Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
550463 | 2lkq RC | 18009 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 SER 1 H SER 1 1.807 0.001 0.856
2 HA SER 1 HA SER 1 1.456 0.388 -2.023
3 HB2 SER 1 2HB SER 1 3.000 1.915 -0.901
4 HB3 SER 1 3HB SER 1 3.940 0.550 -0.298
5 HG SER 1 HG SER 1 3.572 1.299 -3.011
6 H ARG 2 H ARG 2 2.938 -0.825 -3.481
7 HA ARG 2 HA ARG 2 2.711 -3.639 -2.943
8 HB2 ARG 2 2HB ARG 2 3.729 -3.876 -5.217
9 HB3 ARG 2 3HB ARG 2 2.265 -2.902 -5.179
10 HG2 ARG 2 2HG ARG 2 3.449 -0.906 -5.486
11 HG3 ARG 2 3HG ARG 2 4.990 -1.658 -5.069
12 HD2 ARG 2 2HD ARG 2 4.679 -1.218 -7.507
13 HD3 ARG 2 3HD ARG 2 5.016 -2.902 -7.106
14 HE ARG 2 HE ARG 2 2.229 -2.480 -7.216
15 HH11 ARG 2 1HH1 ARG 2 5.026 -2.717 -9.275
16 HH12 ARG 2 2HH1 ARG 2 4.133 -3.293 -10.643
17 HH21 ARG 2 1HH2 ARG 2 1.041 -3.238 -9.010
18 HH22 ARG 2 2HH2 ARG 2 1.866 -3.589 -10.491
19 H SER 3 H SER 3 4.227 -3.096 -0.975
20 HA SER 3 HA SER 3 7.045 -3.260 -1.743
21 HB2 SER 3 2HB SER 3 6.157 -3.200 1.112
22 HB3 SER 3 3HB SER 3 7.581 -2.477 0.365
23 HG SER 3 HG SER 3 6.452 -0.753 -0.155
24 H SER 4 H SER 4 5.130 -5.488 -2.082
25 HA SER 4 HA SER 4 6.256 -7.451 -0.206
26 HB2 SER 4 2HB SER 4 3.735 -7.217 -0.438
27 HB3 SER 4 3HB SER 4 3.912 -7.880 -2.062
28 HG SER 4 HG SER 4 4.872 -9.178 0.268
29 H LEU 5 H LEU 5 6.427 -6.360 -3.409
30 HA LEU 5 HA LEU 5 7.831 -8.824 -4.209
31 HB2 LEU 5 2HB LEU 5 6.416 -6.937 -6.077
32 HB3 LEU 5 3HB LEU 5 7.112 -8.509 -6.462
33 HG LEU 5 HG LEU 5 4.638 -7.968 -4.826
34 HD11 LEU 5 1HD1 LEU 5 3.454 -9.019 -6.598
35 HD12 LEU 5 2HD1 LEU 5 4.950 -9.490 -7.403
36 HD13 LEU 5 3HD1 LEU 5 4.491 -7.790 -7.322
37 HD21 LEU 5 3HD2 LEU 5 4.605 -10.612 -5.138
38 HD22 LEU 5 1HD2 LEU 5 5.349 -9.832 -3.742
39 HD23 LEU 5 2HD2 LEU 5 6.353 -10.371 -5.089
40 H ARG 6 H ARG 6 7.604 -5.321 -4.783
41 HA ARG 6 HA ARG 6 10.188 -5.183 -6.013
42 HB2 ARG 6 2HB ARG 6 8.047 -3.579 -6.132
43 HB3 ARG 6 3HB ARG 6 8.939 -2.743 -4.868
44 HG2 ARG 6 2HG ARG 6 10.618 -2.109 -6.276
45 HG3 ARG 6 3HG ARG 6 10.389 -3.492 -7.349
46 HD2 ARG 6 2HD ARG 6 8.076 -2.325 -7.811
47 HD3 ARG 6 3HD ARG 6 8.939 -0.891 -7.256
48 HE ARG 6 HE ARG 6 9.296 -2.270 -9.746
49 HH11 ARG 6 1HH1 ARG 6 10.823 -0.229 -7.375
50 HH12 ARG 6 2HH1 ARG 6 11.969 0.433 -8.493
51 HH21 ARG 6 1HH2 ARG 6 10.799 -1.404 -11.228
52 HH22 ARG 6 2HH2 ARG 6 11.954 -0.235 -10.684
53 H SER 7 H SER 7 9.266 -5.642 -2.879
54 HA SER 7 HA SER 7 11.759 -4.439 -1.868
55 HB2 SER 7 2HB SER 7 10.255 -3.103 -0.752
56 HB3 SER 7 3HB SER 7 8.989 -4.331 -0.766
57 HG SER 7 HG SER 7 11.032 -3.901 1.055
58 H ARG 8 H ARG 8 9.968 -7.229 -2.358
59 HA ARG 8 HA ARG 8 10.521 -8.800 -0.125
60 HB2 ARG 8 2HB ARG 8 9.035 -9.808 -1.574
61 HB3 ARG 8 3HB ARG 8 9.964 -9.370 -3.001
62 HG2 ARG 8 2HG ARG 8 11.199 -11.289 -1.114
63 HG3 ARG 8 3HG ARG 8 9.837 -11.855 -2.084
64 HD2 ARG 8 2HD ARG 8 11.917 -10.335 -3.523
65 HD3 ARG 8 3HD ARG 8 12.397 -11.919 -2.915
66 HE ARG 8 HE ARG 8 10.608 -11.371 -5.087
67 HH11 ARG 8 1HH1 ARG 8 11.458 -13.667 -2.612
68 HH12 ARG 8 2HH1 ARG 8 10.798 -15.025 -3.462
69 HH21 ARG 8 1HH2 ARG 8 9.736 -13.151 -6.216
70 HH22 ARG 8 2HH2 ARG 8 9.820 -14.730 -5.512
71 H TRP 9 H TRP 9 12.516 -7.987 -2.898
72 HA TRP 9 HA TRP 9 14.588 -9.861 -2.305
73 HB2 TRP 9 2HB TRP 9 15.085 -7.365 -3.883
74 HB3 TRP 9 3HB TRP 9 15.710 -8.991 -4.141
75 HD1 TRP 9 HD1 TRP 9 12.852 -6.711 -5.086
76 HE1 TRP 9 HE1 TRP 9 11.346 -7.898 -6.803
77 HE3 TRP 9 HE3 TRP 9 14.848 -11.409 -4.806
78 HZ2 TRP 9 HZ2 TRP 9 11.043 -10.483 -7.894
79 HZ3 TRP 9 HZ3 TRP 9 13.892 -13.183 -6.219
80 HH2 TRP 9 HH2 TRP 9 12.029 -12.727 -7.730
81 H GLY 10 H GLY 10 13.605 -7.104 -0.744
82 HA2 GLY 10 2HA GLY 10 16.114 -5.919 -0.093
83 HA3 GLY 10 3HA GLY 10 14.593 -5.654 0.745
84 H ARG 11 H ARG 11 13.893 -7.862 1.916
85 HA ARG 11 HA ARG 11 16.013 -8.327 3.838
86 HB2 ARG 11 2HB ARG 11 13.562 -7.886 4.415
87 HB3 ARG 11 3HB ARG 11 13.253 -9.534 3.884
88 HG2 ARG 11 2HG ARG 11 15.186 -10.094 5.575
89 HG3 ARG 11 3HG ARG 11 14.702 -8.552 6.285
90 HD2 ARG 11 2HD ARG 11 12.989 -10.989 5.839
91 HD3 ARG 11 3HD ARG 11 13.482 -10.293 7.382
92 HE ARG 11 HE ARG 11 11.275 -9.489 5.771
93 HH11 ARG 11 1HH1 ARG 11 13.691 -8.318 7.987
94 HH12 ARG 11 2HH1 ARG 11 12.737 -6.972 8.519
95 HH21 ARG 11 1HH2 ARG 11 10.010 -7.722 6.463
96 HH22 ARG 11 2HH2 ARG 11 10.644 -6.635 7.653
97 H PHE 12 H PHE 12 14.250 -10.089 1.369
98 HA PHE 12 HA PHE 12 14.983 -12.696 2.017
99 HB2 PHE 12 2HB PHE 12 13.326 -12.008 0.258
100 HB3 PHE 12 3HB PHE 12 14.685 -11.597 -0.783
101 HD1 PHE 12 HD2 PHE 12 14.135 -14.498 1.486
102 HD2 PHE 12 HD1 PHE 12 14.710 -13.130 -2.503
103 HE1 PHE 12 HE2 PHE 12 14.234 -16.829 0.705
104 HE2 PHE 12 HE1 PHE 12 14.810 -15.459 -3.291
105 HZ PHE 12 HZ PHE 12 14.573 -17.312 -1.686
106 H LEU 13 H LEU 13 16.636 -10.364 -0.099
107 HA LEU 13 HA LEU 13 18.752 -11.945 -0.924
108 HB2 LEU 13 2HB LEU 13 18.417 -9.013 -0.485
109 HB3 LEU 13 3HB LEU 13 20.013 -9.649 -0.877
110 HG LEU 13 HG LEU 13 18.310 -8.758 -2.725
111 HD11 LEU 13 1HD1 LEU 13 19.554 -10.959 -3.959
112 HD12 LEU 13 2HD1 LEU 13 20.623 -10.433 -2.659
113 HD13 LEU 13 3HD1 LEU 13 20.113 -9.287 -3.898
114 HD21 LEU 13 3HD2 LEU 13 17.120 -10.552 -3.792
115 HD22 LEU 13 1HD2 LEU 13 16.608 -10.457 -2.107
116 HD23 LEU 13 2HD2 LEU 13 17.734 -11.716 -2.617
117 H LEU 14 H LEU 14 18.304 -10.213 2.100
118 HA LEU 14 HA LEU 14 20.900 -10.375 3.112
119 HB2 LEU 14 2HB LEU 14 18.319 -9.663 4.065
120 HB3 LEU 14 3HB LEU 14 19.056 -10.750 5.241
121 HG LEU 14 HG LEU 14 21.012 -8.831 4.549
122 HD11 LEU 14 1HD1 LEU 14 18.450 -7.500 5.393
123 HD12 LEU 14 2HD1 LEU 14 19.026 -7.520 3.727
124 HD13 LEU 14 3HD1 LEU 14 19.989 -6.741 4.982
125 HD21 LEU 14 3HD2 LEU 14 19.331 -8.929 7.044
126 HD22 LEU 14 1HD2 LEU 14 20.994 -8.366 6.874
127 HD23 LEU 14 2HD2 LEU 14 20.622 -10.081 6.700
128 H GLN 15 H GLN 15 18.476 -12.805 2.725
129 HA GLN 15 HA GLN 15 19.694 -14.654 4.585
130 HB2 GLN 15 2HB GLN 15 17.542 -15.170 2.527
131 HB3 GLN 15 3HB GLN 15 17.971 -16.210 3.878
132 HG2 GLN 15 2HG GLN 15 17.307 -14.333 5.404
133 HG3 GLN 15 3HG GLN 15 16.672 -13.503 3.985
134 HE21 GLN 15 1HE2 GLN 15 15.127 -14.227 6.203
135 HE22 GLN 15 2HE2 GLN 15 13.970 -15.408 5.700
136 H ARG 16 H ARG 16 20.417 -13.620 1.518
137 HA ARG 16 HA ARG 16 21.765 -16.161 0.873
138 HB2 ARG 16 2HB ARG 16 21.308 -14.261 -1.335
139 HB3 ARG 16 3HB ARG 16 21.165 -16.013 -1.306
140 HG2 ARG 16 2HG ARG 16 19.030 -15.560 0.096
141 HG3 ARG 16 3HG ARG 16 19.142 -13.939 -0.591
142 HD2 ARG 16 2HD ARG 16 17.691 -15.350 -1.941
143 HD3 ARG 16 3HD ARG 16 19.137 -14.896 -2.843
144 HE ARG 16 HE ARG 16 19.501 -17.389 -1.546
145 HH11 ARG 16 1HH1 ARG 16 17.906 -15.902 -4.260
146 HH12 ARG 16 2HH1 ARG 16 17.898 -17.348 -5.214
147 HH21 ARG 16 1HH2 ARG 16 19.497 -19.299 -2.793
148 HH22 ARG 16 2HH2 ARG 16 18.802 -19.280 -4.378
149 H GLY 17 H GLY 17 22.119 -12.876 1.618
150 HA2 GLY 17 2HA GLY 17 24.938 -12.968 0.736
151 HA3 GLY 17 3HA GLY 17 23.974 -11.503 0.628
152 H SER 18 H SER 18 22.737 -12.466 3.302
153 HA SER 18 HA SER 18 24.921 -11.440 4.996
154 HB2 SER 18 2HB SER 18 22.571 -10.170 4.563
155 HB3 SER 18 3HB SER 18 22.135 -11.156 5.959
156 HG SER 18 HG SER 18 24.317 -10.247 6.747
157 H TRP 19 H TRP 19 22.838 -14.030 4.377
158 HA TRP 19 HA TRP 19 23.399 -15.180 7.032
159 HB2 TRP 19 2HB TRP 19 20.978 -14.766 6.583
160 HB3 TRP 19 3HB TRP 19 21.081 -15.869 5.214
161 HD1 TRP 19 HD1 TRP 19 21.464 -18.495 5.790
162 HE1 TRP 19 HE1 TRP 19 20.866 -19.855 7.892
163 HE3 TRP 19 HE3 TRP 19 20.785 -14.644 9.084
164 HZ2 TRP 19 HZ2 TRP 19 20.196 -19.361 10.589
165 HZ3 TRP 19 HZ3 TRP 19 20.166 -15.174 11.406
166 HH2 TRP 19 HH2 TRP 19 19.878 -17.484 12.141
167 H THR 20 H THR 20 25.375 -16.071 6.362
168 HA THR 20 HA THR 20 25.260 -18.084 4.230
169 HB THR 20 HB THR 20 27.081 -16.491 4.008
170 HG1 THR 20 HG1 THR 20 27.366 -18.887 3.646
171 HG21 THR 20 3HG2 THR 20 28.904 -17.054 5.986
172 HG22 THR 20 1HG2 THR 20 27.378 -17.010 6.868
173 HG23 THR 20 2HG2 THR 20 27.884 -15.617 5.912
174 H GLY 21 H GLY 21 23.885 -18.964 6.341
175 HA2 GLY 21 2HA GLY 21 25.215 -20.198 8.441
176 HA3 GLY 21 3HA GLY 21 23.705 -20.770 7.747
177 HA PRO 22 HA PRO 22 27.188 -23.857 7.045
178 HB2 PRO 22 2HB PRO 22 26.083 -25.893 8.460
179 HB3 PRO 22 3HB PRO 22 27.155 -24.690 9.186
180 HG2 PRO 22 2HG PRO 22 24.165 -24.832 9.224
181 HG3 PRO 22 3HG PRO 22 25.283 -24.437 10.542
182 HD2 PRO 22 2HD PRO 22 23.933 -22.540 9.159
183 HD3 PRO 22 3HD PRO 22 25.553 -22.262 9.829
184 H ARG 23 H ARG 23 26.241 -23.663 4.881
185 HA ARG 23 HA ARG 23 25.060 -26.099 4.031
186 HB2 ARG 23 2HB ARG 23 23.090 -24.761 4.984
187 HB3 ARG 23 3HB ARG 23 23.297 -23.697 3.600
188 HG2 ARG 23 2HG ARG 23 21.594 -25.237 3.041
189 HG3 ARG 23 3HG ARG 23 23.031 -25.714 2.133
190 HD2 ARG 23 2HD ARG 23 23.499 -27.476 3.701
191 HD3 ARG 23 3HD ARG 23 22.195 -26.937 4.758
192 HE ARG 23 HE ARG 23 20.689 -28.014 3.403
193 HH11 ARG 23 1HH1 ARG 23 23.760 -27.790 1.777
194 HH12 ARG 23 2HH1 ARG 23 23.296 -28.839 0.478
195 HH21 ARG 23 1HH2 ARG 23 20.067 -29.396 1.698
196 HH22 ARG 23 2HH2 ARG 23 21.195 -29.751 0.434
197 H CYS 24 H CYS 24 25.052 -26.328 1.761
198 HA CYS 24 HA CYS 24 26.909 -24.561 0.427
199 HB2 CYS 24 2HB CYS 24 25.628 -27.190 -0.237
200 HB3 CYS 24 3HB CYS 24 26.394 -26.247 -1.510
201 HG CYS 24 HG CYS 24 28.558 -27.599 -1.082
Start of MODEL 2
1 H1 SER 1 H SER 1 5.531 -2.090 -5.616
2 HA SER 1 HA SER 1 4.219 0.427 -6.393
3 HB2 SER 1 2HB SER 1 3.127 -1.756 -7.272
4 HB3 SER 1 3HB SER 1 2.623 -1.996 -5.599
5 HG SER 1 HG SER 1 1.331 -0.638 -7.326
6 H ARG 2 H ARG 2 3.974 -2.167 -3.952
7 HA ARG 2 HA ARG 2 3.728 -0.070 -1.897
8 HB2 ARG 2 2HB ARG 2 2.614 -2.874 -1.990
9 HB3 ARG 2 3HB ARG 2 2.630 -1.896 -0.529
10 HG2 ARG 2 2HG ARG 2 0.516 -1.501 -1.320
11 HG3 ARG 2 3HG ARG 2 1.404 -0.147 -2.020
12 HD2 ARG 2 2HD ARG 2 1.441 -1.118 -4.145
13 HD3 ARG 2 3HD ARG 2 1.063 -2.721 -3.517
14 HE ARG 2 HE ARG 2 -0.795 -0.715 -4.292
15 HH11 ARG 2 1HH1 ARG 2 -0.284 -3.291 -2.006
16 HH12 ARG 2 2HH1 ARG 2 -1.973 -3.597 -1.775
17 HH21 ARG 2 1HH2 ARG 2 -3.022 -1.109 -3.997
18 HH22 ARG 2 2HH2 ARG 2 -3.530 -2.356 -2.908
19 H SER 3 H SER 3 6.216 -1.128 -2.976
20 HA SER 3 HA SER 3 8.260 -1.821 -2.257
21 HB2 SER 3 2HB SER 3 7.889 -0.179 -0.471
22 HB3 SER 3 3HB SER 3 7.040 -1.396 0.482
23 HG SER 3 HG SER 3 9.172 -1.276 1.171
24 H SER 4 H SER 4 5.910 -3.720 -2.513
25 HA SER 4 HA SER 4 6.793 -5.887 -0.750
26 HB2 SER 4 2HB SER 4 4.381 -5.678 -2.569
27 HB3 SER 4 3HB SER 4 4.751 -7.060 -1.538
28 HG SER 4 HG SER 4 3.494 -5.913 -0.241
29 H LEU 5 H LEU 5 7.160 -4.752 -3.924
30 HA LEU 5 HA LEU 5 8.190 -7.376 -4.785
31 HB2 LEU 5 2HB LEU 5 7.800 -6.341 -7.136
32 HB3 LEU 5 3HB LEU 5 6.454 -7.053 -6.250
33 HG LEU 5 HG LEU 5 6.750 -4.199 -5.746
34 HD11 LEU 5 1HD1 LEU 5 7.245 -3.581 -7.838
35 HD12 LEU 5 2HD1 LEU 5 5.575 -4.018 -8.198
36 HD13 LEU 5 3HD1 LEU 5 6.874 -5.172 -8.501
37 HD21 LEU 5 3HD2 LEU 5 4.381 -5.493 -7.006
38 HD22 LEU 5 1HD2 LEU 5 4.459 -4.244 -5.763
39 HD23 LEU 5 2HD2 LEU 5 4.810 -5.923 -5.349
40 H ARG 6 H ARG 6 8.574 -3.863 -5.154
41 HA ARG 6 HA ARG 6 11.172 -4.099 -6.343
42 HB2 ARG 6 2HB ARG 6 9.538 -1.792 -5.316
43 HB3 ARG 6 3HB ARG 6 11.206 -1.570 -5.827
44 HG2 ARG 6 2HG ARG 6 10.697 -2.243 -8.052
45 HG3 ARG 6 3HG ARG 6 9.078 -2.765 -7.582
46 HD2 ARG 6 2HD ARG 6 8.983 -0.210 -6.767
47 HD3 ARG 6 3HD ARG 6 10.131 -0.052 -8.096
48 HE ARG 6 HE ARG 6 8.110 -1.484 -9.187
49 HH11 ARG 6 1HH1 ARG 6 8.245 1.518 -7.428
50 HH12 ARG 6 2HH1 ARG 6 6.868 2.200 -8.229
51 HH21 ARG 6 1HH2 ARG 6 6.296 -0.597 -10.248
52 HH22 ARG 6 2HH2 ARG 6 5.760 0.996 -9.832
53 H SER 7 H SER 7 10.109 -4.569 -3.256
54 HA SER 7 HA SER 7 12.742 -3.862 -2.138
55 HB2 SER 7 2HB SER 7 10.227 -2.857 -1.341
56 HB3 SER 7 3HB SER 7 10.724 -3.992 -0.086
57 HG SER 7 HG SER 7 11.975 -1.632 -0.954
58 H ARG 8 H ARG 8 10.537 -6.284 -2.833
59 HA ARG 8 HA ARG 8 10.760 -8.052 -0.692
60 HB2 ARG 8 2HB ARG 8 9.175 -8.729 -2.218
61 HB3 ARG 8 3HB ARG 8 10.188 -8.342 -3.602
62 HG2 ARG 8 2HG ARG 8 11.068 -10.558 -1.844
63 HG3 ARG 8 3HG ARG 8 9.662 -10.834 -2.875
64 HD2 ARG 8 2HD ARG 8 11.994 -9.559 -4.160
65 HD3 ARG 8 3HD ARG 8 12.201 -11.240 -3.669
66 HE ARG 8 HE ARG 8 10.569 -10.251 -5.814
67 HH11 ARG 8 1HH1 ARG 8 11.026 -12.844 -3.537
68 HH12 ARG 8 2HH1 ARG 8 10.196 -14.016 -4.506
69 HH21 ARG 8 1HH2 ARG 8 9.475 -11.785 -7.100
70 HH22 ARG 8 2HH2 ARG 8 9.316 -13.413 -6.533
71 H TRP 9 H TRP 9 12.953 -7.390 -3.346
72 HA TRP 9 HA TRP 9 14.668 -9.622 -2.855
73 HB2 TRP 9 2HB TRP 9 15.624 -7.137 -4.226
74 HB3 TRP 9 3HB TRP 9 15.975 -8.823 -4.597
75 HD1 TRP 9 HD1 TRP 9 13.576 -6.027 -5.422
76 HE1 TRP 9 HE1 TRP 9 11.949 -6.813 -7.256
77 HE3 TRP 9 HE3 TRP 9 14.740 -11.005 -5.463
78 HZ2 TRP 9 HZ2 TRP 9 11.251 -9.223 -8.548
79 HZ3 TRP 9 HZ3 TRP 9 13.547 -12.483 -7.027
80 HH2 TRP 9 HH2 TRP 9 11.838 -11.609 -8.536
81 H GLY 10 H GLY 10 14.092 -6.868 -1.104
82 HA2 GLY 10 2HA GLY 10 16.754 -6.194 -0.304
83 HA3 GLY 10 3HA GLY 10 15.270 -5.685 0.487
84 H ARG 11 H ARG 11 14.113 -7.884 1.398
85 HA ARG 11 HA ARG 11 15.994 -8.800 3.417
86 HB2 ARG 11 2HB ARG 11 13.607 -7.967 3.874
87 HB3 ARG 11 3HB ARG 11 13.077 -9.524 3.252
88 HG2 ARG 11 2HG ARG 11 14.783 -10.455 5.014
89 HG3 ARG 11 3HG ARG 11 14.527 -8.879 5.766
90 HD2 ARG 11 2HD ARG 11 12.178 -9.270 5.949
91 HD3 ARG 11 3HD ARG 11 12.290 -10.732 4.970
92 HE ARG 11 HE ARG 11 12.847 -10.479 7.775
93 HH11 ARG 11 1HH1 ARG 11 13.514 -12.302 4.885
94 HH12 ARG 11 2HH1 ARG 11 13.949 -13.745 5.739
95 HH21 ARG 11 1HH2 ARG 11 13.417 -12.372 8.911
96 HH22 ARG 11 2HH2 ARG 11 13.892 -13.784 8.029
97 H PHE 12 H PHE 12 14.200 -10.035 0.687
98 HA PHE 12 HA PHE 12 14.422 -12.783 1.213
99 HB2 PHE 12 2HB PHE 12 12.961 -11.744 -0.537
100 HB3 PHE 12 3HB PHE 12 14.403 -11.462 -1.507
101 HD1 PHE 12 HD2 PHE 12 13.268 -14.394 0.497
102 HD2 PHE 12 HD1 PHE 12 14.356 -12.866 -3.324
103 HE1 PHE 12 HE2 PHE 12 13.057 -16.651 -0.462
104 HE2 PHE 12 HE1 PHE 12 14.146 -15.120 -4.289
105 HZ PHE 12 HZ PHE 12 13.497 -17.016 -2.857
106 H LEU 13 H LEU 13 16.521 -10.608 -0.655
107 HA LEU 13 HA LEU 13 18.382 -12.444 -1.557
108 HB2 LEU 13 2HB LEU 13 18.510 -9.546 -0.866
109 HB3 LEU 13 3HB LEU 13 20.000 -10.403 -1.254
110 HG LEU 13 HG LEU 13 18.561 -9.093 -3.077
111 HD11 LEU 13 1HD1 LEU 13 20.280 -9.825 -4.265
112 HD12 LEU 13 2HD1 LEU 13 19.504 -11.400 -4.421
113 HD13 LEU 13 3HD1 LEU 13 20.590 -11.083 -3.069
114 HD21 LEU 13 3HD2 LEU 13 17.149 -10.564 -4.340
115 HD22 LEU 13 1HD2 LEU 13 16.580 -10.540 -2.671
116 HD23 LEU 13 2HD2 LEU 13 17.513 -11.914 -3.265
117 H LEU 14 H LEU 14 18.071 -10.953 1.604
118 HA LEU 14 HA LEU 14 20.561 -11.614 2.679
119 HB2 LEU 14 2HB LEU 14 17.898 -11.489 4.087
120 HB3 LEU 14 3HB LEU 14 19.478 -11.436 4.865
121 HG LEU 14 HG LEU 14 18.271 -9.339 3.065
122 HD11 LEU 14 1HD1 LEU 14 17.676 -9.692 5.616
123 HD12 LEU 14 2HD1 LEU 14 17.892 -8.083 4.926
124 HD13 LEU 14 3HD1 LEU 14 19.201 -8.834 5.839
125 HD21 LEU 14 3HD2 LEU 14 20.301 -8.044 3.524
126 HD22 LEU 14 1HD2 LEU 14 20.657 -9.525 2.634
127 HD23 LEU 14 2HD2 LEU 14 20.993 -9.433 4.363
128 H GLN 15 H GLN 15 17.790 -13.580 2.009
129 HA GLN 15 HA GLN 15 18.633 -15.765 3.697
130 HB2 GLN 15 2HB GLN 15 16.512 -15.697 1.544
131 HB3 GLN 15 3HB GLN 15 16.734 -16.968 2.739
132 HG2 GLN 15 2HG GLN 15 16.296 -15.263 4.511
133 HG3 GLN 15 3HG GLN 15 15.873 -14.130 3.228
134 HE21 GLN 15 1HE2 GLN 15 14.493 -15.858 5.475
135 HE22 GLN 15 2HE2 GLN 15 13.042 -16.369 4.688
136 H ARG 16 H ARG 16 19.656 -14.576 0.778
137 HA ARG 16 HA ARG 16 20.621 -17.226 -0.077
138 HB2 ARG 16 2HB ARG 16 20.566 -15.074 -2.094
139 HB3 ARG 16 3HB ARG 16 20.161 -16.777 -2.251
140 HG2 ARG 16 2HG ARG 16 18.054 -16.136 -0.877
141 HG3 ARG 16 3HG ARG 16 18.440 -14.495 -1.397
142 HD2 ARG 16 2HD ARG 16 16.983 -15.252 -3.044
143 HD3 ARG 16 3HD ARG 16 18.574 -15.505 -3.760
144 HE ARG 16 HE ARG 16 17.909 -17.859 -2.471
145 HH11 ARG 16 1HH1 ARG 16 16.653 -15.916 -5.072
146 HH12 ARG 16 2HH1 ARG 16 15.964 -17.261 -5.918
147 HH21 ARG 16 1HH2 ARG 16 17.007 -19.639 -3.576
148 HH22 ARG 16 2HH2 ARG 16 16.165 -19.378 -5.066
149 H GLY 17 H GLY 17 21.445 -14.128 1.012
150 HA2 GLY 17 2HA GLY 17 24.251 -14.570 0.194
151 HA3 GLY 17 3HA GLY 17 23.528 -12.969 0.244
152 H SER 18 H SER 18 22.052 -13.992 2.756
153 HA SER 18 HA SER 18 24.305 -13.552 4.605
154 HB2 SER 18 2HB SER 18 21.490 -12.871 5.364
155 HB3 SER 18 3HB SER 18 23.003 -12.160 5.925
156 HG SER 18 HG SER 18 23.203 -11.132 3.919
157 H TRP 19 H TRP 19 21.838 -15.658 3.646
158 HA TRP 19 HA TRP 19 22.082 -17.171 6.164
159 HB2 TRP 19 2HB TRP 19 19.787 -16.314 5.702
160 HB3 TRP 19 3HB TRP 19 19.774 -17.250 4.210
161 HD1 TRP 19 HD1 TRP 19 19.685 -19.951 4.466
162 HE1 TRP 19 HE1 TRP 19 18.775 -21.428 6.367
163 HE3 TRP 19 HE3 TRP 19 19.505 -16.458 8.195
164 HZ2 TRP 19 HZ2 TRP 19 18.073 -21.150 9.087
165 HZ3 TRP 19 HZ3 TRP 19 18.702 -17.145 10.417
166 HH2 TRP 19 HH2 TRP 19 18.000 -19.442 10.851
167 H THR 20 H THR 20 23.928 -18.286 5.435
168 HA THR 20 HA THR 20 23.584 -20.014 3.091
169 HB THR 20 HB THR 20 25.649 -18.707 3.142
170 HG1 THR 20 HG1 THR 20 26.788 -20.374 2.420
171 HG21 THR 20 3HG2 THR 20 25.675 -19.533 5.896
172 HG22 THR 20 1HG2 THR 20 26.658 -18.312 5.090
173 HG23 THR 20 2HG2 THR 20 27.183 -19.995 5.109
174 H GLY 21 H GLY 21 22.824 -20.202 6.214
175 HA2 GLY 21 2HA GLY 21 22.501 -21.913 7.710
176 HA3 GLY 21 3HA GLY 21 22.490 -22.960 6.298
177 HA PRO 22 HA PRO 22 26.163 -23.908 9.075
178 HB2 PRO 22 2HB PRO 22 25.484 -26.485 9.596
179 HB3 PRO 22 3HB PRO 22 24.942 -25.129 10.592
180 HG2 PRO 22 2HG PRO 22 23.479 -26.596 8.431
181 HG3 PRO 22 3HG PRO 22 22.889 -26.053 10.013
182 HD2 PRO 22 2HD PRO 22 22.376 -24.702 7.723
183 HD3 PRO 22 3HD PRO 22 22.568 -23.888 9.290
184 H ARG 23 H ARG 23 27.982 -24.669 8.171
185 HA ARG 23 HA ARG 23 28.068 -25.546 5.513
186 HB2 ARG 23 2HB ARG 23 30.083 -25.592 7.747
187 HB3 ARG 23 3HB ARG 23 30.463 -26.241 6.157
188 HG2 ARG 23 2HG ARG 23 31.270 -24.099 5.992
189 HG3 ARG 23 3HG ARG 23 29.651 -23.919 5.313
190 HD2 ARG 23 2HD ARG 23 28.819 -22.980 7.333
191 HD3 ARG 23 3HD ARG 23 30.289 -23.407 8.209
192 HE ARG 23 HE ARG 23 30.744 -21.633 5.996
193 HH11 ARG 23 1HH1 ARG 23 29.868 -21.842 9.359
194 HH12 ARG 23 2HH1 ARG 23 30.393 -20.234 9.730
195 HH21 ARG 23 1HH2 ARG 23 31.440 -19.514 6.473
196 HH22 ARG 23 2HH2 ARG 23 31.287 -18.910 8.088
197 H CYS 24 H CYS 24 28.284 -27.536 4.565
198 HA CYS 24 HA CYS 24 27.262 -29.775 6.044
199 HB2 CYS 24 2HB CYS 24 26.832 -29.187 3.569
200 HB3 CYS 24 3HB CYS 24 28.403 -29.916 3.263
201 HG CYS 24 HG CYS 24 25.585 -31.402 3.303
Start of MODEL 3
1 H1 SER 1 H SER 1 3.707 0.823 -5.650
2 HA SER 1 HA SER 1 2.752 1.524 -2.953
3 HB2 SER 1 2HB SER 1 1.123 2.093 -4.672
4 HB3 SER 1 3HB SER 1 1.205 0.458 -5.328
5 HG SER 1 HG SER 1 -0.206 1.413 -3.197
6 H ARG 2 H ARG 2 3.627 -1.064 -5.125
7 HA ARG 2 HA ARG 2 3.032 -3.051 -3.046
8 HB2 ARG 2 2HB ARG 2 3.324 -3.177 -6.016
9 HB3 ARG 2 3HB ARG 2 3.699 -4.612 -5.072
10 HG2 ARG 2 2HG ARG 2 1.094 -3.139 -4.818
11 HG3 ARG 2 3HG ARG 2 1.352 -4.443 -5.979
12 HD2 ARG 2 2HD ARG 2 1.618 -6.042 -4.309
13 HD3 ARG 2 3HD ARG 2 1.980 -4.834 -3.078
14 HE ARG 2 HE ARG 2 -0.683 -4.655 -4.156
15 HH11 ARG 2 1HH1 ARG 2 1.352 -6.117 -1.741
16 HH12 ARG 2 2HH1 ARG 2 0.045 -6.451 -0.654
17 HH21 ARG 2 1HH2 ARG 2 -2.413 -5.089 -2.734
18 HH22 ARG 2 2HH2 ARG 2 -2.096 -5.867 -1.220
19 H SER 3 H SER 3 4.796 -2.720 -1.694
20 HA SER 3 HA SER 3 7.470 -3.060 -2.840
21 HB2 SER 3 2HB SER 3 6.974 -2.511 0.066
22 HB3 SER 3 3HB SER 3 8.331 -2.017 -0.947
23 HG SER 3 HG SER 3 7.267 -0.197 -1.007
24 H SER 4 H SER 4 5.467 -5.241 -2.482
25 HA SER 4 HA SER 4 6.747 -6.908 -0.451
26 HB2 SER 4 2HB SER 4 4.283 -7.384 -2.145
27 HB3 SER 4 3HB SER 4 4.891 -8.494 -0.918
28 HG SER 4 HG SER 4 3.265 -7.162 -0.064
29 H LEU 5 H LEU 5 6.856 -6.323 -3.788
30 HA LEU 5 HA LEU 5 8.257 -8.877 -4.230
31 HB2 LEU 5 2HB LEU 5 7.625 -8.604 -6.632
32 HB3 LEU 5 3HB LEU 5 6.282 -8.924 -5.537
33 HG LEU 5 HG LEU 5 6.246 -6.207 -5.639
34 HD11 LEU 5 1HD1 LEU 5 8.043 -6.726 -7.578
35 HD12 LEU 5 2HD1 LEU 5 6.955 -5.338 -7.590
36 HD13 LEU 5 3HD1 LEU 5 6.546 -6.787 -8.509
37 HD21 LEU 5 3HD2 LEU 5 4.210 -7.203 -5.898
38 HD22 LEU 5 1HD2 LEU 5 4.809 -8.381 -7.066
39 HD23 LEU 5 2HD2 LEU 5 4.508 -6.717 -7.568
40 H ARG 6 H ARG 6 8.075 -5.472 -5.228
41 HA ARG 6 HA ARG 6 10.643 -5.528 -6.502
42 HB2 ARG 6 2HB ARG 6 8.484 -3.586 -6.100
43 HB3 ARG 6 3HB ARG 6 10.091 -2.872 -6.063
44 HG2 ARG 6 2HG ARG 6 9.082 -4.635 -8.283
45 HG3 ARG 6 3HG ARG 6 9.015 -2.871 -8.302
46 HD2 ARG 6 2HD ARG 6 11.456 -2.788 -8.076
47 HD3 ARG 6 3HD ARG 6 11.511 -4.550 -8.080
48 HE ARG 6 HE ARG 6 10.238 -3.982 -10.390
49 HH11 ARG 6 1HH1 ARG 6 13.210 -2.848 -8.975
50 HH12 ARG 6 2HH1 ARG 6 13.983 -2.571 -10.501
51 HH21 ARG 6 1HH2 ARG 6 11.245 -3.621 -12.405
52 HH22 ARG 6 2HH2 ARG 6 12.864 -3.010 -12.451
53 H SER 7 H SER 7 9.759 -5.593 -3.327
54 HA SER 7 HA SER 7 12.277 -4.306 -2.497
55 HB2 SER 7 2HB SER 7 9.655 -3.569 -1.745
56 HB3 SER 7 3HB SER 7 10.369 -4.363 -0.342
57 HG SER 7 HG SER 7 11.243 -2.465 -0.055
58 H ARG 8 H ARG 8 10.451 -7.114 -2.627
59 HA ARG 8 HA ARG 8 11.019 -8.412 -0.228
60 HB2 ARG 8 2HB ARG 8 9.503 -9.570 -1.523
61 HB3 ARG 8 3HB ARG 8 10.413 -9.315 -3.006
62 HG2 ARG 8 2HG ARG 8 11.659 -11.011 -0.923
63 HG3 ARG 8 3HG ARG 8 10.278 -11.672 -1.800
64 HD2 ARG 8 2HD ARG 8 12.349 -10.356 -3.438
65 HD3 ARG 8 3HD ARG 8 12.826 -11.860 -2.652
66 HE ARG 8 HE ARG 8 11.017 -11.561 -4.853
67 HH11 ARG 8 1HH1 ARG 8 11.855 -13.544 -2.117
68 HH12 ARG 8 2HH1 ARG 8 11.165 -14.986 -2.786
69 HH21 ARG 8 1HH2 ARG 8 10.105 -13.452 -5.744
70 HH22 ARG 8 2HH2 ARG 8 10.171 -14.933 -4.849
71 H TRP 9 H TRP 9 12.983 -7.957 -3.102
72 HA TRP 9 HA TRP 9 15.044 -9.773 -2.317
73 HB2 TRP 9 2HB TRP 9 15.542 -7.490 -4.190
74 HB3 TRP 9 3HB TRP 9 16.148 -9.143 -4.258
75 HD1 TRP 9 HD1 TRP 9 13.299 -6.962 -5.435
76 HE1 TRP 9 HE1 TRP 9 11.757 -8.331 -6.976
77 HE3 TRP 9 HE3 TRP 9 15.255 -11.614 -4.616
78 HZ2 TRP 9 HZ2 TRP 9 11.415 -11.026 -7.743
79 HZ3 TRP 9 HZ3 TRP 9 14.263 -13.534 -5.791
80 HH2 TRP 9 HH2 TRP 9 12.383 -13.245 -7.322
81 H GLY 10 H GLY 10 14.110 -6.851 -1.070
82 HA2 GLY 10 2HA GLY 10 16.655 -5.640 -0.597
83 HA3 GLY 10 3HA GLY 10 15.142 -5.226 0.196
84 H ARG 11 H ARG 11 14.430 -7.467 1.504
85 HA ARG 11 HA ARG 11 16.537 -7.675 3.516
86 HB2 ARG 11 2HB ARG 11 14.100 -7.067 4.040
87 HB3 ARG 11 3HB ARG 11 13.740 -8.764 3.753
88 HG2 ARG 11 2HG ARG 11 14.985 -9.464 5.599
89 HG3 ARG 11 3HG ARG 11 15.844 -7.926 5.714
90 HD2 ARG 11 2HD ARG 11 14.316 -7.795 7.454
91 HD3 ARG 11 3HD ARG 11 13.507 -6.920 6.155
92 HE ARG 11 HE ARG 11 11.860 -8.493 6.210
93 HH11 ARG 11 1HH1 ARG 11 14.733 -9.851 7.632
94 HH12 ARG 11 2HH1 ARG 11 13.959 -11.329 8.101
95 HH21 ARG 11 1HH2 ARG 11 10.831 -10.434 6.822
96 HH22 ARG 11 2HH2 ARG 11 11.740 -11.660 7.639
97 H PHE 12 H PHE 12 14.567 -9.690 1.397
98 HA PHE 12 HA PHE 12 15.201 -12.210 2.315
99 HB2 PHE 12 2HB PHE 12 13.594 -11.714 0.483
100 HB3 PHE 12 3HB PHE 12 14.955 -11.399 -0.588
101 HD1 PHE 12 HD2 PHE 12 14.212 -14.091 1.888
102 HD2 PHE 12 HD1 PHE 12 15.155 -13.075 -2.137
103 HE1 PHE 12 HE2 PHE 12 14.302 -16.480 1.309
104 HE2 PHE 12 HE1 PHE 12 15.246 -15.464 -2.722
105 HZ PHE 12 HZ PHE 12 14.820 -17.170 -0.997
106 H LEU 13 H LEU 13 17.074 -10.123 0.161
107 HA LEU 13 HA LEU 13 19.070 -11.871 -0.610
108 HB2 LEU 13 2HB LEU 13 18.952 -8.929 -0.169
109 HB3 LEU 13 3HB LEU 13 20.521 -9.676 -0.461
110 HG LEU 13 HG LEU 13 18.999 -8.671 -2.410
111 HD11 LEU 13 1HD1 LEU 13 21.041 -9.281 -3.155
112 HD12 LEU 13 2HD1 LEU 13 20.143 -10.653 -3.802
113 HD13 LEU 13 3HD1 LEU 13 21.025 -10.814 -2.284
114 HD21 LEU 13 3HD2 LEU 13 18.249 -11.589 -2.397
115 HD22 LEU 13 1HD2 LEU 13 17.742 -10.350 -3.546
116 HD23 LEU 13 2HD2 LEU 13 17.170 -10.293 -1.878
117 H LEU 14 H LEU 14 18.598 -10.262 2.454
118 HA LEU 14 HA LEU 14 21.145 -10.560 3.560
119 HB2 LEU 14 2HB LEU 14 20.215 -9.852 5.490
120 HB3 LEU 14 3HB LEU 14 18.884 -9.439 4.410
121 HG LEU 14 HG LEU 14 18.067 -11.867 5.066
122 HD11 LEU 14 1HD1 LEU 14 20.303 -11.879 6.541
123 HD12 LEU 14 2HD1 LEU 14 18.842 -12.759 6.990
124 HD13 LEU 14 3HD1 LEU 14 19.182 -11.187 7.713
125 HD21 LEU 14 3HD2 LEU 14 16.437 -10.751 6.110
126 HD22 LEU 14 1HD2 LEU 14 17.352 -9.296 5.715
127 HD23 LEU 14 2HD2 LEU 14 17.548 -10.059 7.293
128 H GLN 15 H GLN 15 18.619 -12.873 3.011
129 HA GLN 15 HA GLN 15 19.736 -14.860 4.784
130 HB2 GLN 15 2HB GLN 15 17.593 -15.151 2.673
131 HB3 GLN 15 3HB GLN 15 17.976 -16.320 3.929
132 HG2 GLN 15 2HG GLN 15 17.389 -14.528 5.604
133 HG3 GLN 15 3HG GLN 15 16.748 -13.600 4.249
134 HE21 GLN 15 1HE2 GLN 15 14.733 -13.730 5.429
135 HE22 GLN 15 2HE2 GLN 15 13.741 -15.134 5.260
136 H ARG 16 H ARG 16 20.579 -13.700 1.801
137 HA ARG 16 HA ARG 16 21.826 -16.261 1.043
138 HB2 ARG 16 2HB ARG 16 21.512 -14.217 -1.061
139 HB3 ARG 16 3HB ARG 16 21.293 -15.960 -1.139
140 HG2 ARG 16 2HG ARG 16 19.144 -15.494 0.238
141 HG3 ARG 16 3HG ARG 16 19.343 -13.844 -0.354
142 HD2 ARG 16 2HD ARG 16 19.472 -16.131 -2.269
143 HD3 ARG 16 3HD ARG 16 17.905 -15.563 -1.696
144 HE ARG 16 HE ARG 16 19.337 -13.338 -2.555
145 HH11 ARG 16 1HH1 ARG 16 17.984 -16.251 -3.899
146 HH12 ARG 16 2HH1 ARG 16 17.710 -15.558 -5.463
147 HH21 ARG 16 1HH2 ARG 16 18.982 -12.414 -4.610
148 HH22 ARG 16 2HH2 ARG 16 18.279 -13.376 -5.867
149 H GLY 17 H GLY 17 22.312 -13.047 1.990
150 HA2 GLY 17 2HA GLY 17 25.141 -13.212 1.152
151 HA3 GLY 17 3HA GLY 17 24.246 -11.700 1.140
152 H SER 18 H SER 18 22.913 -12.757 3.715
153 HA SER 18 HA SER 18 25.120 -11.986 5.511
154 HB2 SER 18 2HB SER 18 22.255 -11.591 6.284
155 HB3 SER 18 3HB SER 18 23.684 -10.684 6.781
156 HG SER 18 HG SER 18 23.190 -9.335 5.263
157 H TRP 19 H TRP 19 22.899 -14.398 4.682
158 HA TRP 19 HA TRP 19 23.337 -15.758 7.260
159 HB2 TRP 19 2HB TRP 19 20.954 -15.175 6.790
160 HB3 TRP 19 3HB TRP 19 21.029 -16.191 5.354
161 HD1 TRP 19 HD1 TRP 19 21.234 -18.865 5.758
162 HE1 TRP 19 HE1 TRP 19 20.519 -20.323 7.755
163 HE3 TRP 19 HE3 TRP 19 20.731 -15.208 9.295
164 HZ2 TRP 19 HZ2 TRP 19 19.832 -19.970 10.470
165 HZ3 TRP 19 HZ3 TRP 19 20.041 -15.852 11.567
166 HH2 TRP 19 HH2 TRP 19 19.600 -18.184 12.140
167 H THR 20 H THR 20 25.288 -16.689 6.542
168 HA THR 20 HA THR 20 25.113 -18.543 4.279
169 HB THR 20 HB THR 20 27.029 -17.045 4.231
170 HG1 THR 20 HG1 THR 20 27.523 -19.017 3.369
171 HG21 THR 20 3HG2 THR 20 27.887 -16.386 6.188
172 HG22 THR 20 1HG2 THR 20 28.736 -17.930 6.227
173 HG23 THR 20 2HG2 THR 20 27.182 -17.757 7.043
174 H GLY 21 H GLY 21 23.631 -19.471 6.313
175 HA2 GLY 21 2HA GLY 21 24.831 -20.943 8.333
176 HA3 GLY 21 3HA GLY 21 23.303 -21.362 7.573
177 HA PRO 22 HA PRO 22 26.609 -24.603 6.697
178 HB2 PRO 22 2HB PRO 22 25.376 -26.658 7.973
179 HB3 PRO 22 3HB PRO 22 26.512 -25.570 8.779
180 HG2 PRO 22 2HG PRO 22 23.518 -25.538 8.799
181 HG3 PRO 22 3HG PRO 22 24.648 -25.296 10.143
182 HD2 PRO 22 2HD PRO 22 23.422 -23.237 8.883
183 HD3 PRO 22 3HD PRO 22 25.051 -23.099 9.575
184 H ARG 23 H ARG 23 25.728 -24.251 4.542
185 HA ARG 23 HA ARG 23 23.593 -26.163 3.856
186 HB2 ARG 23 2HB ARG 23 24.334 -23.515 2.622
187 HB3 ARG 23 3HB ARG 23 23.328 -24.690 1.786
188 HG2 ARG 23 2HG ARG 23 21.624 -24.528 3.430
189 HG3 ARG 23 3HG ARG 23 22.665 -23.593 4.504
190 HD2 ARG 23 2HD ARG 23 21.368 -21.934 3.575
191 HD3 ARG 23 3HD ARG 23 22.761 -21.932 2.494
192 HE ARG 23 HE ARG 23 20.829 -23.697 1.484
193 HH11 ARG 23 1HH1 ARG 23 21.340 -20.290 1.983
194 HH12 ARG 23 2HH1 ARG 23 20.337 -19.812 0.654
195 HH21 ARG 23 1HH2 ARG 23 19.506 -23.080 -0.269
196 HH22 ARG 23 2HH2 ARG 23 19.294 -21.399 -0.626
197 H CYS 24 H CYS 24 23.776 -26.752 1.398
198 HA CYS 24 HA CYS 24 24.882 -28.057 -0.105
199 HB2 CYS 24 2HB CYS 24 26.964 -25.924 0.391
200 HB3 CYS 24 3HB CYS 24 27.081 -27.121 -0.893
201 HG CYS 24 HG CYS 24 24.668 -24.712 -0.602
Start of MODEL 4
1 H1 SER 1 H SER 1 -0.658 -1.811 -0.048
2 HA SER 1 HA SER 1 0.885 -0.704 -2.234
3 HB2 SER 1 2HB SER 1 2.768 -0.773 -0.651
4 HB3 SER 1 3HB SER 1 1.359 0.004 0.071
5 HG SER 1 HG SER 1 2.688 -1.919 1.120
6 H ARG 2 H ARG 2 2.684 -1.733 -3.207
7 HA ARG 2 HA ARG 2 2.553 -4.676 -3.120
8 HB2 ARG 2 2HB ARG 2 3.431 -4.569 -5.478
9 HB3 ARG 2 3HB ARG 2 1.797 -3.955 -5.262
10 HG2 ARG 2 2HG ARG 2 3.961 -1.965 -5.053
11 HG3 ARG 2 3HG ARG 2 3.701 -2.675 -6.648
12 HD2 ARG 2 2HD ARG 2 1.303 -1.783 -5.156
13 HD3 ARG 2 3HD ARG 2 2.371 -0.527 -5.780
14 HE ARG 2 HE ARG 2 1.867 -2.376 -7.825
15 HH11 ARG 2 1HH1 ARG 2 0.209 0.046 -5.952
16 HH12 ARG 2 2HH1 ARG 2 -0.934 0.416 -7.201
17 HH21 ARG 2 1HH2 ARG 2 0.367 -1.898 -9.476
18 HH22 ARG 2 2HH2 ARG 2 -0.844 -0.692 -9.204
19 H SER 3 H SER 3 4.109 -4.402 -1.313
20 HA SER 3 HA SER 3 6.848 -3.989 -2.322
21 HB2 SER 3 2HB SER 3 6.199 -3.830 0.599
22 HB3 SER 3 3HB SER 3 7.492 -3.040 -0.304
23 HG SER 3 HG SER 3 6.136 -1.410 -0.095
24 H SER 4 H SER 4 5.128 -6.434 -2.272
25 HA SER 4 HA SER 4 6.550 -8.132 -0.366
26 HB2 SER 4 2HB SER 4 4.034 -8.270 -0.699
27 HB3 SER 4 3HB SER 4 4.369 -8.973 -2.281
28 HG SER 4 HG SER 4 5.429 -10.021 0.127
29 H LEU 5 H LEU 5 6.692 -7.189 -3.622
30 HA LEU 5 HA LEU 5 8.445 -9.475 -4.245
31 HB2 LEU 5 2HB LEU 5 7.861 -9.056 -6.632
32 HB3 LEU 5 3HB LEU 5 6.529 -9.639 -5.637
33 HG LEU 5 HG LEU 5 6.190 -6.929 -5.508
34 HD11 LEU 5 1HD1 LEU 5 6.455 -7.127 -8.389
35 HD12 LEU 5 2HD1 LEU 5 8.008 -7.247 -7.562
36 HD13 LEU 5 3HD1 LEU 5 6.971 -5.848 -7.289
37 HD21 LEU 5 3HD2 LEU 5 5.031 -8.846 -7.528
38 HD22 LEU 5 1HD2 LEU 5 4.335 -7.296 -7.056
39 HD23 LEU 5 2HD2 LEU 5 4.456 -8.604 -5.878
40 H ARG 6 H ARG 6 7.835 -6.036 -4.887
41 HA ARG 6 HA ARG 6 10.418 -5.613 -6.056
42 HB2 ARG 6 2HB ARG 6 8.040 -3.970 -5.433
43 HB3 ARG 6 3HB ARG 6 9.577 -3.116 -5.436
44 HG2 ARG 6 2HG ARG 6 8.663 -4.843 -7.718
45 HG3 ARG 6 3HG ARG 6 8.306 -3.119 -7.606
46 HD2 ARG 6 2HD ARG 6 10.757 -2.698 -7.423
47 HD3 ARG 6 3HD ARG 6 11.025 -4.413 -7.730
48 HE ARG 6 HE ARG 6 9.514 -3.664 -9.831
49 HH11 ARG 6 1HH1 ARG 6 12.415 -2.356 -8.418
50 HH12 ARG 6 2HH1 ARG 6 13.018 -1.729 -9.916
51 HH21 ARG 6 1HH2 ARG 6 10.298 -2.843 -11.810
52 HH22 ARG 6 2HH2 ARG 6 11.813 -2.006 -11.845
53 H SER 7 H SER 7 9.467 -6.146 -2.942
54 HA SER 7 HA SER 7 11.773 -4.651 -1.879
55 HB2 SER 7 2HB SER 7 9.073 -4.319 -1.163
56 HB3 SER 7 3HB SER 7 9.810 -5.217 0.164
57 HG SER 7 HG SER 7 9.922 -2.704 -0.070
58 H ARG 8 H ARG 8 10.308 -7.639 -2.360
59 HA ARG 8 HA ARG 8 11.007 -9.112 -0.106
60 HB2 ARG 8 2HB ARG 8 9.677 -10.310 -1.555
61 HB3 ARG 8 3HB ARG 8 10.554 -9.767 -2.979
62 HG2 ARG 8 2HG ARG 8 11.993 -11.518 -1.071
63 HG3 ARG 8 3HG ARG 8 10.728 -12.244 -2.064
64 HD2 ARG 8 2HD ARG 8 12.259 -10.597 -3.763
65 HD3 ARG 8 3HD ARG 8 13.401 -11.518 -2.784
66 HE ARG 8 HE ARG 8 12.749 -13.432 -3.872
67 HH11 ARG 8 1HH1 ARG 8 10.495 -10.872 -4.569
68 HH12 ARG 8 2HH1 ARG 8 9.665 -11.762 -5.802
69 HH21 ARG 8 1HH2 ARG 8 11.664 -14.614 -5.494
70 HH22 ARG 8 2HH2 ARG 8 10.330 -13.891 -6.327
71 H TRP 9 H TRP 9 12.924 -8.243 -2.941
72 HA TRP 9 HA TRP 9 15.185 -9.818 -2.281
73 HB2 TRP 9 2HB TRP 9 15.406 -7.274 -3.853
74 HB3 TRP 9 3HB TRP 9 16.247 -8.804 -4.088
75 HD1 TRP 9 HD1 TRP 9 13.137 -6.925 -5.111
76 HE1 TRP 9 HE1 TRP 9 11.838 -8.307 -6.851
77 HE3 TRP 9 HE3 TRP 9 15.723 -11.320 -4.751
78 HZ2 TRP 9 HZ2 TRP 9 11.901 -10.916 -7.927
79 HZ3 TRP 9 HZ3 TRP 9 15.040 -13.210 -6.170
80 HH2 TRP 9 HH2 TRP 9 13.168 -13.010 -7.724
81 H GLY 10 H GLY 10 13.909 -7.077 -0.830
82 HA2 GLY 10 2HA GLY 10 16.261 -5.674 -0.109
83 HA3 GLY 10 3HA GLY 10 14.710 -5.572 0.710
84 H ARG 11 H ARG 11 14.238 -7.842 1.877
85 HA ARG 11 HA ARG 11 16.396 -8.089 3.806
86 HB2 ARG 11 2HB ARG 11 13.925 -7.840 4.403
87 HB3 ARG 11 3HB ARG 11 13.739 -9.510 3.884
88 HG2 ARG 11 2HG ARG 11 15.756 -9.863 5.567
89 HG3 ARG 11 3HG ARG 11 15.073 -8.403 6.286
90 HD2 ARG 11 2HD ARG 11 13.945 -10.093 7.400
91 HD3 ARG 11 3HD ARG 11 12.820 -9.660 6.113
92 HE ARG 11 HE ARG 11 14.294 -11.679 5.044
93 HH11 ARG 11 1HH1 ARG 11 12.424 -11.309 7.957
94 HH12 ARG 11 2HH1 ARG 11 11.991 -12.984 8.047
95 HH21 ARG 11 1HH2 ARG 11 13.730 -13.887 5.151
96 HH22 ARG 11 2HH2 ARG 11 12.735 -14.450 6.451
97 H PHE 12 H PHE 12 14.688 -10.070 1.446
98 HA PHE 12 HA PHE 12 15.607 -12.586 2.075
99 HB2 PHE 12 2HB PHE 12 13.979 -12.098 0.278
100 HB3 PHE 12 3HB PHE 12 15.283 -11.448 -0.709
101 HD1 PHE 12 HD1 PHE 12 14.870 -14.537 1.347
102 HD2 PHE 12 HD2 PHE 12 15.791 -12.845 -2.449
103 HE1 PHE 12 HE1 PHE 12 15.308 -16.788 0.454
104 HE2 PHE 12 HE2 PHE 12 16.229 -15.093 -3.348
105 HZ PHE 12 HZ PHE 12 15.987 -17.068 -1.897
106 H LEU 13 H LEU 13 17.232 -10.099 0.141
107 HA LEU 13 HA LEU 13 19.449 -11.534 -0.689
108 HB2 LEU 13 2HB LEU 13 18.947 -8.656 -0.099
109 HB3 LEU 13 3HB LEU 13 20.597 -9.185 -0.423
110 HG LEU 13 HG LEU 13 18.945 -8.280 -2.321
111 HD11 LEU 13 1HD1 LEU 13 21.131 -8.585 -2.947
112 HD12 LEU 13 2HD1 LEU 13 20.337 -9.855 -3.877
113 HD13 LEU 13 3HD1 LEU 13 21.178 -10.254 -2.378
114 HD21 LEU 13 3HD2 LEU 13 18.600 -11.270 -2.460
115 HD22 LEU 13 1HD2 LEU 13 17.939 -10.060 -3.560
116 HD23 LEU 13 2HD2 LEU 13 17.353 -10.155 -1.900
117 H LEU 14 H LEU 14 18.772 -10.068 2.423
118 HA LEU 14 HA LEU 14 21.329 -10.155 3.544
119 HB2 LEU 14 2HB LEU 14 18.707 -10.598 4.963
120 HB3 LEU 14 3HB LEU 14 20.226 -10.088 5.698
121 HG LEU 14 HG LEU 14 18.520 -8.488 3.792
122 HD11 LEU 14 1HD1 LEU 14 17.748 -8.743 6.175
123 HD12 LEU 14 2HD1 LEU 14 18.037 -7.088 5.638
124 HD13 LEU 14 3HD1 LEU 14 19.223 -7.904 6.658
125 HD21 LEU 14 3HD2 LEU 14 20.730 -7.887 3.279
126 HD22 LEU 14 1HD2 LEU 14 21.237 -7.977 4.966
127 HD23 LEU 14 2HD2 LEU 14 20.184 -6.667 4.431
128 H GLN 15 H GLN 15 19.063 -12.679 2.877
129 HA GLN 15 HA GLN 15 20.319 -14.592 4.644
130 HB2 GLN 15 2HB GLN 15 18.341 -15.197 2.453
131 HB3 GLN 15 3HB GLN 15 18.679 -16.142 3.896
132 HG2 GLN 15 2HG GLN 15 17.427 -13.406 3.895
133 HG3 GLN 15 3HG GLN 15 16.536 -14.924 3.990
134 HE21 GLN 15 1HE2 GLN 15 17.879 -16.417 5.719
135 HE22 GLN 15 2HE2 GLN 15 17.975 -15.662 7.270
136 H ARG 16 H ARG 16 21.114 -13.286 1.711
137 HA ARG 16 HA ARG 16 22.625 -15.695 0.936
138 HB2 ARG 16 2HB ARG 16 22.127 -13.683 -1.160
139 HB3 ARG 16 3HB ARG 16 22.080 -15.439 -1.247
140 HG2 ARG 16 2HG ARG 16 19.879 -15.201 0.097
141 HG3 ARG 16 3HG ARG 16 19.923 -13.529 -0.467
142 HD2 ARG 16 2HD ARG 16 18.623 -14.736 -2.036
143 HD3 ARG 16 3HD ARG 16 20.185 -14.441 -2.799
144 HE ARG 16 HE ARG 16 20.022 -16.973 -1.452
145 HH11 ARG 16 1HH1 ARG 16 19.380 -15.262 -4.416
146 HH12 ARG 16 2HH1 ARG 16 19.435 -16.686 -5.402
147 HH21 ARG 16 1HH2 ARG 16 20.096 -18.854 -2.740
148 HH22 ARG 16 2HH2 ARG 16 19.841 -18.729 -4.447
149 H GLY 17 H GLY 17 22.754 -12.471 1.941
150 HA2 GLY 17 2HA GLY 17 25.601 -12.331 1.164
151 HA3 GLY 17 3HA GLY 17 24.553 -10.922 1.090
152 H SER 18 H SER 18 23.279 -12.149 3.653
153 HA SER 18 HA SER 18 25.308 -11.065 5.497
154 HB2 SER 18 2HB SER 18 22.898 -9.935 5.037
155 HB3 SER 18 3HB SER 18 22.466 -11.044 6.338
156 HG SER 18 HG SER 18 24.030 -8.771 6.392
157 H TRP 19 H TRP 19 23.431 -13.751 4.646
158 HA TRP 19 HA TRP 19 24.297 -15.142 7.072
159 HB2 TRP 19 2HB TRP 19 21.910 -14.443 7.354
160 HB3 TRP 19 3HB TRP 19 21.505 -15.415 5.942
161 HD1 TRP 19 HD1 TRP 19 21.875 -18.129 6.212
162 HE1 TRP 19 HE1 TRP 19 21.661 -19.614 8.303
163 HE3 TRP 19 HE3 TRP 19 22.210 -14.515 9.812
164 HZ2 TRP 19 HZ2 TRP 19 21.637 -19.296 11.108
165 HZ3 TRP 19 HZ3 TRP 19 22.082 -15.188 12.175
166 HH2 TRP 19 HH2 TRP 19 21.801 -17.530 12.807
167 H THR 20 H THR 20 25.794 -16.395 6.072
168 HA THR 20 HA THR 20 24.902 -18.022 3.785
169 HB THR 20 HB THR 20 26.817 -16.723 3.171
170 HG1 THR 20 HG1 THR 20 28.362 -18.481 2.842
171 HG21 THR 20 3HG2 THR 20 29.000 -17.302 4.551
172 HG22 THR 20 1HG2 THR 20 27.828 -17.567 5.842
173 HG23 THR 20 2HG2 THR 20 27.922 -15.997 5.043
174 H GLY 21 H GLY 21 23.840 -19.202 5.738
175 HA2 GLY 21 2HA GLY 21 25.466 -20.771 7.449
176 HA3 GLY 21 3HA GLY 21 23.764 -21.045 7.108
177 HA PRO 22 HA PRO 22 26.214 -24.573 5.343
178 HB2 PRO 22 2HB PRO 22 24.623 -26.512 6.383
179 HB3 PRO 22 3HB PRO 22 25.982 -25.808 7.267
180 HG2 PRO 22 2HG PRO 22 23.062 -25.183 7.473
181 HG3 PRO 22 3HG PRO 22 24.258 -25.380 8.767
182 HD2 PRO 22 2HD PRO 22 23.445 -22.950 7.893
183 HD3 PRO 22 3HD PRO 22 25.088 -23.247 8.497
184 H ARG 23 H ARG 23 23.124 -23.250 5.060
185 HA ARG 23 HA ARG 23 22.666 -24.765 2.593
186 HB2 ARG 23 2HB ARG 23 21.237 -25.398 4.785
187 HB3 ARG 23 3HB ARG 23 20.252 -24.078 4.169
188 HG2 ARG 23 2HG ARG 23 19.891 -25.206 2.104
189 HG3 ARG 23 3HG ARG 23 21.081 -26.445 2.511
190 HD2 ARG 23 2HD ARG 23 18.578 -25.955 4.111
191 HD3 ARG 23 3HD ARG 23 18.671 -27.118 2.789
192 HE ARG 23 HE ARG 23 20.746 -27.603 4.634
193 HH11 ARG 23 1HH1 ARG 23 17.293 -27.895 4.297
194 HH12 ARG 23 2HH1 ARG 23 17.169 -29.236 5.387
195 HH21 ARG 23 1HH2 ARG 23 20.595 -29.369 6.071
196 HH22 ARG 23 2HH2 ARG 23 19.047 -30.073 6.396
197 H CYS 24 H CYS 24 22.975 -23.180 1.144
198 HA CYS 24 HA CYS 24 21.097 -20.984 1.096
199 HB2 CYS 24 2HB CYS 24 23.052 -20.187 2.487
200 HB3 CYS 24 3HB CYS 24 24.049 -20.349 1.046
201 HG CYS 24 HG CYS 24 21.291 -18.511 0.582
Start of MODEL 5
1 H1 SER 1 H SER 1 2.227 0.752 -1.858
2 HA SER 1 HA SER 1 1.219 -1.327 -3.106
3 HB2 SER 1 2HB SER 1 2.602 0.622 -4.919
4 HB3 SER 1 3HB SER 1 0.990 -0.079 -5.059
5 HG SER 1 HG SER 1 1.414 2.254 -4.228
6 H ARG 2 H ARG 2 1.949 -3.253 -3.684
7 HA ARG 2 HA ARG 2 3.311 -4.933 -4.393
8 HB2 ARG 2 2HB ARG 2 4.338 -2.728 -6.189
9 HB3 ARG 2 3HB ARG 2 4.696 -4.437 -6.398
10 HG2 ARG 2 2HG ARG 2 2.406 -4.932 -6.858
11 HG3 ARG 2 3HG ARG 2 1.914 -3.294 -6.427
12 HD2 ARG 2 2HD ARG 2 3.444 -2.512 -8.304
13 HD3 ARG 2 3HD ARG 2 3.503 -4.199 -8.811
14 HE ARG 2 HE ARG 2 0.821 -3.378 -8.504
15 HH11 ARG 2 1HH1 ARG 2 3.569 -2.971 -10.603
16 HH12 ARG 2 2HH1 ARG 2 2.611 -2.655 -12.011
17 HH21 ARG 2 1HH2 ARG 2 -0.451 -2.964 -10.352
18 HH22 ARG 2 2HH2 ARG 2 0.325 -2.651 -11.867
19 H SER 3 H SER 3 4.171 -3.492 -2.087
20 HA SER 3 HA SER 3 7.040 -3.158 -2.322
21 HB2 SER 3 2HB SER 3 5.272 -3.039 0.134
22 HB3 SER 3 3HB SER 3 6.956 -2.524 0.040
23 HG SER 3 HG SER 3 5.996 -0.671 -0.367
24 H SER 4 H SER 4 4.763 -5.543 -1.200
25 HA SER 4 HA SER 4 6.482 -7.096 0.392
26 HB2 SER 4 2HB SER 4 4.066 -7.932 -1.231
27 HB3 SER 4 3HB SER 4 4.848 -8.930 -0.005
28 HG SER 4 HG SER 4 3.031 -6.983 0.317
29 H LEU 5 H LEU 5 6.412 -6.592 -2.967
30 HA LEU 5 HA LEU 5 8.098 -8.968 -3.409
31 HB2 LEU 5 2HB LEU 5 6.682 -7.489 -5.596
32 HB3 LEU 5 3HB LEU 5 7.322 -9.131 -5.606
33 HG LEU 5 HG LEU 5 5.351 -9.147 -3.634
34 HD11 LEU 5 1HD1 LEU 5 3.397 -8.394 -5.165
35 HD12 LEU 5 2HD1 LEU 5 4.619 -7.379 -5.931
36 HD13 LEU 5 3HD1 LEU 5 4.268 -7.191 -4.213
37 HD21 LEU 5 3HD2 LEU 5 5.226 -10.042 -6.513
38 HD22 LEU 5 1HD2 LEU 5 4.170 -10.595 -5.213
39 HD23 LEU 5 2HD2 LEU 5 5.894 -10.964 -5.164
40 H ARG 6 H ARG 6 7.693 -5.528 -4.008
41 HA ARG 6 HA ARG 6 10.151 -5.293 -5.490
42 HB2 ARG 6 2HB ARG 6 8.047 -3.808 -5.678
43 HB3 ARG 6 3HB ARG 6 8.657 -3.003 -4.239
44 HG2 ARG 6 2HG ARG 6 10.394 -2.033 -5.343
45 HG3 ARG 6 3HG ARG 6 10.515 -3.337 -6.526
46 HD2 ARG 6 2HD ARG 6 8.316 -2.527 -7.463
47 HD3 ARG 6 3HD ARG 6 8.491 -1.112 -6.425
48 HE ARG 6 HE ARG 6 10.762 -1.625 -8.123
49 HH11 ARG 6 1HH1 ARG 6 7.672 -0.046 -7.840
50 HH12 ARG 6 2HH1 ARG 6 8.017 1.136 -9.058
51 HH21 ARG 6 1HH2 ARG 6 11.229 -0.073 -9.728
52 HH22 ARG 6 2HH2 ARG 6 10.041 1.120 -10.132
53 H SER 7 H SER 7 9.439 -5.685 -2.267
54 HA SER 7 HA SER 7 11.973 -4.410 -1.469
55 HB2 SER 7 2HB SER 7 9.800 -3.337 -0.593
56 HB3 SER 7 3HB SER 7 9.651 -4.774 0.417
57 HG SER 7 HG SER 7 11.793 -2.913 0.390
58 H ARG 8 H ARG 8 10.225 -7.255 -1.762
59 HA ARG 8 HA ARG 8 10.954 -8.759 0.459
60 HB2 ARG 8 2HB ARG 8 9.445 -9.872 -0.869
61 HB3 ARG 8 3HB ARG 8 10.242 -9.393 -2.362
62 HG2 ARG 8 2HG ARG 8 11.689 -11.250 -0.558
63 HG3 ARG 8 3HG ARG 8 10.310 -11.877 -1.463
64 HD2 ARG 8 2HD ARG 8 11.843 -10.331 -3.258
65 HD3 ARG 8 3HD ARG 8 12.971 -11.349 -2.365
66 HE ARG 8 HE ARG 8 12.088 -13.199 -3.403
67 HH11 ARG 8 1HH1 ARG 8 10.042 -10.442 -3.979
68 HH12 ARG 8 2HH1 ARG 8 9.072 -11.246 -5.169
69 HH21 ARG 8 1HH2 ARG 8 10.818 -14.268 -4.968
70 HH22 ARG 8 2HH2 ARG 8 9.514 -13.422 -5.730
71 H TRP 9 H TRP 9 12.753 -8.048 -2.489
72 HA TRP 9 HA TRP 9 14.907 -9.817 -1.992
73 HB2 TRP 9 2HB TRP 9 15.244 -7.263 -3.531
74 HB3 TRP 9 3HB TRP 9 15.949 -8.847 -3.838
75 HD1 TRP 9 HD1 TRP 9 12.966 -6.706 -4.681
76 HE1 TRP 9 HE1 TRP 9 11.458 -7.956 -6.351
77 HE3 TRP 9 HE3 TRP 9 15.162 -11.318 -4.464
78 HZ2 TRP 9 HZ2 TRP 9 11.229 -10.553 -7.433
79 HZ3 TRP 9 HZ3 TRP 9 14.237 -13.131 -5.848
80 HH2 TRP 9 HH2 TRP 9 12.311 -12.755 -7.300
81 H GLY 10 H GLY 10 13.968 -6.991 -0.435
82 HA2 GLY 10 2HA GLY 10 16.506 -5.867 0.182
83 HA3 GLY 10 3HA GLY 10 15.004 -5.563 1.042
84 H ARG 11 H ARG 11 14.283 -7.770 2.225
85 HA ARG 11 HA ARG 11 16.408 -8.240 4.138
86 HB2 ARG 11 2HB ARG 11 13.943 -7.798 4.701
87 HB3 ARG 11 3HB ARG 11 13.658 -9.462 4.208
88 HG2 ARG 11 2HG ARG 11 15.428 -10.116 5.901
89 HG3 ARG 11 3HG ARG 11 15.311 -8.462 6.504
90 HD2 ARG 11 2HD ARG 11 12.834 -10.096 6.162
91 HD3 ARG 11 3HD ARG 11 13.864 -10.358 7.568
92 HE ARG 11 HE ARG 11 13.186 -7.600 7.135
93 HH11 ARG 11 1HH1 ARG 11 12.174 -10.603 8.576
94 HH12 ARG 11 2HH1 ARG 11 11.160 -9.845 9.758
95 HH21 ARG 11 1HH2 ARG 11 11.854 -6.590 8.687
96 HH22 ARG 11 2HH2 ARG 11 10.978 -7.562 9.820
97 H PHE 12 H PHE 12 14.778 -9.928 1.569
98 HA PHE 12 HA PHE 12 15.476 -12.566 2.258
99 HB2 PHE 12 2HB PHE 12 13.784 -11.922 0.533
100 HB3 PHE 12 3HB PHE 12 15.107 -11.447 -0.527
101 HD1 PHE 12 HD1 PHE 12 14.698 -14.403 1.700
102 HD2 PHE 12 HD2 PHE 12 15.152 -12.949 -2.274
103 HE1 PHE 12 HE1 PHE 12 14.860 -16.716 0.876
104 HE2 PHE 12 HE2 PHE 12 15.314 -15.259 -3.105
105 HZ PHE 12 HZ PHE 12 15.168 -17.146 -1.529
106 H LEU 13 H LEU 13 17.082 -10.203 0.144
107 HA LEU 13 HA LEU 13 19.197 -11.756 -0.734
108 HB2 LEU 13 2HB LEU 13 18.844 -8.835 -0.248
109 HB3 LEU 13 3HB LEU 13 20.443 -9.451 -0.662
110 HG LEU 13 HG LEU 13 18.702 -8.553 -2.481
111 HD11 LEU 13 1HD1 LEU 13 19.952 -10.602 -3.854
112 HD12 LEU 13 2HD1 LEU 13 21.010 -10.304 -2.476
113 HD13 LEU 13 3HD1 LEU 13 20.593 -8.984 -3.568
114 HD21 LEU 13 3HD2 LEU 13 18.202 -11.525 -2.433
115 HD22 LEU 13 1HD2 LEU 13 17.541 -10.348 -3.567
116 HD23 LEU 13 2HD2 LEU 13 17.050 -10.312 -1.873
117 H LEU 14 H LEU 14 18.811 -10.021 2.306
118 HA LEU 14 HA LEU 14 21.418 -10.223 3.275
119 HB2 LEU 14 2HB LEU 14 18.735 -9.856 4.457
120 HB3 LEU 14 3HB LEU 14 20.002 -10.409 5.550
121 HG LEU 14 HG LEU 14 21.349 -8.403 4.775
122 HD11 LEU 14 1HD1 LEU 14 19.658 -8.127 2.790
123 HD12 LEU 14 2HD1 LEU 14 20.407 -6.719 3.542
124 HD13 LEU 14 3HD1 LEU 14 18.759 -7.175 3.971
125 HD21 LEU 14 3HD2 LEU 14 20.048 -6.841 6.230
126 HD22 LEU 14 1HD2 LEU 14 20.373 -8.417 6.953
127 HD23 LEU 14 2HD2 LEU 14 18.773 -8.059 6.300
128 H GLN 15 H GLN 15 18.934 -12.613 2.966
129 HA GLN 15 HA GLN 15 20.165 -14.478 4.794
130 HB2 GLN 15 2HB GLN 15 17.996 -15.022 2.766
131 HB3 GLN 15 3HB GLN 15 18.399 -15.991 4.177
132 HG2 GLN 15 2HG GLN 15 17.731 -14.071 5.608
133 HG3 GLN 15 3HG GLN 15 17.185 -13.239 4.153
134 HE21 GLN 15 1HE2 GLN 15 15.074 -13.169 4.975
135 HE22 GLN 15 2HE2 GLN 15 14.058 -14.566 4.977
136 H ARG 16 H ARG 16 20.888 -13.450 1.738
137 HA ARG 16 HA ARG 16 22.186 -16.012 1.075
138 HB2 ARG 16 2HB ARG 16 21.697 -14.133 -1.144
139 HB3 ARG 16 3HB ARG 16 21.539 -15.884 -1.092
140 HG2 ARG 16 2HG ARG 16 19.437 -15.399 0.346
141 HG3 ARG 16 3HG ARG 16 19.550 -13.784 -0.356
142 HD2 ARG 16 2HD ARG 16 18.125 -14.929 -1.807
143 HD3 ARG 16 3HD ARG 16 19.691 -14.987 -2.615
144 HE ARG 16 HE ARG 16 19.564 -17.286 -1.125
145 HH11 ARG 16 1HH1 ARG 16 17.644 -15.822 -3.633
146 HH12 ARG 16 2HH1 ARG 16 17.094 -17.335 -4.275
147 HH21 ARG 16 1HH2 ARG 16 18.847 -19.283 -1.961
148 HH22 ARG 16 2HH2 ARG 16 17.778 -19.303 -3.322
149 H GLY 17 H GLY 17 22.585 -12.742 1.820
150 HA2 GLY 17 2HA GLY 17 25.375 -12.843 0.852
151 HA3 GLY 17 3HA GLY 17 24.417 -11.372 0.782
152 H SER 18 H SER 18 23.257 -12.358 3.487
153 HA SER 18 HA SER 18 25.497 -11.365 5.124
154 HB2 SER 18 2HB SER 18 22.644 -11.034 5.979
155 HB3 SER 18 3HB SER 18 24.053 -10.059 6.394
156 HG SER 18 HG SER 18 23.774 -8.902 4.646
157 H TRP 19 H TRP 19 23.320 -13.901 4.562
158 HA TRP 19 HA TRP 19 24.200 -15.216 7.033
159 HB2 TRP 19 2HB TRP 19 21.862 -14.330 7.300
160 HB3 TRP 19 3HB TRP 19 21.370 -15.397 5.987
161 HD1 TRP 19 HD1 TRP 19 21.576 -18.091 6.489
162 HE1 TRP 19 HE1 TRP 19 21.340 -19.374 8.707
163 HE3 TRP 19 HE3 TRP 19 22.247 -14.209 9.748
164 HZ2 TRP 19 HZ2 TRP 19 21.426 -18.815 11.473
165 HZ3 TRP 19 HZ3 TRP 19 22.155 -14.668 12.163
166 HH2 TRP 19 HH2 TRP 19 21.752 -16.924 13.006
167 H THR 20 H THR 20 25.582 -16.629 6.083
168 HA THR 20 HA THR 20 24.537 -18.312 3.906
169 HB THR 20 HB THR 20 26.580 -17.119 3.307
170 HG1 THR 20 HG1 THR 20 27.759 -18.963 2.660
171 HG21 THR 20 3HG2 THR 20 28.648 -18.253 4.673
172 HG22 THR 20 1HG2 THR 20 27.440 -18.079 5.945
173 HG23 THR 20 2HG2 THR 20 27.963 -16.667 5.027
174 H GLY 21 H GLY 21 23.605 -18.969 6.379
175 HA2 GLY 21 2HA GLY 21 25.118 -20.710 7.937
176 HA3 GLY 21 3HA GLY 21 23.369 -20.773 7.777
177 HA PRO 22 HA PRO 22 25.343 -24.638 5.992
178 HB2 PRO 22 2HB PRO 22 24.059 -26.394 7.616
179 HB3 PRO 22 3HB PRO 22 25.610 -25.657 8.034
180 HG2 PRO 22 2HG PRO 22 22.853 -24.899 8.920
181 HG3 PRO 22 3HG PRO 22 24.345 -25.008 9.873
182 HD2 PRO 22 2HD PRO 22 23.357 -22.651 8.976
183 HD3 PRO 22 3HD PRO 22 25.098 -22.949 9.163
184 H ARG 23 H ARG 23 24.378 -25.743 4.375
185 HA ARG 23 HA ARG 23 21.456 -25.489 4.124
186 HB2 ARG 23 2HB ARG 23 21.820 -25.763 1.687
187 HB3 ARG 23 3HB ARG 23 22.621 -24.341 2.343
188 HG2 ARG 23 2HG ARG 23 24.726 -25.716 2.456
189 HG3 ARG 23 3HG ARG 23 23.870 -26.948 1.526
190 HD2 ARG 23 2HD ARG 23 23.833 -24.162 0.501
191 HD3 ARG 23 3HD ARG 23 25.343 -25.063 0.370
192 HE ARG 23 HE ARG 23 23.300 -26.695 -0.589
193 HH11 ARG 23 1HH1 ARG 23 24.856 -23.691 -1.411
194 HH12 ARG 23 2HH1 ARG 23 24.570 -23.857 -3.112
195 HH21 ARG 23 1HH2 ARG 23 22.916 -26.925 -2.826
196 HH22 ARG 23 2HH2 ARG 23 23.465 -25.696 -3.915
197 H CYS 24 H CYS 24 24.137 -27.691 4.181
198 HA CYS 24 HA CYS 24 22.827 -29.950 3.084
199 HB2 CYS 24 2HB CYS 24 25.236 -29.637 4.870
200 HB3 CYS 24 3HB CYS 24 24.659 -31.215 4.348
201 HG CYS 24 HG CYS 24 25.634 -28.729 2.208
Start of MODEL 6
1 H1 SER 1 H SER 1 1.318 -3.842 -6.098
2 HA SER 1 HA SER 1 4.102 -3.363 -6.292
3 HB2 SER 1 2HB SER 1 2.342 -2.800 -8.032
4 HB3 SER 1 3HB SER 1 1.916 -1.412 -7.032
5 HG SER 1 HG SER 1 3.898 -1.634 -8.794
6 H ARG 2 H ARG 2 3.415 -3.340 -3.588
7 HA ARG 2 HA ARG 2 3.856 -0.515 -2.871
8 HB2 ARG 2 2HB ARG 2 2.588 -2.657 -1.155
9 HB3 ARG 2 3HB ARG 2 2.784 -0.961 -0.734
10 HG2 ARG 2 2HG ARG 2 1.273 -0.337 -2.554
11 HG3 ARG 2 3HG ARG 2 1.071 -2.042 -2.963
12 HD2 ARG 2 2HD ARG 2 -0.805 -1.368 -1.642
13 HD3 ARG 2 3HD ARG 2 0.210 -2.421 -0.656
14 HE ARG 2 HE ARG 2 0.791 0.367 -0.310
15 HH11 ARG 2 1HH1 ARG 2 -1.261 -2.262 0.688
16 HH12 ARG 2 2HH1 ARG 2 -1.636 -1.558 2.226
17 HH21 ARG 2 1HH2 ARG 2 0.306 1.305 1.712
18 HH22 ARG 2 2HH2 ARG 2 -0.745 0.471 2.807
19 H SER 3 H SER 3 6.084 -1.706 -3.568
20 HA SER 3 HA SER 3 8.189 -2.250 -2.899
21 HB2 SER 3 2HB SER 3 7.863 -0.332 -1.364
22 HB3 SER 3 3HB SER 3 7.202 -1.432 -0.154
23 HG SER 3 HG SER 3 9.205 -1.643 0.436
24 H SER 4 H SER 4 5.832 -4.161 -2.629
25 HA SER 4 HA SER 4 6.888 -6.010 -0.621
26 HB2 SER 4 2HB SER 4 4.342 -6.112 -2.257
27 HB3 SER 4 3HB SER 4 4.810 -7.301 -1.041
28 HG SER 4 HG SER 4 4.885 -5.453 0.445
29 H LEU 5 H LEU 5 6.987 -5.417 -3.960
30 HA LEU 5 HA LEU 5 7.981 -8.147 -4.456
31 HB2 LEU 5 2HB LEU 5 7.414 -7.501 -6.909
32 HB3 LEU 5 3HB LEU 5 6.142 -8.059 -5.823
33 HG LEU 5 HG LEU 5 6.456 -5.159 -5.815
34 HD11 LEU 5 1HD1 LEU 5 5.194 -5.106 -8.097
35 HD12 LEU 5 2HD1 LEU 5 6.055 -6.617 -8.387
36 HD13 LEU 5 3HD1 LEU 5 6.957 -5.137 -8.059
37 HD21 LEU 5 3HD2 LEU 5 3.957 -6.426 -6.700
38 HD22 LEU 5 1HD2 LEU 5 4.243 -5.235 -5.430
39 HD23 LEU 5 2HD2 LEU 5 4.542 -6.945 -5.118
40 H ARG 6 H ARG 6 8.312 -4.740 -5.410
41 HA ARG 6 HA ARG 6 10.817 -5.176 -6.735
42 HB2 ARG 6 2HB ARG 6 9.003 -3.281 -7.050
43 HB3 ARG 6 3HB ARG 6 9.956 -2.468 -5.816
44 HG2 ARG 6 2HG ARG 6 11.739 -2.160 -7.194
45 HG3 ARG 6 3HG ARG 6 11.400 -3.611 -8.139
46 HD2 ARG 6 2HD ARG 6 9.256 -2.233 -8.829
47 HD3 ARG 6 3HD ARG 6 10.280 -0.866 -8.393
48 HE ARG 6 HE ARG 6 11.855 -2.347 -10.031
49 HH11 ARG 6 1HH1 ARG 6 8.650 -1.016 -10.311
50 HH12 ARG 6 2HH1 ARG 6 8.743 -0.813 -12.029
51 HH21 ARG 6 1HH2 ARG 6 11.989 -2.085 -12.293
52 HH22 ARG 6 2HH2 ARG 6 10.643 -1.422 -13.156
53 H SER 7 H SER 7 9.986 -5.139 -3.542
54 HA SER 7 HA SER 7 12.688 -4.272 -2.748
55 HB2 SER 7 2HB SER 7 10.277 -3.090 -1.970
56 HB3 SER 7 3HB SER 7 10.757 -4.078 -0.591
57 HG SER 7 HG SER 7 12.230 -2.655 -0.172
58 H ARG 8 H ARG 8 10.466 -6.769 -2.891
59 HA ARG 8 HA ARG 8 10.856 -8.173 -0.514
60 HB2 ARG 8 2HB ARG 8 9.176 -9.093 -1.784
61 HB3 ARG 8 3HB ARG 8 10.067 -8.912 -3.289
62 HG2 ARG 8 2HG ARG 8 11.116 -10.837 -1.294
63 HG3 ARG 8 3HG ARG 8 9.647 -11.271 -2.169
64 HD2 ARG 8 2HD ARG 8 11.870 -10.185 -3.784
65 HD3 ARG 8 3HD ARG 8 12.123 -11.781 -3.078
66 HE ARG 8 HE ARG 8 10.356 -11.105 -5.231
67 HH11 ARG 8 1HH1 ARG 8 10.934 -13.333 -2.619
68 HH12 ARG 8 2HH1 ARG 8 10.037 -14.624 -3.348
69 HH21 ARG 8 1HH2 ARG 8 9.172 -12.797 -6.201
70 HH22 ARG 8 2HH2 ARG 8 9.036 -14.318 -5.386
71 H TRP 9 H TRP 9 12.865 -7.909 -3.368
72 HA TRP 9 HA TRP 9 14.624 -10.054 -2.671
73 HB2 TRP 9 2HB TRP 9 15.468 -7.804 -4.457
74 HB3 TRP 9 3HB TRP 9 15.805 -9.527 -4.596
75 HD1 TRP 9 HD1 TRP 9 13.336 -6.878 -5.664
76 HE1 TRP 9 HE1 TRP 9 11.596 -7.922 -7.247
77 HE3 TRP 9 HE3 TRP 9 14.529 -11.810 -5.043
78 HZ2 TRP 9 HZ2 TRP 9 10.830 -10.496 -8.117
79 HZ3 TRP 9 HZ3 TRP 9 13.244 -13.500 -6.286
80 HH2 TRP 9 HH2 TRP 9 11.433 -12.855 -7.791
81 H GLY 10 H GLY 10 14.130 -7.107 -1.274
82 HA2 GLY 10 2HA GLY 10 16.856 -6.349 -0.762
83 HA3 GLY 10 3HA GLY 10 15.423 -5.666 -0.008
84 H ARG 11 H ARG 11 14.265 -7.714 1.270
85 HA ARG 11 HA ARG 11 16.203 -8.289 3.363
86 HB2 ARG 11 2HB ARG 11 13.818 -7.371 3.725
87 HB3 ARG 11 3HB ARG 11 13.287 -9.022 3.430
88 HG2 ARG 11 2HG ARG 11 15.080 -9.574 5.275
89 HG3 ARG 11 3HG ARG 11 14.794 -7.893 5.727
90 HD2 ARG 11 2HD ARG 11 12.522 -9.802 5.296
91 HD3 ARG 11 3HD ARG 11 13.367 -9.721 6.841
92 HE ARG 11 HE ARG 11 12.632 -7.126 6.109
93 HH11 ARG 11 1HH1 ARG 11 11.148 -10.131 7.050
94 HH12 ARG 11 2HH1 ARG 11 9.761 -9.374 7.761
95 HH21 ARG 11 1HH2 ARG 11 10.811 -6.117 7.042
96 HH22 ARG 11 2HH2 ARG 11 9.570 -7.091 7.755
97 H PHE 12 H PHE 12 14.480 -9.902 0.832
98 HA PHE 12 HA PHE 12 14.685 -12.548 1.843
99 HB2 PHE 12 2HB PHE 12 13.113 -11.773 0.026
100 HB3 PHE 12 3HB PHE 12 14.499 -11.733 -1.060
101 HD1 PHE 12 HD1 PHE 12 13.353 -14.173 1.520
102 HD2 PHE 12 HD2 PHE 12 14.374 -13.469 -2.552
103 HE1 PHE 12 HE1 PHE 12 13.030 -16.562 1.029
104 HE2 PHE 12 HE2 PHE 12 14.052 -15.856 -3.049
105 HZ PHE 12 HZ PHE 12 13.378 -17.407 -1.258
106 H LEU 13 H LEU 13 16.612 -10.712 -0.515
107 HA LEU 13 HA LEU 13 18.445 -12.652 -1.217
108 HB2 LEU 13 2HB LEU 13 18.578 -9.679 -1.008
109 HB3 LEU 13 3HB LEU 13 20.048 -10.586 -1.363
110 HG LEU 13 HG LEU 13 18.464 -9.583 -3.260
111 HD11 LEU 13 1HD1 LEU 13 20.533 -11.503 -3.091
112 HD12 LEU 13 2HD1 LEU 13 20.073 -10.505 -4.470
113 HD13 LEU 13 3HD1 LEU 13 19.348 -12.098 -4.254
114 HD21 LEU 13 3HD2 LEU 13 17.440 -12.398 -2.915
115 HD22 LEU 13 1HD2 LEU 13 16.989 -11.245 -4.171
116 HD23 LEU 13 2HD2 LEU 13 16.533 -10.944 -2.494
117 H LEU 14 H LEU 14 18.257 -10.744 1.705
118 HA LEU 14 HA LEU 14 20.831 -11.140 2.711
119 HB2 LEU 14 2HB LEU 14 18.221 -10.358 3.767
120 HB3 LEU 14 3HB LEU 14 19.250 -11.164 4.950
121 HG LEU 14 HG LEU 14 20.955 -9.317 3.859
122 HD11 LEU 14 1HD1 LEU 14 19.188 -8.256 2.587
123 HD12 LEU 14 2HD1 LEU 14 19.733 -7.188 3.879
124 HD13 LEU 14 3HD1 LEU 14 18.216 -8.071 4.047
125 HD21 LEU 14 3HD2 LEU 14 20.433 -8.021 5.971
126 HD22 LEU 14 1HD2 LEU 14 20.877 -9.715 6.184
127 HD23 LEU 14 2HD2 LEU 14 19.185 -9.227 6.290
128 H GLN 15 H GLN 15 18.094 -13.278 2.546
129 HA GLN 15 HA GLN 15 19.188 -15.186 4.417
130 HB2 GLN 15 2HB GLN 15 17.206 -16.344 4.202
131 HB3 GLN 15 3HB GLN 15 16.681 -14.712 3.811
132 HG2 GLN 15 2HG GLN 15 15.730 -15.728 2.054
133 HG3 GLN 15 3HG GLN 15 17.343 -15.581 1.359
134 HE21 GLN 15 1HE2 GLN 15 15.372 -17.760 3.336
135 HE22 GLN 15 2HE2 GLN 15 16.017 -19.221 2.679
136 H ARG 16 H ARG 16 19.956 -14.358 1.326
137 HA ARG 16 HA ARG 16 20.916 -17.077 0.718
138 HB2 ARG 16 2HB ARG 16 20.621 -15.206 -1.543
139 HB3 ARG 16 3HB ARG 16 20.257 -16.923 -1.445
140 HG2 ARG 16 2HG ARG 16 18.183 -16.405 -0.244
141 HG3 ARG 16 3HG ARG 16 18.545 -14.684 -0.388
142 HD2 ARG 16 2HD ARG 16 17.033 -15.180 -2.132
143 HD3 ARG 16 3HD ARG 16 18.619 -15.039 -2.888
144 HE ARG 16 HE ARG 16 17.906 -17.729 -2.158
145 HH11 ARG 16 1HH1 ARG 16 17.707 -15.270 -4.614
146 HH12 ARG 16 2HH1 ARG 16 17.471 -16.398 -5.908
147 HH21 ARG 16 1HH2 ARG 16 17.597 -19.224 -3.853
148 HH22 ARG 16 2HH2 ARG 16 17.408 -18.646 -5.474
149 H GLY 17 H GLY 17 21.728 -13.861 1.359
150 HA2 GLY 17 2HA GLY 17 24.474 -14.345 0.381
151 HA3 GLY 17 3HA GLY 17 23.704 -12.772 0.238
152 H SER 18 H SER 18 22.447 -13.467 2.987
153 HA SER 18 HA SER 18 24.800 -12.661 4.570
154 HB2 SER 18 2HB SER 18 22.005 -11.990 5.421
155 HB3 SER 18 3HB SER 18 23.514 -11.154 5.785
156 HG SER 18 HG SER 18 23.546 -10.613 3.481
157 H TRP 19 H TRP 19 22.364 -14.976 4.134
158 HA TRP 19 HA TRP 19 23.151 -16.291 6.632
159 HB2 TRP 19 2HB TRP 19 20.976 -15.111 6.994
160 HB3 TRP 19 3HB TRP 19 20.276 -16.096 5.713
161 HD1 TRP 19 HD1 TRP 19 20.113 -18.791 6.226
162 HE1 TRP 19 HE1 TRP 19 19.793 -20.024 8.463
163 HE3 TRP 19 HE3 TRP 19 21.481 -15.042 9.422
164 HZ2 TRP 19 HZ2 TRP 19 20.081 -19.479 11.217
165 HZ3 TRP 19 HZ3 TRP 19 21.430 -15.480 11.843
166 HH2 TRP 19 HH2 TRP 19 20.744 -17.652 12.720
167 H THR 20 H THR 20 24.312 -17.875 5.637
168 HA THR 20 HA THR 20 23.026 -19.426 3.508
169 HB THR 20 HB THR 20 25.318 -18.639 3.072
170 HG1 THR 20 HG1 THR 20 25.549 -21.425 3.415
171 HG21 THR 20 3HG2 THR 20 26.650 -20.534 4.830
172 HG22 THR 20 1HG2 THR 20 25.782 -19.286 5.723
173 HG23 THR 20 2HG2 THR 20 27.003 -18.832 4.533
174 H GLY 21 H GLY 21 22.553 -19.534 6.543
175 HA2 GLY 21 2HA GLY 21 22.154 -21.136 8.141
176 HA3 GLY 21 3HA GLY 21 21.865 -22.200 6.772
177 HA PRO 22 HA PRO 22 25.450 -23.872 9.195
178 HB2 PRO 22 2HB PRO 22 24.542 -26.430 9.225
179 HB3 PRO 22 3HB PRO 22 24.077 -25.232 10.438
180 HG2 PRO 22 2HG PRO 22 22.579 -26.154 8.016
181 HG3 PRO 22 3HG PRO 22 21.977 -25.853 9.657
182 HD2 PRO 22 2HD PRO 22 21.663 -24.073 7.640
183 HD3 PRO 22 3HD PRO 22 21.863 -23.574 9.332
184 H ARG 23 H ARG 23 26.512 -23.317 7.119
185 HA ARG 23 HA ARG 23 26.983 -25.751 5.541
186 HB2 ARG 23 2HB ARG 23 25.509 -24.156 4.300
187 HB3 ARG 23 3HB ARG 23 26.806 -22.970 4.373
188 HG2 ARG 23 2HG ARG 23 27.229 -23.822 2.320
189 HG3 ARG 23 3HG ARG 23 28.171 -24.966 3.279
190 HD2 ARG 23 2HD ARG 23 26.427 -26.590 3.191
191 HD3 ARG 23 3HD ARG 23 25.304 -25.428 2.485
192 HE ARG 23 HE ARG 23 27.661 -25.900 0.901
193 HH11 ARG 23 1HH1 ARG 23 24.413 -26.934 1.609
194 HH12 ARG 23 2HH1 ARG 23 24.181 -27.696 0.070
195 HH21 ARG 23 1HH2 ARG 23 27.368 -26.900 -1.128
196 HH22 ARG 23 2HH2 ARG 23 25.862 -27.677 -1.486
197 H CYS 24 H CYS 24 28.672 -25.476 7.446
198 HA CYS 24 HA CYS 24 31.106 -24.528 6.162
199 HB2 CYS 24 2HB CYS 24 30.474 -22.592 7.458
200 HB3 CYS 24 3HB CYS 24 30.195 -23.583 8.884
201 HG CYS 24 HG CYS 24 33.129 -22.535 7.554
Start of MODEL 7
1 H1 SER 1 H SER 1 2.884 2.462 -1.264
2 HA SER 1 HA SER 1 2.452 1.133 -3.503
3 HB2 SER 1 2HB SER 1 4.665 1.502 -4.170
4 HB3 SER 1 3HB SER 1 4.443 2.682 -2.879
5 HG SER 1 HG SER 1 6.230 0.719 -3.030
6 H ARG 2 H ARG 2 3.624 -0.738 -4.551
7 HA ARG 2 HA ARG 2 3.119 -3.100 -2.996
8 HB2 ARG 2 2HB ARG 2 3.762 -2.484 -5.826
9 HB3 ARG 2 3HB ARG 2 4.217 -4.080 -5.246
10 HG2 ARG 2 2HG ARG 2 2.114 -4.479 -6.059
11 HG3 ARG 2 3HG ARG 2 1.764 -4.145 -4.361
12 HD2 ARG 2 2HD ARG 2 1.780 -1.870 -6.278
13 HD3 ARG 2 3HD ARG 2 0.413 -2.983 -6.314
14 HE ARG 2 HE ARG 2 1.072 -2.009 -3.685
15 HH11 ARG 2 1HH1 ARG 2 -0.747 -1.435 -6.597
16 HH12 ARG 2 2HH1 ARG 2 -1.925 -0.430 -5.819
17 HH21 ARG 2 1HH2 ARG 2 -0.471 -0.687 -2.649
18 HH22 ARG 2 2HH2 ARG 2 -1.766 -0.005 -3.573
19 H SER 3 H SER 3 4.719 -2.786 -1.332
20 HA SER 3 HA SER 3 7.502 -3.156 -2.166
21 HB2 SER 3 2HB SER 3 7.036 -1.341 -0.565
22 HB3 SER 3 3HB SER 3 6.364 -2.514 0.566
23 HG SER 3 HG SER 3 8.649 -1.874 0.854
24 H SER 4 H SER 4 5.459 -5.285 -2.259
25 HA SER 4 HA SER 4 6.525 -7.142 -0.244
26 HB2 SER 4 2HB SER 4 4.024 -7.325 -1.941
27 HB3 SER 4 3HB SER 4 4.556 -8.554 -0.795
28 HG SER 4 HG SER 4 4.561 -6.530 0.680
29 H LEU 5 H LEU 5 6.659 -6.346 -3.536
30 HA LEU 5 HA LEU 5 7.894 -8.950 -4.150
31 HB2 LEU 5 2HB LEU 5 7.228 -8.518 -6.520
32 HB3 LEU 5 3HB LEU 5 5.893 -8.827 -5.412
33 HG LEU 5 HG LEU 5 6.031 -6.096 -5.387
34 HD11 LEU 5 1HD1 LEU 5 6.122 -6.565 -8.284
35 HD12 LEU 5 2HD1 LEU 5 7.674 -6.685 -7.455
36 HD13 LEU 5 3HD1 LEU 5 6.720 -5.208 -7.330
37 HD21 LEU 5 3HD2 LEU 5 4.080 -6.251 -6.971
38 HD22 LEU 5 1HD2 LEU 5 3.975 -7.267 -5.533
39 HD23 LEU 5 2HD2 LEU 5 4.412 -7.980 -7.087
40 H ARG 6 H ARG 6 7.856 -5.502 -5.024
41 HA ARG 6 HA ARG 6 10.405 -5.629 -6.325
42 HB2 ARG 6 2HB ARG 6 8.434 -3.950 -6.677
43 HB3 ARG 6 3HB ARG 6 9.176 -3.077 -5.343
44 HG2 ARG 6 2HG ARG 6 11.019 -2.495 -6.562
45 HG3 ARG 6 3HG ARG 6 10.894 -3.898 -7.625
46 HD2 ARG 6 2HD ARG 6 8.672 -2.735 -8.385
47 HD3 ARG 6 3HD ARG 6 9.447 -1.291 -7.735
48 HE ARG 6 HE ARG 6 11.356 -2.316 -9.336
49 HH11 ARG 6 1HH1 ARG 6 7.985 -1.604 -9.833
50 HH12 ARG 6 2HH1 ARG 6 8.172 -1.260 -11.521
51 HH21 ARG 6 1HH2 ARG 6 11.615 -1.866 -11.557
52 HH22 ARG 6 2HH2 ARG 6 10.237 -1.410 -12.501
53 H SER 7 H SER 7 9.551 -5.756 -3.140
54 HA SER 7 HA SER 7 12.139 -4.627 -2.300
55 HB2 SER 7 2HB SER 7 10.748 -3.111 -1.271
56 HB3 SER 7 3HB SER 7 9.415 -4.259 -1.142
57 HG SER 7 HG SER 7 11.368 -3.672 0.649
58 H ARG 8 H ARG 8 10.177 -7.335 -2.503
59 HA ARG 8 HA ARG 8 10.702 -8.740 -0.155
60 HB2 ARG 8 2HB ARG 8 9.120 -9.779 -1.473
61 HB3 ARG 8 3HB ARG 8 10.029 -9.517 -2.956
62 HG2 ARG 8 2HG ARG 8 11.209 -11.341 -0.943
63 HG3 ARG 8 3HG ARG 8 9.790 -11.905 -1.829
64 HD2 ARG 8 2HD ARG 8 11.908 -10.634 -3.442
65 HD3 ARG 8 3HD ARG 8 12.320 -12.185 -2.711
66 HE ARG 8 HE ARG 8 10.498 -11.723 -4.877
67 HH11 ARG 8 1HH1 ARG 8 11.305 -13.847 -2.239
68 HH12 ARG 8 2HH1 ARG 8 10.552 -15.234 -2.954
69 HH21 ARG 8 1HH2 ARG 8 9.503 -13.542 -5.828
70 HH22 ARG 8 2HH2 ARG 8 9.528 -15.060 -4.996
71 H TRP 9 H TRP 9 12.663 -8.282 -3.031
72 HA TRP 9 HA TRP 9 14.638 -10.223 -2.330
73 HB2 TRP 9 2HB TRP 9 15.237 -7.899 -4.122
74 HB3 TRP 9 3HB TRP 9 15.756 -9.577 -4.259
75 HD1 TRP 9 HD1 TRP 9 13.015 -7.208 -5.325
76 HE1 TRP 9 HE1 TRP 9 11.393 -8.436 -6.902
77 HE3 TRP 9 HE3 TRP 9 14.731 -11.983 -4.698
78 HZ2 TRP 9 HZ2 TRP 9 10.904 -11.078 -7.765
79 HZ3 TRP 9 HZ3 TRP 9 13.631 -13.804 -5.936
80 HH2 TRP 9 HH2 TRP 9 11.757 -13.359 -7.436
81 H GLY 10 H GLY 10 13.861 -7.292 -0.985
82 HA2 GLY 10 2HA GLY 10 16.457 -6.218 -0.489
83 HA3 GLY 10 3HA GLY 10 14.975 -5.781 0.348
84 H ARG 11 H ARG 11 14.165 -7.876 1.688
85 HA ARG 11 HA ARG 11 16.291 -8.295 3.621
86 HB2 ARG 11 2HB ARG 11 13.876 -7.654 4.189
87 HB3 ARG 11 3HB ARG 11 13.467 -9.324 3.820
88 HG2 ARG 11 2HG ARG 11 15.312 -9.913 5.526
89 HG3 ARG 11 3HG ARG 11 15.128 -8.239 6.055
90 HD2 ARG 11 2HD ARG 11 13.630 -9.300 7.436
91 HD3 ARG 11 3HD ARG 11 12.584 -8.846 6.091
92 HE ARG 11 HE ARG 11 13.570 -11.380 5.537
93 HH11 ARG 11 1HH1 ARG 11 11.571 -9.844 7.938
94 HH12 ARG 11 2HH1 ARG 11 10.639 -11.269 8.262
95 HH21 ARG 11 1HH2 ARG 11 12.350 -13.262 5.955
96 HH22 ARG 11 2HH2 ARG 11 11.083 -13.212 7.133
97 H PHE 12 H PHE 12 14.392 -10.132 1.319
98 HA PHE 12 HA PHE 12 14.974 -12.721 2.183
99 HB2 PHE 12 2HB PHE 12 13.303 -12.136 0.431
100 HB3 PHE 12 3HB PHE 12 14.629 -11.801 -0.678
101 HD1 PHE 12 HD1 PHE 12 13.823 -14.561 1.706
102 HD2 PHE 12 HD2 PHE 12 14.868 -13.432 -2.262
103 HE1 PHE 12 HE1 PHE 12 13.861 -16.931 1.045
104 HE2 PHE 12 HE2 PHE 12 14.907 -15.800 -2.930
105 HZ PHE 12 HZ PHE 12 14.402 -17.553 -1.275
106 H LEU 13 H LEU 13 16.715 -10.655 -0.124
107 HA LEU 13 HA LEU 13 18.707 -12.426 -0.882
108 HB2 LEU 13 2HB LEU 13 18.557 -9.455 -0.657
109 HB3 LEU 13 3HB LEU 13 20.105 -10.213 -1.025
110 HG LEU 13 HG LEU 13 18.419 -9.362 -2.908
111 HD11 LEU 13 1HD1 LEU 13 20.686 -11.013 -2.770
112 HD12 LEU 13 2HD1 LEU 13 20.065 -10.141 -4.171
113 HD13 LEU 13 3HD1 LEU 13 19.560 -11.804 -3.873
114 HD21 LEU 13 3HD2 LEU 13 17.680 -12.265 -2.577
115 HD22 LEU 13 1HD2 LEU 13 17.105 -11.151 -3.817
116 HD23 LEU 13 2HD2 LEU 13 16.638 -10.913 -2.133
117 H LEU 14 H LEU 14 18.466 -10.420 1.999
118 HA LEU 14 HA LEU 14 21.073 -10.717 2.962
119 HB2 LEU 14 2HB LEU 14 18.514 -10.470 4.536
120 HB3 LEU 14 3HB LEU 14 20.137 -10.191 5.163
121 HG LEU 14 HG LEU 14 18.697 -8.538 3.090
122 HD11 LEU 14 1HD1 LEU 14 18.212 -8.437 5.678
123 HD12 LEU 14 2HD1 LEU 14 18.328 -6.970 4.707
124 HD13 LEU 14 3HD1 LEU 14 19.700 -7.490 5.685
125 HD21 LEU 14 3HD2 LEU 14 21.103 -8.704 2.620
126 HD22 LEU 14 1HD2 LEU 14 21.451 -8.166 4.264
127 HD23 LEU 14 2HD2 LEU 14 20.638 -7.081 3.135
128 H GLN 15 H GLN 15 18.485 -12.967 2.776
129 HA GLN 15 HA GLN 15 19.488 -14.720 4.837
130 HB2 GLN 15 2HB GLN 15 17.396 -15.225 2.714
131 HB3 GLN 15 3HB GLN 15 17.713 -16.244 4.111
132 HG2 GLN 15 2HG GLN 15 17.144 -14.239 5.538
133 HG3 GLN 15 3HG GLN 15 16.554 -13.476 4.063
134 HE21 GLN 15 1HE2 GLN 15 15.745 -15.383 6.666
135 HE22 GLN 15 2HE2 GLN 15 14.245 -16.011 6.086
136 H ARG 16 H ARG 16 20.344 -14.056 1.670
137 HA ARG 16 HA ARG 16 21.610 -16.701 1.376
138 HB2 ARG 16 2HB ARG 16 21.455 -16.487 -1.011
139 HB3 ARG 16 3HB ARG 16 19.859 -16.194 -0.331
140 HG2 ARG 16 2HG ARG 16 19.961 -13.905 -0.768
141 HG3 ARG 16 3HG ARG 16 21.713 -13.932 -0.975
142 HD2 ARG 16 2HD ARG 16 20.601 -13.701 -3.124
143 HD3 ARG 16 3HD ARG 16 21.444 -15.246 -3.025
144 HE ARG 16 HE ARG 16 18.815 -15.666 -2.209
145 HH11 ARG 16 1HH1 ARG 16 20.548 -14.742 -5.083
146 HH12 ARG 16 2HH1 ARG 16 19.373 -15.413 -6.165
147 HH21 ARG 16 1HH2 ARG 16 17.261 -16.554 -3.623
148 HH22 ARG 16 2HH2 ARG 16 17.503 -16.443 -5.333
149 H GLY 17 H GLY 17 22.068 -13.337 1.671
150 HA2 GLY 17 2HA GLY 17 24.896 -13.632 0.862
151 HA3 GLY 17 3HA GLY 17 23.992 -12.135 0.689
152 H SER 18 H SER 18 22.735 -12.859 3.409
153 HA SER 18 HA SER 18 24.995 -11.900 5.041
154 HB2 SER 18 2HB SER 18 22.160 -11.335 5.816
155 HB3 SER 18 3HB SER 18 23.621 -10.407 6.158
156 HG SER 18 HG SER 18 23.201 -9.279 4.450
157 H TRP 19 H TRP 19 22.704 -14.342 4.575
158 HA TRP 19 HA TRP 19 23.173 -15.370 7.298
159 HB2 TRP 19 2HB TRP 19 20.794 -14.786 6.818
160 HB3 TRP 19 3HB TRP 19 20.804 -15.974 5.518
161 HD1 TRP 19 HD1 TRP 19 20.940 -18.580 6.244
162 HE1 TRP 19 HE1 TRP 19 20.249 -19.760 8.425
163 HE3 TRP 19 HE3 TRP 19 20.657 -14.504 9.317
164 HZ2 TRP 19 HZ2 TRP 19 19.660 -19.055 11.094
165 HZ3 TRP 19 HZ3 TRP 19 20.023 -14.843 11.670
166 HH2 TRP 19 HH2 TRP 19 19.535 -17.072 12.538
167 H THR 20 H THR 20 25.094 -16.417 6.626
168 HA THR 20 HA THR 20 24.805 -18.548 4.637
169 HB THR 20 HB THR 20 26.753 -17.122 4.347
170 HG1 THR 20 HG1 THR 20 27.392 -19.059 3.688
171 HG21 THR 20 3HG2 THR 20 26.947 -17.425 7.216
172 HG22 THR 20 1HG2 THR 20 27.722 -16.247 6.158
173 HG23 THR 20 2HG2 THR 20 28.474 -17.819 6.428
174 H GLY 21 H GLY 21 23.360 -19.176 6.803
175 HA2 GLY 21 2HA GLY 21 24.578 -20.407 8.969
176 HA3 GLY 21 3HA GLY 21 23.024 -20.884 8.301
177 HA PRO 22 HA PRO 22 26.245 -24.283 7.777
178 HB2 PRO 22 2HB PRO 22 25.007 -26.130 9.333
179 HB3 PRO 22 3HB PRO 22 26.183 -24.973 9.967
180 HG2 PRO 22 2HG PRO 22 23.192 -24.873 10.050
181 HG3 PRO 22 3HG PRO 22 24.360 -24.485 11.327
182 HD2 PRO 22 2HD PRO 22 23.141 -22.579 9.840
183 HD3 PRO 22 3HD PRO 22 24.789 -22.388 10.471
184 H ARG 23 H ARG 23 25.574 -24.509 5.635
185 HA ARG 23 HA ARG 23 23.017 -25.798 5.095
186 HB2 ARG 23 2HB ARG 23 23.730 -23.891 3.702
187 HB3 ARG 23 3HB ARG 23 25.141 -24.806 3.187
188 HG2 ARG 23 2HG ARG 23 23.813 -26.359 1.993
189 HG3 ARG 23 3HG ARG 23 22.326 -25.746 2.720
190 HD2 ARG 23 2HD ARG 23 22.258 -24.732 0.660
191 HD3 ARG 23 3HD ARG 23 23.069 -23.494 1.619
192 HE ARG 23 HE ARG 23 25.040 -25.124 0.529
193 HH11 ARG 23 1HH1 ARG 23 22.570 -22.931 -0.572
194 HH12 ARG 23 2HH1 ARG 23 23.437 -22.463 -1.997
195 HH21 ARG 23 1HH2 ARG 23 26.192 -24.516 -1.344
196 HH22 ARG 23 2HH2 ARG 23 25.497 -23.366 -2.435
197 H CYS 24 H CYS 24 26.414 -26.330 4.134
198 HA CYS 24 HA CYS 24 25.821 -29.214 4.023
199 HB2 CYS 24 2HB CYS 24 26.487 -27.887 1.872
200 HB3 CYS 24 3HB CYS 24 28.113 -27.973 2.540
201 HG CYS 24 HG CYS 24 28.636 -30.364 1.763
Start of MODEL 8
1 H1 SER 1 H SER 1 1.755 -3.145 -7.901
2 HA SER 1 HA SER 1 3.656 -4.170 -6.269
3 HB2 SER 1 2HB SER 1 4.519 -3.084 -8.132
4 HB3 SER 1 3HB SER 1 3.563 -1.628 -7.854
5 HG SER 1 HG SER 1 5.909 -1.560 -7.351
6 H ARG 2 H ARG 2 3.229 -4.225 -4.099
7 HA ARG 2 HA ARG 2 3.080 -1.630 -2.713
8 HB2 ARG 2 2HB ARG 2 1.165 -3.378 -2.522
9 HB3 ARG 2 3HB ARG 2 2.274 -4.235 -1.459
10 HG2 ARG 2 2HG ARG 2 2.416 -2.209 -0.046
11 HG3 ARG 2 3HG ARG 2 1.200 -1.450 -1.075
12 HD2 ARG 2 2HD ARG 2 0.836 -3.992 0.508
13 HD3 ARG 2 3HD ARG 2 0.210 -2.405 0.953
14 HE ARG 2 HE ARG 2 -0.756 -2.935 -1.579
15 HH11 ARG 2 1HH1 ARG 2 -0.980 -4.360 1.589
16 HH12 ARG 2 2HH1 ARG 2 -2.562 -5.016 1.325
17 HH21 ARG 2 1HH2 ARG 2 -2.838 -3.794 -1.939
18 HH22 ARG 2 2HH2 ARG 2 -3.617 -4.694 -0.683
19 H SER 3 H SER 3 5.558 -2.530 -3.516
20 HA SER 3 HA SER 3 7.668 -2.904 -2.754
21 HB2 SER 3 2HB SER 3 7.086 -1.142 -1.135
22 HB3 SER 3 3HB SER 3 6.422 -2.361 -0.047
23 HG SER 3 HG SER 3 8.366 -2.745 0.627
24 H SER 4 H SER 4 5.549 -5.075 -2.784
25 HA SER 4 HA SER 4 6.675 -6.935 -0.822
26 HB2 SER 4 2HB SER 4 4.255 -7.187 -2.623
27 HB3 SER 4 3HB SER 4 4.782 -8.409 -1.467
28 HG SER 4 HG SER 4 4.653 -6.410 0.031
29 H LEU 5 H LEU 5 6.911 -6.097 -4.099
30 HA LEU 5 HA LEU 5 8.238 -8.659 -4.698
31 HB2 LEU 5 2HB LEU 5 7.729 -7.926 -7.138
32 HB3 LEU 5 3HB LEU 5 6.476 -8.694 -6.166
33 HG LEU 5 HG LEU 5 6.436 -5.789 -5.963
34 HD11 LEU 5 1HD1 LEU 5 6.038 -7.071 -8.660
35 HD12 LEU 5 2HD1 LEU 5 7.227 -5.841 -8.233
36 HD13 LEU 5 3HD1 LEU 5 5.509 -5.444 -8.231
37 HD21 LEU 5 3HD2 LEU 5 4.713 -7.740 -5.425
38 HD22 LEU 5 1HD2 LEU 5 4.208 -7.394 -7.079
39 HD23 LEU 5 2HD2 LEU 5 4.189 -6.114 -5.866
40 H ARG 6 H ARG 6 8.209 -5.181 -5.427
41 HA ARG 6 HA ARG 6 10.814 -5.234 -6.624
42 HB2 ARG 6 2HB ARG 6 8.776 -3.532 -6.875
43 HB3 ARG 6 3HB ARG 6 9.649 -2.693 -5.600
44 HG2 ARG 6 2HG ARG 6 11.482 -2.275 -6.947
45 HG3 ARG 6 3HG ARG 6 11.080 -3.577 -8.068
46 HD2 ARG 6 2HD ARG 6 8.968 -2.182 -8.572
47 HD3 ARG 6 3HD ARG 6 9.848 -0.857 -7.812
48 HE ARG 6 HE ARG 6 10.298 -1.950 -10.411
49 HH11 ARG 6 1HH1 ARG 6 11.845 -0.398 -7.705
50 HH12 ARG 6 2HH1 ARG 6 13.124 0.278 -8.657
51 HH21 ARG 6 1HH2 ARG 6 11.978 -1.065 -11.675
52 HH22 ARG 6 2HH2 ARG 6 13.199 -0.101 -10.916
53 H SER 7 H SER 7 9.821 -5.509 -3.490
54 HA SER 7 HA SER 7 12.356 -4.392 -2.486
55 HB2 SER 7 2HB SER 7 9.784 -3.552 -1.780
56 HB3 SER 7 3HB SER 7 10.307 -4.570 -0.439
57 HG SER 7 HG SER 7 12.374 -3.194 -0.806
58 H ARG 8 H ARG 8 10.440 -7.111 -2.899
59 HA ARG 8 HA ARG 8 10.882 -8.617 -0.597
60 HB2 ARG 8 2HB ARG 8 9.374 -9.613 -2.030
61 HB3 ARG 8 3HB ARG 8 10.342 -9.271 -3.457
62 HG2 ARG 8 2HG ARG 8 11.461 -11.173 -1.483
63 HG3 ARG 8 3HG ARG 8 10.088 -11.712 -2.453
64 HD2 ARG 8 2HD ARG 8 12.253 -10.341 -3.916
65 HD3 ARG 8 3HD ARG 8 12.657 -11.919 -3.239
66 HE ARG 8 HE ARG 8 10.893 -11.376 -5.444
67 HH11 ARG 8 1HH1 ARG 8 11.718 -13.629 -2.921
68 HH12 ARG 8 2HH1 ARG 8 11.038 -14.996 -3.741
69 HH21 ARG 8 1HH2 ARG 8 9.995 -13.168 -6.533
70 HH22 ARG 8 2HH2 ARG 8 10.059 -14.733 -5.795
71 H TRP 9 H TRP 9 12.959 -8.007 -3.362
72 HA TRP 9 HA TRP 9 14.928 -9.954 -2.667
73 HB2 TRP 9 2HB TRP 9 15.574 -7.540 -4.316
74 HB3 TRP 9 3HB TRP 9 16.120 -9.203 -4.510
75 HD1 TRP 9 HD1 TRP 9 13.400 -6.815 -5.584
76 HE1 TRP 9 HE1 TRP 9 11.864 -7.982 -7.287
77 HE3 TRP 9 HE3 TRP 9 15.145 -11.597 -5.108
78 HZ2 TRP 9 HZ2 TRP 9 11.446 -10.586 -8.295
79 HZ3 TRP 9 HZ3 TRP 9 14.123 -13.367 -6.477
80 HH2 TRP 9 HH2 TRP 9 12.311 -12.870 -8.037
81 H GLY 10 H GLY 10 14.056 -7.091 -1.228
82 HA2 GLY 10 2HA GLY 10 16.612 -6.018 -0.563
83 HA3 GLY 10 3HA GLY 10 15.090 -5.637 0.227
84 H ARG 11 H ARG 11 14.252 -7.813 1.422
85 HA ARG 11 HA ARG 11 16.296 -8.297 3.428
86 HB2 ARG 11 2HB ARG 11 13.852 -7.710 3.919
87 HB3 ARG 11 3HB ARG 11 13.480 -9.364 3.454
88 HG2 ARG 11 2HG ARG 11 15.640 -9.153 5.407
89 HG3 ARG 11 3HG ARG 11 14.092 -8.523 5.976
90 HD2 ARG 11 2HD ARG 11 13.883 -11.069 4.555
91 HD3 ARG 11 3HD ARG 11 14.858 -11.153 6.021
92 HE ARG 11 HE ARG 11 12.015 -10.769 5.848
93 HH11 ARG 11 1HH1 ARG 11 14.858 -10.283 7.798
94 HH12 ARG 11 2HH1 ARG 11 13.981 -10.209 9.290
95 HH21 ARG 11 1HH2 ARG 11 10.850 -10.673 7.806
96 HH22 ARG 11 2HH2 ARG 11 11.701 -10.432 9.294
97 H PHE 12 H PHE 12 14.509 -10.046 0.970
98 HA PHE 12 HA PHE 12 15.088 -12.665 1.730
99 HB2 PHE 12 2HB PHE 12 13.497 -11.971 -0.080
100 HB3 PHE 12 3HB PHE 12 14.887 -11.645 -1.109
101 HD1 PHE 12 HD2 PHE 12 13.993 -14.444 1.192
102 HD2 PHE 12 HD1 PHE 12 15.070 -13.237 -2.745
103 HE1 PHE 12 HE2 PHE 12 14.010 -16.799 0.479
104 HE2 PHE 12 HE1 PHE 12 15.088 -15.590 -3.465
105 HZ PHE 12 HZ PHE 12 14.559 -17.374 -1.852
106 H LEU 13 H LEU 13 16.909 -10.470 -0.387
107 HA LEU 13 HA LEU 13 18.952 -12.185 -1.141
108 HB2 LEU 13 2HB LEU 13 18.758 -9.230 -0.780
109 HB3 LEU 13 3HB LEU 13 20.330 -9.955 -1.113
110 HG LEU 13 HG LEU 13 18.721 -9.028 -3.028
111 HD11 LEU 13 1HD1 LEU 13 20.618 -9.640 -4.017
112 HD12 LEU 13 2HD1 LEU 13 19.857 -11.208 -4.283
113 HD13 LEU 13 3HD1 LEU 13 20.884 -10.955 -2.872
114 HD21 LEU 13 3HD2 LEU 13 17.469 -10.783 -4.081
115 HD22 LEU 13 1HD2 LEU 13 16.925 -10.631 -2.410
116 HD23 LEU 13 2HD2 LEU 13 18.000 -11.951 -2.870
117 H LEU 14 H LEU 14 18.558 -10.326 1.820
118 HA LEU 14 HA LEU 14 21.124 -10.650 2.884
119 HB2 LEU 14 2HB LEU 14 18.496 -10.491 4.352
120 HB3 LEU 14 3HB LEU 14 20.088 -10.229 5.061
121 HG LEU 14 HG LEU 14 18.773 -8.499 2.966
122 HD11 LEU 14 1HD1 LEU 14 18.316 -6.955 4.632
123 HD12 LEU 14 2HD1 LEU 14 19.459 -7.680 5.761
124 HD13 LEU 14 3HD1 LEU 14 17.934 -8.491 5.409
125 HD21 LEU 14 3HD2 LEU 14 20.687 -6.977 3.453
126 HD22 LEU 14 1HD2 LEU 14 21.142 -8.470 2.633
127 HD23 LEU 14 2HD2 LEU 14 21.436 -8.290 4.363
128 H GLN 15 H GLN 15 18.593 -12.914 2.438
129 HA GLN 15 HA GLN 15 19.512 -14.754 4.471
130 HB2 GLN 15 2HB GLN 15 17.543 -15.255 2.235
131 HB3 GLN 15 3HB GLN 15 17.756 -16.218 3.691
132 HG2 GLN 15 2HG GLN 15 17.030 -14.262 5.028
133 HG3 GLN 15 3HG GLN 15 16.697 -13.408 3.523
134 HE21 GLN 15 1HE2 GLN 15 14.904 -14.195 5.702
135 HE22 GLN 15 2HE2 GLN 15 13.666 -15.153 4.971
136 H ARG 16 H ARG 16 20.487 -13.932 1.376
137 HA ARG 16 HA ARG 16 21.779 -16.555 1.002
138 HB2 ARG 16 2HB ARG 16 21.725 -16.215 -1.376
139 HB3 ARG 16 3HB ARG 16 20.100 -15.972 -0.748
140 HG2 ARG 16 2HG ARG 16 20.209 -13.653 -1.041
141 HG3 ARG 16 3HG ARG 16 21.965 -13.673 -1.214
142 HD2 ARG 16 2HD ARG 16 20.248 -15.153 -3.163
143 HD3 ARG 16 3HD ARG 16 20.455 -13.409 -3.318
144 HE ARG 16 HE ARG 16 22.994 -14.327 -3.103
145 HH11 ARG 16 1HH1 ARG 16 20.308 -15.147 -5.160
146 HH12 ARG 16 2HH1 ARG 16 21.305 -15.613 -6.497
147 HH21 ARG 16 1HH2 ARG 16 24.318 -14.937 -4.857
148 HH22 ARG 16 2HH2 ARG 16 23.587 -15.494 -6.324
149 H GLY 17 H GLY 17 22.207 -13.206 1.478
150 HA2 GLY 17 2HA GLY 17 25.077 -13.473 0.822
151 HA3 GLY 17 3HA GLY 17 24.182 -11.977 0.601
152 H SER 18 H SER 18 22.761 -12.779 3.238
153 HA SER 18 HA SER 18 24.891 -11.776 5.012
154 HB2 SER 18 2HB SER 18 22.554 -10.481 4.387
155 HB3 SER 18 3HB SER 18 22.123 -11.307 5.884
156 HG SER 18 HG SER 18 24.380 -9.623 5.514
157 H TRP 19 H TRP 19 22.734 -14.296 4.374
158 HA TRP 19 HA TRP 19 23.087 -15.355 7.102
159 HB2 TRP 19 2HB TRP 19 20.718 -14.839 6.513
160 HB3 TRP 19 3HB TRP 19 20.831 -15.999 5.192
161 HD1 TRP 19 HD1 TRP 19 21.051 -18.616 5.886
162 HE1 TRP 19 HE1 TRP 19 20.276 -19.861 8.001
163 HE3 TRP 19 HE3 TRP 19 20.399 -14.608 8.992
164 HZ2 TRP 19 HZ2 TRP 19 19.492 -19.227 10.638
165 HZ3 TRP 19 HZ3 TRP 19 19.634 -15.013 11.295
166 HH2 TRP 19 HH2 TRP 19 19.190 -17.276 12.099
167 H THR 20 H THR 20 25.041 -16.380 6.580
168 HA THR 20 HA THR 20 24.926 -18.473 4.526
169 HB THR 20 HB THR 20 26.835 -17.005 4.304
170 HG1 THR 20 HG1 THR 20 27.961 -19.317 5.457
171 HG21 THR 20 3HG2 THR 20 26.956 -17.331 7.206
172 HG22 THR 20 1HG2 THR 20 27.564 -16.027 6.188
173 HG23 THR 20 2HG2 THR 20 28.524 -17.489 6.414
174 H GLY 21 H GLY 21 23.405 -19.281 6.500
175 HA2 GLY 21 2HA GLY 21 24.542 -20.443 8.762
176 HA3 GLY 21 3HA GLY 21 23.071 -21.003 7.980
177 HA PRO 22 HA PRO 22 26.430 -24.258 7.685
178 HB2 PRO 22 2HB PRO 22 25.028 -26.224 8.926
179 HB3 PRO 22 3HB PRO 22 26.052 -25.077 9.798
180 HG2 PRO 22 2HG PRO 22 23.083 -25.055 9.416
181 HG3 PRO 22 3HG PRO 22 24.025 -24.715 10.879
182 HD2 PRO 22 2HD PRO 22 22.989 -22.755 9.325
183 HD3 PRO 22 3HD PRO 22 24.512 -22.562 10.217
184 H ARG 23 H ARG 23 23.272 -23.710 6.636
185 HA ARG 23 HA ARG 23 23.613 -25.446 4.374
186 HB2 ARG 23 2HB ARG 23 22.688 -26.950 6.182
187 HB3 ARG 23 3HB ARG 23 21.232 -25.964 6.156
188 HG2 ARG 23 2HG ARG 23 20.741 -27.807 4.807
189 HG3 ARG 23 3HG ARG 23 21.101 -26.503 3.674
190 HD2 ARG 23 2HD ARG 23 23.397 -28.153 4.508
191 HD3 ARG 23 3HD ARG 23 22.180 -28.973 3.531
192 HE ARG 23 HE ARG 23 22.887 -26.474 2.389
193 HH11 ARG 23 1HH1 ARG 23 24.017 -29.739 2.809
194 HH12 ARG 23 2HH1 ARG 23 24.988 -29.726 1.374
195 HH21 ARG 23 1HH2 ARG 23 24.161 -26.444 0.497
196 HH22 ARG 23 2HH2 ARG 23 25.069 -27.851 0.060
197 H CYS 24 H CYS 24 22.849 -24.381 2.677
198 HA CYS 24 HA CYS 24 20.789 -22.330 3.123
199 HB2 CYS 24 2HB CYS 24 22.914 -22.573 0.988
200 HB3 CYS 24 3HB CYS 24 21.631 -21.370 0.952
201 HG CYS 24 HG CYS 24 23.620 -19.847 1.847
Start of MODEL 9
1 H1 SER 1 H SER 1 1.587 2.918 -3.061
2 HA SER 1 HA SER 1 4.436 2.508 -2.870
3 HB2 SER 1 2HB SER 1 4.125 2.794 -0.476
4 HB3 SER 1 3HB SER 1 3.209 4.034 -1.332
5 HG SER 1 HG SER 1 1.899 3.155 0.247
6 H ARG 2 H ARG 2 3.985 0.360 -4.086
7 HA ARG 2 HA ARG 2 3.251 -1.792 -2.245
8 HB2 ARG 2 2HB ARG 2 3.496 -1.556 -5.213
9 HB3 ARG 2 3HB ARG 2 3.685 -3.141 -4.475
10 HG2 ARG 2 2HG ARG 2 1.427 -2.993 -5.083
11 HG3 ARG 2 3HG ARG 2 1.460 -2.723 -3.339
12 HD2 ARG 2 2HD ARG 2 1.224 -0.360 -3.635
13 HD3 ARG 2 3HD ARG 2 1.432 -0.507 -5.379
14 HE ARG 2 HE ARG 2 -0.974 -0.974 -3.872
15 HH11 ARG 2 1HH1 ARG 2 0.744 -1.648 -6.824
16 HH12 ARG 2 2HH1 ARG 2 -0.688 -2.013 -7.728
17 HH21 ARG 2 1HH2 ARG 2 -2.867 -1.453 -5.051
18 HH22 ARG 2 2HH2 ARG 2 -2.742 -1.901 -6.718
19 H SER 3 H SER 3 5.086 -1.791 -0.915
20 HA SER 3 HA SER 3 7.658 -2.382 -2.184
21 HB2 SER 3 2HB SER 3 8.702 -1.689 -0.203
22 HB3 SER 3 3HB SER 3 7.318 -0.603 -0.326
23 HG SER 3 HG SER 3 7.919 -2.337 1.622
24 H SER 4 H SER 4 5.381 -4.294 -1.934
25 HA SER 4 HA SER 4 6.476 -6.294 -0.104
26 HB2 SER 4 2HB SER 4 3.992 -5.766 -0.201
27 HB3 SER 4 3HB SER 4 3.978 -6.539 -1.787
28 HG SER 4 HG SER 4 4.051 -7.661 0.698
29 H LEU 5 H LEU 5 6.562 -5.435 -3.381
30 HA LEU 5 HA LEU 5 7.572 -8.109 -4.097
31 HB2 LEU 5 2HB LEU 5 6.918 -7.534 -6.439
32 HB3 LEU 5 3HB LEU 5 5.575 -7.759 -5.320
33 HG LEU 5 HG LEU 5 5.957 -5.057 -5.200
34 HD11 LEU 5 1HD1 LEU 5 6.779 -4.177 -7.081
35 HD12 LEU 5 2HD1 LEU 5 5.946 -5.347 -8.103
36 HD13 LEU 5 3HD1 LEU 5 7.487 -5.769 -7.356
37 HD21 LEU 5 3HD2 LEU 5 3.781 -5.726 -5.381
38 HD22 LEU 5 1HD2 LEU 5 4.123 -6.867 -6.683
39 HD23 LEU 5 2HD2 LEU 5 4.049 -5.137 -7.023
40 H ARG 6 H ARG 6 7.849 -4.637 -4.804
41 HA ARG 6 HA ARG 6 10.348 -4.940 -6.175
42 HB2 ARG 6 2HB ARG 6 8.553 -2.708 -5.435
43 HB3 ARG 6 3HB ARG 6 10.256 -2.299 -5.595
44 HG2 ARG 6 2HG ARG 6 8.739 -3.770 -7.728
45 HG3 ARG 6 3HG ARG 6 8.827 -2.009 -7.654
46 HD2 ARG 6 2HD ARG 6 11.319 -2.217 -7.668
47 HD3 ARG 6 3HD ARG 6 11.117 -3.945 -7.953
48 HE ARG 6 HE ARG 6 10.672 -3.479 -10.141
49 HH11 ARG 6 1HH1 ARG 6 10.202 -0.584 -8.265
50 HH12 ARG 6 2HH1 ARG 6 9.932 0.424 -9.648
51 HH21 ARG 6 1HH2 ARG 6 10.318 -2.162 -11.969
52 HH22 ARG 6 2HH2 ARG 6 9.998 -0.474 -11.754
53 H SER 7 H SER 7 9.550 -5.155 -2.983
54 HA SER 7 HA SER 7 12.247 -4.311 -2.150
55 HB2 SER 7 2HB SER 7 9.735 -3.347 -1.204
56 HB3 SER 7 3HB SER 7 10.487 -4.272 0.096
57 HG SER 7 HG SER 7 12.074 -2.850 0.215
58 H ARG 8 H ARG 8 10.046 -6.817 -2.449
59 HA ARG 8 HA ARG 8 10.480 -8.387 -0.188
60 HB2 ARG 8 2HB ARG 8 8.791 -9.215 -1.517
61 HB3 ARG 8 3HB ARG 8 9.685 -8.943 -3.007
62 HG2 ARG 8 2HG ARG 8 10.745 -10.979 -1.135
63 HG3 ARG 8 3HG ARG 8 9.267 -11.365 -2.018
64 HD2 ARG 8 2HD ARG 8 11.459 -10.184 -3.601
65 HD3 ARG 8 3HD ARG 8 11.743 -11.808 -2.977
66 HE ARG 8 HE ARG 8 9.946 -11.056 -5.075
67 HH11 ARG 8 1HH1 ARG 8 10.552 -13.386 -2.561
68 HH12 ARG 8 2HH1 ARG 8 9.651 -14.649 -3.334
69 HH21 ARG 8 1HH2 ARG 8 8.758 -12.710 -6.103
70 HH22 ARG 8 2HH2 ARG 8 8.632 -14.263 -5.349
71 H TRP 9 H TRP 9 12.432 -7.937 -3.067
72 HA TRP 9 HA TRP 9 14.231 -10.088 -2.524
73 HB2 TRP 9 2HB TRP 9 15.021 -7.724 -4.182
74 HB3 TRP 9 3HB TRP 9 15.372 -9.432 -4.433
75 HD1 TRP 9 HD1 TRP 9 12.860 -6.748 -5.294
76 HE1 TRP 9 HE1 TRP 9 11.103 -7.712 -6.910
77 HE3 TRP 9 HE3 TRP 9 14.113 -11.696 -4.999
78 HZ2 TRP 9 HZ2 TRP 9 10.348 -10.235 -7.925
79 HZ3 TRP 9 HZ3 TRP 9 12.823 -13.320 -6.324
80 HH2 TRP 9 HH2 TRP 9 10.980 -12.603 -7.755
81 H GLY 10 H GLY 10 13.745 -7.181 -0.997
82 HA2 GLY 10 2HA GLY 10 16.442 -6.397 -0.481
83 HA3 GLY 10 3HA GLY 10 15.017 -5.854 0.392
84 H ARG 11 H ARG 11 14.006 -8.011 1.565
85 HA ARG 11 HA ARG 11 16.082 -8.711 3.481
86 HB2 ARG 11 2HB ARG 11 13.722 -7.875 4.078
87 HB3 ARG 11 3HB ARG 11 13.183 -9.495 3.659
88 HG2 ARG 11 2HG ARG 11 15.046 -10.236 5.330
89 HG3 ARG 11 3HG ARG 11 14.869 -8.589 5.940
90 HD2 ARG 11 2HD ARG 11 12.730 -10.701 5.729
91 HD3 ARG 11 3HD ARG 11 13.431 -10.037 7.204
92 HE ARG 11 HE ARG 11 11.329 -8.902 5.640
93 HH11 ARG 11 1HH1 ARG 11 14.001 -8.140 7.736
94 HH12 ARG 11 2HH1 ARG 11 13.333 -6.627 8.254
95 HH21 ARG 11 1HH2 ARG 11 10.438 -6.913 6.314
96 HH22 ARG 11 2HH2 ARG 11 11.306 -5.931 7.445
97 H PHE 12 H PHE 12 14.120 -10.182 1.008
98 HA PHE 12 HA PHE 12 14.424 -12.879 1.749
99 HB2 PHE 12 2HB PHE 12 12.806 -11.978 0.043
100 HB3 PHE 12 3HB PHE 12 14.162 -11.817 -1.068
101 HD1 PHE 12 HD1 PHE 12 13.012 -14.481 1.281
102 HD2 PHE 12 HD2 PHE 12 14.128 -13.430 -2.689
103 HE1 PHE 12 HE1 PHE 12 12.708 -16.820 0.581
104 HE2 PHE 12 HE2 PHE 12 13.826 -15.767 -3.397
105 HZ PHE 12 HZ PHE 12 13.114 -17.465 -1.761
106 H LEU 13 H LEU 13 16.331 -10.815 -0.420
107 HA LEU 13 HA LEU 13 18.138 -12.696 -1.354
108 HB2 LEU 13 2HB LEU 13 18.270 -9.755 -0.880
109 HB3 LEU 13 3HB LEU 13 19.741 -10.618 -1.323
110 HG LEU 13 HG LEU 13 18.135 -9.461 -3.113
111 HD11 LEU 13 1HD1 LEU 13 19.724 -10.264 -4.431
112 HD12 LEU 13 2HD1 LEU 13 19.043 -11.886 -4.312
113 HD13 LEU 13 3HD1 LEU 13 20.234 -11.341 -3.131
114 HD21 LEU 13 3HD2 LEU 13 16.660 -11.036 -4.155
115 HD22 LEU 13 1HD2 LEU 13 16.227 -10.914 -2.449
116 HD23 LEU 13 2HD2 LEU 13 17.143 -12.306 -3.029
117 H LEU 14 H LEU 14 18.127 -10.911 1.682
118 HA LEU 14 HA LEU 14 20.696 -11.556 2.575
119 HB2 LEU 14 2HB LEU 14 18.148 -10.749 3.864
120 HB3 LEU 14 3HB LEU 14 19.405 -11.425 4.897
121 HG LEU 14 HG LEU 14 20.949 -9.654 4.057
122 HD11 LEU 14 1HD1 LEU 14 20.369 -8.534 2.232
123 HD12 LEU 14 2HD1 LEU 14 19.138 -7.716 3.195
124 HD13 LEU 14 3HD1 LEU 14 18.726 -9.173 2.291
125 HD21 LEU 14 3HD2 LEU 14 20.196 -9.079 6.126
126 HD22 LEU 14 1HD2 LEU 14 18.499 -9.152 5.653
127 HD23 LEU 14 2HD2 LEU 14 19.481 -7.760 5.198
128 H GLN 15 H GLN 15 17.884 -13.502 2.258
129 HA GLN 15 HA GLN 15 18.715 -15.506 4.160
130 HB2 GLN 15 2HB GLN 15 16.558 -15.615 2.045
131 HB3 GLN 15 3HB GLN 15 16.782 -16.774 3.348
132 HG2 GLN 15 2HG GLN 15 16.452 -14.834 4.941
133 HG3 GLN 15 3HG GLN 15 15.910 -13.910 3.541
134 HE21 GLN 15 1HE2 GLN 15 14.510 -15.825 2.159
135 HE22 GLN 15 2HE2 GLN 15 13.122 -16.297 3.073
136 H ARG 16 H ARG 16 19.607 -14.687 1.040
137 HA ARG 16 HA ARG 16 20.577 -17.421 0.516
138 HB2 ARG 16 2HB ARG 16 20.422 -17.002 -1.842
139 HB3 ARG 16 3HB ARG 16 18.876 -16.586 -1.114
140 HG2 ARG 16 2HG ARG 16 19.228 -14.298 -1.378
141 HG3 ARG 16 3HG ARG 16 20.966 -14.501 -1.608
142 HD2 ARG 16 2HD ARG 16 19.931 -13.991 -3.726
143 HD3 ARG 16 3HD ARG 16 20.514 -15.655 -3.744
144 HE ARG 16 HE ARG 16 17.795 -15.539 -2.944
145 HH11 ARG 16 1HH1 ARG 16 19.866 -15.312 -5.733
146 HH12 ARG 16 2HH1 ARG 16 18.650 -15.851 -6.842
147 HH21 ARG 16 1HH2 ARG 16 16.185 -16.250 -4.395
148 HH22 ARG 16 2HH2 ARG 16 16.556 -16.384 -6.080
149 H GLY 17 H GLY 17 21.398 -14.158 1.064
150 HA2 GLY 17 2HA GLY 17 24.171 -14.688 0.185
151 HA3 GLY 17 3HA GLY 17 23.432 -13.094 0.152
152 H SER 18 H SER 18 22.132 -13.909 2.827
153 HA SER 18 HA SER 18 24.499 -13.335 4.489
154 HB2 SER 18 2HB SER 18 21.754 -12.532 5.368
155 HB3 SER 18 3HB SER 18 23.311 -11.794 5.743
156 HG SER 18 HG SER 18 23.271 -10.714 3.886
157 H TRP 19 H TRP 19 21.945 -15.465 3.870
158 HA TRP 19 HA TRP 19 22.324 -16.759 6.492
159 HB2 TRP 19 2HB TRP 19 20.020 -15.889 6.108
160 HB3 TRP 19 3HB TRP 19 19.889 -16.947 4.706
161 HD1 TRP 19 HD1 TRP 19 19.751 -19.610 5.195
162 HE1 TRP 19 HE1 TRP 19 18.948 -20.900 7.272
163 HE3 TRP 19 HE3 TRP 19 19.924 -15.820 8.622
164 HZ2 TRP 19 HZ2 TRP 19 18.453 -20.381 10.002
165 HZ3 TRP 19 HZ3 TRP 19 19.269 -16.300 10.945
166 HH2 TRP 19 HH2 TRP 19 18.549 -18.533 11.618
167 H THR 20 H THR 20 24.111 -17.953 5.712
168 HA THR 20 HA THR 20 23.574 -19.873 3.564
169 HB THR 20 HB THR 20 25.660 -18.628 3.358
170 HG1 THR 20 HG1 THR 20 27.077 -20.519 3.306
171 HG21 THR 20 3HG2 THR 20 27.254 -19.792 5.389
172 HG22 THR 20 1HG2 THR 20 25.829 -19.106 6.168
173 HG23 THR 20 2HG2 THR 20 26.857 -18.089 5.157
174 H GLY 21 H GLY 21 23.039 -19.774 6.745
175 HA2 GLY 21 2HA GLY 21 22.787 -21.347 8.399
176 HA3 GLY 21 3HA GLY 21 22.644 -22.505 7.085
177 HA PRO 22 HA PRO 22 26.492 -23.329 9.658
178 HB2 PRO 22 2HB PRO 22 25.790 -25.828 10.454
179 HB3 PRO 22 3HB PRO 22 25.362 -24.374 11.364
180 HG2 PRO 22 2HG PRO 22 23.699 -25.975 9.457
181 HG3 PRO 22 3HG PRO 22 23.246 -25.278 11.023
182 HD2 PRO 22 2HD PRO 22 22.593 -24.114 8.668
183 HD3 PRO 22 3HD PRO 22 22.926 -23.175 10.137
184 H ARG 23 H ARG 23 27.230 -23.286 7.354
185 HA ARG 23 HA ARG 23 27.059 -25.591 5.719
186 HB2 ARG 23 2HB ARG 23 27.776 -23.082 5.211
187 HB3 ARG 23 3HB ARG 23 29.384 -23.742 5.479
188 HG2 ARG 23 2HG ARG 23 27.562 -25.195 3.638
189 HG3 ARG 23 3HG ARG 23 28.289 -23.685 3.086
190 HD2 ARG 23 2HD ARG 23 30.480 -24.807 4.047
191 HD3 ARG 23 3HD ARG 23 29.568 -26.287 3.752
192 HE ARG 23 HE ARG 23 30.697 -24.516 1.779
193 HH11 ARG 23 1HH1 ARG 23 28.327 -26.984 2.419
194 HH12 ARG 23 2HH1 ARG 23 28.211 -27.485 0.765
195 HH21 ARG 23 1HH2 ARG 23 30.553 -25.166 -0.403
196 HH22 ARG 23 2HH2 ARG 23 29.478 -26.451 -0.839
197 H CYS 24 H CYS 24 28.560 -27.217 5.314
198 HA CYS 24 HA CYS 24 30.645 -27.537 7.372
199 HB2 CYS 24 2HB CYS 24 28.747 -29.536 6.173
200 HB3 CYS 24 3HB CYS 24 30.277 -30.056 6.868
201 HG CYS 24 HG CYS 24 29.303 -28.332 9.243
Start of MODEL 10
1 H1 SER 1 H SER 1 -0.616 -4.062 -2.655
2 HA SER 1 HA SER 1 1.689 -4.391 -4.083
3 HB2 SER 1 2HB SER 1 -0.424 -2.305 -4.673
4 HB3 SER 1 3HB SER 1 0.691 -3.023 -5.835
5 HG SER 1 HG SER 1 -1.447 -4.260 -4.457
6 H ARG 2 H ARG 2 2.594 -3.170 -1.787
7 HA ARG 2 HA ARG 2 3.925 -0.820 -2.908
8 HB2 ARG 2 2HB ARG 2 2.752 -0.826 -0.124
9 HB3 ARG 2 3HB ARG 2 3.585 0.503 -0.918
10 HG2 ARG 2 2HG ARG 2 1.718 0.414 -2.652
11 HG3 ARG 2 3HG ARG 2 0.860 -0.602 -1.493
12 HD2 ARG 2 2HD ARG 2 1.431 1.318 0.179
13 HD3 ARG 2 3HD ARG 2 1.638 2.275 -1.287
14 HE ARG 2 HE ARG 2 -0.782 1.097 -1.628
15 HH11 ARG 2 1HH1 ARG 2 0.638 3.017 0.906
16 HH12 ARG 2 2HH1 ARG 2 -0.869 3.711 1.403
17 HH21 ARG 2 1HH2 ARG 2 -2.773 2.005 -0.982
18 HH22 ARG 2 2HH2 ARG 2 -2.809 3.134 0.329
19 H SER 3 H SER 3 5.979 -1.472 -2.938
20 HA SER 3 HA SER 3 8.019 -2.203 -2.248
21 HB2 SER 3 2HB SER 3 7.231 -2.167 0.628
22 HB3 SER 3 3HB SER 3 8.705 -1.581 -0.142
23 HG SER 3 HG SER 3 7.378 0.138 -1.021
24 H SER 4 H SER 4 5.775 -4.070 -2.669
25 HA SER 4 HA SER 4 6.566 -6.279 -0.898
26 HB2 SER 4 2HB SER 4 4.129 -5.965 -2.667
27 HB3 SER 4 3HB SER 4 4.487 -7.388 -1.690
28 HG SER 4 HG SER 4 4.634 -5.623 0.064
29 H LEU 5 H LEU 5 6.916 -5.075 -4.046
30 HA LEU 5 HA LEU 5 7.905 -7.692 -4.972
31 HB2 LEU 5 2HB LEU 5 7.435 -6.640 -7.302
32 HB3 LEU 5 3HB LEU 5 6.124 -7.372 -6.381
33 HG LEU 5 HG LEU 5 6.393 -4.529 -5.841
34 HD11 LEU 5 1HD1 LEU 5 7.196 -4.682 -8.233
35 HD12 LEU 5 2HD1 LEU 5 5.793 -3.653 -7.947
36 HD13 LEU 5 3HD1 LEU 5 5.580 -5.260 -8.641
37 HD21 LEU 5 3HD2 LEU 5 4.473 -6.304 -5.494
38 HD22 LEU 5 1HD2 LEU 5 4.023 -5.791 -7.120
39 HD23 LEU 5 2HD2 LEU 5 4.109 -4.607 -5.815
40 H ARG 6 H ARG 6 8.246 -4.174 -5.362
41 HA ARG 6 HA ARG 6 10.815 -4.391 -6.613
42 HB2 ARG 6 2HB ARG 6 8.902 -2.419 -6.442
43 HB3 ARG 6 3HB ARG 6 10.169 -1.812 -5.384
44 HG2 ARG 6 2HG ARG 6 11.111 -0.993 -7.221
45 HG3 ARG 6 3HG ARG 6 11.558 -2.657 -7.604
46 HD2 ARG 6 2HD ARG 6 9.975 -2.854 -9.212
47 HD3 ARG 6 3HD ARG 6 8.825 -1.828 -8.355
48 HE ARG 6 HE ARG 6 10.802 -0.126 -9.173
49 HH11 ARG 6 1HH1 ARG 6 8.672 -2.386 -10.747
50 HH12 ARG 6 2HH1 ARG 6 8.612 -1.496 -12.232
51 HH21 ARG 6 1HH2 ARG 6 10.732 1.054 -11.124
52 HH22 ARG 6 2HH2 ARG 6 9.785 0.460 -12.446
53 H SER 7 H SER 7 9.837 -4.856 -3.497
54 HA SER 7 HA SER 7 12.493 -4.126 -2.453
55 HB2 SER 7 2HB SER 7 11.228 -2.620 -1.259
56 HB3 SER 7 3HB SER 7 9.781 -3.626 -1.318
57 HG SER 7 HG SER 7 10.363 -3.999 0.688
58 H ARG 8 H ARG 8 10.273 -6.560 -3.066
59 HA ARG 8 HA ARG 8 10.565 -8.310 -0.917
60 HB2 ARG 8 2HB ARG 8 8.931 -8.980 -2.406
61 HB3 ARG 8 3HB ARG 8 9.928 -8.643 -3.815
62 HG2 ARG 8 2HG ARG 8 10.863 -10.810 -2.046
63 HG3 ARG 8 3HG ARG 8 9.378 -11.113 -2.950
64 HD2 ARG 8 2HD ARG 8 10.460 -10.770 -5.024
65 HD3 ARG 8 3HD ARG 8 11.883 -10.075 -4.249
66 HE ARG 8 HE ARG 8 12.667 -12.196 -3.841
67 HH11 ARG 8 1HH1 ARG 8 9.336 -12.352 -4.841
68 HH12 ARG 8 2HH1 ARG 8 9.334 -14.076 -5.017
69 HH21 ARG 8 1HH2 ARG 8 12.677 -14.465 -4.068
70 HH22 ARG 8 2HH2 ARG 8 11.234 -15.277 -4.576
71 H TRP 9 H TRP 9 12.664 -7.691 -3.663
72 HA TRP 9 HA TRP 9 14.409 -9.903 -3.156
73 HB2 TRP 9 2HB TRP 9 15.287 -7.482 -4.683
74 HB3 TRP 9 3HB TRP 9 15.630 -9.182 -4.991
75 HD1 TRP 9 HD1 TRP 9 13.171 -6.438 -5.824
76 HE1 TRP 9 HE1 TRP 9 11.472 -7.311 -7.549
77 HE3 TRP 9 HE3 TRP 9 14.383 -11.403 -5.714
78 HZ2 TRP 9 HZ2 TRP 9 10.742 -9.779 -8.709
79 HZ3 TRP 9 HZ3 TRP 9 13.136 -12.954 -7.161
80 HH2 TRP 9 HH2 TRP 9 11.353 -12.157 -8.627
81 H GLY 10 H GLY 10 13.877 -7.115 -1.475
82 HA2 GLY 10 2HA GLY 10 16.547 -6.325 -0.850
83 HA3 GLY 10 3HA GLY 10 15.096 -5.870 0.031
84 H ARG 11 H ARG 11 14.098 -7.976 1.155
85 HA ARG 11 HA ARG 11 16.161 -8.825 3.006
86 HB2 ARG 11 2HB ARG 11 13.816 -8.041 3.657
87 HB3 ARG 11 3HB ARG 11 13.252 -9.604 3.083
88 HG2 ARG 11 2HG ARG 11 15.113 -10.504 4.707
89 HG3 ARG 11 3HG ARG 11 14.877 -8.934 5.477
90 HD2 ARG 11 2HD ARG 11 12.632 -10.840 4.848
91 HD3 ARG 11 3HD ARG 11 13.473 -10.802 6.397
92 HE ARG 11 HE ARG 11 12.426 -8.251 5.589
93 HH11 ARG 11 1HH1 ARG 11 11.718 -11.257 7.197
94 HH12 ARG 11 2HH1 ARG 11 10.433 -10.594 8.151
95 HH21 ARG 11 1HH2 ARG 11 10.735 -7.367 6.839
96 HH22 ARG 11 2HH2 ARG 11 9.874 -8.382 7.946
97 H PHE 12 H PHE 12 14.111 -10.212 0.521
98 HA PHE 12 HA PHE 12 14.454 -12.922 1.071
99 HB2 PHE 12 2HB PHE 12 12.871 -11.970 -0.610
100 HB3 PHE 12 3HB PHE 12 14.242 -11.663 -1.671
101 HD1 PHE 12 HD2 PHE 12 15.592 -13.612 -2.501
102 HD2 PHE 12 HD1 PHE 12 11.857 -14.080 -0.514
103 HE1 PHE 12 HE2 PHE 12 15.395 -15.887 -3.415
104 HE2 PHE 12 HE1 PHE 12 11.655 -16.357 -1.423
105 HZ PHE 12 HZ PHE 12 13.425 -17.263 -2.877
106 H LEU 13 H LEU 13 16.399 -10.781 -0.995
107 HA LEU 13 HA LEU 13 18.234 -12.632 -1.933
108 HB2 LEU 13 2HB LEU 13 18.346 -9.700 -1.394
109 HB3 LEU 13 3HB LEU 13 19.824 -10.550 -1.839
110 HG LEU 13 HG LEU 13 18.240 -9.357 -3.623
111 HD11 LEU 13 1HD1 LEU 13 20.052 -10.087 -4.699
112 HD12 LEU 13 2HD1 LEU 13 19.102 -11.523 -5.074
113 HD13 LEU 13 3HD1 LEU 13 20.186 -11.523 -3.684
114 HD21 LEU 13 3HD2 LEU 13 16.320 -10.815 -3.019
115 HD22 LEU 13 1HD2 LEU 13 17.242 -12.202 -3.601
116 HD23 LEU 13 2HD2 LEU 13 16.782 -10.917 -4.719
117 H LEU 14 H LEU 14 18.148 -10.919 1.141
118 HA LEU 14 HA LEU 14 20.706 -11.554 2.070
119 HB2 LEU 14 2HB LEU 14 18.168 -11.240 3.666
120 HB3 LEU 14 3HB LEU 14 19.807 -11.164 4.310
121 HG LEU 14 HG LEU 14 18.544 -9.200 2.399
122 HD11 LEU 14 1HD1 LEU 14 19.532 -8.535 5.129
123 HD12 LEU 14 2HD1 LEU 14 17.954 -9.300 4.948
124 HD13 LEU 14 3HD1 LEU 14 18.281 -7.757 4.160
125 HD21 LEU 14 3HD2 LEU 14 21.269 -9.127 3.686
126 HD22 LEU 14 1HD2 LEU 14 20.581 -7.927 2.593
127 HD23 LEU 14 2HD2 LEU 14 20.961 -9.544 2.000
128 H GLN 15 H GLN 15 17.924 -13.524 1.652
129 HA GLN 15 HA GLN 15 18.740 -15.564 3.522
130 HB2 GLN 15 2HB GLN 15 16.637 -15.665 1.353
131 HB3 GLN 15 3HB GLN 15 16.839 -16.831 2.653
132 HG2 GLN 15 2HG GLN 15 16.385 -15.002 4.276
133 HG3 GLN 15 3HG GLN 15 16.019 -13.950 2.909
134 HE21 GLN 15 1HE2 GLN 15 14.181 -14.465 4.902
135 HE22 GLN 15 2HE2 GLN 15 12.877 -15.390 4.247
136 H ARG 16 H ARG 16 19.688 -14.661 0.441
137 HA ARG 16 HA ARG 16 20.710 -17.368 -0.121
138 HB2 ARG 16 2HB ARG 16 20.600 -16.897 -2.474
139 HB3 ARG 16 3HB ARG 16 19.031 -16.531 -1.769
140 HG2 ARG 16 2HG ARG 16 19.343 -14.229 -1.969
141 HG3 ARG 16 3HG ARG 16 21.088 -14.393 -2.174
142 HD2 ARG 16 2HD ARG 16 19.104 -15.487 -4.153
143 HD3 ARG 16 3HD ARG 16 19.746 -13.848 -4.256
144 HE ARG 16 HE ARG 16 21.072 -16.250 -5.008
145 HH11 ARG 16 1HH1 ARG 16 21.599 -13.078 -3.675
146 HH12 ARG 16 2HH1 ARG 16 23.235 -12.972 -4.234
147 HH21 ARG 16 1HH2 ARG 16 23.226 -16.123 -5.750
148 HH22 ARG 16 2HH2 ARG 16 24.159 -14.704 -5.415
149 H GLY 17 H GLY 17 21.470 -14.108 0.517
150 HA2 GLY 17 2HA GLY 17 24.267 -14.577 -0.315
151 HA3 GLY 17 3HA GLY 17 23.506 -12.994 -0.333
152 H SER 18 H SER 18 22.160 -13.872 2.296
153 HA SER 18 HA SER 18 24.482 -13.297 4.019
154 HB2 SER 18 2HB SER 18 21.702 -12.558 4.847
155 HB3 SER 18 3HB SER 18 23.237 -11.808 5.284
156 HG SER 18 HG SER 18 23.067 -10.540 3.619
157 H TRP 19 H TRP 19 21.980 -15.458 3.304
158 HA TRP 19 HA TRP 19 22.325 -16.797 5.908
159 HB2 TRP 19 2HB TRP 19 20.015 -15.962 5.491
160 HB3 TRP 19 3HB TRP 19 19.935 -16.992 4.064
161 HD1 TRP 19 HD1 TRP 19 19.840 -19.668 4.493
162 HE1 TRP 19 HE1 TRP 19 19.013 -21.017 6.523
163 HE3 TRP 19 HE3 TRP 19 19.855 -15.948 8.001
164 HZ2 TRP 19 HZ2 TRP 19 18.442 -20.564 9.250
165 HZ3 TRP 19 HZ3 TRP 19 19.154 -16.489 10.296
166 HH2 TRP 19 HH2 TRP 19 18.462 -18.750 10.906
167 H THR 20 H THR 20 24.147 -17.950 5.154
168 HA THR 20 HA THR 20 23.694 -19.836 2.957
169 HB THR 20 HB THR 20 25.760 -18.544 2.820
170 HG1 THR 20 HG1 THR 20 26.170 -20.462 1.929
171 HG21 THR 20 3HG2 THR 20 27.550 -18.869 4.475
172 HG22 THR 20 1HG2 THR 20 26.455 -19.838 5.460
173 HG23 THR 20 2HG2 THR 20 26.123 -18.126 5.195
174 H GLY 21 H GLY 21 23.052 -19.819 6.105
175 HA2 GLY 21 2HA GLY 21 22.795 -21.425 7.726
176 HA3 GLY 21 3HA GLY 21 22.731 -22.564 6.389
177 HA PRO 22 HA PRO 22 26.506 -23.341 9.075
178 HB2 PRO 22 2HB PRO 22 25.859 -25.887 9.761
179 HB3 PRO 22 3HB PRO 22 25.344 -24.479 10.698
180 HG2 PRO 22 2HG PRO 22 23.816 -26.069 8.674
181 HG3 PRO 22 3HG PRO 22 23.276 -25.441 10.242
182 HD2 PRO 22 2HD PRO 22 22.679 -24.220 7.899
183 HD3 PRO 22 3HD PRO 22 22.920 -23.321 9.411
184 H ARG 23 H ARG 23 27.901 -25.466 8.884
185 HA ARG 23 HA ARG 23 29.231 -26.736 7.545
186 HB2 ARG 23 2HB ARG 23 26.718 -27.087 5.901
187 HB3 ARG 23 3HB ARG 23 28.144 -28.114 5.855
188 HG2 ARG 23 2HG ARG 23 26.614 -27.728 8.397
189 HG3 ARG 23 3HG ARG 23 26.093 -28.901 7.185
190 HD2 ARG 23 2HD ARG 23 28.190 -30.064 7.333
191 HD3 ARG 23 3HD ARG 23 28.853 -28.822 8.394
192 HE ARG 23 HE ARG 23 27.795 -29.820 10.159
193 HH11 ARG 23 1HH1 ARG 23 26.406 -30.995 7.191
194 HH12 ARG 23 2HH1 ARG 23 25.438 -32.202 7.969
195 HH21 ARG 23 1HH2 ARG 23 26.525 -31.405 11.196
196 HH22 ARG 23 2HH2 ARG 23 25.505 -32.434 10.248
197 H CYS 24 H CYS 24 29.375 -24.005 7.098
198 HA CYS 24 HA CYS 24 29.096 -23.231 4.408
199 HB2 CYS 24 2HB CYS 24 31.030 -22.180 6.484
200 HB3 CYS 24 3HB CYS 24 30.593 -21.370 4.985
201 HG CYS 24 HG CYS 24 28.055 -22.152 7.068
Start of MODEL 11
1 H1 SER 1 H SER 1 1.904 -2.467 -8.306
2 HA SER 1 HA SER 1 3.241 -4.311 -6.614
3 HB2 SER 1 2HB SER 1 5.110 -2.533 -6.761
4 HB3 SER 1 3HB SER 1 4.597 -3.316 -8.256
5 HG SER 1 HG SER 1 4.750 -1.038 -8.473
6 H ARG 2 H ARG 2 3.234 -4.386 -4.476
7 HA ARG 2 HA ARG 2 2.813 -1.883 -2.978
8 HB2 ARG 2 2HB ARG 2 0.919 -3.636 -2.976
9 HB3 ARG 2 3HB ARG 2 1.987 -4.585 -1.950
10 HG2 ARG 2 2HG ARG 2 0.813 -3.507 -0.341
11 HG3 ARG 2 3HG ARG 2 2.086 -2.311 -0.593
12 HD2 ARG 2 2HD ARG 2 0.669 -1.002 -2.006
13 HD3 ARG 2 3HD ARG 2 -0.566 -2.260 -2.020
14 HE ARG 2 HE ARG 2 -0.205 -1.556 0.627
15 HH11 ARG 2 1HH1 ARG 2 -1.201 0.008 -2.320
16 HH12 ARG 2 2HH1 ARG 2 -2.234 1.146 -1.520
17 HH21 ARG 2 1HH2 ARG 2 -1.562 -0.063 1.691
18 HH22 ARG 2 2HH2 ARG 2 -2.438 1.105 0.761
19 H SER 3 H SER 3 5.355 -2.726 -3.694
20 HA SER 3 HA SER 3 7.426 -3.101 -2.831
21 HB2 SER 3 2HB SER 3 6.729 -1.402 -1.187
22 HB3 SER 3 3HB SER 3 6.031 -2.669 -0.177
23 HG SER 3 HG SER 3 8.402 -1.808 0.056
24 H SER 4 H SER 4 5.350 -5.296 -3.058
25 HA SER 4 HA SER 4 6.386 -7.208 -1.095
26 HB2 SER 4 2HB SER 4 4.078 -7.421 -3.043
27 HB3 SER 4 3HB SER 4 4.558 -8.685 -1.911
28 HG SER 4 HG SER 4 4.088 -7.261 -0.210
29 H LEU 5 H LEU 5 6.808 -6.252 -4.320
30 HA LEU 5 HA LEU 5 8.221 -8.767 -4.918
31 HB2 LEU 5 2HB LEU 5 7.817 -8.034 -7.358
32 HB3 LEU 5 3HB LEU 5 6.503 -8.788 -6.456
33 HG LEU 5 HG LEU 5 6.422 -5.912 -6.197
34 HD11 LEU 5 1HD1 LEU 5 7.543 -6.281 -8.495
35 HD12 LEU 5 2HD1 LEU 5 6.148 -5.208 -8.387
36 HD13 LEU 5 3HD1 LEU 5 5.952 -6.850 -8.999
37 HD21 LEU 5 3HD2 LEU 5 4.166 -6.232 -6.504
38 HD22 LEU 5 1HD2 LEU 5 4.654 -7.818 -5.907
39 HD23 LEU 5 2HD2 LEU 5 4.398 -7.567 -7.634
40 H ARG 6 H ARG 6 8.136 -5.271 -5.530
41 HA ARG 6 HA ARG 6 10.791 -5.217 -6.611
42 HB2 ARG 6 2HB ARG 6 8.724 -3.557 -6.894
43 HB3 ARG 6 3HB ARG 6 9.517 -2.744 -5.552
44 HG2 ARG 6 2HG ARG 6 11.313 -2.121 -6.805
45 HG3 ARG 6 3HG ARG 6 11.180 -3.510 -7.886
46 HD2 ARG 6 2HD ARG 6 9.409 -2.529 -9.093
47 HD3 ARG 6 3HD ARG 6 9.141 -1.304 -7.854
48 HE ARG 6 HE ARG 6 11.723 -0.942 -8.784
49 HH11 ARG 6 1HH1 ARG 6 8.487 -0.825 -10.063
50 HH12 ARG 6 2HH1 ARG 6 8.866 0.362 -11.267
51 HH21 ARG 6 1HH2 ARG 6 12.234 0.621 -10.365
52 HH22 ARG 6 2HH2 ARG 6 10.998 1.183 -11.439
53 H SER 7 H SER 7 9.667 -5.631 -3.538
54 HA SER 7 HA SER 7 12.125 -4.490 -2.380
55 HB2 SER 7 2HB SER 7 9.541 -3.685 -1.776
56 HB3 SER 7 3HB SER 7 9.935 -4.807 -0.474
57 HG SER 7 HG SER 7 11.211 -2.404 -1.198
58 H ARG 8 H ARG 8 10.265 -7.233 -2.947
59 HA ARG 8 HA ARG 8 10.665 -8.809 -0.689
60 HB2 ARG 8 2HB ARG 8 9.217 -9.746 -2.239
61 HB3 ARG 8 3HB ARG 8 10.283 -9.403 -3.596
62 HG2 ARG 8 2HG ARG 8 11.346 -11.292 -1.612
63 HG3 ARG 8 3HG ARG 8 9.936 -11.847 -2.516
64 HD2 ARG 8 2HD ARG 8 11.060 -11.456 -4.607
65 HD3 ARG 8 3HD ARG 8 12.429 -10.715 -3.777
66 HE ARG 8 HE ARG 8 13.263 -12.805 -3.421
67 HH11 ARG 8 1HH1 ARG 8 9.846 -13.068 -4.033
68 HH12 ARG 8 2HH1 ARG 8 9.846 -14.800 -4.029
69 HH21 ARG 8 1HH2 ARG 8 13.276 -15.086 -3.413
70 HH22 ARG 8 2HH2 ARG 8 11.797 -15.947 -3.675
71 H TRP 9 H TRP 9 12.794 -8.181 -3.431
72 HA TRP 9 HA TRP 9 14.788 -10.064 -2.656
73 HB2 TRP 9 2HB TRP 9 15.424 -7.661 -4.326
74 HB3 TRP 9 3HB TRP 9 16.006 -9.316 -4.484
75 HD1 TRP 9 HD1 TRP 9 13.269 -6.997 -5.655
76 HE1 TRP 9 HE1 TRP 9 11.791 -8.218 -7.372
77 HE3 TRP 9 HE3 TRP 9 15.086 -11.739 -5.062
78 HZ2 TRP 9 HZ2 TRP 9 11.442 -10.845 -8.347
79 HZ3 TRP 9 HZ3 TRP 9 14.126 -13.548 -6.425
80 HH2 TRP 9 HH2 TRP 9 12.341 -13.109 -8.032
81 H GLY 10 H GLY 10 13.837 -7.180 -1.297
82 HA2 GLY 10 2HA GLY 10 16.310 -5.993 -0.608
83 HA3 GLY 10 3HA GLY 10 14.782 -5.740 0.222
84 H ARG 11 H ARG 11 14.105 -7.849 1.496
85 HA ARG 11 HA ARG 11 16.265 -8.300 3.376
86 HB2 ARG 11 2HB ARG 11 13.847 -7.781 4.008
87 HB3 ARG 11 3HB ARG 11 13.477 -9.433 3.531
88 HG2 ARG 11 2HG ARG 11 15.280 -10.142 5.182
89 HG3 ARG 11 3HG ARG 11 15.205 -8.487 5.790
90 HD2 ARG 11 2HD ARG 11 12.855 -8.743 6.300
91 HD3 ARG 11 3HD ARG 11 12.847 -10.356 5.586
92 HE ARG 11 HE ARG 11 13.670 -11.166 7.551
93 HH11 ARG 11 1HH1 ARG 11 14.320 -7.749 7.399
94 HH12 ARG 11 2HH1 ARG 11 14.958 -7.666 9.008
95 HH21 ARG 11 1HH2 ARG 11 14.508 -11.070 9.670
96 HH22 ARG 11 2HH2 ARG 11 15.065 -9.556 10.299
97 H PHE 12 H PHE 12 14.346 -10.133 1.067
98 HA PHE 12 HA PHE 12 14.998 -12.723 1.751
99 HB2 PHE 12 2HB PHE 12 13.404 -12.355 0.015
100 HB3 PHE 12 3HB PHE 12 14.570 -11.468 -0.960
101 HD1 PHE 12 HD1 PHE 12 14.095 -14.834 0.569
102 HD2 PHE 12 HD2 PHE 12 15.601 -12.560 -2.699
103 HE1 PHE 12 HE1 PHE 12 14.691 -16.916 -0.600
104 HE2 PHE 12 HE2 PHE 12 16.198 -14.638 -3.873
105 HZ PHE 12 HZ PHE 12 15.743 -16.819 -2.825
106 H LEU 13 H LEU 13 16.836 -10.477 -0.293
107 HA LEU 13 HA LEU 13 18.886 -12.165 -1.082
108 HB2 LEU 13 2HB LEU 13 18.684 -9.226 -0.624
109 HB3 LEU 13 3HB LEU 13 20.264 -9.934 -0.954
110 HG LEU 13 HG LEU 13 18.672 -8.952 -2.862
111 HD11 LEU 13 1HD1 LEU 13 19.848 -10.915 -4.279
112 HD12 LEU 13 2HD1 LEU 13 20.781 -11.006 -2.785
113 HD13 LEU 13 3HD1 LEU 13 20.699 -9.490 -3.682
114 HD21 LEU 13 3HD2 LEU 13 17.460 -10.679 -3.996
115 HD22 LEU 13 1HD2 LEU 13 16.896 -10.614 -2.326
116 HD23 LEU 13 2HD2 LEU 13 18.002 -11.891 -2.834
117 H LEU 14 H LEU 14 18.473 -10.395 1.933
118 HA LEU 14 HA LEU 14 21.022 -10.763 3.014
119 HB2 LEU 14 2HB LEU 14 18.396 -10.685 4.491
120 HB3 LEU 14 3HB LEU 14 19.990 -10.382 5.181
121 HG LEU 14 HG LEU 14 18.563 -8.661 3.154
122 HD11 LEU 14 1HD1 LEU 14 19.360 -7.813 5.902
123 HD12 LEU 14 2HD1 LEU 14 17.872 -8.728 5.663
124 HD13 LEU 14 3HD1 LEU 14 18.093 -7.179 4.851
125 HD21 LEU 14 3HD2 LEU 14 21.000 -8.693 2.821
126 HD22 LEU 14 1HD2 LEU 14 21.223 -8.238 4.510
127 HD23 LEU 14 2HD2 LEU 14 20.425 -7.127 3.397
128 H GLN 15 H GLN 15 18.460 -12.998 2.512
129 HA GLN 15 HA GLN 15 19.377 -14.910 4.471
130 HB2 GLN 15 2HB GLN 15 17.428 -15.364 2.210
131 HB3 GLN 15 3HB GLN 15 17.612 -16.330 3.667
132 HG2 GLN 15 2HG GLN 15 16.875 -14.376 4.998
133 HG3 GLN 15 3HG GLN 15 16.579 -13.510 3.491
134 HE21 GLN 15 1HE2 GLN 15 14.455 -13.559 4.878
135 HE22 GLN 15 2HE2 GLN 15 13.331 -14.785 4.409
136 H ARG 16 H ARG 16 20.386 -13.984 1.422
137 HA ARG 16 HA ARG 16 21.662 -16.601 0.961
138 HB2 ARG 16 2HB ARG 16 21.609 -16.198 -1.398
139 HB3 ARG 16 3HB ARG 16 19.988 -15.922 -0.775
140 HG2 ARG 16 2HG ARG 16 19.996 -13.764 -1.366
141 HG3 ARG 16 3HG ARG 16 21.668 -13.527 -0.855
142 HD2 ARG 16 2HD ARG 16 22.381 -13.680 -2.953
143 HD3 ARG 16 3HD ARG 16 21.587 -15.242 -3.150
144 HE ARG 16 HE ARG 16 20.697 -12.740 -4.165
145 HH11 ARG 16 1HH1 ARG 16 19.575 -15.775 -2.882
146 HH12 ARG 16 2HH1 ARG 16 18.059 -15.717 -3.717
147 HH21 ARG 16 1HH2 ARG 16 18.704 -12.651 -5.270
148 HH22 ARG 16 2HH2 ARG 16 17.565 -13.940 -5.077
149 H GLY 17 H GLY 17 22.105 -13.278 1.570
150 HA2 GLY 17 2HA GLY 17 24.971 -13.517 0.882
151 HA3 GLY 17 3HA GLY 17 24.077 -12.007 0.780
152 H SER 18 H SER 18 22.678 -12.937 3.364
153 HA SER 18 HA SER 18 24.848 -12.114 5.183
154 HB2 SER 18 2HB SER 18 21.974 -11.613 5.853
155 HB3 SER 18 3HB SER 18 23.411 -10.714 6.341
156 HG SER 18 HG SER 18 23.388 -9.630 4.492
157 H TRP 19 H TRP 19 22.595 -14.513 4.406
158 HA TRP 19 HA TRP 19 22.930 -15.754 7.059
159 HB2 TRP 19 2HB TRP 19 20.576 -15.132 6.507
160 HB3 TRP 19 3HB TRP 19 20.655 -16.216 5.120
161 HD1 TRP 19 HD1 TRP 19 20.766 -18.871 5.649
162 HE1 TRP 19 HE1 TRP 19 19.969 -20.215 7.695
163 HE3 TRP 19 HE3 TRP 19 20.310 -15.044 9.009
164 HZ2 TRP 19 HZ2 TRP 19 19.243 -19.719 10.377
165 HZ3 TRP 19 HZ3 TRP 19 19.558 -15.563 11.293
166 HH2 TRP 19 HH2 TRP 19 19.036 -17.853 11.961
167 H THR 20 H THR 20 24.881 -16.753 6.411
168 HA THR 20 HA THR 20 24.703 -18.714 4.243
169 HB THR 20 HB THR 20 26.660 -17.266 4.178
170 HG1 THR 20 HG1 THR 20 26.738 -19.691 3.764
171 HG21 THR 20 3HG2 THR 20 27.413 -16.544 6.168
172 HG22 THR 20 1HG2 THR 20 28.333 -18.047 6.202
173 HG23 THR 20 2HG2 THR 20 26.776 -17.948 7.023
174 H GLY 21 H GLY 21 23.152 -19.487 6.305
175 HA2 GLY 21 2HA GLY 21 24.269 -20.903 8.409
176 HA3 GLY 21 3HA GLY 21 22.742 -21.310 7.639
177 HA PRO 22 HA PRO 22 25.976 -24.677 6.974
178 HB2 PRO 22 2HB PRO 22 24.692 -26.629 8.355
179 HB3 PRO 22 3HB PRO 22 25.850 -25.525 9.105
180 HG2 PRO 22 2HG PRO 22 22.859 -25.422 9.110
181 HG3 PRO 22 3HG PRO 22 23.990 -25.133 10.445
182 HD2 PRO 22 2HD PRO 22 22.816 -23.119 9.068
183 HD3 PRO 22 3HD PRO 22 24.446 -22.981 9.758
184 H ARG 23 H ARG 23 25.152 -24.468 4.796
185 HA ARG 23 HA ARG 23 24.158 -25.285 2.921
186 HB2 ARG 23 2HB ARG 23 23.250 -27.625 4.593
187 HB3 ARG 23 3HB ARG 23 23.537 -27.586 2.859
188 HG2 ARG 23 2HG ARG 23 25.624 -27.359 5.018
189 HG3 ARG 23 3HG ARG 23 25.323 -28.759 3.987
190 HD2 ARG 23 2HD ARG 23 25.859 -27.344 2.014
191 HD3 ARG 23 3HD ARG 23 26.294 -26.040 3.118
192 HE ARG 23 HE ARG 23 28.279 -27.101 3.528
193 HH11 ARG 23 1HH1 ARG 23 26.078 -29.346 2.032
194 HH12 ARG 23 2HH1 ARG 23 27.272 -30.585 1.833
195 HH21 ARG 23 1HH2 ARG 23 29.860 -28.725 3.271
196 HH22 ARG 23 2HH2 ARG 23 29.423 -30.231 2.539
197 H CYS 24 H CYS 24 22.705 -23.410 4.274
198 HA CYS 24 HA CYS 24 19.939 -24.408 4.186
199 HB2 CYS 24 2HB CYS 24 21.182 -22.055 5.606
200 HB3 CYS 24 3HB CYS 24 19.442 -22.222 5.411
201 HG CYS 24 HG CYS 24 19.034 -23.999 7.263
Start of MODEL 12
1 H1 SER 1 H SER 1 2.170 -2.415 -7.971
2 HA SER 1 HA SER 1 2.592 -4.163 -5.861
3 HB2 SER 1 2HB SER 1 5.076 -3.515 -6.219
4 HB3 SER 1 3HB SER 1 4.199 -4.238 -7.567
5 HG SER 1 HG SER 1 5.005 -2.513 -8.526
6 H ARG 2 H ARG 2 2.834 -3.916 -3.742
7 HA ARG 2 HA ARG 2 3.156 -1.203 -2.680
8 HB2 ARG 2 2HB ARG 2 2.209 -3.761 -1.380
9 HB3 ARG 2 3HB ARG 2 2.414 -2.239 -0.525
10 HG2 ARG 2 2HG ARG 2 0.428 -1.515 -1.191
11 HG3 ARG 2 3HG ARG 2 0.794 -1.879 -2.878
12 HD2 ARG 2 2HD ARG 2 -0.243 -3.894 -2.810
13 HD3 ARG 2 3HD ARG 2 0.203 -4.186 -1.130
14 HE ARG 2 HE ARG 2 -2.224 -3.030 -2.082
15 HH11 ARG 2 1HH1 ARG 2 0.039 -3.020 0.564
16 HH12 ARG 2 2HH1 ARG 2 -1.131 -2.508 1.734
17 HH21 ARG 2 1HH2 ARG 2 -3.774 -2.356 -0.550
18 HH22 ARG 2 2HH2 ARG 2 -3.300 -2.131 1.100
19 H SER 3 H SER 3 5.451 -2.366 -3.744
20 HA SER 3 HA SER 3 7.646 -2.718 -3.262
21 HB2 SER 3 2HB SER 3 7.001 -1.941 -0.415
22 HB3 SER 3 3HB SER 3 8.542 -1.784 -1.257
23 HG SER 3 HG SER 3 7.785 0.189 -1.514
24 H SER 4 H SER 4 5.580 -4.821 -2.835
25 HA SER 4 HA SER 4 6.800 -6.456 -0.742
26 HB2 SER 4 2HB SER 4 4.271 -6.209 -1.019
27 HB3 SER 4 3HB SER 4 4.435 -7.212 -2.460
28 HG SER 4 HG SER 4 3.947 -8.445 -0.588
29 H LEU 5 H LEU 5 6.943 -5.988 -4.096
30 HA LEU 5 HA LEU 5 8.270 -8.597 -4.442
31 HB2 LEU 5 2HB LEU 5 7.067 -7.061 -6.712
32 HB3 LEU 5 3HB LEU 5 7.472 -8.774 -6.623
33 HG LEU 5 HG LEU 5 5.509 -8.402 -4.678
34 HD11 LEU 5 1HD1 LEU 5 4.538 -7.133 -7.217
35 HD12 LEU 5 2HD1 LEU 5 5.153 -6.174 -5.872
36 HD13 LEU 5 3HD1 LEU 5 3.744 -7.209 -5.644
37 HD21 LEU 5 3HD2 LEU 5 5.619 -10.393 -5.925
38 HD22 LEU 5 1HD2 LEU 5 5.502 -9.534 -7.462
39 HD23 LEU 5 2HD2 LEU 5 4.098 -9.634 -6.399
40 H ARG 6 H ARG 6 8.192 -5.224 -5.555
41 HA ARG 6 HA ARG 6 10.762 -5.399 -6.815
42 HB2 ARG 6 2HB ARG 6 8.672 -3.362 -6.462
43 HB3 ARG 6 3HB ARG 6 10.309 -2.720 -6.497
44 HG2 ARG 6 2HG ARG 6 9.138 -4.520 -8.608
45 HG3 ARG 6 3HG ARG 6 9.202 -2.759 -8.708
46 HD2 ARG 6 2HD ARG 6 11.656 -2.864 -8.516
47 HD3 ARG 6 3HD ARG 6 11.562 -4.624 -8.488
48 HE ARG 6 HE ARG 6 10.265 -3.599 -10.785
49 HH11 ARG 6 1HH1 ARG 6 13.428 -4.150 -9.438
50 HH12 ARG 6 2HH1 ARG 6 14.200 -4.311 -10.980
51 HH21 ARG 6 1HH2 ARG 6 11.271 -3.808 -12.822
52 HH22 ARG 6 2HH2 ARG 6 12.972 -4.115 -12.904
53 H SER 7 H SER 7 9.865 -5.330 -3.644
54 HA SER 7 HA SER 7 12.416 -4.090 -2.847
55 HB2 SER 7 2HB SER 7 9.826 -3.234 -2.142
56 HB3 SER 7 3HB SER 7 10.481 -4.025 -0.708
57 HG SER 7 HG SER 7 11.700 -1.934 -2.192
58 H ARG 8 H ARG 8 10.506 -6.846 -2.888
59 HA ARG 8 HA ARG 8 11.029 -8.077 -0.444
60 HB2 ARG 8 2HB ARG 8 9.481 -9.230 -1.707
61 HB3 ARG 8 3HB ARG 8 10.407 -9.059 -3.192
62 HG2 ARG 8 2HG ARG 8 11.587 -10.715 -1.041
63 HG3 ARG 8 3HG ARG 8 10.189 -11.364 -1.900
64 HD2 ARG 8 2HD ARG 8 12.306 -10.177 -3.577
65 HD3 ARG 8 3HD ARG 8 12.735 -11.663 -2.730
66 HE ARG 8 HE ARG 8 10.882 -11.380 -4.918
67 HH11 ARG 8 1HH1 ARG 8 11.880 -13.340 -2.220
68 HH12 ARG 8 2HH1 ARG 8 11.203 -14.800 -2.862
69 HH21 ARG 8 1HH2 ARG 8 9.987 -13.295 -5.775
70 HH22 ARG 8 2HH2 ARG 8 10.128 -14.774 -4.885
71 H TRP 9 H TRP 9 13.011 -7.789 -3.329
72 HA TRP 9 HA TRP 9 15.015 -9.634 -2.469
73 HB2 TRP 9 2HB TRP 9 15.583 -7.441 -4.429
74 HB3 TRP 9 3HB TRP 9 16.141 -9.111 -4.431
75 HD1 TRP 9 HD1 TRP 9 13.356 -6.898 -5.697
76 HE1 TRP 9 HE1 TRP 9 11.779 -8.281 -7.188
77 HE3 TRP 9 HE3 TRP 9 15.179 -11.568 -4.695
78 HZ2 TRP 9 HZ2 TRP 9 11.362 -10.993 -7.851
79 HZ3 TRP 9 HZ3 TRP 9 14.135 -13.504 -5.798
80 HH2 TRP 9 HH2 TRP 9 12.266 -13.220 -7.342
81 H GLY 10 H GLY 10 14.167 -6.643 -1.334
82 HA2 GLY 10 2HA GLY 10 16.746 -5.488 -0.904
83 HA3 GLY 10 3HA GLY 10 15.246 -5.001 -0.129
84 H ARG 11 H ARG 11 14.479 -7.208 1.237
85 HA ARG 11 HA ARG 11 16.582 -7.396 3.262
86 HB2 ARG 11 2HB ARG 11 14.162 -6.682 3.763
87 HB3 ARG 11 3HB ARG 11 13.753 -8.380 3.558
88 HG2 ARG 11 2HG ARG 11 14.913 -9.025 5.451
89 HG3 ARG 11 3HG ARG 11 15.924 -7.578 5.446
90 HD2 ARG 11 2HD ARG 11 14.497 -7.064 7.158
91 HD3 ARG 11 3HD ARG 11 13.614 -6.369 5.799
92 HE ARG 11 HE ARG 11 12.798 -9.031 6.156
93 HH11 ARG 11 1HH1 ARG 11 12.585 -5.930 7.723
94 HH12 ARG 11 2HH1 ARG 11 11.073 -6.277 8.494
95 HH21 ARG 11 1HH2 ARG 11 10.806 -9.500 7.164
96 HH22 ARG 11 2HH2 ARG 11 10.062 -8.308 8.176
97 H PHE 12 H PHE 12 14.565 -9.402 1.190
98 HA PHE 12 HA PHE 12 15.099 -11.913 2.212
99 HB2 PHE 12 2HB PHE 12 13.503 -11.415 0.364
100 HB3 PHE 12 3HB PHE 12 14.874 -11.208 -0.721
101 HD1 PHE 12 HD1 PHE 12 13.902 -13.747 1.839
102 HD2 PHE 12 HD2 PHE 12 15.112 -12.964 -2.165
103 HE1 PHE 12 HE1 PHE 12 13.883 -16.162 1.365
104 HE2 PHE 12 HE2 PHE 12 15.094 -15.377 -2.646
105 HZ PHE 12 HZ PHE 12 14.479 -16.979 -0.880
106 H LEU 13 H LEU 13 17.066 -9.917 0.076
107 HA LEU 13 HA LEU 13 18.989 -11.774 -0.679
108 HB2 LEU 13 2HB LEU 13 18.970 -8.818 -0.323
109 HB3 LEU 13 3HB LEU 13 20.514 -9.626 -0.587
110 HG LEU 13 HG LEU 13 19.021 -8.628 -2.569
111 HD11 LEU 13 1HD1 LEU 13 21.070 -10.694 -2.335
112 HD12 LEU 13 2HD1 LEU 13 20.975 -9.304 -3.415
113 HD13 LEU 13 3HD1 LEU 13 20.123 -10.794 -3.820
114 HD21 LEU 13 3HD2 LEU 13 17.726 -10.306 -3.662
115 HD22 LEU 13 1HD2 LEU 13 17.155 -10.193 -1.997
116 HD23 LEU 13 2HD2 LEU 13 18.203 -11.526 -2.481
117 H LEU 14 H LEU 14 18.417 -10.319 2.387
118 HA LEU 14 HA LEU 14 21.009 -10.604 3.497
119 HB2 LEU 14 2HB LEU 14 20.102 -9.828 5.418
120 HB3 LEU 14 3HB LEU 14 18.825 -9.336 4.308
121 HG LEU 14 HG LEU 14 17.833 -11.699 4.973
122 HD11 LEU 14 1HD1 LEU 14 18.522 -12.619 6.910
123 HD12 LEU 14 2HD1 LEU 14 18.897 -11.060 7.644
124 HD13 LEU 14 3HD1 LEU 14 20.035 -11.801 6.519
125 HD21 LEU 14 3HD2 LEU 14 17.344 -9.866 7.167
126 HD22 LEU 14 1HD2 LEU 14 16.252 -10.438 5.906
127 HD23 LEU 14 2HD2 LEU 14 17.305 -9.057 5.599
128 H GLN 15 H GLN 15 18.419 -12.814 2.915
129 HA GLN 15 HA GLN 15 19.359 -14.805 4.780
130 HB2 GLN 15 2HB GLN 15 17.340 -15.083 2.549
131 HB3 GLN 15 3HB GLN 15 17.590 -16.208 3.877
132 HG2 GLN 15 2HG GLN 15 16.970 -14.320 5.430
133 HG3 GLN 15 3HG GLN 15 16.459 -13.431 3.996
134 HE21 GLN 15 1HE2 GLN 15 14.313 -13.361 4.504
135 HE22 GLN 15 2HE2 GLN 15 13.298 -14.758 4.539
136 H ARG 16 H ARG 16 20.353 -13.759 1.777
137 HA ARG 16 HA ARG 16 21.581 -16.370 1.176
138 HB2 ARG 16 2HB ARG 16 21.484 -15.890 -1.151
139 HB3 ARG 16 3HB ARG 16 19.889 -15.534 -0.501
140 HG2 ARG 16 2HG ARG 16 20.313 -13.185 -0.559
141 HG3 ARG 16 3HG ARG 16 22.006 -13.451 -0.980
142 HD2 ARG 16 2HD ARG 16 19.785 -14.470 -2.719
143 HD3 ARG 16 3HD ARG 16 20.362 -12.810 -2.852
144 HE ARG 16 HE ARG 16 22.635 -14.250 -3.027
145 HH11 ARG 16 1HH1 ARG 16 19.575 -14.438 -4.677
146 HH12 ARG 16 2HH1 ARG 16 20.256 -15.060 -6.143
147 HH21 ARG 16 1HH2 ARG 16 23.544 -15.068 -4.953
148 HH22 ARG 16 2HH2 ARG 16 22.514 -15.419 -6.299
149 H GLY 17 H GLY 17 22.080 -13.085 1.934
150 HA2 GLY 17 2HA GLY 17 24.938 -13.339 1.220
151 HA3 GLY 17 3HA GLY 17 24.069 -11.812 1.186
152 H SER 18 H SER 18 22.666 -12.827 3.736
153 HA SER 18 HA SER 18 24.855 -12.110 5.575
154 HB2 SER 18 2HB SER 18 21.993 -11.609 6.288
155 HB3 SER 18 3HB SER 18 23.442 -10.744 6.799
156 HG SER 18 HG SER 18 23.014 -9.396 5.260
157 H TRP 19 H TRP 19 22.568 -14.448 4.713
158 HA TRP 19 HA TRP 19 22.910 -15.808 7.305
159 HB2 TRP 19 2HB TRP 19 20.559 -15.129 6.801
160 HB3 TRP 19 3HB TRP 19 20.610 -16.159 5.373
161 HD1 TRP 19 HD1 TRP 19 20.684 -18.832 5.796
162 HE1 TRP 19 HE1 TRP 19 19.891 -20.245 7.796
163 HE3 TRP 19 HE3 TRP 19 20.328 -15.136 9.310
164 HZ2 TRP 19 HZ2 TRP 19 19.205 -19.845 10.505
165 HZ3 TRP 19 HZ3 TRP 19 19.596 -15.734 11.581
166 HH2 TRP 19 HH2 TRP 19 19.046 -18.040 12.164
167 H THR 20 H THR 20 24.845 -16.796 6.586
168 HA THR 20 HA THR 20 24.627 -18.648 4.330
169 HB THR 20 HB THR 20 26.613 -17.236 4.350
170 HG1 THR 20 HG1 THR 20 28.070 -18.892 4.013
171 HG21 THR 20 3HG2 THR 20 26.781 -16.879 6.770
172 HG22 THR 20 1HG2 THR 20 28.308 -17.452 6.101
173 HG23 THR 20 2HG2 THR 20 27.261 -18.561 6.986
174 H GLY 21 H GLY 21 23.084 -19.406 6.479
175 HA2 GLY 21 2HA GLY 21 24.202 -20.999 8.439
176 HA3 GLY 21 3HA GLY 21 22.627 -21.288 7.715
177 HA PRO 22 HA PRO 22 25.706 -24.737 6.716
178 HB2 PRO 22 2HB PRO 22 24.500 -26.697 8.156
179 HB3 PRO 22 3HB PRO 22 25.753 -25.646 8.826
180 HG2 PRO 22 2HG PRO 22 22.779 -25.467 9.112
181 HG3 PRO 22 3HG PRO 22 24.036 -25.247 10.343
182 HD2 PRO 22 2HD PRO 22 22.798 -23.163 9.137
183 HD3 PRO 22 3HD PRO 22 24.487 -23.087 9.676
184 H ARG 23 H ARG 23 25.240 -25.464 4.744
185 HA ARG 23 HA ARG 23 22.578 -26.621 4.262
186 HB2 ARG 23 2HB ARG 23 22.430 -25.608 2.113
187 HB3 ARG 23 3HB ARG 23 22.842 -24.329 3.247
188 HG2 ARG 23 2HG ARG 23 25.299 -24.946 2.511
189 HG3 ARG 23 3HG ARG 23 24.462 -25.536 1.074
190 HD2 ARG 23 2HD ARG 23 23.573 -23.407 0.593
191 HD3 ARG 23 3HD ARG 23 23.980 -22.791 2.194
192 HE ARG 23 HE ARG 23 26.339 -23.565 0.884
193 HH11 ARG 23 1HH1 ARG 23 23.855 -21.131 0.721
194 HH12 ARG 23 2HH1 ARG 23 24.895 -19.931 0.029
195 HH21 ARG 23 1HH2 ARG 23 27.717 -21.993 -0.028
196 HH22 ARG 23 2HH2 ARG 23 27.091 -20.423 -0.398
197 H CYS 24 H CYS 24 22.503 -28.234 2.587
198 HA CYS 24 HA CYS 24 24.862 -29.889 2.588
199 HB2 CYS 24 2HB CYS 24 22.047 -30.212 1.602
200 HB3 CYS 24 3HB CYS 24 23.293 -31.343 1.090
201 HG CYS 24 HG CYS 24 22.572 -32.862 3.060
Start of MODEL 13
1 H1 SER 1 H SER 1 1.286 1.822 -2.926
2 HA SER 1 HA SER 1 4.082 1.501 -2.911
3 HB2 SER 1 2HB SER 1 2.475 0.947 -0.448
4 HB3 SER 1 3HB SER 1 3.969 1.867 -0.627
5 HG SER 1 HG SER 1 2.621 3.426 -1.812
6 H ARG 2 H ARG 2 3.569 -0.595 -4.344
7 HA ARG 2 HA ARG 2 3.082 -2.997 -2.871
8 HB2 ARG 2 2HB ARG 2 3.822 -2.305 -5.667
9 HB3 ARG 2 3HB ARG 2 4.193 -3.933 -5.114
10 HG2 ARG 2 2HG ARG 2 1.859 -4.293 -4.543
11 HG3 ARG 2 3HG ARG 2 1.472 -2.645 -5.041
12 HD2 ARG 2 2HD ARG 2 2.849 -4.426 -6.985
13 HD3 ARG 2 3HD ARG 2 1.138 -4.704 -6.665
14 HE ARG 2 HE ARG 2 1.740 -1.962 -7.236
15 HH11 ARG 2 1HH1 ARG 2 1.069 -5.075 -8.644
16 HH12 ARG 2 2HH1 ARG 2 0.468 -4.419 -10.130
17 HH21 ARG 2 1HH2 ARG 2 0.951 -1.086 -9.189
18 HH22 ARG 2 2HH2 ARG 2 0.402 -2.150 -10.440
19 H SER 3 H SER 3 4.655 -2.721 -1.166
20 HA SER 3 HA SER 3 7.453 -3.061 -1.952
21 HB2 SER 3 2HB SER 3 6.588 -2.828 0.903
22 HB3 SER 3 3HB SER 3 8.056 -2.237 0.127
23 HG SER 3 HG SER 3 6.425 -0.824 -1.058
24 H SER 4 H SER 4 5.421 -5.192 -2.189
25 HA SER 4 HA SER 4 6.453 -7.137 -0.240
26 HB2 SER 4 2HB SER 4 3.992 -7.253 -2.001
27 HB3 SER 4 3HB SER 4 4.504 -8.529 -0.896
28 HG SER 4 HG SER 4 4.466 -6.557 0.658
29 H LEU 5 H LEU 5 6.660 -6.186 -3.485
30 HA LEU 5 HA LEU 5 7.922 -8.753 -4.192
31 HB2 LEU 5 2HB LEU 5 6.565 -6.864 -6.104
32 HB3 LEU 5 3HB LEU 5 7.221 -8.458 -6.468
33 HG LEU 5 HG LEU 5 4.797 -7.861 -4.773
34 HD11 LEU 5 1HD1 LEU 5 3.595 -9.028 -6.571
35 HD12 LEU 5 2HD1 LEU 5 5.095 -9.128 -7.492
36 HD13 LEU 5 3HD1 LEU 5 4.382 -7.555 -7.138
37 HD21 LEU 5 3HD2 LEU 5 6.405 -10.321 -5.201
38 HD22 LEU 5 1HD2 LEU 5 4.649 -10.479 -5.144
39 HD23 LEU 5 2HD2 LEU 5 5.516 -9.780 -3.776
40 H ARG 6 H ARG 6 7.881 -5.268 -4.901
41 HA ARG 6 HA ARG 6 10.458 -5.320 -6.153
42 HB2 ARG 6 2HB ARG 6 8.684 -3.658 -6.707
43 HB3 ARG 6 3HB ARG 6 8.908 -2.942 -5.116
44 HG2 ARG 6 2HG ARG 6 10.547 -1.682 -5.894
45 HG3 ARG 6 3HG ARG 6 11.446 -3.119 -6.384
46 HD2 ARG 6 2HD ARG 6 10.789 -2.956 -8.548
47 HD3 ARG 6 3HD ARG 6 9.204 -2.308 -8.129
48 HE ARG 6 HE ARG 6 11.599 -0.814 -8.694
49 HH11 ARG 6 1HH1 ARG 6 8.483 -0.777 -7.142
50 HH12 ARG 6 2HH1 ARG 6 8.336 0.949 -7.188
51 HH21 ARG 6 1HH2 ARG 6 11.417 1.459 -8.760
52 HH22 ARG 6 2HH2 ARG 6 10.004 2.220 -8.109
53 H SER 7 H SER 7 9.538 -5.603 -2.997
54 HA SER 7 HA SER 7 12.101 -4.500 -2.050
55 HB2 SER 7 2HB SER 7 10.677 -3.038 -0.986
56 HB3 SER 7 3HB SER 7 9.351 -4.200 -0.934
57 HG SER 7 HG SER 7 9.960 -4.629 1.018
58 H ARG 8 H ARG 8 10.160 -7.205 -2.422
59 HA ARG 8 HA ARG 8 10.641 -8.714 -0.129
60 HB2 ARG 8 2HB ARG 8 9.090 -9.690 -1.533
61 HB3 ARG 8 3HB ARG 8 10.040 -9.370 -2.978
62 HG2 ARG 8 2HG ARG 8 11.209 -11.258 -1.035
63 HG3 ARG 8 3HG ARG 8 9.769 -11.800 -1.899
64 HD2 ARG 8 2HD ARG 8 10.813 -11.516 -4.004
65 HD3 ARG 8 3HD ARG 8 12.151 -10.611 -3.297
66 HE ARG 8 HE ARG 8 13.153 -12.595 -2.714
67 HH11 ARG 8 1HH1 ARG 8 9.865 -13.187 -3.693
68 HH12 ARG 8 2HH1 ARG 8 10.048 -14.910 -3.727
69 HH21 ARG 8 1HH2 ARG 8 13.406 -14.862 -2.755
70 HH22 ARG 8 2HH2 ARG 8 12.062 -15.861 -3.192
71 H TRP 9 H TRP 9 12.661 -8.111 -2.934
72 HA TRP 9 HA TRP 9 14.637 -10.068 -2.247
73 HB2 TRP 9 2HB TRP 9 15.246 -7.721 -4.003
74 HB3 TRP 9 3HB TRP 9 15.767 -9.397 -4.156
75 HD1 TRP 9 HD1 TRP 9 13.023 -7.019 -5.204
76 HE1 TRP 9 HE1 TRP 9 11.425 -8.224 -6.822
77 HE3 TRP 9 HE3 TRP 9 14.770 -11.793 -4.664
78 HZ2 TRP 9 HZ2 TRP 9 10.965 -10.851 -7.747
79 HZ3 TRP 9 HZ3 TRP 9 13.695 -13.594 -5.951
80 HH2 TRP 9 HH2 TRP 9 11.832 -13.131 -7.459
81 H GLY 10 H GLY 10 13.800 -7.226 -0.811
82 HA2 GLY 10 2HA GLY 10 16.370 -6.087 -0.298
83 HA3 GLY 10 3HA GLY 10 14.878 -5.712 0.552
84 H ARG 11 H ARG 11 14.122 -7.836 1.853
85 HA ARG 11 HA ARG 11 16.272 -8.272 3.755
86 HB2 ARG 11 2HB ARG 11 13.856 -7.676 4.361
87 HB3 ARG 11 3HB ARG 11 13.464 -9.342 3.957
88 HG2 ARG 11 2HG ARG 11 15.407 -9.880 5.630
89 HG3 ARG 11 3HG ARG 11 15.041 -8.264 6.236
90 HD2 ARG 11 2HD ARG 11 13.057 -10.515 5.928
91 HD3 ARG 11 3HD ARG 11 13.806 -10.013 7.443
92 HE ARG 11 HE ARG 11 12.478 -7.848 6.153
93 HH11 ARG 11 1HH1 ARG 11 11.951 -10.685 8.103
94 HH12 ARG 11 2HH1 ARG 11 10.485 -10.088 8.806
95 HH21 ARG 11 1HH2 ARG 11 10.549 -7.052 7.073
96 HH22 ARG 11 2HH2 ARG 11 9.687 -8.022 8.219
97 H PHE 12 H PHE 12 14.372 -10.082 1.432
98 HA PHE 12 HA PHE 12 14.996 -12.682 2.229
99 HB2 PHE 12 2HB PHE 12 13.302 -12.074 0.505
100 HB3 PHE 12 3HB PHE 12 14.615 -11.704 -0.608
101 HD1 PHE 12 HD2 PHE 12 16.200 -13.563 -1.255
102 HD2 PHE 12 HD1 PHE 12 12.511 -14.256 0.752
103 HE1 PHE 12 HE2 PHE 12 16.257 -15.917 -1.970
104 HE2 PHE 12 HE1 PHE 12 12.563 -16.611 0.041
105 HZ PHE 12 HZ PHE 12 14.437 -17.444 -1.323
106 H LEU 13 H LEU 13 16.711 -10.507 0.011
107 HA LEU 13 HA LEU 13 18.716 -12.253 -0.813
108 HB2 LEU 13 2HB LEU 13 18.514 -9.288 -0.554
109 HB3 LEU 13 3HB LEU 13 20.073 -10.013 -0.941
110 HG LEU 13 HG LEU 13 18.357 -9.172 -2.803
111 HD11 LEU 13 1HD1 LEU 13 20.136 -9.831 -3.951
112 HD12 LEU 13 2HD1 LEU 13 19.477 -11.467 -3.952
113 HD13 LEU 13 3HD1 LEU 13 20.594 -10.968 -2.682
114 HD21 LEU 13 3HD2 LEU 13 17.072 -10.977 -3.723
115 HD22 LEU 13 1HD2 LEU 13 16.614 -10.768 -2.033
116 HD23 LEU 13 2HD2 LEU 13 17.679 -12.094 -2.500
117 H LEU 14 H LEU 14 18.229 -10.711 2.225
118 HA LEU 14 HA LEU 14 20.904 -10.750 3.164
119 HB2 LEU 14 2HB LEU 14 18.398 -10.927 4.822
120 HB3 LEU 14 3HB LEU 14 19.982 -10.351 5.336
121 HG LEU 14 HG LEU 14 18.106 -8.979 3.412
122 HD11 LEU 14 1HD1 LEU 14 19.079 -7.933 6.045
123 HD12 LEU 14 2HD1 LEU 14 17.657 -8.971 5.943
124 HD13 LEU 14 3HD1 LEU 14 17.684 -7.427 5.092
125 HD21 LEU 14 3HD2 LEU 14 20.934 -8.404 4.226
126 HD22 LEU 14 1HD2 LEU 14 19.847 -7.112 3.717
127 HD23 LEU 14 2HD2 LEU 14 20.225 -8.433 2.611
128 H GLN 15 H GLN 15 18.489 -13.177 2.803
129 HA GLN 15 HA GLN 15 19.683 -15.002 4.701
130 HB2 GLN 15 2HB GLN 15 17.869 -16.374 4.338
131 HB3 GLN 15 3HB GLN 15 17.176 -14.806 3.944
132 HG2 GLN 15 2HG GLN 15 17.964 -15.421 1.521
133 HG3 GLN 15 3HG GLN 15 17.904 -17.065 2.154
134 HE21 GLN 15 1HE2 GLN 15 16.091 -18.030 1.624
135 HE22 GLN 15 2HE2 GLN 15 14.524 -17.306 1.568
136 H ARG 16 H ARG 16 20.387 -14.027 1.591
137 HA ARG 16 HA ARG 16 21.772 -16.565 1.015
138 HB2 ARG 16 2HB ARG 16 21.495 -16.189 -1.319
139 HB3 ARG 16 3HB ARG 16 19.922 -15.931 -0.578
140 HG2 ARG 16 2HG ARG 16 20.162 -13.556 -0.739
141 HG3 ARG 16 3HG ARG 16 21.833 -13.718 -1.284
142 HD2 ARG 16 2HD ARG 16 19.721 -15.102 -2.847
143 HD3 ARG 16 3HD ARG 16 19.818 -13.346 -2.974
144 HE ARG 16 HE ARG 16 22.382 -14.456 -3.314
145 HH11 ARG 16 1HH1 ARG 16 19.317 -14.189 -4.942
146 HH12 ARG 16 2HH1 ARG 16 20.004 -14.291 -6.530
147 HH21 ARG 16 1HH2 ARG 16 23.299 -14.592 -5.398
148 HH22 ARG 16 2HH2 ARG 16 22.269 -14.522 -6.788
149 H GLY 17 H GLY 17 22.071 -13.218 1.601
150 HA2 GLY 17 2HA GLY 17 24.902 -13.319 0.755
151 HA3 GLY 17 3HA GLY 17 23.923 -11.864 0.634
152 H SER 18 H SER 18 22.704 -12.793 3.323
153 HA SER 18 HA SER 18 24.886 -11.727 4.994
154 HB2 SER 18 2HB SER 18 22.452 -10.550 4.558
155 HB3 SER 18 3HB SER 18 22.149 -11.455 6.041
156 HG SER 18 HG SER 18 24.097 -9.460 5.566
157 H TRP 19 H TRP 19 22.847 -14.356 4.412
158 HA TRP 19 HA TRP 19 23.436 -15.466 7.079
159 HB2 TRP 19 2HB TRP 19 21.006 -15.083 6.648
160 HB3 TRP 19 3HB TRP 19 21.109 -16.200 5.290
161 HD1 TRP 19 HD1 TRP 19 21.537 -18.816 5.895
162 HE1 TRP 19 HE1 TRP 19 20.970 -20.159 8.016
163 HE3 TRP 19 HE3 TRP 19 20.820 -14.935 9.145
164 HZ2 TRP 19 HZ2 TRP 19 20.307 -19.641 10.711
165 HZ3 TRP 19 HZ3 TRP 19 20.221 -15.445 11.477
166 HH2 TRP 19 HH2 TRP 19 19.970 -17.750 12.241
167 H THR 20 H THR 20 25.407 -16.361 6.421
168 HA THR 20 HA THR 20 25.296 -18.394 4.306
169 HB THR 20 HB THR 20 27.097 -16.784 4.045
170 HG1 THR 20 HG1 THR 20 27.458 -19.080 3.582
171 HG21 THR 20 3HG2 THR 20 28.989 -17.082 5.875
172 HG22 THR 20 1HG2 THR 20 27.605 -17.460 6.899
173 HG23 THR 20 2HG2 THR 20 27.693 -15.904 6.073
174 H GLY 21 H GLY 21 23.953 -19.259 6.446
175 HA2 GLY 21 2HA GLY 21 25.319 -20.452 8.546
176 HA3 GLY 21 3HA GLY 21 23.807 -21.047 7.877
177 HA PRO 22 HA PRO 22 27.313 -24.110 7.175
178 HB2 PRO 22 2HB PRO 22 26.246 -26.137 8.632
179 HB3 PRO 22 3HB PRO 22 27.314 -24.913 9.328
180 HG2 PRO 22 2HG PRO 22 24.327 -25.084 9.405
181 HG3 PRO 22 3HG PRO 22 25.457 -24.660 10.704
182 HD2 PRO 22 2HD PRO 22 24.071 -22.796 9.311
183 HD3 PRO 22 3HD PRO 22 25.697 -22.492 9.957
184 H ARG 23 H ARG 23 26.351 -23.968 5.019
185 HA ARG 23 HA ARG 23 25.187 -26.422 4.215
186 HB2 ARG 23 2HB ARG 23 23.194 -25.184 5.173
187 HB3 ARG 23 3HB ARG 23 23.385 -24.029 3.860
188 HG2 ARG 23 2HG ARG 23 23.303 -26.228 2.395
189 HG3 ARG 23 3HG ARG 23 22.424 -26.834 3.800
190 HD2 ARG 23 2HD ARG 23 21.701 -24.209 2.551
191 HD3 ARG 23 3HD ARG 23 21.104 -25.724 1.874
192 HE ARG 23 HE ARG 23 20.162 -24.421 4.215
193 HH11 ARG 23 1HH1 ARG 23 20.735 -27.566 2.835
194 HH12 ARG 23 2HH1 ARG 23 19.515 -28.348 3.785
195 HH21 ARG 23 1HH2 ARG 23 18.554 -25.440 5.471
196 HH22 ARG 23 2HH2 ARG 23 18.274 -27.138 5.283
197 H CYS 24 H CYS 24 25.518 -26.784 2.070
198 HA CYS 24 HA CYS 24 27.343 -25.271 0.653
199 HB2 CYS 24 2HB CYS 24 25.253 -27.210 -0.347
200 HB3 CYS 24 3HB CYS 24 26.523 -26.543 -1.365
201 HG CYS 24 HG CYS 24 28.541 -27.598 0.470
Start of MODEL 14
1 H1 SER 1 H SER 1 2.328 2.257 -5.100
2 HA SER 1 HA SER 1 3.849 1.585 -3.251
3 HB2 SER 1 2HB SER 1 2.244 1.711 -1.447
4 HB3 SER 1 3HB SER 1 1.713 2.785 -2.741
5 HG SER 1 HG SER 1 0.011 1.574 -3.053
6 H ARG 2 H ARG 2 4.122 -0.636 -4.752
7 HA ARG 2 HA ARG 2 3.181 -2.875 -3.104
8 HB2 ARG 2 2HB ARG 2 3.965 -2.570 -5.950
9 HB3 ARG 2 3HB ARG 2 4.360 -4.102 -5.182
10 HG2 ARG 2 2HG ARG 2 1.821 -3.904 -4.404
11 HG3 ARG 2 3HG ARG 2 1.730 -2.953 -5.888
12 HD2 ARG 2 2HD ARG 2 2.211 -4.745 -7.229
13 HD3 ARG 2 3HD ARG 2 3.135 -5.572 -5.975
14 HE ARG 2 HE ARG 2 0.531 -5.554 -5.090
15 HH11 ARG 2 1HH1 ARG 2 2.241 -6.758 -7.873
16 HH12 ARG 2 2HH1 ARG 2 1.158 -8.086 -8.127
17 HH21 ARG 2 1HH2 ARG 2 -0.902 -7.298 -5.414
18 HH22 ARG 2 2HH2 ARG 2 -0.630 -8.392 -6.728
19 H SER 3 H SER 3 4.641 -2.677 -1.392
20 HA SER 3 HA SER 3 7.492 -2.899 -2.014
21 HB2 SER 3 2HB SER 3 7.939 -2.094 0.124
22 HB3 SER 3 3HB SER 3 6.434 -1.262 -0.266
23 HG SER 3 HG SER 3 6.585 -2.351 1.857
24 H SER 4 H SER 4 5.568 -5.111 -2.371
25 HA SER 4 HA SER 4 6.563 -7.018 -0.366
26 HB2 SER 4 2HB SER 4 4.212 -7.224 -2.263
27 HB3 SER 4 3HB SER 4 4.713 -8.487 -1.139
28 HG SER 4 HG SER 4 4.508 -6.548 0.431
29 H LEU 5 H LEU 5 6.915 -6.050 -3.595
30 HA LEU 5 HA LEU 5 8.317 -8.562 -4.230
31 HB2 LEU 5 2HB LEU 5 7.012 -6.723 -6.224
32 HB3 LEU 5 3HB LEU 5 7.731 -8.301 -6.537
33 HG LEU 5 HG LEU 5 5.274 -7.882 -4.840
34 HD11 LEU 5 1HD1 LEU 5 3.921 -8.334 -6.671
35 HD12 LEU 5 2HD1 LEU 5 5.259 -8.961 -7.633
36 HD13 LEU 5 3HD1 LEU 5 5.128 -7.229 -7.329
37 HD21 LEU 5 3HD2 LEU 5 5.106 -10.162 -4.709
38 HD22 LEU 5 1HD2 LEU 5 6.860 -9.977 -4.717
39 HD23 LEU 5 2HD2 LEU 5 6.014 -10.427 -6.198
40 H ARG 6 H ARG 6 8.179 -5.080 -4.940
41 HA ARG 6 HA ARG 6 10.824 -5.026 -6.040
42 HB2 ARG 6 2HB ARG 6 8.637 -3.341 -6.123
43 HB3 ARG 6 3HB ARG 6 9.770 -2.467 -5.100
44 HG2 ARG 6 2HG ARG 6 10.616 -1.693 -7.010
45 HG3 ARG 6 3HG ARG 6 11.369 -3.283 -7.160
46 HD2 ARG 6 2HD ARG 6 8.580 -3.013 -8.119
47 HD3 ARG 6 3HD ARG 6 9.833 -2.215 -9.068
48 HE ARG 6 HE ARG 6 9.333 -5.020 -8.900
49 HH11 ARG 6 1HH1 ARG 6 11.822 -2.631 -9.366
50 HH12 ARG 6 2HH1 ARG 6 12.855 -3.694 -10.263
51 HH21 ARG 6 1HH2 ARG 6 10.685 -6.429 -10.080
52 HH22 ARG 6 2HH2 ARG 6 12.207 -5.853 -10.670
53 H SER 7 H SER 7 9.734 -5.352 -2.942
54 HA SER 7 HA SER 7 12.193 -4.153 -1.848
55 HB2 SER 7 2HB SER 7 10.651 -2.753 -0.868
56 HB3 SER 7 3HB SER 7 9.374 -3.969 -0.889
57 HG SER 7 HG SER 7 9.971 -4.612 1.023
58 H ARG 8 H ARG 8 10.386 -6.932 -2.334
59 HA ARG 8 HA ARG 8 10.792 -8.429 -0.020
60 HB2 ARG 8 2HB ARG 8 9.371 -9.468 -1.511
61 HB3 ARG 8 3HB ARG 8 10.383 -9.094 -2.900
62 HG2 ARG 8 2HG ARG 8 11.535 -10.941 -0.910
63 HG3 ARG 8 3HG ARG 8 10.162 -11.543 -1.841
64 HD2 ARG 8 2HD ARG 8 11.290 -11.185 -3.898
65 HD3 ARG 8 3HD ARG 8 12.563 -10.251 -3.113
66 HE ARG 8 HE ARG 8 13.599 -12.213 -2.519
67 HH11 ARG 8 1HH1 ARG 8 10.368 -12.890 -3.625
68 HH12 ARG 8 2HH1 ARG 8 10.600 -14.606 -3.662
69 HH21 ARG 8 1HH2 ARG 8 13.917 -14.471 -2.564
70 HH22 ARG 8 2HH2 ARG 8 12.619 -15.505 -3.058
71 H TRP 9 H TRP 9 12.949 -7.739 -2.702
72 HA TRP 9 HA TRP 9 14.955 -9.621 -1.931
73 HB2 TRP 9 2HB TRP 9 15.583 -7.195 -3.569
74 HB3 TRP 9 3HB TRP 9 16.183 -8.843 -3.737
75 HD1 TRP 9 HD1 TRP 9 13.442 -6.535 -4.921
76 HE1 TRP 9 HE1 TRP 9 11.996 -7.752 -6.669
77 HE3 TRP 9 HE3 TRP 9 15.287 -11.268 -4.348
78 HZ2 TRP 9 HZ2 TRP 9 11.679 -10.372 -7.671
79 HZ3 TRP 9 HZ3 TRP 9 14.358 -13.073 -5.739
80 HH2 TRP 9 HH2 TRP 9 12.591 -12.632 -7.365
81 H GLY 10 H GLY 10 13.933 -6.796 -0.528
82 HA2 GLY 10 2HA GLY 10 16.458 -5.675 0.235
83 HA3 GLY 10 3HA GLY 10 14.888 -5.263 0.909
84 H ARG 11 H ARG 11 14.012 -7.593 1.973
85 HA ARG 11 HA ARG 11 15.869 -7.940 4.195
86 HB2 ARG 11 2HB ARG 11 13.339 -7.430 4.406
87 HB3 ARG 11 3HB ARG 11 13.117 -9.135 4.036
88 HG2 ARG 11 2HG ARG 11 15.055 -8.538 6.169
89 HG3 ARG 11 3HG ARG 11 13.369 -8.154 6.525
90 HD2 ARG 11 2HD ARG 11 13.503 -10.710 5.257
91 HD3 ARG 11 3HD ARG 11 14.645 -10.673 6.599
92 HE ARG 11 HE ARG 11 11.788 -10.698 6.767
93 HH11 ARG 11 1HH1 ARG 11 14.708 -9.676 8.363
94 HH12 ARG 11 2HH1 ARG 11 13.997 -9.670 9.943
95 HH21 ARG 11 1HH2 ARG 11 10.841 -10.694 8.842
96 HH22 ARG 11 2HH2 ARG 11 11.798 -10.250 10.214
97 H PHE 12 H PHE 12 14.660 -9.638 1.451
98 HA PHE 12 HA PHE 12 15.197 -12.282 2.372
99 HB2 PHE 12 2HB PHE 12 13.633 -11.701 0.495
100 HB3 PHE 12 3HB PHE 12 15.041 -11.323 -0.491
101 HD1 PHE 12 HD1 PHE 12 16.628 -13.120 -1.112
102 HD2 PHE 12 HD2 PHE 12 12.947 -13.935 0.863
103 HE1 PHE 12 HE1 PHE 12 16.797 -15.482 -1.779
104 HE2 PHE 12 HE2 PHE 12 13.111 -16.299 0.201
105 HZ PHE 12 HZ PHE 12 15.038 -17.075 -1.121
106 H LEU 13 H LEU 13 16.962 -9.996 0.306
107 HA LEU 13 HA LEU 13 19.120 -11.576 -0.391
108 HB2 LEU 13 2HB LEU 13 18.759 -8.645 0.029
109 HB3 LEU 13 3HB LEU 13 20.379 -9.278 -0.256
110 HG LEU 13 HG LEU 13 18.796 -8.392 -2.214
111 HD11 LEU 13 1HD1 LEU 13 21.054 -8.952 -2.614
112 HD12 LEU 13 2HD1 LEU 13 20.103 -9.928 -3.733
113 HD13 LEU 13 3HD1 LEU 13 20.770 -10.659 -2.274
114 HD21 LEU 13 3HD2 LEU 13 18.242 -11.354 -2.158
115 HD22 LEU 13 1HD2 LEU 13 17.687 -10.184 -3.356
116 HD23 LEU 13 2HD2 LEU 13 17.073 -10.113 -1.704
117 H LEU 14 H LEU 14 18.422 -9.990 2.639
118 HA LEU 14 HA LEU 14 20.953 -10.050 3.818
119 HB2 LEU 14 2HB LEU 14 18.158 -10.032 4.837
120 HB3 LEU 14 3HB LEU 14 19.461 -10.376 5.973
121 HG LEU 14 HG LEU 14 18.680 -7.986 5.888
122 HD11 LEU 14 1HD1 LEU 14 21.575 -8.295 5.143
123 HD12 LEU 14 2HD1 LEU 14 20.931 -8.805 6.704
124 HD13 LEU 14 3HD1 LEU 14 20.841 -7.110 6.224
125 HD21 LEU 14 3HD2 LEU 14 18.621 -8.168 3.265
126 HD22 LEU 14 1HD2 LEU 14 20.302 -7.653 3.414
127 HD23 LEU 14 2HD2 LEU 14 19.009 -6.643 4.063
128 H GLN 15 H GLN 15 18.658 -12.583 3.227
129 HA GLN 15 HA GLN 15 19.905 -14.448 5.048
130 HB2 GLN 15 2HB GLN 15 18.131 -15.819 4.645
131 HB3 GLN 15 3HB GLN 15 17.402 -14.303 4.129
132 HG2 GLN 15 2HG GLN 15 18.189 -14.884 1.793
133 HG3 GLN 15 3HG GLN 15 18.536 -16.494 2.422
134 HE21 GLN 15 1HE2 GLN 15 15.876 -14.203 2.935
135 HE22 GLN 15 2HE2 GLN 15 14.617 -15.301 2.496
136 H ARG 16 H ARG 16 20.728 -13.236 2.087
137 HA ARG 16 HA ARG 16 22.206 -15.686 1.378
138 HB2 ARG 16 2HB ARG 16 21.744 -13.696 -0.753
139 HB3 ARG 16 3HB ARG 16 21.704 -15.453 -0.822
140 HG2 ARG 16 2HG ARG 16 19.487 -15.348 0.350
141 HG3 ARG 16 3HG ARG 16 19.530 -13.600 0.113
142 HD2 ARG 16 2HD ARG 16 18.355 -14.236 -1.746
143 HD3 ARG 16 3HD ARG 16 19.998 -14.279 -2.382
144 HE ARG 16 HE ARG 16 19.239 -16.798 -1.308
145 HH11 ARG 16 1HH1 ARG 16 18.828 -14.721 -4.072
146 HH12 ARG 16 2HH1 ARG 16 18.512 -16.024 -5.168
147 HH21 ARG 16 1HH2 ARG 16 18.824 -18.523 -2.742
148 HH22 ARG 16 2HH2 ARG 16 18.509 -18.186 -4.411
149 H GLY 17 H GLY 17 22.385 -12.444 2.317
150 HA2 GLY 17 2HA GLY 17 25.238 -12.365 1.549
151 HA3 GLY 17 3HA GLY 17 24.213 -10.940 1.464
152 H SER 18 H SER 18 22.915 -12.107 4.036
153 HA SER 18 HA SER 18 24.968 -11.056 5.871
154 HB2 SER 18 2HB SER 18 22.208 -10.286 5.471
155 HB3 SER 18 3HB SER 18 22.472 -10.811 7.133
156 HG SER 18 HG SER 18 23.778 -9.159 7.467
157 H TRP 19 H TRP 19 23.006 -13.697 5.051
158 HA TRP 19 HA TRP 19 23.832 -15.083 7.498
159 HB2 TRP 19 2HB TRP 19 21.454 -14.329 7.737
160 HB3 TRP 19 3HB TRP 19 21.050 -15.318 6.337
161 HD1 TRP 19 HD1 TRP 19 21.288 -18.022 6.658
162 HE1 TRP 19 HE1 TRP 19 21.052 -19.470 8.772
163 HE3 TRP 19 HE3 TRP 19 21.831 -14.378 10.202
164 HZ2 TRP 19 HZ2 TRP 19 21.089 -19.115 11.572
165 HZ3 TRP 19 HZ3 TRP 19 21.717 -15.015 12.576
166 HH2 TRP 19 HH2 TRP 19 21.354 -17.335 13.245
167 H THR 20 H THR 20 25.369 -16.263 6.408
168 HA THR 20 HA THR 20 24.498 -17.879 4.122
169 HB THR 20 HB THR 20 26.564 -16.606 3.799
170 HG1 THR 20 HG1 THR 20 26.700 -18.418 2.625
171 HG21 THR 20 3HG2 THR 20 27.858 -16.309 5.605
172 HG22 THR 20 1HG2 THR 20 28.503 -17.912 5.256
173 HG23 THR 20 2HG2 THR 20 27.191 -17.724 6.420
174 H GLY 21 H GLY 21 23.419 -18.685 6.528
175 HA2 GLY 21 2HA GLY 21 24.880 -20.572 7.987
176 HA3 GLY 21 3HA GLY 21 23.131 -20.559 7.820
177 HA PRO 22 HA PRO 22 24.864 -24.399 5.816
178 HB2 PRO 22 2HB PRO 22 23.261 -26.134 7.155
179 HB3 PRO 22 3HB PRO 22 24.823 -25.592 7.780
180 HG2 PRO 22 2HG PRO 22 22.073 -24.628 8.462
181 HG3 PRO 22 3HG PRO 22 23.441 -24.959 9.539
182 HD2 PRO 22 2HD PRO 22 22.776 -22.453 8.758
183 HD3 PRO 22 3HD PRO 22 24.452 -22.938 9.082
184 H ARG 23 H ARG 23 24.026 -24.477 3.824
185 HA ARG 23 HA ARG 23 21.140 -24.263 3.443
186 HB2 ARG 23 2HB ARG 23 22.709 -22.910 2.054
187 HB3 ARG 23 3HB ARG 23 23.332 -24.404 1.367
188 HG2 ARG 23 2HG ARG 23 21.212 -24.898 0.364
189 HG3 ARG 23 3HG ARG 23 20.460 -23.527 1.182
190 HD2 ARG 23 2HD ARG 23 20.910 -22.926 -1.104
191 HD3 ARG 23 3HD ARG 23 21.987 -22.015 -0.047
192 HE ARG 23 HE ARG 23 23.771 -23.079 -1.008
193 HH11 ARG 23 1HH1 ARG 23 20.854 -24.814 -1.785
194 HH12 ARG 23 2HH1 ARG 23 21.633 -25.881 -2.907
195 HH21 ARG 23 1HH2 ARG 23 24.807 -24.478 -2.482
196 HH22 ARG 23 2HH2 ARG 23 23.881 -25.689 -3.301
197 H CYS 24 H CYS 24 23.806 -26.438 2.531
198 HA CYS 24 HA CYS 24 22.332 -28.396 1.241
199 HB2 CYS 24 2HB CYS 24 24.805 -28.716 2.953
200 HB3 CYS 24 3HB CYS 24 24.179 -29.945 1.860
201 HG CYS 24 HG CYS 24 24.745 -26.957 0.438
Start of MODEL 15
1 H1 SER 1 H SER 1 0.766 -6.330 -3.007
2 HA SER 1 HA SER 1 2.204 -5.819 -4.708
3 HB2 SER 1 2HB SER 1 -0.164 -5.629 -5.707
4 HB3 SER 1 3HB SER 1 0.093 -3.886 -5.648
5 HG SER 1 HG SER 1 1.520 -5.831 -7.119
6 H ARG 2 H ARG 2 2.345 -4.125 -2.289
7 HA ARG 2 HA ARG 2 3.502 -1.700 -3.500
8 HB2 ARG 2 2HB ARG 2 3.207 -0.734 -1.150
9 HB3 ARG 2 3HB ARG 2 1.755 -0.957 -2.116
10 HG2 ARG 2 2HG ARG 2 0.989 -2.689 -0.818
11 HG3 ARG 2 3HG ARG 2 2.604 -3.119 -0.251
12 HD2 ARG 2 2HD ARG 2 1.797 -2.119 1.634
13 HD3 ARG 2 3HD ARG 2 2.477 -0.708 0.824
14 HE ARG 2 HE ARG 2 -0.290 -1.214 0.202
15 HH11 ARG 2 1HH1 ARG 2 1.938 0.365 2.361
16 HH12 ARG 2 2HH1 ARG 2 0.792 1.553 2.886
17 HH21 ARG 2 1HH2 ARG 2 -1.809 0.345 0.886
18 HH22 ARG 2 2HH2 ARG 2 -1.340 1.540 2.047
19 H SER 3 H SER 3 5.589 -2.344 -3.793
20 HA SER 3 HA SER 3 7.748 -2.849 -3.283
21 HB2 SER 3 2HB SER 3 7.280 -2.339 -0.376
22 HB3 SER 3 3HB SER 3 8.634 -1.854 -1.396
23 HG SER 3 HG SER 3 6.827 -0.523 -2.459
24 H SER 4 H SER 4 5.572 -4.876 -2.997
25 HA SER 4 HA SER 4 6.685 -6.667 -0.973
26 HB2 SER 4 2HB SER 4 4.226 -6.941 -2.717
27 HB3 SER 4 3HB SER 4 4.722 -8.093 -1.478
28 HG SER 4 HG SER 4 3.565 -5.588 -1.219
29 H LEU 5 H LEU 5 6.898 -6.042 -4.297
30 HA LEU 5 HA LEU 5 8.103 -8.692 -4.758
31 HB2 LEU 5 2HB LEU 5 7.580 -8.086 -7.231
32 HB3 LEU 5 3HB LEU 5 6.315 -8.741 -6.194
33 HG LEU 5 HG LEU 5 6.401 -5.828 -6.170
34 HD11 LEU 5 1HD1 LEU 5 5.601 -5.462 -8.402
35 HD12 LEU 5 2HD1 LEU 5 5.698 -7.184 -8.768
36 HD13 LEU 5 3HD1 LEU 5 7.172 -6.258 -8.489
37 HD21 LEU 5 3HD2 LEU 5 4.591 -7.835 -5.654
38 HD22 LEU 5 1HD2 LEU 5 4.025 -7.170 -7.187
39 HD23 LEU 5 2HD2 LEU 5 4.220 -6.115 -5.787
40 H ARG 6 H ARG 6 8.207 -5.268 -5.702
41 HA ARG 6 HA ARG 6 10.786 -5.507 -6.931
42 HB2 ARG 6 2HB ARG 6 8.818 -3.740 -7.262
43 HB3 ARG 6 3HB ARG 6 9.745 -2.859 -6.055
44 HG2 ARG 6 2HG ARG 6 11.520 -2.524 -7.458
45 HG3 ARG 6 3HG ARG 6 11.171 -3.962 -8.420
46 HD2 ARG 6 2HD ARG 6 9.009 -2.645 -9.066
47 HD3 ARG 6 3HD ARG 6 9.945 -1.242 -8.552
48 HE ARG 6 HE ARG 6 11.143 -1.407 -10.484
49 HH11 ARG 6 1HH1 ARG 6 9.620 -4.474 -9.857
50 HH12 ARG 6 2HH1 ARG 6 10.126 -5.179 -11.356
51 HH21 ARG 6 1HH2 ARG 6 11.816 -2.324 -12.461
52 HH22 ARG 6 2HH2 ARG 6 11.376 -3.956 -12.836
53 H SER 7 H SER 7 9.840 -5.549 -3.774
54 HA SER 7 HA SER 7 12.435 -4.479 -2.879
55 HB2 SER 7 2HB SER 7 9.974 -3.411 -2.222
56 HB3 SER 7 3HB SER 7 10.332 -4.450 -0.843
57 HG SER 7 HG SER 7 12.542 -3.303 -1.134
58 H ARG 8 H ARG 8 10.405 -7.133 -3.095
59 HA ARG 8 HA ARG 8 10.815 -8.507 -0.706
60 HB2 ARG 8 2HB ARG 8 9.244 -9.523 -2.055
61 HB3 ARG 8 3HB ARG 8 10.207 -9.319 -3.512
62 HG2 ARG 8 2HG ARG 8 11.313 -11.123 -1.455
63 HG3 ARG 8 3HG ARG 8 9.859 -11.671 -2.291
64 HD2 ARG 8 2HD ARG 8 10.917 -11.530 -4.409
65 HD3 ARG 8 3HD ARG 8 12.289 -10.648 -3.739
66 HE ARG 8 HE ARG 8 13.203 -12.641 -3.052
67 HH11 ARG 8 1HH1 ARG 8 9.894 -13.141 -4.012
68 HH12 ARG 8 2HH1 ARG 8 10.002 -14.869 -3.954
69 HH21 ARG 8 1HH2 ARG 8 13.357 -14.915 -2.972
70 HH22 ARG 8 2HH2 ARG 8 11.972 -15.877 -3.362
71 H TRP 9 H TRP 9 12.879 -8.148 -3.520
72 HA TRP 9 HA TRP 9 14.778 -10.129 -2.705
73 HB2 TRP 9 2HB TRP 9 15.494 -7.898 -4.567
74 HB3 TRP 9 3HB TRP 9 15.951 -9.598 -4.631
75 HD1 TRP 9 HD1 TRP 9 13.319 -7.171 -5.837
76 HE1 TRP 9 HE1 TRP 9 11.691 -8.393 -7.412
77 HE3 TRP 9 HE3 TRP 9 14.858 -11.978 -5.024
78 HZ2 TRP 9 HZ2 TRP 9 11.133 -11.044 -8.204
79 HZ3 TRP 9 HZ3 TRP 9 13.724 -13.799 -6.229
80 HH2 TRP 9 HH2 TRP 9 11.900 -13.340 -7.785
81 H GLY 10 H GLY 10 14.034 -7.165 -1.454
82 HA2 GLY 10 2HA GLY 10 16.644 -6.119 -0.949
83 HA3 GLY 10 3HA GLY 10 15.155 -5.621 -0.161
84 H ARG 11 H ARG 11 14.273 -7.683 1.210
85 HA ARG 11 HA ARG 11 16.344 -8.071 3.211
86 HB2 ARG 11 2HB ARG 11 13.921 -7.363 3.689
87 HB3 ARG 11 3HB ARG 11 13.503 -9.046 3.393
88 HG2 ARG 11 2HG ARG 11 15.430 -9.453 5.160
89 HG3 ARG 11 3HG ARG 11 14.974 -7.822 5.655
90 HD2 ARG 11 2HD ARG 11 13.570 -9.094 6.959
91 HD3 ARG 11 3HD ARG 11 12.549 -8.782 5.556
92 HE ARG 11 HE ARG 11 13.972 -11.172 5.154
93 HH11 ARG 11 1HH1 ARG 11 11.401 -9.868 7.105
94 HH12 ARG 11 2HH1 ARG 11 10.601 -11.391 7.301
95 HH21 ARG 11 1HH2 ARG 11 12.927 -13.184 5.404
96 HH22 ARG 11 2HH2 ARG 11 11.470 -13.278 6.334
97 H PHE 12 H PHE 12 14.544 -9.909 0.858
98 HA PHE 12 HA PHE 12 15.028 -12.495 1.842
99 HB2 PHE 12 2HB PHE 12 13.396 -11.907 0.037
100 HB3 PHE 12 3HB PHE 12 14.756 -11.682 -1.058
101 HD1 PHE 12 HD1 PHE 12 16.215 -13.639 -1.605
102 HD2 PHE 12 HD2 PHE 12 12.532 -14.043 0.489
103 HE1 PHE 12 HE1 PHE 12 16.170 -16.037 -2.154
104 HE2 PHE 12 HE2 PHE 12 12.481 -16.442 -0.056
105 HZ PHE 12 HZ PHE 12 14.302 -17.442 -1.378
106 H LEU 13 H LEU 13 16.842 -10.512 -0.479
107 HA LEU 13 HA LEU 13 18.810 -12.332 -1.176
108 HB2 LEU 13 2HB LEU 13 18.710 -9.357 -1.002
109 HB3 LEU 13 3HB LEU 13 20.254 -10.145 -1.322
110 HG LEU 13 HG LEU 13 18.623 -9.300 -3.257
111 HD11 LEU 13 1HD1 LEU 13 19.669 -11.554 -4.421
112 HD12 LEU 13 2HD1 LEU 13 20.722 -11.305 -3.028
113 HD13 LEU 13 3HD1 LEU 13 20.506 -10.016 -4.212
114 HD21 LEU 13 3HD2 LEU 13 16.806 -10.819 -2.490
115 HD22 LEU 13 1HD2 LEU 13 17.838 -12.188 -2.904
116 HD23 LEU 13 2HD2 LEU 13 17.298 -11.079 -4.165
117 H LEU 14 H LEU 14 18.588 -10.247 1.656
118 HA LEU 14 HA LEU 14 21.168 -10.611 2.665
119 HB2 LEU 14 2HB LEU 14 18.537 -9.850 3.801
120 HB3 LEU 14 3HB LEU 14 19.797 -10.336 4.933
121 HG LEU 14 HG LEU 14 21.258 -8.564 3.952
122 HD11 LEU 14 1HD1 LEU 14 19.300 -6.869 2.863
123 HD12 LEU 14 2HD1 LEU 14 19.110 -8.431 2.067
124 HD13 LEU 14 3HD1 LEU 14 20.672 -7.612 2.040
125 HD21 LEU 14 3HD2 LEU 14 20.020 -8.213 6.031
126 HD22 LEU 14 1HD2 LEU 14 18.633 -7.631 5.110
127 HD23 LEU 14 2HD2 LEU 14 20.145 -6.721 5.096
128 H GLN 15 H GLN 15 18.507 -12.775 2.497
129 HA GLN 15 HA GLN 15 19.421 -14.506 4.618
130 HB2 GLN 15 2HB GLN 15 17.400 -15.179 2.484
131 HB3 GLN 15 3HB GLN 15 17.563 -15.896 4.081
132 HG2 GLN 15 2HG GLN 15 16.756 -13.047 3.542
133 HG3 GLN 15 3HG GLN 15 15.646 -14.369 3.899
134 HE21 GLN 15 1HE2 GLN 15 15.723 -15.334 5.980
135 HE22 GLN 15 2HE2 GLN 15 16.332 -14.456 7.337
136 H ARG 16 H ARG 16 20.341 -13.955 1.447
137 HA ARG 16 HA ARG 16 21.510 -16.653 1.235
138 HB2 ARG 16 2HB ARG 16 21.393 -16.494 -1.156
139 HB3 ARG 16 3HB ARG 16 19.802 -16.113 -0.509
140 HG2 ARG 16 2HG ARG 16 20.006 -13.847 -1.008
141 HG3 ARG 16 3HG ARG 16 21.760 -13.948 -1.174
142 HD2 ARG 16 2HD ARG 16 20.861 -15.726 -3.066
143 HD3 ARG 16 3HD ARG 16 19.655 -14.442 -3.134
144 HE ARG 16 HE ARG 16 21.213 -13.105 -4.125
145 HH11 ARG 16 1HH1 ARG 16 22.854 -15.703 -2.490
146 HH12 ARG 16 2HH1 ARG 16 24.419 -15.270 -3.095
147 HH21 ARG 16 1HH2 ARG 16 23.267 -12.524 -4.928
148 HH22 ARG 16 2HH2 ARG 16 24.653 -13.461 -4.481
149 H GLY 17 H GLY 17 22.091 -13.300 1.451
150 HA2 GLY 17 2HA GLY 17 24.916 -13.722 0.692
151 HA3 GLY 17 3HA GLY 17 24.073 -12.195 0.477
152 H SER 18 H SER 18 22.758 -12.826 3.197
153 HA SER 18 HA SER 18 25.033 -11.919 4.838
154 HB2 SER 18 2HB SER 18 22.219 -11.221 5.574
155 HB3 SER 18 3HB SER 18 23.713 -10.340 5.895
156 HG SER 18 HG SER 18 23.322 -9.237 4.164
157 H TRP 19 H TRP 19 22.644 -14.272 4.392
158 HA TRP 19 HA TRP 19 23.036 -15.261 7.141
159 HB2 TRP 19 2HB TRP 19 20.690 -14.588 6.617
160 HB3 TRP 19 3HB TRP 19 20.666 -15.803 5.341
161 HD1 TRP 19 HD1 TRP 19 20.676 -18.395 6.122
162 HE1 TRP 19 HE1 TRP 19 19.910 -19.498 8.317
163 HE3 TRP 19 HE3 TRP 19 20.544 -14.249 9.109
164 HZ2 TRP 19 HZ2 TRP 19 19.327 -18.714 10.966
165 HZ3 TRP 19 HZ3 TRP 19 19.871 -14.511 11.462
166 HH2 TRP 19 HH2 TRP 19 19.275 -16.698 12.368
167 H THR 20 H THR 20 24.925 -16.393 6.502
168 HA THR 20 HA THR 20 24.571 -18.553 4.557
169 HB THR 20 HB THR 20 26.582 -17.215 4.271
170 HG1 THR 20 HG1 THR 20 26.769 -19.435 3.794
171 HG21 THR 20 3HG2 THR 20 28.264 -17.918 6.360
172 HG22 THR 20 1HG2 THR 20 26.743 -17.518 7.156
173 HG23 THR 20 2HG2 THR 20 27.523 -16.339 6.102
174 H GLY 21 H GLY 21 23.071 -19.071 6.719
175 HA2 GLY 21 2HA GLY 21 24.206 -20.312 8.922
176 HA3 GLY 21 3HA GLY 21 22.642 -20.735 8.242
177 HA PRO 22 HA PRO 22 25.724 -24.276 7.825
178 HB2 PRO 22 2HB PRO 22 24.397 -26.037 9.409
179 HB3 PRO 22 3HB PRO 22 25.615 -24.915 10.029
180 HG2 PRO 22 2HG PRO 22 22.630 -24.690 10.083
181 HG3 PRO 22 3HG PRO 22 23.803 -24.323 11.361
182 HD2 PRO 22 2HD PRO 22 22.676 -22.400 9.823
183 HD3 PRO 22 3HD PRO 22 24.326 -22.265 10.465
184 H ARG 23 H ARG 23 24.668 -24.029 5.663
185 HA ARG 23 HA ARG 23 22.198 -25.061 4.962
186 HB2 ARG 23 2HB ARG 23 23.667 -23.781 3.441
187 HB3 ARG 23 3HB ARG 23 24.739 -25.171 3.328
188 HG2 ARG 23 2HG ARG 23 23.167 -26.429 2.131
189 HG3 ARG 23 3HG ARG 23 21.847 -25.340 2.559
190 HD2 ARG 23 2HD ARG 23 23.113 -23.551 1.270
191 HD3 ARG 23 3HD ARG 23 24.116 -24.860 0.647
192 HE ARG 23 HE ARG 23 21.577 -25.679 0.128
193 HH11 ARG 23 1HH1 ARG 23 23.394 -22.796 -0.584
194 HH12 ARG 23 2HH1 ARG 23 22.545 -22.469 -2.059
195 HH21 ARG 23 1HH2 ARG 23 20.452 -25.259 -1.811
196 HH22 ARG 23 2HH2 ARG 23 20.871 -23.870 -2.755
197 H CYS 24 H CYS 24 25.322 -26.743 5.137
198 HA CYS 24 HA CYS 24 23.931 -29.299 4.777
199 HB2 CYS 24 2HB CYS 24 26.861 -28.572 4.629
200 HB3 CYS 24 3HB CYS 24 26.257 -30.221 4.515
201 HG CYS 24 HG CYS 24 25.805 -30.175 1.993
Start of MODEL 16
1 H1 SER 1 H SER 1 1.730 -2.148 -5.534
2 HA SER 1 HA SER 1 4.402 -1.104 -6.147
3 HB2 SER 1 2HB SER 1 3.283 1.066 -6.448
4 HB3 SER 1 3HB SER 1 2.541 -0.174 -7.457
5 HG SER 1 HG SER 1 1.566 0.974 -5.068
6 H ARG 2 H ARG 2 3.623 -2.341 -3.575
7 HA ARG 2 HA ARG 2 4.069 -0.021 -1.812
8 HB2 ARG 2 2HB ARG 2 2.573 -2.593 -1.328
9 HB3 ARG 2 3HB ARG 2 3.108 -1.558 -0.011
10 HG2 ARG 2 2HG ARG 2 1.812 0.305 -1.046
11 HG3 ARG 2 3HG ARG 2 1.169 -0.863 -2.202
12 HD2 ARG 2 2HD ARG 2 0.958 -1.295 0.761
13 HD3 ARG 2 3HD ARG 2 -0.230 -0.334 -0.119
14 HE ARG 2 HE ARG 2 -0.054 -2.688 -1.506
15 HH11 ARG 2 1HH1 ARG 2 -0.791 -1.781 1.773
16 HH12 ARG 2 2HH1 ARG 2 -1.850 -3.125 2.045
17 HH21 ARG 2 1HH2 ARG 2 -1.446 -4.462 -1.160
18 HH22 ARG 2 2HH2 ARG 2 -2.221 -4.650 0.376
19 H SER 3 H SER 3 6.265 -1.028 -3.008
20 HA SER 3 HA SER 3 8.283 -2.060 -2.704
21 HB2 SER 3 2HB SER 3 9.033 -1.901 -0.202
22 HB3 SER 3 3HB SER 3 8.767 -0.420 -1.122
23 HG SER 3 HG SER 3 7.677 -0.163 0.771
24 H SER 4 H SER 4 6.075 -3.859 -2.760
25 HA SER 4 HA SER 4 6.865 -5.909 -0.805
26 HB2 SER 4 2HB SER 4 4.365 -5.656 -2.494
27 HB3 SER 4 3HB SER 4 4.717 -7.019 -1.432
28 HG SER 4 HG SER 4 5.007 -5.141 0.180
29 H LEU 5 H LEU 5 7.120 -5.039 -4.072
30 HA LEU 5 HA LEU 5 7.987 -7.769 -4.764
31 HB2 LEU 5 2HB LEU 5 7.457 -6.934 -7.169
32 HB3 LEU 5 3HB LEU 5 6.163 -7.530 -6.131
33 HG LEU 5 HG LEU 5 6.537 -4.658 -5.886
34 HD11 LEU 5 1HD1 LEU 5 5.471 -5.524 -8.541
35 HD12 LEU 5 2HD1 LEU 5 7.195 -5.220 -8.329
36 HD13 LEU 5 3HD1 LEU 5 6.029 -3.934 -8.021
37 HD21 LEU 5 3HD2 LEU 5 4.175 -6.324 -6.747
38 HD22 LEU 5 1HD2 LEU 5 4.142 -4.658 -6.169
39 HD23 LEU 5 2HD2 LEU 5 4.601 -5.962 -5.074
40 H ARG 6 H ARG 6 8.421 -4.323 -5.534
41 HA ARG 6 HA ARG 6 10.931 -4.759 -6.845
42 HB2 ARG 6 2HB ARG 6 9.797 -2.157 -5.808
43 HB3 ARG 6 3HB ARG 6 11.052 -2.354 -7.024
44 HG2 ARG 6 2HG ARG 6 9.008 -3.778 -8.118
45 HG3 ARG 6 3HG ARG 6 8.144 -2.487 -7.281
46 HD2 ARG 6 2HD ARG 6 10.445 -2.041 -9.175
47 HD3 ARG 6 3HD ARG 6 8.747 -1.958 -9.643
48 HE ARG 6 HE ARG 6 9.254 -0.254 -7.441
49 HH11 ARG 6 1HH1 ARG 6 9.762 -0.525 -10.874
50 HH12 ARG 6 2HH1 ARG 6 9.817 1.187 -11.133
51 HH21 ARG 6 1HH2 ARG 6 9.325 2.002 -7.769
52 HH22 ARG 6 2HH2 ARG 6 9.569 2.623 -9.366
53 H SER 7 H SER 7 10.061 -4.858 -3.663
54 HA SER 7 HA SER 7 12.778 -4.117 -2.798
55 HB2 SER 7 2HB SER 7 11.603 -2.448 -1.733
56 HB3 SER 7 3HB SER 7 10.128 -3.409 -1.623
57 HG SER 7 HG SER 7 10.787 -3.578 0.387
58 H ARG 8 H ARG 8 10.467 -6.524 -3.075
59 HA ARG 8 HA ARG 8 10.779 -8.047 -0.763
60 HB2 ARG 8 2HB ARG 8 9.080 -8.830 -2.110
61 HB3 ARG 8 3HB ARG 8 10.022 -8.650 -3.584
62 HG2 ARG 8 2HG ARG 8 10.936 -10.674 -1.625
63 HG3 ARG 8 3HG ARG 8 9.460 -11.016 -2.531
64 HD2 ARG 8 2HD ARG 8 11.742 -9.994 -4.098
65 HD3 ARG 8 3HD ARG 8 11.933 -11.608 -3.416
66 HE ARG 8 HE ARG 8 10.198 -10.833 -5.566
67 HH11 ARG 8 1HH1 ARG 8 10.722 -13.140 -3.012
68 HH12 ARG 8 2HH1 ARG 8 9.799 -14.392 -3.776
69 HH21 ARG 8 1HH2 ARG 8 8.981 -12.473 -6.582
70 HH22 ARG 8 2HH2 ARG 8 8.810 -14.012 -5.807
71 H TRP 9 H TRP 9 12.808 -7.779 -3.614
72 HA TRP 9 HA TRP 9 14.492 -9.992 -2.967
73 HB2 TRP 9 2HB TRP 9 15.425 -7.719 -4.678
74 HB3 TRP 9 3HB TRP 9 15.702 -9.448 -4.869
75 HD1 TRP 9 HD1 TRP 9 13.335 -6.682 -5.868
76 HE1 TRP 9 HE1 TRP 9 11.568 -7.616 -7.490
77 HE3 TRP 9 HE3 TRP 9 14.350 -11.670 -5.392
78 HZ2 TRP 9 HZ2 TRP 9 10.718 -10.133 -8.442
79 HZ3 TRP 9 HZ3 TRP 9 13.014 -13.275 -6.693
80 HH2 TRP 9 HH2 TRP 9 11.235 -12.521 -8.185
81 H GLY 10 H GLY 10 14.113 -7.021 -1.537
82 HA2 GLY 10 2HA GLY 10 16.833 -6.348 -0.987
83 HA3 GLY 10 3HA GLY 10 15.418 -5.711 -0.162
84 H ARG 11 H ARG 11 14.283 -7.786 1.050
85 HA ARG 11 HA ARG 11 16.285 -8.522 3.031
86 HB2 ARG 11 2HB ARG 11 13.955 -7.557 3.551
87 HB3 ARG 11 3HB ARG 11 13.349 -9.163 3.172
88 HG2 ARG 11 2HG ARG 11 15.169 -9.915 4.904
89 HG3 ARG 11 3HG ARG 11 15.002 -8.252 5.469
90 HD2 ARG 11 2HD ARG 11 13.409 -9.286 6.750
91 HD3 ARG 11 3HD ARG 11 12.439 -8.811 5.356
92 HE ARG 11 HE ARG 11 13.267 -11.291 4.692
93 HH11 ARG 11 1HH1 ARG 11 11.740 -9.980 7.533
94 HH12 ARG 11 2HH1 ARG 11 10.912 -11.451 7.925
95 HH21 ARG 11 1HH2 ARG 11 12.182 -13.232 5.198
96 HH22 ARG 11 2HH2 ARG 11 11.165 -13.300 6.597
97 H PHE 12 H PHE 12 14.307 -9.973 0.560
98 HA PHE 12 HA PHE 12 14.465 -12.657 1.387
99 HB2 PHE 12 2HB PHE 12 12.924 -11.748 -0.374
100 HB3 PHE 12 3HB PHE 12 14.306 -11.657 -1.461
101 HD1 PHE 12 HD2 PHE 12 13.080 -14.246 0.932
102 HD2 PHE 12 HD1 PHE 12 14.181 -13.285 -3.066
103 HE1 PHE 12 HE2 PHE 12 12.708 -16.586 0.271
104 HE2 PHE 12 HE1 PHE 12 13.809 -15.624 -3.734
105 HZ PHE 12 HZ PHE 12 13.073 -17.278 -2.064
106 H LEU 13 H LEU 13 16.517 -10.752 -0.793
107 HA LEU 13 HA LEU 13 18.249 -12.743 -1.634
108 HB2 LEU 13 2HB LEU 13 18.516 -9.800 -1.235
109 HB3 LEU 13 3HB LEU 13 19.952 -10.746 -1.621
110 HG LEU 13 HG LEU 13 18.444 -9.562 -3.477
111 HD11 LEU 13 1HD1 LEU 13 20.033 -10.470 -4.724
112 HD12 LEU 13 2HD1 LEU 13 19.257 -12.049 -4.603
113 HD13 LEU 13 3HD1 LEU 13 20.442 -11.555 -3.395
114 HD21 LEU 13 3HD2 LEU 13 17.314 -12.353 -3.343
115 HD22 LEU 13 1HD2 LEU 13 16.918 -11.093 -4.512
116 HD23 LEU 13 2HD2 LEU 13 16.453 -10.904 -2.821
117 H LEU 14 H LEU 14 18.260 -10.875 1.353
118 HA LEU 14 HA LEU 14 20.773 -11.620 2.322
119 HB2 LEU 14 2HB LEU 14 18.239 -10.659 3.533
120 HB3 LEU 14 3HB LEU 14 19.447 -11.359 4.609
121 HG LEU 14 HG LEU 14 21.082 -9.684 3.764
122 HD11 LEU 14 1HD1 LEU 14 19.438 -7.686 2.771
123 HD12 LEU 14 2HD1 LEU 14 18.907 -9.144 1.934
124 HD13 LEU 14 3HD1 LEU 14 20.598 -8.650 1.857
125 HD21 LEU 14 3HD2 LEU 14 19.992 -7.736 4.921
126 HD22 LEU 14 1HD2 LEU 14 20.036 -9.236 5.848
127 HD23 LEU 14 2HD2 LEU 14 18.540 -8.728 5.064
128 H GLN 15 H GLN 15 17.876 -13.434 1.991
129 HA GLN 15 HA GLN 15 18.564 -15.423 3.966
130 HB2 GLN 15 2HB GLN 15 16.495 -15.682 1.789
131 HB3 GLN 15 3HB GLN 15 16.560 -16.538 3.323
132 HG2 GLN 15 2HG GLN 15 16.088 -13.582 3.004
133 HG3 GLN 15 3HG GLN 15 14.837 -14.793 3.279
134 HE21 GLN 15 1HE2 GLN 15 15.178 -16.159 5.255
135 HE22 GLN 15 2HE2 GLN 15 15.743 -15.355 6.676
136 H ARG 16 H ARG 16 19.566 -14.736 0.847
137 HA ARG 16 HA ARG 16 20.413 -17.527 0.422
138 HB2 ARG 16 2HB ARG 16 20.333 -17.168 -1.950
139 HB3 ARG 16 3HB ARG 16 18.792 -16.662 -1.271
140 HG2 ARG 16 2HG ARG 16 19.257 -14.401 -1.588
141 HG3 ARG 16 3HG ARG 16 20.988 -14.689 -1.771
142 HD2 ARG 16 2HD ARG 16 19.779 -14.161 -3.899
143 HD3 ARG 16 3HD ARG 16 20.675 -15.679 -3.914
144 HE ARG 16 HE ARG 16 18.022 -16.180 -3.137
145 HH11 ARG 16 1HH1 ARG 16 19.872 -15.240 -5.932
146 HH12 ARG 16 2HH1 ARG 16 18.757 -15.929 -7.064
147 HH21 ARG 16 1HH2 ARG 16 16.545 -17.091 -4.617
148 HH22 ARG 16 2HH2 ARG 16 16.864 -16.980 -6.315
149 H GLY 17 H GLY 17 21.380 -14.293 0.899
150 HA2 GLY 17 2HA GLY 17 24.142 -14.981 0.102
151 HA3 GLY 17 3HA GLY 17 23.483 -13.355 0.006
152 H SER 18 H SER 18 22.084 -14.027 2.671
153 HA SER 18 HA SER 18 24.438 -13.520 4.373
154 HB2 SER 18 2HB SER 18 21.716 -12.561 5.161
155 HB3 SER 18 3HB SER 18 23.298 -11.889 5.555
156 HG SER 18 HG SER 18 23.072 -10.621 3.909
157 H TRP 19 H TRP 19 21.800 -15.543 3.752
158 HA TRP 19 HA TRP 19 22.057 -16.777 6.417
159 HB2 TRP 19 2HB TRP 19 19.808 -15.805 5.956
160 HB3 TRP 19 3HB TRP 19 19.653 -16.900 4.585
161 HD1 TRP 19 HD1 TRP 19 19.370 -19.534 5.150
162 HE1 TRP 19 HE1 TRP 19 18.464 -20.718 7.248
163 HE3 TRP 19 HE3 TRP 19 19.669 -15.653 8.465
164 HZ2 TRP 19 HZ2 TRP 19 17.943 -20.089 9.951
165 HZ3 TRP 19 HZ3 TRP 19 18.947 -16.027 10.787
166 HH2 TRP 19 HH2 TRP 19 18.102 -18.200 11.512
167 H THR 20 H THR 20 23.801 -18.076 5.705
168 HA THR 20 HA THR 20 23.216 -20.026 3.599
169 HB THR 20 HB THR 20 25.368 -18.895 3.415
170 HG1 THR 20 HG1 THR 20 25.125 -21.210 2.898
171 HG21 THR 20 3HG2 THR 20 25.832 -18.338 5.701
172 HG22 THR 20 1HG2 THR 20 27.135 -19.376 5.123
173 HG23 THR 20 2HG2 THR 20 25.873 -20.040 6.161
174 H GLY 21 H GLY 21 22.685 -19.797 6.799
175 HA2 GLY 21 2HA GLY 21 22.310 -21.311 8.483
176 HA3 GLY 21 3HA GLY 21 22.095 -22.489 7.197
177 HA PRO 22 HA PRO 22 25.891 -23.466 9.809
178 HB2 PRO 22 2HB PRO 22 25.013 -25.855 10.753
179 HB3 PRO 22 3HB PRO 22 24.709 -24.324 11.582
180 HG2 PRO 22 2HG PRO 22 22.902 -25.897 9.786
181 HG3 PRO 22 3HG PRO 22 22.526 -25.081 11.315
182 HD2 PRO 22 2HD PRO 22 21.930 -24.003 8.904
183 HD3 PRO 22 3HD PRO 22 22.354 -23.012 10.314
184 H ARG 23 H ARG 23 27.180 -23.864 8.052
185 HA ARG 23 HA ARG 23 26.635 -25.906 6.138
186 HB2 ARG 23 2HB ARG 23 28.395 -23.730 6.344
187 HB3 ARG 23 3HB ARG 23 29.422 -25.154 6.240
188 HG2 ARG 23 2HG ARG 23 27.594 -25.645 4.280
189 HG3 ARG 23 3HG ARG 23 27.749 -23.889 4.209
190 HD2 ARG 23 2HD ARG 23 30.355 -24.863 4.485
191 HD3 ARG 23 3HD ARG 23 29.575 -25.931 3.319
192 HE ARG 23 HE ARG 23 29.656 -24.230 1.807
193 HH11 ARG 23 1HH1 ARG 23 29.887 -22.876 5.006
194 HH12 ARG 23 2HH1 ARG 23 30.147 -21.258 4.444
195 HH21 ARG 23 1HH2 ARG 23 29.998 -22.104 1.054
196 HH22 ARG 23 2HH2 ARG 23 30.209 -20.820 2.196
197 H CYS 24 H CYS 24 27.816 -27.841 5.779
198 HA CYS 24 HA CYS 24 28.187 -29.448 8.019
199 HB2 CYS 24 2HB CYS 24 28.659 -29.681 5.133
200 HB3 CYS 24 3HB CYS 24 29.739 -30.672 6.107
201 HG CYS 24 HG CYS 24 27.685 -32.331 5.337
Start of MODEL 17
1 H1 SER 1 H SER 1 4.032 4.158 -1.394
2 HA SER 1 HA SER 1 3.104 2.876 -3.465
3 HB2 SER 1 2HB SER 1 5.583 2.416 -4.204
4 HB3 SER 1 3HB SER 1 5.026 4.073 -3.972
5 HG SER 1 HG SER 1 7.004 3.741 -2.918
6 H ARG 2 H ARG 2 4.187 0.907 -4.693
7 HA ARG 2 HA ARG 2 3.464 -1.417 -3.175
8 HB2 ARG 2 2HB ARG 2 4.348 -0.916 -5.995
9 HB3 ARG 2 3HB ARG 2 4.316 -2.558 -5.367
10 HG2 ARG 2 2HG ARG 2 1.940 -0.716 -5.311
11 HG3 ARG 2 3HG ARG 2 2.272 -1.850 -6.621
12 HD2 ARG 2 2HD ARG 2 2.295 -2.922 -3.859
13 HD3 ARG 2 3HD ARG 2 0.731 -2.464 -4.530
14 HE ARG 2 HE ARG 2 2.102 -4.038 -6.406
15 HH11 ARG 2 1HH1 ARG 2 0.564 -4.311 -3.294
16 HH12 ARG 2 2HH1 ARG 2 0.139 -5.977 -3.505
17 HH21 ARG 2 1HH2 ARG 2 1.548 -6.231 -6.695
18 HH22 ARG 2 2HH2 ARG 2 0.700 -7.069 -5.440
19 H SER 3 H SER 3 5.069 -1.317 -1.500
20 HA SER 3 HA SER 3 7.808 -1.949 -2.336
21 HB2 SER 3 2HB SER 3 7.083 -1.530 0.531
22 HB3 SER 3 3HB SER 3 8.555 -1.083 -0.332
23 HG SER 3 HG SER 3 7.108 0.469 -1.467
24 H SER 4 H SER 4 5.561 -3.855 -2.446
25 HA SER 4 HA SER 4 6.398 -5.814 -0.422
26 HB2 SER 4 2HB SER 4 3.941 -5.204 -0.684
27 HB3 SER 4 3HB SER 4 3.997 -6.026 -2.243
28 HG SER 4 HG SER 4 3.494 -7.677 -1.007
29 H LEU 5 H LEU 5 6.706 -5.030 -3.704
30 HA LEU 5 HA LEU 5 7.705 -7.739 -4.290
31 HB2 LEU 5 2HB LEU 5 6.495 -5.807 -6.260
32 HB3 LEU 5 3HB LEU 5 7.057 -7.443 -6.600
33 HG LEU 5 HG LEU 5 4.701 -6.718 -4.857
34 HD11 LEU 5 1HD1 LEU 5 4.269 -6.273 -7.208
35 HD12 LEU 5 2HD1 LEU 5 3.361 -7.682 -6.663
36 HD13 LEU 5 3HD1 LEU 5 4.820 -7.894 -7.631
37 HD21 LEU 5 3HD2 LEU 5 5.874 -8.779 -4.172
38 HD22 LEU 5 1HD2 LEU 5 5.661 -9.416 -5.803
39 HD23 LEU 5 2HD2 LEU 5 4.252 -9.091 -4.793
40 H ARG 6 H ARG 6 8.010 -4.299 -5.130
41 HA ARG 6 HA ARG 6 10.560 -4.655 -6.390
42 HB2 ARG 6 2HB ARG 6 8.628 -2.675 -6.395
43 HB3 ARG 6 3HB ARG 6 9.950 -1.944 -5.495
44 HG2 ARG 6 2HG ARG 6 10.774 -1.376 -7.480
45 HG3 ARG 6 3HG ARG 6 11.235 -3.073 -7.638
46 HD2 ARG 6 2HD ARG 6 9.584 -3.522 -9.124
47 HD3 ARG 6 3HD ARG 6 8.457 -2.392 -8.375
48 HE ARG 6 HE ARG 6 10.282 -0.756 -9.497
49 HH11 ARG 6 1HH1 ARG 6 8.441 -3.445 -10.722
50 HH12 ARG 6 2HH1 ARG 6 8.377 -2.832 -12.341
51 HH21 ARG 6 1HH2 ARG 6 10.206 0.061 -11.625
52 HH22 ARG 6 2HH2 ARG 6 9.382 -0.838 -12.854
53 H SER 7 H SER 7 9.637 -4.733 -3.223
54 HA SER 7 HA SER 7 12.304 -3.860 -2.324
55 HB2 SER 7 2HB SER 7 11.088 -2.241 -1.260
56 HB3 SER 7 3HB SER 7 9.611 -3.205 -1.253
57 HG SER 7 HG SER 7 11.741 -3.187 0.560
58 H ARG 8 H ARG 8 10.076 -6.362 -2.571
59 HA ARG 8 HA ARG 8 10.440 -7.834 -0.236
60 HB2 ARG 8 2HB ARG 8 8.770 -8.670 -1.605
61 HB3 ARG 8 3HB ARG 8 9.752 -8.542 -3.058
62 HG2 ARG 8 2HG ARG 8 10.718 -10.443 -1.029
63 HG3 ARG 8 3HG ARG 8 9.196 -10.859 -1.819
64 HD2 ARG 8 2HD ARG 8 10.212 -10.765 -3.980
65 HD3 ARG 8 3HD ARG 8 11.697 -10.091 -3.310
66 HE ARG 8 HE ARG 8 12.349 -12.205 -2.694
67 HH11 ARG 8 1HH1 ARG 8 8.984 -12.236 -3.588
68 HH12 ARG 8 2HH1 ARG 8 8.861 -13.964 -3.569
69 HH21 ARG 8 1HH2 ARG 8 12.198 -14.481 -2.665
70 HH22 ARG 8 2HH2 ARG 8 10.689 -15.240 -3.042
71 H TRP 9 H TRP 9 12.432 -7.621 -3.133
72 HA TRP 9 HA TRP 9 14.217 -9.719 -2.375
73 HB2 TRP 9 2HB TRP 9 15.023 -7.524 -4.246
74 HB3 TRP 9 3HB TRP 9 15.379 -9.247 -4.328
75 HD1 TRP 9 HD1 TRP 9 12.872 -6.665 -5.466
76 HE1 TRP 9 HE1 TRP 9 11.128 -7.783 -6.993
77 HE3 TRP 9 HE3 TRP 9 14.123 -11.558 -4.678
78 HZ2 TRP 9 HZ2 TRP 9 10.381 -10.395 -7.762
79 HZ3 TRP 9 HZ3 TRP 9 12.844 -13.306 -5.847
80 HH2 TRP 9 HH2 TRP 9 11.012 -12.734 -7.356
81 H GLY 10 H GLY 10 13.733 -6.689 -1.120
82 HA2 GLY 10 2HA GLY 10 16.403 -5.815 -0.685
83 HA3 GLY 10 3HA GLY 10 14.981 -5.270 0.191
84 H ARG 11 H ARG 11 14.078 -7.416 1.493
85 HA ARG 11 HA ARG 11 16.230 -7.935 3.390
86 HB2 ARG 11 2HB ARG 11 13.889 -7.110 4.035
87 HB3 ARG 11 3HB ARG 11 13.348 -8.749 3.699
88 HG2 ARG 11 2HG ARG 11 14.574 -9.646 5.468
89 HG3 ARG 11 3HG ARG 11 15.596 -8.214 5.603
90 HD2 ARG 11 2HD ARG 11 13.254 -7.062 6.087
91 HD3 ARG 11 3HD ARG 11 12.845 -8.696 6.610
92 HE ARG 11 HE ARG 11 15.306 -7.812 7.737
93 HH11 ARG 11 1HH1 ARG 11 11.847 -7.546 8.029
94 HH12 ARG 11 2HH1 ARG 11 11.887 -7.178 9.721
95 HH21 ARG 11 1HH2 ARG 11 15.372 -7.328 9.965
96 HH22 ARG 11 2HH2 ARG 11 13.893 -7.053 10.822
97 H PHE 12 H PHE 12 14.001 -9.666 1.279
98 HA PHE 12 HA PHE 12 14.414 -12.269 2.089
99 HB2 PHE 12 2HB PHE 12 12.830 -11.440 0.293
100 HB3 PHE 12 3HB PHE 12 14.206 -11.433 -0.805
101 HD1 PHE 12 HD2 PHE 12 15.232 -13.516 -1.530
102 HD2 PHE 12 HD1 PHE 12 11.826 -13.495 1.023
103 HE1 PHE 12 HE2 PHE 12 14.853 -15.897 -2.021
104 HE2 PHE 12 HE1 PHE 12 11.442 -15.876 0.536
105 HZ PHE 12 HZ PHE 12 12.956 -17.080 -0.989
106 H LEU 13 H LEU 13 16.388 -10.313 -0.104
107 HA LEU 13 HA LEU 13 18.178 -12.226 -0.983
108 HB2 LEU 13 2HB LEU 13 18.350 -9.291 -0.507
109 HB3 LEU 13 3HB LEU 13 19.830 -10.175 -0.875
110 HG LEU 13 HG LEU 13 18.310 -9.008 -2.743
111 HD11 LEU 13 1HD1 LEU 13 20.039 -11.443 -2.824
112 HD12 LEU 13 2HD1 LEU 13 20.369 -9.812 -3.405
113 HD13 LEU 13 3HD1 LEU 13 19.263 -10.857 -4.296
114 HD21 LEU 13 3HD2 LEU 13 16.388 -10.500 -2.149
115 HD22 LEU 13 1HD2 LEU 13 17.340 -11.860 -2.745
116 HD23 LEU 13 2HD2 LEU 13 16.876 -10.561 -3.844
117 H LEU 14 H LEU 14 17.955 -10.670 2.126
118 HA LEU 14 HA LEU 14 20.514 -11.177 3.124
119 HB2 LEU 14 2HB LEU 14 19.708 -10.460 5.104
120 HB3 LEU 14 3HB LEU 14 18.365 -9.932 4.092
121 HG LEU 14 HG LEU 14 17.403 -12.307 4.715
122 HD11 LEU 14 1HD1 LEU 14 18.216 -13.339 6.546
123 HD12 LEU 14 2HD1 LEU 14 18.674 -11.828 7.331
124 HD13 LEU 14 3HD1 LEU 14 19.708 -12.522 6.083
125 HD21 LEU 14 3HD2 LEU 14 17.114 -10.580 7.036
126 HD22 LEU 14 1HD2 LEU 14 15.913 -11.102 5.854
127 HD23 LEU 14 2HD2 LEU 14 16.939 -9.708 5.511
128 H GLN 15 H GLN 15 17.798 -13.287 2.637
129 HA GLN 15 HA GLN 15 18.856 -15.401 4.295
130 HB2 GLN 15 2HB GLN 15 16.861 -16.457 3.985
131 HB3 GLN 15 3HB GLN 15 16.352 -14.825 3.574
132 HG2 GLN 15 2HG GLN 15 16.806 -15.386 1.176
133 HG3 GLN 15 3HG GLN 15 17.051 -17.056 1.686
134 HE21 GLN 15 1HE2 GLN 15 15.351 -18.197 1.110
135 HE22 GLN 15 2HE2 GLN 15 13.698 -17.737 1.315
136 H ARG 16 H ARG 16 19.670 -14.210 1.329
137 HA ARG 16 HA ARG 16 20.683 -16.830 0.438
138 HB2 ARG 16 2HB ARG 16 20.394 -14.722 -1.605
139 HB3 ARG 16 3HB ARG 16 20.057 -16.445 -1.706
140 HG2 ARG 16 2HG ARG 16 17.990 -15.981 -0.319
141 HG3 ARG 16 3HG ARG 16 18.296 -14.270 -0.623
142 HD2 ARG 16 2HD ARG 16 16.698 -15.170 -2.228
143 HD3 ARG 16 3HD ARG 16 18.189 -14.677 -3.030
144 HE ARG 16 HE ARG 16 18.467 -16.836 -3.699
145 HH11 ARG 16 1HH1 ARG 16 16.335 -16.798 -0.947
146 HH12 ARG 16 2HH1 ARG 16 16.003 -18.497 -1.016
147 HH21 ARG 16 1HH2 ARG 16 18.038 -19.074 -3.800
148 HH22 ARG 16 2HH2 ARG 16 16.973 -19.791 -2.639
149 H GLY 17 H GLY 17 21.437 -13.704 1.462
150 HA2 GLY 17 2HA GLY 17 24.201 -14.026 0.466
151 HA3 GLY 17 3HA GLY 17 23.408 -12.459 0.514
152 H SER 18 H SER 18 22.135 -13.509 3.139
153 HA SER 18 HA SER 18 24.463 -12.887 4.838
154 HB2 SER 18 2HB SER 18 21.656 -12.339 5.732
155 HB3 SER 18 3HB SER 18 23.155 -11.546 6.212
156 HG SER 18 HG SER 18 22.781 -10.135 4.717
157 H TRP 19 H TRP 19 22.043 -15.139 4.092
158 HA TRP 19 HA TRP 19 22.801 -16.743 6.425
159 HB2 TRP 19 2HB TRP 19 20.604 -15.638 6.878
160 HB3 TRP 19 3HB TRP 19 19.945 -16.466 5.470
161 HD1 TRP 19 HD1 TRP 19 19.777 -19.196 5.648
162 HE1 TRP 19 HE1 TRP 19 19.431 -20.699 7.709
163 HE3 TRP 19 HE3 TRP 19 21.091 -15.874 9.304
164 HZ2 TRP 19 HZ2 TRP 19 19.682 -20.502 10.513
165 HZ3 TRP 19 HZ3 TRP 19 21.010 -16.610 11.651
166 HH2 TRP 19 HH2 TRP 19 20.320 -18.876 12.241
167 H THR 20 H THR 20 24.025 -18.147 5.233
168 HA THR 20 HA THR 20 22.787 -19.464 2.927
169 HB THR 20 HB THR 20 25.086 -18.557 2.666
170 HG1 THR 20 HG1 THR 20 24.170 -20.682 1.707
171 HG21 THR 20 3HG2 THR 20 26.882 -19.233 3.914
172 HG22 THR 20 1HG2 THR 20 26.178 -20.808 4.276
173 HG23 THR 20 2HG2 THR 20 25.616 -19.373 5.134
174 H GLY 21 H GLY 21 22.317 -19.945 5.934
175 HA2 GLY 21 2HA GLY 21 21.948 -21.737 7.325
176 HA3 GLY 21 3HA GLY 21 21.669 -22.628 5.836
177 HA PRO 22 HA PRO 22 25.322 -24.467 8.064
178 HB2 PRO 22 2HB PRO 22 24.416 -27.025 7.961
179 HB3 PRO 22 3HB PRO 22 23.999 -25.910 9.268
180 HG2 PRO 22 2HG PRO 22 22.407 -26.675 6.851
181 HG3 PRO 22 3HG PRO 22 21.870 -26.484 8.530
182 HD2 PRO 22 2HD PRO 22 21.477 -24.576 6.649
183 HD3 PRO 22 3HD PRO 22 21.743 -24.189 8.361
184 H ARG 23 H ARG 23 26.826 -24.268 6.473
185 HA ARG 23 HA ARG 23 26.491 -25.461 3.882
186 HB2 ARG 23 2HB ARG 23 28.372 -23.647 5.177
187 HB3 ARG 23 3HB ARG 23 29.173 -24.807 4.126
188 HG2 ARG 23 2HG ARG 23 28.107 -24.022 2.227
189 HG3 ARG 23 3HG ARG 23 26.802 -23.274 3.149
190 HD2 ARG 23 2HD ARG 23 28.036 -21.416 3.651
191 HD3 ARG 23 3HD ARG 23 29.568 -22.287 3.594
192 HE ARG 23 HE ARG 23 28.349 -20.863 1.467
193 HH11 ARG 23 1HH1 ARG 23 30.227 -23.712 2.159
194 HH12 ARG 23 2HH1 ARG 23 30.959 -23.769 0.590
195 HH21 ARG 23 1HH2 ARG 23 29.307 -20.928 -0.602
196 HH22 ARG 23 2HH2 ARG 23 30.436 -22.184 -0.980
197 H CYS 24 H CYS 24 29.233 -25.857 6.112
198 HA CYS 24 HA CYS 24 29.594 -28.578 5.163
199 HB2 CYS 24 2HB CYS 24 31.218 -26.829 7.017
200 HB3 CYS 24 3HB CYS 24 31.643 -28.494 6.636
201 HG CYS 24 HG CYS 24 31.937 -27.980 3.875
Start of MODEL 18
1 H1 SER 1 H SER 1 0.761 -2.909 -5.165
2 HA SER 1 HA SER 1 3.616 -3.135 -5.664
3 HB2 SER 1 2HB SER 1 3.230 -1.041 -7.027
4 HB3 SER 1 3HB SER 1 2.312 -2.451 -7.554
5 HG SER 1 HG SER 1 0.829 -0.866 -7.477
6 H ARG 2 H ARG 2 3.145 -2.830 -2.987
7 HA ARG 2 HA ARG 2 3.945 -0.040 -2.477
8 HB2 ARG 2 2HB ARG 2 2.682 -1.894 -0.461
9 HB3 ARG 2 3HB ARG 2 2.930 -0.158 -0.322
10 HG2 ARG 2 2HG ARG 2 1.029 -1.550 -2.196
11 HG3 ARG 2 3HG ARG 2 0.604 -0.640 -0.745
12 HD2 ARG 2 2HD ARG 2 1.807 0.412 -3.298
13 HD3 ARG 2 3HD ARG 2 0.217 0.774 -2.626
14 HE ARG 2 HE ARG 2 2.689 2.029 -1.954
15 HH11 ARG 2 1HH1 ARG 2 -0.418 1.099 -0.689
16 HH12 ARG 2 2HH1 ARG 2 -0.436 2.329 0.531
17 HH21 ARG 2 1HH2 ARG 2 2.678 3.653 -0.352
18 HH22 ARG 2 2HH2 ARG 2 1.325 3.782 0.721
19 H SER 3 H SER 3 5.996 -1.437 -3.241
20 HA SER 3 HA SER 3 8.074 -2.181 -2.688
21 HB2 SER 3 2HB SER 3 7.665 -1.442 0.181
22 HB3 SER 3 3HB SER 3 9.080 -1.210 -0.845
23 HG SER 3 HG SER 3 7.722 0.704 -0.286
24 H SER 4 H SER 4 5.748 -3.950 -2.411
25 HA SER 4 HA SER 4 6.686 -5.769 -0.299
26 HB2 SER 4 2HB SER 4 4.047 -5.695 -1.783
27 HB3 SER 4 3HB SER 4 4.482 -6.886 -0.558
28 HG SER 4 HG SER 4 4.586 -5.238 0.962
29 H LEU 5 H LEU 5 6.646 -5.299 -3.657
30 HA LEU 5 HA LEU 5 7.403 -8.113 -4.094
31 HB2 LEU 5 2HB LEU 5 6.682 -7.534 -6.530
32 HB3 LEU 5 3HB LEU 5 5.477 -7.985 -5.325
33 HG LEU 5 HG LEU 5 5.922 -5.109 -5.452
34 HD11 LEU 5 1HD1 LEU 5 4.931 -6.539 -7.912
35 HD12 LEU 5 2HD1 LEU 5 6.364 -5.520 -7.786
36 HD13 LEU 5 3HD1 LEU 5 4.759 -4.810 -7.608
37 HD21 LEU 5 3HD2 LEU 5 4.011 -6.675 -4.478
38 HD22 LEU 5 1HD2 LEU 5 3.335 -6.413 -6.086
39 HD23 LEU 5 2HD2 LEU 5 3.686 -5.035 -5.042
40 H ARG 6 H ARG 6 7.834 -4.795 -5.302
41 HA ARG 6 HA ARG 6 10.214 -5.455 -6.756
42 HB2 ARG 6 2HB ARG 6 8.514 -3.520 -7.159
43 HB3 ARG 6 3HB ARG 6 9.468 -2.661 -5.958
44 HG2 ARG 6 2HG ARG 6 11.314 -2.525 -7.319
45 HG3 ARG 6 3HG ARG 6 10.845 -3.934 -8.273
46 HD2 ARG 6 2HD ARG 6 8.855 -2.485 -9.030
47 HD3 ARG 6 3HD ARG 6 9.794 -1.130 -8.407
48 HE ARG 6 HE ARG 6 11.544 -2.412 -10.029
49 HH11 ARG 6 1HH1 ARG 6 8.308 -1.202 -10.460
50 HH12 ARG 6 2HH1 ARG 6 8.519 -0.866 -12.147
51 HH21 ARG 6 1HH2 ARG 6 11.833 -1.974 -12.249
52 HH22 ARG 6 2HH2 ARG 6 10.524 -1.306 -13.163
53 H SER 7 H SER 7 9.620 -5.153 -3.524
54 HA SER 7 HA SER 7 12.415 -4.394 -2.983
55 HB2 SER 7 2HB SER 7 11.365 -2.579 -2.032
56 HB3 SER 7 3HB SER 7 9.890 -3.479 -1.682
57 HG SER 7 HG SER 7 10.666 -3.601 0.262
58 H ARG 8 H ARG 8 10.053 -6.755 -2.787
59 HA ARG 8 HA ARG 8 10.528 -8.004 -0.341
60 HB2 ARG 8 2HB ARG 8 8.716 -8.910 -1.428
61 HB3 ARG 8 3HB ARG 8 9.514 -8.896 -2.995
62 HG2 ARG 8 2HG ARG 8 10.588 -10.727 -0.927
63 HG3 ARG 8 3HG ARG 8 9.039 -11.134 -1.667
64 HD2 ARG 8 2HD ARG 8 11.196 -10.311 -3.508
65 HD3 ARG 8 3HD ARG 8 11.415 -11.859 -2.693
66 HE ARG 8 HE ARG 8 9.562 -11.264 -4.786
67 HH11 ARG 8 1HH1 ARG 8 10.109 -13.260 -1.987
68 HH12 ARG 8 2HH1 ARG 8 9.072 -14.536 -2.533
69 HH21 ARG 8 1HH2 ARG 8 8.194 -12.937 -5.515
70 HH22 ARG 8 2HH2 ARG 8 7.984 -14.352 -4.540
71 H TRP 9 H TRP 9 12.342 -8.081 -3.335
72 HA TRP 9 HA TRP 9 14.025 -10.267 -2.593
73 HB2 TRP 9 2HB TRP 9 14.875 -8.202 -4.587
74 HB3 TRP 9 3HB TRP 9 15.098 -9.949 -4.623
75 HD1 TRP 9 HD1 TRP 9 12.730 -7.224 -5.725
76 HE1 TRP 9 HE1 TRP 9 10.826 -8.257 -7.114
77 HE3 TRP 9 HE3 TRP 9 13.655 -12.169 -4.817
78 HZ2 TRP 9 HZ2 TRP 9 9.845 -10.829 -7.741
79 HZ3 TRP 9 HZ3 TRP 9 12.187 -13.852 -5.849
80 HH2 TRP 9 HH2 TRP 9 10.321 -13.194 -7.280
81 H GLY 10 H GLY 10 13.805 -7.169 -1.435
82 HA2 GLY 10 2HA GLY 10 16.593 -6.560 -1.136
83 HA3 GLY 10 3HA GLY 10 15.256 -5.739 -0.345
84 H ARG 11 H ARG 11 14.076 -7.720 1.097
85 HA ARG 11 HA ARG 11 16.122 -8.240 3.114
86 HB2 ARG 11 2HB ARG 11 13.816 -7.136 3.553
87 HB3 ARG 11 3HB ARG 11 13.187 -8.776 3.460
88 HG2 ARG 11 2HG ARG 11 15.154 -9.204 5.198
89 HG3 ARG 11 3HG ARG 11 14.859 -7.497 5.537
90 HD2 ARG 11 2HD ARG 11 13.500 -8.809 7.012
91 HD3 ARG 11 3HD ARG 11 12.449 -8.035 5.827
92 HE ARG 11 HE ARG 11 11.850 -10.106 5.072
93 HH11 ARG 11 1HH1 ARG 11 14.788 -10.386 6.918
94 HH12 ARG 11 2HH1 ARG 11 14.803 -12.118 6.877
95 HH21 ARG 11 1HH2 ARG 11 11.859 -12.386 5.011
96 HH22 ARG 11 2HH2 ARG 11 13.137 -13.255 5.791
97 H PHE 12 H PHE 12 14.205 -9.878 0.774
98 HA PHE 12 HA PHE 12 14.280 -12.467 1.974
99 HB2 PHE 12 2HB PHE 12 12.551 -12.027 0.376
100 HB3 PHE 12 3HB PHE 12 13.723 -11.544 -0.846
101 HD1 PHE 12 HD2 PHE 12 13.049 -14.502 1.332
102 HD2 PHE 12 HD1 PHE 12 14.106 -13.047 -2.525
103 HE1 PHE 12 HE2 PHE 12 13.104 -16.809 0.481
104 HE2 PHE 12 HE1 PHE 12 14.162 -15.352 -3.383
105 HZ PHE 12 HZ PHE 12 13.662 -17.237 -1.879
106 H LEU 13 H LEU 13 16.202 -10.822 -0.504
107 HA LEU 13 HA LEU 13 17.827 -12.937 -1.282
108 HB2 LEU 13 2HB LEU 13 18.162 -9.976 -1.209
109 HB3 LEU 13 3HB LEU 13 19.555 -10.984 -1.595
110 HG LEU 13 HG LEU 13 17.931 -9.967 -3.454
111 HD11 LEU 13 1HD1 LEU 13 19.532 -10.986 -4.601
112 HD12 LEU 13 2HD1 LEU 13 18.593 -12.475 -4.497
113 HD13 LEU 13 3HD1 LEU 13 19.824 -12.123 -3.285
114 HD21 LEU 13 3HD2 LEU 13 16.313 -11.562 -4.212
115 HD22 LEU 13 1HD2 LEU 13 15.978 -11.200 -2.518
116 HD23 LEU 13 2HD2 LEU 13 16.781 -12.709 -2.955
117 H LEU 14 H LEU 14 17.805 -11.124 1.654
118 HA LEU 14 HA LEU 14 20.466 -11.629 2.487
119 HB2 LEU 14 2HB LEU 14 17.944 -10.785 3.835
120 HB3 LEU 14 3HB LEU 14 19.315 -11.290 4.821
121 HG LEU 14 HG LEU 14 19.096 -8.820 4.486
122 HD11 LEU 14 1HD1 LEU 14 21.630 -10.011 3.374
123 HD12 LEU 14 2HD1 LEU 14 21.221 -9.951 5.088
124 HD13 LEU 14 3HD1 LEU 14 21.447 -8.454 4.183
125 HD21 LEU 14 3HD2 LEU 14 19.357 -7.806 2.442
126 HD22 LEU 14 1HD2 LEU 14 18.458 -9.252 1.983
127 HD23 LEU 14 2HD2 LEU 14 20.204 -9.187 1.742
128 H GLN 15 H GLN 15 17.610 -13.552 2.416
129 HA GLN 15 HA GLN 15 18.530 -15.445 4.397
130 HB2 GLN 15 2HB GLN 15 16.477 -16.487 4.177
131 HB3 GLN 15 3HB GLN 15 16.076 -14.827 3.759
132 HG2 GLN 15 2HG GLN 15 15.061 -15.805 2.014
133 HG3 GLN 15 3HG GLN 15 16.683 -15.770 1.324
134 HE21 GLN 15 1HE2 GLN 15 16.598 -17.560 0.087
135 HE22 GLN 15 2HE2 GLN 15 16.364 -19.158 0.699
136 H ARG 16 H ARG 16 19.245 -14.838 1.195
137 HA ARG 16 HA ARG 16 20.088 -17.630 0.763
138 HB2 ARG 16 2HB ARG 16 19.770 -17.365 -1.580
139 HB3 ARG 16 3HB ARG 16 18.317 -16.750 -0.804
140 HG2 ARG 16 2HG ARG 16 18.994 -14.490 -1.164
141 HG3 ARG 16 3HG ARG 16 20.584 -15.005 -1.730
142 HD2 ARG 16 2HD ARG 16 17.992 -15.732 -3.084
143 HD3 ARG 16 3HD ARG 16 18.990 -14.353 -3.543
144 HE ARG 16 HE ARG 16 19.464 -17.107 -4.163
145 HH11 ARG 16 1HH1 ARG 16 20.987 -14.024 -3.618
146 HH12 ARG 16 2HH1 ARG 16 22.390 -14.403 -4.561
147 HH21 ARG 16 1HH2 ARG 16 21.306 -17.618 -5.408
148 HH22 ARG 16 2HH2 ARG 16 22.570 -16.447 -5.580
149 H GLY 17 H GLY 17 21.055 -14.375 1.086
150 HA2 GLY 17 2HA GLY 17 23.762 -15.075 0.124
151 HA3 GLY 17 3HA GLY 17 23.078 -13.462 -0.024
152 H SER 18 H SER 18 21.866 -14.019 2.769
153 HA SER 18 HA SER 18 24.312 -13.351 4.272
154 HB2 SER 18 2HB SER 18 21.764 -11.974 4.054
155 HB3 SER 18 3HB SER 18 22.149 -12.355 5.732
156 HG SER 18 HG SER 18 24.266 -11.403 5.255
157 H TRP 19 H TRP 19 21.720 -15.498 3.943
158 HA TRP 19 HA TRP 19 22.218 -16.588 6.636
159 HB2 TRP 19 2HB TRP 19 19.905 -15.720 6.302
160 HB3 TRP 19 3HB TRP 19 19.692 -16.884 4.997
161 HD1 TRP 19 HD1 TRP 19 19.585 -19.504 5.709
162 HE1 TRP 19 HE1 TRP 19 18.869 -20.613 7.918
163 HE3 TRP 19 HE3 TRP 19 19.900 -15.441 8.795
164 HZ2 TRP 19 HZ2 TRP 19 18.487 -19.865 10.613
165 HZ3 TRP 19 HZ3 TRP 19 19.342 -15.722 11.175
166 HH2 TRP 19 HH2 TRP 19 18.649 -17.889 12.063
167 H THR 20 H THR 20 23.925 -17.900 5.925
168 HA THR 20 HA THR 20 23.267 -19.965 3.946
169 HB THR 20 HB THR 20 25.350 -18.768 3.525
170 HG1 THR 20 HG1 THR 20 25.595 -20.804 2.826
171 HG21 THR 20 3HG2 THR 20 25.697 -19.118 6.369
172 HG22 THR 20 1HG2 THR 20 26.562 -18.057 5.258
173 HG23 THR 20 2HG2 THR 20 27.100 -19.721 5.487
174 H GLY 21 H GLY 21 22.877 -19.609 7.119
175 HA2 GLY 21 2HA GLY 21 22.695 -21.038 8.906
176 HA3 GLY 21 3HA GLY 21 22.503 -22.302 7.701
177 HA PRO 22 HA PRO 22 26.454 -22.909 10.177
178 HB2 PRO 22 2HB PRO 22 25.793 -25.333 11.205
179 HB3 PRO 22 3HB PRO 22 25.396 -23.809 12.007
180 HG2 PRO 22 2HG PRO 22 23.664 -25.562 10.308
181 HG3 PRO 22 3HG PRO 22 23.272 -24.738 11.828
182 HD2 PRO 22 2HD PRO 22 22.521 -23.773 9.412
183 HD3 PRO 22 3HD PRO 22 22.909 -22.715 10.784
184 H ARG 23 H ARG 23 27.149 -23.062 7.883
185 HA ARG 23 HA ARG 23 27.205 -25.818 6.868
186 HB2 ARG 23 2HB ARG 23 26.357 -24.205 5.274
187 HB3 ARG 23 3HB ARG 23 27.772 -23.185 5.498
188 HG2 ARG 23 2HG ARG 23 29.176 -24.982 4.557
189 HG3 ARG 23 3HG ARG 23 27.716 -25.928 4.260
190 HD2 ARG 23 2HD ARG 23 27.799 -23.154 3.210
191 HD3 ARG 23 3HD ARG 23 28.804 -24.360 2.407
192 HE ARG 23 HE ARG 23 26.220 -25.401 2.718
193 HH11 ARG 23 1HH1 ARG 23 27.903 -22.922 0.945
194 HH12 ARG 23 2HH1 ARG 23 26.811 -22.960 -0.400
195 HH21 ARG 23 1HH2 ARG 23 24.775 -25.459 0.953
196 HH22 ARG 23 2HH2 ARG 23 25.032 -24.402 -0.393
197 H CYS 24 H CYS 24 29.151 -26.797 6.258
198 HA CYS 24 HA CYS 24 31.373 -26.210 7.910
199 HB2 CYS 24 2HB CYS 24 30.862 -28.488 7.150
200 HB3 CYS 24 3HB CYS 24 31.196 -28.016 5.489
201 HG CYS 24 HG CYS 24 33.610 -28.862 5.630
Start of MODEL 19
1 H1 SER 1 H SER 1 2.684 -2.426 -7.641
2 HA SER 1 HA SER 1 1.887 -4.036 -5.519
3 HB2 SER 1 2HB SER 1 4.396 -4.465 -5.251
4 HB3 SER 1 3HB SER 1 3.702 -4.798 -6.838
5 HG SER 1 HG SER 1 4.849 -2.291 -6.237
6 H ARG 2 H ARG 2 2.657 -4.132 -3.321
7 HA ARG 2 HA ARG 2 3.059 -1.449 -2.181
8 HB2 ARG 2 2HB ARG 2 2.202 -2.558 -0.052
9 HB3 ARG 2 3HB ARG 2 1.033 -2.317 -1.343
10 HG2 ARG 2 2HG ARG 2 1.070 -4.607 -1.933
11 HG3 ARG 2 3HG ARG 2 2.490 -4.911 -0.930
12 HD2 ARG 2 2HD ARG 2 1.107 -4.273 1.060
13 HD3 ARG 2 3HD ARG 2 -0.295 -4.229 -0.008
14 HE ARG 2 HE ARG 2 1.015 -6.709 -0.269
15 HH11 ARG 2 1HH1 ARG 2 -0.938 -4.903 1.977
16 HH12 ARG 2 2HH1 ARG 2 -1.618 -6.312 2.720
17 HH21 ARG 2 1HH2 ARG 2 0.127 -8.572 0.702
18 HH22 ARG 2 2HH2 ARG 2 -1.011 -8.399 1.995
19 H SER 3 H SER 3 5.360 -2.278 -3.033
20 HA SER 3 HA SER 3 7.508 -2.763 -2.463
21 HB2 SER 3 2HB SER 3 6.692 -2.770 0.434
22 HB3 SER 3 3HB SER 3 8.217 -2.249 -0.281
23 HG SER 3 HG SER 3 7.198 -0.381 0.092
24 H SER 4 H SER 4 5.458 -4.900 -2.755
25 HA SER 4 HA SER 4 6.483 -6.999 -1.004
26 HB2 SER 4 2HB SER 4 4.249 -7.019 -3.048
27 HB3 SER 4 3HB SER 4 4.699 -8.395 -2.041
28 HG SER 4 HG SER 4 4.340 -6.822 -0.234
29 H LEU 5 H LEU 5 7.021 -5.725 -4.098
30 HA LEU 5 HA LEU 5 8.487 -8.158 -4.881
31 HB2 LEU 5 2HB LEU 5 7.343 -6.150 -6.803
32 HB3 LEU 5 3HB LEU 5 8.006 -7.743 -7.165
33 HG LEU 5 HG LEU 5 5.454 -7.271 -5.627
34 HD11 LEU 5 1HD1 LEU 5 4.232 -7.531 -7.555
35 HD12 LEU 5 2HD1 LEU 5 5.547 -8.333 -8.413
36 HD13 LEU 5 3HD1 LEU 5 5.603 -6.591 -8.144
37 HD21 LEU 5 3HD2 LEU 5 7.112 -9.557 -5.992
38 HD22 LEU 5 1HD2 LEU 5 5.600 -9.812 -6.863
39 HD23 LEU 5 2HD2 LEU 5 5.572 -9.431 -5.141
40 H ARG 6 H ARG 6 8.361 -4.622 -5.163
41 HA ARG 6 HA ARG 6 11.021 -4.401 -6.184
42 HB2 ARG 6 2HB ARG 6 8.888 -2.528 -5.315
43 HB3 ARG 6 3HB ARG 6 10.538 -1.922 -5.277
44 HG2 ARG 6 2HG ARG 6 10.706 -2.761 -7.687
45 HG3 ARG 6 3HG ARG 6 8.946 -2.871 -7.629
46 HD2 ARG 6 2HD ARG 6 9.182 -0.747 -8.438
47 HD3 ARG 6 3HD ARG 6 9.161 -0.414 -6.707
48 HE ARG 6 HE ARG 6 11.813 -0.839 -7.557
49 HH11 ARG 6 1HH1 ARG 6 9.235 1.490 -7.790
50 HH12 ARG 6 2HH1 ARG 6 10.300 2.843 -7.979
51 HH21 ARG 6 1HH2 ARG 6 13.225 0.935 -7.805
52 HH22 ARG 6 2HH2 ARG 6 12.569 2.527 -7.989
53 H SER 7 H SER 7 9.866 -5.173 -3.173
54 HA SER 7 HA SER 7 12.294 -4.138 -1.861
55 HB2 SER 7 2HB SER 7 9.779 -3.451 -1.148
56 HB3 SER 7 3HB SER 7 9.990 -4.896 -0.159
57 HG SER 7 HG SER 7 10.770 -2.598 0.531
58 H ARG 8 H ARG 8 10.423 -6.874 -2.693
59 HA ARG 8 HA ARG 8 11.028 -8.735 -0.751
60 HB2 ARG 8 2HB ARG 8 9.525 -9.186 -2.634
61 HB3 ARG 8 3HB ARG 8 10.893 -9.174 -3.739
62 HG2 ARG 8 2HG ARG 8 10.927 -11.069 -1.446
63 HG3 ARG 8 3HG ARG 8 9.893 -11.421 -2.833
64 HD2 ARG 8 2HD ARG 8 12.443 -10.600 -3.792
65 HD3 ARG 8 3HD ARG 8 12.685 -11.834 -2.556
66 HE ARG 8 HE ARG 8 10.684 -12.475 -4.537
67 HH11 ARG 8 1HH1 ARG 8 14.039 -12.677 -3.630
68 HH12 ARG 8 2HH1 ARG 8 14.365 -14.045 -4.642
69 HH21 ARG 8 1HH2 ARG 8 11.101 -14.276 -5.873
70 HH22 ARG 8 2HH2 ARG 8 12.694 -14.953 -5.918
71 H TRP 9 H TRP 9 12.903 -8.109 -3.721
72 HA TRP 9 HA TRP 9 15.030 -9.822 -3.136
73 HB2 TRP 9 2HB TRP 9 15.421 -7.251 -4.643
74 HB3 TRP 9 3HB TRP 9 16.169 -8.821 -4.923
75 HD1 TRP 9 HD1 TRP 9 13.157 -6.747 -5.856
76 HE1 TRP 9 HE1 TRP 9 11.751 -8.018 -7.597
77 HE3 TRP 9 HE3 TRP 9 15.487 -11.291 -5.620
78 HZ2 TRP 9 HZ2 TRP 9 11.643 -10.606 -8.720
79 HZ3 TRP 9 HZ3 TRP 9 14.671 -13.112 -7.060
80 HH2 TRP 9 HH2 TRP 9 12.788 -12.774 -8.577
81 H GLY 10 H GLY 10 14.179 -6.813 -1.754
82 HA2 GLY 10 2HA GLY 10 16.705 -5.832 -0.995
83 HA3 GLY 10 3HA GLY 10 15.188 -5.479 -0.183
84 H ARG 11 H ARG 11 14.353 -7.529 1.084
85 HA ARG 11 HA ARG 11 16.426 -8.110 3.010
86 HB2 ARG 11 2HB ARG 11 14.019 -7.519 3.577
87 HB3 ARG 11 3HB ARG 11 13.589 -9.134 3.030
88 HG2 ARG 11 2HG ARG 11 15.360 -9.935 4.725
89 HG3 ARG 11 3HG ARG 11 15.199 -8.318 5.413
90 HD2 ARG 11 2HD ARG 11 13.686 -9.652 6.618
91 HD3 ARG 11 3HD ARG 11 12.696 -8.758 5.465
92 HE ARG 11 HE ARG 11 13.199 -11.053 4.151
93 HH11 ARG 11 1HH1 ARG 11 12.023 -10.378 7.357
94 HH12 ARG 11 2HH1 ARG 11 11.070 -11.822 7.453
95 HH21 ARG 11 1HH2 ARG 11 11.949 -12.958 4.265
96 HH22 ARG 11 2HH2 ARG 11 11.029 -13.289 5.694
97 H PHE 12 H PHE 12 14.504 -9.869 0.637
98 HA PHE 12 HA PHE 12 15.084 -12.479 1.309
99 HB2 PHE 12 2HB PHE 12 13.536 -11.770 -0.507
100 HB3 PHE 12 3HB PHE 12 14.933 -11.375 -1.503
101 HD1 PHE 12 HD2 PHE 12 16.511 -13.218 -2.159
102 HD2 PHE 12 HD1 PHE 12 12.720 -13.961 -0.373
103 HE1 PHE 12 HE2 PHE 12 16.586 -15.538 -2.974
104 HE2 PHE 12 HE1 PHE 12 12.789 -16.283 -1.185
105 HZ PHE 12 HZ PHE 12 14.724 -17.074 -2.488
106 H LEU 13 H LEU 13 16.990 -10.286 -0.736
107 HA LEU 13 HA LEU 13 19.017 -12.036 -1.464
108 HB2 LEU 13 2HB LEU 13 18.861 -9.080 -1.099
109 HB3 LEU 13 3HB LEU 13 20.429 -9.827 -1.401
110 HG LEU 13 HG LEU 13 18.852 -8.875 -3.343
111 HD11 LEU 13 1HD1 LEU 13 20.976 -10.883 -3.177
112 HD12 LEU 13 2HD1 LEU 13 20.834 -9.458 -4.205
113 HD13 LEU 13 3HD1 LEU 13 20.016 -10.954 -4.655
114 HD21 LEU 13 3HD2 LEU 13 18.151 -11.804 -3.230
115 HD22 LEU 13 1HD2 LEU 13 17.628 -10.623 -4.431
116 HD23 LEU 13 2HD2 LEU 13 17.056 -10.500 -2.768
117 H LEU 14 H LEU 14 18.606 -10.162 1.489
118 HA LEU 14 HA LEU 14 21.144 -10.545 2.600
119 HB2 LEU 14 2HB LEU 14 18.516 -10.353 4.063
120 HB3 LEU 14 3HB LEU 14 20.115 -10.045 4.738
121 HG LEU 14 HG LEU 14 18.726 -8.395 2.627
122 HD11 LEU 14 1HD1 LEU 14 18.512 -6.715 4.318
123 HD12 LEU 14 2HD1 LEU 14 19.409 -7.696 5.477
124 HD13 LEU 14 3HD1 LEU 14 17.813 -8.213 4.934
125 HD21 LEU 14 3HD2 LEU 14 21.136 -8.423 2.291
126 HD22 LEU 14 1HD2 LEU 14 21.392 -8.008 3.985
127 HD23 LEU 14 2HD2 LEU 14 20.611 -6.854 2.903
128 H GLN 15 H GLN 15 18.571 -12.750 2.110
129 HA GLN 15 HA GLN 15 19.404 -14.603 4.167
130 HB2 GLN 15 2HB GLN 15 17.507 -15.171 1.896
131 HB3 GLN 15 3HB GLN 15 17.601 -15.980 3.454
132 HG2 GLN 15 2HG GLN 15 16.936 -13.783 4.498
133 HG3 GLN 15 3HG GLN 15 16.586 -13.217 2.865
134 HE21 GLN 15 1HE2 GLN 15 15.569 -15.204 5.484
135 HE22 GLN 15 2HE2 GLN 15 14.044 -15.673 4.822
136 H ARG 16 H ARG 16 20.461 -13.816 1.090
137 HA ARG 16 HA ARG 16 21.697 -16.470 0.750
138 HB2 ARG 16 2HB ARG 16 21.698 -16.136 -1.630
139 HB3 ARG 16 3HB ARG 16 20.067 -15.856 -1.035
140 HG2 ARG 16 2HG ARG 16 20.233 -13.541 -1.331
141 HG3 ARG 16 3HG ARG 16 21.991 -13.599 -1.471
142 HD2 ARG 16 2HD ARG 16 21.108 -15.258 -3.501
143 HD3 ARG 16 3HD ARG 16 19.946 -13.931 -3.507
144 HE ARG 16 HE ARG 16 21.583 -12.552 -4.313
145 HH11 ARG 16 1HH1 ARG 16 23.056 -15.430 -3.022
146 HH12 ARG 16 2HH1 ARG 16 24.640 -15.039 -3.605
147 HH21 ARG 16 1HH2 ARG 16 23.664 -12.025 -5.086
148 HH22 ARG 16 2HH2 ARG 16 24.985 -13.101 -4.778
149 H GLY 17 H GLY 17 22.194 -13.130 1.223
150 HA2 GLY 17 2HA GLY 17 25.070 -13.467 0.625
151 HA3 GLY 17 3HA GLY 17 24.214 -11.952 0.380
152 H SER 18 H SER 18 22.723 -12.706 2.990
153 HA SER 18 HA SER 18 24.840 -11.745 4.803
154 HB2 SER 18 2HB SER 18 22.458 -10.468 4.132
155 HB3 SER 18 3HB SER 18 22.129 -11.188 5.708
156 HG SER 18 HG SER 18 23.629 -9.950 6.612
157 H TRP 19 H TRP 19 22.639 -14.218 4.132
158 HA TRP 19 HA TRP 19 22.916 -15.273 6.870
159 HB2 TRP 19 2HB TRP 19 20.570 -14.702 6.234
160 HB3 TRP 19 3HB TRP 19 20.680 -15.873 4.923
161 HD1 TRP 19 HD1 TRP 19 20.817 -18.490 5.635
162 HE1 TRP 19 HE1 TRP 19 19.977 -19.701 7.745
163 HE3 TRP 19 HE3 TRP 19 20.221 -14.448 8.708
164 HZ2 TRP 19 HZ2 TRP 19 19.168 -19.031 10.366
165 HZ3 TRP 19 HZ3 TRP 19 19.410 -14.819 11.001
166 HH2 TRP 19 HH2 TRP 19 18.894 -17.064 11.811
167 H THR 20 H THR 20 24.859 -16.338 6.377
168 HA THR 20 HA THR 20 24.734 -18.434 4.328
169 HB THR 20 HB THR 20 26.684 -16.986 4.184
170 HG1 THR 20 HG1 THR 20 28.165 -18.629 4.044
171 HG21 THR 20 3HG2 THR 20 27.481 -16.120 6.086
172 HG22 THR 20 1HG2 THR 20 28.296 -17.664 6.333
173 HG23 THR 20 2HG2 THR 20 26.718 -17.374 7.064
174 H GLY 21 H GLY 21 23.156 -19.076 6.407
175 HA2 GLY 21 2HA GLY 21 24.247 -20.324 8.628
176 HA3 GLY 21 3HA GLY 21 22.736 -20.798 7.866
177 HA PRO 22 HA PRO 22 25.994 -24.184 7.502
178 HB2 PRO 22 2HB PRO 22 24.681 -26.045 8.979
179 HB3 PRO 22 3HB PRO 22 25.817 -24.887 9.682
180 HG2 PRO 22 2HG PRO 22 22.826 -24.798 9.605
181 HG3 PRO 22 3HG PRO 22 23.922 -24.414 10.944
182 HD2 PRO 22 2HD PRO 22 22.778 -22.503 9.405
183 HD3 PRO 22 3HD PRO 22 24.389 -22.311 10.125
184 H ARG 23 H ARG 23 25.280 -24.192 5.298
185 HA ARG 23 HA ARG 23 22.918 -25.842 4.737
186 HB2 ARG 23 2HB ARG 23 23.412 -23.483 3.687
187 HB3 ARG 23 3HB ARG 23 24.456 -24.403 2.612
188 HG2 ARG 23 2HG ARG 23 22.447 -24.273 1.459
189 HG3 ARG 23 3HG ARG 23 22.400 -25.876 2.195
190 HD2 ARG 23 2HD ARG 23 20.796 -25.270 3.732
191 HD3 ARG 23 3HD ARG 23 21.233 -23.563 3.671
192 HE ARG 23 HE ARG 23 20.122 -24.550 1.214
193 HH11 ARG 23 1HH1 ARG 23 19.394 -23.236 4.354
194 HH12 ARG 23 2HH1 ARG 23 17.847 -22.616 3.880
195 HH21 ARG 23 1HH2 ARG 23 18.087 -23.739 0.578
196 HH22 ARG 23 2HH2 ARG 23 17.104 -22.904 1.732
197 H CYS 24 H CYS 24 23.542 -27.932 4.820
198 HA CYS 24 HA CYS 24 26.084 -28.810 3.799
199 HB2 CYS 24 2HB CYS 24 24.766 -29.826 5.759
200 HB3 CYS 24 3HB CYS 24 23.775 -30.602 4.529
201 HG CYS 24 HG CYS 24 25.311 -32.678 4.861
Start of MODEL 20
1 H1 SER 1 H SER 1 5.287 4.308 -1.670
2 HA SER 1 HA SER 1 4.245 1.972 -0.781
3 HB2 SER 1 2HB SER 1 2.344 2.357 -2.158
4 HB3 SER 1 3HB SER 1 3.009 3.952 -1.808
5 HG SER 1 HG SER 1 2.431 3.359 -4.095
6 H ARG 2 H ARG 2 3.308 0.131 -2.098
7 HA ARG 2 HA ARG 2 3.698 -1.800 -3.239
8 HB2 ARG 2 2HB ARG 2 4.759 0.264 -5.157
9 HB3 ARG 2 3HB ARG 2 4.759 -1.449 -5.553
10 HG2 ARG 2 2HG ARG 2 2.785 -0.807 -6.494
11 HG3 ARG 2 3HG ARG 2 2.227 -1.277 -4.887
12 HD2 ARG 2 2HD ARG 2 2.468 1.122 -4.204
13 HD3 ARG 2 3HD ARG 2 2.785 1.506 -5.895
14 HE ARG 2 HE ARG 2 0.242 0.859 -4.705
15 HH11 ARG 2 1HH1 ARG 2 2.093 1.010 -7.650
16 HH12 ARG 2 2HH1 ARG 2 0.700 1.132 -8.673
17 HH21 ARG 2 1HH2 ARG 2 -1.600 1.019 -6.042
18 HH22 ARG 2 2HH2 ARG 2 -1.400 1.138 -7.757
19 H SER 3 H SER 3 5.526 -1.330 -1.235
20 HA SER 3 HA SER 3 8.111 -2.118 -2.395
21 HB2 SER 3 2HB SER 3 9.173 -1.282 -0.455
22 HB3 SER 3 3HB SER 3 7.926 -0.092 -0.830
23 HG SER 3 HG SER 3 7.516 -0.439 1.235
24 H SER 4 H SER 4 5.800 -3.893 -2.027
25 HA SER 4 HA SER 4 6.835 -5.719 0.033
26 HB2 SER 4 2HB SER 4 4.399 -4.964 0.093
27 HB3 SER 4 3HB SER 4 4.164 -5.937 -1.359
28 HG SER 4 HG SER 4 4.835 -6.771 1.248
29 H LEU 5 H LEU 5 6.638 -5.234 -3.316
30 HA LEU 5 HA LEU 5 7.371 -8.047 -3.801
31 HB2 LEU 5 2HB LEU 5 6.006 -6.187 -5.740
32 HB3 LEU 5 3HB LEU 5 6.387 -7.888 -5.999
33 HG LEU 5 HG LEU 5 4.374 -6.797 -4.034
34 HD11 LEU 5 1HD1 LEU 5 2.706 -7.713 -5.484
35 HD12 LEU 5 2HD1 LEU 5 3.934 -8.403 -6.544
36 HD13 LEU 5 3HD1 LEU 5 3.745 -6.653 -6.438
37 HD21 LEU 5 3HD2 LEU 5 5.596 -9.456 -4.407
38 HD22 LEU 5 1HD2 LEU 5 3.843 -9.425 -4.214
39 HD23 LEU 5 2HD2 LEU 5 4.880 -8.724 -2.971
40 H ARG 6 H ARG 6 7.744 -4.727 -5.027
41 HA ARG 6 HA ARG 6 10.056 -5.382 -6.586
42 HB2 ARG 6 2HB ARG 6 8.810 -2.753 -5.780
43 HB3 ARG 6 3HB ARG 6 10.244 -2.866 -6.792
44 HG2 ARG 6 2HG ARG 6 8.773 -4.399 -8.275
45 HG3 ARG 6 3HG ARG 6 7.430 -3.650 -7.408
46 HD2 ARG 6 2HD ARG 6 7.570 -2.111 -9.046
47 HD3 ARG 6 3HD ARG 6 8.873 -1.464 -8.051
48 HE ARG 6 HE ARG 6 10.127 -3.259 -9.649
49 HH11 ARG 6 1HH1 ARG 6 8.002 -0.567 -10.249
50 HH12 ARG 6 2HH1 ARG 6 8.697 -0.195 -11.792
51 HH21 ARG 6 1HH2 ARG 6 11.050 -2.779 -11.678
52 HH22 ARG 6 2HH2 ARG 6 10.430 -1.454 -12.604
53 H SER 7 H SER 7 9.609 -5.084 -3.329
54 HA SER 7 HA SER 7 12.425 -4.324 -2.915
55 HB2 SER 7 2HB SER 7 11.407 -2.512 -1.917
56 HB3 SER 7 3HB SER 7 9.961 -3.427 -1.486
57 HG SER 7 HG SER 7 11.248 -2.934 0.343
58 H ARG 8 H ARG 8 10.078 -6.689 -2.615
59 HA ARG 8 HA ARG 8 10.671 -7.945 -0.198
60 HB2 ARG 8 2HB ARG 8 8.809 -8.850 -1.198
61 HB3 ARG 8 3HB ARG 8 9.527 -8.827 -2.803
62 HG2 ARG 8 2HG ARG 8 10.704 -10.667 -0.798
63 HG3 ARG 8 3HG ARG 8 9.121 -11.073 -1.465
64 HD2 ARG 8 2HD ARG 8 11.188 -10.237 -3.402
65 HD3 ARG 8 3HD ARG 8 11.445 -11.790 -2.608
66 HE ARG 8 HE ARG 8 9.485 -11.176 -4.601
67 HH11 ARG 8 1HH1 ARG 8 10.200 -13.211 -1.868
68 HH12 ARG 8 2HH1 ARG 8 9.146 -14.488 -2.378
69 HH21 ARG 8 1HH2 ARG 8 8.095 -12.851 -5.283
70 HH22 ARG 8 2HH2 ARG 8 7.950 -14.283 -4.321
71 H TRP 9 H TRP 9 12.340 -8.006 -3.275
72 HA TRP 9 HA TRP 9 14.058 -10.195 -2.622
73 HB2 TRP 9 2HB TRP 9 14.804 -8.123 -4.650
74 HB3 TRP 9 3HB TRP 9 15.033 -9.869 -4.701
75 HD1 TRP 9 HD1 TRP 9 12.602 -7.154 -5.681
76 HE1 TRP 9 HE1 TRP 9 10.637 -8.194 -6.978
77 HE3 TRP 9 HE3 TRP 9 13.593 -12.096 -4.828
78 HZ2 TRP 9 HZ2 TRP 9 9.639 -10.770 -7.561
79 HZ3 TRP 9 HZ3 TRP 9 12.084 -13.785 -5.790
80 HH2 TRP 9 HH2 TRP 9 10.148 -13.133 -7.127
81 H GLY 10 H GLY 10 13.888 -7.113 -1.429
82 HA2 GLY 10 2HA GLY 10 16.693 -6.507 -1.267
83 HA3 GLY 10 3HA GLY 10 15.394 -5.675 -0.424
84 H ARG 11 H ARG 11 14.268 -7.700 1.044
85 HA ARG 11 HA ARG 11 16.392 -8.199 2.990
86 HB2 ARG 11 2HB ARG 11 14.125 -7.090 3.539
87 HB3 ARG 11 3HB ARG 11 13.463 -8.716 3.433
88 HG2 ARG 11 2HG ARG 11 15.842 -8.351 5.150
89 HG3 ARG 11 3HG ARG 11 14.324 -7.648 5.712
90 HD2 ARG 11 2HD ARG 11 13.255 -9.881 5.333
91 HD3 ARG 11 3HD ARG 11 14.863 -10.528 5.013
92 HE ARG 11 HE ARG 11 15.057 -9.290 7.453
93 HH11 ARG 11 1HH1 ARG 11 13.104 -11.826 6.083
94 HH12 ARG 11 2HH1 ARG 11 12.907 -12.665 7.587
95 HH21 ARG 11 1HH2 ARG 11 14.805 -10.385 9.438
96 HH22 ARG 11 2HH2 ARG 11 13.874 -11.844 9.494
97 H PHE 12 H PHE 12 14.087 -9.874 0.955
98 HA PHE 12 HA PHE 12 14.294 -12.437 2.081
99 HB2 PHE 12 2HB PHE 12 12.581 -11.708 0.403
100 HB3 PHE 12 3HB PHE 12 13.831 -11.783 -0.834
101 HD1 PHE 12 HD1 PHE 12 12.784 -14.024 1.963
102 HD2 PHE 12 HD2 PHE 12 13.568 -13.600 -2.199
103 HE1 PHE 12 HE1 PHE 12 12.306 -16.415 1.633
104 HE2 PHE 12 HE2 PHE 12 13.091 -15.990 -2.536
105 HZ PHE 12 HZ PHE 12 12.458 -17.401 -0.619
106 H LEU 13 H LEU 13 16.178 -10.842 -0.456
107 HA LEU 13 HA LEU 13 17.741 -12.985 -1.275
108 HB2 LEU 13 2HB LEU 13 18.124 -10.033 -1.212
109 HB3 LEU 13 3HB LEU 13 19.501 -11.057 -1.611
110 HG LEU 13 HG LEU 13 17.876 -10.029 -3.457
111 HD11 LEU 13 1HD1 LEU 13 19.724 -12.227 -3.296
112 HD12 LEU 13 2HD1 LEU 13 19.448 -11.085 -4.611
113 HD13 LEU 13 3HD1 LEU 13 18.474 -12.551 -4.498
114 HD21 LEU 13 3HD2 LEU 13 16.681 -12.748 -2.947
115 HD22 LEU 13 1HD2 LEU 13 16.210 -11.578 -4.181
116 HD23 LEU 13 2HD2 LEU 13 15.915 -11.229 -2.478
117 H LEU 14 H LEU 14 17.794 -11.230 1.683
118 HA LEU 14 HA LEU 14 20.472 -11.747 2.454
119 HB2 LEU 14 2HB LEU 14 19.947 -10.577 4.280
120 HB3 LEU 14 3HB LEU 14 18.427 -10.251 3.450
121 HG LEU 14 HG LEU 14 17.654 -12.446 4.665
122 HD11 LEU 14 1HD1 LEU 14 20.256 -11.987 5.793
123 HD12 LEU 14 2HD1 LEU 14 19.142 -13.329 6.052
124 HD13 LEU 14 3HD1 LEU 14 19.014 -11.875 7.041
125 HD21 LEU 14 3HD2 LEU 14 16.481 -11.098 6.060
126 HD22 LEU 14 1HD2 LEU 14 17.128 -9.850 4.994
127 HD23 LEU 14 2HD2 LEU 14 17.904 -10.174 6.545
128 H GLN 15 H GLN 15 17.616 -13.674 2.398
129 HA GLN 15 HA GLN 15 18.581 -15.609 4.315
130 HB2 GLN 15 2HB GLN 15 16.529 -16.675 4.087
131 HB3 GLN 15 3HB GLN 15 16.117 -14.993 3.780
132 HG2 GLN 15 2HG GLN 15 15.052 -15.857 2.008
133 HG3 GLN 15 3HG GLN 15 16.655 -15.797 1.276
134 HE21 GLN 15 1HE2 GLN 15 15.011 -17.972 3.552
135 HE22 GLN 15 2HE2 GLN 15 15.362 -19.423 2.683
136 H ARG 16 H ARG 16 19.225 -14.930 1.112
137 HA ARG 16 HA ARG 16 20.064 -17.709 0.601
138 HB2 ARG 16 2HB ARG 16 19.691 -17.395 -1.728
139 HB3 ARG 16 3HB ARG 16 18.254 -16.804 -0.906
140 HG2 ARG 16 2HG ARG 16 18.920 -14.531 -1.228
141 HG3 ARG 16 3HG ARG 16 20.492 -15.033 -1.854
142 HD2 ARG 16 2HD ARG 16 18.061 -16.062 -3.213
143 HD3 ARG 16 3HD ARG 16 18.480 -14.366 -3.451
144 HE ARG 16 HE ARG 16 20.795 -15.807 -3.888
145 HH11 ARG 16 1HH1 ARG 16 17.604 -15.621 -5.265
146 HH12 ARG 16 2HH1 ARG 16 18.122 -16.071 -6.856
147 HH21 ARG 16 1HH2 ARG 16 21.490 -16.400 -5.978
148 HH22 ARG 16 2HH2 ARG 16 20.333 -16.515 -7.260
149 H GLY 17 H GLY 17 21.029 -14.460 0.975
150 HA2 GLY 17 2HA GLY 17 23.718 -15.134 -0.053
151 HA3 GLY 17 3HA GLY 17 23.025 -13.524 -0.176
152 H SER 18 H SER 18 21.864 -14.104 2.632
153 HA SER 18 HA SER 18 24.333 -13.428 4.095
154 HB2 SER 18 2HB SER 18 21.764 -12.083 3.941
155 HB3 SER 18 3HB SER 18 22.183 -12.478 5.608
156 HG SER 18 HG SER 18 23.771 -11.032 3.751
157 H TRP 19 H TRP 19 21.774 -15.614 3.790
158 HA TRP 19 HA TRP 19 22.334 -16.720 6.464
159 HB2 TRP 19 2HB TRP 19 20.002 -15.889 6.181
160 HB3 TRP 19 3HB TRP 19 19.786 -17.039 4.864
161 HD1 TRP 19 HD1 TRP 19 19.740 -19.671 5.541
162 HE1 TRP 19 HE1 TRP 19 19.076 -20.822 7.746
163 HE3 TRP 19 HE3 TRP 19 20.026 -15.643 8.676
164 HZ2 TRP 19 HZ2 TRP 19 18.719 -20.115 10.456
165 HZ3 TRP 19 HZ3 TRP 19 19.507 -15.965 11.060
166 HH2 TRP 19 HH2 TRP 19 18.867 -18.155 11.929
167 H THR 20 H THR 20 24.047 -18.003 5.721
168 HA THR 20 HA THR 20 23.390 -20.058 3.732
169 HB THR 20 HB THR 20 25.443 -18.824 3.281
170 HG1 THR 20 HG1 THR 20 26.892 -20.736 3.356
171 HG21 THR 20 3HG2 THR 20 26.014 -18.183 5.569
172 HG22 THR 20 1HG2 THR 20 27.372 -18.991 4.788
173 HG23 THR 20 2HG2 THR 20 26.381 -19.863 5.958
174 H GLY 21 H GLY 21 22.978 -19.764 6.882
175 HA2 GLY 21 2HA GLY 21 22.855 -21.208 8.663
176 HA3 GLY 21 3HA GLY 21 22.709 -22.468 7.446
177 HA PRO 22 HA PRO 22 26.659 -23.000 9.923
178 HB2 PRO 22 2HB PRO 22 26.092 -25.492 10.838
179 HB3 PRO 22 3HB PRO 22 25.616 -24.022 11.697
180 HG2 PRO 22 2HG PRO 22 23.989 -25.776 9.897
181 HG3 PRO 22 3HG PRO 22 23.538 -25.035 11.444
182 HD2 PRO 22 2HD PRO 22 22.781 -24.002 9.058
183 HD3 PRO 22 3HD PRO 22 23.101 -22.987 10.480
184 H ARG 23 H ARG 23 27.501 -23.039 7.715
185 HA ARG 23 HA ARG 23 27.873 -25.792 6.733
186 HB2 ARG 23 2HB ARG 23 26.468 -24.516 5.188
187 HB3 ARG 23 3HB ARG 23 27.692 -23.256 5.098
188 HG2 ARG 23 2HG ARG 23 29.249 -24.846 4.081
189 HG3 ARG 23 3HG ARG 23 28.008 -26.099 4.158
190 HD2 ARG 23 2HD ARG 23 27.702 -25.376 2.013
191 HD3 ARG 23 3HD ARG 23 26.595 -24.293 2.857
192 HE ARG 23 HE ARG 23 29.248 -23.230 2.581
193 HH11 ARG 23 1HH1 ARG 23 26.149 -23.611 1.040
194 HH12 ARG 23 2HH1 ARG 23 26.346 -22.232 0.010
195 HH21 ARG 23 1HH2 ARG 23 29.518 -21.412 1.230
196 HH22 ARG 23 2HH2 ARG 23 28.263 -20.982 0.118
197 H CYS 24 H CYS 24 29.921 -26.436 6.271
198 HA CYS 24 HA CYS 24 32.063 -24.637 7.101
199 HB2 CYS 24 2HB CYS 24 31.753 -27.098 7.881
200 HB3 CYS 24 3HB CYS 24 32.450 -27.512 6.320
201 HG CYS 24 HG CYS 24 34.619 -25.507 7.156