368
37 HZ PHE 6 HZ PHE 6 -6.062 -1.190 -2.083
38 H THR 7 H THR 7 -0.328 -3.444 -3.021
39 HA THR 7 HA THR 7 1.710 -1.673 -2.665
40 HB THR 7 HB THR 7 -0.543 -1.573 -4.662
41 HG1 THR 7 1HG THR 7 1.822 -3.074 -4.394
42 HG21 THR 7 3HG2 THR 7 2.351 -0.735 -4.847
43 HG22 THR 7 1HG2 THR 7 0.960 0.345 -4.691
44 HG23 THR 7 2HG2 THR 7 1.141 -0.652 -6.143
45 H SER 8 H SER 8 -1.773 -1.098 -2.579
46 HA SER 8 HA SER 8 -1.387 1.709 -2.020
47 HB2 SER 8 2HB SER 8 -3.911 0.111 -2.399
48 HB3 SER 8 1HB SER 8 -3.739 1.867 -2.462
49 HG SER 8 HG SER 8 -3.795 0.715 -4.500
50 H ASP 9 H ASP 9 -0.530 -0.138 0.052
51 HA ASP 9 HA ASP 9 -2.384 -0.567 2.099
52 HB2 ASP 9 2HB ASP 9 0.048 -1.346 2.197
53 HB3 ASP 9 1HB ASP 9 0.424 0.352 2.566
54 H CYS 10 H CYS 10 -3.515 0.785 3.271
55 HA CYS 10 HA CYS 10 -3.623 3.489 2.674
56 HB2 CYS 10 2HB CYS 10 -5.427 1.977 3.695
57 HB3 CYS 10 1HB CYS 10 -4.669 2.347 5.244
58 H SER 11 H SER 11 -1.928 1.791 5.264
59 HA SER 11 HA SER 11 -1.351 4.106 6.744
60 HB2 SER 11 2HB SER 11 0.186 1.515 6.709
61 HB3 SER 11 1HB SER 11 0.105 2.692 8.021
62 HG SER 11 HG SER 11 -1.506 0.658 7.428
63 H LYS 12 H LYS 12 0.256 2.253 4.281
64 HA LYS 12 HA LYS 12 2.717 3.641 4.388
65 HB2 LYS 12 2HB LYS 12 2.508 1.382 3.441
66 HB3 LYS 12 1HB LYS 12 1.515 2.052 2.146
67 HG2 LYS 12 2HG LYS 12 3.350 3.385 1.370
68 HG3 LYS 12 1HG LYS 12 4.371 2.789 2.674
69 HD2 LYS 12 2HD LYS 12 4.150 0.529 1.802
70 HD3 LYS 12 1HD LYS 12 3.118 1.127 0.501
71 HE2 LYS 12 2HE LYS 12 4.920 2.570 -0.273
72 HE3 LYS 12 1HE LYS 12 5.966 1.985 1.017
73 HZ1 LYS 12 3HZ LYS 12 6.413 0.899 -1.086
74 HZ2 LYS 12 1HZ LYS 12 4.822 0.361 -1.170
75 HZ3 LYS 12 2HZ LYS 12 5.835 -0.237 0.032
76 H GLN 13 H GLN 13 -0.205 3.978 2.361
77 HA GLN 13 HA GLN 13 0.934 5.863 0.663
78 HB2 GLN 13 2HB GLN 13 -1.986 5.406 1.271
79 HB3 GLN 13 1HB GLN 13 -1.344 6.268 -0.121
80 HG2 GLN 13 2HG GLN 13 -1.078 3.328 0.495
81 HG3 GLN 13 1HG GLN 13 -1.952 4.075 -0.840
82 HE21 GLN 13 1HE2 GLN 13 1.121 3.219 0.418
83 HE22 GLN 13 2HE2 GLN 13 2.074 3.494 -0.982
84 H CYS 14 H CYS 14 -0.642 6.159 3.767
85 HA CYS 14 HA CYS 14 -0.674 8.994 3.535
86 HB2 CYS 14 2HB CYS 14 -1.264 7.155 5.833
87 HB3 CYS 14 1HB CYS 14 -1.215 8.898 6.056
88 H GLU 15 H GLU 15 1.618 6.655 4.761
89 HA GLU 15 HA GLU 15 3.266 8.633 5.990
90 HB2 GLU 15 2HB GLU 15 3.989 5.867 5.002
91 HB3 GLU 15 1HB GLU 15 5.063 6.902 5.930
92 HG2 GLU 15 2HG GLU 15 2.469 5.683 6.832
93 HG3 GLU 15 1HG GLU 15 4.093 5.302 7.404
94 H GLU 16 H GLU 16 3.078 7.245 2.779
95 HA GLU 16 HA GLU 16 5.344 8.652 1.753
96 HB2 GLU 16 2HB GLU 16 2.991 7.405 0.321
97 HB3 GLU 16 1HB GLU 16 4.374 8.104 -0.495
98 HG2 GLU 16 2HG GLU 16 5.805 6.421 0.667
99 HG3 GLU 16 1HG GLU 16 4.325 5.672 1.272
100 H GLY 17 H GLY 17 2.070 9.417 2.336
101 HA2 GLY 17 2HA GLY 17 1.104 11.537 2.402
102 HA3 GLY 17 1HA GLY 17 2.562 12.180 1.652
103 H ILE 18 H ILE 18 0.291 9.676 0.641
104 HA ILE 18 HA ILE 18 0.043 11.139 -1.876
105 HB ILE 18 HB ILE 18 -0.727 8.245 -1.362
106 HG12 ILE 18 2HG1 ILE 18 1.765 9.365 -2.673
107 HG13 ILE 18 1HG1 ILE 18 1.703 8.632 -1.076
108 HG21 ILE 18 1HG2 ILE 18 -0.714 8.108 -3.841
109 HG22 ILE 18 2HG2 ILE 18 -0.382 9.841 -3.918
110 HG23 ILE 18 3HG2 ILE 18 -1.902 9.260 -3.233
111 HD11 ILE 18 3HD1 ILE 18 0.997 6.516 -2.118
112 HD12 ILE 18 1HD1 ILE 18 2.575 7.066 -2.681
113 HD13 ILE 18 2HD1 ILE 18 1.153 7.276 -3.701
114 H GLY 19 H GLY 19 -2.285 8.846 -0.440
115 HA2 GLY 19 2HA GLY 19 -4.511 9.161 0.148
116 HA3 GLY 19 1HA GLY 19 -4.144 10.876 0.306
117 H HIS 20 H HIS 20 -3.639 9.032 -2.586
118 HA HIS 20 HA HIS 20 -5.754 10.508 -3.971
119 HB2 HIS 20 2HB HIS 20 -3.536 11.553 -4.346
120 HB3 HIS 20 1HB HIS 20 -2.886 9.997 -4.812
121 HD1 HIS 20 1HD HIS 20 -4.819 12.898 -6.118
122 HD2 HIS 20 2HD HIS 20 -3.493 9.179 -7.380
123 HE1 HIS 20 1HE HIS 20 -4.954 12.935 -8.638
124 H LYS 21 H LYS 21 -7.093 9.063 -4.874
125 HA LYS 21 HA LYS 21 -7.944 7.217 -5.934
126 HB2 LYS 21 2HB LYS 21 -5.144 6.117 -5.901
127 HB3 LYS 21 1HB LYS 21 -6.501 5.322 -6.670
128 HG2 LYS 21 2HG LYS 21 -6.663 7.133 -8.290
129 HG3 LYS 21 1HG LYS 21 -5.348 7.990 -7.479
130 HD2 LYS 21 2HD LYS 21 -5.142 5.267 -8.781
131 HD3 LYS 21 1HD LYS 21 -4.541 6.779 -9.464
132 HE2 LYS 21 2HE LYS 21 -2.992 7.026 -7.574
133 HE3 LYS 21 1HE LYS 21 -3.600 5.540 -6.860
134 HZ1 LYS 21 3HZ LYS 21 -2.170 5.763 -9.442
135 HZ2 LYS 21 1HZ LYS 21 -2.797 4.334 -8.779
136 HZ3 LYS 21 2HZ LYS 21 -1.575 5.156 -7.997
137 H TYR 22 H TYR 22 -7.077 7.608 -3.022
138 HA TYR 22 HA TYR 22 -7.714 4.874 -2.191
139 HB2 TYR 22 2HB TYR 22 -5.963 6.747 -0.570
140 HB3 TYR 22 1HB TYR 22 -6.205 5.021 -0.315
141 HD1 TYR 22 1HD TYR 22 -5.749 3.874 -2.941
142 HD2 TYR 22 2HD TYR 22 -3.689 7.079 -1.042
143 HE1 TYR 22 1HE TYR 22 -3.819 3.469 -4.358
144 HE2 TYR 22 2HE TYR 22 -1.770 6.687 -2.480
145 HH TYR 22 HH TYR 22 -0.785 4.895 -3.761
146 HA PRO 23 HA PRO 23 -10.993 7.772 -0.891
147 HB2 PRO 23 2HB PRO 23 -13.008 5.952 -0.929
148 HB3 PRO 23 1HB PRO 23 -12.354 6.698 -2.392
149 HG2 PRO 23 2HG PRO 23 -11.739 4.016 -1.252
150 HG3 PRO 23 1HG PRO 23 -12.097 4.481 -2.923
151 HD2 PRO 23 2HD PRO 23 -9.589 4.094 -2.039
152 HD3 PRO 23 1HD PRO 23 -9.980 5.277 -3.304
153 H PHE 24 H PHE 24 -9.549 5.242 0.652
154 HA PHE 24 HA PHE 24 -11.113 5.610 3.094
155 HB2 PHE 24 2HB PHE 24 -9.947 3.379 3.754
156 HB3 PHE 24 1HB PHE 24 -11.293 3.330 2.624
157 HD1 PHE 24 1HD PHE 24 -10.882 2.991 0.259
158 HD2 PHE 24 2HD PHE 24 -7.733 2.741 3.081
159 HE1 PHE 24 1HE PHE 24 -9.534 1.905 -1.408
160 HE2 PHE 24 2HE PHE 24 -6.324 1.610 1.410
161 HZ PHE 24 HZ PHE 24 -7.212 1.178 -0.857
162 H CYS 25 H CYS 25 -8.498 6.873 1.768
163 HA CYS 25 HA CYS 25 -6.987 6.837 4.286
164 HB2 CYS 25 2HB CYS 25 -5.827 7.069 1.519
165 HB3 CYS 25 1HB CYS 25 -4.935 7.046 3.033
166 H HIS 26 H HIS 26 -7.501 8.775 5.156
167 HA HIS 26 HA HIS 26 -7.328 11.108 3.409
168 HB2 HIS 26 2HB HIS 26 -9.247 10.893 5.087
169 HB3 HIS 26 1HB HIS 26 -8.043 11.035 6.360
170 HD1 HIS 26 1HD HIS 26 -10.250 13.064 4.317
171 HD2 HIS 26 2HD HIS 26 -6.591 13.603 6.219
172 HE1 HIS 26 1HE HIS 26 -9.882 15.549 4.418
173 H CYS 27 H CYS 27 -5.251 11.529 3.094
174 HA CYS 27 HA CYS 27 -3.394 11.173 5.322
175 HB2 CYS 27 2HB CYS 27 -2.776 11.475 2.378
176 HB3 CYS 27 1HB CYS 27 -1.658 11.005 3.647
177 H ARG 28 H ARG 28 -1.513 12.765 5.195
178 HA ARG 28 HA ARG 28 -2.501 15.443 5.319
179 HB2 ARG 28 2HB ARG 28 0.291 14.314 5.607
180 HB3 ARG 28 1HB ARG 28 -0.179 15.963 5.986
181 HG2 ARG 28 2HG ARG 28 -1.565 15.229 7.789
182 HG3 ARG 28 1HG ARG 28 -1.343 13.541 7.341
183 HD2 ARG 28 2HD ARG 28 1.034 13.713 7.836
184 HD3 ARG 28 1HD ARG 28 0.835 15.415 8.260
185 HE ARG 28 HE ARG 28 -0.859 14.356 9.933
186 HH11 ARG 28 1HH1 ARG 28 2.378 13.095 9.140
187 HH12 ARG 28 2HH1 ARG 28 2.628 12.459 10.700
188 HH21 ARG 28 1HH2 ARG 28 -0.475 13.478 12.014
189 HH22 ARG 28 2HH2 ARG 28 1.003 12.676 12.362
190 HN1 NH2 29 1H ARG 28 -2.992 16.172 3.319
191 HN2 NH2 29 2H ARG 28 -1.883 16.290 1.993