NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
544834 |
2lg4   |
17792 | cing | 1-original | 10 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ALA 1 H ALA 1 -0.347 6.345 1.842
2 HA ALA 1 HA ALA 1 -0.446 4.326 3.562
3 HB1 ALA 1 HB1 ALA 1 -1.894 5.847 4.981
4 HB2 ALA 1 HB2 ALA 1 -3.179 5.554 3.808
5 HB3 ALA 1 HB3 ALA 1 -2.495 4.209 4.721
6 H ALA 2 H ALA 2 -0.251 3.049 1.795
7 HA ALA 2 HA ALA 2 -1.999 3.206 -0.458
8 HB1 ALA 2 HB1 ALA 2 -0.704 0.699 -0.443
9 HB2 ALA 2 HB2 ALA 2 -0.291 2.135 -1.381
10 HB3 ALA 2 HB3 ALA 2 0.437 1.877 0.205
11 H CYS 3 H CYS 3 -3.314 1.385 -1.235
12 HA CYS 3 HA CYS 3 -4.741 0.113 1.001
13 HB2 CYS 3 HB2 CYS 3 -6.184 1.571 -0.252
14 HB3 CYS 3 HB3 CYS 3 -5.662 0.863 -1.777
15 H SER 4 H SER 4 -4.813 -2.042 1.165
16 HA SER 4 HA SER 4 -4.783 -3.878 -0.936
17 HB2 SER 4 HB2 SER 4 -2.377 -4.786 -0.289
18 HB3 SER 4 HB3 SER 4 -2.579 -3.548 -1.528
19 HG SER 4 HG SER 4 -0.962 -3.181 0.221
20 H ASP 5 H ASP 5 -3.828 -6.128 0.014
21 HA ASP 5 HA ASP 5 -5.196 -6.436 2.590
22 HB2 ASP 5 HB2 ASP 5 -4.305 -8.755 0.917
23 HB3 ASP 5 HB3 ASP 5 -5.690 -8.625 1.997
24 H ARG 6 H ARG 6 -4.136 -6.971 4.395
25 HA ARG 6 HA ARG 6 -1.288 -7.686 4.149
26 HB2 ARG 6 HB2 ARG 6 -1.359 -6.781 6.644
27 HB3 ARG 6 HB3 ARG 6 -1.147 -5.700 5.274
28 HG2 ARG 6 HG2 ARG 6 -3.903 -6.273 6.238
29 HG3 ARG 6 HG3 ARG 6 -2.881 -5.167 7.157
30 HD2 ARG 6 HD2 ARG 6 -3.104 -4.811 4.207
31 HD3 ARG 6 HD3 ARG 6 -4.445 -4.295 5.229
32 HE ARG 6 HE ARG 6 -2.285 -3.167 6.411
33 HH11 ARG 6 HH11 ARG 6 -3.523 -3.162 3.157
34 HH12 ARG 6 HH12 ARG 6 -2.905 -1.587 2.785
35 HH21 ARG 6 HH21 ARG 6 -1.467 -1.092 5.934
36 HH22 ARG 6 HH22 ARG 6 -1.735 -0.410 4.365
37 H ALA 7 H ALA 7 -4.362 -8.538 5.476
38 HA ALA 7 HA ALA 7 -3.707 -10.197 7.583
39 HB1 ALA 7 HB1 ALA 7 -6.012 -9.540 6.386
40 HB2 ALA 7 HB2 ALA 7 -5.826 -11.185 5.778
41 HB3 ALA 7 HB3 ALA 7 -5.860 -10.886 7.516
42 H HIS 8 H HIS 8 -4.044 -12.683 7.485
43 HA HIS 8 HA HIS 8 -1.846 -13.840 6.261
44 HB2 HIS 8 HB2 HIS 8 -4.329 -14.882 7.525
45 HB3 HIS 8 HB3 HIS 8 -3.388 -16.008 6.552
46 HD1 HIS 8 HD1 HIS 8 -3.044 -13.791 9.594
47 HD2 HIS 8 HD2 HIS 8 -1.148 -17.009 7.773
48 HE1 HIS 8 HE1 HIS 8 -1.302 -14.561 11.235
49 H GLY 9 H GLY 9 -4.998 -13.183 4.974
50 HA2 GLY 9 HA2 GLY 9 -5.013 -13.008 2.494
51 HA3 GLY 9 HA3 GLY 9 -4.228 -14.580 2.486
52 H HIS 10 H HIS 10 -5.615 -16.132 4.109
53 HA HIS 10 HA HIS 10 -8.104 -16.476 2.704
54 HB2 HIS 10 HB2 HIS 10 -6.739 -18.046 4.891
55 HB3 HIS 10 HB3 HIS 10 -8.316 -18.488 4.242
56 HD1 HIS 10 HD1 HIS 10 -7.958 -20.447 2.781
57 HD2 HIS 10 HD2 HIS 10 -4.988 -17.585 2.280
58 HE1 HIS 10 HE1 HIS 10 -6.497 -21.312 0.926
59 H ILE 11 H ILE 11 -7.241 -14.570 5.231
60 HA ILE 11 HA ILE 11 -9.536 -14.985 6.926
61 HB ILE 11 HB ILE 11 -7.526 -12.729 6.910
62 HG12 ILE 11 HG12 ILE 11 -6.877 -15.241 7.433
63 HG13 ILE 11 HG13 ILE 11 -6.239 -13.918 8.403
64 HG21 ILE 11 HG21 ILE 11 -9.704 -13.476 8.846
65 HG22 ILE 11 HG22 ILE 11 -8.360 -12.416 9.269
66 HG23 ILE 11 HG23 ILE 11 -9.483 -11.949 7.992
67 HD11 ILE 11 HD11 ILE 11 -7.781 -14.351 10.150
68 HD12 ILE 11 HD12 ILE 11 -8.691 -15.483 9.150
69 HD13 ILE 11 HD13 ILE 11 -7.063 -15.894 9.689
70 H CYS 12 H CYS 12 -8.514 -12.628 4.495
71 HA CYS 12 HA CYS 12 -10.723 -10.885 4.804
72 HB2 CYS 12 HB2 CYS 12 -9.130 -11.272 2.271
73 HB3 CYS 12 HB3 CYS 12 -9.973 -9.822 2.805
74 H GLU 13 H GLU 13 -10.063 -13.526 2.522
75 HA GLU 13 HA GLU 13 -12.495 -13.287 1.099
76 HB2 GLU 13 HB2 GLU 13 -10.327 -15.308 1.302
77 HB3 GLU 13 HB3 GLU 13 -11.873 -15.856 0.668
78 HG2 GLU 13 HG2 GLU 13 -10.950 -13.355 -0.513
79 HG3 GLU 13 HG3 GLU 13 -9.863 -14.715 -0.787
80 H SER 14 H SER 14 -11.484 -15.513 3.686
81 HA SER 14 HA SER 14 -13.886 -16.924 3.903
82 HB2 SER 14 HB2 SER 14 -11.750 -16.329 5.958
83 HB3 SER 14 HB3 SER 14 -13.096 -17.429 6.251
84 HG SER 14 HG SER 14 -12.346 -18.752 4.623
85 H PHE 15 H PHE 15 -13.007 -13.762 4.997
86 HA PHE 15 HA PHE 15 -15.643 -13.509 6.287
87 HB2 PHE 15 HB2 PHE 15 -13.001 -12.329 7.150
88 HB3 PHE 15 HB3 PHE 15 -14.550 -11.758 7.759
89 HD1 PHE 15 HD2 PHE 15 -12.185 -14.561 7.715
90 HD2 PHE 15 HD1 PHE 15 -15.812 -13.035 9.339
91 HE1 PHE 15 HE2 PHE 15 -12.148 -16.317 9.439
92 HE2 PHE 15 HE1 PHE 15 -15.780 -14.787 11.066
93 HZ PHE 15 HZ PHE 15 -13.947 -16.432 11.117
94 H LYS 16 H LYS 16 -15.133 -13.011 3.562
95 HA LYS 16 HA LYS 16 -14.627 -10.270 3.041
96 HB2 LYS 16 HB2 LYS 16 -14.345 -11.444 1.111
97 HB3 LYS 16 HB3 LYS 16 -15.604 -12.606 1.508
98 HG2 LYS 16 HG2 LYS 16 -16.214 -11.302 -0.441
99 HG3 LYS 16 HG3 LYS 16 -17.311 -10.967 0.901
100 HD2 LYS 16 HD2 LYS 16 -16.870 -8.801 0.653
101 HD3 LYS 16 HD3 LYS 16 -15.202 -9.124 1.132
102 HE2 LYS 16 HE2 LYS 16 -15.064 -8.024 -0.946
103 HE3 LYS 16 HE3 LYS 16 -14.773 -9.728 -1.292
104 HZ1 LYS 16 HZ1 LYS 16 -17.542 -8.903 -1.454
105 HZ2 LYS 16 HZ2 LYS 16 -16.642 -9.886 -2.495
106 HZ3 LYS 16 HZ3 LYS 16 -16.528 -8.203 -2.614
107 H SER 17 H SER 17 -17.613 -12.150 3.402
108 HA SER 17 HA SER 17 -19.313 -9.883 2.969
109 HB2 SER 17 HB2 SER 17 -20.191 -12.040 2.399
110 HB3 SER 17 HB3 SER 17 -19.851 -12.670 4.011
111 HG SER 17 HG SER 17 -21.443 -11.315 4.836
112 H PHE 18 H PHE 18 -17.363 -10.725 5.491
113 HA PHE 18 HA PHE 18 -19.157 -9.769 7.587
114 HB2 PHE 18 HB2 PHE 18 -16.366 -10.925 7.691
115 HB3 PHE 18 HB3 PHE 18 -17.243 -10.350 9.105
116 HD1 PHE 18 HD1 PHE 18 -17.571 -12.726 6.258
117 HD2 PHE 18 HD2 PHE 18 -18.559 -11.822 10.299
118 HE1 PHE 18 HE1 PHE 18 -18.631 -14.934 6.490
119 HE2 PHE 18 HE2 PHE 18 -19.619 -14.029 10.537
120 HZ PHE 18 HZ PHE 18 -19.656 -15.589 8.632
121 H CYS 19 H CYS 19 -17.105 -8.450 5.367
122 HA CYS 19 HA CYS 19 -15.598 -6.584 6.803
123 HB2 CYS 19 HB2 CYS 19 -16.587 -6.803 4.004
124 HB3 CYS 19 HB3 CYS 19 -16.008 -5.228 4.536
125 H LYS 20 H LYS 20 -18.971 -6.701 6.094
126 HA LYS 20 HA LYS 20 -19.355 -3.892 6.803
127 HB2 LYS 20 HB2 LYS 20 -21.756 -4.370 6.248
128 HB3 LYS 20 HB3 LYS 20 -20.636 -4.592 4.910
129 HG2 LYS 20 HG2 LYS 20 -21.359 -6.660 4.630
130 HG3 LYS 20 HG3 LYS 20 -20.882 -7.068 6.280
131 HD2 LYS 20 HD2 LYS 20 -23.411 -5.557 5.912
132 HD3 LYS 20 HD3 LYS 20 -23.399 -7.258 5.441
133 HE2 LYS 20 HE2 LYS 20 -22.103 -7.090 7.939
134 HE3 LYS 20 HE3 LYS 20 -23.560 -6.105 8.056
135 HZ1 LYS 20 HZ1 LYS 20 -24.905 -7.934 7.488
136 HZ2 LYS 20 HZ2 LYS 20 -23.813 -8.520 8.639
137 HZ3 LYS 20 HZ3 LYS 20 -23.584 -8.873 7.000
138 H ASP 21 H ASP 21 -18.551 -6.144 8.674
139 HA ASP 21 HA ASP 21 -20.799 -6.436 10.454
140 HB2 ASP 21 HB2 ASP 21 -19.056 -8.196 10.188
141 HB3 ASP 21 HB3 ASP 21 -17.890 -7.110 10.937
142 H SER 22 H SER 22 -21.300 -5.229 12.181
143 HA SER 22 HA SER 22 -19.869 -2.762 12.600
144 HB2 SER 22 HB2 SER 22 -21.670 -2.433 14.387
145 HB3 SER 22 HB3 SER 22 -22.230 -2.570 12.720
146 HG SER 22 HG SER 22 -22.742 -4.171 14.854
147 H GLY 23 H GLY 23 -19.321 -5.817 13.631
148 HA2 GLY 23 HA2 GLY 23 -18.541 -5.080 16.359
149 HA3 GLY 23 HA3 GLY 23 -18.605 -6.711 15.708
150 H ARG 24 H ARG 24 -16.444 -6.513 16.976
151 HA ARG 24 HA ARG 24 -14.257 -5.123 15.976
152 HB2 ARG 24 HB2 ARG 24 -12.870 -6.830 17.087
153 HB3 ARG 24 HB3 ARG 24 -14.188 -6.281 18.113
154 HG2 ARG 24 HG2 ARG 24 -15.424 -8.364 17.118
155 HG3 ARG 24 HG3 ARG 24 -13.780 -8.918 16.796
156 HD2 ARG 24 HD2 ARG 24 -13.985 -7.851 19.461
157 HD3 ARG 24 HD3 ARG 24 -15.205 -9.096 19.201
158 HE ARG 24 HE ARG 24 -12.830 -10.117 18.226
159 HH11 ARG 24 HH11 ARG 24 -14.070 -8.996 21.279
160 HH12 ARG 24 HH12 ARG 24 -13.065 -10.046 22.221
161 HH21 ARG 24 HH21 ARG 24 -11.501 -11.505 19.455
162 HH22 ARG 24 HH22 ARG 24 -11.603 -11.472 21.183
163 H ASN 25 H ASN 25 -15.563 -8.267 15.022
164 HA ASN 25 HA ASN 25 -13.574 -9.171 13.346
165 HB2 ASN 25 HB2 ASN 25 -16.527 -9.523 13.451
166 HB3 ASN 25 HB3 ASN 25 -15.708 -10.033 11.977
167 HD21 ASN 25 HD21 ASN 25 -15.915 -10.494 15.439
168 HD22 ASN 25 HD22 ASN 25 -15.202 -12.068 15.464
169 H GLY 26 H GLY 26 -16.137 -6.832 12.651
170 HA2 GLY 26 HA2 GLY 26 -15.532 -6.559 9.886
171 HA3 GLY 26 HA3 GLY 26 -16.480 -5.439 10.853
172 H VAL 27 H VAL 27 -14.651 -4.616 12.730
173 HA VAL 27 HA VAL 27 -13.268 -2.595 11.396
174 HB VAL 27 HB VAL 27 -12.580 -3.697 14.122
175 HG11 VAL 27 HG11 VAL 27 -10.925 -2.186 13.836
176 HG12 VAL 27 HG12 VAL 27 -11.801 -1.300 12.587
177 HG13 VAL 27 HG13 VAL 27 -12.189 -1.044 14.288
178 HG21 VAL 27 HG21 VAL 27 -14.738 -1.800 13.240
179 HG22 VAL 27 HG22 VAL 27 -14.891 -3.262 14.216
180 HG23 VAL 27 HG23 VAL 27 -14.125 -1.826 14.894
181 H LYS 28 H LYS 28 -12.065 -5.659 12.733
182 HA LYS 28 HA LYS 28 -9.362 -5.259 12.031
183 HB2 LYS 28 HB2 LYS 28 -10.939 -7.787 12.526
184 HB3 LYS 28 HB3 LYS 28 -9.197 -7.757 12.289
185 HG2 LYS 28 HG2 LYS 28 -10.665 -6.309 14.484
186 HG3 LYS 28 HG3 LYS 28 -9.842 -7.861 14.659
187 HD2 LYS 28 HD2 LYS 28 -7.728 -6.772 13.979
188 HD3 LYS 28 HD3 LYS 28 -8.574 -5.224 13.914
189 HE2 LYS 28 HE2 LYS 28 -9.218 -5.668 16.341
190 HE3 LYS 28 HE3 LYS 28 -8.008 -6.950 16.310
191 HZ1 LYS 28 HZ1 LYS 28 -6.738 -4.762 15.263
192 HZ2 LYS 28 HZ2 LYS 28 -6.541 -5.384 16.823
193 HZ3 LYS 28 HZ3 LYS 28 -7.645 -4.133 16.545
194 H LEU 29 H LEU 29 -12.123 -6.414 10.249
195 HA LEU 29 HA LEU 29 -10.698 -7.646 8.124
196 HB2 LEU 29 HB2 LEU 29 -13.494 -6.681 8.524
197 HB3 LEU 29 HB3 LEU 29 -12.954 -7.124 6.906
198 HG LEU 29 HG LEU 29 -12.809 -8.993 9.264
199 HD11 LEU 29 HD11 LEU 29 -15.148 -8.238 8.729
200 HD12 LEU 29 HD12 LEU 29 -14.857 -9.971 8.582
201 HD13 LEU 29 HD13 LEU 29 -14.936 -8.965 7.136
202 HD21 LEU 29 HD21 LEU 29 -11.438 -9.216 7.029
203 HD22 LEU 29 HD22 LEU 29 -12.974 -9.823 6.410
204 HD23 LEU 29 HD23 LEU 29 -12.196 -10.621 7.777
205 H ARG 30 H ARG 30 -12.133 -4.423 8.533
206 HA ARG 30 HA ARG 30 -11.375 -3.481 5.963
207 HB2 ARG 30 HB2 ARG 30 -12.091 -1.972 8.483
208 HB3 ARG 30 HB3 ARG 30 -11.899 -1.235 6.898
209 HG2 ARG 30 HG2 ARG 30 -13.691 -3.221 6.376
210 HG3 ARG 30 HG3 ARG 30 -14.137 -2.741 8.014
211 HD2 ARG 30 HD2 ARG 30 -13.615 -0.430 6.375
212 HD3 ARG 30 HD3 ARG 30 -14.824 -1.469 5.621
213 HE ARG 30 HE ARG 30 -15.285 -0.944 8.417
214 HH11 ARG 30 HH11 ARG 30 -15.834 0.128 5.151
215 HH12 ARG 30 HH12 ARG 30 -17.256 1.035 5.549
216 HH21 ARG 30 HH21 ARG 30 -17.155 0.246 8.954
217 HH22 ARG 30 HH22 ARG 30 -18.006 1.102 7.713
218 H ALA 31 H ALA 31 -9.647 -3.985 8.851
219 HA ALA 31 HA ALA 31 -7.582 -2.027 8.217
220 HB1 ALA 31 HB1 ALA 31 -6.564 -2.692 10.322
221 HB2 ALA 31 HB2 ALA 31 -8.270 -2.308 10.552
222 HB3 ALA 31 HB3 ALA 31 -7.744 -3.991 10.500
223 H ASN 32 H ASN 32 -7.784 -5.548 8.753
224 HA ASN 32 HA ASN 32 -5.156 -5.990 7.682
225 HB2 ASN 32 HB2 ASN 32 -7.354 -7.963 8.345
226 HB3 ASN 32 HB3 ASN 32 -5.682 -8.380 7.977
227 HD21 ASN 32 HD21 ASN 32 -7.780 -8.064 10.413
228 HD22 ASN 32 HD22 ASN 32 -6.705 -7.656 11.702
229 H CYS 33 H CYS 33 -8.211 -5.520 6.335
230 HA CYS 33 HA CYS 33 -7.233 -6.439 3.732
231 HB2 CYS 33 HB2 CYS 33 -10.087 -6.957 4.522
232 HB3 CYS 33 HB3 CYS 33 -9.164 -7.665 3.201
233 H LYS 34 H LYS 34 -6.971 -3.938 4.071
234 HA LYS 34 HA LYS 34 -9.187 -2.235 3.897
235 HB2 LYS 34 HB2 LYS 34 -6.496 -1.704 2.640
236 HB3 LYS 34 HB3 LYS 34 -7.652 -0.524 3.243
237 HG2 LYS 34 HG2 LYS 34 -7.180 -2.005 5.474
238 HG3 LYS 34 HG3 LYS 34 -5.611 -2.065 4.666
239 HD2 LYS 34 HD2 LYS 34 -6.760 0.597 4.607
240 HD3 LYS 34 HD3 LYS 34 -6.583 -0.007 6.256
241 HE2 LYS 34 HE2 LYS 34 -4.303 -0.098 6.123
242 HE3 LYS 34 HE3 LYS 34 -4.307 -0.382 4.383
243 HZ1 LYS 34 HZ1 LYS 34 -3.531 1.886 5.281
244 HZ2 LYS 34 HZ2 LYS 34 -5.179 2.218 5.459
245 HZ3 LYS 34 HZ3 LYS 34 -4.550 1.852 3.931
246 H LYS 35 H LYS 35 -7.801 -4.338 1.582
247 HA LYS 35 HA LYS 35 -8.984 -2.930 -0.682
248 HB2 LYS 35 HB2 LYS 35 -6.769 -3.847 -1.024
249 HB3 LYS 35 HB3 LYS 35 -7.312 -5.442 -0.521
250 HG2 LYS 35 HG2 LYS 35 -9.006 -4.725 -2.615
251 HG3 LYS 35 HG3 LYS 35 -7.394 -4.212 -3.119
252 HD2 LYS 35 HD2 LYS 35 -6.710 -6.321 -3.417
253 HD3 LYS 35 HD3 LYS 35 -7.399 -6.845 -1.878
254 HE2 LYS 35 HE2 LYS 35 -9.555 -7.138 -2.864
255 HE3 LYS 35 HE3 LYS 35 -9.032 -6.376 -4.366
256 HZ1 LYS 35 HZ1 LYS 35 -8.535 -8.398 -5.083
257 HZ2 LYS 35 HZ2 LYS 35 -8.809 -9.089 -3.565
258 HZ3 LYS 35 HZ3 LYS 35 -7.285 -8.461 -3.945
259 H THR 36 H THR 36 -9.098 -6.223 0.686
260 HA THR 36 HA THR 36 -11.168 -7.246 -0.817
261 HB THR 36 HB THR 36 -10.790 -7.821 2.125
262 HG1 THR 36 HG1 THR 36 -9.363 -8.733 -0.158
263 HG21 THR 36 HG21 THR 36 -12.799 -8.734 0.797
264 HG22 THR 36 HG22 THR 36 -11.827 -9.880 1.722
265 HG23 THR 36 HG23 THR 36 -11.614 -9.750 -0.023
266 H CYS 37 H CYS 37 -11.304 -5.008 1.858
267 HA CYS 37 HA CYS 37 -14.189 -5.220 2.098
268 HB2 CYS 37 HB2 CYS 37 -12.126 -3.513 3.492
269 HB3 CYS 37 HB3 CYS 37 -13.855 -3.345 3.777
270 H GLY 38 H GLY 38 -11.805 -3.151 0.613
271 HA2 GLY 38 HA2 GLY 38 -12.265 -1.746 -1.228
272 HA3 GLY 38 HA3 GLY 38 -13.959 -1.728 -0.760
273 H LEU 39 H LEU 39 -10.760 -0.500 0.102
274 HA LEU 39 HA LEU 39 -12.065 1.915 1.146
275 HB2 LEU 39 HB2 LEU 39 -9.798 0.397 2.424
276 HB3 LEU 39 HB3 LEU 39 -10.279 2.027 2.889
277 HG LEU 39 HG LEU 39 -12.360 -0.090 2.963
278 HD11 LEU 39 HD11 LEU 39 -11.109 -0.063 5.494
279 HD12 LEU 39 HD12 LEU 39 -9.860 -0.400 4.295
280 HD13 LEU 39 HD13 LEU 39 -11.297 -1.418 4.381
281 HD21 LEU 39 HD21 LEU 39 -13.204 1.201 4.763
282 HD22 LEU 39 HD22 LEU 39 -12.719 2.342 3.509
283 HD23 LEU 39 HD23 LEU 39 -11.692 2.096 4.922
284 H CYS 40 H CYS 40 -10.243 0.767 -1.209
285 HA CYS 40 HA CYS 40 -7.960 2.458 -1.209
286 HB2 CYS 40 HB2 CYS 40 -9.283 1.267 -3.646
287 HB3 CYS 40 HB3 CYS 40 -7.590 1.701 -3.441
Start of MODEL 2
1 H1 ALA 1 H ALA 1 -0.342 7.257 1.733
2 HA ALA 1 HA ALA 1 -1.253 5.345 2.879
3 HB1 ALA 1 HB1 ALA 1 -2.911 6.976 2.898
4 HB2 ALA 1 HB2 ALA 1 -3.199 6.843 1.163
5 HB3 ALA 1 HB3 ALA 1 -3.740 5.562 2.247
6 H ALA 2 H ALA 2 -0.059 3.603 1.782
7 HA ALA 2 HA ALA 2 -0.980 2.332 -0.548
8 HB1 ALA 2 HB1 ALA 2 1.008 1.850 1.475
9 HB2 ALA 2 HB2 ALA 2 0.189 0.350 1.037
10 HB3 ALA 2 HB3 ALA 2 0.969 1.325 -0.209
11 H CYS 3 H CYS 3 -2.977 1.568 -0.798
12 HA CYS 3 HA CYS 3 -4.294 0.241 1.466
13 HB2 CYS 3 HB2 CYS 3 -5.640 1.996 0.567
14 HB3 CYS 3 HB3 CYS 3 -5.372 1.444 -1.084
15 H SER 4 H SER 4 -4.421 -1.897 1.505
16 HA SER 4 HA SER 4 -5.054 -3.512 -0.709
17 HB2 SER 4 HB2 SER 4 -2.659 -2.883 -1.267
18 HB3 SER 4 HB3 SER 4 -2.173 -3.809 0.153
19 HG SER 4 HG SER 4 -3.001 -4.678 -2.313
20 H ASP 5 H ASP 5 -4.011 -5.930 -0.038
21 HA ASP 5 HA ASP 5 -5.246 -6.391 2.569
22 HB2 ASP 5 HB2 ASP 5 -4.305 -8.515 0.649
23 HB3 ASP 5 HB3 ASP 5 -5.522 -8.650 1.916
24 H ARG 6 H ARG 6 -4.162 -7.058 4.329
25 HA ARG 6 HA ARG 6 -1.287 -7.629 4.016
26 HB2 ARG 6 HB2 ARG 6 -1.333 -6.808 6.537
27 HB3 ARG 6 HB3 ARG 6 -1.186 -5.674 5.200
28 HG2 ARG 6 HG2 ARG 6 -3.906 -6.365 6.184
29 HG3 ARG 6 HG3 ARG 6 -2.901 -5.280 7.147
30 HD2 ARG 6 HD2 ARG 6 -3.244 -4.811 4.213
31 HD3 ARG 6 HD3 ARG 6 -4.498 -4.302 5.342
32 HE ARG 6 HE ARG 6 -2.285 -3.235 6.428
33 HH11 ARG 6 HH11 ARG 6 -3.559 -3.191 3.188
34 HH12 ARG 6 HH12 ARG 6 -2.887 -1.640 2.805
35 HH21 ARG 6 HH21 ARG 6 -1.395 -1.193 5.935
36 HH22 ARG 6 HH22 ARG 6 -1.656 -0.505 4.368
37 H ALA 7 H ALA 7 -4.310 -8.574 5.427
38 HA ALA 7 HA ALA 7 -3.547 -10.302 7.437
39 HB1 ALA 7 HB1 ALA 7 -5.687 -11.058 7.417
40 HB2 ALA 7 HB2 ALA 7 -5.908 -9.631 6.403
41 HB3 ALA 7 HB3 ALA 7 -5.732 -11.221 5.661
42 H HIS 8 H HIS 8 -3.808 -12.775 7.291
43 HA HIS 8 HA HIS 8 -1.664 -13.860 5.932
44 HB2 HIS 8 HB2 HIS 8 -4.084 -14.983 7.246
45 HB3 HIS 8 HB3 HIS 8 -3.168 -16.060 6.196
46 HD1 HIS 8 HD1 HIS 8 -0.416 -15.933 6.822
47 HD2 HIS 8 HD2 HIS 8 -3.199 -15.084 9.787
48 HE1 HIS 8 HE1 HIS 8 0.806 -16.236 8.998
49 H GLY 9 H GLY 9 -4.917 -13.293 4.816
50 HA2 GLY 9 HA2 GLY 9 -4.939 -13.006 2.306
51 HA3 GLY 9 HA3 GLY 9 -4.242 -14.619 2.264
52 H HIS 10 H HIS 10 -5.585 -16.299 3.501
53 HA HIS 10 HA HIS 10 -8.166 -16.372 2.314
54 HB2 HIS 10 HB2 HIS 10 -6.694 -18.150 4.239
55 HB3 HIS 10 HB3 HIS 10 -8.387 -18.450 3.854
56 HD1 HIS 10 HD1 HIS 10 -6.035 -17.241 1.208
57 HD2 HIS 10 HD2 HIS 10 -7.784 -20.796 2.460
58 HE1 HIS 10 HE1 HIS 10 -5.587 -18.896 -0.632
59 H ILE 11 H ILE 11 -7.015 -14.948 5.142
60 HA ILE 11 HA ILE 11 -9.235 -15.305 6.862
61 HB ILE 11 HB ILE 11 -7.183 -13.091 6.783
62 HG12 ILE 11 HG12 ILE 11 -6.678 -15.666 7.293
63 HG13 ILE 11 HG13 ILE 11 -5.862 -14.364 8.149
64 HG21 ILE 11 HG21 ILE 11 -9.337 -13.739 8.774
65 HG22 ILE 11 HG22 ILE 11 -7.907 -12.802 9.203
66 HG23 ILE 11 HG23 ILE 11 -9.013 -12.205 7.966
67 HD11 ILE 11 HD11 ILE 11 -8.370 -15.626 9.196
68 HD12 ILE 11 HD12 ILE 11 -6.767 -16.279 9.537
69 HD13 ILE 11 HD13 ILE 11 -7.184 -14.648 10.059
70 H CYS 12 H CYS 12 -8.388 -12.793 4.513
71 HA CYS 12 HA CYS 12 -10.622 -11.130 5.067
72 HB2 CYS 12 HB2 CYS 12 -9.116 -11.250 2.454
73 HB3 CYS 12 HB3 CYS 12 -9.973 -9.876 3.146
74 H GLU 13 H GLU 13 -9.988 -13.610 2.613
75 HA GLU 13 HA GLU 13 -12.467 -13.305 1.269
76 HB2 GLU 13 HB2 GLU 13 -10.207 -14.539 0.603
77 HB3 GLU 13 HB3 GLU 13 -11.059 -15.930 1.258
78 HG2 GLU 13 HG2 GLU 13 -12.827 -14.527 -0.468
79 HG3 GLU 13 HG3 GLU 13 -11.294 -14.767 -1.304
80 H SER 14 H SER 14 -11.333 -15.541 3.775
81 HA SER 14 HA SER 14 -13.588 -17.166 3.936
82 HB2 SER 14 HB2 SER 14 -11.508 -16.372 5.964
83 HB3 SER 14 HB3 SER 14 -12.831 -17.459 6.386
84 HG SER 14 HG SER 14 -10.841 -18.482 5.630
85 H PHE 15 H PHE 15 -12.931 -14.025 5.373
86 HA PHE 15 HA PHE 15 -15.732 -13.933 6.279
87 HB2 PHE 15 HB2 PHE 15 -13.364 -12.648 7.655
88 HB3 PHE 15 HB3 PHE 15 -15.041 -12.563 8.182
89 HD1 PHE 15 HD2 PHE 15 -16.198 -14.749 8.801
90 HD2 PHE 15 HD1 PHE 15 -11.980 -14.371 8.371
91 HE1 PHE 15 HE2 PHE 15 -15.883 -16.792 10.135
92 HE2 PHE 15 HE1 PHE 15 -11.658 -16.414 9.704
93 HZ PHE 15 HZ PHE 15 -13.610 -17.627 10.588
94 H LYS 16 H LYS 16 -15.003 -13.114 3.751
95 HA LYS 16 HA LYS 16 -14.408 -10.327 3.637
96 HB2 LYS 16 HB2 LYS 16 -15.085 -10.539 1.247
97 HB3 LYS 16 HB3 LYS 16 -13.871 -11.711 1.744
98 HG2 LYS 16 HG2 LYS 16 -15.163 -13.382 1.092
99 HG3 LYS 16 HG3 LYS 16 -16.469 -12.827 2.141
100 HD2 LYS 16 HD2 LYS 16 -16.062 -11.324 -0.373
101 HD3 LYS 16 HD3 LYS 16 -16.686 -12.967 -0.529
102 HE2 LYS 16 HE2 LYS 16 -18.314 -12.185 1.377
103 HE3 LYS 16 HE3 LYS 16 -17.910 -10.579 0.773
104 HZ1 LYS 16 HZ1 LYS 16 -19.913 -11.590 -0.254
105 HZ2 LYS 16 HZ2 LYS 16 -18.923 -12.776 -0.943
106 HZ3 LYS 16 HZ3 LYS 16 -18.721 -11.152 -1.373
107 H SER 17 H SER 17 -17.343 -12.226 3.786
108 HA SER 17 HA SER 17 -19.094 -10.055 3.126
109 HB2 SER 17 HB2 SER 17 -20.760 -11.787 4.311
110 HB3 SER 17 HB3 SER 17 -20.178 -12.018 2.662
111 HG SER 17 HG SER 17 -19.568 -13.411 4.976
112 H PHE 18 H PHE 18 -17.283 -10.770 5.828
113 HA PHE 18 HA PHE 18 -19.187 -9.569 7.701
114 HB2 PHE 18 HB2 PHE 18 -16.506 -10.873 8.215
115 HB3 PHE 18 HB3 PHE 18 -17.606 -10.276 9.453
116 HD1 PHE 18 HD1 PHE 18 -17.283 -12.756 6.721
117 HD2 PHE 18 HD2 PHE 18 -19.331 -11.620 10.276
118 HE1 PHE 18 HE1 PHE 18 -18.409 -14.943 6.767
119 HE2 PHE 18 HE2 PHE 18 -20.459 -13.805 10.328
120 HZ PHE 18 HZ PHE 18 -19.998 -15.471 8.573
121 H CYS 19 H CYS 19 -17.166 -8.400 5.536
122 HA CYS 19 HA CYS 19 -15.395 -6.709 6.899
123 HB2 CYS 19 HB2 CYS 19 -16.580 -6.787 4.171
124 HB3 CYS 19 HB3 CYS 19 -15.841 -5.275 4.686
125 H LYS 20 H LYS 20 -18.780 -6.325 6.029
126 HA LYS 20 HA LYS 20 -18.821 -3.618 7.125
127 HB2 LYS 20 HB2 LYS 20 -21.167 -3.584 6.310
128 HB3 LYS 20 HB3 LYS 20 -19.998 -3.915 5.038
129 HG2 LYS 20 HG2 LYS 20 -20.688 -6.426 5.947
130 HG3 LYS 20 HG3 LYS 20 -22.206 -5.527 6.001
131 HD2 LYS 20 HD2 LYS 20 -20.454 -5.356 3.583
132 HD3 LYS 20 HD3 LYS 20 -21.501 -6.758 3.814
133 HE2 LYS 20 HE2 LYS 20 -23.209 -4.703 4.341
134 HE3 LYS 20 HE3 LYS 20 -22.171 -3.990 3.107
135 HZ1 LYS 20 HZ1 LYS 20 -22.886 -5.443 1.532
136 HZ2 LYS 20 HZ2 LYS 20 -24.285 -5.391 2.481
137 HZ3 LYS 20 HZ3 LYS 20 -23.207 -6.685 2.635
138 H ASP 21 H ASP 21 -18.531 -6.207 8.693
139 HA ASP 21 HA ASP 21 -20.928 -6.507 10.210
140 HB2 ASP 21 HB2 ASP 21 -19.087 -8.239 9.918
141 HB3 ASP 21 HB3 ASP 21 -18.155 -7.310 11.089
142 H SER 22 H SER 22 -21.615 -5.435 11.957
143 HA SER 22 HA SER 22 -20.161 -3.099 12.816
144 HB2 SER 22 HB2 SER 22 -22.876 -4.236 13.331
145 HB3 SER 22 HB3 SER 22 -22.228 -3.058 14.473
146 HG SER 22 HG SER 22 -23.172 -1.797 13.005
147 H GLY 23 H GLY 23 -18.474 -4.983 13.453
148 HA2 GLY 23 HA2 GLY 23 -18.438 -4.921 16.343
149 HA3 GLY 23 HA3 GLY 23 -18.592 -6.534 15.663
150 H ARG 24 H ARG 24 -16.492 -6.518 17.044
151 HA ARG 24 HA ARG 24 -14.155 -5.290 16.209
152 HB2 ARG 24 HB2 ARG 24 -14.379 -8.093 17.317
153 HB3 ARG 24 HB3 ARG 24 -12.963 -7.052 17.372
154 HG2 ARG 24 HG2 ARG 24 -15.071 -5.612 18.558
155 HG3 ARG 24 HG3 ARG 24 -15.127 -7.248 19.217
156 HD2 ARG 24 HD2 ARG 24 -13.692 -6.011 20.633
157 HD3 ARG 24 HD3 ARG 24 -12.650 -7.032 19.642
158 HE ARG 24 HE ARG 24 -12.972 -4.504 18.426
159 HH11 ARG 24 HH11 ARG 24 -11.387 -6.058 21.108
160 HH12 ARG 24 HH12 ARG 24 -10.083 -4.918 21.167
161 HH21 ARG 24 HH21 ARG 24 -11.261 -2.997 18.493
162 HH22 ARG 24 HH22 ARG 24 -10.013 -3.177 19.679
163 H ASN 25 H ASN 25 -15.519 -8.398 15.159
164 HA ASN 25 HA ASN 25 -13.505 -9.252 13.477
165 HB2 ASN 25 HB2 ASN 25 -16.449 -9.668 13.584
166 HB3 ASN 25 HB3 ASN 25 -15.621 -10.147 12.105
167 HD21 ASN 25 HD21 ASN 25 -14.367 -11.939 12.095
168 HD22 ASN 25 HD22 ASN 25 -14.182 -12.995 13.450
169 H GLY 26 H GLY 26 -16.120 -6.963 12.809
170 HA2 GLY 26 HA2 GLY 26 -15.564 -6.652 10.047
171 HA3 GLY 26 HA3 GLY 26 -16.481 -5.534 11.046
172 H VAL 27 H VAL 27 -14.660 -4.667 12.861
173 HA VAL 27 HA VAL 27 -13.249 -2.701 11.464
174 HB VAL 27 HB VAL 27 -12.678 -3.702 14.257
175 HG11 VAL 27 HG11 VAL 27 -12.054 -1.159 14.429
176 HG12 VAL 27 HG12 VAL 27 -10.890 -2.332 13.810
177 HG13 VAL 27 HG13 VAL 27 -11.805 -1.321 12.691
178 HG21 VAL 27 HG21 VAL 27 -14.148 -1.279 14.243
179 HG22 VAL 27 HG22 VAL 27 -14.986 -2.423 13.195
180 HG23 VAL 27 HG23 VAL 27 -14.637 -2.853 14.869
181 H LYS 28 H LYS 28 -12.094 -5.713 12.953
182 HA LYS 28 HA LYS 28 -9.375 -5.359 12.284
183 HB2 LYS 28 HB2 LYS 28 -10.978 -7.851 12.869
184 HB3 LYS 28 HB3 LYS 28 -9.232 -7.846 12.656
185 HG2 LYS 28 HG2 LYS 28 -8.849 -6.810 14.654
186 HG3 LYS 28 HG3 LYS 28 -10.412 -5.990 14.654
187 HD2 LYS 28 HD2 LYS 28 -10.942 -7.547 16.196
188 HD3 LYS 28 HD3 LYS 28 -11.206 -8.572 14.784
189 HE2 LYS 28 HE2 LYS 28 -8.423 -8.555 15.537
190 HE3 LYS 28 HE3 LYS 28 -9.438 -9.018 16.903
191 HZ1 LYS 28 HZ1 LYS 28 -8.751 -10.521 14.600
192 HZ2 LYS 28 HZ2 LYS 28 -10.432 -10.385 14.724
193 HZ3 LYS 28 HZ3 LYS 28 -9.540 -11.028 16.009
194 H LEU 29 H LEU 29 -12.113 -6.432 10.466
195 HA LEU 29 HA LEU 29 -10.650 -7.807 8.430
196 HB2 LEU 29 HB2 LEU 29 -13.456 -6.875 8.787
197 HB3 LEU 29 HB3 LEU 29 -12.907 -7.308 7.169
198 HG LEU 29 HG LEU 29 -12.707 -9.185 9.514
199 HD11 LEU 29 HD11 LEU 29 -15.067 -8.441 9.038
200 HD12 LEU 29 HD12 LEU 29 -14.764 -10.172 8.898
201 HD13 LEU 29 HD13 LEU 29 -14.890 -9.179 7.446
202 HD21 LEU 29 HD21 LEU 29 -12.276 -10.848 7.930
203 HD22 LEU 29 HD22 LEU 29 -11.323 -9.470 7.378
204 HD23 LEU 29 HD23 LEU 29 -12.856 -9.854 6.593
205 H ARG 30 H ARG 30 -12.118 -4.584 8.690
206 HA ARG 30 HA ARG 30 -11.354 -3.726 6.100
207 HB2 ARG 30 HB2 ARG 30 -12.070 -2.162 8.585
208 HB3 ARG 30 HB3 ARG 30 -11.823 -1.435 7.002
209 HG2 ARG 30 HG2 ARG 30 -13.640 -3.372 6.426
210 HG3 ARG 30 HG3 ARG 30 -14.114 -2.914 8.063
211 HD2 ARG 30 HD2 ARG 30 -13.522 -0.584 6.473
212 HD3 ARG 30 HD3 ARG 30 -14.734 -1.590 5.680
213 HE ARG 30 HE ARG 30 -15.244 -1.112 8.473
214 HH11 ARG 30 HH11 ARG 30 -15.691 0.056 5.224
215 HH12 ARG 30 HH12 ARG 30 -17.099 0.987 5.613
216 HH21 ARG 30 HH21 ARG 30 -17.097 0.110 8.998
217 HH22 ARG 30 HH22 ARG 30 -17.897 1.018 7.760
218 H ALA 31 H ALA 31 -9.607 -4.142 8.993
219 HA ALA 31 HA ALA 31 -7.545 -2.207 8.315
220 HB1 ALA 31 HB1 ALA 31 -8.248 -2.583 10.669
221 HB2 ALA 31 HB2 ALA 31 -7.570 -4.209 10.568
222 HB3 ALA 31 HB3 ALA 31 -6.518 -2.803 10.400
223 H ASN 32 H ASN 32 -7.680 -5.729 8.885
224 HA ASN 32 HA ASN 32 -5.094 -6.139 7.707
225 HB2 ASN 32 HB2 ASN 32 -7.226 -8.140 8.491
226 HB3 ASN 32 HB3 ASN 32 -5.565 -8.534 8.055
227 HD21 ASN 32 HD21 ASN 32 -7.514 -8.331 10.579
228 HD22 ASN 32 HD22 ASN 32 -6.408 -7.843 11.813
229 H CYS 33 H CYS 33 -8.178 -5.684 6.464
230 HA CYS 33 HA CYS 33 -7.311 -6.686 3.851
231 HB2 CYS 33 HB2 CYS 33 -10.154 -7.103 4.722
232 HB3 CYS 33 HB3 CYS 33 -9.266 -7.897 3.426
233 H LYS 34 H LYS 34 -6.978 -4.182 4.127
234 HA LYS 34 HA LYS 34 -9.169 -2.438 3.969
235 HB2 LYS 34 HB2 LYS 34 -6.501 -1.967 2.645
236 HB3 LYS 34 HB3 LYS 34 -7.618 -0.766 3.280
237 HG2 LYS 34 HG2 LYS 34 -7.096 -2.263 5.496
238 HG3 LYS 34 HG3 LYS 34 -5.553 -2.324 4.641
239 HD2 LYS 34 HD2 LYS 34 -5.158 -0.108 4.924
240 HD3 LYS 34 HD3 LYS 34 -6.865 0.321 4.801
241 HE2 LYS 34 HE2 LYS 34 -7.166 0.216 7.020
242 HE3 LYS 34 HE3 LYS 34 -6.216 -1.261 7.171
243 HZ1 LYS 34 HZ1 LYS 34 -5.434 1.466 7.602
244 HZ2 LYS 34 HZ2 LYS 34 -4.356 0.629 6.604
245 HZ3 LYS 34 HZ3 LYS 34 -4.712 0.037 8.148
246 H LYS 35 H LYS 35 -7.872 -4.616 1.677
247 HA LYS 35 HA LYS 35 -9.060 -3.226 -0.597
248 HB2 LYS 35 HB2 LYS 35 -6.782 -4.419 -0.633
249 HB3 LYS 35 HB3 LYS 35 -7.707 -5.914 -0.676
250 HG2 LYS 35 HG2 LYS 35 -7.117 -5.363 -2.908
251 HG3 LYS 35 HG3 LYS 35 -8.847 -5.061 -2.726
252 HD2 LYS 35 HD2 LYS 35 -7.604 -2.659 -2.027
253 HD3 LYS 35 HD3 LYS 35 -6.727 -3.238 -3.446
254 HE2 LYS 35 HE2 LYS 35 -9.711 -3.292 -3.445
255 HE3 LYS 35 HE3 LYS 35 -8.877 -1.762 -3.710
256 HZ1 LYS 35 HZ1 LYS 35 -8.684 -4.231 -5.337
257 HZ2 LYS 35 HZ2 LYS 35 -7.608 -2.936 -5.502
258 HZ3 LYS 35 HZ3 LYS 35 -9.255 -2.713 -5.820
259 H THR 36 H THR 36 -9.239 -6.467 0.881
260 HA THR 36 HA THR 36 -11.327 -7.511 -0.572
261 HB THR 36 HB THR 36 -10.953 -7.940 2.396
262 HG1 THR 36 HG1 THR 36 -8.986 -8.340 1.405
263 HG21 THR 36 HG21 THR 36 -12.003 -10.045 2.065
264 HG22 THR 36 HG22 THR 36 -11.947 -9.875 0.310
265 HG23 THR 36 HG23 THR 36 -13.023 -8.852 1.262
266 H CYS 37 H CYS 37 -11.422 -5.117 1.959
267 HA CYS 37 HA CYS 37 -14.336 -5.229 2.105
268 HB2 CYS 37 HB2 CYS 37 -12.357 -3.512 3.619
269 HB3 CYS 37 HB3 CYS 37 -14.092 -3.570 3.913
270 H GLY 38 H GLY 38 -11.772 -3.324 0.739
271 HA2 GLY 38 HA2 GLY 38 -11.960 -1.769 -0.985
272 HA3 GLY 38 HA3 GLY 38 -13.706 -1.800 -0.787
273 H LEU 39 H LEU 39 -10.703 -0.448 0.432
274 HA LEU 39 HA LEU 39 -12.261 1.775 1.570
275 HB2 LEU 39 HB2 LEU 39 -9.822 0.438 2.726
276 HB3 LEU 39 HB3 LEU 39 -10.454 1.983 3.292
277 HG LEU 39 HG LEU 39 -12.313 -0.332 3.272
278 HD11 LEU 39 HD11 LEU 39 -10.874 -0.217 5.762
279 HD12 LEU 39 HD12 LEU 39 -9.791 -0.612 4.427
280 HD13 LEU 39 HD13 LEU 39 -11.220 -1.602 4.725
281 HD21 LEU 39 HD21 LEU 39 -11.902 1.593 5.509
282 HD22 LEU 39 HD22 LEU 39 -13.383 0.822 4.941
283 HD23 LEU 39 HD23 LEU 39 -12.675 2.154 4.026
284 H CYS 40 H CYS 40 -10.149 0.875 -0.756
285 HA CYS 40 HA CYS 40 -8.219 2.960 -0.670
286 HB2 CYS 40 HB2 CYS 40 -9.140 1.487 -3.139
287 HB3 CYS 40 HB3 CYS 40 -7.576 2.243 -2.856
Start of MODEL 3
1 H1 ALA 1 H ALA 1 -1.407 6.037 3.846
2 HA ALA 1 HA ALA 1 0.718 4.294 3.455
3 HB1 ALA 1 HB1 ALA 1 -1.299 3.321 5.447
4 HB2 ALA 1 HB2 ALA 1 -0.396 2.193 4.434
5 HB3 ALA 1 HB3 ALA 1 0.462 3.273 5.533
6 H ALA 2 H ALA 2 0.275 2.654 1.886
7 HA ALA 2 HA ALA 2 -1.710 3.383 0.013
8 HB1 ALA 2 HB1 ALA 2 0.567 1.762 0.027
9 HB2 ALA 2 HB2 ALA 2 -0.772 0.696 -0.403
10 HB3 ALA 2 HB3 ALA 2 -0.464 2.151 -1.351
11 H CYS 3 H CYS 3 -2.979 1.293 -0.968
12 HA CYS 3 HA CYS 3 -4.552 0.196 1.270
13 HB2 CYS 3 HB2 CYS 3 -5.898 1.868 0.197
14 HB3 CYS 3 HB3 CYS 3 -5.508 1.237 -1.399
15 H SER 4 H SER 4 -4.679 -1.947 1.343
16 HA SER 4 HA SER 4 -5.038 -3.656 -0.834
17 HB2 SER 4 HB2 SER 4 -2.663 -4.769 -0.572
18 HB3 SER 4 HB3 SER 4 -2.892 -3.404 -1.666
19 HG SER 4 HG SER 4 -1.413 -3.579 0.626
20 H ASP 5 H ASP 5 -4.089 -6.013 -0.104
21 HA ASP 5 HA ASP 5 -5.306 -6.431 2.515
22 HB2 ASP 5 HB2 ASP 5 -4.360 -8.589 0.638
23 HB3 ASP 5 HB3 ASP 5 -5.586 -8.696 1.898
24 H ARG 6 H ARG 6 -4.206 -6.986 4.292
25 HA ARG 6 HA ARG 6 -1.339 -7.602 3.992
26 HB2 ARG 6 HB2 ARG 6 -1.383 -6.706 6.490
27 HB3 ARG 6 HB3 ARG 6 -1.223 -5.616 5.119
28 HG2 ARG 6 HG2 ARG 6 -3.949 -6.255 6.121
29 HG3 ARG 6 HG3 ARG 6 -2.938 -5.140 7.043
30 HD2 ARG 6 HD2 ARG 6 -3.235 -4.761 4.098
31 HD3 ARG 6 HD3 ARG 6 -4.538 -4.252 5.170
32 HE ARG 6 HE ARG 6 -2.391 -3.105 6.303
33 HH11 ARG 6 HH11 ARG 6 -3.542 -3.179 3.018
34 HH12 ARG 6 HH12 ARG 6 -2.889 -1.626 2.616
35 HH21 ARG 6 HH21 ARG 6 -1.527 -1.059 5.786
36 HH22 ARG 6 HH22 ARG 6 -1.742 -0.421 4.192
37 H ALA 7 H ALA 7 -4.366 -8.515 5.395
38 HA ALA 7 HA ALA 7 -3.619 -10.174 7.473
39 HB1 ALA 7 HB1 ALA 7 -5.785 -11.146 5.700
40 HB2 ALA 7 HB2 ALA 7 -5.757 -10.940 7.452
41 HB3 ALA 7 HB3 ALA 7 -5.971 -9.539 6.403
42 H HIS 8 H HIS 8 -3.923 -12.664 7.371
43 HA HIS 8 HA HIS 8 -1.748 -13.785 6.077
44 HB2 HIS 8 HB2 HIS 8 -4.183 -14.866 7.398
45 HB3 HIS 8 HB3 HIS 8 -3.260 -15.974 6.386
46 HD1 HIS 8 HD1 HIS 8 -1.651 -17.275 7.717
47 HD2 HIS 8 HD2 HIS 8 -2.179 -13.454 9.262
48 HE1 HIS 8 HE1 HIS 8 -0.159 -17.155 9.738
49 H GLY 9 H GLY 9 -4.950 -13.172 4.884
50 HA2 GLY 9 HA2 GLY 9 -4.977 -12.977 2.386
51 HA3 GLY 9 HA3 GLY 9 -4.251 -14.578 2.379
52 H HIS 10 H HIS 10 -5.583 -16.241 3.684
53 HA HIS 10 HA HIS 10 -8.139 -16.411 2.451
54 HB2 HIS 10 HB2 HIS 10 -6.688 -18.082 4.488
55 HB3 HIS 10 HB3 HIS 10 -8.358 -18.433 4.049
56 HD1 HIS 10 HD1 HIS 10 -4.992 -18.030 2.326
57 HD2 HIS 10 HD2 HIS 10 -8.595 -20.052 1.891
58 HE1 HIS 10 HE1 HIS 10 -4.676 -19.548 0.346
59 H ILE 11 H ILE 11 -7.056 -14.900 5.277
60 HA ILE 11 HA ILE 11 -9.325 -15.212 6.940
61 HB ILE 11 HB ILE 11 -7.280 -12.990 6.863
62 HG12 ILE 11 HG12 ILE 11 -6.783 -15.560 7.442
63 HG13 ILE 11 HG13 ILE 11 -5.976 -14.231 8.268
64 HG21 ILE 11 HG21 ILE 11 -8.067 -12.677 9.268
65 HG22 ILE 11 HG22 ILE 11 -9.126 -12.085 7.990
66 HG23 ILE 11 HG23 ILE 11 -9.489 -13.608 8.800
67 HD11 ILE 11 HD11 ILE 11 -8.496 -15.462 9.323
68 HD12 ILE 11 HD12 ILE 11 -6.898 -16.103 9.703
69 HD13 ILE 11 HD13 ILE 11 -7.321 -14.456 10.170
70 H CYS 12 H CYS 12 -8.433 -12.802 4.510
71 HA CYS 12 HA CYS 12 -10.640 -11.083 4.968
72 HB2 CYS 12 HB2 CYS 12 -9.165 -11.370 2.353
73 HB3 CYS 12 HB3 CYS 12 -9.972 -9.942 2.991
74 H GLU 13 H GLU 13 -10.045 -13.641 2.574
75 HA GLU 13 HA GLU 13 -12.555 -13.385 1.285
76 HB2 GLU 13 HB2 GLU 13 -10.305 -14.626 0.599
77 HB3 GLU 13 HB3 GLU 13 -11.134 -16.004 1.308
78 HG2 GLU 13 HG2 GLU 13 -12.947 -14.650 -0.413
79 HG3 GLU 13 HG3 GLU 13 -11.432 -14.909 -1.277
80 H SER 14 H SER 14 -11.357 -15.536 3.833
81 HA SER 14 HA SER 14 -13.557 -17.205 4.090
82 HB2 SER 14 HB2 SER 14 -11.511 -16.231 6.071
83 HB3 SER 14 HB3 SER 14 -12.808 -17.321 6.564
84 HG SER 14 HG SER 14 -11.326 -17.983 4.291
85 H PHE 15 H PHE 15 -13.000 -13.994 5.437
86 HA PHE 15 HA PHE 15 -15.832 -13.926 6.243
87 HB2 PHE 15 HB2 PHE 15 -13.559 -12.551 7.688
88 HB3 PHE 15 HB3 PHE 15 -15.254 -12.563 8.166
89 HD1 PHE 15 HD2 PHE 15 -16.300 -14.768 8.821
90 HD2 PHE 15 HD1 PHE 15 -12.100 -14.237 8.380
91 HE1 PHE 15 HE2 PHE 15 -15.907 -16.790 10.166
92 HE2 PHE 15 HE1 PHE 15 -11.700 -16.259 9.723
93 HZ PHE 15 HZ PHE 15 -13.605 -17.538 10.619
94 H LYS 16 H LYS 16 -15.071 -13.137 3.737
95 HA LYS 16 HA LYS 16 -14.463 -10.357 3.581
96 HB2 LYS 16 HB2 LYS 16 -15.145 -10.613 1.186
97 HB3 LYS 16 HB3 LYS 16 -13.911 -11.751 1.711
98 HG2 LYS 16 HG2 LYS 16 -15.172 -13.469 1.119
99 HG3 LYS 16 HG3 LYS 16 -16.509 -12.888 2.116
100 HD2 LYS 16 HD2 LYS 16 -16.046 -11.488 -0.452
101 HD3 LYS 16 HD3 LYS 16 -16.674 -13.135 -0.544
102 HE2 LYS 16 HE2 LYS 16 -18.678 -12.159 -0.290
103 HE3 LYS 16 HE3 LYS 16 -18.233 -12.065 1.413
104 HZ1 LYS 16 HZ1 LYS 16 -18.818 -9.964 -0.282
105 HZ2 LYS 16 HZ2 LYS 16 -17.152 -9.871 -0.010
106 HZ3 LYS 16 HZ3 LYS 16 -18.224 -9.867 1.299
107 H SER 17 H SER 17 -17.414 -12.236 3.718
108 HA SER 17 HA SER 17 -19.147 -10.074 3.002
109 HB2 SER 17 HB2 SER 17 -19.982 -12.265 2.596
110 HB3 SER 17 HB3 SER 17 -19.629 -12.784 4.244
111 HG SER 17 HG SER 17 -21.858 -11.659 3.285
112 H PHE 18 H PHE 18 -17.363 -10.737 5.743
113 HA PHE 18 HA PHE 18 -19.267 -9.442 7.555
114 HB2 PHE 18 HB2 PHE 18 -16.623 -10.779 8.168
115 HB3 PHE 18 HB3 PHE 18 -17.765 -10.157 9.356
116 HD1 PHE 18 HD1 PHE 18 -17.329 -12.692 6.696
117 HD2 PHE 18 HD2 PHE 18 -19.553 -11.466 10.111
118 HE1 PHE 18 HE1 PHE 18 -18.469 -14.873 6.732
119 HE2 PHE 18 HE2 PHE 18 -20.696 -13.645 10.154
120 HZ PHE 18 HZ PHE 18 -20.154 -15.352 8.463
121 H CYS 19 H CYS 19 -17.331 -8.301 5.376
122 HA CYS 19 HA CYS 19 -15.476 -6.650 6.716
123 HB2 CYS 19 HB2 CYS 19 -16.646 -6.770 3.984
124 HB3 CYS 19 HB3 CYS 19 -15.887 -5.257 4.467
125 H LYS 20 H LYS 20 -18.875 -6.447 6.317
126 HA LYS 20 HA LYS 20 -18.886 -3.614 7.096
127 HB2 LYS 20 HB2 LYS 20 -21.262 -3.634 6.449
128 HB3 LYS 20 HB3 LYS 20 -20.218 -4.129 5.123
129 HG2 LYS 20 HG2 LYS 20 -20.787 -6.531 6.189
130 HG3 LYS 20 HG3 LYS 20 -22.260 -5.650 6.599
131 HD2 LYS 20 HD2 LYS 20 -22.829 -6.418 4.520
132 HD3 LYS 20 HD3 LYS 20 -22.083 -4.881 4.078
133 HE2 LYS 20 HE2 LYS 20 -20.015 -6.798 4.243
134 HE3 LYS 20 HE3 LYS 20 -21.329 -7.533 3.326
135 HZ1 LYS 20 HZ1 LYS 20 -21.344 -5.430 1.977
136 HZ2 LYS 20 HZ2 LYS 20 -19.983 -6.413 1.778
137 HZ3 LYS 20 HZ3 LYS 20 -19.886 -5.017 2.728
138 H ASP 21 H ASP 21 -18.340 -5.972 8.854
139 HA ASP 21 HA ASP 21 -20.633 -6.177 10.586
140 HB2 ASP 21 HB2 ASP 21 -17.865 -7.302 10.564
141 HB3 ASP 21 HB3 ASP 21 -18.762 -7.299 12.081
142 H SER 22 H SER 22 -20.956 -5.207 12.542
143 HA SER 22 HA SER 22 -19.527 -2.750 13.007
144 HB2 SER 22 HB2 SER 22 -21.151 -2.747 15.071
145 HB3 SER 22 HB3 SER 22 -21.790 -2.482 13.450
146 HG SER 22 HG SER 22 -23.077 -4.035 14.219
147 H GLY 23 H GLY 23 -19.354 -5.981 14.141
148 HA2 GLY 23 HA2 GLY 23 -18.141 -5.374 16.681
149 HA3 GLY 23 HA3 GLY 23 -18.259 -6.960 15.931
150 H ARG 24 H ARG 24 -15.992 -6.700 17.105
151 HA ARG 24 HA ARG 24 -13.914 -5.282 15.929
152 HB2 ARG 24 HB2 ARG 24 -13.655 -8.042 17.127
153 HB3 ARG 24 HB3 ARG 24 -12.417 -6.797 17.035
154 HG2 ARG 24 HG2 ARG 24 -14.436 -5.543 18.409
155 HG3 ARG 24 HG3 ARG 24 -14.517 -7.203 19.004
156 HD2 ARG 24 HD2 ARG 24 -11.848 -6.793 19.051
157 HD3 ARG 24 HD3 ARG 24 -12.426 -5.156 19.358
158 HE ARG 24 HE ARG 24 -13.051 -5.824 21.448
159 HH11 ARG 24 HH11 ARG 24 -12.680 -8.643 19.438
160 HH12 ARG 24 HH12 ARG 24 -12.919 -9.762 20.739
161 HH21 ARG 24 HH21 ARG 24 -13.366 -7.288 23.169
162 HH22 ARG 24 HH22 ARG 24 -13.310 -8.990 22.860
163 H ASN 25 H ASN 25 -15.297 -8.405 15.059
164 HA ASN 25 HA ASN 25 -13.419 -9.340 13.270
165 HB2 ASN 25 HB2 ASN 25 -16.388 -9.541 12.770
166 HB3 ASN 25 HB3 ASN 25 -15.133 -10.697 12.334
167 HD21 ASN 25 HD21 ASN 25 -17.635 -10.783 14.038
168 HD22 ASN 25 HD22 ASN 25 -17.109 -11.514 15.513
169 H GLY 26 H GLY 26 -16.050 -7.032 12.686
170 HA2 GLY 26 HA2 GLY 26 -15.547 -6.741 9.904
171 HA3 GLY 26 HA3 GLY 26 -16.484 -5.643 10.906
172 H VAL 27 H VAL 27 -14.632 -4.753 12.709
173 HA VAL 27 HA VAL 27 -13.319 -2.727 11.305
174 HB VAL 27 HB VAL 27 -12.540 -3.741 14.040
175 HG11 VAL 27 HG11 VAL 27 -11.076 -2.072 13.984
176 HG12 VAL 27 HG12 VAL 27 -11.664 -1.555 12.402
177 HG13 VAL 27 HG13 VAL 27 -12.424 -0.941 13.871
178 HG21 VAL 27 HG21 VAL 27 -14.155 -1.941 14.819
179 HG22 VAL 27 HG22 VAL 27 -14.806 -1.960 13.180
180 HG23 VAL 27 HG23 VAL 27 -14.871 -3.417 14.172
181 H LYS 28 H LYS 28 -12.027 -5.727 12.704
182 HA LYS 28 HA LYS 28 -9.345 -5.290 11.954
183 HB2 LYS 28 HB2 LYS 28 -10.856 -7.847 12.508
184 HB3 LYS 28 HB3 LYS 28 -9.115 -7.770 12.271
185 HG2 LYS 28 HG2 LYS 28 -10.615 -6.306 14.432
186 HG3 LYS 28 HG3 LYS 28 -9.781 -7.847 14.645
187 HD2 LYS 28 HD2 LYS 28 -7.666 -6.788 14.012
188 HD3 LYS 28 HD3 LYS 28 -8.501 -5.248 13.793
189 HE2 LYS 28 HE2 LYS 28 -8.923 -5.023 16.084
190 HE3 LYS 28 HE3 LYS 28 -8.611 -6.729 16.400
191 HZ1 LYS 28 HZ1 LYS 28 -6.257 -6.277 15.758
192 HZ2 LYS 28 HZ2 LYS 28 -6.756 -5.513 17.181
193 HZ3 LYS 28 HZ3 LYS 28 -6.626 -4.626 15.746
194 H LEU 29 H LEU 29 -12.105 -6.502 10.222
195 HA LEU 29 HA LEU 29 -10.680 -7.759 8.106
196 HB2 LEU 29 HB2 LEU 29 -13.489 -6.862 8.541
197 HB3 LEU 29 HB3 LEU 29 -12.970 -7.288 6.912
198 HG LEU 29 HG LEU 29 -12.713 -9.161 9.256
199 HD11 LEU 29 HD11 LEU 29 -14.934 -9.075 7.222
200 HD12 LEU 29 HD12 LEU 29 -15.077 -8.518 8.889
201 HD13 LEU 29 HD13 LEU 29 -14.752 -10.219 8.552
202 HD21 LEU 29 HD21 LEU 29 -12.862 -9.812 6.327
203 HD22 LEU 29 HD22 LEU 29 -12.303 -10.829 7.656
204 HD23 LEU 29 HD23 LEU 29 -11.334 -9.450 7.131
205 H ARG 30 H ARG 30 -12.207 -4.570 8.451
206 HA ARG 30 HA ARG 30 -11.482 -3.661 5.861
207 HB2 ARG 30 HB2 ARG 30 -12.240 -2.128 8.354
208 HB3 ARG 30 HB3 ARG 30 -12.058 -1.408 6.760
209 HG2 ARG 30 HG2 ARG 30 -13.798 -3.422 6.230
210 HG3 ARG 30 HG3 ARG 30 -14.256 -2.986 7.878
211 HD2 ARG 30 HD2 ARG 30 -13.808 -0.635 6.267
212 HD3 ARG 30 HD3 ARG 30 -14.998 -1.697 5.515
213 HE ARG 30 HE ARG 30 -15.448 -1.231 8.320
214 HH11 ARG 30 HH11 ARG 30 -16.031 -0.085 5.084
215 HH12 ARG 30 HH12 ARG 30 -17.463 0.791 5.512
216 HH21 ARG 30 HH21 ARG 30 -17.332 -0.082 8.896
217 HH22 ARG 30 HH22 ARG 30 -18.202 0.793 7.681
218 H ALA 31 H ALA 31 -9.713 -4.089 8.724
219 HA ALA 31 HA ALA 31 -7.710 -2.078 8.040
220 HB1 ALA 31 HB1 ALA 31 -6.676 -2.631 10.159
221 HB2 ALA 31 HB2 ALA 31 -8.400 -2.333 10.389
222 HB3 ALA 31 HB3 ALA 31 -7.784 -3.986 10.375
223 H ASN 32 H ASN 32 -7.806 -5.585 8.694
224 HA ASN 32 HA ASN 32 -5.179 -5.982 7.599
225 HB2 ASN 32 HB2 ASN 32 -7.299 -7.992 8.390
226 HB3 ASN 32 HB3 ASN 32 -5.627 -8.377 7.993
227 HD21 ASN 32 HD21 ASN 32 -7.634 -8.106 10.476
228 HD22 ASN 32 HD22 ASN 32 -6.551 -7.585 11.717
229 H CYS 33 H CYS 33 -8.246 -5.626 6.275
230 HA CYS 33 HA CYS 33 -7.291 -6.638 3.702
231 HB2 CYS 33 HB2 CYS 33 -10.119 -7.195 4.556
232 HB3 CYS 33 HB3 CYS 33 -9.196 -7.934 3.252
233 H LYS 34 H LYS 34 -7.100 -4.109 3.972
234 HA LYS 34 HA LYS 34 -9.362 -2.480 3.746
235 HB2 LYS 34 HB2 LYS 34 -6.692 -1.925 2.455
236 HB3 LYS 34 HB3 LYS 34 -7.880 -0.752 3.008
237 HG2 LYS 34 HG2 LYS 34 -7.352 -2.148 5.295
238 HG3 LYS 34 HG3 LYS 34 -5.783 -2.145 4.485
239 HD2 LYS 34 HD2 LYS 34 -5.483 0.051 4.834
240 HD3 LYS 34 HD3 LYS 34 -7.152 0.439 4.412
241 HE2 LYS 34 HE2 LYS 34 -7.728 -0.593 6.708
242 HE3 LYS 34 HE3 LYS 34 -6.014 -0.387 7.060
243 HZ1 LYS 34 HZ1 LYS 34 -7.223 1.961 5.938
244 HZ2 LYS 34 HZ2 LYS 34 -6.270 1.796 7.326
245 HZ3 LYS 34 HZ3 LYS 34 -7.934 1.497 7.402
246 H LYS 35 H LYS 35 -7.929 -4.622 1.496
247 HA LYS 35 HA LYS 35 -9.127 -3.329 -0.820
248 HB2 LYS 35 HB2 LYS 35 -6.841 -4.489 -0.804
249 HB3 LYS 35 HB3 LYS 35 -7.738 -6.002 -0.787
250 HG2 LYS 35 HG2 LYS 35 -7.185 -5.584 -3.036
251 HG3 LYS 35 HG3 LYS 35 -8.900 -5.201 -2.875
252 HD2 LYS 35 HD2 LYS 35 -7.516 -2.830 -2.288
253 HD3 LYS 35 HD3 LYS 35 -6.729 -3.515 -3.712
254 HE2 LYS 35 HE2 LYS 35 -9.356 -3.861 -4.326
255 HE3 LYS 35 HE3 LYS 35 -9.411 -2.362 -3.400
256 HZ1 LYS 35 HZ1 LYS 35 -7.646 -2.852 -5.738
257 HZ2 LYS 35 HZ2 LYS 35 -7.788 -1.402 -4.879
258 HZ3 LYS 35 HZ3 LYS 35 -9.096 -1.980 -5.782
259 H THR 36 H THR 36 -9.302 -6.530 0.743
260 HA THR 36 HA THR 36 -11.370 -7.618 -0.717
261 HB THR 36 HB THR 36 -10.895 -7.988 2.248
262 HG1 THR 36 HG1 THR 36 -9.826 -9.290 -0.049
263 HG21 THR 36 HG21 THR 36 -12.024 -10.114 1.989
264 HG22 THR 36 HG22 THR 36 -12.248 -9.820 0.264
265 HG23 THR 36 HG23 THR 36 -13.089 -8.817 1.446
266 H CYS 37 H CYS 37 -11.493 -5.157 1.735
267 HA CYS 37 HA CYS 37 -14.408 -5.303 1.887
268 HB2 CYS 37 HB2 CYS 37 -12.458 -3.530 3.375
269 HB3 CYS 37 HB3 CYS 37 -14.192 -3.619 3.669
270 H GLY 38 H GLY 38 -11.860 -3.423 0.471
271 HA2 GLY 38 HA2 GLY 38 -12.054 -1.900 -1.278
272 HA3 GLY 38 HA3 GLY 38 -13.799 -1.935 -1.079
273 H LEU 39 H LEU 39 -10.803 -0.556 0.135
274 HA LEU 39 HA LEU 39 -12.368 1.701 1.193
275 HB2 LEU 39 HB2 LEU 39 -9.971 0.372 2.442
276 HB3 LEU 39 HB3 LEU 39 -10.608 1.932 2.957
277 HG LEU 39 HG LEU 39 -12.487 -0.364 2.938
278 HD11 LEU 39 HD11 LEU 39 -11.428 -1.627 4.421
279 HD12 LEU 39 HD12 LEU 39 -11.117 -0.237 5.460
280 HD13 LEU 39 HD13 LEU 39 -9.989 -0.639 4.165
281 HD21 LEU 39 HD21 LEU 39 -12.040 2.154 4.477
282 HD22 LEU 39 HD22 LEU 39 -12.970 0.842 5.203
283 HD23 LEU 39 HD23 LEU 39 -13.500 1.564 3.683
284 H CYS 40 H CYS 40 -10.264 0.757 -1.093
285 HA CYS 40 HA CYS 40 -8.275 2.783 -1.002
286 HB2 CYS 40 HB2 CYS 40 -9.236 1.344 -3.476
287 HB3 CYS 40 HB3 CYS 40 -7.649 2.050 -3.188
Start of MODEL 4
1 H1 ALA 1 H ALA 1 -0.902 5.204 4.550
2 HA ALA 1 HA ALA 1 0.934 3.391 3.773
3 HB1 ALA 1 HB1 ALA 1 -1.118 1.816 5.305
4 HB2 ALA 1 HB2 ALA 1 0.384 1.244 4.578
5 HB3 ALA 1 HB3 ALA 1 0.434 2.288 5.998
6 H ALA 2 H ALA 2 0.392 2.403 1.853
7 HA ALA 2 HA ALA 2 -1.796 3.389 0.426
8 HB1 ALA 2 HB1 ALA 2 -0.934 2.291 -1.358
9 HB2 ALA 2 HB2 ALA 2 0.464 2.160 -0.291
10 HB3 ALA 2 HB3 ALA 2 -0.653 0.805 -0.450
11 H CYS 3 H CYS 3 -3.340 1.800 -0.776
12 HA CYS 3 HA CYS 3 -4.773 0.322 1.307
13 HB2 CYS 3 HB2 CYS 3 -6.125 1.972 0.213
14 HB3 CYS 3 HB3 CYS 3 -5.637 1.400 -1.379
15 H SER 4 H SER 4 -4.774 -1.822 1.344
16 HA SER 4 HA SER 4 -5.022 -3.506 -0.867
17 HB2 SER 4 HB2 SER 4 -2.580 -4.504 -0.534
18 HB3 SER 4 HB3 SER 4 -2.890 -3.199 -1.678
19 HG SER 4 HG SER 4 -1.717 -1.916 -0.501
20 H ASP 5 H ASP 5 -4.081 -5.841 -0.194
21 HA ASP 5 HA ASP 5 -5.253 -6.340 2.429
22 HB2 ASP 5 HB2 ASP 5 -4.285 -8.455 0.519
23 HB3 ASP 5 HB3 ASP 5 -5.533 -8.579 1.756
24 H ARG 6 H ARG 6 -4.122 -6.896 4.183
25 HA ARG 6 HA ARG 6 -1.253 -7.481 3.839
26 HB2 ARG 6 HB2 ARG 6 -1.243 -6.611 6.332
27 HB3 ARG 6 HB3 ARG 6 -1.170 -5.491 4.978
28 HG2 ARG 6 HG2 ARG 6 -3.840 -6.229 6.051
29 HG3 ARG 6 HG3 ARG 6 -2.829 -5.124 6.985
30 HD2 ARG 6 HD2 ARG 6 -3.380 -4.707 4.061
31 HD3 ARG 6 HD3 ARG 6 -4.460 -4.095 5.314
32 HE ARG 6 HE ARG 6 -1.980 -2.972 4.517
33 HH11 ARG 6 HH11 ARG 6 -3.997 -3.519 7.301
34 HH12 ARG 6 HH12 ARG 6 -3.381 -2.157 8.177
35 HH21 ARG 6 HH21 ARG 6 -1.162 -1.176 5.660
36 HH22 ARG 6 HH22 ARG 6 -1.770 -0.824 7.243
37 H ALA 7 H ALA 7 -4.254 -8.437 5.272
38 HA ALA 7 HA ALA 7 -3.444 -10.126 7.310
39 HB1 ALA 7 HB1 ALA 7 -5.590 -10.816 7.374
40 HB2 ALA 7 HB2 ALA 7 -5.831 -9.477 6.251
41 HB3 ALA 7 HB3 ALA 7 -5.658 -11.122 5.638
42 H HIS 8 H HIS 8 -3.861 -12.635 7.113
43 HA HIS 8 HA HIS 8 -1.695 -13.743 5.770
44 HB2 HIS 8 HB2 HIS 8 -4.123 -14.827 7.101
45 HB3 HIS 8 HB3 HIS 8 -3.233 -15.918 6.043
46 HD1 HIS 8 HD1 HIS 8 -0.394 -15.493 6.660
47 HD2 HIS 8 HD2 HIS 8 -3.301 -15.291 9.622
48 HE1 HIS 8 HE1 HIS 8 0.820 -15.906 8.824
49 H GLY 9 H GLY 9 -4.834 -12.934 4.604
50 HA2 GLY 9 HA2 GLY 9 -4.986 -12.699 2.157
51 HA3 GLY 9 HA3 GLY 9 -4.185 -14.259 2.043
52 H HIS 10 H HIS 10 -5.430 -16.010 3.411
53 HA HIS 10 HA HIS 10 -7.963 -16.312 2.157
54 HB2 HIS 10 HB2 HIS 10 -8.122 -18.364 3.625
55 HB3 HIS 10 HB3 HIS 10 -6.704 -18.292 2.583
56 HD1 HIS 10 HD1 HIS 10 -7.686 -17.752 6.197
57 HD2 HIS 10 HD2 HIS 10 -4.305 -18.456 3.887
58 HE1 HIS 10 HE1 HIS 10 -5.822 -18.152 7.837
59 H ILE 11 H ILE 11 -6.951 -14.849 5.072
60 HA ILE 11 HA ILE 11 -9.278 -15.213 6.638
61 HB ILE 11 HB ILE 11 -7.268 -12.960 6.718
62 HG12 ILE 11 HG12 ILE 11 -6.743 -15.570 7.171
63 HG13 ILE 11 HG13 ILE 11 -5.928 -14.259 8.016
64 HG21 ILE 11 HG21 ILE 11 -9.462 -13.772 8.603
65 HG22 ILE 11 HG22 ILE 11 -8.091 -12.787 9.111
66 HG23 ILE 11 HG23 ILE 11 -9.183 -12.198 7.858
67 HD11 ILE 11 HD11 ILE 11 -7.220 -14.550 9.941
68 HD12 ILE 11 HD12 ILE 11 -8.419 -15.526 9.092
69 HD13 ILE 11 HD13 ILE 11 -6.814 -16.183 9.412
70 H CYS 12 H CYS 12 -8.349 -12.816 4.232
71 HA CYS 12 HA CYS 12 -10.492 -11.025 4.694
72 HB2 CYS 12 HB2 CYS 12 -9.070 -11.423 2.062
73 HB3 CYS 12 HB3 CYS 12 -9.842 -9.959 2.662
74 H GLU 13 H GLU 13 -10.027 -13.600 2.282
75 HA GLU 13 HA GLU 13 -12.601 -13.298 1.119
76 HB2 GLU 13 HB2 GLU 13 -10.379 -15.261 0.926
77 HB3 GLU 13 HB3 GLU 13 -11.971 -15.805 0.418
78 HG2 GLU 13 HG2 GLU 13 -11.178 -13.191 -0.640
79 HG3 GLU 13 HG3 GLU 13 -10.181 -14.543 -1.175
80 H SER 14 H SER 14 -11.275 -15.468 3.578
81 HA SER 14 HA SER 14 -13.427 -17.183 3.902
82 HB2 SER 14 HB2 SER 14 -11.218 -17.459 5.005
83 HB3 SER 14 HB3 SER 14 -11.623 -16.135 6.097
84 HG SER 14 HG SER 14 -12.047 -18.341 6.872
85 H PHE 15 H PHE 15 -12.895 -13.972 5.262
86 HA PHE 15 HA PHE 15 -15.706 -13.966 6.141
87 HB2 PHE 15 HB2 PHE 15 -13.405 -12.601 7.554
88 HB3 PHE 15 HB3 PHE 15 -15.091 -12.596 8.061
89 HD1 PHE 15 HD1 PHE 15 -12.017 -14.554 7.848
90 HD2 PHE 15 HD2 PHE 15 -16.091 -14.547 9.079
91 HE1 PHE 15 HE1 PHE 15 -11.617 -16.591 9.170
92 HE2 PHE 15 HE2 PHE 15 -15.698 -16.583 10.403
93 HZ PHE 15 HZ PHE 15 -13.459 -17.607 10.451
94 H LYS 16 H LYS 16 -14.961 -13.122 3.626
95 HA LYS 16 HA LYS 16 -14.426 -10.330 3.506
96 HB2 LYS 16 HB2 LYS 16 -15.138 -10.560 1.119
97 HB3 LYS 16 HB3 LYS 16 -13.879 -11.687 1.606
98 HG2 LYS 16 HG2 LYS 16 -15.122 -13.408 0.989
99 HG3 LYS 16 HG3 LYS 16 -16.441 -12.881 2.037
100 HD2 LYS 16 HD2 LYS 16 -16.059 -11.433 -0.527
101 HD3 LYS 16 HD3 LYS 16 -16.710 -13.072 -0.604
102 HE2 LYS 16 HE2 LYS 16 -18.538 -12.482 0.825
103 HE3 LYS 16 HE3 LYS 16 -17.834 -10.900 1.157
104 HZ1 LYS 16 HZ1 LYS 16 -18.019 -10.612 -1.388
105 HZ2 LYS 16 HZ2 LYS 16 -19.403 -10.423 -0.436
106 HZ3 LYS 16 HZ3 LYS 16 -19.155 -11.862 -1.291
107 H SER 17 H SER 17 -17.337 -12.266 3.667
108 HA SER 17 HA SER 17 -19.132 -10.147 2.995
109 HB2 SER 17 HB2 SER 17 -19.387 -12.940 3.995
110 HB3 SER 17 HB3 SER 17 -20.750 -11.855 4.271
111 HG SER 17 HG SER 17 -21.252 -12.150 2.265
112 H PHE 18 H PHE 18 -17.311 -10.837 5.736
113 HA PHE 18 HA PHE 18 -19.182 -9.514 7.558
114 HB2 PHE 18 HB2 PHE 18 -16.529 -10.842 8.152
115 HB3 PHE 18 HB3 PHE 18 -17.672 -10.232 9.344
116 HD1 PHE 18 HD2 PHE 18 -17.202 -12.769 6.695
117 HD2 PHE 18 HD1 PHE 18 -19.467 -11.547 10.086
118 HE1 PHE 18 HE2 PHE 18 -18.323 -14.959 6.731
119 HE2 PHE 18 HE1 PHE 18 -20.591 -13.736 10.127
120 HZ PHE 18 HZ PHE 18 -20.021 -15.444 8.448
121 H CYS 19 H CYS 19 -17.312 -8.359 5.351
122 HA CYS 19 HA CYS 19 -15.431 -6.707 6.674
123 HB2 CYS 19 HB2 CYS 19 -16.607 -6.852 3.945
124 HB3 CYS 19 HB3 CYS 19 -15.848 -5.335 4.415
125 H LYS 20 H LYS 20 -18.833 -6.500 6.243
126 HA LYS 20 HA LYS 20 -18.844 -3.668 7.020
127 HB2 LYS 20 HB2 LYS 20 -21.277 -3.774 6.416
128 HB3 LYS 20 HB3 LYS 20 -20.177 -4.066 5.075
129 HG2 LYS 20 HG2 LYS 20 -21.175 -5.993 4.660
130 HG3 LYS 20 HG3 LYS 20 -20.785 -6.564 6.284
131 HD2 LYS 20 HD2 LYS 20 -23.063 -6.702 6.370
132 HD3 LYS 20 HD3 LYS 20 -22.853 -5.038 6.922
133 HE2 LYS 20 HE2 LYS 20 -23.187 -4.279 4.583
134 HE3 LYS 20 HE3 LYS 20 -23.523 -5.948 4.125
135 HZ1 LYS 20 HZ1 LYS 20 -25.129 -5.268 6.324
136 HZ2 LYS 20 HZ2 LYS 20 -25.612 -5.675 4.756
137 HZ3 LYS 20 HZ3 LYS 20 -25.300 -4.060 5.152
138 H ASP 21 H ASP 21 -18.325 -6.037 8.783
139 HA ASP 21 HA ASP 21 -20.631 -6.220 10.501
140 HB2 ASP 21 HB2 ASP 21 -17.875 -7.373 10.491
141 HB3 ASP 21 HB3 ASP 21 -18.774 -7.358 12.006
142 H SER 22 H SER 22 -20.942 -5.269 12.474
143 HA SER 22 HA SER 22 -19.514 -2.811 12.940
144 HB2 SER 22 HB2 SER 22 -21.122 -2.790 15.000
145 HB3 SER 22 HB3 SER 22 -21.791 -2.578 13.382
146 HG SER 22 HG SER 22 -23.034 -4.117 14.314
147 H GLY 23 H GLY 23 -19.364 -6.048 14.092
148 HA2 GLY 23 HA2 GLY 23 -18.131 -5.455 16.617
149 HA3 GLY 23 HA3 GLY 23 -18.235 -7.033 15.852
150 H ARG 24 H ARG 24 -15.973 -6.814 17.001
151 HA ARG 24 HA ARG 24 -13.909 -5.349 15.829
152 HB2 ARG 24 HB2 ARG 24 -13.624 -8.097 17.047
153 HB3 ARG 24 HB3 ARG 24 -12.394 -6.846 16.939
154 HG2 ARG 24 HG2 ARG 24 -14.424 -5.598 18.310
155 HG3 ARG 24 HG3 ARG 24 -14.476 -7.252 18.923
156 HD2 ARG 24 HD2 ARG 24 -11.971 -7.060 19.250
157 HD3 ARG 24 HD3 ARG 24 -12.158 -5.335 18.938
158 HE ARG 24 HE ARG 24 -13.974 -5.971 20.922
159 HH11 ARG 24 HH11 ARG 24 -10.521 -6.062 20.488
160 HH12 ARG 24 HH12 ARG 24 -10.172 -5.814 22.167
161 HH21 ARG 24 HH21 ARG 24 -13.528 -5.644 23.135
162 HH22 ARG 24 HH22 ARG 24 -11.883 -5.577 23.672
163 H ASN 25 H ASN 25 -15.344 -8.420 14.921
164 HA ASN 25 HA ASN 25 -13.440 -9.387 13.157
165 HB2 ASN 25 HB2 ASN 25 -16.388 -9.684 13.430
166 HB3 ASN 25 HB3 ASN 25 -15.664 -10.205 11.911
167 HD21 ASN 25 HD21 ASN 25 -16.406 -11.075 15.042
168 HD22 ASN 25 HD22 ASN 25 -15.442 -12.505 15.156
169 H GLY 26 H GLY 26 -16.078 -7.089 12.546
170 HA2 GLY 26 HA2 GLY 26 -15.543 -6.791 9.773
171 HA3 GLY 26 HA3 GLY 26 -16.495 -5.696 10.765
172 H VAL 27 H VAL 27 -14.705 -4.758 12.574
173 HA VAL 27 HA VAL 27 -13.363 -2.752 11.172
174 HB VAL 27 HB VAL 27 -12.680 -3.723 13.949
175 HG11 VAL 27 HG11 VAL 27 -12.421 -1.002 13.914
176 HG12 VAL 27 HG12 VAL 27 -11.095 -2.153 13.731
177 HG13 VAL 27 HG13 VAL 27 -11.857 -1.449 12.304
178 HG21 VAL 27 HG21 VAL 27 -15.019 -3.348 13.947
179 HG22 VAL 27 HG22 VAL 27 -14.288 -1.908 14.656
180 HG23 VAL 27 HG23 VAL 27 -14.855 -1.878 12.986
181 H LYS 28 H LYS 28 -12.090 -5.718 12.661
182 HA LYS 28 HA LYS 28 -9.392 -5.279 11.975
183 HB2 LYS 28 HB2 LYS 28 -10.912 -7.826 12.546
184 HB3 LYS 28 HB3 LYS 28 -9.168 -7.762 12.329
185 HG2 LYS 28 HG2 LYS 28 -8.815 -6.722 14.332
186 HG3 LYS 28 HG3 LYS 28 -10.409 -5.964 14.345
187 HD2 LYS 28 HD2 LYS 28 -10.505 -7.610 16.019
188 HD3 LYS 28 HD3 LYS 28 -11.343 -8.319 14.637
189 HE2 LYS 28 HE2 LYS 28 -9.507 -9.702 14.108
190 HE3 LYS 28 HE3 LYS 28 -8.423 -8.798 15.164
191 HZ1 LYS 28 HZ1 LYS 28 -8.925 -10.728 16.340
192 HZ2 LYS 28 HZ2 LYS 28 -10.562 -10.692 15.918
193 HZ3 LYS 28 HZ3 LYS 28 -9.950 -9.571 17.027
194 H LEU 29 H LEU 29 -12.100 -6.498 10.179
195 HA LEU 29 HA LEU 29 -10.602 -7.788 8.124
196 HB2 LEU 29 HB2 LEU 29 -13.435 -6.941 8.488
197 HB3 LEU 29 HB3 LEU 29 -12.875 -7.363 6.871
198 HG LEU 29 HG LEU 29 -12.608 -9.226 9.220
199 HD11 LEU 29 HD11 LEU 29 -14.843 -9.136 7.199
200 HD12 LEU 29 HD12 LEU 29 -14.977 -8.645 8.887
201 HD13 LEU 29 HD13 LEU 29 -14.630 -10.326 8.482
202 HD21 LEU 29 HD21 LEU 29 -11.239 -9.480 7.072
203 HD22 LEU 29 HD22 LEU 29 -12.767 -9.902 6.300
204 HD23 LEU 29 HD23 LEU 29 -12.152 -10.881 7.632
205 H ARG 30 H ARG 30 -12.212 -4.627 8.367
206 HA ARG 30 HA ARG 30 -11.453 -3.738 5.789
207 HB2 ARG 30 HB2 ARG 30 -12.257 -2.198 8.262
208 HB3 ARG 30 HB3 ARG 30 -12.036 -1.471 6.676
209 HG2 ARG 30 HG2 ARG 30 -13.760 -3.480 6.090
210 HG3 ARG 30 HG3 ARG 30 -14.258 -3.061 7.731
211 HD2 ARG 30 HD2 ARG 30 -13.777 -0.694 6.153
212 HD3 ARG 30 HD3 ARG 30 -14.948 -1.751 5.365
213 HE ARG 30 HE ARG 30 -15.473 -1.328 8.158
214 HH11 ARG 30 HH11 ARG 30 -15.939 -0.085 4.940
215 HH12 ARG 30 HH12 ARG 30 -17.370 0.801 5.349
216 HH21 ARG 30 HH21 ARG 30 -17.356 -0.166 8.709
217 HH22 ARG 30 HH22 ARG 30 -18.175 0.755 7.493
218 H ALA 31 H ALA 31 -9.698 -4.125 8.664
219 HA ALA 31 HA ALA 31 -7.717 -2.091 8.006
220 HB1 ALA 31 HB1 ALA 31 -7.673 -4.066 10.281
221 HB2 ALA 31 HB2 ALA 31 -6.701 -2.603 10.111
222 HB3 ALA 31 HB3 ALA 31 -8.443 -2.481 10.358
223 H ASN 32 H ASN 32 -7.716 -5.606 8.629
224 HA ASN 32 HA ASN 32 -5.104 -5.935 7.493
225 HB2 ASN 32 HB2 ASN 32 -7.166 -8.031 8.209
226 HB3 ASN 32 HB3 ASN 32 -5.461 -8.325 7.879
227 HD21 ASN 32 HD21 ASN 32 -7.581 -8.203 10.276
228 HD22 ASN 32 HD22 ASN 32 -6.580 -7.647 11.571
229 H CYS 33 H CYS 33 -8.192 -5.625 6.197
230 HA CYS 33 HA CYS 33 -7.230 -6.553 3.595
231 HB2 CYS 33 HB2 CYS 33 -10.007 -7.242 4.547
232 HB3 CYS 33 HB3 CYS 33 -9.170 -7.839 3.118
233 H LYS 34 H LYS 34 -7.082 -4.058 3.805
234 HA LYS 34 HA LYS 34 -9.414 -2.486 3.664
235 HB2 LYS 34 HB2 LYS 34 -6.789 -1.787 2.358
236 HB3 LYS 34 HB3 LYS 34 -7.999 -0.691 3.012
237 HG2 LYS 34 HG2 LYS 34 -7.358 -2.163 5.208
238 HG3 LYS 34 HG3 LYS 34 -5.816 -2.106 4.350
239 HD2 LYS 34 HD2 LYS 34 -7.150 0.471 4.368
240 HD3 LYS 34 HD3 LYS 34 -6.865 -0.139 6.000
241 HE2 LYS 34 HE2 LYS 34 -4.625 0.062 5.822
242 HE3 LYS 34 HE3 LYS 34 -4.611 -0.428 4.129
243 HZ1 LYS 34 HZ1 LYS 34 -5.289 1.755 3.477
244 HZ2 LYS 34 HZ2 LYS 34 -3.942 1.904 4.489
245 HZ3 LYS 34 HZ3 LYS 34 -5.489 2.241 5.085
246 H LYS 35 H LYS 35 -7.917 -4.540 1.377
247 HA LYS 35 HA LYS 35 -9.130 -3.236 -0.922
248 HB2 LYS 35 HB2 LYS 35 -6.830 -4.364 -0.913
249 HB3 LYS 35 HB3 LYS 35 -7.704 -5.890 -0.917
250 HG2 LYS 35 HG2 LYS 35 -7.161 -5.450 -3.159
251 HG3 LYS 35 HG3 LYS 35 -8.877 -5.068 -2.998
252 HD2 LYS 35 HD2 LYS 35 -7.467 -2.708 -2.384
253 HD3 LYS 35 HD3 LYS 35 -6.714 -3.380 -3.833
254 HE2 LYS 35 HE2 LYS 35 -9.364 -3.692 -4.388
255 HE3 LYS 35 HE3 LYS 35 -9.372 -2.196 -3.456
256 HZ1 LYS 35 HZ1 LYS 35 -8.845 -1.228 -5.376
257 HZ2 LYS 35 HZ2 LYS 35 -8.413 -2.686 -6.117
258 HZ3 LYS 35 HZ3 LYS 35 -7.290 -1.860 -5.159
259 H THR 36 H THR 36 -9.248 -6.489 0.541
260 HA THR 36 HA THR 36 -11.316 -7.552 -0.933
261 HB THR 36 HB THR 36 -10.774 -8.019 2.006
262 HG1 THR 36 HG1 THR 36 -9.730 -9.138 -0.382
263 HG21 THR 36 HG21 THR 36 -11.914 -10.140 1.708
264 HG22 THR 36 HG22 THR 36 -12.214 -9.770 0.010
265 HG23 THR 36 HG23 THR 36 -12.995 -8.818 1.272
266 H CYS 37 H CYS 37 -11.453 -5.214 1.646
267 HA CYS 37 HA CYS 37 -14.355 -5.409 1.840
268 HB2 CYS 37 HB2 CYS 37 -12.381 -3.638 3.298
269 HB3 CYS 37 HB3 CYS 37 -14.112 -3.697 3.617
270 H GLY 38 H GLY 38 -11.888 -3.403 0.426
271 HA2 GLY 38 HA2 GLY 38 -12.180 -1.884 -1.321
272 HA3 GLY 38 HA3 GLY 38 -13.917 -1.963 -1.067
273 H LEU 39 H LEU 39 -10.917 -0.527 0.067
274 HA LEU 39 HA LEU 39 -12.496 1.687 1.188
275 HB2 LEU 39 HB2 LEU 39 -10.058 0.384 2.385
276 HB3 LEU 39 HB3 LEU 39 -10.715 1.926 2.928
277 HG LEU 39 HG LEU 39 -12.541 -0.416 2.911
278 HD11 LEU 39 HD11 LEU 39 -11.457 -1.644 4.408
279 HD12 LEU 39 HD12 LEU 39 -11.128 -0.235 5.417
280 HD13 LEU 39 HD13 LEU 39 -10.033 -0.650 4.097
281 HD21 LEU 39 HD21 LEU 39 -13.082 1.995 3.584
282 HD22 LEU 39 HD22 LEU 39 -12.139 1.664 5.037
283 HD23 LEU 39 HD23 LEU 39 -13.577 0.706 4.680
284 H CYS 40 H CYS 40 -10.419 0.799 -1.143
285 HA CYS 40 HA CYS 40 -8.457 2.854 -1.062
286 HB2 CYS 40 HB2 CYS 40 -9.435 1.423 -3.534
287 HB3 CYS 40 HB3 CYS 40 -7.855 2.152 -3.265
Start of MODEL 5
1 H1 ALA 1 H ALA 1 -0.262 7.393 2.026
2 HA ALA 1 HA ALA 1 -0.883 5.533 3.188
3 HB1 ALA 1 HB1 ALA 1 -3.740 5.732 2.758
4 HB2 ALA 1 HB2 ALA 1 -2.806 5.914 4.243
5 HB3 ALA 1 HB3 ALA 1 -3.023 7.292 3.164
6 H ALA 2 H ALA 2 -0.262 3.718 2.173
7 HA ALA 2 HA ALA 2 -1.293 2.819 -0.305
8 HB1 ALA 2 HB1 ALA 2 0.906 2.219 1.130
9 HB2 ALA 2 HB2 ALA 2 -0.092 0.807 1.481
10 HB3 ALA 2 HB3 ALA 2 0.293 1.221 -0.189
11 H CYS 3 H CYS 3 -2.736 1.181 -0.795
12 HA CYS 3 HA CYS 3 -4.353 0.149 1.439
13 HB2 CYS 3 HB2 CYS 3 -5.690 1.865 0.454
14 HB3 CYS 3 HB3 CYS 3 -5.313 1.314 -1.175
15 H SER 4 H SER 4 -4.437 -1.991 1.480
16 HA SER 4 HA SER 4 -4.913 -3.637 -0.742
17 HB2 SER 4 HB2 SER 4 -2.058 -3.135 -0.066
18 HB3 SER 4 HB3 SER 4 -2.517 -4.796 -0.441
19 HG SER 4 HG SER 4 -2.389 -4.188 -2.441
20 H ASP 5 H ASP 5 -4.033 -6.034 -0.089
21 HA ASP 5 HA ASP 5 -5.241 -6.496 2.522
22 HB2 ASP 5 HB2 ASP 5 -4.301 -8.616 0.597
23 HB3 ASP 5 HB3 ASP 5 -5.525 -8.750 1.857
24 H ARG 6 H ARG 6 -4.158 -7.098 4.294
25 HA ARG 6 HA ARG 6 -1.299 -7.752 3.997
26 HB2 ARG 6 HB2 ARG 6 -1.336 -6.865 6.501
27 HB3 ARG 6 HB3 ARG 6 -1.138 -5.777 5.134
28 HG2 ARG 6 HG2 ARG 6 -3.878 -6.356 6.154
29 HG3 ARG 6 HG3 ARG 6 -2.840 -5.228 7.028
30 HD2 ARG 6 HD2 ARG 6 -3.057 -4.884 4.092
31 HD3 ARG 6 HD3 ARG 6 -4.469 -4.462 5.060
32 HE ARG 6 HE ARG 6 -3.233 -2.747 6.080
33 HH11 ARG 6 HH11 ARG 6 -1.375 -4.497 3.713
34 HH12 ARG 6 HH12 ARG 6 -0.143 -3.284 3.592
35 HH21 ARG 6 HH21 ARG 6 -1.618 -1.143 5.929
36 HH22 ARG 6 HH22 ARG 6 -0.282 -1.377 4.854
37 H ALA 7 H ALA 7 -4.348 -8.637 5.345
38 HA ALA 7 HA ALA 7 -3.661 -10.300 7.441
39 HB1 ALA 7 HB1 ALA 7 -5.804 -11.038 7.377
40 HB2 ALA 7 HB2 ALA 7 -5.983 -9.651 6.302
41 HB3 ALA 7 HB3 ALA 7 -5.790 -11.269 5.628
42 H HIS 8 H HIS 8 -3.989 -12.790 7.327
43 HA HIS 8 HA HIS 8 -1.788 -13.924 6.085
44 HB2 HIS 8 HB2 HIS 8 -4.257 -14.988 7.356
45 HB3 HIS 8 HB3 HIS 8 -3.321 -16.103 6.364
46 HD1 HIS 8 HD1 HIS 8 -1.760 -13.449 8.537
47 HD2 HIS 8 HD2 HIS 8 -2.272 -17.571 8.449
48 HE1 HIS 8 HE1 HIS 8 -0.307 -14.346 10.383
49 H GLY 9 H GLY 9 -4.948 -13.273 4.816
50 HA2 GLY 9 HA2 GLY 9 -4.887 -13.094 2.308
51 HA3 GLY 9 HA3 GLY 9 -4.230 -14.723 2.343
52 H HIS 10 H HIS 10 -5.656 -16.334 3.570
53 HA HIS 10 HA HIS 10 -8.195 -16.379 2.296
54 HB2 HIS 10 HB2 HIS 10 -7.319 -18.142 4.585
55 HB3 HIS 10 HB3 HIS 10 -8.510 -18.507 3.340
56 HD1 HIS 10 HD1 HIS 10 -4.938 -18.770 4.112
57 HD2 HIS 10 HD2 HIS 10 -7.346 -18.983 0.734
58 HE1 HIS 10 HE1 HIS 10 -3.516 -19.847 2.340
59 H ILE 11 H ILE 11 -7.099 -14.950 5.159
60 HA ILE 11 HA ILE 11 -9.389 -15.192 6.794
61 HB ILE 11 HB ILE 11 -7.274 -13.039 6.734
62 HG12 ILE 11 HG12 ILE 11 -6.828 -15.590 7.317
63 HG13 ILE 11 HG13 ILE 11 -6.063 -14.294 8.231
64 HG21 ILE 11 HG21 ILE 11 -9.109 -12.057 7.822
65 HG22 ILE 11 HG22 ILE 11 -9.529 -13.558 8.646
66 HG23 ILE 11 HG23 ILE 11 -8.083 -12.667 9.121
67 HD11 ILE 11 HD11 ILE 11 -8.660 -15.498 9.106
68 HD12 ILE 11 HD12 ILE 11 -7.108 -16.224 9.526
69 HD13 ILE 11 HD13 ILE 11 -7.485 -14.583 10.051
70 H CYS 12 H CYS 12 -8.428 -12.824 4.355
71 HA CYS 12 HA CYS 12 -10.620 -11.064 4.810
72 HB2 CYS 12 HB2 CYS 12 -9.076 -11.301 2.231
73 HB3 CYS 12 HB3 CYS 12 -9.871 -9.878 2.896
74 H GLU 13 H GLU 13 -9.973 -13.594 2.402
75 HA GLU 13 HA GLU 13 -12.413 -13.282 1.003
76 HB2 GLU 13 HB2 GLU 13 -10.167 -14.587 0.430
77 HB3 GLU 13 HB3 GLU 13 -11.068 -15.939 1.100
78 HG2 GLU 13 HG2 GLU 13 -12.754 -14.538 -0.712
79 HG3 GLU 13 HG3 GLU 13 -11.208 -14.851 -1.498
80 H SER 14 H SER 14 -11.395 -15.522 3.562
81 HA SER 14 HA SER 14 -13.674 -17.088 3.719
82 HB2 SER 14 HB2 SER 14 -11.553 -17.503 4.964
83 HB3 SER 14 HB3 SER 14 -11.977 -16.188 6.059
84 HG SER 14 HG SER 14 -13.883 -17.382 6.581
85 H PHE 15 H PHE 15 -12.986 -13.991 5.297
86 HA PHE 15 HA PHE 15 -15.846 -13.801 5.981
87 HB2 PHE 15 HB2 PHE 15 -13.565 -12.482 7.462
88 HB3 PHE 15 HB3 PHE 15 -15.263 -12.493 7.927
89 HD1 PHE 15 HD1 PHE 15 -12.187 -14.470 7.718
90 HD2 PHE 15 HD2 PHE 15 -16.255 -14.414 8.970
91 HE1 PHE 15 HE1 PHE 15 -11.806 -16.512 9.037
92 HE2 PHE 15 HE2 PHE 15 -15.880 -16.455 10.292
93 HZ PHE 15 HZ PHE 15 -13.653 -17.506 10.327
94 H LYS 16 H LYS 16 -15.050 -13.025 3.491
95 HA LYS 16 HA LYS 16 -14.338 -10.268 3.350
96 HB2 LYS 16 HB2 LYS 16 -15.020 -10.487 0.952
97 HB3 LYS 16 HB3 LYS 16 -13.831 -11.672 1.476
98 HG2 LYS 16 HG2 LYS 16 -15.145 -13.304 0.775
99 HG3 LYS 16 HG3 LYS 16 -16.402 -12.784 1.900
100 HD2 LYS 16 HD2 LYS 16 -16.128 -11.207 -0.585
101 HD3 LYS 16 HD3 LYS 16 -16.737 -12.854 -0.765
102 HE2 LYS 16 HE2 LYS 16 -18.419 -12.327 1.015
103 HE3 LYS 16 HE3 LYS 16 -17.880 -10.650 0.945
104 HZ1 LYS 16 HZ1 LYS 16 -18.628 -10.451 -1.267
105 HZ2 LYS 16 HZ2 LYS 16 -19.885 -11.207 -0.425
106 HZ3 LYS 16 HZ3 LYS 16 -18.874 -12.117 -1.430
107 H SER 17 H SER 17 -17.367 -12.042 3.398
108 HA SER 17 HA SER 17 -18.984 -9.758 2.758
109 HB2 SER 17 HB2 SER 17 -19.980 -11.792 2.150
110 HB3 SER 17 HB3 SER 17 -19.565 -12.562 3.681
111 HG SER 17 HG SER 17 -21.796 -11.233 3.017
112 H PHE 18 H PHE 18 -17.277 -10.604 5.462
113 HA PHE 18 HA PHE 18 -19.212 -9.503 7.358
114 HB2 PHE 18 HB2 PHE 18 -16.508 -10.787 7.800
115 HB3 PHE 18 HB3 PHE 18 -17.559 -10.196 9.083
116 HD1 PHE 18 HD2 PHE 18 -17.425 -12.608 6.265
117 HD2 PHE 18 HD1 PHE 18 -19.192 -11.573 9.996
118 HE1 PHE 18 HE2 PHE 18 -18.566 -14.787 6.325
119 HE2 PHE 18 HE1 PHE 18 -20.336 -13.751 10.062
120 HZ PHE 18 HZ PHE 18 -20.024 -15.361 8.225
121 H CYS 19 H CYS 19 -17.114 -8.247 5.264
122 HA CYS 19 HA CYS 19 -15.470 -6.522 6.737
123 HB2 CYS 19 HB2 CYS 19 -16.553 -6.520 3.948
124 HB3 CYS 19 HB3 CYS 19 -15.745 -5.075 4.548
125 H LYS 20 H LYS 20 -18.850 -6.374 5.963
126 HA LYS 20 HA LYS 20 -19.035 -3.608 6.908
127 HB2 LYS 20 HB2 LYS 20 -21.424 -3.801 6.160
128 HB3 LYS 20 HB3 LYS 20 -20.236 -3.986 4.877
129 HG2 LYS 20 HG2 LYS 20 -21.110 -5.939 4.329
130 HG3 LYS 20 HG3 LYS 20 -20.790 -6.557 5.951
131 HD2 LYS 20 HD2 LYS 20 -23.149 -4.789 5.577
132 HD3 LYS 20 HD3 LYS 20 -23.245 -6.435 4.948
133 HE2 LYS 20 HE2 LYS 20 -22.159 -6.765 7.464
134 HE3 LYS 20 HE3 LYS 20 -23.335 -5.472 7.693
135 HZ1 LYS 20 HZ1 LYS 20 -24.609 -7.342 6.138
136 HZ2 LYS 20 HZ2 LYS 20 -24.867 -7.055 7.784
137 HZ3 LYS 20 HZ3 LYS 20 -23.778 -8.253 7.296
138 H ASP 21 H ASP 21 -18.587 -6.147 8.545
139 HA ASP 21 HA ASP 21 -20.964 -6.382 10.153
140 HB2 ASP 21 HB2 ASP 21 -19.188 -8.199 9.712
141 HB3 ASP 21 HB3 ASP 21 -18.232 -7.374 10.940
142 H SER 22 H SER 22 -21.491 -5.241 11.902
143 HA SER 22 HA SER 22 -19.799 -3.057 12.724
144 HB2 SER 22 HB2 SER 22 -21.727 -2.623 14.339
145 HB3 SER 22 HB3 SER 22 -22.118 -2.547 12.621
146 HG SER 22 HG SER 22 -23.657 -3.772 13.771
147 H GLY 23 H GLY 23 -18.276 -5.095 13.294
148 HA2 GLY 23 HA2 GLY 23 -18.216 -5.109 16.201
149 HA3 GLY 23 HA3 GLY 23 -18.404 -6.682 15.442
150 H ARG 24 H ARG 24 -16.295 -6.667 16.890
151 HA ARG 24 HA ARG 24 -13.939 -5.488 16.063
152 HB2 ARG 24 HB2 ARG 24 -14.177 -8.308 17.120
153 HB3 ARG 24 HB3 ARG 24 -12.779 -7.247 17.233
154 HG2 ARG 24 HG2 ARG 24 -14.859 -5.822 18.415
155 HG3 ARG 24 HG3 ARG 24 -15.052 -7.482 18.981
156 HD2 ARG 24 HD2 ARG 24 -12.435 -7.278 19.326
157 HD3 ARG 24 HD3 ARG 24 -12.827 -5.562 19.426
158 HE ARG 24 HE ARG 24 -14.567 -7.021 21.089
159 HH11 ARG 24 HH11 ARG 24 -11.238 -6.027 20.872
160 HH12 ARG 24 HH12 ARG 24 -10.992 -6.020 22.587
161 HH21 ARG 24 HH21 ARG 24 -14.256 -7.015 23.349
162 HH22 ARG 24 HH22 ARG 24 -12.709 -6.583 23.995
163 H ASN 25 H ASN 25 -15.474 -8.442 14.873
164 HA ASN 25 HA ASN 25 -13.422 -9.340 13.207
165 HB2 ASN 25 HB2 ASN 25 -16.367 -9.741 13.341
166 HB3 ASN 25 HB3 ASN 25 -15.560 -10.201 11.844
167 HD21 ASN 25 HD21 ASN 25 -16.764 -12.144 13.184
168 HD22 ASN 25 HD22 ASN 25 -15.621 -13.166 13.980
169 H GLY 26 H GLY 26 -16.014 -7.009 12.614
170 HA2 GLY 26 HA2 GLY 26 -15.483 -6.665 9.846
171 HA3 GLY 26 HA3 GLY 26 -16.393 -5.562 10.868
172 H VAL 27 H VAL 27 -14.532 -4.761 12.698
173 HA VAL 27 HA VAL 27 -13.152 -2.746 11.347
174 HB VAL 27 HB VAL 27 -12.492 -3.859 14.077
175 HG11 VAL 27 HG11 VAL 27 -10.770 -2.428 13.822
176 HG12 VAL 27 HG12 VAL 27 -11.567 -1.531 12.528
177 HG13 VAL 27 HG13 VAL 27 -11.987 -1.212 14.211
178 HG21 VAL 27 HG21 VAL 27 -13.963 -1.499 14.332
179 HG22 VAL 27 HG22 VAL 27 -14.812 -2.446 13.111
180 HG23 VAL 27 HG23 VAL 27 -14.502 -3.137 14.704
181 H LYS 28 H LYS 28 -11.956 -5.812 12.686
182 HA LYS 28 HA LYS 28 -9.257 -5.436 11.963
183 HB2 LYS 28 HB2 LYS 28 -10.844 -7.960 12.452
184 HB3 LYS 28 HB3 LYS 28 -9.101 -7.928 12.227
185 HG2 LYS 28 HG2 LYS 28 -10.554 -6.444 14.404
186 HG3 LYS 28 HG3 LYS 28 -9.814 -8.034 14.598
187 HD2 LYS 28 HD2 LYS 28 -7.749 -6.652 13.532
188 HD3 LYS 28 HD3 LYS 28 -8.569 -5.369 14.424
189 HE2 LYS 28 HE2 LYS 28 -8.131 -7.970 15.794
190 HE3 LYS 28 HE3 LYS 28 -6.738 -6.917 15.553
191 HZ1 LYS 28 HZ1 LYS 28 -9.037 -6.580 17.293
192 HZ2 LYS 28 HZ2 LYS 28 -8.513 -5.180 16.502
193 HZ3 LYS 28 HZ3 LYS 28 -7.443 -6.045 17.486
194 H LEU 29 H LEU 29 -12.039 -6.521 10.186
195 HA LEU 29 HA LEU 29 -10.632 -7.771 8.050
196 HB2 LEU 29 HB2 LEU 29 -13.423 -6.815 8.489
197 HB3 LEU 29 HB3 LEU 29 -12.902 -7.225 6.856
198 HG LEU 29 HG LEU 29 -12.710 -9.144 9.168
199 HD11 LEU 29 HD11 LEU 29 -14.775 -10.111 8.505
200 HD12 LEU 29 HD12 LEU 29 -14.896 -9.050 7.102
201 HD13 LEU 29 HD13 LEU 29 -15.060 -8.385 8.727
202 HD21 LEU 29 HD21 LEU 29 -12.838 -9.729 6.224
203 HD22 LEU 29 HD22 LEU 29 -12.339 -10.796 7.536
204 HD23 LEU 29 HD23 LEU 29 -11.314 -9.439 7.063
205 H ARG 30 H ARG 30 -12.079 -4.554 8.467
206 HA ARG 30 HA ARG 30 -11.324 -3.603 5.900
207 HB2 ARG 30 HB2 ARG 30 -12.052 -2.110 8.426
208 HB3 ARG 30 HB3 ARG 30 -11.848 -1.358 6.849
209 HG2 ARG 30 HG2 ARG 30 -13.635 -3.319 6.271
210 HG3 ARG 30 HG3 ARG 30 -14.088 -2.905 7.926
211 HD2 ARG 30 HD2 ARG 30 -13.576 -0.532 6.367
212 HD3 ARG 30 HD3 ARG 30 -14.787 -1.549 5.587
213 HE ARG 30 HE ARG 30 -15.236 -1.127 8.400
214 HH11 ARG 30 HH11 ARG 30 -15.787 0.085 5.183
215 HH12 ARG 30 HH12 ARG 30 -17.202 0.982 5.623
216 HH21 ARG 30 HH21 ARG 30 -17.099 0.050 8.991
217 HH22 ARG 30 HH22 ARG 30 -17.947 0.962 7.789
218 H ALA 31 H ALA 31 -9.575 -4.145 8.754
219 HA ALA 31 HA ALA 31 -7.518 -2.172 8.117
220 HB1 ALA 31 HB1 ALA 31 -7.662 -4.112 10.422
221 HB2 ALA 31 HB2 ALA 31 -6.510 -2.790 10.233
222 HB3 ALA 31 HB3 ALA 31 -8.224 -2.440 10.457
223 H ASN 32 H ASN 32 -7.710 -5.684 8.720
224 HA ASN 32 HA ASN 32 -5.089 -6.137 7.635
225 HB2 ASN 32 HB2 ASN 32 -7.271 -8.099 8.378
226 HB3 ASN 32 HB3 ASN 32 -5.608 -8.526 7.984
227 HD21 ASN 32 HD21 ASN 32 -7.625 -8.232 10.459
228 HD22 ASN 32 HD22 ASN 32 -6.534 -7.766 11.715
229 H CYS 33 H CYS 33 -8.139 -5.680 6.297
230 HA CYS 33 HA CYS 33 -7.188 -6.660 3.710
231 HB2 CYS 33 HB2 CYS 33 -10.029 -7.191 4.537
232 HB3 CYS 33 HB3 CYS 33 -9.109 -7.918 3.224
233 H LYS 34 H LYS 34 -6.950 -4.150 4.000
234 HA LYS 34 HA LYS 34 -9.186 -2.474 3.811
235 HB2 LYS 34 HB2 LYS 34 -6.502 -1.949 2.533
236 HB3 LYS 34 HB3 LYS 34 -7.672 -0.762 3.096
237 HG2 LYS 34 HG2 LYS 34 -7.169 -2.215 5.362
238 HG3 LYS 34 HG3 LYS 34 -5.597 -2.190 4.559
239 HD2 LYS 34 HD2 LYS 34 -5.322 0.023 4.891
240 HD3 LYS 34 HD3 LYS 34 -7.025 0.382 4.593
241 HE2 LYS 34 HE2 LYS 34 -6.625 0.910 6.863
242 HE3 LYS 34 HE3 LYS 34 -7.505 -0.618 6.861
243 HZ1 LYS 34 HZ1 LYS 34 -5.604 -0.569 8.413
244 HZ2 LYS 34 HZ2 LYS 34 -4.555 -0.392 7.098
245 HZ3 LYS 34 HZ3 LYS 34 -5.480 -1.799 7.257
246 H LYS 35 H LYS 35 -7.804 -4.612 1.530
247 HA LYS 35 HA LYS 35 -8.964 -3.256 -0.768
248 HB2 LYS 35 HB2 LYS 35 -6.709 -4.484 -0.758
249 HB3 LYS 35 HB3 LYS 35 -7.653 -5.967 -0.779
250 HG2 LYS 35 HG2 LYS 35 -7.053 -5.498 -3.016
251 HG3 LYS 35 HG3 LYS 35 -8.769 -5.114 -2.858
252 HD2 LYS 35 HD2 LYS 35 -7.371 -2.764 -2.205
253 HD3 LYS 35 HD3 LYS 35 -6.592 -3.417 -3.648
254 HE2 LYS 35 HE2 LYS 35 -9.575 -3.222 -3.477
255 HE3 LYS 35 HE3 LYS 35 -8.609 -1.812 -3.911
256 HZ1 LYS 35 HZ1 LYS 35 -7.800 -4.088 -5.400
257 HZ2 LYS 35 HZ2 LYS 35 -8.355 -2.590 -5.956
258 HZ3 LYS 35 HZ3 LYS 35 -9.459 -3.820 -5.594
259 H THR 36 H THR 36 -9.220 -6.481 0.734
260 HA THR 36 HA THR 36 -11.324 -7.480 -0.740
261 HB THR 36 HB THR 36 -10.799 -7.931 2.204
262 HG1 THR 36 HG1 THR 36 -10.000 -9.467 -0.062
263 HG21 THR 36 HG21 THR 36 -13.056 -8.639 1.519
264 HG22 THR 36 HG22 THR 36 -12.029 -10.016 1.922
265 HG23 THR 36 HG23 THR 36 -12.348 -9.617 0.234
266 H CYS 37 H CYS 37 -11.367 -5.072 1.765
267 HA CYS 37 HA CYS 37 -14.281 -5.151 1.947
268 HB2 CYS 37 HB2 CYS 37 -12.259 -3.461 3.434
269 HB3 CYS 37 HB3 CYS 37 -13.993 -3.472 3.737
270 H GLY 38 H GLY 38 -11.710 -3.303 0.527
271 HA2 GLY 38 HA2 GLY 38 -11.890 -1.752 -1.198
272 HA3 GLY 38 HA3 GLY 38 -13.635 -1.759 -0.986
273 H LEU 39 H LEU 39 -10.606 -0.458 0.239
274 HA LEU 39 HA LEU 39 -12.123 1.814 1.334
275 HB2 LEU 39 HB2 LEU 39 -9.741 0.425 2.545
276 HB3 LEU 39 HB3 LEU 39 -10.345 1.990 3.087
277 HG LEU 39 HG LEU 39 -12.270 -0.267 3.050
278 HD11 LEU 39 HD11 LEU 39 -10.867 -0.211 5.558
279 HD12 LEU 39 HD12 LEU 39 -9.768 -0.623 4.242
280 HD13 LEU 39 HD13 LEU 39 -11.227 -1.578 4.503
281 HD21 LEU 39 HD21 LEU 39 -13.192 0.860 4.914
282 HD22 LEU 39 HD22 LEU 39 -12.765 2.110 3.745
283 HD23 LEU 39 HD23 LEU 39 -11.733 1.823 5.147
284 H CYS 40 H CYS 40 -10.028 0.853 -0.966
285 HA CYS 40 HA CYS 40 -8.021 2.862 -0.863
286 HB2 CYS 40 HB2 CYS 40 -8.985 1.439 -3.344
287 HB3 CYS 40 HB3 CYS 40 -7.393 2.129 -3.047
Start of MODEL 6
1 H1 ALA 1 H ALA 1 1.192 5.605 2.551
2 HA ALA 1 HA ALA 1 0.087 3.359 4.110
3 HB1 ALA 1 HB1 ALA 1 -1.163 6.083 3.817
4 HB2 ALA 1 HB2 ALA 1 -1.654 4.781 4.902
5 HB3 ALA 1 HB3 ALA 1 -0.125 5.619 5.166
6 H ALA 2 H ALA 2 0.322 2.483 1.758
7 HA ALA 2 HA ALA 2 -1.672 3.331 -0.122
8 HB1 ALA 2 HB1 ALA 2 -0.383 0.661 -0.344
9 HB2 ALA 2 HB2 ALA 2 -0.721 1.863 -1.590
10 HB3 ALA 2 HB3 ALA 2 0.633 2.097 -0.484
11 H CYS 3 H CYS 3 -3.149 1.561 -1.082
12 HA CYS 3 HA CYS 3 -4.576 0.296 1.159
13 HB2 CYS 3 HB2 CYS 3 -5.963 1.923 0.083
14 HB3 CYS 3 HB3 CYS 3 -5.550 1.309 -1.514
15 H SER 4 H SER 4 -4.573 -1.843 1.278
16 HA SER 4 HA SER 4 -4.938 -3.586 -0.891
17 HB2 SER 4 HB2 SER 4 -2.121 -2.943 -0.178
18 HB3 SER 4 HB3 SER 4 -2.504 -4.634 -0.501
19 HG SER 4 HG SER 4 -2.079 -3.878 -2.472
20 H ASP 5 H ASP 5 -3.979 -5.920 -0.134
21 HA ASP 5 HA ASP 5 -5.207 -6.329 2.479
22 HB2 ASP 5 HB2 ASP 5 -4.190 -8.489 0.640
23 HB3 ASP 5 HB3 ASP 5 -5.428 -8.609 1.887
24 H ARG 6 H ARG 6 -4.124 -6.859 4.277
25 HA ARG 6 HA ARG 6 -1.243 -7.425 4.022
26 HB2 ARG 6 HB2 ARG 6 -1.333 -6.475 6.502
27 HB3 ARG 6 HB3 ARG 6 -1.158 -5.416 5.109
28 HG2 ARG 6 HG2 ARG 6 -3.887 -6.061 6.120
29 HG3 ARG 6 HG3 ARG 6 -2.895 -4.875 6.973
30 HD2 ARG 6 HD2 ARG 6 -3.094 -4.616 4.027
31 HD3 ARG 6 HD3 ARG 6 -4.531 -4.220 4.969
32 HE ARG 6 HE ARG 6 -3.368 -2.435 5.955
33 HH11 ARG 6 HH11 ARG 6 -1.421 -4.180 3.657
34 HH12 ARG 6 HH12 ARG 6 -0.232 -2.928 3.517
35 HH21 ARG 6 HH21 ARG 6 -1.809 -0.780 5.780
36 HH22 ARG 6 HH22 ARG 6 -0.452 -0.995 4.726
37 H ALA 7 H ALA 7 -4.274 -8.362 5.386
38 HA ALA 7 HA ALA 7 -3.522 -9.964 7.516
39 HB1 ALA 7 HB1 ALA 7 -5.873 -9.369 6.428
40 HB2 ALA 7 HB2 ALA 7 -5.671 -10.984 5.748
41 HB3 ALA 7 HB3 ALA 7 -5.652 -10.755 7.497
42 H HIS 8 H HIS 8 -3.870 -12.475 7.418
43 HA HIS 8 HA HIS 8 -1.655 -13.598 6.170
44 HB2 HIS 8 HB2 HIS 8 -4.086 -14.670 7.505
45 HB3 HIS 8 HB3 HIS 8 -3.154 -15.790 6.515
46 HD1 HIS 8 HD1 HIS 8 -1.247 -13.170 8.308
47 HD2 HIS 8 HD2 HIS 8 -2.390 -17.119 8.911
48 HE1 HIS 8 HE1 HIS 8 0.165 -13.995 10.219
49 H GLY 9 H GLY 9 -4.815 -12.956 4.928
50 HA2 GLY 9 HA2 GLY 9 -4.926 -12.822 2.467
51 HA3 GLY 9 HA3 GLY 9 -4.073 -14.358 2.434
52 H HIS 10 H HIS 10 -5.300 -16.058 3.925
53 HA HIS 10 HA HIS 10 -7.818 -16.477 2.635
54 HB2 HIS 10 HB2 HIS 10 -6.034 -18.208 3.496
55 HB3 HIS 10 HB3 HIS 10 -6.939 -18.088 5.001
56 HD1 HIS 10 HD1 HIS 10 -7.244 -19.288 1.464
57 HD2 HIS 10 HD2 HIS 10 -9.441 -19.313 4.990
58 HE1 HIS 10 HE1 HIS 10 -9.140 -20.891 1.063
59 H ILE 11 H ILE 11 -6.936 -14.654 5.272
60 HA ILE 11 HA ILE 11 -9.223 -15.153 6.941
61 HB ILE 11 HB ILE 11 -7.225 -12.889 6.986
62 HG12 ILE 11 HG12 ILE 11 -6.795 -15.521 7.588
63 HG13 ILE 11 HG13 ILE 11 -5.896 -14.176 8.282
64 HG21 ILE 11 HG21 ILE 11 -9.215 -12.117 8.036
65 HG22 ILE 11 HG22 ILE 11 -9.422 -13.638 8.902
66 HG23 ILE 11 HG23 ILE 11 -8.090 -12.561 9.320
67 HD11 ILE 11 HD11 ILE 11 -7.206 -14.204 10.250
68 HD12 ILE 11 HD12 ILE 11 -8.378 -15.311 9.533
69 HD13 ILE 11 HD13 ILE 11 -6.750 -15.873 9.912
70 H CYS 12 H CYS 12 -8.270 -12.700 4.581
71 HA CYS 12 HA CYS 12 -10.462 -10.972 4.964
72 HB2 CYS 12 HB2 CYS 12 -8.979 -11.377 2.366
73 HB3 CYS 12 HB3 CYS 12 -9.807 -9.924 2.917
74 H GLU 13 H GLU 13 -9.946 -13.670 2.722
75 HA GLU 13 HA GLU 13 -12.487 -13.390 1.450
76 HB2 GLU 13 HB2 GLU 13 -10.251 -15.345 1.372
77 HB3 GLU 13 HB3 GLU 13 -11.829 -15.914 0.845
78 HG2 GLU 13 HG2 GLU 13 -11.482 -13.447 -0.407
79 HG3 GLU 13 HG3 GLU 13 -9.924 -14.261 -0.530
80 H SER 14 H SER 14 -11.205 -15.464 4.013
81 HA SER 14 HA SER 14 -13.382 -17.164 4.338
82 HB2 SER 14 HB2 SER 14 -11.239 -16.178 6.193
83 HB3 SER 14 HB3 SER 14 -12.550 -17.177 6.820
84 HG SER 14 HG SER 14 -11.956 -18.647 5.016
85 H PHE 15 H PHE 15 -12.900 -13.873 5.406
86 HA PHE 15 HA PHE 15 -15.676 -13.836 6.366
87 HB2 PHE 15 HB2 PHE 15 -13.333 -12.504 7.740
88 HB3 PHE 15 HB3 PHE 15 -15.021 -12.346 8.214
89 HD1 PHE 15 HD2 PHE 15 -16.258 -14.455 8.921
90 HD2 PHE 15 HD1 PHE 15 -12.022 -14.238 8.565
91 HE1 PHE 15 HE2 PHE 15 -16.039 -16.438 10.361
92 HE2 PHE 15 HE1 PHE 15 -11.796 -16.221 10.004
93 HZ PHE 15 HZ PHE 15 -13.806 -17.323 10.905
94 H LYS 16 H LYS 16 -14.890 -13.086 3.823
95 HA LYS 16 HA LYS 16 -14.347 -10.301 3.615
96 HB2 LYS 16 HB2 LYS 16 -15.063 -10.623 1.225
97 HB3 LYS 16 HB3 LYS 16 -13.772 -11.690 1.761
98 HG2 LYS 16 HG2 LYS 16 -14.963 -13.489 1.264
99 HG3 LYS 16 HG3 LYS 16 -16.338 -12.910 2.208
100 HD2 LYS 16 HD2 LYS 16 -15.872 -11.609 -0.411
101 HD3 LYS 16 HD3 LYS 16 -16.438 -13.281 -0.443
102 HE2 LYS 16 HE2 LYS 16 -18.241 -12.531 1.189
103 HE3 LYS 16 HE3 LYS 16 -17.766 -10.881 0.790
104 HZ1 LYS 16 HZ1 LYS 16 -19.665 -12.042 -0.517
105 HZ2 LYS 16 HZ2 LYS 16 -18.400 -12.760 -1.379
106 HZ3 LYS 16 HZ3 LYS 16 -18.548 -11.075 -1.342
107 H SER 17 H SER 17 -17.267 -12.226 3.793
108 HA SER 17 HA SER 17 -19.038 -10.107 3.043
109 HB2 SER 17 HB2 SER 17 -19.459 -12.659 2.942
110 HB3 SER 17 HB3 SER 17 -19.856 -12.516 4.654
111 HG SER 17 HG SER 17 -21.722 -11.771 4.078
112 H PHE 18 H PHE 18 -17.252 -10.722 5.806
113 HA PHE 18 HA PHE 18 -19.165 -9.412 7.594
114 HB2 PHE 18 HB2 PHE 18 -16.496 -10.700 8.209
115 HB3 PHE 18 HB3 PHE 18 -17.622 -10.054 9.398
116 HD1 PHE 18 HD1 PHE 18 -17.225 -12.651 6.791
117 HD2 PHE 18 HD2 PHE 18 -19.378 -11.359 10.228
118 HE1 PHE 18 HE1 PHE 18 -18.349 -14.837 6.904
119 HE2 PHE 18 HE2 PHE 18 -20.504 -13.543 10.347
120 HZ PHE 18 HZ PHE 18 -19.990 -15.285 8.685
121 H CYS 19 H CYS 19 -17.218 -8.299 5.389
122 HA CYS 19 HA CYS 19 -15.412 -6.575 6.695
123 HB2 CYS 19 HB2 CYS 19 -16.570 -6.778 3.962
124 HB3 CYS 19 HB3 CYS 19 -15.834 -5.244 4.414
125 H LYS 20 H LYS 20 -18.818 -6.382 6.106
126 HA LYS 20 HA LYS 20 -18.860 -3.573 6.970
127 HB2 LYS 20 HB2 LYS 20 -21.243 -3.630 6.186
128 HB3 LYS 20 HB3 LYS 20 -20.049 -3.883 4.919
129 HG2 LYS 20 HG2 LYS 20 -21.028 -5.781 4.357
130 HG3 LYS 20 HG3 LYS 20 -20.762 -6.418 5.981
131 HD2 LYS 20 HD2 LYS 20 -22.987 -4.509 5.730
132 HD3 LYS 20 HD3 LYS 20 -23.204 -6.034 4.869
133 HE2 LYS 20 HE2 LYS 20 -22.237 -6.890 7.266
134 HE3 LYS 20 HE3 LYS 20 -23.168 -5.473 7.750
135 HZ1 LYS 20 HZ1 LYS 20 -24.635 -7.014 5.888
136 HZ2 LYS 20 HZ2 LYS 20 -25.038 -6.601 7.477
137 HZ3 LYS 20 HZ3 LYS 20 -24.136 -7.998 7.170
138 H ASP 21 H ASP 21 -18.578 -6.138 8.605
139 HA ASP 21 HA ASP 21 -20.983 -6.275 10.169
140 HB2 ASP 21 HB2 ASP 21 -19.723 -8.285 10.037
141 HB3 ASP 21 HB3 ASP 21 -18.231 -7.465 10.492
142 H SER 22 H SER 22 -21.497 -5.182 11.965
143 HA SER 22 HA SER 22 -19.813 -2.986 12.773
144 HB2 SER 22 HB2 SER 22 -22.365 -2.936 12.596
145 HB3 SER 22 HB3 SER 22 -22.380 -3.843 14.108
146 HG SER 22 HG SER 22 -22.518 -1.598 14.480
147 H GLY 23 H GLY 23 -18.266 -5.014 13.318
148 HA2 GLY 23 HA2 GLY 23 -18.200 -5.058 16.230
149 HA3 GLY 23 HA3 GLY 23 -18.326 -6.622 15.437
150 H ARG 24 H ARG 24 -16.216 -6.453 16.944
151 HA ARG 24 HA ARG 24 -13.914 -5.198 16.066
152 HB2 ARG 24 HB2 ARG 24 -12.683 -6.788 17.355
153 HB3 ARG 24 HB3 ARG 24 -14.200 -6.498 18.197
154 HG2 ARG 24 HG2 ARG 24 -14.951 -8.609 16.777
155 HG3 ARG 24 HG3 ARG 24 -13.218 -8.936 16.835
156 HD2 ARG 24 HD2 ARG 24 -13.592 -8.348 19.400
157 HD3 ARG 24 HD3 ARG 24 -15.226 -8.893 19.020
158 HE ARG 24 HE ARG 24 -13.268 -10.732 18.085
159 HH11 ARG 24 HH11 ARG 24 -14.940 -9.661 20.944
160 HH12 ARG 24 HH12 ARG 24 -14.779 -11.178 21.765
161 HH21 ARG 24 HH21 ARG 24 -13.049 -12.735 19.155
162 HH22 ARG 24 HH22 ARG 24 -13.703 -12.925 20.747
163 H ASN 25 H ASN 25 -15.456 -8.109 14.872
164 HA ASN 25 HA ASN 25 -13.315 -9.055 13.291
165 HB2 ASN 25 HB2 ASN 25 -16.243 -9.561 13.446
166 HB3 ASN 25 HB3 ASN 25 -15.421 -10.042 11.965
167 HD21 ASN 25 HD21 ASN 25 -16.376 -11.079 14.912
168 HD22 ASN 25 HD22 ASN 25 -15.261 -12.379 15.145
169 H GLY 26 H GLY 26 -15.978 -6.827 12.635
170 HA2 GLY 26 HA2 GLY 26 -15.480 -6.567 9.851
171 HA3 GLY 26 HA3 GLY 26 -16.414 -5.456 10.841
172 H VAL 27 H VAL 27 -14.574 -4.526 12.622
173 HA VAL 27 HA VAL 27 -13.257 -2.528 11.185
174 HB VAL 27 HB VAL 27 -12.583 -3.512 13.961
175 HG11 VAL 27 HG11 VAL 27 -11.796 -1.169 14.278
176 HG12 VAL 27 HG12 VAL 27 -10.835 -2.099 13.127
177 HG13 VAL 27 HG13 VAL 27 -12.005 -0.914 12.545
178 HG21 VAL 27 HG21 VAL 27 -14.915 -2.189 12.927
179 HG22 VAL 27 HG22 VAL 27 -14.589 -2.765 14.562
180 HG23 VAL 27 HG23 VAL 27 -14.080 -1.147 14.079
181 H LYS 28 H LYS 28 -11.968 -5.500 12.646
182 HA LYS 28 HA LYS 28 -9.283 -5.075 11.901
183 HB2 LYS 28 HB2 LYS 28 -10.796 -7.622 12.495
184 HB3 LYS 28 HB3 LYS 28 -9.054 -7.550 12.264
185 HG2 LYS 28 HG2 LYS 28 -10.553 -6.029 14.386
186 HG3 LYS 28 HG3 LYS 28 -9.752 -7.581 14.638
187 HD2 LYS 28 HD2 LYS 28 -7.621 -6.519 13.885
188 HD3 LYS 28 HD3 LYS 28 -8.465 -4.969 13.851
189 HE2 LYS 28 HE2 LYS 28 -9.100 -5.827 16.334
190 HE3 LYS 28 HE3 LYS 28 -7.511 -6.565 16.137
191 HZ1 LYS 28 HZ1 LYS 28 -7.948 -3.710 15.528
192 HZ2 LYS 28 HZ2 LYS 28 -6.500 -4.506 15.889
193 HZ3 LYS 28 HZ3 LYS 28 -7.637 -4.224 17.110
194 H LEU 29 H LEU 29 -12.034 -6.314 10.176
195 HA LEU 29 HA LEU 29 -10.595 -7.608 8.090
196 HB2 LEU 29 HB2 LEU 29 -13.411 -6.718 8.499
197 HB3 LEU 29 HB3 LEU 29 -12.883 -7.170 6.880
198 HG LEU 29 HG LEU 29 -12.615 -9.003 9.253
199 HD11 LEU 29 HD11 LEU 29 -14.984 -8.364 8.884
200 HD12 LEU 29 HD12 LEU 29 -14.658 -10.072 8.592
201 HD13 LEU 29 HD13 LEU 29 -14.849 -8.966 7.232
202 HD21 LEU 29 HD21 LEU 29 -12.786 -9.702 6.337
203 HD22 LEU 29 HD22 LEU 29 -12.210 -10.694 7.678
204 HD23 LEU 29 HD23 LEU 29 -11.252 -9.320 7.121
205 H ARG 30 H ARG 30 -12.148 -4.423 8.366
206 HA ARG 30 HA ARG 30 -11.412 -3.558 5.765
207 HB2 ARG 30 HB2 ARG 30 -12.191 -1.978 8.222
208 HB3 ARG 30 HB3 ARG 30 -12.015 -1.295 6.612
209 HG2 ARG 30 HG2 ARG 30 -13.735 -3.335 6.128
210 HG3 ARG 30 HG3 ARG 30 -14.198 -2.870 7.766
211 HD2 ARG 30 HD2 ARG 30 -13.774 -0.548 6.105
212 HD3 ARG 30 HD3 ARG 30 -14.954 -1.638 5.378
213 HE ARG 30 HE ARG 30 -15.408 -1.120 8.172
214 HH11 ARG 30 HH11 ARG 30 -15.995 -0.033 4.917
215 HH12 ARG 30 HH12 ARG 30 -17.433 0.841 5.329
216 HH21 ARG 30 HH21 ARG 30 -17.299 0.027 8.727
217 HH22 ARG 30 HH22 ARG 30 -18.173 0.876 7.497
218 H ALA 31 H ALA 31 -9.655 -3.924 8.642
219 HA ALA 31 HA ALA 31 -7.663 -1.911 7.932
220 HB1 ALA 31 HB1 ALA 31 -6.641 -2.408 10.070
221 HB2 ALA 31 HB2 ALA 31 -8.369 -2.119 10.281
222 HB3 ALA 31 HB3 ALA 31 -7.741 -3.767 10.308
223 H ASN 32 H ASN 32 -7.751 -5.405 8.651
224 HA ASN 32 HA ASN 32 -5.109 -5.812 7.596
225 HB2 ASN 32 HB2 ASN 32 -7.233 -7.813 8.400
226 HB3 ASN 32 HB3 ASN 32 -5.557 -8.203 8.025
227 HD21 ASN 32 HD21 ASN 32 -7.592 -7.879 10.483
228 HD22 ASN 32 HD22 ASN 32 -6.519 -7.339 11.725
229 H CYS 33 H CYS 33 -8.156 -5.480 6.225
230 HA CYS 33 HA CYS 33 -7.166 -6.525 3.680
231 HB2 CYS 33 HB2 CYS 33 -9.988 -7.121 4.542
232 HB3 CYS 33 HB3 CYS 33 -9.069 -7.838 3.222
233 H LYS 34 H LYS 34 -7.011 -3.997 3.896
234 HA LYS 34 HA LYS 34 -9.297 -2.402 3.635
235 HB2 LYS 34 HB2 LYS 34 -6.622 -1.831 2.359
236 HB3 LYS 34 HB3 LYS 34 -7.833 -0.665 2.877
237 HG2 LYS 34 HG2 LYS 34 -7.297 -2.035 5.190
238 HG3 LYS 34 HG3 LYS 34 -5.721 -1.972 4.396
239 HD2 LYS 34 HD2 LYS 34 -5.535 0.259 4.667
240 HD3 LYS 34 HD3 LYS 34 -7.247 0.543 4.347
241 HE2 LYS 34 HE2 LYS 34 -6.865 1.151 6.607
242 HE3 LYS 34 HE3 LYS 34 -7.718 -0.391 6.635
243 HZ1 LYS 34 HZ1 LYS 34 -4.887 0.164 7.243
244 HZ2 LYS 34 HZ2 LYS 34 -5.371 -1.386 6.770
245 HZ3 LYS 34 HZ3 LYS 34 -6.026 -0.684 8.162
246 H LYS 35 H LYS 35 -7.821 -4.561 1.431
247 HA LYS 35 HA LYS 35 -9.010 -3.319 -0.916
248 HB2 LYS 35 HB2 LYS 35 -6.716 -4.465 -0.856
249 HB3 LYS 35 HB3 LYS 35 -7.606 -5.982 -0.826
250 HG2 LYS 35 HG2 LYS 35 -7.013 -5.574 -3.077
251 HG3 LYS 35 HG3 LYS 35 -8.741 -5.246 -2.939
252 HD2 LYS 35 HD2 LYS 35 -7.420 -2.827 -2.368
253 HD3 LYS 35 HD3 LYS 35 -6.627 -3.506 -3.792
254 HE2 LYS 35 HE2 LYS 35 -9.238 -3.924 -4.397
255 HE3 LYS 35 HE3 LYS 35 -9.345 -2.432 -3.464
256 HZ1 LYS 35 HZ1 LYS 35 -7.997 -1.308 -4.967
257 HZ2 LYS 35 HZ2 LYS 35 -8.988 -2.248 -5.964
258 HZ3 LYS 35 HZ3 LYS 35 -7.394 -2.728 -5.662
259 H THR 36 H THR 36 -9.160 -6.516 0.661
260 HA THR 36 HA THR 36 -11.227 -7.616 -0.791
261 HB THR 36 HB THR 36 -10.736 -7.991 2.170
262 HG1 THR 36 HG1 THR 36 -8.880 -8.535 1.066
263 HG21 THR 36 HG21 THR 36 -12.927 -8.837 1.356
264 HG22 THR 36 HG22 THR 36 -11.852 -10.118 1.918
265 HG23 THR 36 HG23 THR 36 -12.067 -9.841 0.190
266 H CYS 37 H CYS 37 -11.357 -5.174 1.685
267 HA CYS 37 HA CYS 37 -14.263 -5.348 1.877
268 HB2 CYS 37 HB2 CYS 37 -12.266 -3.575 3.298
269 HB3 CYS 37 HB3 CYS 37 -14.003 -3.555 3.587
270 H GLY 38 H GLY 38 -11.773 -3.425 0.398
271 HA2 GLY 38 HA2 GLY 38 -12.033 -1.949 -1.386
272 HA3 GLY 38 HA3 GLY 38 -13.774 -2.017 -1.155
273 H LEU 39 H LEU 39 -10.787 -0.560 -0.006
274 HA LEU 39 HA LEU 39 -12.379 1.691 1.021
275 HB2 LEU 39 HB2 LEU 39 -9.953 0.426 2.280
276 HB3 LEU 39 HB3 LEU 39 -10.615 1.985 2.770
277 HG LEU 39 HG LEU 39 -12.451 -0.346 2.804
278 HD11 LEU 39 HD11 LEU 39 -9.947 -0.562 4.015
279 HD12 LEU 39 HD12 LEU 39 -11.371 -1.556 4.317
280 HD13 LEU 39 HD13 LEU 39 -11.061 -0.135 5.314
281 HD21 LEU 39 HD21 LEU 39 -12.070 2.237 4.227
282 HD22 LEU 39 HD22 LEU 39 -12.885 0.924 5.078
283 HD23 LEU 39 HD23 LEU 39 -13.533 1.522 3.550
284 H CYS 40 H CYS 40 -10.264 0.728 -1.253
285 HA CYS 40 HA CYS 40 -8.313 2.794 -1.216
286 HB2 CYS 40 HB2 CYS 40 -9.250 1.275 -3.651
287 HB3 CYS 40 HB3 CYS 40 -7.677 2.019 -3.384
Start of MODEL 7
1 H1 ALA 1 H ALA 1 -2.376 7.037 3.175
2 HA ALA 1 HA ALA 1 -0.382 5.076 3.378
3 HB1 ALA 1 HB1 ALA 1 -2.123 5.724 5.107
4 HB2 ALA 1 HB2 ALA 1 -3.235 4.670 4.232
5 HB3 ALA 1 HB3 ALA 1 -1.768 4.003 4.950
6 H ALA 2 H ALA 2 -0.005 3.234 2.314
7 HA ALA 2 HA ALA 2 -1.274 2.619 -0.102
8 HB1 ALA 2 HB1 ALA 2 1.038 1.864 1.016
9 HB2 ALA 2 HB2 ALA 2 0.085 0.411 1.317
10 HB3 ALA 2 HB3 ALA 2 0.293 1.002 -0.331
11 H CYS 3 H CYS 3 -3.093 1.574 -0.573
12 HA CYS 3 HA CYS 3 -4.490 0.165 1.591
13 HB2 CYS 3 HB2 CYS 3 -5.837 1.902 0.665
14 HB3 CYS 3 HB3 CYS 3 -5.460 1.408 -0.982
15 H SER 4 H SER 4 -4.569 -1.975 1.579
16 HA SER 4 HA SER 4 -5.067 -3.565 -0.678
17 HB2 SER 4 HB2 SER 4 -2.206 -3.076 -0.022
18 HB3 SER 4 HB3 SER 4 -2.667 -4.728 -0.432
19 HG SER 4 HG SER 4 -2.287 -3.885 -2.371
20 H ASP 5 H ASP 5 -4.181 -5.977 -0.096
21 HA ASP 5 HA ASP 5 -5.342 -6.498 2.527
22 HB2 ASP 5 HB2 ASP 5 -4.475 -8.587 0.539
23 HB3 ASP 5 HB3 ASP 5 -5.693 -8.718 1.805
24 H ARG 6 H ARG 6 -4.204 -7.100 4.257
25 HA ARG 6 HA ARG 6 -1.370 -7.807 3.865
26 HB2 ARG 6 HB2 ARG 6 -1.285 -6.967 6.366
27 HB3 ARG 6 HB3 ARG 6 -1.188 -5.834 5.024
28 HG2 ARG 6 HG2 ARG 6 -3.868 -6.476 6.133
29 HG3 ARG 6 HG3 ARG 6 -2.797 -5.425 7.063
30 HD2 ARG 6 HD2 ARG 6 -3.369 -4.946 4.153
31 HD3 ARG 6 HD3 ARG 6 -4.417 -4.317 5.424
32 HE ARG 6 HE ARG 6 -1.908 -3.266 4.622
33 HH11 ARG 6 HH11 ARG 6 -3.915 -3.790 7.418
34 HH12 ARG 6 HH12 ARG 6 -3.246 -2.464 8.309
35 HH21 ARG 6 HH21 ARG 6 -1.018 -1.517 5.786
36 HH22 ARG 6 HH22 ARG 6 -1.598 -1.171 7.380
37 H ALA 7 H ALA 7 -4.391 -8.668 5.300
38 HA ALA 7 HA ALA 7 -3.675 -10.385 7.335
39 HB1 ALA 7 HB1 ALA 7 -5.826 -11.104 7.305
40 HB2 ALA 7 HB2 ALA 7 -6.015 -9.691 6.266
41 HB3 ALA 7 HB3 ALA 7 -5.856 -11.295 5.551
42 H HIS 8 H HIS 8 -4.008 -12.864 7.196
43 HA HIS 8 HA HIS 8 -1.857 -14.007 5.902
44 HB2 HIS 8 HB2 HIS 8 -4.341 -15.063 7.147
45 HB3 HIS 8 HB3 HIS 8 -3.427 -16.166 6.123
46 HD1 HIS 8 HD1 HIS 8 -3.005 -14.053 9.232
47 HD2 HIS 8 HD2 HIS 8 -1.207 -17.258 7.293
48 HE1 HIS 8 HE1 HIS 8 -1.263 -14.913 10.829
49 H GLY 9 H GLY 9 -5.021 -13.292 4.666
50 HA2 GLY 9 HA2 GLY 9 -4.979 -13.030 2.168
51 HA3 GLY 9 HA3 GLY 9 -4.312 -14.656 2.142
52 H HIS 10 H HIS 10 -5.724 -16.312 3.335
53 HA HIS 10 HA HIS 10 -8.266 -16.338 2.065
54 HB2 HIS 10 HB2 HIS 10 -8.606 -18.440 3.423
55 HB3 HIS 10 HB3 HIS 10 -7.172 -18.433 2.402
56 HD1 HIS 10 HD1 HIS 10 -8.197 -18.125 6.017
57 HD2 HIS 10 HD2 HIS 10 -4.779 -18.727 3.734
58 HE1 HIS 10 HE1 HIS 10 -6.389 -18.724 7.659
59 H ILE 11 H ILE 11 -7.173 -14.977 4.962
60 HA ILE 11 HA ILE 11 -9.456 -15.276 6.597
61 HB ILE 11 HB ILE 11 -7.352 -13.111 6.580
62 HG12 ILE 11 HG12 ILE 11 -6.907 -15.673 7.121
63 HG13 ILE 11 HG13 ILE 11 -6.140 -14.392 8.052
64 HG21 ILE 11 HG21 ILE 11 -9.595 -13.675 8.498
65 HG22 ILE 11 HG22 ILE 11 -8.160 -12.763 8.961
66 HG23 ILE 11 HG23 ILE 11 -9.209 -12.164 7.676
67 HD11 ILE 11 HD11 ILE 11 -8.753 -15.516 8.946
68 HD12 ILE 11 HD12 ILE 11 -7.252 -16.386 9.269
69 HD13 ILE 11 HD13 ILE 11 -7.475 -14.751 9.891
70 H CYS 12 H CYS 12 -8.506 -12.805 4.250
71 HA CYS 12 HA CYS 12 -10.706 -11.080 4.742
72 HB2 CYS 12 HB2 CYS 12 -9.192 -11.268 2.141
73 HB3 CYS 12 HB3 CYS 12 -9.986 -9.859 2.838
74 H GLU 13 H GLU 13 -10.080 -13.535 2.249
75 HA GLU 13 HA GLU 13 -12.548 -13.210 0.908
76 HB2 GLU 13 HB2 GLU 13 -10.304 -14.480 0.258
77 HB3 GLU 13 HB3 GLU 13 -11.181 -15.858 0.907
78 HG2 GLU 13 HG2 GLU 13 -12.910 -14.420 -0.835
79 HG3 GLU 13 HG3 GLU 13 -11.376 -14.700 -1.657
80 H SER 14 H SER 14 -11.467 -15.517 3.381
81 HA SER 14 HA SER 14 -13.697 -17.129 3.543
82 HB2 SER 14 HB2 SER 14 -11.598 -17.516 4.799
83 HB3 SER 14 HB3 SER 14 -12.007 -16.175 5.869
84 HG SER 14 HG SER 14 -12.601 -18.275 6.684
85 H PHE 15 H PHE 15 -13.114 -14.039 5.188
86 HA PHE 15 HA PHE 15 -15.999 -13.909 5.770
87 HB2 PHE 15 HB2 PHE 15 -13.840 -12.610 7.434
88 HB3 PHE 15 HB3 PHE 15 -15.549 -12.768 7.825
89 HD1 PHE 15 HD1 PHE 15 -12.341 -14.524 7.594
90 HD2 PHE 15 HD2 PHE 15 -16.439 -14.812 8.708
91 HE1 PHE 15 HE1 PHE 15 -11.867 -16.625 8.785
92 HE2 PHE 15 HE2 PHE 15 -15.971 -16.912 9.901
93 HZ PHE 15 HZ PHE 15 -13.683 -17.821 9.941
94 H LYS 16 H LYS 16 -15.180 -12.998 3.373
95 HA LYS 16 HA LYS 16 -14.413 -10.251 3.385
96 HB2 LYS 16 HB2 LYS 16 -15.040 -10.325 0.975
97 HB3 LYS 16 HB3 LYS 16 -13.920 -11.595 1.449
98 HG2 LYS 16 HG2 LYS 16 -15.328 -13.194 0.825
99 HG3 LYS 16 HG3 LYS 16 -16.675 -12.450 1.691
100 HD2 LYS 16 HD2 LYS 16 -17.423 -12.322 -0.481
101 HD3 LYS 16 HD3 LYS 16 -16.625 -10.757 -0.309
102 HE2 LYS 16 HE2 LYS 16 -15.664 -11.400 -2.260
103 HE3 LYS 16 HE3 LYS 16 -14.542 -12.192 -1.155
104 HZ1 LYS 16 HZ1 LYS 16 -15.151 -14.175 -1.903
105 HZ2 LYS 16 HZ2 LYS 16 -15.998 -13.393 -3.141
106 HZ3 LYS 16 HZ3 LYS 16 -16.798 -13.838 -1.718
107 H SER 17 H SER 17 -17.462 -11.967 3.399
108 HA SER 17 HA SER 17 -19.057 -9.660 2.794
109 HB2 SER 17 HB2 SER 17 -20.218 -12.033 4.187
110 HB3 SER 17 HB3 SER 17 -20.875 -11.079 2.858
111 HG SER 17 HG SER 17 -20.010 -12.437 1.521
112 H PHE 18 H PHE 18 -17.398 -10.673 5.521
113 HA PHE 18 HA PHE 18 -19.268 -9.499 7.424
114 HB2 PHE 18 HB2 PHE 18 -16.582 -10.825 7.844
115 HB3 PHE 18 HB3 PHE 18 -17.635 -10.249 9.132
116 HD1 PHE 18 HD2 PHE 18 -17.466 -12.632 6.297
117 HD2 PHE 18 HD1 PHE 18 -19.320 -11.610 9.989
118 HE1 PHE 18 HE2 PHE 18 -18.623 -14.803 6.312
119 HE2 PHE 18 HE1 PHE 18 -20.479 -13.780 10.011
120 HZ PHE 18 HZ PHE 18 -20.133 -15.380 8.171
121 H CYS 19 H CYS 19 -17.200 -8.243 5.319
122 HA CYS 19 HA CYS 19 -15.483 -6.579 6.774
123 HB2 CYS 19 HB2 CYS 19 -16.651 -6.505 4.023
124 HB3 CYS 19 HB3 CYS 19 -15.815 -5.077 4.625
125 H LYS 20 H LYS 20 -18.883 -6.356 6.121
126 HA LYS 20 HA LYS 20 -18.981 -3.614 7.153
127 HB2 LYS 20 HB2 LYS 20 -21.387 -3.721 6.446
128 HB3 LYS 20 HB3 LYS 20 -20.230 -3.892 5.133
129 HG2 LYS 20 HG2 LYS 20 -21.170 -5.800 4.537
130 HG3 LYS 20 HG3 LYS 20 -20.828 -6.483 6.128
131 HD2 LYS 20 HD2 LYS 20 -23.147 -4.644 5.883
132 HD3 LYS 20 HD3 LYS 20 -23.303 -6.257 5.184
133 HE2 LYS 20 HE2 LYS 20 -22.215 -6.833 7.604
134 HE3 LYS 20 HE3 LYS 20 -23.180 -5.411 7.997
135 HZ1 LYS 20 HZ1 LYS 20 -24.598 -7.225 8.303
136 HZ2 LYS 20 HZ2 LYS 20 -24.096 -7.993 6.882
137 HZ3 LYS 20 HZ3 LYS 20 -25.051 -6.599 6.798
138 H ASP 21 H ASP 21 -18.563 -6.221 8.688
139 HA ASP 21 HA ASP 21 -20.907 -6.501 10.321
140 HB2 ASP 21 HB2 ASP 21 -19.116 -8.284 9.830
141 HB3 ASP 21 HB3 ASP 21 -18.153 -7.469 11.059
142 H SER 22 H SER 22 -21.435 -5.422 12.112
143 HA SER 22 HA SER 22 -19.781 -3.221 12.966
144 HB2 SER 22 HB2 SER 22 -22.278 -3.079 12.800
145 HB3 SER 22 HB3 SER 22 -22.385 -4.188 14.167
146 HG SER 22 HG SER 22 -21.752 -2.645 15.491
147 H GLY 23 H GLY 23 -18.205 -5.240 13.464
148 HA2 GLY 23 HA2 GLY 23 -18.066 -5.297 16.360
149 HA3 GLY 23 HA3 GLY 23 -18.298 -6.866 15.602
150 H ARG 24 H ARG 24 -16.149 -6.922 16.958
151 HA ARG 24 HA ARG 24 -13.801 -5.756 16.092
152 HB2 ARG 24 HB2 ARG 24 -14.126 -8.581 17.120
153 HB3 ARG 24 HB3 ARG 24 -12.637 -7.645 17.116
154 HG2 ARG 24 HG2 ARG 24 -14.952 -6.436 18.494
155 HG3 ARG 24 HG3 ARG 24 -14.228 -7.858 19.247
156 HD2 ARG 24 HD2 ARG 24 -12.997 -6.159 20.198
157 HD3 ARG 24 HD3 ARG 24 -11.988 -6.595 18.820
158 HE ARG 24 HE ARG 24 -13.825 -4.528 18.155
159 HH11 ARG 24 HH11 ARG 24 -10.817 -5.159 19.790
160 HH12 ARG 24 HH12 ARG 24 -10.201 -3.557 19.553
161 HH21 ARG 24 HH21 ARG 24 -13.026 -2.415 17.837
162 HH22 ARG 24 HH22 ARG 24 -11.459 -1.997 18.443
163 H ASN 25 H ASN 25 -15.286 -8.780 14.961
164 HA ASN 25 HA ASN 25 -13.341 -9.601 13.176
165 HB2 ASN 25 HB2 ASN 25 -16.282 -9.993 13.391
166 HB3 ASN 25 HB3 ASN 25 -15.524 -10.424 11.861
167 HD21 ASN 25 HD21 ASN 25 -16.782 -12.090 13.925
168 HD22 ASN 25 HD22 ASN 25 -15.585 -13.250 14.380
169 H GLY 26 H GLY 26 -15.969 -7.278 12.689
170 HA2 GLY 26 HA2 GLY 26 -15.488 -6.867 9.921
171 HA3 GLY 26 HA3 GLY 26 -16.397 -5.799 10.981
172 H VAL 27 H VAL 27 -14.514 -5.015 12.798
173 HA VAL 27 HA VAL 27 -13.185 -2.950 11.470
174 HB VAL 27 HB VAL 27 -12.503 -4.123 14.170
175 HG11 VAL 27 HG11 VAL 27 -12.078 -1.307 13.959
176 HG12 VAL 27 HG12 VAL 27 -10.915 -2.580 14.331
177 HG13 VAL 27 HG13 VAL 27 -11.218 -2.122 12.654
178 HG21 VAL 27 HG21 VAL 27 -14.730 -2.482 13.219
179 HG22 VAL 27 HG22 VAL 27 -14.576 -3.443 14.690
180 HG23 VAL 27 HG23 VAL 27 -13.896 -1.817 14.624
181 H LYS 28 H LYS 28 -11.923 -6.028 12.720
182 HA LYS 28 HA LYS 28 -9.243 -5.598 11.961
183 HB2 LYS 28 HB2 LYS 28 -10.788 -8.155 12.413
184 HB3 LYS 28 HB3 LYS 28 -9.049 -8.093 12.162
185 HG2 LYS 28 HG2 LYS 28 -10.491 -6.685 14.397
186 HG3 LYS 28 HG3 LYS 28 -9.721 -8.267 14.540
187 HD2 LYS 28 HD2 LYS 28 -7.706 -6.799 13.464
188 HD3 LYS 28 HD3 LYS 28 -8.529 -5.579 14.440
189 HE2 LYS 28 HE2 LYS 28 -8.134 -8.166 15.772
190 HE3 LYS 28 HE3 LYS 28 -6.647 -7.307 15.373
191 HZ1 LYS 28 HZ1 LYS 28 -8.713 -6.640 17.299
192 HZ2 LYS 28 HZ2 LYS 28 -8.092 -5.336 16.419
193 HZ3 LYS 28 HZ3 LYS 28 -7.054 -6.311 17.332
194 H LEU 29 H LEU 29 -12.040 -6.680 10.203
195 HA LEU 29 HA LEU 29 -10.653 -7.860 8.016
196 HB2 LEU 29 HB2 LEU 29 -13.447 -6.950 8.523
197 HB3 LEU 29 HB3 LEU 29 -12.949 -7.312 6.871
198 HG LEU 29 HG LEU 29 -12.706 -9.283 9.136
199 HD11 LEU 29 HD11 LEU 29 -14.910 -9.148 7.090
200 HD12 LEU 29 HD12 LEU 29 -15.066 -8.564 8.747
201 HD13 LEU 29 HD13 LEU 29 -14.758 -10.273 8.440
202 HD21 LEU 29 HD21 LEU 29 -12.851 -9.813 6.183
203 HD22 LEU 29 HD22 LEU 29 -12.310 -10.890 7.471
204 HD23 LEU 29 HD23 LEU 29 -11.323 -9.503 7.008
205 H ARG 30 H ARG 30 -12.133 -4.672 8.531
206 HA ARG 30 HA ARG 30 -11.430 -3.652 5.976
207 HB2 ARG 30 HB2 ARG 30 -12.137 -2.230 8.549
208 HB3 ARG 30 HB3 ARG 30 -11.962 -1.435 6.990
209 HG2 ARG 30 HG2 ARG 30 -13.736 -3.401 6.387
210 HG3 ARG 30 HG3 ARG 30 -14.170 -3.032 8.057
211 HD2 ARG 30 HD2 ARG 30 -13.704 -0.618 6.548
212 HD3 ARG 30 HD3 ARG 30 -14.917 -1.629 5.763
213 HE ARG 30 HE ARG 30 -15.331 -1.281 8.590
214 HH11 ARG 30 HH11 ARG 30 -15.932 0.013 5.414
215 HH12 ARG 30 HH12 ARG 30 -17.348 0.889 5.897
216 HH21 ARG 30 HH21 ARG 30 -17.192 -0.132 9.237
217 HH22 ARG 30 HH22 ARG 30 -18.063 0.806 8.071
218 H ALA 31 H ALA 31 -9.624 -4.249 8.780
219 HA ALA 31 HA ALA 31 -7.602 -2.233 8.161
220 HB1 ALA 31 HB1 ALA 31 -7.669 -4.233 10.418
221 HB2 ALA 31 HB2 ALA 31 -6.558 -2.874 10.246
222 HB3 ALA 31 HB3 ALA 31 -8.277 -2.580 10.508
223 H ASN 32 H ASN 32 -7.727 -5.760 8.701
224 HA ASN 32 HA ASN 32 -5.126 -6.152 7.552
225 HB2 ASN 32 HB2 ASN 32 -7.264 -8.167 8.282
226 HB3 ASN 32 HB3 ASN 32 -5.596 -8.551 7.867
227 HD21 ASN 32 HD21 ASN 32 -7.593 -8.362 10.363
228 HD22 ASN 32 HD22 ASN 32 -6.503 -7.893 11.620
229 H CYS 33 H CYS 33 -8.230 -5.750 6.294
230 HA CYS 33 HA CYS 33 -7.310 -6.664 3.668
231 HB2 CYS 33 HB2 CYS 33 -10.137 -7.207 4.533
232 HB3 CYS 33 HB3 CYS 33 -9.236 -7.919 3.199
233 H LYS 34 H LYS 34 -7.072 -4.154 4.006
234 HA LYS 34 HA LYS 34 -9.316 -2.483 3.871
235 HB2 LYS 34 HB2 LYS 34 -6.649 -1.920 2.576
236 HB3 LYS 34 HB3 LYS 34 -7.816 -0.751 3.180
237 HG2 LYS 34 HG2 LYS 34 -7.300 -2.212 5.417
238 HG3 LYS 34 HG3 LYS 34 -5.738 -2.245 4.595
239 HD2 LYS 34 HD2 LYS 34 -6.967 0.391 4.554
240 HD3 LYS 34 HD3 LYS 34 -6.702 -0.207 6.194
241 HE2 LYS 34 HE2 LYS 34 -4.446 -0.143 5.994
242 HE3 LYS 34 HE3 LYS 34 -4.477 -0.579 4.286
243 HZ1 LYS 34 HZ1 LYS 34 -5.319 2.087 5.264
244 HZ2 LYS 34 HZ2 LYS 34 -4.958 1.626 3.677
245 HZ3 LYS 34 HZ3 LYS 34 -3.721 1.743 4.826
246 H LYS 35 H LYS 35 -7.946 -4.571 1.537
247 HA LYS 35 HA LYS 35 -9.129 -3.176 -0.726
248 HB2 LYS 35 HB2 LYS 35 -6.874 -4.402 -0.758
249 HB3 LYS 35 HB3 LYS 35 -7.817 -5.886 -0.795
250 HG2 LYS 35 HG2 LYS 35 -7.256 -5.396 -3.029
251 HG3 LYS 35 HG3 LYS 35 -8.960 -4.974 -2.846
252 HD2 LYS 35 HD2 LYS 35 -7.499 -2.668 -2.174
253 HD3 LYS 35 HD3 LYS 35 -6.750 -3.318 -3.634
254 HE2 LYS 35 HE2 LYS 35 -9.354 -3.560 -4.283
255 HE3 LYS 35 HE3 LYS 35 -9.430 -2.152 -3.226
256 HZ1 LYS 35 HZ1 LYS 35 -9.060 -1.700 -5.658
257 HZ2 LYS 35 HZ2 LYS 35 -7.510 -2.350 -5.471
258 HZ3 LYS 35 HZ3 LYS 35 -7.958 -0.970 -4.602
259 H THR 36 H THR 36 -9.380 -6.417 0.742
260 HA THR 36 HA THR 36 -11.492 -7.397 -0.738
261 HB THR 36 HB THR 36 -10.926 -7.892 2.191
262 HG1 THR 36 HG1 THR 36 -9.187 -8.630 1.106
263 HG21 THR 36 HG21 THR 36 -13.201 -8.572 1.570
264 HG22 THR 36 HG22 THR 36 -12.177 -9.972 1.892
265 HG23 THR 36 HG23 THR 36 -12.551 -9.517 0.230
266 H CYS 37 H CYS 37 -11.514 -5.006 1.776
267 HA CYS 37 HA CYS 37 -14.430 -5.090 1.979
268 HB2 CYS 37 HB2 CYS 37 -12.417 -3.414 3.494
269 HB3 CYS 37 HB3 CYS 37 -14.146 -3.481 3.815
270 H GLY 38 H GLY 38 -11.863 -3.252 0.558
271 HA2 GLY 38 HA2 GLY 38 -12.034 -1.653 -1.119
272 HA3 GLY 38 HA3 GLY 38 -13.778 -1.660 -0.907
273 H LEU 39 H LEU 39 -10.746 -0.401 0.359
274 HA LEU 39 HA LEU 39 -12.255 1.857 1.491
275 HB2 LEU 39 HB2 LEU 39 -9.881 0.436 2.681
276 HB3 LEU 39 HB3 LEU 39 -10.484 1.990 3.254
277 HG LEU 39 HG LEU 39 -12.418 -0.256 3.162
278 HD11 LEU 39 HD11 LEU 39 -11.375 -1.614 4.570
279 HD12 LEU 39 HD12 LEU 39 -11.024 -0.283 5.672
280 HD13 LEU 39 HD13 LEU 39 -9.914 -0.649 4.351
281 HD21 LEU 39 HD21 LEU 39 -13.333 0.828 5.053
282 HD22 LEU 39 HD22 LEU 39 -12.893 2.107 3.921
283 HD23 LEU 39 HD23 LEU 39 -11.866 1.771 5.316
284 H CYS 40 H CYS 40 -10.156 0.932 -0.821
285 HA CYS 40 HA CYS 40 -8.142 2.932 -0.672
286 HB2 CYS 40 HB2 CYS 40 -9.101 1.559 -3.183
287 HB3 CYS 40 HB3 CYS 40 -7.508 2.238 -2.867
Start of MODEL 8
1 H1 ALA 1 H ALA 1 -2.338 7.638 -0.173
2 HA ALA 1 HA ALA 1 -2.441 6.236 1.640
3 HB1 ALA 1 HB1 ALA 1 -4.428 5.766 2.635
4 HB2 ALA 1 HB2 ALA 1 -4.973 7.046 1.551
5 HB3 ALA 1 HB3 ALA 1 -5.221 5.355 1.115
6 H ALA 2 H ALA 2 -1.445 4.337 1.568
7 HA ALA 2 HA ALA 2 -1.548 2.685 -0.755
8 HB1 ALA 2 HB1 ALA 2 -0.356 1.668 1.769
9 HB2 ALA 2 HB2 ALA 2 0.254 1.591 0.115
10 HB3 ALA 2 HB3 ALA 2 0.364 3.097 1.026
11 H CYS 3 H CYS 3 -3.593 1.851 -1.034
12 HA CYS 3 HA CYS 3 -4.804 0.326 1.140
13 HB2 CYS 3 HB2 CYS 3 -6.328 1.768 -0.016
14 HB3 CYS 3 HB3 CYS 3 -5.809 1.158 -1.584
15 H SER 4 H SER 4 -4.736 -1.822 1.271
16 HA SER 4 HA SER 4 -4.736 -3.599 -0.900
17 HB2 SER 4 HB2 SER 4 -2.066 -2.732 0.089
18 HB3 SER 4 HB3 SER 4 -2.281 -4.450 -0.248
19 HG SER 4 HG SER 4 -2.170 -2.306 -1.979
20 H ASP 5 H ASP 5 -3.681 -5.847 -0.017
21 HA ASP 5 HA ASP 5 -5.027 -6.272 2.554
22 HB2 ASP 5 HB2 ASP 5 -4.064 -8.490 0.776
23 HB3 ASP 5 HB3 ASP 5 -5.408 -8.484 1.915
24 H ARG 6 H ARG 6 -3.960 -6.900 4.336
25 HA ARG 6 HA ARG 6 -1.082 -7.474 4.063
26 HB2 ARG 6 HB2 ARG 6 -1.175 -6.658 6.586
27 HB3 ARG 6 HB3 ARG 6 -1.013 -5.522 5.253
28 HG2 ARG 6 HG2 ARG 6 -3.733 -6.241 6.235
29 HG3 ARG 6 HG3 ARG 6 -2.747 -5.100 7.151
30 HD2 ARG 6 HD2 ARG 6 -2.953 -4.671 4.227
31 HD3 ARG 6 HD3 ARG 6 -4.393 -4.343 5.191
32 HE ARG 6 HE ARG 6 -3.245 -2.609 6.280
33 HH11 ARG 6 HH11 ARG 6 -1.284 -4.199 3.883
34 HH12 ARG 6 HH12 ARG 6 -0.105 -2.931 3.817
35 HH21 ARG 6 HH21 ARG 6 -1.701 -0.933 6.203
36 HH22 ARG 6 HH22 ARG 6 -0.343 -1.074 5.138
37 H ALA 7 H ALA 7 -4.119 -8.469 5.386
38 HA ALA 7 HA ALA 7 -3.361 -10.194 7.415
39 HB1 ALA 7 HB1 ALA 7 -5.718 -9.522 6.351
40 HB2 ALA 7 HB2 ALA 7 -5.532 -11.123 5.633
41 HB3 ALA 7 HB3 ALA 7 -5.502 -10.934 7.387
42 H HIS 8 H HIS 8 -3.750 -12.697 7.167
43 HA HIS 8 HA HIS 8 -1.551 -13.770 5.852
44 HB2 HIS 8 HB2 HIS 8 -4.002 -14.892 7.108
45 HB3 HIS 8 HB3 HIS 8 -3.078 -15.959 6.056
46 HD1 HIS 8 HD1 HIS 8 -1.409 -17.289 7.283
47 HD2 HIS 8 HD2 HIS 8 -2.081 -13.615 9.104
48 HE1 HIS 8 HE1 HIS 8 0.048 -17.278 9.332
49 H GLY 9 H GLY 9 -4.702 -13.012 4.650
50 HA2 GLY 9 HA2 GLY 9 -4.741 -12.725 2.178
51 HA3 GLY 9 HA3 GLY 9 -4.006 -14.318 2.091
52 H HIS 10 H HIS 10 -5.332 -16.061 3.280
53 HA HIS 10 HA HIS 10 -7.886 -16.167 2.037
54 HB2 HIS 10 HB2 HIS 10 -6.264 -18.101 2.678
55 HB3 HIS 10 HB3 HIS 10 -7.058 -18.022 4.249
56 HD1 HIS 10 HD1 HIS 10 -8.995 -17.494 1.085
57 HD2 HIS 10 HD2 HIS 10 -8.340 -20.473 3.906
58 HE1 HIS 10 HE1 HIS 10 -10.711 -19.267 0.601
59 H ILE 11 H ILE 11 -6.818 -14.802 4.932
60 HA ILE 11 HA ILE 11 -9.087 -15.242 6.577
61 HB ILE 11 HB ILE 11 -7.037 -13.025 6.650
62 HG12 ILE 11 HG12 ILE 11 -6.561 -15.629 7.079
63 HG13 ILE 11 HG13 ILE 11 -5.748 -14.356 7.983
64 HG21 ILE 11 HG21 ILE 11 -8.922 -12.201 7.803
65 HG22 ILE 11 HG22 ILE 11 -9.236 -13.762 8.561
66 HG23 ILE 11 HG23 ILE 11 -7.831 -12.813 9.046
67 HD11 ILE 11 HD11 ILE 11 -6.694 -16.305 9.300
68 HD12 ILE 11 HD12 ILE 11 -7.101 -14.684 9.864
69 HD13 ILE 11 HD13 ILE 11 -8.283 -15.625 8.955
70 H CYS 12 H CYS 12 -8.149 -12.585 4.418
71 HA CYS 12 HA CYS 12 -10.367 -10.932 4.951
72 HB2 CYS 12 HB2 CYS 12 -8.834 -11.069 2.351
73 HB3 CYS 12 HB3 CYS 12 -9.721 -9.693 2.998
74 H GLU 13 H GLU 13 -9.800 -13.391 2.459
75 HA GLU 13 HA GLU 13 -12.310 -13.015 1.170
76 HB2 GLU 13 HB2 GLU 13 -10.063 -14.208 0.391
77 HB3 GLU 13 HB3 GLU 13 -10.894 -15.630 1.005
78 HG2 GLU 13 HG2 GLU 13 -12.716 -14.168 -0.605
79 HG3 GLU 13 HG3 GLU 13 -11.204 -14.344 -1.494
80 H SER 14 H SER 14 -11.106 -15.299 3.590
81 HA SER 14 HA SER 14 -13.333 -16.972 3.731
82 HB2 SER 14 HB2 SER 14 -11.200 -16.219 5.712
83 HB3 SER 14 HB3 SER 14 -12.523 -17.287 6.181
84 HG SER 14 HG SER 14 -11.871 -18.495 4.184
85 H PHE 15 H PHE 15 -12.783 -13.795 5.050
86 HA PHE 15 HA PHE 15 -15.545 -13.787 6.051
87 HB2 PHE 15 HB2 PHE 15 -13.137 -12.639 7.478
88 HB3 PHE 15 HB3 PHE 15 -14.809 -12.390 7.970
89 HD1 PHE 15 HD1 PHE 15 -16.189 -14.455 8.552
90 HD2 PHE 15 HD2 PHE 15 -11.946 -14.487 8.226
91 HE1 PHE 15 HE1 PHE 15 -16.106 -16.521 9.887
92 HE2 PHE 15 HE2 PHE 15 -11.855 -16.552 9.560
93 HZ PHE 15 HZ PHE 15 -13.937 -17.573 10.391
94 H LYS 16 H LYS 16 -14.760 -12.872 3.552
95 HA LYS 16 HA LYS 16 -14.215 -10.073 3.556
96 HB2 LYS 16 HB2 LYS 16 -14.865 -10.217 1.140
97 HB3 LYS 16 HB3 LYS 16 -13.601 -11.341 1.621
98 HG2 LYS 16 HG2 LYS 16 -14.803 -13.073 0.945
99 HG3 LYS 16 HG3 LYS 16 -16.183 -12.563 1.921
100 HD2 LYS 16 HD2 LYS 16 -15.695 -11.026 -0.554
101 HD3 LYS 16 HD3 LYS 16 -16.227 -12.696 -0.767
102 HE2 LYS 16 HE2 LYS 16 -17.639 -10.809 1.095
103 HE3 LYS 16 HE3 LYS 16 -18.023 -10.873 -0.625
104 HZ1 LYS 16 HZ1 LYS 16 -19.519 -12.308 0.477
105 HZ2 LYS 16 HZ2 LYS 16 -18.288 -13.052 1.367
106 HZ3 LYS 16 HZ3 LYS 16 -18.400 -13.311 -0.301
107 H SER 17 H SER 17 -17.122 -12.026 3.540
108 HA SER 17 HA SER 17 -18.893 -9.862 2.926
109 HB2 SER 17 HB2 SER 17 -20.555 -11.663 4.009
110 HB3 SER 17 HB3 SER 17 -19.931 -11.825 2.367
111 HG SER 17 HG SER 17 -19.742 -13.708 3.843
112 H PHE 18 H PHE 18 -17.137 -10.649 5.647
113 HA PHE 18 HA PHE 18 -19.106 -9.558 7.517
114 HB2 PHE 18 HB2 PHE 18 -16.397 -10.802 8.037
115 HB3 PHE 18 HB3 PHE 18 -17.534 -10.278 9.275
116 HD1 PHE 18 HD1 PHE 18 -17.126 -12.638 6.445
117 HD2 PHE 18 HD2 PHE 18 -19.203 -11.712 10.043
118 HE1 PHE 18 HE1 PHE 18 -18.191 -14.856 6.398
119 HE2 PHE 18 HE2 PHE 18 -20.270 -13.928 10.002
120 HZ PHE 18 HZ PHE 18 -19.764 -15.504 8.179
121 H CYS 19 H CYS 19 -17.178 -8.204 5.426
122 HA CYS 19 HA CYS 19 -15.516 -6.488 6.967
123 HB2 CYS 19 HB2 CYS 19 -16.386 -6.644 4.124
124 HB3 CYS 19 HB3 CYS 19 -15.753 -5.104 4.696
125 H LYS 20 H LYS 20 -18.857 -6.464 6.150
126 HA LYS 20 HA LYS 20 -19.131 -3.644 6.902
127 HB2 LYS 20 HB2 LYS 20 -21.503 -3.951 6.134
128 HB3 LYS 20 HB3 LYS 20 -20.289 -4.172 4.881
129 HG2 LYS 20 HG2 LYS 20 -21.088 -6.182 4.434
130 HG3 LYS 20 HG3 LYS 20 -20.790 -6.692 6.097
131 HD2 LYS 20 HD2 LYS 20 -23.107 -7.027 5.661
132 HD3 LYS 20 HD3 LYS 20 -22.974 -5.618 6.715
133 HE2 LYS 20 HE2 LYS 20 -23.183 -4.152 4.755
134 HE3 LYS 20 HE3 LYS 20 -23.347 -5.570 3.721
135 HZ1 LYS 20 HZ1 LYS 20 -25.187 -5.401 5.965
136 HZ2 LYS 20 HZ2 LYS 20 -25.460 -5.914 4.377
137 HZ3 LYS 20 HZ3 LYS 20 -25.416 -4.262 4.736
138 H ASP 21 H ASP 21 -18.709 -6.176 8.640
139 HA ASP 21 HA ASP 21 -21.093 -6.261 10.257
140 HB2 ASP 21 HB2 ASP 21 -18.382 -7.547 10.424
141 HB3 ASP 21 HB3 ASP 21 -19.497 -7.624 11.786
142 H SER 22 H SER 22 -21.552 -5.057 11.984
143 HA SER 22 HA SER 22 -19.753 -2.933 12.738
144 HB2 SER 22 HB2 SER 22 -22.178 -2.529 12.561
145 HB3 SER 22 HB3 SER 22 -22.464 -3.684 13.863
146 HG SER 22 HG SER 22 -22.410 -1.735 14.847
147 H GLY 23 H GLY 23 -18.325 -5.031 13.347
148 HA2 GLY 23 HA2 GLY 23 -18.271 -4.992 16.261
149 HA3 GLY 23 HA3 GLY 23 -18.481 -6.569 15.512
150 H ARG 24 H ARG 24 -16.388 -6.609 16.962
151 HA ARG 24 HA ARG 24 -14.002 -5.468 16.173
152 HB2 ARG 24 HB2 ARG 24 -14.300 -8.297 17.189
153 HB3 ARG 24 HB3 ARG 24 -12.887 -7.259 17.335
154 HG2 ARG 24 HG2 ARG 24 -14.897 -5.788 18.523
155 HG3 ARG 24 HG3 ARG 24 -15.239 -7.447 19.016
156 HD2 ARG 24 HD2 ARG 24 -12.531 -7.300 19.342
157 HD3 ARG 24 HD3 ARG 24 -13.040 -5.668 19.772
158 HE ARG 24 HE ARG 24 -14.683 -7.562 21.066
159 HH11 ARG 24 HH11 ARG 24 -11.459 -6.251 21.146
160 HH12 ARG 24 HH12 ARG 24 -11.238 -6.552 22.838
161 HH21 ARG 24 HH21 ARG 24 -14.404 -7.964 23.294
162 HH22 ARG 24 HH22 ARG 24 -12.913 -7.527 24.059
163 H ASN 25 H ASN 25 -15.588 -8.368 14.924
164 HA ASN 25 HA ASN 25 -13.544 -9.306 13.277
165 HB2 ASN 25 HB2 ASN 25 -16.504 -9.601 13.347
166 HB3 ASN 25 HB3 ASN 25 -15.684 -10.065 11.858
167 HD21 ASN 25 HD21 ASN 25 -17.097 -11.673 13.871
168 HD22 ASN 25 HD22 ASN 25 -15.964 -12.870 14.388
169 H GLY 26 H GLY 26 -16.094 -6.931 12.625
170 HA2 GLY 26 HA2 GLY 26 -15.451 -6.542 9.892
171 HA3 GLY 26 HA3 GLY 26 -16.380 -5.441 10.899
172 H VAL 27 H VAL 27 -14.600 -4.663 12.794
173 HA VAL 27 HA VAL 27 -13.122 -2.673 11.508
174 HB VAL 27 HB VAL 27 -12.655 -3.790 14.277
175 HG11 VAL 27 HG11 VAL 27 -11.405 -1.653 12.761
176 HG12 VAL 27 HG12 VAL 27 -12.093 -1.084 14.283
177 HG13 VAL 27 HG13 VAL 27 -10.914 -2.396 14.283
178 HG21 VAL 27 HG21 VAL 27 -14.947 -3.122 14.075
179 HG22 VAL 27 HG22 VAL 27 -14.094 -1.879 14.989
180 HG23 VAL 27 HG23 VAL 27 -14.490 -1.609 13.292
181 H LYS 28 H LYS 28 -12.050 -5.757 12.908
182 HA LYS 28 HA LYS 28 -9.310 -5.420 12.317
183 HB2 LYS 28 HB2 LYS 28 -10.967 -7.902 12.783
184 HB3 LYS 28 HB3 LYS 28 -9.218 -7.926 12.597
185 HG2 LYS 28 HG2 LYS 28 -8.845 -6.989 14.639
186 HG3 LYS 28 HG3 LYS 28 -10.373 -6.106 14.637
187 HD2 LYS 28 HD2 LYS 28 -11.343 -7.718 15.822
188 HD3 LYS 28 HD3 LYS 28 -10.903 -8.918 14.604
189 HE2 LYS 28 HE2 LYS 28 -8.618 -8.983 15.676
190 HE3 LYS 28 HE3 LYS 28 -9.299 -8.023 16.990
191 HZ1 LYS 28 HZ1 LYS 28 -11.078 -10.017 16.787
192 HZ2 LYS 28 HZ2 LYS 28 -9.771 -10.016 17.860
193 HZ3 LYS 28 HZ3 LYS 28 -9.649 -10.826 16.380
194 H LEU 29 H LEU 29 -12.020 -6.391 10.401
195 HA LEU 29 HA LEU 29 -10.524 -7.710 8.350
196 HB2 LEU 29 HB2 LEU 29 -13.329 -6.756 8.668
197 HB3 LEU 29 HB3 LEU 29 -12.743 -7.159 7.056
198 HG LEU 29 HG LEU 29 -12.618 -9.093 9.359
199 HD11 LEU 29 HD11 LEU 29 -14.960 -8.307 8.864
200 HD12 LEU 29 HD12 LEU 29 -14.678 -10.038 8.678
201 HD13 LEU 29 HD13 LEU 29 -14.765 -9.001 7.254
202 HD21 LEU 29 HD21 LEU 29 -11.198 -9.354 7.251
203 HD22 LEU 29 HD22 LEU 29 -12.717 -9.675 6.415
204 HD23 LEU 29 HD23 LEU 29 -12.197 -10.725 7.734
205 H ARG 30 H ARG 30 -11.939 -4.477 8.718
206 HA ARG 30 HA ARG 30 -11.128 -3.534 6.170
207 HB2 ARG 30 HB2 ARG 30 -11.840 -2.031 8.694
208 HB3 ARG 30 HB3 ARG 30 -11.607 -1.281 7.121
209 HG2 ARG 30 HG2 ARG 30 -13.438 -3.232 6.564
210 HG3 ARG 30 HG3 ARG 30 -13.901 -2.727 8.190
211 HD2 ARG 30 HD2 ARG 30 -13.285 -0.441 6.552
212 HD3 ARG 30 HD3 ARG 30 -14.500 -1.453 5.771
213 HE ARG 30 HE ARG 30 -15.017 -0.903 8.553
214 HH11 ARG 30 HH11 ARG 30 -15.460 0.164 5.269
215 HH12 ARG 30 HH12 ARG 30 -16.869 1.107 5.628
216 HH21 ARG 30 HH21 ARG 30 -16.871 0.334 9.038
217 HH22 ARG 30 HH22 ARG 30 -17.670 1.204 7.772
218 H ALA 31 H ALA 31 -9.444 -4.069 9.085
219 HA ALA 31 HA ALA 31 -7.348 -2.137 8.525
220 HB1 ALA 31 HB1 ALA 31 -7.414 -4.250 10.673
221 HB2 ALA 31 HB2 ALA 31 -6.365 -2.835 10.595
222 HB3 ALA 31 HB3 ALA 31 -8.099 -2.634 10.847
223 H ASN 32 H ASN 32 -7.529 -5.682 8.912
224 HA ASN 32 HA ASN 32 -4.928 -6.057 7.753
225 HB2 ASN 32 HB2 ASN 32 -7.076 -8.095 8.380
226 HB3 ASN 32 HB3 ASN 32 -5.392 -8.451 8.005
227 HD21 ASN 32 HD21 ASN 32 -7.466 -8.366 10.442
228 HD22 ASN 32 HD22 ASN 32 -6.422 -7.930 11.747
229 H CYS 33 H CYS 33 -8.003 -5.538 6.501
230 HA CYS 33 HA CYS 33 -7.102 -6.386 3.848
231 HB2 CYS 33 HB2 CYS 33 -9.951 -6.897 4.631
232 HB3 CYS 33 HB3 CYS 33 -9.002 -7.633 3.343
233 H LYS 34 H LYS 34 -6.801 -3.915 4.187
234 HA LYS 34 HA LYS 34 -9.024 -2.193 4.139
235 HB2 LYS 34 HB2 LYS 34 -6.377 -1.602 2.824
236 HB3 LYS 34 HB3 LYS 34 -7.502 -0.465 3.556
237 HG2 LYS 34 HG2 LYS 34 -6.927 -2.076 5.666
238 HG3 LYS 34 HG3 LYS 34 -5.400 -2.095 4.780
239 HD2 LYS 34 HD2 LYS 34 -6.472 0.575 4.888
240 HD3 LYS 34 HD3 LYS 34 -6.346 -0.105 6.512
241 HE2 LYS 34 HE2 LYS 34 -4.062 -0.295 6.402
242 HE3 LYS 34 HE3 LYS 34 -4.051 -0.440 4.645
243 HZ1 LYS 34 HZ1 LYS 34 -5.051 2.090 5.365
244 HZ2 LYS 34 HZ2 LYS 34 -3.658 1.718 4.481
245 HZ3 LYS 34 HZ3 LYS 34 -3.583 1.838 6.167
246 H LYS 35 H LYS 35 -7.703 -4.240 1.745
247 HA LYS 35 HA LYS 35 -8.950 -2.762 -0.447
248 HB2 LYS 35 HB2 LYS 35 -6.718 -3.594 -0.877
249 HB3 LYS 35 HB3 LYS 35 -7.196 -5.224 -0.420
250 HG2 LYS 35 HG2 LYS 35 -8.962 -4.467 -2.451
251 HG3 LYS 35 HG3 LYS 35 -7.367 -3.919 -2.970
252 HD2 LYS 35 HD2 LYS 35 -6.652 -6.010 -3.330
253 HD3 LYS 35 HD3 LYS 35 -7.335 -6.594 -1.811
254 HE2 LYS 35 HE2 LYS 35 -9.205 -7.345 -2.804
255 HE3 LYS 35 HE3 LYS 35 -9.324 -5.939 -3.861
256 HZ1 LYS 35 HZ1 LYS 35 -7.484 -6.951 -5.185
257 HZ2 LYS 35 HZ2 LYS 35 -8.937 -7.817 -5.223
258 HZ3 LYS 35 HZ3 LYS 35 -7.655 -8.357 -4.259
259 H THR 36 H THR 36 -8.956 -6.082 0.855
260 HA THR 36 HA THR 36 -10.994 -7.154 -0.653
261 HB THR 36 HB THR 36 -10.654 -7.742 2.288
262 HG1 THR 36 HG1 THR 36 -9.010 -8.327 0.085
263 HG21 THR 36 HG21 THR 36 -12.538 -8.738 0.774
264 HG22 THR 36 HG22 THR 36 -11.633 -9.794 1.860
265 HG23 THR 36 HG23 THR 36 -11.234 -9.743 0.143
266 H CYS 37 H CYS 37 -11.201 -4.922 2.020
267 HA CYS 37 HA CYS 37 -14.080 -5.220 2.253
268 HB2 CYS 37 HB2 CYS 37 -12.108 -3.402 3.648
269 HB3 CYS 37 HB3 CYS 37 -13.839 -3.402 3.969
270 H GLY 38 H GLY 38 -11.746 -3.068 0.800
271 HA2 GLY 38 HA2 GLY 38 -12.250 -1.680 -1.048
272 HA3 GLY 38 HA3 GLY 38 -13.940 -1.694 -0.567
273 H LEU 39 H LEU 39 -10.754 -0.433 0.317
274 HA LEU 39 HA LEU 39 -12.100 1.952 1.387
275 HB2 LEU 39 HB2 LEU 39 -9.760 0.482 2.584
276 HB3 LEU 39 HB3 LEU 39 -10.261 2.099 3.077
277 HG LEU 39 HG LEU 39 -12.306 -0.045 3.195
278 HD11 LEU 39 HD11 LEU 39 -11.176 -1.397 4.536
279 HD12 LEU 39 HD12 LEU 39 -10.966 -0.068 5.676
280 HD13 LEU 39 HD13 LEU 39 -9.754 -0.359 4.428
281 HD21 LEU 39 HD21 LEU 39 -13.079 1.199 5.066
282 HD22 LEU 39 HD22 LEU 39 -12.673 2.364 3.805
283 HD23 LEU 39 HD23 LEU 39 -11.574 2.113 5.162
284 H CYS 40 H CYS 40 -10.303 0.873 -1.024
285 HA CYS 40 HA CYS 40 -8.079 2.642 -1.070
286 HB2 CYS 40 HB2 CYS 40 -9.416 1.415 -3.482
287 HB3 CYS 40 HB3 CYS 40 -7.734 1.904 -3.312
Start of MODEL 9
1 H1 ALA 1 H ALA 1 -0.615 6.483 0.964
2 HA ALA 1 HA ALA 1 -1.724 5.265 3.095
3 HB1 ALA 1 HB1 ALA 1 -4.076 5.650 3.119
4 HB2 ALA 1 HB2 ALA 1 -3.280 7.222 3.197
5 HB3 ALA 1 HB3 ALA 1 -3.983 6.665 1.679
6 H ALA 2 H ALA 2 -0.740 3.637 1.802
7 HA ALA 2 HA ALA 2 -1.829 2.915 -0.750
8 HB1 ALA 2 HB1 ALA 2 0.456 2.421 -0.425
9 HB2 ALA 2 HB2 ALA 2 0.137 1.582 1.094
10 HB3 ALA 2 HB3 ALA 2 -0.378 0.867 -0.434
11 H CYS 3 H CYS 3 -3.457 1.570 -1.198
12 HA CYS 3 HA CYS 3 -4.774 0.214 1.044
13 HB2 CYS 3 HB2 CYS 3 -6.255 1.668 -0.151
14 HB3 CYS 3 HB3 CYS 3 -5.752 1.004 -1.702
15 H SER 4 H SER 4 -4.765 -1.931 1.228
16 HA SER 4 HA SER 4 -4.813 -3.763 -0.894
17 HB2 SER 4 HB2 SER 4 -2.118 -2.936 0.058
18 HB3 SER 4 HB3 SER 4 -2.376 -4.656 -0.230
19 HG SER 4 HG SER 4 -2.503 -4.298 -2.312
20 H ASP 5 H ASP 5 -3.806 -6.012 0.044
21 HA ASP 5 HA ASP 5 -5.149 -6.337 2.631
22 HB2 ASP 5 HB2 ASP 5 -4.253 -8.651 0.959
23 HB3 ASP 5 HB3 ASP 5 -5.640 -8.522 2.037
24 H ARG 6 H ARG 6 -4.050 -6.807 4.424
25 HA ARG 6 HA ARG 6 -1.203 -7.513 4.148
26 HB2 ARG 6 HB2 ARG 6 -1.221 -6.602 6.624
27 HB3 ARG 6 HB3 ARG 6 -1.106 -5.504 5.255
28 HG2 ARG 6 HG2 ARG 6 -3.805 -6.181 6.297
29 HG3 ARG 6 HG3 ARG 6 -2.790 -5.078 7.228
30 HD2 ARG 6 HD2 ARG 6 -3.301 -4.702 4.290
31 HD3 ARG 6 HD3 ARG 6 -4.374 -4.042 5.524
32 HE ARG 6 HE ARG 6 -1.863 -2.993 4.723
33 HH11 ARG 6 HH11 ARG 6 -3.911 -3.438 7.503
34 HH12 ARG 6 HH12 ARG 6 -3.270 -2.073 8.356
35 HH21 ARG 6 HH21 ARG 6 -1.011 -1.194 5.837
36 HH22 ARG 6 HH22 ARG 6 -1.621 -0.797 7.408
37 H ALA 7 H ALA 7 -4.251 -8.385 5.532
38 HA ALA 7 HA ALA 7 -3.524 -10.054 7.616
39 HB1 ALA 7 HB1 ALA 7 -5.710 -11.055 5.917
40 HB2 ALA 7 HB2 ALA 7 -5.685 -10.687 7.642
41 HB3 ALA 7 HB3 ALA 7 -5.871 -9.387 6.465
42 H HIS 8 H HIS 8 -3.976 -12.558 7.453
43 HA HIS 8 HA HIS 8 -1.800 -13.746 6.233
44 HB2 HIS 8 HB2 HIS 8 -4.352 -14.747 7.385
45 HB3 HIS 8 HB3 HIS 8 -3.426 -15.867 6.390
46 HD1 HIS 8 HD1 HIS 8 -0.720 -15.887 7.191
47 HD2 HIS 8 HD2 HIS 8 -3.636 -14.891 9.978
48 HE1 HIS 8 HE1 HIS 8 0.346 -16.254 9.439
49 H GLY 9 H GLY 9 -4.886 -12.921 4.887
50 HA2 GLY 9 HA2 GLY 9 -4.882 -12.642 2.436
51 HA3 GLY 9 HA3 GLY 9 -4.063 -14.194 2.350
52 H HIS 10 H HIS 10 -5.417 -15.916 3.753
53 HA HIS 10 HA HIS 10 -7.862 -16.230 2.299
54 HB2 HIS 10 HB2 HIS 10 -6.186 -18.042 3.172
55 HB3 HIS 10 HB3 HIS 10 -7.131 -17.936 4.653
56 HD1 HIS 10 HD1 HIS 10 -7.495 -18.848 1.009
57 HD2 HIS 10 HD2 HIS 10 -9.540 -19.260 4.602
58 HE1 HIS 10 HE1 HIS 10 -9.394 -20.424 0.525
59 H ILE 11 H ILE 11 -7.020 -14.747 5.235
60 HA ILE 11 HA ILE 11 -9.412 -15.177 6.700
61 HB ILE 11 HB ILE 11 -7.411 -12.924 6.904
62 HG12 ILE 11 HG12 ILE 11 -7.022 -15.587 7.433
63 HG13 ILE 11 HG13 ILE 11 -6.123 -14.269 8.176
64 HG21 ILE 11 HG21 ILE 11 -9.668 -13.747 8.718
65 HG22 ILE 11 HG22 ILE 11 -8.359 -12.672 9.208
66 HG23 ILE 11 HG23 ILE 11 -9.448 -12.198 7.904
67 HD11 ILE 11 HD11 ILE 11 -7.484 -14.324 10.112
68 HD12 ILE 11 HD12 ILE 11 -8.641 -15.412 9.346
69 HD13 ILE 11 HD13 ILE 11 -7.025 -15.988 9.752
70 H CYS 12 H CYS 12 -8.299 -12.495 4.647
71 HA CYS 12 HA CYS 12 -10.486 -10.809 4.945
72 HB2 CYS 12 HB2 CYS 12 -8.909 -11.189 2.394
73 HB3 CYS 12 HB3 CYS 12 -9.784 -9.746 2.898
74 H GLU 13 H GLU 13 -9.959 -13.369 2.534
75 HA GLU 13 HA GLU 13 -12.499 -13.016 1.289
76 HB2 GLU 13 HB2 GLU 13 -10.263 -14.962 1.088
77 HB3 GLU 13 HB3 GLU 13 -11.839 -15.495 0.521
78 HG2 GLU 13 HG2 GLU 13 -11.564 -12.992 -0.602
79 HG3 GLU 13 HG3 GLU 13 -9.941 -13.673 -0.694
80 H SER 14 H SER 14 -11.224 -15.254 3.713
81 HA SER 14 HA SER 14 -13.348 -17.008 3.929
82 HB2 SER 14 HB2 SER 14 -11.286 -16.020 5.860
83 HB3 SER 14 HB3 SER 14 -12.606 -17.024 6.461
84 HG SER 14 HG SER 14 -11.968 -18.655 5.084
85 H PHE 15 H PHE 15 -13.024 -13.750 5.168
86 HA PHE 15 HA PHE 15 -15.858 -13.807 5.912
87 HB2 PHE 15 HB2 PHE 15 -13.733 -12.524 7.637
88 HB3 PHE 15 HB3 PHE 15 -15.454 -12.638 7.987
89 HD1 PHE 15 HD2 PHE 15 -16.454 -14.926 8.367
90 HD2 PHE 15 HD1 PHE 15 -12.258 -14.218 8.276
91 HE1 PHE 15 HE2 PHE 15 -16.073 -17.049 9.551
92 HE2 PHE 15 HE1 PHE 15 -11.870 -16.340 9.459
93 HZ PHE 15 HZ PHE 15 -13.779 -17.758 10.099
94 H LYS 16 H LYS 16 -14.962 -12.813 3.546
95 HA LYS 16 HA LYS 16 -14.323 -10.041 3.641
96 HB2 LYS 16 HB2 LYS 16 -14.917 -10.095 1.206
97 HB3 LYS 16 HB3 LYS 16 -13.709 -11.279 1.687
98 HG2 LYS 16 HG2 LYS 16 -15.050 -13.037 1.234
99 HG3 LYS 16 HG3 LYS 16 -16.516 -12.188 1.728
100 HD2 LYS 16 HD2 LYS 16 -16.846 -12.324 -0.541
101 HD3 LYS 16 HD3 LYS 16 -16.033 -10.761 -0.424
102 HE2 LYS 16 HE2 LYS 16 -14.726 -11.648 -2.040
103 HE3 LYS 16 HE3 LYS 16 -13.895 -12.365 -0.661
104 HZ1 LYS 16 HZ1 LYS 16 -14.624 -14.411 -1.177
105 HZ2 LYS 16 HZ2 LYS 16 -14.818 -13.767 -2.729
106 HZ3 LYS 16 HZ3 LYS 16 -16.146 -13.877 -1.688
107 H SER 17 H SER 17 -17.290 -11.867 3.623
108 HA SER 17 HA SER 17 -18.989 -9.669 2.935
109 HB2 SER 17 HB2 SER 17 -19.736 -11.935 2.493
110 HB3 SER 17 HB3 SER 17 -19.604 -12.349 4.203
111 HG SER 17 HG SER 17 -21.765 -11.746 3.318
112 H PHE 18 H PHE 18 -17.351 -10.585 5.749
113 HA PHE 18 HA PHE 18 -19.244 -9.294 7.551
114 HB2 PHE 18 HB2 PHE 18 -16.582 -10.612 8.128
115 HB3 PHE 18 HB3 PHE 18 -17.718 -10.024 9.338
116 HD1 PHE 18 HD2 PHE 18 -17.302 -12.489 6.607
117 HD2 PHE 18 HD1 PHE 18 -19.481 -11.367 10.087
118 HE1 PHE 18 HE2 PHE 18 -18.430 -14.676 6.602
119 HE2 PHE 18 HE1 PHE 18 -20.612 -13.552 10.088
120 HZ PHE 18 HZ PHE 18 -20.088 -15.209 8.343
121 H CYS 19 H CYS 19 -17.216 -8.101 5.433
122 HA CYS 19 HA CYS 19 -15.463 -6.426 6.870
123 HB2 CYS 19 HB2 CYS 19 -16.542 -6.483 4.087
124 HB3 CYS 19 HB3 CYS 19 -15.745 -5.013 4.641
125 H LYS 20 H LYS 20 -18.844 -6.211 6.164
126 HA LYS 20 HA LYS 20 -18.952 -3.402 6.969
127 HB2 LYS 20 HB2 LYS 20 -21.381 -3.613 6.370
128 HB3 LYS 20 HB3 LYS 20 -20.269 -3.896 5.037
129 HG2 LYS 20 HG2 LYS 20 -21.197 -5.866 4.667
130 HG3 LYS 20 HG3 LYS 20 -20.780 -6.386 6.301
131 HD2 LYS 20 HD2 LYS 20 -23.106 -4.595 6.117
132 HD3 LYS 20 HD3 LYS 20 -23.315 -6.174 5.355
133 HE2 LYS 20 HE2 LYS 20 -22.074 -6.177 8.032
134 HE3 LYS 20 HE3 LYS 20 -23.769 -5.696 7.967
135 HZ1 LYS 20 HZ1 LYS 20 -23.299 -8.140 8.281
136 HZ2 LYS 20 HZ2 LYS 20 -22.779 -8.167 6.672
137 HZ3 LYS 20 HZ3 LYS 20 -24.376 -7.746 7.037
138 H ASP 21 H ASP 21 -18.440 -5.843 8.738
139 HA ASP 21 HA ASP 21 -20.724 -5.925 10.492
140 HB2 ASP 21 HB2 ASP 21 -19.026 -7.815 10.055
141 HB3 ASP 21 HB3 ASP 21 -17.975 -6.946 11.171
142 H SER 22 H SER 22 -20.980 -4.936 12.445
143 HA SER 22 HA SER 22 -19.405 -2.568 12.906
144 HB2 SER 22 HB2 SER 22 -21.851 -2.548 13.219
145 HB3 SER 22 HB3 SER 22 -21.691 -3.727 14.520
146 HG SER 22 HG SER 22 -21.307 -2.121 15.799
147 H GLY 23 H GLY 23 -19.476 -5.802 14.083
148 HA2 GLY 23 HA2 GLY 23 -18.260 -5.319 16.621
149 HA3 GLY 23 HA3 GLY 23 -18.368 -6.868 15.799
150 H ARG 24 H ARG 24 -16.132 -6.643 17.066
151 HA ARG 24 HA ARG 24 -14.018 -5.204 15.970
152 HB2 ARG 24 HB2 ARG 24 -12.549 -6.833 17.046
153 HB3 ARG 24 HB3 ARG 24 -13.877 -6.393 18.111
154 HG2 ARG 24 HG2 ARG 24 -14.990 -8.532 17.054
155 HG3 ARG 24 HG3 ARG 24 -13.308 -8.969 16.748
156 HD2 ARG 24 HD2 ARG 24 -12.947 -9.451 18.897
157 HD3 ARG 24 HD3 ARG 24 -13.701 -7.951 19.435
158 HE ARG 24 HE ARG 24 -15.812 -9.502 18.748
159 HH11 ARG 24 HH11 ARG 24 -13.055 -9.977 20.820
160 HH12 ARG 24 HH12 ARG 24 -13.887 -11.049 21.898
161 HH21 ARG 24 HH21 ARG 24 -16.917 -10.911 20.160
162 HH22 ARG 24 HH22 ARG 24 -16.083 -11.580 21.521
163 H ASN 25 H ASN 25 -15.364 -8.330 15.043
164 HA ASN 25 HA ASN 25 -13.434 -9.242 13.299
165 HB2 ASN 25 HB2 ASN 25 -16.383 -9.575 13.503
166 HB3 ASN 25 HB3 ASN 25 -15.619 -10.080 11.998
167 HD21 ASN 25 HD21 ASN 25 -16.115 -10.769 15.315
168 HD22 ASN 25 HD22 ASN 25 -15.256 -12.267 15.363
169 H GLY 26 H GLY 26 -16.058 -6.941 12.662
170 HA2 GLY 26 HA2 GLY 26 -15.486 -6.632 9.896
171 HA3 GLY 26 HA3 GLY 26 -16.453 -5.543 10.879
172 H VAL 27 H VAL 27 -14.630 -4.680 12.741
173 HA VAL 27 HA VAL 27 -13.308 -2.622 11.399
174 HB VAL 27 HB VAL 27 -12.555 -3.694 14.118
175 HG11 VAL 27 HG11 VAL 27 -12.416 -0.921 14.092
176 HG12 VAL 27 HG12 VAL 27 -11.058 -2.046 14.035
177 HG13 VAL 27 HG13 VAL 27 -11.741 -1.410 12.538
178 HG21 VAL 27 HG21 VAL 27 -14.188 -1.975 14.955
179 HG22 VAL 27 HG22 VAL 27 -14.790 -1.846 13.302
180 HG23 VAL 27 HG23 VAL 27 -14.912 -3.378 14.168
181 H LYS 28 H LYS 28 -12.023 -5.652 12.736
182 HA LYS 28 HA LYS 28 -9.333 -5.186 12.028
183 HB2 LYS 28 HB2 LYS 28 -10.842 -7.758 12.511
184 HB3 LYS 28 HB3 LYS 28 -9.099 -7.674 12.288
185 HG2 LYS 28 HG2 LYS 28 -10.631 -6.286 14.477
186 HG3 LYS 28 HG3 LYS 28 -9.750 -7.806 14.651
187 HD2 LYS 28 HD2 LYS 28 -7.929 -6.040 13.491
188 HD3 LYS 28 HD3 LYS 28 -8.770 -5.088 14.718
189 HE2 LYS 28 HE2 LYS 28 -8.154 -6.586 16.437
190 HE3 LYS 28 HE3 LYS 28 -7.636 -7.815 15.285
191 HZ1 LYS 28 HZ1 LYS 28 -6.295 -5.262 15.949
192 HZ2 LYS 28 HZ2 LYS 28 -5.901 -6.153 14.567
193 HZ3 LYS 28 HZ3 LYS 28 -5.685 -6.833 16.101
194 H LEU 29 H LEU 29 -12.067 -6.398 10.247
195 HA LEU 29 HA LEU 29 -10.619 -7.595 8.118
196 HB2 LEU 29 HB2 LEU 29 -13.434 -6.695 8.527
197 HB3 LEU 29 HB3 LEU 29 -12.889 -7.112 6.904
198 HG LEU 29 HG LEU 29 -12.698 -8.997 9.247
199 HD11 LEU 29 HD11 LEU 29 -14.840 -8.914 7.130
200 HD12 LEU 29 HD12 LEU 29 -15.047 -8.348 8.787
201 HD13 LEU 29 HD13 LEU 29 -14.710 -10.050 8.473
202 HD21 LEU 29 HD21 LEU 29 -12.743 -9.648 6.316
203 HD22 LEU 29 HD22 LEU 29 -12.218 -10.657 7.664
204 HD23 LEU 29 HD23 LEU 29 -11.244 -9.273 7.166
205 H ARG 30 H ARG 30 -12.131 -4.407 8.527
206 HA ARG 30 HA ARG 30 -11.394 -3.442 5.961
207 HB2 ARG 30 HB2 ARG 30 -12.137 -1.956 8.486
208 HB3 ARG 30 HB3 ARG 30 -11.963 -1.210 6.903
209 HG2 ARG 30 HG2 ARG 30 -13.714 -3.233 6.378
210 HG3 ARG 30 HG3 ARG 30 -14.168 -2.764 8.018
211 HD2 ARG 30 HD2 ARG 30 -13.695 -0.442 6.379
212 HD3 ARG 30 HD3 ARG 30 -14.884 -1.504 5.627
213 HE ARG 30 HE ARG 30 -15.350 -0.989 8.424
214 HH11 ARG 30 HH11 ARG 30 -15.926 0.073 5.159
215 HH12 ARG 30 HH12 ARG 30 -17.365 0.952 5.560
216 HH21 ARG 30 HH21 ARG 30 -17.242 0.164 8.965
217 HH22 ARG 30 HH22 ARG 30 -18.112 1.004 7.726
218 H ALA 31 H ALA 31 -9.652 -3.911 8.848
219 HA ALA 31 HA ALA 31 -7.630 -1.910 8.213
220 HB1 ALA 31 HB1 ALA 31 -8.334 -2.239 10.552
221 HB2 ALA 31 HB2 ALA 31 -7.709 -3.887 10.488
222 HB3 ALA 31 HB3 ALA 31 -6.608 -2.520 10.318
223 H ASN 32 H ASN 32 -7.715 -5.431 8.796
224 HA ASN 32 HA ASN 32 -5.095 -5.809 7.695
225 HB2 ASN 32 HB2 ASN 32 -7.225 -7.858 8.351
226 HB3 ASN 32 HB3 ASN 32 -5.527 -8.198 8.032
227 HD21 ASN 32 HD21 ASN 32 -7.687 -7.997 10.409
228 HD22 ASN 32 HD22 ASN 32 -6.674 -7.514 11.723
229 H CYS 33 H CYS 33 -8.168 -5.426 6.364
230 HA CYS 33 HA CYS 33 -7.185 -6.344 3.762
231 HB2 CYS 33 HB2 CYS 33 -10.034 -6.896 4.528
232 HB3 CYS 33 HB3 CYS 33 -9.062 -7.640 3.262
233 H LYS 34 H LYS 34 -6.964 -3.838 4.073
234 HA LYS 34 HA LYS 34 -9.212 -2.176 3.897
235 HB2 LYS 34 HB2 LYS 34 -6.529 -1.617 2.633
236 HB3 LYS 34 HB3 LYS 34 -7.708 -0.445 3.207
237 HG2 LYS 34 HG2 LYS 34 -7.225 -1.873 5.469
238 HG3 LYS 34 HG3 LYS 34 -5.651 -1.924 4.672
239 HD2 LYS 34 HD2 LYS 34 -6.833 0.718 4.545
240 HD3 LYS 34 HD3 LYS 34 -6.676 0.153 6.210
241 HE2 LYS 34 HE2 LYS 34 -4.405 0.143 6.136
242 HE3 LYS 34 HE3 LYS 34 -4.355 -0.277 4.424
243 HZ1 LYS 34 HZ1 LYS 34 -5.432 2.343 4.987
244 HZ2 LYS 34 HZ2 LYS 34 -4.303 1.863 3.822
245 HZ3 LYS 34 HZ3 LYS 34 -3.805 2.156 5.412
246 H LYS 35 H LYS 35 -7.808 -4.280 1.598
247 HA LYS 35 HA LYS 35 -9.028 -2.912 -0.673
248 HB2 LYS 35 HB2 LYS 35 -6.794 -3.784 -1.018
249 HB3 LYS 35 HB3 LYS 35 -7.302 -5.387 -0.503
250 HG2 LYS 35 HG2 LYS 35 -9.020 -4.718 -2.594
251 HG3 LYS 35 HG3 LYS 35 -7.421 -4.174 -3.108
252 HD2 LYS 35 HD2 LYS 35 -6.696 -6.270 -3.397
253 HD3 LYS 35 HD3 LYS 35 -7.365 -6.799 -1.852
254 HE2 LYS 35 HE2 LYS 35 -9.170 -7.684 -2.825
255 HE3 LYS 35 HE3 LYS 35 -9.420 -6.264 -3.839
256 HZ1 LYS 35 HZ1 LYS 35 -7.973 -8.728 -4.418
257 HZ2 LYS 35 HZ2 LYS 35 -7.327 -7.300 -5.053
258 HZ3 LYS 35 HZ3 LYS 35 -8.909 -7.757 -5.439
259 H THR 36 H THR 36 -9.070 -6.187 0.739
260 HA THR 36 HA THR 36 -11.119 -7.275 -0.748
261 HB THR 36 HB THR 36 -10.695 -7.796 2.199
262 HG1 THR 36 HG1 THR 36 -9.356 -8.836 -0.092
263 HG21 THR 36 HG21 THR 36 -11.642 -9.945 1.785
264 HG22 THR 36 HG22 THR 36 -11.647 -9.676 0.042
265 HG23 THR 36 HG23 THR 36 -12.737 -8.757 1.080
266 H CYS 37 H CYS 37 -11.294 -4.961 1.845
267 HA CYS 37 HA CYS 37 -14.180 -5.240 2.097
268 HB2 CYS 37 HB2 CYS 37 -12.168 -3.469 3.491
269 HB3 CYS 37 HB3 CYS 37 -13.902 -3.381 3.784
270 H GLY 38 H GLY 38 -11.818 -3.155 0.606
271 HA2 GLY 38 HA2 GLY 38 -12.282 -1.758 -1.236
272 HA3 GLY 38 HA3 GLY 38 -13.981 -1.768 -0.786
273 H LEU 39 H LEU 39 -10.812 -0.483 0.106
274 HA LEU 39 HA LEU 39 -12.171 1.910 1.135
275 HB2 LEU 39 HB2 LEU 39 -9.877 0.443 2.422
276 HB3 LEU 39 HB3 LEU 39 -10.392 2.064 2.883
277 HG LEU 39 HG LEU 39 -12.431 -0.093 2.955
278 HD11 LEU 39 HD11 LEU 39 -9.929 -0.357 4.291
279 HD12 LEU 39 HD12 LEU 39 -11.348 -1.401 4.376
280 HD13 LEU 39 HD13 LEU 39 -11.185 -0.042 5.488
281 HD21 LEU 39 HD21 LEU 39 -12.846 2.325 3.499
282 HD22 LEU 39 HD22 LEU 39 -11.803 2.115 4.905
283 HD23 LEU 39 HD23 LEU 39 -13.294 1.182 4.765
284 H CYS 40 H CYS 40 -10.304 0.786 -1.204
285 HA CYS 40 HA CYS 40 -8.068 2.540 -1.200
286 HB2 CYS 40 HB2 CYS 40 -9.334 1.290 -3.638
287 HB3 CYS 40 HB3 CYS 40 -7.654 1.770 -3.420
Start of MODEL 10
1 H1 ALA 1 H ALA 1 -1.149 5.995 1.629
2 HA ALA 1 HA ALA 1 -2.803 4.782 3.635
3 HB1 ALA 1 HB1 ALA 1 -4.009 6.509 1.534
4 HB2 ALA 1 HB2 ALA 1 -4.852 5.030 1.996
5 HB3 ALA 1 HB3 ALA 1 -4.497 6.258 3.211
6 H ALA 2 H ALA 2 -1.288 3.109 2.984
7 HA ALA 2 HA ALA 2 -1.090 2.047 0.408
8 HB1 ALA 2 HB1 ALA 2 -0.835 -0.085 2.245
9 HB2 ALA 2 HB2 ALA 2 0.445 0.841 1.459
10 HB3 ALA 2 HB3 ALA 2 -0.187 1.360 3.022
11 H CYS 3 H CYS 3 -2.704 1.328 -0.810
12 HA CYS 3 HA CYS 3 -5.026 0.072 0.447
13 HB2 CYS 3 HB2 CYS 3 -5.783 1.659 -1.072
14 HB3 CYS 3 HB3 CYS 3 -4.500 1.314 -2.227
15 H SER 4 H SER 4 -4.678 -2.031 0.842
16 HA SER 4 HA SER 4 -4.651 -3.926 -1.198
17 HB2 SER 4 HB2 SER 4 -1.967 -3.060 -0.260
18 HB3 SER 4 HB3 SER 4 -2.218 -4.794 -0.465
19 HG SER 4 HG SER 4 -1.609 -4.153 -2.438
20 H ASP 5 H ASP 5 -3.706 -6.151 -0.194
21 HA ASP 5 HA ASP 5 -5.055 -6.381 2.399
22 HB2 ASP 5 HB2 ASP 5 -4.175 -8.691 0.680
23 HB3 ASP 5 HB3 ASP 5 -5.441 -8.653 1.904
24 H ARG 6 H ARG 6 -4.027 -7.012 4.214
25 HA ARG 6 HA ARG 6 -1.161 -7.656 3.982
26 HB2 ARG 6 HB2 ARG 6 -1.218 -6.734 6.457
27 HB3 ARG 6 HB3 ARG 6 -1.070 -5.645 5.083
28 HG2 ARG 6 HG2 ARG 6 -3.793 -6.299 6.074
29 HG3 ARG 6 HG3 ARG 6 -2.790 -5.197 7.020
30 HD2 ARG 6 HD2 ARG 6 -3.269 -4.843 4.072
31 HD3 ARG 6 HD3 ARG 6 -4.322 -4.140 5.299
32 HE ARG 6 HE ARG 6 -1.785 -3.166 4.481
33 HH11 ARG 6 HH11 ARG 6 -3.845 -3.519 7.266
34 HH12 ARG 6 HH12 ARG 6 -3.170 -2.159 8.100
35 HH21 ARG 6 HH21 ARG 6 -0.888 -1.374 5.570
36 HH22 ARG 6 HH22 ARG 6 -1.488 -0.939 7.134
37 H ALA 7 H ALA 7 -4.225 -8.478 5.391
38 HA ALA 7 HA ALA 7 -3.508 -10.158 7.465
39 HB1 ALA 7 HB1 ALA 7 -5.674 -10.803 7.494
40 HB2 ALA 7 HB2 ALA 7 -5.852 -9.449 6.378
41 HB3 ALA 7 HB3 ALA 7 -5.727 -11.094 5.755
42 H HIS 8 H HIS 8 -3.944 -12.645 7.346
43 HA HIS 8 HA HIS 8 -1.813 -13.858 6.074
44 HB2 HIS 8 HB2 HIS 8 -4.330 -14.835 7.321
45 HB3 HIS 8 HB3 HIS 8 -3.437 -15.972 6.315
46 HD1 HIS 8 HD1 HIS 8 -0.678 -15.896 7.032
47 HD2 HIS 8 HD2 HIS 8 -3.563 -15.027 9.893
48 HE1 HIS 8 HE1 HIS 8 0.448 -16.252 9.252
49 H GLY 9 H GLY 9 -4.946 -13.054 4.819
50 HA2 GLY 9 HA2 GLY 9 -5.016 -12.809 2.362
51 HA3 GLY 9 HA3 GLY 9 -4.206 -14.366 2.275
52 H HIS 10 H HIS 10 -5.529 -16.045 3.777
53 HA HIS 10 HA HIS 10 -8.014 -16.385 2.395
54 HB2 HIS 10 HB2 HIS 10 -6.610 -17.961 4.548
55 HB3 HIS 10 HB3 HIS 10 -8.199 -18.414 3.939
56 HD1 HIS 10 HD1 HIS 10 -4.594 -18.226 2.922
57 HD2 HIS 10 HD2 HIS 10 -8.217 -19.604 1.424
58 HE1 HIS 10 HE1 HIS 10 -4.007 -19.604 0.902
59 H ILE 11 H ILE 11 -7.061 -14.940 5.349
60 HA ILE 11 HA ILE 11 -9.426 -15.288 6.853
61 HB ILE 11 HB ILE 11 -7.414 -13.039 6.981
62 HG12 ILE 11 HG12 ILE 11 -7.003 -15.708 7.500
63 HG13 ILE 11 HG13 ILE 11 -6.066 -14.385 8.184
64 HG21 ILE 11 HG21 ILE 11 -8.276 -12.787 9.315
65 HG22 ILE 11 HG22 ILE 11 -9.423 -12.333 8.055
66 HG23 ILE 11 HG23 ILE 11 -9.591 -13.881 8.884
67 HD11 ILE 11 HD11 ILE 11 -6.879 -16.074 9.828
68 HD12 ILE 11 HD12 ILE 11 -7.350 -14.411 10.182
69 HD13 ILE 11 HD13 ILE 11 -8.521 -15.529 9.484
70 H CYS 12 H CYS 12 -8.343 -12.667 4.711
71 HA CYS 12 HA CYS 12 -10.497 -10.940 5.052
72 HB2 CYS 12 HB2 CYS 12 -9.003 -11.383 2.462
73 HB3 CYS 12 HB3 CYS 12 -9.841 -9.920 2.970
74 H GLU 13 H GLU 13 -10.067 -13.514 2.631
75 HA GLU 13 HA GLU 13 -12.633 -13.157 1.461
76 HB2 GLU 13 HB2 GLU 13 -10.440 -15.151 1.252
77 HB3 GLU 13 HB3 GLU 13 -12.039 -15.665 0.734
78 HG2 GLU 13 HG2 GLU 13 -11.669 -13.154 -0.418
79 HG3 GLU 13 HG3 GLU 13 -10.129 -13.990 -0.607
80 H SER 14 H SER 14 -11.348 -15.344 3.922
81 HA SER 14 HA SER 14 -13.534 -17.034 4.215
82 HB2 SER 14 HB2 SER 14 -11.336 -17.392 5.302
83 HB3 SER 14 HB3 SER 14 -11.682 -16.060 6.405
84 HG SER 14 HG SER 14 -12.179 -18.331 7.091
85 H PHE 15 H PHE 15 -12.947 -13.833 5.554
86 HA PHE 15 HA PHE 15 -15.739 -13.791 6.486
87 HB2 PHE 15 HB2 PHE 15 -13.379 -12.495 7.868
88 HB3 PHE 15 HB3 PHE 15 -15.059 -12.400 8.387
89 HD1 PHE 15 HD1 PHE 15 -16.150 -14.288 9.430
90 HD2 PHE 15 HD2 PHE 15 -12.088 -14.512 8.177
91 HE1 PHE 15 HE1 PHE 15 -15.852 -16.327 10.774
92 HE2 PHE 15 HE2 PHE 15 -11.784 -16.552 9.518
93 HZ PHE 15 HZ PHE 15 -13.667 -17.463 10.818
94 H LYS 16 H LYS 16 -14.966 -12.953 3.958
95 HA LYS 16 HA LYS 16 -14.419 -10.164 3.846
96 HB2 LYS 16 HB2 LYS 16 -15.119 -10.380 1.459
97 HB3 LYS 16 HB3 LYS 16 -13.882 -11.532 1.946
98 HG2 LYS 16 HG2 LYS 16 -15.154 -13.232 1.328
99 HG3 LYS 16 HG3 LYS 16 -16.474 -12.675 2.358
100 HD2 LYS 16 HD2 LYS 16 -16.031 -11.240 -0.203
101 HD3 LYS 16 HD3 LYS 16 -16.713 -12.866 -0.286
102 HE2 LYS 16 HE2 LYS 16 -18.205 -11.787 1.699
103 HE3 LYS 16 HE3 LYS 16 -17.891 -10.360 0.712
104 HZ1 LYS 16 HZ1 LYS 16 -18.979 -12.904 -0.361
105 HZ2 LYS 16 HZ2 LYS 16 -18.840 -11.429 -1.177
106 HZ3 LYS 16 HZ3 LYS 16 -19.937 -11.588 0.100
107 H SER 17 H SER 17 -17.335 -12.075 4.052
108 HA SER 17 HA SER 17 -19.128 -9.965 3.350
109 HB2 SER 17 HB2 SER 17 -19.854 -12.251 3.067
110 HB3 SER 17 HB3 SER 17 -19.578 -12.597 4.774
111 HG SER 17 HG SER 17 -21.763 -12.205 4.443
112 H PHE 18 H PHE 18 -17.346 -10.711 6.141
113 HA PHE 18 HA PHE 18 -19.173 -9.301 7.929
114 HB2 PHE 18 HB2 PHE 18 -16.520 -10.625 8.535
115 HB3 PHE 18 HB3 PHE 18 -17.661 -9.997 9.719
116 HD1 PHE 18 HD2 PHE 18 -17.193 -12.576 7.112
117 HD2 PHE 18 HD1 PHE 18 -19.459 -11.299 10.480
118 HE1 PHE 18 HE2 PHE 18 -18.314 -14.764 7.182
119 HE2 PHE 18 HE1 PHE 18 -20.584 -13.486 10.557
120 HZ PHE 18 HZ PHE 18 -20.013 -15.222 8.906
121 H CYS 19 H CYS 19 -17.296 -8.202 5.692
122 HA CYS 19 HA CYS 19 -15.442 -6.506 7.027
123 HB2 CYS 19 HB2 CYS 19 -16.501 -6.744 4.246
124 HB3 CYS 19 HB3 CYS 19 -15.677 -5.256 4.699
125 H LYS 20 H LYS 20 -18.816 -6.315 6.361
126 HA LYS 20 HA LYS 20 -18.880 -3.443 6.936
127 HB2 LYS 20 HB2 LYS 20 -21.258 -3.583 6.272
128 HB3 LYS 20 HB3 LYS 20 -20.171 -4.138 5.006
129 HG2 LYS 20 HG2 LYS 20 -20.722 -6.456 6.341
130 HG3 LYS 20 HG3 LYS 20 -22.248 -5.577 6.465
131 HD2 LYS 20 HD2 LYS 20 -20.811 -5.797 3.844
132 HD3 LYS 20 HD3 LYS 20 -21.850 -7.103 4.417
133 HE2 LYS 20 HE2 LYS 20 -23.730 -5.575 4.560
134 HE3 LYS 20 HE3 LYS 20 -22.700 -4.228 4.079
135 HZ1 LYS 20 HZ1 LYS 20 -23.755 -4.836 2.127
136 HZ2 LYS 20 HZ2 LYS 20 -23.655 -6.493 2.449
137 HZ3 LYS 20 HZ3 LYS 20 -22.269 -5.634 1.999
138 H ASP 21 H ASP 21 -18.445 -5.793 8.858
139 HA ASP 21 HA ASP 21 -20.742 -5.692 10.595
140 HB2 ASP 21 HB2 ASP 21 -18.057 -7.023 10.704
141 HB3 ASP 21 HB3 ASP 21 -19.044 -6.919 12.159
142 H SER 22 H SER 22 -20.963 -4.599 12.503
143 HA SER 22 HA SER 22 -19.331 -2.247 12.822
144 HB2 SER 22 HB2 SER 22 -20.946 -2.100 14.944
145 HB3 SER 22 HB3 SER 22 -21.500 -1.689 13.321
146 HG SER 22 HG SER 22 -22.731 -3.292 14.747
147 H GLY 23 H GLY 23 -19.377 -5.418 14.103
148 HA2 GLY 23 HA2 GLY 23 -18.166 -4.827 16.633
149 HA3 GLY 23 HA3 GLY 23 -18.302 -6.413 15.887
150 H ARG 24 H ARG 24 -16.051 -6.139 17.135
151 HA ARG 24 HA ARG 24 -13.929 -4.792 15.948
152 HB2 ARG 24 HB2 ARG 24 -12.472 -6.325 17.128
153 HB3 ARG 24 HB3 ARG 24 -13.833 -5.902 18.157
154 HG2 ARG 24 HG2 ARG 24 -14.832 -8.116 17.080
155 HG3 ARG 24 HG3 ARG 24 -13.115 -8.493 16.924
156 HD2 ARG 24 HD2 ARG 24 -13.262 -7.528 19.476
157 HD3 ARG 24 HD3 ARG 24 -14.809 -8.357 19.307
158 HE ARG 24 HE ARG 24 -12.991 -10.147 18.360
159 HH11 ARG 24 HH11 ARG 24 -13.346 -8.364 21.329
160 HH12 ARG 24 HH12 ARG 24 -12.582 -9.577 22.302
161 HH21 ARG 24 HH21 ARG 24 -11.983 -11.752 19.630
162 HH22 ARG 24 HH22 ARG 24 -11.806 -11.503 21.334
163 H ASN 25 H ASN 25 -15.372 -7.900 15.158
164 HA ASN 25 HA ASN 25 -13.453 -8.955 13.468
165 HB2 ASN 25 HB2 ASN 25 -16.409 -9.209 13.695
166 HB3 ASN 25 HB3 ASN 25 -15.662 -9.805 12.215
167 HD21 ASN 25 HD21 ASN 25 -15.323 -9.959 15.736
168 HD22 ASN 25 HD22 ASN 25 -14.824 -11.613 15.788
169 H GLY 26 H GLY 26 -16.052 -6.658 12.705
170 HA2 GLY 26 HA2 GLY 26 -15.471 -6.490 9.933
171 HA3 GLY 26 HA3 GLY 26 -16.413 -5.333 10.862
172 H VAL 27 H VAL 27 -14.619 -4.358 12.654
173 HA VAL 27 HA VAL 27 -13.222 -2.440 11.182
174 HB VAL 27 HB VAL 27 -12.560 -3.294 14.001
175 HG11 VAL 27 HG11 VAL 27 -11.907 -0.957 12.296
176 HG12 VAL 27 HG12 VAL 27 -12.227 -0.657 14.006
177 HG13 VAL 27 HG13 VAL 27 -10.941 -1.766 13.529
178 HG21 VAL 27 HG21 VAL 27 -14.880 -1.812 12.892
179 HG22 VAL 27 HG22 VAL 27 -14.783 -2.881 14.292
180 HG23 VAL 27 HG23 VAL 27 -14.180 -1.227 14.402
181 H LYS 28 H LYS 28 -12.033 -5.369 12.806
182 HA LYS 28 HA LYS 28 -9.317 -5.012 12.134
183 HB2 LYS 28 HB2 LYS 28 -10.894 -7.499 12.807
184 HB3 LYS 28 HB3 LYS 28 -9.147 -7.480 12.605
185 HG2 LYS 28 HG2 LYS 28 -8.791 -6.358 14.562
186 HG3 LYS 28 HG3 LYS 28 -10.367 -5.564 14.523
187 HD2 LYS 28 HD2 LYS 28 -10.448 -7.151 16.286
188 HD3 LYS 28 HD3 LYS 28 -11.390 -7.828 14.955
189 HE2 LYS 28 HE2 LYS 28 -9.572 -9.270 14.332
190 HE3 LYS 28 HE3 LYS 28 -8.504 -8.502 15.505
191 HZ1 LYS 28 HZ1 LYS 28 -10.978 -9.967 16.238
192 HZ2 LYS 28 HZ2 LYS 28 -9.785 -9.387 17.288
193 HZ3 LYS 28 HZ3 LYS 28 -9.436 -10.664 16.235
194 H LEU 29 H LEU 29 -12.032 -6.230 10.359
195 HA LEU 29 HA LEU 29 -10.541 -7.653 8.384
196 HB2 LEU 29 HB2 LEU 29 -13.360 -6.731 8.675
197 HB3 LEU 29 HB3 LEU 29 -12.790 -7.246 7.089
198 HG LEU 29 HG LEU 29 -12.590 -8.994 9.530
199 HD11 LEU 29 HD11 LEU 29 -14.941 -8.392 9.149
200 HD12 LEU 29 HD12 LEU 29 -14.625 -10.093 8.809
201 HD13 LEU 29 HD13 LEU 29 -14.801 -8.946 7.480
202 HD21 LEU 29 HD21 LEU 29 -12.152 -10.736 8.033
203 HD22 LEU 29 HD22 LEU 29 -11.200 -9.384 7.418
204 HD23 LEU 29 HD23 LEU 29 -12.728 -9.811 6.646
205 H ARG 30 H ARG 30 -12.069 -4.447 8.485
206 HA ARG 30 HA ARG 30 -11.291 -3.686 5.873
207 HB2 ARG 30 HB2 ARG 30 -12.032 -2.014 8.279
208 HB3 ARG 30 HB3 ARG 30 -11.813 -1.372 6.656
209 HG2 ARG 30 HG2 ARG 30 -13.596 -3.382 6.215
210 HG3 ARG 30 HG3 ARG 30 -14.069 -2.820 7.820
211 HD2 ARG 30 HD2 ARG 30 -13.525 -0.594 6.073
212 HD3 ARG 30 HD3 ARG 30 -14.719 -1.673 5.354
213 HE ARG 30 HE ARG 30 -15.226 -1.008 8.112
214 HH11 ARG 30 HH11 ARG 30 -15.724 -0.103 4.787
215 HH12 ARG 30 HH12 ARG 30 -17.153 0.820 5.116
216 HH21 ARG 30 HH21 ARG 30 -17.107 0.204 8.558
217 HH22 ARG 30 HH22 ARG 30 -17.938 0.994 7.261
218 H ALA 31 H ALA 31 -9.556 -3.965 8.786
219 HA ALA 31 HA ALA 31 -7.520 -2.023 8.050
220 HB1 ALA 31 HB1 ALA 31 -7.501 -3.948 10.368
221 HB2 ALA 31 HB2 ALA 31 -6.507 -2.505 10.161
222 HB3 ALA 31 HB3 ALA 31 -8.245 -2.350 10.416
223 H ASN 32 H ASN 32 -7.609 -5.525 8.737
224 HA ASN 32 HA ASN 32 -5.009 -5.936 7.589
225 HB2 ASN 32 HB2 ASN 32 -7.109 -7.952 8.417
226 HB3 ASN 32 HB3 ASN 32 -5.430 -8.317 8.030
227 HD21 ASN 32 HD21 ASN 32 -7.433 -8.083 10.505
228 HD22 ASN 32 HD22 ASN 32 -6.368 -7.519 11.743
229 H CYS 33 H CYS 33 -8.068 -5.533 6.301
230 HA CYS 33 HA CYS 33 -7.182 -6.629 3.736
231 HB2 CYS 33 HB2 CYS 33 -10.019 -7.055 4.639
232 HB3 CYS 33 HB3 CYS 33 -9.147 -7.851 3.332
233 H LYS 34 H LYS 34 -6.892 -4.099 3.973
234 HA LYS 34 HA LYS 34 -9.113 -2.406 3.710
235 HB2 LYS 34 HB2 LYS 34 -6.411 -1.917 2.460
236 HB3 LYS 34 HB3 LYS 34 -7.575 -0.720 3.013
237 HG2 LYS 34 HG2 LYS 34 -7.096 -2.155 5.291
238 HG3 LYS 34 HG3 LYS 34 -5.521 -2.166 4.494
239 HD2 LYS 34 HD2 LYS 34 -6.795 0.445 4.398
240 HD3 LYS 34 HD3 LYS 34 -6.558 -0.128 6.050
241 HE2 LYS 34 HE2 LYS 34 -4.310 0.015 5.914
242 HE3 LYS 34 HE3 LYS 34 -4.274 -0.512 4.232
243 HZ1 LYS 34 HZ1 LYS 34 -3.784 1.614 3.819
244 HZ2 LYS 34 HZ2 LYS 34 -4.339 2.155 5.322
245 HZ3 LYS 34 HZ3 LYS 34 -5.433 1.911 4.054
246 H LYS 35 H LYS 35 -7.707 -4.612 1.512
247 HA LYS 35 HA LYS 35 -8.845 -3.302 -0.833
248 HB2 LYS 35 HB2 LYS 35 -6.556 -4.454 -0.785
249 HB3 LYS 35 HB3 LYS 35 -7.447 -5.970 -0.777
250 HG2 LYS 35 HG2 LYS 35 -6.850 -5.538 -3.020
251 HG3 LYS 35 HG3 LYS 35 -8.577 -5.200 -2.883
252 HD2 LYS 35 HD2 LYS 35 -7.334 -2.783 -2.283
253 HD3 LYS 35 HD3 LYS 35 -6.402 -3.442 -3.629
254 HE2 LYS 35 HE2 LYS 35 -8.924 -3.928 -4.478
255 HE3 LYS 35 HE3 LYS 35 -9.178 -2.459 -3.538
256 HZ1 LYS 35 HZ1 LYS 35 -7.645 -1.286 -4.867
257 HZ2 LYS 35 HZ2 LYS 35 -8.634 -2.130 -5.948
258 HZ3 LYS 35 HZ3 LYS 35 -7.075 -2.693 -5.612
259 H THR 36 H THR 36 -9.014 -6.530 0.679
260 HA THR 36 HA THR 36 -11.055 -7.620 -0.796
261 HB THR 36 HB THR 36 -10.709 -7.981 2.187
262 HG1 THR 36 HG1 THR 36 -9.257 -8.891 -0.024
263 HG21 THR 36 HG21 THR 36 -11.820 -10.053 1.939
264 HG22 THR 36 HG22 THR 36 -11.737 -9.975 0.179
265 HG23 THR 36 HG23 THR 36 -12.804 -8.883 1.061
266 H CYS 37 H CYS 37 -11.367 -5.625 2.133
267 HA CYS 37 HA CYS 37 -14.209 -5.664 2.147
268 HB2 CYS 37 HB2 CYS 37 -12.250 -3.771 3.460
269 HB3 CYS 37 HB3 CYS 37 -13.981 -3.796 3.781
270 H GLY 38 H GLY 38 -11.816 -3.689 0.569
271 HA2 GLY 38 HA2 GLY 38 -12.139 -2.269 -1.243
272 HA3 GLY 38 HA3 GLY 38 -13.875 -2.447 -1.037
273 H LEU 39 H LEU 39 -11.014 -0.744 0.082
274 HA LEU 39 HA LEU 39 -12.778 1.378 1.111
275 HB2 LEU 39 HB2 LEU 39 -10.153 0.413 2.228
276 HB3 LEU 39 HB3 LEU 39 -10.943 1.907 2.728
277 HG LEU 39 HG LEU 39 -12.543 -0.575 2.937
278 HD11 LEU 39 HD11 LEU 39 -9.943 -0.613 3.909
279 HD12 LEU 39 HD12 LEU 39 -11.268 -1.673 4.387
280 HD13 LEU 39 HD13 LEU 39 -10.936 -0.206 5.309
281 HD21 LEU 39 HD21 LEU 39 -12.916 1.990 3.687
282 HD22 LEU 39 HD22 LEU 39 -12.237 1.320 5.170
283 HD23 LEU 39 HD23 LEU 39 -13.692 0.612 4.467
284 H CYS 40 H CYS 40 -10.628 0.558 -1.229
285 HA CYS 40 HA CYS 40 -9.021 2.912 -1.364
286 HB2 CYS 40 HB2 CYS 40 -9.663 1.100 -3.685
287 HB3 CYS 40 HB3 CYS 40 -8.212 2.062 -3.423
Start of MODEL 11
1 H1 ALA 1 H ALA 1 -0.479 5.703 4.074
2 HA ALA 1 HA ALA 1 0.819 3.252 3.105
3 HB1 ALA 1 HB1 ALA 1 0.137 2.329 5.000
4 HB2 ALA 1 HB2 ALA 1 -0.585 3.865 5.483
5 HB3 ALA 1 HB3 ALA 1 -1.541 2.683 4.588
6 H ALA 2 H ALA 2 0.112 2.341 1.297
7 HA ALA 2 HA ALA 2 -2.153 3.363 -0.109
8 HB1 ALA 2 HB1 ALA 2 -0.396 2.664 -1.479
9 HB2 ALA 2 HB2 ALA 2 -0.222 1.128 -0.628
10 HB3 ALA 2 HB3 ALA 2 -1.618 1.405 -1.670
11 H CYS 3 H CYS 3 -3.630 1.553 -1.175
12 HA CYS 3 HA CYS 3 -4.894 0.167 1.082
13 HB2 CYS 3 HB2 CYS 3 -6.398 1.671 -0.010
14 HB3 CYS 3 HB3 CYS 3 -5.953 1.060 -1.601
15 H SER 4 H SER 4 -4.866 -1.978 1.222
16 HA SER 4 HA SER 4 -5.038 -3.752 -0.954
17 HB2 SER 4 HB2 SER 4 -2.686 -2.907 -1.289
18 HB3 SER 4 HB3 SER 4 -2.270 -3.639 0.261
19 HG SER 4 HG SER 4 -1.899 -5.323 -0.956
20 H ASP 5 H ASP 5 -3.969 -6.031 -0.079
21 HA ASP 5 HA ASP 5 -5.285 -6.418 2.515
22 HB2 ASP 5 HB2 ASP 5 -4.403 -8.691 0.780
23 HB3 ASP 5 HB3 ASP 5 -5.774 -8.594 1.882
24 H ARG 6 H ARG 6 -4.156 -6.909 4.283
25 HA ARG 6 HA ARG 6 -1.313 -7.610 3.951
26 HB2 ARG 6 HB2 ARG 6 -1.290 -6.735 6.440
27 HB3 ARG 6 HB3 ARG 6 -1.200 -5.616 5.086
28 HG2 ARG 6 HG2 ARG 6 -3.881 -6.310 6.159
29 HG3 ARG 6 HG3 ARG 6 -2.852 -5.224 7.094
30 HD2 ARG 6 HD2 ARG 6 -3.403 -4.796 4.171
31 HD3 ARG 6 HD3 ARG 6 -4.463 -4.162 5.429
32 HE ARG 6 HE ARG 6 -1.965 -3.090 4.618
33 HH11 ARG 6 HH11 ARG 6 -3.977 -3.594 7.414
34 HH12 ARG 6 HH12 ARG 6 -3.328 -2.244 8.286
35 HH21 ARG 6 HH21 ARG 6 -1.103 -1.311 5.755
36 HH22 ARG 6 HH22 ARG 6 -1.695 -0.946 7.340
37 H ALA 7 H ALA 7 -4.340 -8.507 5.363
38 HA ALA 7 HA ALA 7 -3.588 -10.200 7.415
39 HB1 ALA 7 HB1 ALA 7 -5.946 -9.526 6.306
40 HB2 ALA 7 HB2 ALA 7 -5.785 -11.180 5.713
41 HB3 ALA 7 HB3 ALA 7 -5.745 -10.857 7.447
42 H HIS 8 H HIS 8 -4.019 -12.702 7.232
43 HA HIS 8 HA HIS 8 -1.851 -13.867 5.983
44 HB2 HIS 8 HB2 HIS 8 -4.398 -14.894 7.126
45 HB3 HIS 8 HB3 HIS 8 -3.469 -15.995 6.112
46 HD1 HIS 8 HD1 HIS 8 -1.670 -13.547 8.280
47 HD2 HIS 8 HD2 HIS 8 -2.764 -17.555 8.337
48 HE1 HIS 8 HE1 HIS 8 -0.369 -14.572 10.172
49 H GLY 9 H GLY 9 -4.954 -13.050 4.662
50 HA2 GLY 9 HA2 GLY 9 -4.935 -12.729 2.207
51 HA3 GLY 9 HA3 GLY 9 -4.138 -14.292 2.107
52 H HIS 10 H HIS 10 -5.506 -16.018 3.469
53 HA HIS 10 HA HIS 10 -7.961 -16.278 2.025
54 HB2 HIS 10 HB2 HIS 10 -6.729 -17.954 4.218
55 HB3 HIS 10 HB3 HIS 10 -8.206 -18.387 3.363
56 HD1 HIS 10 HD1 HIS 10 -4.533 -17.768 2.652
57 HD2 HIS 10 HD2 HIS 10 -7.809 -19.748 1.036
58 HE1 HIS 10 HE1 HIS 10 -3.629 -19.095 0.717
59 H ILE 11 H ILE 11 -7.081 -14.904 5.021
60 HA ILE 11 HA ILE 11 -9.465 -15.309 6.482
61 HB ILE 11 HB ILE 11 -7.463 -13.056 6.683
62 HG12 ILE 11 HG12 ILE 11 -7.035 -15.710 7.164
63 HG13 ILE 11 HG13 ILE 11 -6.165 -14.400 7.954
64 HG21 ILE 11 HG21 ILE 11 -9.706 -13.899 8.504
65 HG22 ILE 11 HG22 ILE 11 -8.385 -12.847 9.010
66 HG23 ILE 11 HG23 ILE 11 -9.476 -12.336 7.722
67 HD11 ILE 11 HD11 ILE 11 -7.069 -16.196 9.458
68 HD12 ILE 11 HD12 ILE 11 -7.520 -14.544 9.881
69 HD13 ILE 11 HD13 ILE 11 -8.681 -15.595 9.072
70 H CYS 12 H CYS 12 -8.366 -12.598 4.457
71 HA CYS 12 HA CYS 12 -10.558 -10.924 4.786
72 HB2 CYS 12 HB2 CYS 12 -8.994 -11.259 2.222
73 HB3 CYS 12 HB3 CYS 12 -9.863 -9.825 2.759
74 H GLU 13 H GLU 13 -10.016 -13.375 2.259
75 HA GLU 13 HA GLU 13 -12.548 -13.032 1.036
76 HB2 GLU 13 HB2 GLU 13 -10.332 -15.003 0.852
77 HB3 GLU 13 HB3 GLU 13 -11.909 -15.517 0.268
78 HG2 GLU 13 HG2 GLU 13 -10.694 -14.654 -1.578
79 HG3 GLU 13 HG3 GLU 13 -11.959 -13.493 -1.178
80 H SER 14 H SER 14 -11.321 -15.316 3.446
81 HA SER 14 HA SER 14 -13.479 -17.029 3.638
82 HB2 SER 14 HB2 SER 14 -11.370 -17.402 4.833
83 HB3 SER 14 HB3 SER 14 -11.712 -16.030 5.887
84 HG SER 14 HG SER 14 -13.500 -18.204 5.664
85 H PHE 15 H PHE 15 -12.993 -13.900 5.221
86 HA PHE 15 HA PHE 15 -15.857 -13.901 5.909
87 HB2 PHE 15 HB2 PHE 15 -13.656 -12.600 7.524
88 HB3 PHE 15 HB3 PHE 15 -15.365 -12.675 7.941
89 HD1 PHE 15 HD2 PHE 15 -12.235 -14.560 7.722
90 HD2 PHE 15 HD1 PHE 15 -16.342 -14.682 8.832
91 HE1 PHE 15 HE2 PHE 15 -11.841 -16.664 8.934
92 HE2 PHE 15 HE1 PHE 15 -15.955 -16.786 10.047
93 HZ PHE 15 HZ PHE 15 -13.703 -17.781 10.098
94 H LYS 16 H LYS 16 -15.029 -12.940 3.492
95 HA LYS 16 HA LYS 16 -14.408 -10.167 3.512
96 HB2 LYS 16 HB2 LYS 16 -15.118 -10.263 1.107
97 HB3 LYS 16 HB3 LYS 16 -13.883 -11.434 1.552
98 HG2 LYS 16 HG2 LYS 16 -15.157 -13.113 0.877
99 HG3 LYS 16 HG3 LYS 16 -16.490 -12.578 1.903
100 HD2 LYS 16 HD2 LYS 16 -15.996 -11.068 -0.605
101 HD3 LYS 16 HD3 LYS 16 -16.684 -12.687 -0.751
102 HE2 LYS 16 HE2 LYS 16 -18.320 -11.853 1.099
103 HE3 LYS 16 HE3 LYS 16 -17.818 -10.251 0.561
104 HZ1 LYS 16 HZ1 LYS 16 -19.186 -12.354 -1.009
105 HZ2 LYS 16 HZ2 LYS 16 -18.425 -11.034 -1.743
106 HZ3 LYS 16 HZ3 LYS 16 -19.717 -10.782 -0.681
107 H SER 17 H SER 17 -17.393 -12.000 3.528
108 HA SER 17 HA SER 17 -19.089 -9.765 2.966
109 HB2 SER 17 HB2 SER 17 -19.655 -12.217 2.580
110 HB3 SER 17 HB3 SER 17 -19.913 -12.336 4.321
111 HG SER 17 HG SER 17 -21.853 -11.885 3.196
112 H PHE 18 H PHE 18 -17.388 -10.780 5.700
113 HA PHE 18 HA PHE 18 -19.245 -9.585 7.601
114 HB2 PHE 18 HB2 PHE 18 -16.552 -10.894 8.039
115 HB3 PHE 18 HB3 PHE 18 -17.638 -10.348 9.312
116 HD1 PHE 18 HD2 PHE 18 -17.361 -12.710 6.470
117 HD2 PHE 18 HD1 PHE 18 -19.332 -11.736 10.115
118 HE1 PHE 18 HE2 PHE 18 -18.481 -14.900 6.445
119 HE2 PHE 18 HE1 PHE 18 -20.455 -13.926 10.096
120 HZ PHE 18 HZ PHE 18 -20.031 -15.510 8.259
121 H CYS 19 H CYS 19 -17.270 -8.293 5.477
122 HA CYS 19 HA CYS 19 -15.523 -6.635 6.940
123 HB2 CYS 19 HB2 CYS 19 -16.648 -6.607 4.172
124 HB3 CYS 19 HB3 CYS 19 -15.836 -5.162 4.765
125 H LYS 20 H LYS 20 -18.915 -6.443 6.265
126 HA LYS 20 HA LYS 20 -19.060 -3.662 7.147
127 HB2 LYS 20 HB2 LYS 20 -21.465 -3.853 6.560
128 HB3 LYS 20 HB3 LYS 20 -20.396 -4.214 5.211
129 HG2 LYS 20 HG2 LYS 20 -20.811 -6.679 6.374
130 HG3 LYS 20 HG3 LYS 20 -22.380 -5.882 6.513
131 HD2 LYS 20 HD2 LYS 20 -22.330 -7.053 4.428
132 HD3 LYS 20 HD3 LYS 20 -22.225 -5.325 4.081
133 HE2 LYS 20 HE2 LYS 20 -19.633 -6.637 4.444
134 HE3 LYS 20 HE3 LYS 20 -20.561 -7.246 3.074
135 HZ1 LYS 20 HZ1 LYS 20 -19.687 -5.509 2.004
136 HZ2 LYS 20 HZ2 LYS 20 -19.261 -4.699 3.426
137 HZ3 LYS 20 HZ3 LYS 20 -20.837 -4.578 2.825
138 H ASP 21 H ASP 21 -18.444 -6.099 8.867
139 HA ASP 21 HA ASP 21 -20.690 -6.284 10.662
140 HB2 ASP 21 HB2 ASP 21 -18.926 -8.104 10.162
141 HB3 ASP 21 HB3 ASP 21 -17.899 -7.219 11.287
142 H SER 22 H SER 22 -20.957 -5.308 12.614
143 HA SER 22 HA SER 22 -19.433 -2.909 13.088
144 HB2 SER 22 HB2 SER 22 -21.920 -4.122 14.184
145 HB3 SER 22 HB3 SER 22 -21.053 -2.987 15.217
146 HG SER 22 HG SER 22 -22.685 -2.422 13.235
147 H GLY 23 H GLY 23 -19.374 -6.156 14.191
148 HA2 GLY 23 HA2 GLY 23 -18.156 -5.658 16.737
149 HA3 GLY 23 HA3 GLY 23 -18.262 -7.210 15.918
150 H ARG 24 H ARG 24 -16.012 -7.019 17.119
151 HA ARG 24 HA ARG 24 -13.923 -5.542 16.017
152 HB2 ARG 24 HB2 ARG 24 -13.665 -8.330 17.145
153 HB3 ARG 24 HB3 ARG 24 -12.434 -7.076 17.104
154 HG2 ARG 24 HG2 ARG 24 -14.533 -5.908 18.479
155 HG3 ARG 24 HG3 ARG 24 -14.506 -7.575 19.057
156 HD2 ARG 24 HD2 ARG 24 -12.047 -7.303 19.449
157 HD3 ARG 24 HD3 ARG 24 -12.237 -5.592 19.069
158 HE ARG 24 HE ARG 24 -12.909 -6.885 21.518
159 HH11 ARG 24 HH11 ARG 24 -13.809 -4.281 19.390
160 HH12 ARG 24 HH12 ARG 24 -14.524 -3.327 20.648
161 HH21 ARG 24 HH21 ARG 24 -13.847 -5.639 23.182
162 HH22 ARG 24 HH22 ARG 24 -14.544 -4.100 22.804
163 H ASN 25 H ASN 25 -15.273 -8.656 15.058
164 HA ASN 25 HA ASN 25 -13.370 -9.529 13.264
165 HB2 ASN 25 HB2 ASN 25 -16.314 -9.878 13.514
166 HB3 ASN 25 HB3 ASN 25 -15.575 -10.353 11.988
167 HD21 ASN 25 HD21 ASN 25 -15.501 -10.853 15.463
168 HD22 ASN 25 HD22 ASN 25 -14.832 -12.445 15.406
169 H GLY 26 H GLY 26 -16.009 -7.223 12.719
170 HA2 GLY 26 HA2 GLY 26 -15.490 -6.865 9.947
171 HA3 GLY 26 HA3 GLY 26 -16.443 -5.797 10.967
172 H VAL 27 H VAL 27 -14.588 -4.963 12.812
173 HA VAL 27 HA VAL 27 -13.298 -2.875 11.483
174 HB VAL 27 HB VAL 27 -12.489 -3.988 14.169
175 HG11 VAL 27 HG11 VAL 27 -11.920 -1.607 14.617
176 HG12 VAL 27 HG12 VAL 27 -10.938 -2.349 13.353
177 HG13 VAL 27 HG13 VAL 27 -12.252 -1.255 12.921
178 HG21 VAL 27 HG21 VAL 27 -14.119 -2.188 14.996
179 HG22 VAL 27 HG22 VAL 27 -14.808 -2.257 13.375
180 HG23 VAL 27 HG23 VAL 27 -14.798 -3.698 14.391
181 H LYS 28 H LYS 28 -11.977 -5.921 12.750
182 HA LYS 28 HA LYS 28 -9.302 -5.433 12.002
183 HB2 LYS 28 HB2 LYS 28 -10.791 -8.020 12.468
184 HB3 LYS 28 HB3 LYS 28 -9.053 -7.922 12.221
185 HG2 LYS 28 HG2 LYS 28 -10.563 -6.582 14.455
186 HG3 LYS 28 HG3 LYS 28 -9.666 -8.096 14.590
187 HD2 LYS 28 HD2 LYS 28 -7.709 -6.628 13.606
188 HD3 LYS 28 HD3 LYS 28 -8.663 -5.307 14.284
189 HE2 LYS 28 HE2 LYS 28 -8.694 -6.999 16.366
190 HE3 LYS 28 HE3 LYS 28 -7.155 -7.460 15.638
191 HZ1 LYS 28 HZ1 LYS 28 -6.417 -5.187 15.776
192 HZ2 LYS 28 HZ2 LYS 28 -6.921 -5.701 17.307
193 HZ3 LYS 28 HZ3 LYS 28 -7.914 -4.688 16.386
194 H LEU 29 H LEU 29 -12.063 -6.628 10.249
195 HA LEU 29 HA LEU 29 -10.648 -7.786 8.077
196 HB2 LEU 29 HB2 LEU 29 -13.458 -6.904 8.551
197 HB3 LEU 29 HB3 LEU 29 -12.941 -7.290 6.911
198 HG LEU 29 HG LEU 29 -12.693 -9.217 9.213
199 HD11 LEU 29 HD11 LEU 29 -15.052 -8.582 8.844
200 HD12 LEU 29 HD12 LEU 29 -14.720 -10.268 8.446
201 HD13 LEU 29 HD13 LEU 29 -14.894 -9.075 7.158
202 HD21 LEU 29 HD21 LEU 29 -12.253 -10.845 7.585
203 HD22 LEU 29 HD22 LEU 29 -11.291 -9.451 7.093
204 HD23 LEU 29 HD23 LEU 29 -12.811 -9.809 6.271
205 H ARG 30 H ARG 30 -12.169 -4.612 8.557
206 HA ARG 30 HA ARG 30 -11.479 -3.604 5.996
207 HB2 ARG 30 HB2 ARG 30 -12.181 -2.161 8.559
208 HB3 ARG 30 HB3 ARG 30 -12.035 -1.388 6.986
209 HG2 ARG 30 HG2 ARG 30 -13.790 -3.405 6.455
210 HG3 ARG 30 HG3 ARG 30 -14.218 -2.967 8.111
211 HD2 ARG 30 HD2 ARG 30 -13.778 -0.614 6.506
212 HD3 ARG 30 HD3 ARG 30 -14.978 -1.665 5.756
213 HE ARG 30 HE ARG 30 -15.395 -1.202 8.570
214 HH11 ARG 30 HH11 ARG 30 -16.032 -0.083 5.335
215 HH12 ARG 30 HH12 ARG 30 -17.465 0.784 5.777
216 HH21 ARG 30 HH21 ARG 30 -17.281 -0.064 9.165
217 HH22 ARG 30 HH22 ARG 30 -18.174 0.795 7.956
218 H ALA 31 H ALA 31 -9.684 -4.108 8.846
219 HA ALA 31 HA ALA 31 -7.679 -2.093 8.203
220 HB1 ALA 31 HB1 ALA 31 -7.710 -4.105 10.449
221 HB2 ALA 31 HB2 ALA 31 -6.617 -2.730 10.280
222 HB3 ALA 31 HB3 ALA 31 -8.339 -2.460 10.550
223 H ASN 32 H ASN 32 -7.740 -5.622 8.741
224 HA ASN 32 HA ASN 32 -5.141 -5.978 7.588
225 HB2 ASN 32 HB2 ASN 32 -7.257 -8.040 8.246
226 HB3 ASN 32 HB3 ASN 32 -5.564 -8.373 7.892
227 HD21 ASN 32 HD21 ASN 32 -7.681 -8.218 10.310
228 HD22 ASN 32 HD22 ASN 32 -6.646 -7.753 11.613
229 H CYS 33 H CYS 33 -8.226 -5.562 6.307
230 HA CYS 33 HA CYS 33 -7.285 -6.438 3.677
231 HB2 CYS 33 HB2 CYS 33 -10.117 -7.023 4.484
232 HB3 CYS 33 HB3 CYS 33 -9.167 -7.731 3.182
233 H LYS 34 H LYS 34 -7.072 -3.939 4.022
234 HA LYS 34 HA LYS 34 -9.330 -2.284 3.918
235 HB2 LYS 34 HB2 LYS 34 -6.667 -1.703 2.621
236 HB3 LYS 34 HB3 LYS 34 -7.845 -0.537 3.209
237 HG2 LYS 34 HG2 LYS 34 -7.319 -2.010 5.452
238 HG3 LYS 34 HG3 LYS 34 -5.752 -1.976 4.640
239 HD2 LYS 34 HD2 LYS 34 -5.452 0.200 5.081
240 HD3 LYS 34 HD3 LYS 34 -7.112 0.607 4.642
241 HE2 LYS 34 HE2 LYS 34 -7.686 -0.552 6.911
242 HE3 LYS 34 HE3 LYS 34 -5.993 -0.231 7.283
243 HZ1 LYS 34 HZ1 LYS 34 -8.022 1.506 7.663
244 HZ2 LYS 34 HZ2 LYS 34 -7.393 2.032 6.183
245 HZ3 LYS 34 HZ3 LYS 34 -6.390 1.937 7.542
246 H LYS 35 H LYS 35 -7.963 -4.343 1.557
247 HA LYS 35 HA LYS 35 -9.233 -2.944 -0.667
248 HB2 LYS 35 HB2 LYS 35 -7.005 -3.803 -1.070
249 HB3 LYS 35 HB3 LYS 35 -7.496 -5.416 -0.570
250 HG2 LYS 35 HG2 LYS 35 -9.259 -4.723 -2.614
251 HG3 LYS 35 HG3 LYS 35 -7.675 -4.161 -3.153
252 HD2 LYS 35 HD2 LYS 35 -6.947 -6.246 -3.497
253 HD3 LYS 35 HD3 LYS 35 -7.569 -6.804 -1.942
254 HE2 LYS 35 HE2 LYS 35 -8.739 -8.045 -3.561
255 HE3 LYS 35 HE3 LYS 35 -9.865 -6.795 -3.031
256 HZ1 LYS 35 HZ1 LYS 35 -9.817 -5.779 -5.028
257 HZ2 LYS 35 HZ2 LYS 35 -9.380 -7.317 -5.579
258 HZ3 LYS 35 HZ3 LYS 35 -8.191 -6.143 -5.320
259 H THR 36 H THR 36 -9.235 -6.244 0.687
260 HA THR 36 HA THR 36 -11.309 -7.316 -0.773
261 HB THR 36 HB THR 36 -10.820 -7.875 2.157
262 HG1 THR 36 HG1 THR 36 -8.877 -8.166 1.111
263 HG21 THR 36 HG21 THR 36 -11.794 -10.007 1.753
264 HG22 THR 36 HG22 THR 36 -11.822 -9.738 0.010
265 HG23 THR 36 HG23 THR 36 -12.894 -8.815 1.062
266 H CYS 37 H CYS 37 -11.445 -5.052 1.869
267 HA CYS 37 HA CYS 37 -14.327 -5.339 2.158
268 HB2 CYS 37 HB2 CYS 37 -12.299 -3.587 3.555
269 HB3 CYS 37 HB3 CYS 37 -14.028 -3.518 3.880
270 H GLY 38 H GLY 38 -11.989 -3.219 0.676
271 HA2 GLY 38 HA2 GLY 38 -12.478 -1.782 -1.127
272 HA3 GLY 38 HA3 GLY 38 -14.172 -1.811 -0.661
273 H LEU 39 H LEU 39 -11.002 -0.520 0.214
274 HA LEU 39 HA LEU 39 -12.366 1.835 1.321
275 HB2 LEU 39 HB2 LEU 39 -10.034 0.362 2.529
276 HB3 LEU 39 HB3 LEU 39 -10.553 1.968 3.036
277 HG LEU 39 HG LEU 39 -12.567 -0.215 3.101
278 HD11 LEU 39 HD11 LEU 39 -11.456 -1.528 4.496
279 HD12 LEU 39 HD12 LEU 39 -11.262 -0.176 5.612
280 HD13 LEU 39 HD13 LEU 39 -10.041 -0.482 4.377
281 HD21 LEU 39 HD21 LEU 39 -13.421 1.016 4.941
282 HD22 LEU 39 HD22 LEU 39 -13.002 2.191 3.694
283 HD23 LEU 39 HD23 LEU 39 -11.940 1.962 5.083
284 H CYS 40 H CYS 40 -10.512 0.771 -1.067
285 HA CYS 40 HA CYS 40 -8.309 2.567 -1.065
286 HB2 CYS 40 HB2 CYS 40 -9.578 1.319 -3.503
287 HB3 CYS 40 HB3 CYS 40 -7.906 1.833 -3.299
Start of MODEL 12
1 H1 ALA 1 H ALA 1 -2.272 7.426 1.591
2 HA ALA 1 HA ALA 1 -1.387 5.070 3.102
3 HB1 ALA 1 HB1 ALA 1 -4.193 6.123 2.785
4 HB2 ALA 1 HB2 ALA 1 -3.636 4.886 3.913
5 HB3 ALA 1 HB3 ALA 1 -3.109 6.558 4.107
6 H ALA 2 H ALA 2 -0.833 3.537 1.640
7 HA ALA 2 HA ALA 2 -2.249 3.105 -0.801
8 HB1 ALA 2 HB1 ALA 2 -0.130 1.537 0.644
9 HB2 ALA 2 HB2 ALA 2 -0.841 1.001 -0.878
10 HB3 ALA 2 HB3 ALA 2 0.038 2.528 -0.805
11 H CYS 3 H CYS 3 -3.675 1.480 -1.353
12 HA CYS 3 HA CYS 3 -4.987 0.154 0.918
13 HB2 CYS 3 HB2 CYS 3 -6.499 1.567 -0.305
14 HB3 CYS 3 HB3 CYS 3 -5.996 0.866 -1.840
15 H SER 4 H SER 4 -5.011 -2.002 1.090
16 HA SER 4 HA SER 4 -4.979 -3.846 -1.004
17 HB2 SER 4 HB2 SER 4 -2.537 -4.692 -0.396
18 HB3 SER 4 HB3 SER 4 -2.797 -3.472 -1.643
19 HG SER 4 HG SER 4 -1.148 -2.975 -0.028
20 H ASP 5 H ASP 5 -3.966 -6.071 -0.070
21 HA ASP 5 HA ASP 5 -5.263 -6.396 2.540
22 HB2 ASP 5 HB2 ASP 5 -4.372 -8.692 0.830
23 HB3 ASP 5 HB3 ASP 5 -5.710 -8.608 1.972
24 H ARG 6 H ARG 6 -4.164 -6.962 4.320
25 HA ARG 6 HA ARG 6 -1.307 -7.612 4.006
26 HB2 ARG 6 HB2 ARG 6 -1.332 -6.698 6.500
27 HB3 ARG 6 HB3 ARG 6 -1.161 -5.621 5.120
28 HG2 ARG 6 HG2 ARG 6 -3.881 -6.226 6.180
29 HG3 ARG 6 HG3 ARG 6 -2.849 -5.068 7.021
30 HD2 ARG 6 HD2 ARG 6 -3.078 -4.759 4.090
31 HD3 ARG 6 HD3 ARG 6 -4.518 -4.386 5.036
32 HE ARG 6 HE ARG 6 -3.367 -2.613 6.053
33 HH11 ARG 6 HH11 ARG 6 -1.398 -4.316 3.741
34 HH12 ARG 6 HH12 ARG 6 -0.211 -3.059 3.631
35 HH21 ARG 6 HH21 ARG 6 -1.810 -0.951 5.916
36 HH22 ARG 6 HH22 ARG 6 -0.446 -1.146 4.869
37 H ALA 7 H ALA 7 -4.335 -8.520 5.381
38 HA ALA 7 HA ALA 7 -3.584 -10.165 7.483
39 HB1 ALA 7 HB1 ALA 7 -5.939 -9.506 6.427
40 HB2 ALA 7 HB2 ALA 7 -5.779 -11.124 5.742
41 HB3 ALA 7 HB3 ALA 7 -5.732 -10.897 7.490
42 H HIS 8 H HIS 8 -4.064 -12.683 7.299
43 HA HIS 8 HA HIS 8 -1.866 -13.842 6.046
44 HB2 HIS 8 HB2 HIS 8 -4.352 -14.870 7.315
45 HB3 HIS 8 HB3 HIS 8 -3.443 -15.990 6.304
46 HD1 HIS 8 HD1 HIS 8 -0.779 -16.140 7.012
47 HD2 HIS 8 HD2 HIS 8 -3.461 -14.755 9.866
48 HE1 HIS 8 HE1 HIS 8 0.398 -16.395 9.220
49 H GLY 9 H GLY 9 -4.962 -13.012 4.776
50 HA2 GLY 9 HA2 GLY 9 -5.013 -12.811 2.314
51 HA3 GLY 9 HA3 GLY 9 -4.264 -14.400 2.261
52 H HIS 10 H HIS 10 -5.600 -16.101 3.561
53 HA HIS 10 HA HIS 10 -8.120 -16.303 2.261
54 HB2 HIS 10 HB2 HIS 10 -8.374 -18.364 3.701
55 HB3 HIS 10 HB3 HIS 10 -6.934 -18.329 2.687
56 HD1 HIS 10 HD1 HIS 10 -4.886 -19.021 3.869
57 HD2 HIS 10 HD2 HIS 10 -7.667 -17.354 6.467
58 HE1 HIS 10 HE1 HIS 10 -3.854 -19.189 6.156
59 H ILE 11 H ILE 11 -7.114 -14.869 5.182
60 HA ILE 11 HA ILE 11 -9.449 -15.186 6.739
61 HB ILE 11 HB ILE 11 -7.394 -12.973 6.796
62 HG12 ILE 11 HG12 ILE 11 -6.926 -15.567 7.314
63 HG13 ILE 11 HG13 ILE 11 -6.130 -14.263 8.188
64 HG21 ILE 11 HG21 ILE 11 -8.247 -12.692 9.162
65 HG22 ILE 11 HG22 ILE 11 -9.315 -12.130 7.877
66 HG23 ILE 11 HG23 ILE 11 -9.633 -13.669 8.678
67 HD11 ILE 11 HD11 ILE 11 -8.693 -15.449 9.174
68 HD12 ILE 11 HD12 ILE 11 -7.133 -16.192 9.530
69 HD13 ILE 11 HD13 ILE 11 -7.468 -14.546 10.066
70 H CYS 12 H CYS 12 -8.380 -12.555 4.596
71 HA CYS 12 HA CYS 12 -10.539 -10.840 4.951
72 HB2 CYS 12 HB2 CYS 12 -9.048 -11.261 2.356
73 HB3 CYS 12 HB3 CYS 12 -9.893 -9.805 2.872
74 H GLU 13 H GLU 13 -10.099 -13.345 2.456
75 HA GLU 13 HA GLU 13 -12.655 -13.004 1.295
76 HB2 GLU 13 HB2 GLU 13 -10.481 -15.023 1.124
77 HB3 GLU 13 HB3 GLU 13 -12.080 -15.524 0.594
78 HG2 GLU 13 HG2 GLU 13 -11.964 -13.246 -0.736
79 HG3 GLU 13 HG3 GLU 13 -10.231 -13.525 -0.578
80 H SER 14 H SER 14 -11.414 -15.236 3.748
81 HA SER 14 HA SER 14 -13.589 -16.906 4.047
82 HB2 SER 14 HB2 SER 14 -11.470 -17.265 5.222
83 HB3 SER 14 HB3 SER 14 -11.767 -15.843 6.221
84 HG SER 14 HG SER 14 -12.344 -17.949 7.152
85 H PHE 15 H PHE 15 -13.042 -13.724 5.498
86 HA PHE 15 HA PHE 15 -15.897 -13.656 6.216
87 HB2 PHE 15 HB2 PHE 15 -13.665 -12.357 7.788
88 HB3 PHE 15 HB3 PHE 15 -15.372 -12.395 8.215
89 HD1 PHE 15 HD2 PHE 15 -12.273 -14.331 8.028
90 HD2 PHE 15 HD1 PHE 15 -16.377 -14.367 9.155
91 HE1 PHE 15 HE2 PHE 15 -11.905 -16.412 9.288
92 HE2 PHE 15 HE1 PHE 15 -16.016 -16.448 10.418
93 HZ PHE 15 HZ PHE 15 -13.778 -17.474 10.484
94 H LYS 16 H LYS 16 -15.085 -12.773 3.772
95 HA LYS 16 HA LYS 16 -14.400 -10.013 3.719
96 HB2 LYS 16 HB2 LYS 16 -15.143 -10.159 1.321
97 HB3 LYS 16 HB3 LYS 16 -13.909 -11.323 1.785
98 HG2 LYS 16 HG2 LYS 16 -15.196 -13.015 1.171
99 HG3 LYS 16 HG3 LYS 16 -16.518 -12.444 2.191
100 HD2 LYS 16 HD2 LYS 16 -16.037 -11.009 -0.362
101 HD3 LYS 16 HD3 LYS 16 -16.735 -12.628 -0.456
102 HE2 LYS 16 HE2 LYS 16 -18.573 -11.982 0.938
103 HE3 LYS 16 HE3 LYS 16 -17.830 -10.420 1.280
104 HZ1 LYS 16 HZ1 LYS 16 -19.380 -11.257 -0.999
105 HZ2 LYS 16 HZ2 LYS 16 -17.962 -10.433 -1.413
106 HZ3 LYS 16 HZ3 LYS 16 -19.097 -9.702 -0.394
107 H SER 17 H SER 17 -17.425 -11.787 3.775
108 HA SER 17 HA SER 17 -19.064 -9.507 3.199
109 HB2 SER 17 HB2 SER 17 -19.572 -12.082 2.937
110 HB3 SER 17 HB3 SER 17 -20.133 -11.927 4.602
111 HG SER 17 HG SER 17 -21.756 -10.688 3.961
112 H PHE 18 H PHE 18 -17.351 -10.488 5.903
113 HA PHE 18 HA PHE 18 -19.214 -9.346 7.832
114 HB2 PHE 18 HB2 PHE 18 -16.498 -10.623 8.210
115 HB3 PHE 18 HB3 PHE 18 -17.535 -10.059 9.515
116 HD1 PHE 18 HD1 PHE 18 -17.411 -12.436 6.669
117 HD2 PHE 18 HD2 PHE 18 -19.154 -11.457 10.426
118 HE1 PHE 18 HE1 PHE 18 -18.533 -14.625 6.714
119 HE2 PHE 18 HE2 PHE 18 -20.279 -13.645 10.478
120 HZ PHE 18 HZ PHE 18 -19.968 -15.233 8.621
121 H CYS 19 H CYS 19 -17.150 -8.081 5.703
122 HA CYS 19 HA CYS 19 -15.513 -6.346 7.197
123 HB2 CYS 19 HB2 CYS 19 -16.534 -6.360 4.379
124 HB3 CYS 19 HB3 CYS 19 -15.684 -4.944 4.989
125 H LYS 20 H LYS 20 -18.859 -6.173 6.235
126 HA LYS 20 HA LYS 20 -19.079 -3.399 7.120
127 HB2 LYS 20 HB2 LYS 20 -21.425 -3.588 6.323
128 HB3 LYS 20 HB3 LYS 20 -20.238 -3.936 5.072
129 HG2 LYS 20 HG2 LYS 20 -20.756 -6.410 6.184
130 HG3 LYS 20 HG3 LYS 20 -22.331 -5.613 6.167
131 HD2 LYS 20 HD2 LYS 20 -22.112 -6.751 4.092
132 HD3 LYS 20 HD3 LYS 20 -21.889 -5.032 3.757
133 HE2 LYS 20 HE2 LYS 20 -19.500 -5.311 3.667
134 HE3 LYS 20 HE3 LYS 20 -19.636 -6.992 4.180
135 HZ1 LYS 20 HZ1 LYS 20 -21.198 -6.439 1.852
136 HZ2 LYS 20 HZ2 LYS 20 -20.036 -7.641 2.107
137 HZ3 LYS 20 HZ3 LYS 20 -19.560 -6.097 1.605
138 H ASP 21 H ASP 21 -18.641 -5.874 8.863
139 HA ASP 21 HA ASP 21 -21.035 -6.037 10.457
140 HB2 ASP 21 HB2 ASP 21 -19.233 -7.868 10.085
141 HB3 ASP 21 HB3 ASP 21 -18.336 -7.018 11.341
142 H SER 22 H SER 22 -21.569 -4.811 12.144
143 HA SER 22 HA SER 22 -19.852 -2.625 12.908
144 HB2 SER 22 HB2 SER 22 -22.667 -3.439 13.498
145 HB3 SER 22 HB3 SER 22 -21.872 -2.307 14.592
146 HG SER 22 HG SER 22 -21.735 -0.840 13.007
147 H GLY 23 H GLY 23 -18.370 -4.661 13.579
148 HA2 GLY 23 HA2 GLY 23 -18.406 -4.602 16.495
149 HA3 GLY 23 HA3 GLY 23 -18.508 -6.188 15.744
150 H ARG 24 H ARG 24 -16.500 -6.535 16.982
151 HA ARG 24 HA ARG 24 -14.120 -5.137 16.320
152 HB2 ARG 24 HB2 ARG 24 -12.968 -6.821 17.586
153 HB3 ARG 24 HB3 ARG 24 -14.471 -6.445 18.418
154 HG2 ARG 24 HG2 ARG 24 -14.631 -8.684 18.538
155 HG3 ARG 24 HG3 ARG 24 -15.296 -8.506 16.913
156 HD2 ARG 24 HD2 ARG 24 -13.710 -10.143 16.585
157 HD3 ARG 24 HD3 ARG 24 -12.803 -8.687 16.176
158 HE ARG 24 HE ARG 24 -12.265 -8.988 18.793
159 HH11 ARG 24 HH11 ARG 24 -12.139 -11.191 16.101
160 HH12 ARG 24 HH12 ARG 24 -10.847 -12.135 16.766
161 HH21 ARG 24 HH21 ARG 24 -10.565 -10.224 19.679
162 HH22 ARG 24 HH22 ARG 24 -9.953 -11.585 18.802
163 H ASN 25 H ASN 25 -15.697 -8.002 15.048
164 HA ASN 25 HA ASN 25 -13.555 -8.979 13.502
165 HB2 ASN 25 HB2 ASN 25 -16.503 -9.377 13.554
166 HB3 ASN 25 HB3 ASN 25 -15.652 -9.860 12.090
167 HD21 ASN 25 HD21 ASN 25 -16.922 -11.148 14.656
168 HD22 ASN 25 HD22 ASN 25 -15.793 -12.404 15.023
169 H GLY 26 H GLY 26 -16.104 -6.632 12.815
170 HA2 GLY 26 HA2 GLY 26 -15.529 -6.339 10.053
171 HA3 GLY 26 HA3 GLY 26 -16.425 -5.200 11.047
172 H VAL 27 H VAL 27 -14.602 -4.370 12.871
173 HA VAL 27 HA VAL 27 -13.136 -2.438 11.489
174 HB VAL 27 HB VAL 27 -12.645 -3.473 14.286
175 HG11 VAL 27 HG11 VAL 27 -11.539 -1.199 12.727
176 HG12 VAL 27 HG12 VAL 27 -11.871 -0.948 14.441
177 HG13 VAL 27 HG13 VAL 27 -10.766 -2.226 13.934
178 HG21 VAL 27 HG21 VAL 27 -14.903 -2.231 13.281
179 HG22 VAL 27 HG22 VAL 27 -14.434 -2.333 14.978
180 HG23 VAL 27 HG23 VAL 27 -13.992 -0.917 14.025
181 H LYS 28 H LYS 28 -12.052 -5.481 12.970
182 HA LYS 28 HA LYS 28 -9.325 -5.189 12.309
183 HB2 LYS 28 HB2 LYS 28 -10.992 -7.643 12.875
184 HB3 LYS 28 HB3 LYS 28 -9.247 -7.684 12.660
185 HG2 LYS 28 HG2 LYS 28 -8.833 -6.670 14.663
186 HG3 LYS 28 HG3 LYS 28 -10.376 -5.812 14.673
187 HD2 LYS 28 HD2 LYS 28 -10.944 -7.367 16.202
188 HD3 LYS 28 HD3 LYS 28 -11.228 -8.379 14.784
189 HE2 LYS 28 HE2 LYS 28 -8.453 -8.322 15.765
190 HE3 LYS 28 HE3 LYS 28 -9.624 -9.064 16.855
191 HZ1 LYS 28 HZ1 LYS 28 -9.342 -10.882 15.629
192 HZ2 LYS 28 HZ2 LYS 28 -8.557 -10.048 14.385
193 HZ3 LYS 28 HZ3 LYS 28 -10.247 -10.112 14.425
194 H LEU 29 H LEU 29 -12.083 -6.223 10.485
195 HA LEU 29 HA LEU 29 -10.640 -7.600 8.440
196 HB2 LEU 29 HB2 LEU 29 -13.430 -6.612 8.787
197 HB3 LEU 29 HB3 LEU 29 -12.880 -7.068 7.176
198 HG LEU 29 HG LEU 29 -12.716 -8.936 9.529
199 HD11 LEU 29 HD11 LEU 29 -15.065 -8.131 9.067
200 HD12 LEU 29 HD12 LEU 29 -14.805 -9.871 8.950
201 HD13 LEU 29 HD13 LEU 29 -14.921 -8.897 7.484
202 HD21 LEU 29 HD21 LEU 29 -12.905 -9.596 6.606
203 HD22 LEU 29 HD22 LEU 29 -12.363 -10.619 7.937
204 HD23 LEU 29 HD23 LEU 29 -11.360 -9.274 7.392
205 H ARG 30 H ARG 30 -12.049 -4.353 8.719
206 HA ARG 30 HA ARG 30 -11.262 -3.495 6.134
207 HB2 ARG 30 HB2 ARG 30 -11.948 -1.913 8.617
208 HB3 ARG 30 HB3 ARG 30 -11.722 -1.209 7.021
209 HG2 ARG 30 HG2 ARG 30 -13.562 -3.155 6.515
210 HG3 ARG 30 HG3 ARG 30 -14.010 -2.637 8.142
211 HD2 ARG 30 HD2 ARG 30 -13.412 -0.366 6.472
212 HD3 ARG 30 HD3 ARG 30 -14.641 -1.385 5.722
213 HE ARG 30 HE ARG 30 -15.115 -0.805 8.504
214 HH11 ARG 30 HH11 ARG 30 -15.601 0.234 5.218
215 HH12 ARG 30 HH12 ARG 30 -17.002 1.184 5.588
216 HH21 ARG 30 HH21 ARG 30 -16.958 0.443 9.004
217 HH22 ARG 30 HH22 ARG 30 -17.772 1.303 7.742
218 H ALA 31 H ALA 31 -9.531 -3.971 9.021
219 HA ALA 31 HA ALA 31 -7.442 -2.052 8.378
220 HB1 ALA 31 HB1 ALA 31 -8.171 -2.468 10.726
221 HB2 ALA 31 HB2 ALA 31 -7.480 -4.086 10.601
222 HB3 ALA 31 HB3 ALA 31 -6.439 -2.670 10.460
223 H ASN 32 H ASN 32 -7.647 -5.581 8.874
224 HA ASN 32 HA ASN 32 -5.055 -6.015 7.715
225 HB2 ASN 32 HB2 ASN 32 -7.220 -8.014 8.406
226 HB3 ASN 32 HB3 ASN 32 -5.540 -8.395 8.038
227 HD21 ASN 32 HD21 ASN 32 -7.615 -8.206 10.475
228 HD22 ASN 32 HD22 ASN 32 -6.561 -7.749 11.766
229 H CYS 33 H CYS 33 -8.134 -5.505 6.463
230 HA CYS 33 HA CYS 33 -7.247 -6.407 3.826
231 HB2 CYS 33 HB2 CYS 33 -10.068 -6.964 4.704
232 HB3 CYS 33 HB3 CYS 33 -9.181 -7.649 3.346
233 H LYS 34 H LYS 34 -6.972 -3.939 4.066
234 HA LYS 34 HA LYS 34 -9.220 -2.242 4.022
235 HB2 LYS 34 HB2 LYS 34 -6.602 -1.650 2.652
236 HB3 LYS 34 HB3 LYS 34 -7.729 -0.511 3.377
237 HG2 LYS 34 HG2 LYS 34 -7.098 -2.067 5.512
238 HG3 LYS 34 HG3 LYS 34 -5.586 -2.086 4.601
239 HD2 LYS 34 HD2 LYS 34 -6.706 0.571 4.680
240 HD3 LYS 34 HD3 LYS 34 -6.511 -0.077 6.311
241 HE2 LYS 34 HE2 LYS 34 -4.240 -0.162 6.151
242 HE3 LYS 34 HE3 LYS 34 -4.264 -0.455 4.413
243 HZ1 LYS 34 HZ1 LYS 34 -4.719 2.137 5.785
244 HZ2 LYS 34 HZ2 LYS 34 -4.928 1.894 4.125
245 HZ3 LYS 34 HZ3 LYS 34 -3.395 1.717 4.819
246 H LYS 35 H LYS 35 -7.911 -4.334 1.661
247 HA LYS 35 HA LYS 35 -9.178 -2.923 -0.558
248 HB2 LYS 35 HB2 LYS 35 -6.966 -3.808 -0.984
249 HB3 LYS 35 HB3 LYS 35 -7.466 -5.412 -0.466
250 HG2 LYS 35 HG2 LYS 35 -9.243 -4.702 -2.501
251 HG3 LYS 35 HG3 LYS 35 -7.649 -4.188 -3.057
252 HD2 LYS 35 HD2 LYS 35 -6.966 -6.297 -3.364
253 HD3 LYS 35 HD3 LYS 35 -7.623 -6.822 -1.812
254 HE2 LYS 35 HE2 LYS 35 -9.612 -7.460 -2.717
255 HE3 LYS 35 HE3 LYS 35 -9.559 -6.228 -3.977
256 HZ1 LYS 35 HZ1 LYS 35 -9.281 -8.605 -4.718
257 HZ2 LYS 35 HZ2 LYS 35 -7.758 -8.577 -3.985
258 HZ3 LYS 35 HZ3 LYS 35 -8.101 -7.521 -5.261
259 H THR 36 H THR 36 -9.203 -6.225 0.793
260 HA THR 36 HA THR 36 -11.305 -7.271 -0.642
261 HB THR 36 HB THR 36 -10.795 -7.832 2.285
262 HG1 THR 36 HG1 THR 36 -8.873 -8.272 1.382
263 HG21 THR 36 HG21 THR 36 -11.803 -9.728 0.175
264 HG22 THR 36 HG22 THR 36 -12.891 -8.741 1.151
265 HG23 THR 36 HG23 THR 36 -11.834 -9.920 1.927
266 H CYS 37 H CYS 37 -11.392 -5.038 2.040
267 HA CYS 37 HA CYS 37 -14.260 -5.290 2.378
268 HB2 CYS 37 HB2 CYS 37 -12.198 -3.494 3.663
269 HB3 CYS 37 HB3 CYS 37 -13.917 -3.413 4.033
270 H GLY 38 H GLY 38 -11.967 -3.170 0.808
271 HA2 GLY 38 HA2 GLY 38 -12.538 -1.818 -1.051
272 HA3 GLY 38 HA3 GLY 38 -14.206 -1.807 -0.499
273 H LEU 39 H LEU 39 -10.977 -0.545 0.192
274 HA LEU 39 HA LEU 39 -12.248 1.879 1.258
275 HB2 LEU 39 HB2 LEU 39 -9.915 0.396 2.453
276 HB3 LEU 39 HB3 LEU 39 -10.385 2.030 2.915
277 HG LEU 39 HG LEU 39 -12.443 -0.103 3.117
278 HD11 LEU 39 HD11 LEU 39 -11.326 -1.390 4.531
279 HD12 LEU 39 HD12 LEU 39 -11.056 -0.002 5.586
280 HD13 LEU 39 HD13 LEU 39 -9.887 -0.390 4.323
281 HD21 LEU 39 HD21 LEU 39 -11.707 2.131 4.997
282 HD22 LEU 39 HD22 LEU 39 -13.210 1.210 4.942
283 HD23 LEU 39 HD23 LEU 39 -12.812 2.328 3.636
284 H CYS 40 H CYS 40 -10.517 0.696 -1.154
285 HA CYS 40 HA CYS 40 -8.256 2.413 -1.284
286 HB2 CYS 40 HB2 CYS 40 -9.662 1.150 -3.638
287 HB3 CYS 40 HB3 CYS 40 -7.967 1.610 -3.512
Start of MODEL 13
1 H1 ALA 1 H ALA 1 0.693 5.858 3.756
2 HA ALA 1 HA ALA 1 -1.655 4.580 4.287
3 HB1 ALA 1 HB1 ALA 1 -1.269 7.060 4.015
4 HB2 ALA 1 HB2 ALA 1 -1.482 6.815 2.281
5 HB3 ALA 1 HB3 ALA 1 -2.801 6.446 3.393
6 H ALA 2 H ALA 2 -0.133 2.892 2.533
7 HA ALA 2 HA ALA 2 -1.424 2.839 -0.034
8 HB1 ALA 2 HB1 ALA 2 0.833 2.059 0.097
9 HB2 ALA 2 HB2 ALA 2 0.409 0.879 1.338
10 HB3 ALA 2 HB3 ALA 2 -0.197 0.686 -0.307
11 H CYS 3 H CYS 3 -3.200 1.754 -0.630
12 HA CYS 3 HA CYS 3 -4.634 0.251 1.424
13 HB2 CYS 3 HB2 CYS 3 -5.949 1.945 0.354
14 HB3 CYS 3 HB3 CYS 3 -5.482 1.379 -1.246
15 H SER 4 H SER 4 -4.693 -1.893 1.441
16 HA SER 4 HA SER 4 -4.995 -3.548 -0.786
17 HB2 SER 4 HB2 SER 4 -2.588 -4.620 -0.486
18 HB3 SER 4 HB3 SER 4 -2.853 -3.275 -1.595
19 HG SER 4 HG SER 4 -1.069 -3.240 0.141
20 H ASP 5 H ASP 5 -4.079 -5.912 -0.127
21 HA ASP 5 HA ASP 5 -5.298 -6.418 2.471
22 HB2 ASP 5 HB2 ASP 5 -4.299 -8.518 0.557
23 HB3 ASP 5 HB3 ASP 5 -5.554 -8.661 1.785
24 H ARG 6 H ARG 6 -4.216 -7.026 4.244
25 HA ARG 6 HA ARG 6 -1.341 -7.610 3.960
26 HB2 ARG 6 HB2 ARG 6 -1.413 -6.753 6.474
27 HB3 ARG 6 HB3 ARG 6 -1.235 -5.644 5.121
28 HG2 ARG 6 HG2 ARG 6 -3.964 -6.302 6.121
29 HG3 ARG 6 HG3 ARG 6 -2.958 -5.159 7.012
30 HD2 ARG 6 HD2 ARG 6 -3.161 -4.783 4.081
31 HD3 ARG 6 HD3 ARG 6 -4.598 -4.420 5.036
32 HE ARG 6 HE ARG 6 -3.432 -2.679 6.093
33 HH11 ARG 6 HH11 ARG 6 -1.485 -4.339 3.732
34 HH12 ARG 6 HH12 ARG 6 -0.291 -3.087 3.644
35 HH21 ARG 6 HH21 ARG 6 -1.866 -1.023 5.986
36 HH22 ARG 6 HH22 ARG 6 -0.508 -1.202 4.928
37 H ALA 7 H ALA 7 -4.378 -8.568 5.295
38 HA ALA 7 HA ALA 7 -3.629 -10.260 7.358
39 HB1 ALA 7 HB1 ALA 7 -5.812 -11.176 5.574
40 HB2 ALA 7 HB2 ALA 7 -5.771 -11.018 7.330
41 HB3 ALA 7 HB3 ALA 7 -5.983 -9.588 6.321
42 H HIS 8 H HIS 8 -4.062 -12.769 7.134
43 HA HIS 8 HA HIS 8 -1.863 -13.876 5.833
44 HB2 HIS 8 HB2 HIS 8 -4.307 -14.959 7.134
45 HB3 HIS 8 HB3 HIS 8 -3.402 -16.052 6.091
46 HD1 HIS 8 HD1 HIS 8 -1.887 -17.442 7.444
47 HD2 HIS 8 HD2 HIS 8 -2.197 -13.587 8.965
48 HE1 HIS 8 HE1 HIS 8 -0.367 -17.385 9.447
49 H GLY 9 H GLY 9 -4.993 -13.081 4.627
50 HA2 GLY 9 HA2 GLY 9 -5.106 -12.850 2.175
51 HA3 GLY 9 HA3 GLY 9 -4.311 -14.414 2.079
52 H HIS 10 H HIS 10 -5.587 -16.144 3.461
53 HA HIS 10 HA HIS 10 -8.115 -16.424 2.175
54 HB2 HIS 10 HB2 HIS 10 -6.961 -18.073 4.433
55 HB3 HIS 10 HB3 HIS 10 -8.273 -18.544 3.357
56 HD1 HIS 10 HD1 HIS 10 -4.566 -18.272 3.545
57 HD2 HIS 10 HD2 HIS 10 -7.471 -19.329 0.770
58 HE1 HIS 10 HE1 HIS 10 -3.325 -19.391 1.665
59 H ILE 11 H ILE 11 -7.104 -14.968 5.082
60 HA ILE 11 HA ILE 11 -9.422 -15.356 6.661
61 HB ILE 11 HB ILE 11 -7.401 -13.113 6.744
62 HG12 ILE 11 HG12 ILE 11 -6.927 -15.738 7.222
63 HG13 ILE 11 HG13 ILE 11 -6.075 -14.428 8.033
64 HG21 ILE 11 HG21 ILE 11 -9.579 -13.910 8.663
65 HG22 ILE 11 HG22 ILE 11 -8.226 -12.871 9.108
66 HG23 ILE 11 HG23 ILE 11 -9.357 -12.357 7.857
67 HD11 ILE 11 HD11 ILE 11 -7.430 -14.626 9.960
68 HD12 ILE 11 HD12 ILE 11 -8.560 -15.702 9.136
69 HD13 ILE 11 HD13 ILE 11 -6.929 -16.257 9.514
70 H CYS 12 H CYS 12 -8.439 -12.794 4.419
71 HA CYS 12 HA CYS 12 -10.602 -11.065 4.856
72 HB2 CYS 12 HB2 CYS 12 -9.165 -11.433 2.225
73 HB3 CYS 12 HB3 CYS 12 -9.968 -9.982 2.816
74 H GLU 13 H GLU 13 -10.153 -13.597 2.396
75 HA GLU 13 HA GLU 13 -12.727 -13.269 1.244
76 HB2 GLU 13 HB2 GLU 13 -12.261 -15.434 0.136
77 HB3 GLU 13 HB3 GLU 13 -10.941 -14.285 -0.033
78 HG2 GLU 13 HG2 GLU 13 -9.807 -15.431 1.873
79 HG3 GLU 13 HG3 GLU 13 -11.071 -16.657 1.808
80 H SER 14 H SER 14 -11.402 -15.576 3.593
81 HA SER 14 HA SER 14 -13.577 -17.240 3.914
82 HB2 SER 14 HB2 SER 14 -11.446 -16.316 5.824
83 HB3 SER 14 HB3 SER 14 -12.722 -17.408 6.360
84 HG SER 14 HG SER 14 -11.136 -17.926 4.075
85 H PHE 15 H PHE 15 -13.091 -13.996 5.112
86 HA PHE 15 HA PHE 15 -15.860 -13.998 6.087
87 HB2 PHE 15 HB2 PHE 15 -13.517 -12.755 7.543
88 HB3 PHE 15 HB3 PHE 15 -15.206 -12.638 8.027
89 HD1 PHE 15 HD1 PHE 15 -16.425 -14.758 8.655
90 HD2 PHE 15 HD2 PHE 15 -12.198 -14.567 8.200
91 HE1 PHE 15 HE1 PHE 15 -16.194 -16.827 9.967
92 HE2 PHE 15 HE2 PHE 15 -11.959 -16.636 9.510
93 HZ PHE 15 HZ PHE 15 -13.959 -17.769 10.395
94 H LYS 16 H LYS 16 -15.112 -13.109 3.598
95 HA LYS 16 HA LYS 16 -14.528 -10.319 3.553
96 HB2 LYS 16 HB2 LYS 16 -15.243 -10.492 1.150
97 HB3 LYS 16 HB3 LYS 16 -13.965 -11.605 1.621
98 HG2 LYS 16 HG2 LYS 16 -15.180 -13.365 1.041
99 HG3 LYS 16 HG3 LYS 16 -16.562 -12.803 1.984
100 HD2 LYS 16 HD2 LYS 16 -16.000 -11.417 -0.579
101 HD3 LYS 16 HD3 LYS 16 -16.647 -13.058 -0.667
102 HE2 LYS 16 HE2 LYS 16 -18.647 -12.063 -0.484
103 HE3 LYS 16 HE3 LYS 16 -18.249 -11.928 1.228
104 HZ1 LYS 16 HZ1 LYS 16 -18.740 -9.867 -0.563
105 HZ2 LYS 16 HZ2 LYS 16 -17.093 -9.781 -0.186
106 HZ3 LYS 16 HZ3 LYS 16 -18.247 -9.735 1.050
107 H SER 17 H SER 17 -17.454 -12.224 3.676
108 HA SER 17 HA SER 17 -19.222 -10.072 3.020
109 HB2 SER 17 HB2 SER 17 -19.516 -12.884 3.951
110 HB3 SER 17 HB3 SER 17 -20.870 -11.791 4.240
111 HG SER 17 HG SER 17 -20.802 -11.302 1.976
112 H PHE 18 H PHE 18 -17.399 -10.774 5.731
113 HA PHE 18 HA PHE 18 -19.285 -9.501 7.579
114 HB2 PHE 18 HB2 PHE 18 -16.645 -10.858 8.162
115 HB3 PHE 18 HB3 PHE 18 -17.790 -10.263 9.359
116 HD1 PHE 18 HD2 PHE 18 -17.320 -12.755 6.670
117 HD2 PHE 18 HD1 PHE 18 -19.603 -11.575 10.063
118 HE1 PHE 18 HE2 PHE 18 -18.458 -14.937 6.659
119 HE2 PHE 18 HE1 PHE 18 -20.744 -13.756 10.058
120 HZ PHE 18 HZ PHE 18 -20.173 -15.439 8.354
121 H CYS 19 H CYS 19 -17.354 -8.340 5.407
122 HA CYS 19 HA CYS 19 -15.483 -6.721 6.769
123 HB2 CYS 19 HB2 CYS 19 -16.659 -6.787 4.035
124 HB3 CYS 19 HB3 CYS 19 -15.868 -5.298 4.542
125 H LYS 20 H LYS 20 -18.885 -6.436 6.241
126 HA LYS 20 HA LYS 20 -18.876 -3.631 7.090
127 HB2 LYS 20 HB2 LYS 20 -21.312 -3.721 6.500
128 HB3 LYS 20 HB3 LYS 20 -20.222 -4.009 5.150
129 HG2 LYS 20 HG2 LYS 20 -21.237 -5.925 4.726
130 HG3 LYS 20 HG3 LYS 20 -20.830 -6.514 6.340
131 HD2 LYS 20 HD2 LYS 20 -23.173 -6.659 6.211
132 HD3 LYS 20 HD3 LYS 20 -22.858 -5.199 7.151
133 HE2 LYS 20 HE2 LYS 20 -24.331 -4.278 5.714
134 HE3 LYS 20 HE3 LYS 20 -22.918 -4.162 4.665
135 HZ1 LYS 20 HZ1 LYS 20 -24.561 -5.139 3.356
136 HZ2 LYS 20 HZ2 LYS 20 -25.095 -6.160 4.594
137 HZ3 LYS 20 HZ3 LYS 20 -23.607 -6.449 3.843
138 H ASP 21 H ASP 21 -18.385 -6.059 8.813
139 HA ASP 21 HA ASP 21 -20.675 -6.204 10.554
140 HB2 ASP 21 HB2 ASP 21 -18.855 -8.020 10.077
141 HB3 ASP 21 HB3 ASP 21 -17.945 -7.174 11.325
142 H SER 22 H SER 22 -20.944 -5.269 12.538
143 HA SER 22 HA SER 22 -19.435 -2.865 13.031
144 HB2 SER 22 HB2 SER 22 -21.779 -2.700 13.418
145 HB3 SER 22 HB3 SER 22 -21.788 -4.151 14.419
146 HG SER 22 HG SER 22 -20.939 -1.558 15.036
147 H GLY 23 H GLY 23 -19.413 -6.119 14.160
148 HA2 GLY 23 HA2 GLY 23 -18.162 -5.620 16.685
149 HA3 GLY 23 HA3 GLY 23 -18.286 -7.174 15.874
150 H ARG 24 H ARG 24 -16.027 -6.998 17.058
151 HA ARG 24 HA ARG 24 -13.933 -5.542 15.936
152 HB2 ARG 24 HB2 ARG 24 -13.701 -8.325 17.084
153 HB3 ARG 24 HB3 ARG 24 -12.449 -7.093 17.014
154 HG2 ARG 24 HG2 ARG 24 -14.492 -5.862 18.402
155 HG3 ARG 24 HG3 ARG 24 -14.523 -7.526 18.989
156 HD2 ARG 24 HD2 ARG 24 -12.309 -7.418 19.746
157 HD3 ARG 24 HD3 ARG 24 -11.959 -5.983 18.784
158 HE ARG 24 HE ARG 24 -13.074 -6.057 21.409
159 HH11 ARG 24 HH11 ARG 24 -13.042 -4.266 18.424
160 HH12 ARG 24 HH12 ARG 24 -13.463 -2.761 19.171
161 HH21 ARG 24 HH21 ARG 24 -13.628 -4.081 22.404
162 HH22 ARG 24 HH22 ARG 24 -13.795 -2.656 21.435
163 H ASN 25 H ASN 25 -15.321 -8.644 14.997
164 HA ASN 25 HA ASN 25 -13.437 -9.546 13.198
165 HB2 ASN 25 HB2 ASN 25 -16.383 -9.861 13.464
166 HB3 ASN 25 HB3 ASN 25 -15.657 -10.350 11.936
167 HD21 ASN 25 HD21 ASN 25 -16.669 -12.392 12.915
168 HD22 ASN 25 HD22 ASN 25 -15.594 -13.390 13.829
169 H GLY 26 H GLY 26 -16.058 -7.219 12.652
170 HA2 GLY 26 HA2 GLY 26 -15.547 -6.876 9.877
171 HA3 GLY 26 HA3 GLY 26 -16.483 -5.793 10.898
172 H VAL 27 H VAL 27 -14.635 -4.944 12.722
173 HA VAL 27 HA VAL 27 -13.310 -2.896 11.362
174 HB VAL 27 HB VAL 27 -12.541 -3.965 14.079
175 HG11 VAL 27 HG11 VAL 27 -11.986 -1.546 14.467
176 HG12 VAL 27 HG12 VAL 27 -10.949 -2.374 13.303
177 HG13 VAL 27 HG13 VAL 27 -12.219 -1.288 12.738
178 HG21 VAL 27 HG21 VAL 27 -14.159 -2.236 14.925
179 HG22 VAL 27 HG22 VAL 27 -14.774 -2.108 13.277
180 HG23 VAL 27 HG23 VAL 27 -14.897 -3.637 14.147
181 H LYS 28 H LYS 28 -12.033 -5.928 12.706
182 HA LYS 28 HA LYS 28 -9.347 -5.485 11.975
183 HB2 LYS 28 HB2 LYS 28 -10.869 -8.047 12.472
184 HB3 LYS 28 HB3 LYS 28 -9.127 -7.973 12.242
185 HG2 LYS 28 HG2 LYS 28 -10.631 -6.550 14.428
186 HG3 LYS 28 HG3 LYS 28 -9.796 -8.095 14.611
187 HD2 LYS 28 HD2 LYS 28 -8.051 -6.150 13.410
188 HD3 LYS 28 HD3 LYS 28 -8.723 -5.521 14.916
189 HE2 LYS 28 HE2 LYS 28 -7.708 -8.313 14.896
190 HE3 LYS 28 HE3 LYS 28 -6.526 -7.006 14.864
191 HZ1 LYS 28 HZ1 LYS 28 -7.874 -6.091 16.827
192 HZ2 LYS 28 HZ2 LYS 28 -6.836 -7.397 17.107
193 HZ3 LYS 28 HZ3 LYS 28 -8.501 -7.658 16.954
194 H LEU 29 H LEU 29 -12.105 -6.656 10.209
195 HA LEU 29 HA LEU 29 -10.675 -7.873 8.073
196 HB2 LEU 29 HB2 LEU 29 -13.485 -6.976 8.513
197 HB3 LEU 29 HB3 LEU 29 -12.958 -7.379 6.880
198 HG LEU 29 HG LEU 29 -12.707 -9.291 9.192
199 HD11 LEU 29 HD11 LEU 29 -15.069 -8.631 8.860
200 HD12 LEU 29 HD12 LEU 29 -14.758 -10.325 8.483
201 HD13 LEU 29 HD13 LEU 29 -14.946 -9.153 7.180
202 HD21 LEU 29 HD21 LEU 29 -11.350 -9.547 7.048
203 HD22 LEU 29 HD22 LEU 29 -12.887 -9.894 6.255
204 HD23 LEU 29 HD23 LEU 29 -12.315 -10.931 7.563
205 H ARG 30 H ARG 30 -12.214 -4.693 8.464
206 HA ARG 30 HA ARG 30 -11.470 -3.734 5.899
207 HB2 ARG 30 HB2 ARG 30 -12.240 -2.244 8.414
208 HB3 ARG 30 HB3 ARG 30 -12.057 -1.500 6.832
209 HG2 ARG 30 HG2 ARG 30 -13.791 -3.508 6.267
210 HG3 ARG 30 HG3 ARG 30 -14.251 -3.105 7.922
211 HD2 ARG 30 HD2 ARG 30 -13.811 -0.723 6.354
212 HD3 ARG 30 HD3 ARG 30 -14.999 -1.775 5.586
213 HE ARG 30 HE ARG 30 -15.449 -1.365 8.397
214 HH11 ARG 30 HH11 ARG 30 -16.026 -0.141 5.189
215 HH12 ARG 30 HH12 ARG 30 -17.455 0.729 5.637
216 HH21 ARG 30 HH21 ARG 30 -17.330 -0.224 8.999
217 HH22 ARG 30 HH22 ARG 30 -18.196 0.682 7.804
218 H ALA 31 H ALA 31 -9.717 -4.216 8.763
219 HA ALA 31 HA ALA 31 -7.713 -2.190 8.132
220 HB1 ALA 31 HB1 ALA 31 -8.428 -2.508 10.472
221 HB2 ALA 31 HB2 ALA 31 -7.779 -4.148 10.424
222 HB3 ALA 31 HB3 ALA 31 -6.698 -2.766 10.246
223 H ASN 32 H ASN 32 -7.818 -5.711 8.699
224 HA ASN 32 HA ASN 32 -5.180 -6.082 7.617
225 HB2 ASN 32 HB2 ASN 32 -7.306 -8.108 8.351
226 HB3 ASN 32 HB3 ASN 32 -5.633 -8.487 7.953
227 HD21 ASN 32 HD21 ASN 32 -7.645 -8.282 10.432
228 HD22 ASN 32 HD22 ASN 32 -6.569 -7.785 11.690
229 H CYS 33 H CYS 33 -8.220 -5.664 6.271
230 HA CYS 33 HA CYS 33 -7.253 -6.623 3.684
231 HB2 CYS 33 HB2 CYS 33 -10.077 -7.224 4.536
232 HB3 CYS 33 HB3 CYS 33 -9.172 -7.896 3.182
233 H LYS 34 H LYS 34 -7.062 -4.114 3.973
234 HA LYS 34 HA LYS 34 -9.330 -2.480 3.795
235 HB2 LYS 34 HB2 LYS 34 -6.679 -1.877 2.491
236 HB3 LYS 34 HB3 LYS 34 -7.857 -0.733 3.122
237 HG2 LYS 34 HG2 LYS 34 -7.279 -2.210 5.337
238 HG3 LYS 34 HG3 LYS 34 -5.729 -2.193 4.492
239 HD2 LYS 34 HD2 LYS 34 -5.446 0.041 4.777
240 HD3 LYS 34 HD3 LYS 34 -7.173 0.383 4.657
241 HE2 LYS 34 HE2 LYS 34 -7.481 0.223 6.876
242 HE3 LYS 34 HE3 LYS 34 -6.411 -1.170 7.021
243 HZ1 LYS 34 HZ1 LYS 34 -4.725 0.884 6.449
244 HZ2 LYS 34 HZ2 LYS 34 -5.003 0.236 7.986
245 HZ3 LYS 34 HZ3 LYS 34 -5.859 1.603 7.478
246 H LYS 35 H LYS 35 -7.898 -4.575 1.501
247 HA LYS 35 HA LYS 35 -9.109 -3.238 -0.785
248 HB2 LYS 35 HB2 LYS 35 -6.812 -4.379 -0.798
249 HB3 LYS 35 HB3 LYS 35 -7.697 -5.898 -0.818
250 HG2 LYS 35 HG2 LYS 35 -7.160 -5.429 -3.057
251 HG3 LYS 35 HG3 LYS 35 -8.873 -5.040 -2.883
252 HD2 LYS 35 HD2 LYS 35 -7.455 -2.696 -2.242
253 HD3 LYS 35 HD3 LYS 35 -6.700 -3.352 -3.697
254 HE2 LYS 35 HE2 LYS 35 -9.657 -2.871 -3.345
255 HE3 LYS 35 HE3 LYS 35 -8.551 -1.785 -4.183
256 HZ1 LYS 35 HZ1 LYS 35 -8.091 -3.506 -5.786
257 HZ2 LYS 35 HZ2 LYS 35 -9.760 -3.245 -5.707
258 HZ3 LYS 35 HZ3 LYS 35 -9.080 -4.602 -4.960
259 H THR 36 H THR 36 -9.231 -6.495 0.666
260 HA THR 36 HA THR 36 -11.313 -7.544 -0.804
261 HB THR 36 HB THR 36 -10.866 -8.045 2.144
262 HG1 THR 36 HG1 THR 36 -9.637 -9.197 -0.156
263 HG21 THR 36 HG21 THR 36 -11.672 -10.366 1.404
264 HG22 THR 36 HG22 THR 36 -12.271 -9.553 -0.042
265 HG23 THR 36 HG23 THR 36 -12.880 -9.090 1.547
266 H CYS 37 H CYS 37 -11.420 -5.199 1.763
267 HA CYS 37 HA CYS 37 -14.323 -5.391 1.984
268 HB2 CYS 37 HB2 CYS 37 -12.306 -3.682 3.453
269 HB3 CYS 37 HB3 CYS 37 -14.040 -3.651 3.754
270 H GLY 38 H GLY 38 -11.855 -3.402 0.555
271 HA2 GLY 38 HA2 GLY 38 -12.143 -1.861 -1.170
272 HA3 GLY 38 HA3 GLY 38 -13.880 -1.938 -0.915
273 H LEU 39 H LEU 39 -10.875 -0.522 0.234
274 HA LEU 39 HA LEU 39 -12.448 1.690 1.368
275 HB2 LEU 39 HB2 LEU 39 -10.014 0.373 2.557
276 HB3 LEU 39 HB3 LEU 39 -10.670 1.911 3.112
277 HG LEU 39 HG LEU 39 -12.503 -0.424 3.073
278 HD11 LEU 39 HD11 LEU 39 -11.408 -1.680 4.537
279 HD12 LEU 39 HD12 LEU 39 -11.101 -0.293 5.582
280 HD13 LEU 39 HD13 LEU 39 -9.989 -0.667 4.265
281 HD21 LEU 39 HD21 LEU 39 -13.609 1.378 3.907
282 HD22 LEU 39 HD22 LEU 39 -12.143 2.127 4.542
283 HD23 LEU 39 HD23 LEU 39 -12.894 0.785 5.407
284 H CYS 40 H CYS 40 -10.374 0.813 -0.969
285 HA CYS 40 HA CYS 40 -8.403 2.858 -0.872
286 HB2 CYS 40 HB2 CYS 40 -9.390 1.454 -3.355
287 HB3 CYS 40 HB3 CYS 40 -7.807 2.174 -3.082
Start of MODEL 14
1 H1 ALA 1 H ALA 1 -1.552 7.486 0.884
2 HA ALA 1 HA ALA 1 -3.282 5.709 1.910
3 HB1 ALA 1 HB1 ALA 1 -4.873 6.447 0.411
4 HB2 ALA 1 HB2 ALA 1 -3.679 7.743 0.339
5 HB3 ALA 1 HB3 ALA 1 -3.730 6.520 -0.930
6 H ALA 2 H ALA 2 -1.211 4.027 1.478
7 HA ALA 2 HA ALA 2 -1.509 2.441 -0.878
8 HB1 ALA 2 HB1 ALA 2 0.614 2.554 0.309
9 HB2 ALA 2 HB2 ALA 2 -0.123 1.801 1.724
10 HB3 ALA 2 HB3 ALA 2 0.033 0.891 0.221
11 H CYS 3 H CYS 3 -3.477 1.537 -1.169
12 HA CYS 3 HA CYS 3 -4.756 0.144 1.063
13 HB2 CYS 3 HB2 CYS 3 -6.235 1.601 -0.131
14 HB3 CYS 3 HB3 CYS 3 -5.739 0.931 -1.682
15 H SER 4 H SER 4 -4.750 -2.000 1.255
16 HA SER 4 HA SER 4 -4.811 -3.836 -0.867
17 HB2 SER 4 HB2 SER 4 -2.113 -3.024 0.092
18 HB3 SER 4 HB3 SER 4 -2.381 -4.743 -0.197
19 HG SER 4 HG SER 4 -3.323 -3.867 -2.299
20 H ASP 5 H ASP 5 -3.813 -6.088 0.080
21 HA ASP 5 HA ASP 5 -5.171 -6.404 2.660
22 HB2 ASP 5 HB2 ASP 5 -4.265 -8.713 0.979
23 HB3 ASP 5 HB3 ASP 5 -5.640 -8.603 2.075
24 H ARG 6 H ARG 6 -4.110 -6.959 4.462
25 HA ARG 6 HA ARG 6 -1.254 -7.640 4.208
26 HB2 ARG 6 HB2 ARG 6 -1.319 -6.731 6.700
27 HB3 ARG 6 HB3 ARG 6 -1.126 -5.649 5.327
28 HG2 ARG 6 HG2 ARG 6 -3.871 -6.248 6.307
29 HG3 ARG 6 HG3 ARG 6 -2.854 -5.134 7.223
30 HD2 ARG 6 HD2 ARG 6 -3.096 -4.775 4.275
31 HD3 ARG 6 HD3 ARG 6 -4.436 -4.273 5.304
32 HE ARG 6 HE ARG 6 -2.254 -3.140 6.465
33 HH11 ARG 6 HH11 ARG 6 -3.607 -3.096 3.258
34 HH12 ARG 6 HH12 ARG 6 -3.029 -1.504 2.895
35 HH21 ARG 6 HH21 ARG 6 -1.487 -1.043 5.999
36 HH22 ARG 6 HH22 ARG 6 -1.822 -0.337 4.454
37 H ALA 7 H ALA 7 -4.317 -8.521 5.531
38 HA ALA 7 HA ALA 7 -3.614 -10.184 7.635
39 HB1 ALA 7 HB1 ALA 7 -5.948 -9.499 6.499
40 HB2 ALA 7 HB2 ALA 7 -5.792 -11.149 5.893
41 HB3 ALA 7 HB3 ALA 7 -5.775 -10.842 7.630
42 H HIS 8 H HIS 8 -4.126 -12.696 7.430
43 HA HIS 8 HA HIS 8 -1.925 -13.885 6.227
44 HB2 HIS 8 HB2 HIS 8 -4.473 -14.878 7.394
45 HB3 HIS 8 HB3 HIS 8 -3.555 -16.003 6.398
46 HD1 HIS 8 HD1 HIS 8 -3.555 -14.322 9.700
47 HD2 HIS 8 HD2 HIS 8 -1.021 -16.730 7.456
48 HE1 HIS 8 HE1 HIS 8 -1.790 -15.119 11.304
49 H GLY 9 H GLY 9 -4.984 -13.012 4.875
50 HA2 GLY 9 HA2 GLY 9 -4.973 -12.759 2.422
51 HA3 GLY 9 HA3 GLY 9 -4.196 -14.334 2.351
52 H HIS 10 H HIS 10 -5.590 -16.015 3.747
53 HA HIS 10 HA HIS 10 -8.058 -16.249 2.311
54 HB2 HIS 10 HB2 HIS 10 -6.629 -17.935 4.343
55 HB3 HIS 10 HB3 HIS 10 -8.289 -18.308 3.888
56 HD1 HIS 10 HD1 HIS 10 -8.179 -20.242 2.355
57 HD2 HIS 10 HD2 HIS 10 -5.213 -17.450 1.535
58 HE1 HIS 10 HE1 HIS 10 -6.997 -21.098 0.307
59 H ILE 11 H ILE 11 -7.136 -14.846 5.267
60 HA ILE 11 HA ILE 11 -9.505 -15.234 6.767
61 HB ILE 11 HB ILE 11 -7.456 -13.022 6.933
62 HG12 ILE 11 HG12 ILE 11 -7.095 -15.671 7.456
63 HG13 ILE 11 HG13 ILE 11 -6.207 -14.374 8.249
64 HG21 ILE 11 HG21 ILE 11 -9.438 -12.214 7.957
65 HG22 ILE 11 HG22 ILE 11 -9.733 -13.756 8.757
66 HG23 ILE 11 HG23 ILE 11 -8.375 -12.748 9.259
67 HD11 ILE 11 HD11 ILE 11 -8.768 -15.488 9.345
68 HD12 ILE 11 HD12 ILE 11 -7.181 -16.145 9.747
69 HD13 ILE 11 HD13 ILE 11 -7.576 -14.477 10.161
70 H CYS 12 H CYS 12 -8.401 -12.548 4.713
71 HA CYS 12 HA CYS 12 -10.581 -10.854 5.062
72 HB2 CYS 12 HB2 CYS 12 -9.029 -11.188 2.490
73 HB3 CYS 12 HB3 CYS 12 -9.881 -9.750 3.042
74 H GLU 13 H GLU 13 -10.060 -13.322 2.548
75 HA GLU 13 HA GLU 13 -12.591 -12.956 1.321
76 HB2 GLU 13 HB2 GLU 13 -12.102 -15.073 0.161
77 HB3 GLU 13 HB3 GLU 13 -10.740 -13.962 0.107
78 HG2 GLU 13 HG2 GLU 13 -9.735 -15.207 2.013
79 HG3 GLU 13 HG3 GLU 13 -11.042 -16.381 1.867
80 H SER 14 H SER 14 -11.370 -15.281 3.701
81 HA SER 14 HA SER 14 -13.531 -16.974 3.906
82 HB2 SER 14 HB2 SER 14 -11.473 -16.036 5.868
83 HB3 SER 14 HB3 SER 14 -12.811 -17.032 6.440
84 HG SER 14 HG SER 14 -11.087 -17.723 4.293
85 H PHE 15 H PHE 15 -13.118 -13.763 5.278
86 HA PHE 15 HA PHE 15 -15.973 -13.763 5.966
87 HB2 PHE 15 HB2 PHE 15 -13.851 -12.510 7.714
88 HB3 PHE 15 HB3 PHE 15 -15.570 -12.657 8.062
89 HD1 PHE 15 HD2 PHE 15 -16.536 -14.940 8.454
90 HD2 PHE 15 HD1 PHE 15 -12.346 -14.219 8.270
91 HE1 PHE 15 HE2 PHE 15 -16.122 -17.077 9.600
92 HE2 PHE 15 HE1 PHE 15 -11.924 -16.356 9.414
93 HZ PHE 15 HZ PHE 15 -13.813 -17.787 10.082
94 H LYS 16 H LYS 16 -15.099 -12.761 3.616
95 HA LYS 16 HA LYS 16 -14.399 -9.996 3.749
96 HB2 LYS 16 HB2 LYS 16 -14.943 -10.009 1.312
97 HB3 LYS 16 HB3 LYS 16 -13.789 -11.247 1.790
98 HG2 LYS 16 HG2 LYS 16 -15.171 -12.935 1.247
99 HG3 LYS 16 HG3 LYS 16 -16.611 -12.077 1.802
100 HD2 LYS 16 HD2 LYS 16 -16.972 -12.124 -0.470
101 HD3 LYS 16 HD3 LYS 16 -16.151 -10.572 -0.292
102 HE2 LYS 16 HE2 LYS 16 -14.004 -11.758 -0.811
103 HE3 LYS 16 HE3 LYS 16 -14.959 -13.189 -1.193
104 HZ1 LYS 16 HZ1 LYS 16 -15.521 -12.358 -3.164
105 HZ2 LYS 16 HZ2 LYS 16 -14.294 -11.216 -2.935
106 HZ3 LYS 16 HZ3 LYS 16 -15.892 -10.832 -2.533
107 H SER 17 H SER 17 -17.384 -11.784 3.711
108 HA SER 17 HA SER 17 -19.051 -9.557 3.024
109 HB2 SER 17 HB2 SER 17 -19.479 -12.378 3.873
110 HB3 SER 17 HB3 SER 17 -20.805 -11.245 4.135
111 HG SER 17 HG SER 17 -19.776 -12.259 1.782
112 H PHE 18 H PHE 18 -17.397 -10.446 5.810
113 HA PHE 18 HA PHE 18 -19.307 -9.179 7.622
114 HB2 PHE 18 HB2 PHE 18 -16.671 -10.543 8.212
115 HB3 PHE 18 HB3 PHE 18 -17.814 -9.955 9.415
116 HD1 PHE 18 HD2 PHE 18 -17.385 -12.399 6.669
117 HD2 PHE 18 HD1 PHE 18 -19.613 -11.277 10.118
118 HE1 PHE 18 HE2 PHE 18 -18.541 -14.570 6.624
119 HE2 PHE 18 HE1 PHE 18 -20.772 -13.448 10.079
120 HZ PHE 18 HZ PHE 18 -20.237 -15.097 8.330
121 H CYS 19 H CYS 19 -17.223 -8.012 5.535
122 HA CYS 19 HA CYS 19 -15.459 -6.379 6.998
123 HB2 CYS 19 HB2 CYS 19 -16.529 -6.373 4.210
124 HB3 CYS 19 HB3 CYS 19 -15.689 -4.938 4.788
125 H LYS 20 H LYS 20 -18.830 -6.090 6.265
126 HA LYS 20 HA LYS 20 -18.895 -3.289 7.094
127 HB2 LYS 20 HB2 LYS 20 -21.327 -3.459 6.494
128 HB3 LYS 20 HB3 LYS 20 -20.221 -3.756 5.160
129 HG2 LYS 20 HG2 LYS 20 -21.186 -5.707 4.784
130 HG3 LYS 20 HG3 LYS 20 -20.769 -6.241 6.414
131 HD2 LYS 20 HD2 LYS 20 -23.048 -6.435 6.502
132 HD3 LYS 20 HD3 LYS 20 -22.863 -4.771 7.060
133 HE2 LYS 20 HE2 LYS 20 -24.325 -4.255 5.448
134 HE3 LYS 20 HE3 LYS 20 -22.972 -4.473 4.339
135 HZ1 LYS 20 HZ1 LYS 20 -23.768 -6.444 3.607
136 HZ2 LYS 20 HZ2 LYS 20 -25.248 -5.762 4.061
137 HZ3 LYS 20 HZ3 LYS 20 -24.472 -6.860 5.088
138 H ASP 21 H ASP 21 -18.407 -5.726 8.860
139 HA ASP 21 HA ASP 21 -20.694 -5.797 10.611
140 HB2 ASP 21 HB2 ASP 21 -19.003 -7.694 10.176
141 HB3 ASP 21 HB3 ASP 21 -17.952 -6.832 11.296
142 H SER 22 H SER 22 -20.951 -4.802 12.560
143 HA SER 22 HA SER 22 -19.361 -2.444 13.025
144 HB2 SER 22 HB2 SER 22 -20.991 -2.389 15.113
145 HB3 SER 22 HB3 SER 22 -21.572 -1.984 13.498
146 HG SER 22 HG SER 22 -22.595 -3.887 13.368
147 H GLY 23 H GLY 23 -19.450 -5.678 14.198
148 HA2 GLY 23 HA2 GLY 23 -18.232 -5.191 16.738
149 HA3 GLY 23 HA3 GLY 23 -18.368 -6.746 15.930
150 H ARG 24 H ARG 24 -16.131 -6.618 17.153
151 HA ARG 24 HA ARG 24 -13.990 -5.201 16.063
152 HB2 ARG 24 HB2 ARG 24 -12.551 -6.853 17.133
153 HB3 ARG 24 HB3 ARG 24 -13.874 -6.405 18.201
154 HG2 ARG 24 HG2 ARG 24 -15.013 -8.521 17.124
155 HG3 ARG 24 HG3 ARG 24 -13.335 -8.977 16.821
156 HD2 ARG 24 HD2 ARG 24 -13.771 -7.972 19.519
157 HD3 ARG 24 HD3 ARG 24 -14.741 -9.399 19.154
158 HE ARG 24 HE ARG 24 -12.014 -9.713 18.368
159 HH11 ARG 24 HH11 ARG 24 -14.192 -9.846 21.081
160 HH12 ARG 24 HH12 ARG 24 -13.213 -10.958 21.979
161 HH21 ARG 24 HH21 ARG 24 -10.717 -11.177 19.541
162 HH22 ARG 24 HH22 ARG 24 -11.236 -11.714 21.102
163 H ASN 25 H ASN 25 -15.417 -8.285 15.126
164 HA ASN 25 HA ASN 25 -13.513 -9.241 13.374
165 HB2 ASN 25 HB2 ASN 25 -16.469 -9.500 13.585
166 HB3 ASN 25 HB3 ASN 25 -15.722 -10.018 12.077
167 HD21 ASN 25 HD21 ASN 25 -16.805 -12.024 13.083
168 HD22 ASN 25 HD22 ASN 25 -15.760 -13.034 14.018
169 H GLY 26 H GLY 26 -16.083 -6.875 12.751
170 HA2 GLY 26 HA2 GLY 26 -15.504 -6.569 9.985
171 HA3 GLY 26 HA3 GLY 26 -16.449 -5.464 10.973
172 H VAL 27 H VAL 27 -14.612 -4.644 12.838
173 HA VAL 27 HA VAL 27 -13.246 -2.610 11.504
174 HB VAL 27 HB VAL 27 -12.554 -3.716 14.228
175 HG11 VAL 27 HG11 VAL 27 -11.465 -1.601 12.673
176 HG12 VAL 27 HG12 VAL 27 -12.311 -0.898 14.052
177 HG13 VAL 27 HG13 VAL 27 -11.042 -2.095 14.312
178 HG21 VAL 27 HG21 VAL 27 -14.112 -1.972 15.075
179 HG22 VAL 27 HG22 VAL 27 -14.639 -1.693 13.416
180 HG23 VAL 27 HG23 VAL 27 -14.914 -3.260 14.177
181 H LYS 28 H LYS 28 -12.026 -5.671 12.833
182 HA LYS 28 HA LYS 28 -9.325 -5.258 12.130
183 HB2 LYS 28 HB2 LYS 28 -10.889 -7.797 12.609
184 HB3 LYS 28 HB3 LYS 28 -9.146 -7.753 12.381
185 HG2 LYS 28 HG2 LYS 28 -10.641 -6.336 14.577
186 HG3 LYS 28 HG3 LYS 28 -9.791 -7.874 14.746
187 HD2 LYS 28 HD2 LYS 28 -7.692 -6.759 14.105
188 HD3 LYS 28 HD3 LYS 28 -8.556 -5.223 13.997
189 HE2 LYS 28 HE2 LYS 28 -7.598 -5.159 16.117
190 HE3 LYS 28 HE3 LYS 28 -9.250 -5.688 16.431
191 HZ1 LYS 28 HZ1 LYS 28 -6.750 -7.216 16.587
192 HZ2 LYS 28 HZ2 LYS 28 -8.179 -8.035 16.205
193 HZ3 LYS 28 HZ3 LYS 28 -8.057 -7.181 17.660
194 H LEU 29 H LEU 29 -12.082 -6.416 10.344
195 HA LEU 29 HA LEU 29 -10.658 -7.636 8.214
196 HB2 LEU 29 HB2 LEU 29 -13.453 -6.677 8.624
197 HB3 LEU 29 HB3 LEU 29 -12.916 -7.098 6.999
198 HG LEU 29 HG LEU 29 -12.763 -8.999 9.331
199 HD11 LEU 29 HD11 LEU 29 -15.100 -8.277 8.863
200 HD12 LEU 29 HD12 LEU 29 -14.804 -9.993 8.584
201 HD13 LEU 29 HD13 LEU 29 -14.906 -8.883 7.218
202 HD21 LEU 29 HD21 LEU 29 -12.828 -9.623 6.393
203 HD22 LEU 29 HD22 LEU 29 -12.337 -10.662 7.731
204 HD23 LEU 29 HD23 LEU 29 -11.321 -9.302 7.251
205 H ARG 30 H ARG 30 -12.082 -4.413 8.641
206 HA ARG 30 HA ARG 30 -11.325 -3.460 6.073
207 HB2 ARG 30 HB2 ARG 30 -12.037 -1.962 8.600
208 HB3 ARG 30 HB3 ARG 30 -11.844 -1.218 7.019
209 HG2 ARG 30 HG2 ARG 30 -13.641 -3.205 6.494
210 HG3 ARG 30 HG3 ARG 30 -14.088 -2.716 8.130
211 HD2 ARG 30 HD2 ARG 30 -13.554 -0.414 6.482
212 HD3 ARG 30 HD3 ARG 30 -14.766 -1.451 5.731
213 HE ARG 30 HE ARG 30 -15.228 -0.913 8.524
214 HH11 ARG 30 HH11 ARG 30 -15.767 0.151 5.253
215 HH12 ARG 30 HH12 ARG 30 -17.185 1.066 5.645
216 HH21 ARG 30 HH21 ARG 30 -17.094 0.288 9.053
217 HH22 ARG 30 HH22 ARG 30 -17.938 1.144 7.808
218 H ALA 31 H ALA 31 -9.603 -3.967 8.969
219 HA ALA 31 HA ALA 31 -7.535 -2.013 8.343
220 HB1 ALA 31 HB1 ALA 31 -6.527 -2.660 10.444
221 HB2 ALA 31 HB2 ALA 31 -8.246 -2.341 10.679
222 HB3 ALA 31 HB3 ALA 31 -7.659 -4.002 10.606
223 H ASN 32 H ASN 32 -7.725 -5.538 8.868
224 HA ASN 32 HA ASN 32 -5.104 -5.963 7.770
225 HB2 ASN 32 HB2 ASN 32 -7.274 -7.961 8.453
226 HB3 ASN 32 HB3 ASN 32 -5.594 -8.350 8.093
227 HD21 ASN 32 HD21 ASN 32 -7.680 -8.124 10.522
228 HD22 ASN 32 HD22 ASN 32 -6.627 -7.664 11.812
229 H CYS 33 H CYS 33 -8.159 -5.485 6.450
230 HA CYS 33 HA CYS 33 -7.217 -6.430 3.845
231 HB2 CYS 33 HB2 CYS 33 -10.076 -6.916 4.606
232 HB3 CYS 33 HB3 CYS 33 -9.111 -7.694 3.355
233 H LYS 34 H LYS 34 -6.945 -3.925 4.178
234 HA LYS 34 HA LYS 34 -9.154 -2.215 4.014
235 HB2 LYS 34 HB2 LYS 34 -6.469 -1.707 2.733
236 HB3 LYS 34 HB3 LYS 34 -7.618 -0.515 3.327
237 HG2 LYS 34 HG2 LYS 34 -7.125 -2.010 5.564
238 HG3 LYS 34 HG3 LYS 34 -5.558 -2.009 4.750
239 HD2 LYS 34 HD2 LYS 34 -5.234 0.195 5.106
240 HD3 LYS 34 HD3 LYS 34 -6.933 0.593 4.839
241 HE2 LYS 34 HE2 LYS 34 -6.510 1.075 7.108
242 HE3 LYS 34 HE3 LYS 34 -7.390 -0.453 7.099
243 HZ1 LYS 34 HZ1 LYS 34 -4.440 -0.192 7.329
244 HZ2 LYS 34 HZ2 LYS 34 -5.325 -1.631 7.404
245 HZ3 LYS 34 HZ3 LYS 34 -5.492 -0.471 8.624
246 H LYS 35 H LYS 35 -7.807 -4.339 1.698
247 HA LYS 35 HA LYS 35 -9.026 -2.938 -0.556
248 HB2 LYS 35 HB2 LYS 35 -6.801 -3.820 -0.926
249 HB3 LYS 35 HB3 LYS 35 -7.312 -5.425 -0.419
250 HG2 LYS 35 HG2 LYS 35 -9.044 -4.726 -2.492
251 HG3 LYS 35 HG3 LYS 35 -7.444 -4.193 -3.013
252 HD2 LYS 35 HD2 LYS 35 -6.735 -6.293 -3.318
253 HD3 LYS 35 HD3 LYS 35 -7.407 -6.829 -1.776
254 HE2 LYS 35 HE2 LYS 35 -8.519 -8.050 -3.485
255 HE3 LYS 35 HE3 LYS 35 -9.661 -6.852 -2.881
256 HZ1 LYS 35 HZ1 LYS 35 -9.141 -5.450 -4.778
257 HZ2 LYS 35 HZ2 LYS 35 -9.693 -6.964 -5.291
258 HZ3 LYS 35 HZ3 LYS 35 -8.043 -6.599 -5.359
259 H THR 36 H THR 36 -9.087 -6.212 0.859
260 HA THR 36 HA THR 36 -11.141 -7.293 -0.627
261 HB THR 36 HB THR 36 -10.785 -7.817 2.325
262 HG1 THR 36 HG1 THR 36 -9.417 -9.156 0.227
263 HG21 THR 36 HG21 THR 36 -12.739 -8.821 1.051
264 HG22 THR 36 HG22 THR 36 -11.681 -9.963 1.879
265 HG23 THR 36 HG23 THR 36 -11.545 -9.738 0.135
266 H CYS 37 H CYS 37 -11.304 -4.963 1.951
267 HA CYS 37 HA CYS 37 -14.192 -5.223 2.203
268 HB2 CYS 37 HB2 CYS 37 -12.184 -3.434 3.583
269 HB3 CYS 37 HB3 CYS 37 -13.917 -3.378 3.890
270 H GLY 38 H GLY 38 -11.816 -3.164 0.700
271 HA2 GLY 38 HA2 GLY 38 -12.274 -1.778 -1.153
272 HA3 GLY 38 HA3 GLY 38 -13.971 -1.766 -0.696
273 H LEU 39 H LEU 39 -10.784 -0.517 0.191
274 HA LEU 39 HA LEU 39 -12.116 1.898 1.209
275 HB2 LEU 39 HB2 LEU 39 -9.822 0.417 2.481
276 HB3 LEU 39 HB3 LEU 39 -10.317 2.045 2.938
277 HG LEU 39 HG LEU 39 -12.384 -0.080 3.042
278 HD11 LEU 39 HD11 LEU 39 -11.288 -1.417 4.426
279 HD12 LEU 39 HD12 LEU 39 -11.115 -0.075 5.556
280 HD13 LEU 39 HD13 LEU 39 -9.864 -0.379 4.351
281 HD21 LEU 39 HD21 LEU 39 -13.194 1.203 4.870
282 HD22 LEU 39 HD22 LEU 39 -12.747 2.342 3.600
283 HD23 LEU 39 HD23 LEU 39 -11.685 2.108 4.988
284 H CYS 40 H CYS 40 -10.284 0.751 -1.144
285 HA CYS 40 HA CYS 40 -8.032 2.483 -1.171
286 HB2 CYS 40 HB2 CYS 40 -9.339 1.238 -3.590
287 HB3 CYS 40 HB3 CYS 40 -7.652 1.705 -3.394
Start of MODEL 15
1 H1 ALA 1 H ALA 1 -1.677 5.463 4.766
2 HA ALA 1 HA ALA 1 0.669 4.789 3.146
3 HB1 ALA 1 HB1 ALA 1 0.181 3.707 5.408
4 HB2 ALA 1 HB2 ALA 1 -1.090 2.816 4.568
5 HB3 ALA 1 HB3 ALA 1 0.592 2.638 4.066
6 H ALA 2 H ALA 2 0.203 2.614 1.849
7 HA ALA 2 HA ALA 2 -1.665 3.355 -0.197
8 HB1 ALA 2 HB1 ALA 2 -0.574 0.652 -0.358
9 HB2 ALA 2 HB2 ALA 2 -0.477 1.986 -1.507
10 HB3 ALA 2 HB3 ALA 2 0.654 1.901 -0.157
11 H CYS 3 H CYS 3 -3.033 1.439 -1.144
12 HA CYS 3 HA CYS 3 -4.576 0.283 1.086
13 HB2 CYS 3 HB2 CYS 3 -5.925 1.947 0.028
14 HB3 CYS 3 HB3 CYS 3 -5.505 1.358 -1.577
15 H SER 4 H SER 4 -4.568 -1.856 1.186
16 HA SER 4 HA SER 4 -4.979 -3.570 -1.001
17 HB2 SER 4 HB2 SER 4 -2.148 -2.971 -0.304
18 HB3 SER 4 HB3 SER 4 -2.557 -4.652 -0.646
19 HG SER 4 HG SER 4 -3.206 -4.084 -2.673
20 H ASP 5 H ASP 5 -4.038 -5.924 -0.277
21 HA ASP 5 HA ASP 5 -5.239 -6.341 2.349
22 HB2 ASP 5 HB2 ASP 5 -4.297 -8.527 0.510
23 HB3 ASP 5 HB3 ASP 5 -5.572 -8.581 1.725
24 H ARG 6 H ARG 6 -4.135 -6.920 4.119
25 HA ARG 6 HA ARG 6 -1.270 -7.534 3.803
26 HB2 ARG 6 HB2 ARG 6 -1.275 -6.636 6.290
27 HB3 ARG 6 HB3 ARG 6 -1.164 -5.536 4.922
28 HG2 ARG 6 HG2 ARG 6 -3.861 -6.214 5.968
29 HG3 ARG 6 HG3 ARG 6 -2.843 -5.114 6.901
30 HD2 ARG 6 HD2 ARG 6 -3.355 -4.729 3.965
31 HD3 ARG 6 HD3 ARG 6 -4.432 -4.076 5.199
32 HE ARG 6 HE ARG 6 -1.921 -3.018 4.406
33 HH11 ARG 6 HH11 ARG 6 -3.974 -3.478 7.180
34 HH12 ARG 6 HH12 ARG 6 -3.337 -2.115 8.040
35 HH21 ARG 6 HH21 ARG 6 -1.075 -1.222 5.528
36 HH22 ARG 6 HH22 ARG 6 -1.689 -0.832 7.099
37 H ALA 7 H ALA 7 -4.288 -8.412 5.269
38 HA ALA 7 HA ALA 7 -3.509 -10.094 7.316
39 HB1 ALA 7 HB1 ALA 7 -5.663 -10.770 7.378
40 HB2 ALA 7 HB2 ALA 7 -5.882 -9.422 6.260
41 HB3 ALA 7 HB3 ALA 7 -5.735 -11.067 5.640
42 H HIS 8 H HIS 8 -3.860 -12.579 7.211
43 HA HIS 8 HA HIS 8 -1.742 -13.739 5.876
44 HB2 HIS 8 HB2 HIS 8 -4.198 -14.779 7.191
45 HB3 HIS 8 HB3 HIS 8 -3.304 -15.894 6.161
46 HD1 HIS 8 HD1 HIS 8 -1.743 -17.260 7.483
47 HD2 HIS 8 HD2 HIS 8 -2.136 -13.434 9.055
48 HE1 HIS 8 HE1 HIS 8 -0.239 -17.203 9.497
49 H GLY 9 H GLY 9 -4.965 -13.084 4.733
50 HA2 GLY 9 HA2 GLY 9 -5.066 -12.820 2.256
51 HA3 GLY 9 HA3 GLY 9 -4.266 -14.383 2.171
52 H HIS 10 H HIS 10 -5.514 -16.118 3.540
53 HA HIS 10 HA HIS 10 -8.049 -16.424 2.290
54 HB2 HIS 10 HB2 HIS 10 -8.140 -18.552 3.320
55 HB3 HIS 10 HB3 HIS 10 -6.434 -18.274 2.984
56 HD1 HIS 10 HD1 HIS 10 -8.481 -19.558 5.538
57 HD2 HIS 10 HD2 HIS 10 -5.198 -17.012 5.500
58 HE1 HIS 10 HE1 HIS 10 -7.541 -19.639 7.869
59 H ILE 11 H ILE 11 -7.051 -14.863 5.132
60 HA ILE 11 HA ILE 11 -9.363 -15.245 6.734
61 HB ILE 11 HB ILE 11 -7.365 -12.980 6.774
62 HG12 ILE 11 HG12 ILE 11 -6.899 -15.625 7.308
63 HG13 ILE 11 HG13 ILE 11 -5.986 -14.286 7.995
64 HG21 ILE 11 HG21 ILE 11 -9.498 -13.800 8.733
65 HG22 ILE 11 HG22 ILE 11 -8.170 -12.712 9.134
66 HG23 ILE 11 HG23 ILE 11 -9.338 -12.258 7.893
67 HD11 ILE 11 HD11 ILE 11 -6.762 -16.002 9.632
68 HD12 ILE 11 HD12 ILE 11 -7.254 -14.348 9.999
69 HD13 ILE 11 HD13 ILE 11 -8.414 -15.479 9.301
70 H CYS 12 H CYS 12 -8.363 -12.660 4.512
71 HA CYS 12 HA CYS 12 -10.543 -10.957 4.892
72 HB2 CYS 12 HB2 CYS 12 -9.083 -11.360 2.278
73 HB3 CYS 12 HB3 CYS 12 -9.912 -9.908 2.828
74 H GLU 13 H GLU 13 -10.095 -13.604 2.569
75 HA GLU 13 HA GLU 13 -12.661 -13.276 1.367
76 HB2 GLU 13 HB2 GLU 13 -12.186 -15.448 0.291
77 HB3 GLU 13 HB3 GLU 13 -10.856 -14.311 0.121
78 HG2 GLU 13 HG2 GLU 13 -9.748 -15.438 2.051
79 HG3 GLU 13 HG3 GLU 13 -11.021 -16.655 1.995
80 H SER 14 H SER 14 -11.331 -15.511 3.778
81 HA SER 14 HA SER 14 -13.537 -17.158 4.120
82 HB2 SER 14 HB2 SER 14 -11.345 -16.287 5.989
83 HB3 SER 14 HB3 SER 14 -12.628 -17.365 6.537
84 HG SER 14 HG SER 14 -11.333 -18.831 5.737
85 H PHE 15 H PHE 15 -13.025 -13.890 5.147
86 HA PHE 15 HA PHE 15 -15.727 -13.859 6.284
87 HB2 PHE 15 HB2 PHE 15 -13.280 -12.647 7.586
88 HB3 PHE 15 HB3 PHE 15 -14.936 -12.368 8.113
89 HD1 PHE 15 HD1 PHE 15 -16.304 -14.397 8.835
90 HD2 PHE 15 HD2 PHE 15 -12.072 -14.463 8.385
91 HE1 PHE 15 HE1 PHE 15 -16.187 -16.397 10.263
92 HE2 PHE 15 HE2 PHE 15 -11.948 -16.464 9.812
93 HZ PHE 15 HZ PHE 15 -14.008 -17.433 10.753
94 H LYS 16 H LYS 16 -15.006 -13.054 3.724
95 HA LYS 16 HA LYS 16 -14.482 -10.255 3.589
96 HB2 LYS 16 HB2 LYS 16 -15.202 -10.514 1.199
97 HB3 LYS 16 HB3 LYS 16 -13.908 -11.597 1.694
98 HG2 LYS 16 HG2 LYS 16 -15.104 -13.386 1.166
99 HG3 LYS 16 HG3 LYS 16 -16.484 -12.819 2.110
100 HD2 LYS 16 HD2 LYS 16 -15.972 -11.488 -0.491
101 HD3 LYS 16 HD3 LYS 16 -16.589 -13.141 -0.535
102 HE2 LYS 16 HE2 LYS 16 -18.571 -12.564 0.521
103 HE3 LYS 16 HE3 LYS 16 -17.886 -11.098 1.223
104 HZ1 LYS 16 HZ1 LYS 16 -17.706 -10.331 -1.201
105 HZ2 LYS 16 HZ2 LYS 16 -19.231 -10.313 -0.469
106 HZ3 LYS 16 HZ3 LYS 16 -18.820 -11.560 -1.536
107 H SER 17 H SER 17 -17.363 -12.214 3.812
108 HA SER 17 HA SER 17 -19.188 -10.135 3.088
109 HB2 SER 17 HB2 SER 17 -19.404 -12.906 4.156
110 HB3 SER 17 HB3 SER 17 -20.779 -11.832 4.412
111 HG SER 17 HG SER 17 -20.230 -13.171 2.247
112 H PHE 18 H PHE 18 -17.325 -10.694 5.816
113 HA PHE 18 HA PHE 18 -19.209 -9.344 7.612
114 HB2 PHE 18 HB2 PHE 18 -16.565 -10.663 8.261
115 HB3 PHE 18 HB3 PHE 18 -17.729 -10.036 9.424
116 HD1 PHE 18 HD1 PHE 18 -17.191 -12.627 6.845
117 HD2 PHE 18 HD2 PHE 18 -19.547 -11.337 10.147
118 HE1 PHE 18 HE1 PHE 18 -18.303 -14.821 6.905
119 HE2 PHE 18 HE2 PHE 18 -20.662 -13.529 10.213
120 HZ PHE 18 HZ PHE 18 -20.041 -15.275 8.591
121 H CYS 19 H CYS 19 -17.324 -8.259 5.384
122 HA CYS 19 HA CYS 19 -15.421 -6.600 6.651
123 HB2 CYS 19 HB2 CYS 19 -16.648 -6.768 3.947
124 HB3 CYS 19 HB3 CYS 19 -15.871 -5.250 4.382
125 H LYS 20 H LYS 20 -18.827 -6.372 6.307
126 HA LYS 20 HA LYS 20 -18.794 -3.528 7.045
127 HB2 LYS 20 HB2 LYS 20 -21.105 -3.444 6.348
128 HB3 LYS 20 HB3 LYS 20 -20.148 -4.179 5.069
129 HG2 LYS 20 HG2 LYS 20 -21.341 -6.049 5.135
130 HG3 LYS 20 HG3 LYS 20 -21.191 -6.168 6.890
131 HD2 LYS 20 HD2 LYS 20 -23.484 -5.948 6.567
132 HD3 LYS 20 HD3 LYS 20 -22.974 -4.301 6.942
133 HE2 LYS 20 HE2 LYS 20 -23.637 -3.555 4.948
134 HE3 LYS 20 HE3 LYS 20 -22.796 -4.857 4.107
135 HZ1 LYS 20 HZ1 LYS 20 -25.543 -4.878 5.210
136 HZ2 LYS 20 HZ2 LYS 20 -24.737 -6.298 4.772
137 HZ3 LYS 20 HZ3 LYS 20 -25.060 -5.115 3.606
138 H ASP 21 H ASP 21 -18.256 -5.868 8.828
139 HA ASP 21 HA ASP 21 -20.534 -6.025 10.586
140 HB2 ASP 21 HB2 ASP 21 -17.779 -7.182 10.551
141 HB3 ASP 21 HB3 ASP 21 -18.662 -7.152 12.075
142 H SER 22 H SER 22 -20.813 -5.041 12.546
143 HA SER 22 HA SER 22 -19.365 -2.586 12.960
144 HB2 SER 22 HB2 SER 22 -21.913 -3.121 13.362
145 HB3 SER 22 HB3 SER 22 -21.340 -3.649 14.944
146 HG SER 22 HG SER 22 -21.782 -1.518 15.176
147 H GLY 23 H GLY 23 -19.243 -5.807 14.177
148 HA2 GLY 23 HA2 GLY 23 -17.967 -5.188 16.669
149 HA3 GLY 23 HA3 GLY 23 -18.087 -6.776 15.925
150 H ARG 24 H ARG 24 -15.810 -6.537 17.053
151 HA ARG 24 HA ARG 24 -13.752 -5.102 15.841
152 HB2 ARG 24 HB2 ARG 24 -12.229 -6.680 16.900
153 HB3 ARG 24 HB3 ARG 24 -13.528 -6.252 18.004
154 HG2 ARG 24 HG2 ARG 24 -14.658 -8.408 17.115
155 HG3 ARG 24 HG3 ARG 24 -13.028 -8.829 16.583
156 HD2 ARG 24 HD2 ARG 24 -12.215 -8.958 18.739
157 HD3 ARG 24 HD3 ARG 24 -13.467 -7.897 19.384
158 HE ARG 24 HE ARG 24 -14.869 -10.061 18.601
159 HH11 ARG 24 HH11 ARG 24 -12.016 -9.672 20.557
160 HH12 ARG 24 HH12 ARG 24 -12.335 -11.069 21.532
161 HH21 ARG 24 HH21 ARG 24 -15.301 -11.902 19.877
162 HH22 ARG 24 HH22 ARG 24 -14.203 -12.337 21.143
163 H ASN 25 H ASN 25 -15.134 -8.241 15.033
164 HA ASN 25 HA ASN 25 -13.272 -9.194 13.235
165 HB2 ASN 25 HB2 ASN 25 -16.211 -9.520 13.563
166 HB3 ASN 25 HB3 ASN 25 -15.507 -10.057 12.040
167 HD21 ASN 25 HD21 ASN 25 -16.640 -11.951 13.444
168 HD22 ASN 25 HD22 ASN 25 -15.483 -12.955 14.243
169 H GLY 26 H GLY 26 -15.918 -6.903 12.656
170 HA2 GLY 26 HA2 GLY 26 -15.454 -6.653 9.862
171 HA3 GLY 26 HA3 GLY 26 -16.384 -5.545 10.859
172 H VAL 27 H VAL 27 -14.520 -4.613 12.623
173 HA VAL 27 HA VAL 27 -13.235 -2.603 11.174
174 HB VAL 27 HB VAL 27 -12.418 -3.571 13.914
175 HG11 VAL 27 HG11 VAL 27 -10.955 -1.903 13.800
176 HG12 VAL 27 HG12 VAL 27 -11.587 -1.395 12.232
177 HG13 VAL 27 HG13 VAL 27 -12.312 -0.779 13.718
178 HG21 VAL 27 HG21 VAL 27 -14.771 -3.257 14.010
179 HG22 VAL 27 HG22 VAL 27 -14.036 -1.821 14.721
180 HG23 VAL 27 HG23 VAL 27 -14.676 -1.763 13.079
181 H LYS 28 H LYS 28 -11.907 -5.574 12.603
182 HA LYS 28 HA LYS 28 -9.237 -5.133 11.815
183 HB2 LYS 28 HB2 LYS 28 -10.729 -7.689 12.424
184 HB3 LYS 28 HB3 LYS 28 -8.992 -7.609 12.161
185 HG2 LYS 28 HG2 LYS 28 -10.478 -6.138 14.328
186 HG3 LYS 28 HG3 LYS 28 -9.603 -7.656 14.542
187 HD2 LYS 28 HD2 LYS 28 -7.540 -6.503 13.759
188 HD3 LYS 28 HD3 LYS 28 -8.448 -4.990 13.730
189 HE2 LYS 28 HE2 LYS 28 -7.449 -4.892 15.805
190 HE3 LYS 28 HE3 LYS 28 -9.012 -5.605 16.198
191 HZ1 LYS 28 HZ1 LYS 28 -7.605 -7.797 15.726
192 HZ2 LYS 28 HZ2 LYS 28 -7.706 -7.085 17.257
193 HZ3 LYS 28 HZ3 LYS 28 -6.359 -6.794 16.276
194 H LEU 29 H LEU 29 -12.008 -6.403 10.136
195 HA LEU 29 HA LEU 29 -10.602 -7.676 8.021
196 HB2 LEU 29 HB2 LEU 29 -13.410 -6.785 8.476
197 HB3 LEU 29 HB3 LEU 29 -12.907 -7.229 6.846
198 HG LEU 29 HG LEU 29 -12.613 -9.072 9.208
199 HD11 LEU 29 HD11 LEU 29 -14.982 -8.455 8.880
200 HD12 LEU 29 HD12 LEU 29 -14.657 -10.151 8.528
201 HD13 LEU 29 HD13 LEU 29 -14.866 -9.001 7.207
202 HD21 LEU 29 HD21 LEU 29 -11.268 -9.372 7.057
203 HD22 LEU 29 HD22 LEU 29 -12.808 -9.771 6.295
204 HD23 LEU 29 HD23 LEU 29 -12.204 -10.753 7.630
205 H ARG 30 H ARG 30 -12.171 -4.497 8.311
206 HA ARG 30 HA ARG 30 -11.467 -3.622 5.709
207 HB2 ARG 30 HB2 ARG 30 -12.199 -2.048 8.184
208 HB3 ARG 30 HB3 ARG 30 -12.050 -1.360 6.573
209 HG2 ARG 30 HG2 ARG 30 -13.782 -3.400 6.118
210 HG3 ARG 30 HG3 ARG 30 -14.216 -2.928 7.762
211 HD2 ARG 30 HD2 ARG 30 -13.812 -0.612 6.092
212 HD3 ARG 30 HD3 ARG 30 -15.005 -1.699 5.382
213 HE ARG 30 HE ARG 30 -15.410 -1.165 8.184
214 HH11 ARG 30 HH11 ARG 30 -16.071 -0.126 4.928
215 HH12 ARG 30 HH12 ARG 30 -17.508 0.742 5.357
216 HH21 ARG 30 HH21 ARG 30 -17.300 -0.026 8.762
217 HH22 ARG 30 HH22 ARG 30 -18.205 0.799 7.539
218 H ALA 31 H ALA 31 -9.670 -3.978 8.570
219 HA ALA 31 HA ALA 31 -7.687 -1.969 7.836
220 HB1 ALA 31 HB1 ALA 31 -8.358 -2.230 10.198
221 HB2 ALA 31 HB2 ALA 31 -7.693 -3.864 10.182
222 HB3 ALA 31 HB3 ALA 31 -6.630 -2.476 9.946
223 H ASN 32 H ASN 32 -7.720 -5.467 8.549
224 HA ASN 32 HA ASN 32 -5.114 -5.852 7.414
225 HB2 ASN 32 HB2 ASN 32 -7.206 -7.881 8.233
226 HB3 ASN 32 HB3 ASN 32 -5.528 -8.244 7.837
227 HD21 ASN 32 HD21 ASN 32 -7.530 -7.996 10.321
228 HD22 ASN 32 HD22 ASN 32 -6.455 -7.443 11.556
229 H CYS 33 H CYS 33 -8.187 -5.513 6.114
230 HA CYS 33 HA CYS 33 -7.257 -6.559 3.544
231 HB2 CYS 33 HB2 CYS 33 -10.082 -7.086 4.429
232 HB3 CYS 33 HB3 CYS 33 -9.176 -7.845 3.123
233 H LYS 34 H LYS 34 -7.052 -4.022 3.804
234 HA LYS 34 HA LYS 34 -9.307 -2.386 3.566
235 HB2 LYS 34 HB2 LYS 34 -6.627 -1.865 2.278
236 HB3 LYS 34 HB3 LYS 34 -7.815 -0.674 2.789
237 HG2 LYS 34 HG2 LYS 34 -7.311 -2.039 5.109
238 HG3 LYS 34 HG3 LYS 34 -5.733 -2.022 4.317
239 HD2 LYS 34 HD2 LYS 34 -5.465 0.173 4.671
240 HD3 LYS 34 HD3 LYS 34 -7.118 0.542 4.175
241 HE2 LYS 34 HE2 LYS 34 -7.741 -0.506 6.480
242 HE3 LYS 34 HE3 LYS 34 -6.057 -0.169 6.878
243 HZ1 LYS 34 HZ1 LYS 34 -6.459 2.006 7.035
244 HZ2 LYS 34 HZ2 LYS 34 -8.094 1.584 7.127
245 HZ3 LYS 34 HZ3 LYS 34 -7.422 2.044 5.644
246 H LYS 35 H LYS 35 -7.885 -4.550 1.329
247 HA LYS 35 HA LYS 35 -9.106 -3.274 -0.988
248 HB2 LYS 35 HB2 LYS 35 -6.800 -4.403 -0.976
249 HB3 LYS 35 HB3 LYS 35 -7.679 -5.926 -0.964
250 HG2 LYS 35 HG2 LYS 35 -7.148 -5.505 -3.212
251 HG3 LYS 35 HG3 LYS 35 -8.861 -5.112 -3.044
252 HD2 LYS 35 HD2 LYS 35 -7.451 -2.753 -2.455
253 HD3 LYS 35 HD3 LYS 35 -6.685 -3.439 -3.890
254 HE2 LYS 35 HE2 LYS 35 -9.273 -3.761 -4.546
255 HE3 LYS 35 HE3 LYS 35 -9.398 -2.329 -3.525
256 HZ1 LYS 35 HZ1 LYS 35 -7.333 -2.406 -5.608
257 HZ2 LYS 35 HZ2 LYS 35 -8.161 -1.080 -4.964
258 HZ3 LYS 35 HZ3 LYS 35 -8.935 -2.107 -6.063
259 H THR 36 H THR 36 -9.205 -6.490 0.554
260 HA THR 36 HA THR 36 -11.278 -7.597 -0.883
261 HB THR 36 HB THR 36 -10.860 -8.009 2.082
262 HG1 THR 36 HG1 THR 36 -9.676 -9.574 0.044
263 HG21 THR 36 HG21 THR 36 -12.229 -9.554 -0.091
264 HG22 THR 36 HG22 THR 36 -12.807 -9.152 1.526
265 HG23 THR 36 HG23 THR 36 -11.565 -10.385 1.315
266 H CYS 37 H CYS 37 -11.404 -5.176 1.612
267 HA CYS 37 HA CYS 37 -14.306 -5.379 1.832
268 HB2 CYS 37 HB2 CYS 37 -12.298 -3.627 3.261
269 HB3 CYS 37 HB3 CYS 37 -14.034 -3.584 3.552
270 H GLY 38 H GLY 38 -11.846 -3.419 0.354
271 HA2 GLY 38 HA2 GLY 38 -12.134 -1.925 -1.411
272 HA3 GLY 38 HA3 GLY 38 -13.872 -2.008 -1.164
273 H LEU 39 H LEU 39 -10.884 -0.537 -0.040
274 HA LEU 39 HA LEU 39 -12.479 1.692 1.027
275 HB2 LEU 39 HB2 LEU 39 -10.041 0.427 2.262
276 HB3 LEU 39 HB3 LEU 39 -10.713 1.975 2.773
277 HG LEU 39 HG LEU 39 -12.526 -0.376 2.787
278 HD11 LEU 39 HD11 LEU 39 -11.439 -1.580 4.301
279 HD12 LEU 39 HD12 LEU 39 -11.124 -0.158 5.295
280 HD13 LEU 39 HD13 LEU 39 -10.020 -0.581 3.987
281 HD21 LEU 39 HD21 LEU 39 -12.946 0.885 5.083
282 HD22 LEU 39 HD22 LEU 39 -13.647 1.446 3.564
283 HD23 LEU 39 HD23 LEU 39 -12.190 2.211 4.200
284 H CYS 40 H CYS 40 -10.384 0.766 -1.273
285 HA CYS 40 HA CYS 40 -8.432 2.832 -1.223
286 HB2 CYS 40 HB2 CYS 40 -9.390 1.348 -3.672
287 HB3 CYS 40 HB3 CYS 40 -7.814 2.089 -3.407
Start of MODEL 16
1 H1 ALA 1 H ALA 1 -1.053 7.249 1.391
2 HA ALA 1 HA ALA 1 -1.650 5.179 3.401
3 HB1 ALA 1 HB1 ALA 1 -4.027 5.891 3.118
4 HB2 ALA 1 HB2 ALA 1 -2.969 7.131 3.792
5 HB3 ALA 1 HB3 ALA 1 -3.452 7.211 2.098
6 H ALA 2 H ALA 2 -0.672 3.680 1.787
7 HA ALA 2 HA ALA 2 -2.022 3.197 -0.685
8 HB1 ALA 2 HB1 ALA 2 -0.408 1.650 -1.101
9 HB2 ALA 2 HB2 ALA 2 0.420 2.577 0.151
10 HB3 ALA 2 HB3 ALA 2 -0.384 1.062 0.561
11 H CYS 3 H CYS 3 -3.423 1.533 -1.233
12 HA CYS 3 HA CYS 3 -4.770 0.245 1.048
13 HB2 CYS 3 HB2 CYS 3 -6.289 1.738 -0.042
14 HB3 CYS 3 HB3 CYS 3 -5.838 1.133 -1.633
15 H SER 4 H SER 4 -4.731 -1.901 1.173
16 HA SER 4 HA SER 4 -4.865 -3.662 -1.017
17 HB2 SER 4 HB2 SER 4 -2.515 -2.790 -1.316
18 HB3 SER 4 HB3 SER 4 -2.112 -3.538 0.229
19 HG SER 4 HG SER 4 -1.633 -4.897 -1.561
20 H ASP 5 H ASP 5 -3.764 -5.933 -0.138
21 HA ASP 5 HA ASP 5 -5.123 -6.359 2.428
22 HB2 ASP 5 HB2 ASP 5 -4.158 -8.580 0.656
23 HB3 ASP 5 HB3 ASP 5 -5.507 -8.568 1.789
24 H ARG 6 H ARG 6 -4.053 -6.962 4.213
25 HA ARG 6 HA ARG 6 -1.181 -7.566 3.941
26 HB2 ARG 6 HB2 ARG 6 -1.248 -6.704 6.446
27 HB3 ARG 6 HB3 ARG 6 -1.092 -5.590 5.094
28 HG2 ARG 6 HG2 ARG 6 -3.808 -6.276 6.108
29 HG3 ARG 6 HG3 ARG 6 -2.807 -5.131 7.003
30 HD2 ARG 6 HD2 ARG 6 -3.024 -4.733 4.077
31 HD3 ARG 6 HD3 ARG 6 -4.462 -4.393 5.038
32 HE ARG 6 HE ARG 6 -3.310 -2.649 6.107
33 HH11 ARG 6 HH11 ARG 6 -1.354 -4.269 3.726
34 HH12 ARG 6 HH12 ARG 6 -0.173 -3.003 3.645
35 HH21 ARG 6 HH21 ARG 6 -1.762 -0.977 6.010
36 HH22 ARG 6 HH22 ARG 6 -0.406 -1.132 4.946
37 H ALA 7 H ALA 7 -4.225 -8.526 5.252
38 HA ALA 7 HA ALA 7 -3.485 -10.216 7.324
39 HB1 ALA 7 HB1 ALA 7 -5.661 -11.141 5.540
40 HB2 ALA 7 HB2 ALA 7 -5.630 -10.959 7.294
41 HB3 ALA 7 HB3 ALA 7 -5.834 -9.542 6.264
42 H HIS 8 H HIS 8 -3.970 -12.734 7.064
43 HA HIS 8 HA HIS 8 -1.751 -13.865 5.835
44 HB2 HIS 8 HB2 HIS 8 -4.284 -14.920 6.983
45 HB3 HIS 8 HB3 HIS 8 -3.348 -16.010 5.964
46 HD1 HIS 8 HD1 HIS 8 -1.742 -17.378 7.233
47 HD2 HIS 8 HD2 HIS 8 -2.440 -13.723 9.082
48 HE1 HIS 8 HE1 HIS 8 -0.378 -17.421 9.345
49 H GLY 9 H GLY 9 -4.822 -13.003 4.505
50 HA2 GLY 9 HA2 GLY 9 -4.805 -12.701 2.053
51 HA3 GLY 9 HA3 GLY 9 -4.029 -14.275 1.956
52 H HIS 10 H HIS 10 -5.412 -15.995 3.287
53 HA HIS 10 HA HIS 10 -7.888 -16.190 1.863
54 HB2 HIS 10 HB2 HIS 10 -6.527 -17.931 3.912
55 HB3 HIS 10 HB3 HIS 10 -8.130 -18.308 3.287
56 HD1 HIS 10 HD1 HIS 10 -4.551 -17.961 2.139
57 HD2 HIS 10 HD2 HIS 10 -8.169 -19.521 0.822
58 HE1 HIS 10 HE1 HIS 10 -4.002 -19.271 0.064
59 H ILE 11 H ILE 11 -6.949 -14.902 4.876
60 HA ILE 11 HA ILE 11 -9.305 -15.322 6.373
61 HB ILE 11 HB ILE 11 -7.274 -13.095 6.571
62 HG12 ILE 11 HG12 ILE 11 -6.855 -15.737 7.014
63 HG13 ILE 11 HG13 ILE 11 -6.010 -14.455 7.875
64 HG21 ILE 11 HG21 ILE 11 -8.173 -12.882 8.910
65 HG22 ILE 11 HG22 ILE 11 -9.256 -12.332 7.632
66 HG23 ILE 11 HG23 ILE 11 -9.524 -13.895 8.403
67 HD11 ILE 11 HD11 ILE 11 -7.371 -14.689 9.769
68 HD12 ILE 11 HD12 ILE 11 -8.564 -15.649 8.893
69 HD13 ILE 11 HD13 ILE 11 -6.981 -16.333 9.263
70 H CYS 12 H CYS 12 -8.238 -12.568 4.388
71 HA CYS 12 HA CYS 12 -10.445 -10.917 4.790
72 HB2 CYS 12 HB2 CYS 12 -8.872 -11.145 2.219
73 HB3 CYS 12 HB3 CYS 12 -9.760 -9.741 2.802
74 H GLU 13 H GLU 13 -9.874 -13.263 2.171
75 HA GLU 13 HA GLU 13 -12.386 -12.904 0.934
76 HB2 GLU 13 HB2 GLU 13 -11.882 -14.992 -0.258
77 HB3 GLU 13 HB3 GLU 13 -10.504 -13.901 -0.251
78 HG2 GLU 13 HG2 GLU 13 -9.592 -15.206 1.679
79 HG3 GLU 13 HG3 GLU 13 -10.890 -16.369 1.419
80 H SER 14 H SER 14 -11.212 -15.287 3.283
81 HA SER 14 HA SER 14 -13.408 -16.950 3.426
82 HB2 SER 14 HB2 SER 14 -11.293 -17.376 4.616
83 HB3 SER 14 HB3 SER 14 -11.654 -16.056 5.728
84 HG SER 14 HG SER 14 -13.413 -18.240 5.368
85 H PHE 15 H PHE 15 -12.864 -13.875 5.092
86 HA PHE 15 HA PHE 15 -15.726 -13.847 5.790
87 HB2 PHE 15 HB2 PHE 15 -13.493 -12.603 7.408
88 HB3 PHE 15 HB3 PHE 15 -15.201 -12.653 7.836
89 HD1 PHE 15 HD2 PHE 15 -12.107 -14.590 7.572
90 HD2 PHE 15 HD1 PHE 15 -16.210 -14.656 8.702
91 HE1 PHE 15 HE2 PHE 15 -11.744 -16.718 8.752
92 HE2 PHE 15 HE1 PHE 15 -15.854 -16.784 9.885
93 HZ PHE 15 HZ PHE 15 -13.619 -17.818 9.910
94 H LYS 16 H LYS 16 -14.926 -12.859 3.383
95 HA LYS 16 HA LYS 16 -14.278 -10.086 3.454
96 HB2 LYS 16 HB2 LYS 16 -14.944 -10.135 1.045
97 HB3 LYS 16 HB3 LYS 16 -13.741 -11.342 1.481
98 HG2 LYS 16 HG2 LYS 16 -15.038 -12.973 0.741
99 HG3 LYS 16 HG3 LYS 16 -16.366 -12.447 1.778
100 HD2 LYS 16 HD2 LYS 16 -15.836 -10.880 -0.688
101 HD3 LYS 16 HD3 LYS 16 -16.563 -12.478 -0.873
102 HE2 LYS 16 HE2 LYS 16 -18.354 -11.843 0.660
103 HE3 LYS 16 HE3 LYS 16 -17.620 -10.254 0.872
104 HZ1 LYS 16 HZ1 LYS 16 -19.452 -10.224 -0.724
105 HZ2 LYS 16 HZ2 LYS 16 -18.633 -11.335 -1.702
106 HZ3 LYS 16 HZ3 LYS 16 -17.989 -9.791 -1.455
107 H SER 17 H SER 17 -17.262 -11.919 3.425
108 HA SER 17 HA SER 17 -18.951 -9.670 2.884
109 HB2 SER 17 HB2 SER 17 -19.653 -11.964 2.336
110 HB3 SER 17 HB3 SER 17 -19.637 -12.380 4.050
111 HG SER 17 HG SER 17 -21.265 -10.779 4.351
112 H PHE 18 H PHE 18 -17.225 -10.648 5.582
113 HA PHE 18 HA PHE 18 -19.119 -9.535 7.505
114 HB2 PHE 18 HB2 PHE 18 -16.421 -10.837 7.930
115 HB3 PHE 18 HB3 PHE 18 -17.510 -10.313 9.210
116 HD1 PHE 18 HD2 PHE 18 -17.217 -12.635 6.337
117 HD2 PHE 18 HD1 PHE 18 -19.205 -11.715 9.987
118 HE1 PHE 18 HE2 PHE 18 -18.331 -14.828 6.279
119 HE2 PHE 18 HE1 PHE 18 -20.322 -13.907 9.935
120 HZ PHE 18 HZ PHE 18 -19.886 -15.466 8.079
121 H CYS 19 H CYS 19 -17.112 -8.209 5.416
122 HA CYS 19 HA CYS 19 -15.420 -6.547 6.949
123 HB2 CYS 19 HB2 CYS 19 -16.434 -6.519 4.136
124 HB3 CYS 19 HB3 CYS 19 -15.631 -5.083 4.763
125 H LYS 20 H LYS 20 -18.782 -6.380 6.135
126 HA LYS 20 HA LYS 20 -18.984 -3.593 6.982
127 HB2 LYS 20 HB2 LYS 20 -21.397 -3.870 6.356
128 HB3 LYS 20 HB3 LYS 20 -20.266 -4.123 5.033
129 HG2 LYS 20 HG2 LYS 20 -21.141 -6.116 4.655
130 HG3 LYS 20 HG3 LYS 20 -20.722 -6.626 6.291
131 HD2 LYS 20 HD2 LYS 20 -23.121 -4.913 5.978
132 HD3 LYS 20 HD3 LYS 20 -23.236 -6.576 5.396
133 HE2 LYS 20 HE2 LYS 20 -23.432 -7.346 7.473
134 HE3 LYS 20 HE3 LYS 20 -21.963 -6.509 7.971
135 HZ1 LYS 20 HZ1 LYS 20 -23.973 -5.844 9.222
136 HZ2 LYS 20 HZ2 LYS 20 -24.629 -5.218 7.794
137 HZ3 LYS 20 HZ3 LYS 20 -23.215 -4.550 8.440
138 H ASP 21 H ASP 21 -18.394 -5.995 8.758
139 HA ASP 21 HA ASP 21 -20.693 -6.191 10.481
140 HB2 ASP 21 HB2 ASP 21 -18.911 -7.997 10.083
141 HB3 ASP 21 HB3 ASP 21 -17.896 -7.064 11.180
142 H SER 22 H SER 22 -21.059 -5.168 12.387
143 HA SER 22 HA SER 22 -19.582 -2.744 12.880
144 HB2 SER 22 HB2 SER 22 -21.266 -2.611 14.850
145 HB3 SER 22 HB3 SER 22 -21.886 -2.473 13.205
146 HG SER 22 HG SER 22 -22.320 -4.417 15.087
147 H GLY 23 H GLY 23 -19.379 -5.959 13.929
148 HA2 GLY 23 HA2 GLY 23 -18.301 -5.379 16.551
149 HA3 GLY 23 HA3 GLY 23 -18.408 -6.959 15.791
150 H ARG 24 H ARG 24 -16.184 -6.782 17.015
151 HA ARG 24 HA ARG 24 -14.048 -5.361 15.941
152 HB2 ARG 24 HB2 ARG 24 -13.857 -8.145 17.092
153 HB3 ARG 24 HB3 ARG 24 -12.610 -6.905 17.076
154 HG2 ARG 24 HG2 ARG 24 -14.657 -5.661 18.402
155 HG3 ARG 24 HG3 ARG 24 -14.802 -7.334 18.945
156 HD2 ARG 24 HD2 ARG 24 -12.824 -7.289 20.049
157 HD3 ARG 24 HD3 ARG 24 -12.074 -6.204 18.879
158 HE ARG 24 HE ARG 24 -12.716 -4.427 20.170
159 HH11 ARG 24 HH11 ARG 24 -14.497 -7.252 21.152
160 HH12 ARG 24 HH12 ARG 24 -15.199 -6.488 22.539
161 HH21 ARG 24 HH21 ARG 24 -13.633 -3.409 21.993
162 HH22 ARG 24 HH22 ARG 24 -14.708 -4.301 23.017
163 H ASN 25 H ASN 25 -15.492 -8.404 14.934
164 HA ASN 25 HA ASN 25 -13.559 -9.363 13.207
165 HB2 ASN 25 HB2 ASN 25 -16.507 -9.472 12.581
166 HB3 ASN 25 HB3 ASN 25 -15.267 -10.656 12.182
167 HD21 ASN 25 HD21 ASN 25 -17.850 -10.367 13.963
168 HD22 ASN 25 HD22 ASN 25 -17.410 -11.263 15.373
169 H GLY 26 H GLY 26 -16.126 -6.998 12.554
170 HA2 GLY 26 HA2 GLY 26 -15.494 -6.653 9.809
171 HA3 GLY 26 HA3 GLY 26 -16.447 -5.554 10.795
172 H VAL 27 H VAL 27 -14.670 -4.725 12.685
173 HA VAL 27 HA VAL 27 -13.243 -2.715 11.372
174 HB VAL 27 HB VAL 27 -12.683 -3.785 14.140
175 HG11 VAL 27 HG11 VAL 27 -12.313 -1.048 14.120
176 HG12 VAL 27 HG12 VAL 27 -11.043 -2.273 14.092
177 HG13 VAL 27 HG13 VAL 27 -11.629 -1.573 12.582
178 HG21 VAL 27 HG21 VAL 27 -14.240 -2.007 14.894
179 HG22 VAL 27 HG22 VAL 27 -14.675 -1.720 13.209
180 HG23 VAL 27 HG23 VAL 27 -15.031 -3.276 13.958
181 H LYS 28 H LYS 28 -12.097 -5.762 12.793
182 HA LYS 28 HA LYS 28 -9.369 -5.374 12.183
183 HB2 LYS 28 HB2 LYS 28 -10.972 -7.884 12.681
184 HB3 LYS 28 HB3 LYS 28 -9.225 -7.876 12.481
185 HG2 LYS 28 HG2 LYS 28 -8.855 -6.918 14.513
186 HG3 LYS 28 HG3 LYS 28 -10.397 -6.060 14.514
187 HD2 LYS 28 HD2 LYS 28 -11.506 -7.789 15.455
188 HD3 LYS 28 HD3 LYS 28 -10.576 -9.001 14.571
189 HE2 LYS 28 HE2 LYS 28 -8.756 -8.829 16.096
190 HE3 LYS 28 HE3 LYS 28 -9.455 -7.405 16.865
191 HZ1 LYS 28 HZ1 LYS 28 -10.869 -9.998 16.867
192 HZ2 LYS 28 HZ2 LYS 28 -11.091 -8.674 17.895
193 HZ3 LYS 28 HZ3 LYS 28 -9.706 -9.634 18.041
194 H LEU 29 H LEU 29 -12.069 -6.450 10.299
195 HA LEU 29 HA LEU 29 -10.566 -7.751 8.250
196 HB2 LEU 29 HB2 LEU 29 -13.380 -6.822 8.569
197 HB3 LEU 29 HB3 LEU 29 -12.795 -7.234 6.959
198 HG LEU 29 HG LEU 29 -12.647 -9.145 9.280
199 HD11 LEU 29 HD11 LEU 29 -14.996 -8.395 8.785
200 HD12 LEU 29 HD12 LEU 29 -14.694 -10.123 8.599
201 HD13 LEU 29 HD13 LEU 29 -14.796 -9.087 7.175
202 HD21 LEU 29 HD21 LEU 29 -11.222 -9.414 7.178
203 HD22 LEU 29 HD22 LEU 29 -12.736 -9.753 6.340
204 HD23 LEU 29 HD23 LEU 29 -12.211 -10.789 7.668
205 H ARG 30 H ARG 30 -12.003 -4.527 8.598
206 HA ARG 30 HA ARG 30 -11.222 -3.599 6.036
207 HB2 ARG 30 HB2 ARG 30 -11.934 -2.101 8.562
208 HB3 ARG 30 HB3 ARG 30 -11.678 -1.333 7.001
209 HG2 ARG 30 HG2 ARG 30 -13.512 -3.270 6.399
210 HG3 ARG 30 HG3 ARG 30 -13.993 -2.778 8.025
211 HD2 ARG 30 HD2 ARG 30 -13.344 -0.480 6.415
212 HD3 ARG 30 HD3 ARG 30 -14.555 -1.477 5.612
213 HE ARG 30 HE ARG 30 -15.101 -0.950 8.393
214 HH11 ARG 30 HH11 ARG 30 -15.501 0.148 5.113
215 HH12 ARG 30 HH12 ARG 30 -16.908 1.096 5.464
216 HH21 ARG 30 HH21 ARG 30 -16.953 0.293 8.867
217 HH22 ARG 30 HH22 ARG 30 -17.733 1.178 7.600
218 H ALA 31 H ALA 31 -9.515 -4.071 8.959
219 HA ALA 31 HA ALA 31 -7.428 -2.149 8.347
220 HB1 ALA 31 HB1 ALA 31 -7.472 -4.233 10.524
221 HB2 ALA 31 HB2 ALA 31 -6.421 -2.820 10.416
222 HB3 ALA 31 HB3 ALA 31 -8.152 -2.613 10.682
223 H ASN 32 H ASN 32 -7.589 -5.689 8.784
224 HA ASN 32 HA ASN 32 -4.997 -6.073 7.613
225 HB2 ASN 32 HB2 ASN 32 -7.137 -8.115 8.252
226 HB3 ASN 32 HB3 ASN 32 -5.447 -8.459 7.898
227 HD21 ASN 32 HD21 ASN 32 -7.551 -8.357 10.313
228 HD22 ASN 32 HD22 ASN 32 -6.523 -7.903 11.624
229 H CYS 33 H CYS 33 -8.070 -5.553 6.364
230 HA CYS 33 HA CYS 33 -7.180 -6.426 3.716
231 HB2 CYS 33 HB2 CYS 33 -10.021 -6.945 4.529
232 HB3 CYS 33 HB3 CYS 33 -9.089 -7.673 3.224
233 H LYS 34 H LYS 34 -6.882 -3.955 4.020
234 HA LYS 34 HA LYS 34 -9.109 -2.237 3.976
235 HB2 LYS 34 HB2 LYS 34 -6.466 -1.664 2.643
236 HB3 LYS 34 HB3 LYS 34 -7.593 -0.513 3.350
237 HG2 LYS 34 HG2 LYS 34 -7.006 -2.112 5.483
238 HG3 LYS 34 HG3 LYS 34 -5.476 -2.084 4.603
239 HD2 LYS 34 HD2 LYS 34 -5.117 0.101 5.044
240 HD3 LYS 34 HD3 LYS 34 -6.823 0.520 4.877
241 HE2 LYS 34 HE2 LYS 34 -6.252 0.889 7.148
242 HE3 LYS 34 HE3 LYS 34 -7.200 -0.596 7.102
243 HZ1 LYS 34 HZ1 LYS 34 -4.234 -0.522 7.157
244 HZ2 LYS 34 HZ2 LYS 34 -5.220 -1.888 7.303
245 HZ3 LYS 34 HZ3 LYS 34 -5.202 -0.724 8.530
246 H LYS 35 H LYS 35 -7.803 -4.305 1.592
247 HA LYS 35 HA LYS 35 -9.070 -2.851 -0.605
248 HB2 LYS 35 HB2 LYS 35 -6.841 -3.683 -1.045
249 HB3 LYS 35 HB3 LYS 35 -7.311 -5.309 -0.566
250 HG2 LYS 35 HG2 LYS 35 -9.098 -4.593 -2.587
251 HG3 LYS 35 HG3 LYS 35 -7.517 -4.023 -3.128
252 HD2 LYS 35 HD2 LYS 35 -6.782 -6.103 -3.494
253 HD3 LYS 35 HD3 LYS 35 -7.414 -6.684 -1.951
254 HE2 LYS 35 HE2 LYS 35 -9.623 -6.925 -2.914
255 HE3 LYS 35 HE3 LYS 35 -9.062 -6.243 -4.440
256 HZ1 LYS 35 HZ1 LYS 35 -8.499 -8.272 -5.073
257 HZ2 LYS 35 HZ2 LYS 35 -8.975 -8.916 -3.584
258 HZ3 LYS 35 HZ3 LYS 35 -7.387 -8.377 -3.803
259 H THR 36 H THR 36 -9.053 -6.166 0.710
260 HA THR 36 HA THR 36 -11.111 -7.244 -0.767
261 HB THR 36 HB THR 36 -10.737 -7.831 2.169
262 HG1 THR 36 HG1 THR 36 -9.251 -8.830 -0.052
263 HG21 THR 36 HG21 THR 36 -11.620 -9.951 1.698
264 HG22 THR 36 HG22 THR 36 -11.378 -9.765 -0.039
265 HG23 THR 36 HG23 THR 36 -12.642 -8.848 0.779
266 H CYS 37 H CYS 37 -11.283 -5.002 1.897
267 HA CYS 37 HA CYS 37 -14.160 -5.306 2.169
268 HB2 CYS 37 HB2 CYS 37 -12.166 -3.503 3.551
269 HB3 CYS 37 HB3 CYS 37 -13.895 -3.488 3.886
270 H GLY 38 H GLY 38 -11.842 -3.154 0.694
271 HA2 GLY 38 HA2 GLY 38 -12.357 -1.751 -1.136
272 HA3 GLY 38 HA3 GLY 38 -14.046 -1.776 -0.649
273 H LEU 39 H LEU 39 -10.865 -0.483 0.190
274 HA LEU 39 HA LEU 39 -12.219 1.882 1.292
275 HB2 LEU 39 HB2 LEU 39 -9.863 0.424 2.472
276 HB3 LEU 39 HB3 LEU 39 -10.377 2.033 2.975
277 HG LEU 39 HG LEU 39 -12.389 -0.148 3.091
278 HD11 LEU 39 HD11 LEU 39 -9.840 -0.416 4.319
279 HD12 LEU 39 HD12 LEU 39 -11.254 -1.458 4.469
280 HD13 LEU 39 HD13 LEU 39 -11.037 -0.104 5.577
281 HD21 LEU 39 HD21 LEU 39 -11.716 2.037 5.050
282 HD22 LEU 39 HD22 LEU 39 -13.202 1.093 4.946
283 HD23 LEU 39 HD23 LEU 39 -12.808 2.260 3.683
284 H CYS 40 H CYS 40 -10.377 0.790 -1.106
285 HA CYS 40 HA CYS 40 -8.196 2.613 -1.153
286 HB2 CYS 40 HB2 CYS 40 -9.468 1.303 -3.557
287 HB3 CYS 40 HB3 CYS 40 -7.802 1.843 -3.378
Start of MODEL 17
1 H1 ALA 1 H ALA 1 -0.977 5.805 5.013
2 HA ALA 1 HA ALA 1 0.812 4.071 3.704
3 HB1 ALA 1 HB1 ALA 1 -1.214 2.504 4.870
4 HB2 ALA 1 HB2 ALA 1 0.367 2.908 5.540
5 HB3 ALA 1 HB3 ALA 1 -1.027 3.931 5.890
6 H ALA 2 H ALA 2 0.519 2.492 2.159
7 HA ALA 2 HA ALA 2 -1.370 3.004 0.127
8 HB1 ALA 2 HB1 ALA 2 0.712 0.958 0.626
9 HB2 ALA 2 HB2 ALA 2 -0.541 0.566 -0.553
10 HB3 ALA 2 HB3 ALA 2 0.458 2.003 -0.772
11 H CYS 3 H CYS 3 -3.054 1.620 -0.665
12 HA CYS 3 HA CYS 3 -4.462 0.245 1.512
13 HB2 CYS 3 HB2 CYS 3 -5.791 1.985 0.563
14 HB3 CYS 3 HB3 CYS 3 -5.424 1.460 -1.077
15 H SER 4 H SER 4 -4.535 -1.895 1.528
16 HA SER 4 HA SER 4 -5.038 -3.501 -0.725
17 HB2 SER 4 HB2 SER 4 -2.642 -2.825 -1.188
18 HB3 SER 4 HB3 SER 4 -2.188 -3.730 0.256
19 HG SER 4 HG SER 4 -3.040 -4.643 -2.226
20 H ASP 5 H ASP 5 -4.030 -5.909 -0.053
21 HA ASP 5 HA ASP 5 -5.331 -6.412 2.513
22 HB2 ASP 5 HB2 ASP 5 -4.320 -8.514 0.607
23 HB3 ASP 5 HB3 ASP 5 -5.589 -8.655 1.820
24 H ARG 6 H ARG 6 -4.277 -7.014 4.302
25 HA ARG 6 HA ARG 6 -1.405 -7.631 4.061
26 HB2 ARG 6 HB2 ARG 6 -1.500 -6.762 6.567
27 HB3 ARG 6 HB3 ARG 6 -1.298 -5.659 5.213
28 HG2 ARG 6 HG2 ARG 6 -4.045 -6.291 6.180
29 HG3 ARG 6 HG3 ARG 6 -3.040 -5.157 7.085
30 HD2 ARG 6 HD2 ARG 6 -3.206 -4.781 4.151
31 HD3 ARG 6 HD3 ARG 6 -4.646 -4.397 5.094
32 HE ARG 6 HE ARG 6 -3.462 -2.672 6.159
33 HH11 ARG 6 HH11 ARG 6 -1.523 -4.359 3.811
34 HH12 ARG 6 HH12 ARG 6 -0.312 -3.124 3.731
35 HH21 ARG 6 HH21 ARG 6 -1.874 -1.038 6.063
36 HH22 ARG 6 HH22 ARG 6 -0.511 -1.235 5.013
37 H ALA 7 H ALA 7 -4.471 -8.548 5.362
38 HA ALA 7 HA ALA 7 -3.808 -10.222 7.451
39 HB1 ALA 7 HB1 ALA 7 -5.933 -11.031 7.316
40 HB2 ALA 7 HB2 ALA 7 -6.114 -9.591 6.314
41 HB3 ALA 7 HB3 ALA 7 -5.889 -11.169 5.558
42 H HIS 8 H HIS 8 -4.035 -12.697 7.358
43 HA HIS 8 HA HIS 8 -1.816 -13.784 6.106
44 HB2 HIS 8 HB2 HIS 8 -4.240 -14.903 7.415
45 HB3 HIS 8 HB3 HIS 8 -3.279 -16.002 6.430
46 HD1 HIS 8 HD1 HIS 8 -3.419 -14.445 9.729
47 HD2 HIS 8 HD2 HIS 8 -0.523 -16.232 7.345
48 HE1 HIS 8 HE1 HIS 8 -1.507 -14.974 11.275
49 H GLY 9 H GLY 9 -5.017 -13.258 4.872
50 HA2 GLY 9 HA2 GLY 9 -5.063 -13.094 2.385
51 HA3 GLY 9 HA3 GLY 9 -4.240 -14.646 2.380
52 H HIS 10 H HIS 10 -5.577 -16.195 4.069
53 HA HIS 10 HA HIS 10 -8.070 -16.626 2.690
54 HB2 HIS 10 HB2 HIS 10 -6.431 -18.135 4.673
55 HB3 HIS 10 HB3 HIS 10 -8.142 -18.531 4.543
56 HD1 HIS 10 HD1 HIS 10 -6.051 -17.588 1.562
57 HD2 HIS 10 HD2 HIS 10 -7.754 -20.964 3.283
58 HE1 HIS 10 HE1 HIS 10 -5.794 -19.416 -0.146
59 H ILE 11 H ILE 11 -7.221 -14.663 5.181
60 HA ILE 11 HA ILE 11 -9.489 -15.102 6.906
61 HB ILE 11 HB ILE 11 -7.536 -12.798 6.839
62 HG12 ILE 11 HG12 ILE 11 -6.800 -15.280 7.366
63 HG13 ILE 11 HG13 ILE 11 -6.196 -13.936 8.329
64 HG21 ILE 11 HG21 ILE 11 -9.450 -12.028 7.961
65 HG22 ILE 11 HG22 ILE 11 -9.700 -13.575 8.770
66 HG23 ILE 11 HG23 ILE 11 -8.349 -12.543 9.239
67 HD11 ILE 11 HD11 ILE 11 -6.942 -15.935 9.625
68 HD12 ILE 11 HD12 ILE 11 -7.710 -14.417 10.090
69 HD13 ILE 11 HD13 ILE 11 -8.588 -15.582 9.099
70 H CYS 12 H CYS 12 -8.555 -12.792 4.402
71 HA CYS 12 HA CYS 12 -10.798 -11.082 4.720
72 HB2 CYS 12 HB2 CYS 12 -9.233 -11.456 2.169
73 HB3 CYS 12 HB3 CYS 12 -10.079 -10.014 2.721
74 H GLU 13 H GLU 13 -10.086 -13.730 2.459
75 HA GLU 13 HA GLU 13 -12.530 -13.571 1.050
76 HB2 GLU 13 HB2 GLU 13 -10.316 -15.539 1.272
77 HB3 GLU 13 HB3 GLU 13 -11.852 -16.132 0.654
78 HG2 GLU 13 HG2 GLU 13 -11.802 -14.342 -1.055
79 HG3 GLU 13 HG3 GLU 13 -10.201 -13.885 -0.475
80 H SER 14 H SER 14 -11.457 -15.741 3.660
81 HA SER 14 HA SER 14 -13.825 -17.200 3.911
82 HB2 SER 14 HB2 SER 14 -11.700 -16.527 5.954
83 HB3 SER 14 HB3 SER 14 -13.014 -17.665 6.255
84 HG SER 14 HG SER 14 -10.867 -18.455 5.395
85 H PHE 15 H PHE 15 -12.989 -14.016 5.003
86 HA PHE 15 HA PHE 15 -15.634 -13.797 6.281
87 HB2 PHE 15 HB2 PHE 15 -13.027 -12.523 7.126
88 HB3 PHE 15 HB3 PHE 15 -14.597 -12.047 7.764
89 HD1 PHE 15 HD2 PHE 15 -16.021 -13.934 8.824
90 HD2 PHE 15 HD1 PHE 15 -11.824 -14.193 8.168
91 HE1 PHE 15 HE2 PHE 15 -15.868 -15.705 10.525
92 HE2 PHE 15 HE1 PHE 15 -11.663 -15.965 9.868
93 HZ PHE 15 HZ PHE 15 -13.687 -16.722 11.050
94 H LYS 16 H LYS 16 -15.189 -13.313 3.562
95 HA LYS 16 HA LYS 16 -14.704 -10.572 3.007
96 HB2 LYS 16 HB2 LYS 16 -14.440 -11.760 1.083
97 HB3 LYS 16 HB3 LYS 16 -15.681 -12.931 1.510
98 HG2 LYS 16 HG2 LYS 16 -16.339 -11.656 -0.440
99 HG3 LYS 16 HG3 LYS 16 -17.414 -11.312 0.917
100 HD2 LYS 16 HD2 LYS 16 -16.994 -9.146 0.633
101 HD3 LYS 16 HD3 LYS 16 -15.316 -9.450 1.088
102 HE2 LYS 16 HE2 LYS 16 -14.596 -9.518 -1.093
103 HE3 LYS 16 HE3 LYS 16 -16.172 -10.012 -1.711
104 HZ1 LYS 16 HZ1 LYS 16 -15.095 -7.383 -1.370
105 HZ2 LYS 16 HZ2 LYS 16 -16.620 -7.541 -0.656
106 HZ3 LYS 16 HZ3 LYS 16 -16.415 -7.895 -2.297
107 H SER 17 H SER 17 -17.664 -12.473 3.445
108 HA SER 17 HA SER 17 -19.399 -10.237 2.999
109 HB2 SER 17 HB2 SER 17 -19.731 -13.087 3.789
110 HB3 SER 17 HB3 SER 17 -21.031 -11.974 4.215
111 HG SER 17 HG SER 17 -20.799 -13.121 1.959
112 H PHE 18 H PHE 18 -17.382 -10.983 5.496
113 HA PHE 18 HA PHE 18 -19.145 -9.964 7.595
114 HB2 PHE 18 HB2 PHE 18 -16.363 -11.142 7.714
115 HB3 PHE 18 HB3 PHE 18 -17.248 -10.549 9.116
116 HD1 PHE 18 HD2 PHE 18 -17.496 -12.989 6.322
117 HD2 PHE 18 HD1 PHE 18 -18.634 -11.977 10.296
118 HE1 PHE 18 HE2 PHE 18 -18.558 -15.194 6.576
119 HE2 PHE 18 HE1 PHE 18 -19.697 -14.180 10.557
120 HZ PHE 18 HZ PHE 18 -19.661 -15.792 8.695
121 H CYS 19 H CYS 19 -17.290 -8.655 5.284
122 HA CYS 19 HA CYS 19 -15.642 -6.811 6.622
123 HB2 CYS 19 HB2 CYS 19 -16.773 -7.066 3.886
124 HB3 CYS 19 HB3 CYS 19 -16.191 -5.474 4.362
125 H LYS 20 H LYS 20 -19.040 -6.951 6.236
126 HA LYS 20 HA LYS 20 -19.338 -4.123 6.974
127 HB2 LYS 20 HB2 LYS 20 -21.754 -4.492 6.418
128 HB3 LYS 20 HB3 LYS 20 -20.655 -4.697 5.060
129 HG2 LYS 20 HG2 LYS 20 -21.465 -6.720 4.699
130 HG3 LYS 20 HG3 LYS 20 -20.974 -7.220 6.319
131 HD2 LYS 20 HD2 LYS 20 -23.416 -5.585 6.202
132 HD3 LYS 20 HD3 LYS 20 -23.540 -7.172 5.438
133 HE2 LYS 20 HE2 LYS 20 -23.414 -8.266 7.403
134 HE3 LYS 20 HE3 LYS 20 -22.215 -7.154 8.061
135 HZ1 LYS 20 HZ1 LYS 20 -24.245 -5.546 8.129
136 HZ2 LYS 20 HZ2 LYS 20 -24.019 -6.684 9.359
137 HZ3 LYS 20 HZ3 LYS 20 -25.143 -6.980 8.130
138 H ASP 21 H ASP 21 -18.524 -6.369 8.769
139 HA ASP 21 HA ASP 21 -20.764 -6.793 10.530
140 HB2 ASP 21 HB2 ASP 21 -17.887 -7.601 10.500
141 HB3 ASP 21 HB3 ASP 21 -18.767 -7.670 12.025
142 H SER 22 H SER 22 -21.295 -5.684 12.319
143 HA SER 22 HA SER 22 -19.992 -3.158 12.795
144 HB2 SER 22 HB2 SER 22 -22.527 -3.676 12.924
145 HB3 SER 22 HB3 SER 22 -22.164 -4.319 14.526
146 HG SER 22 HG SER 22 -22.117 -2.348 15.217
147 H GLY 23 H GLY 23 -19.273 -6.217 13.727
148 HA2 GLY 23 HA2 GLY 23 -18.440 -5.491 16.446
149 HA3 GLY 23 HA3 GLY 23 -18.491 -7.118 15.785
150 H ARG 24 H ARG 24 -16.294 -6.884 16.981
151 HA ARG 24 HA ARG 24 -14.172 -5.439 15.924
152 HB2 ARG 24 HB2 ARG 24 -13.967 -8.221 17.083
153 HB3 ARG 24 HB3 ARG 24 -12.717 -6.985 17.054
154 HG2 ARG 24 HG2 ARG 24 -14.927 -5.843 18.359
155 HG3 ARG 24 HG3 ARG 24 -14.736 -7.470 19.015
156 HD2 ARG 24 HD2 ARG 24 -12.741 -6.994 19.975
157 HD3 ARG 24 HD3 ARG 24 -12.261 -5.896 18.682
158 HE ARG 24 HE ARG 24 -14.379 -4.861 20.314
159 HH11 ARG 24 HH11 ARG 24 -10.930 -5.234 20.030
160 HH12 ARG 24 HH12 ARG 24 -10.568 -3.867 21.031
161 HH21 ARG 24 HH21 ARG 24 -13.916 -3.059 21.634
162 HH22 ARG 24 HH22 ARG 24 -12.268 -2.631 21.943
163 H ASN 25 H ASN 25 -15.460 -8.586 14.966
164 HA ASN 25 HA ASN 25 -13.506 -9.438 13.218
165 HB2 ASN 25 HB2 ASN 25 -16.447 -9.844 13.414
166 HB3 ASN 25 HB3 ASN 25 -15.668 -10.320 11.908
167 HD21 ASN 25 HD21 ASN 25 -16.933 -12.077 13.706
168 HD22 ASN 25 HD22 ASN 25 -15.736 -13.154 14.332
169 H GLY 26 H GLY 26 -16.147 -7.155 12.623
170 HA2 GLY 26 HA2 GLY 26 -15.625 -6.830 9.849
171 HA3 GLY 26 HA3 GLY 26 -16.571 -5.745 10.857
172 H VAL 27 H VAL 27 -14.743 -4.864 12.681
173 HA VAL 27 HA VAL 27 -13.419 -2.824 11.310
174 HB VAL 27 HB VAL 27 -12.674 -3.864 14.044
175 HG11 VAL 27 HG11 VAL 27 -12.514 -1.088 13.966
176 HG12 VAL 27 HG12 VAL 27 -11.167 -2.228 13.956
177 HG13 VAL 27 HG13 VAL 27 -11.822 -1.622 12.435
178 HG21 VAL 27 HG21 VAL 27 -15.022 -3.527 14.100
179 HG22 VAL 27 HG22 VAL 27 -14.293 -2.104 14.846
180 HG23 VAL 27 HG23 VAL 27 -14.896 -2.021 13.191
181 H LYS 28 H LYS 28 -12.133 -5.833 12.697
182 HA LYS 28 HA LYS 28 -9.445 -5.382 11.975
183 HB2 LYS 28 HB2 LYS 28 -10.955 -7.946 12.499
184 HB3 LYS 28 HB3 LYS 28 -9.213 -7.866 12.275
185 HG2 LYS 28 HG2 LYS 28 -10.719 -6.401 14.431
186 HG3 LYS 28 HG3 LYS 28 -9.915 -7.958 14.646
187 HD2 LYS 28 HD2 LYS 28 -7.810 -6.776 13.790
188 HD3 LYS 28 HD3 LYS 28 -8.691 -5.274 14.078
189 HE2 LYS 28 HE2 LYS 28 -7.885 -5.398 16.159
190 HE3 LYS 28 HE3 LYS 28 -9.090 -6.660 16.410
191 HZ1 LYS 28 HZ1 LYS 28 -6.352 -7.215 15.420
192 HZ2 LYS 28 HZ2 LYS 28 -7.493 -8.329 15.982
193 HZ3 LYS 28 HZ3 LYS 28 -6.763 -7.250 17.061
194 H LEU 29 H LEU 29 -12.186 -6.579 10.206
195 HA LEU 29 HA LEU 29 -10.735 -7.818 8.094
196 HB2 LEU 29 HB2 LEU 29 -13.553 -6.946 8.517
197 HB3 LEU 29 HB3 LEU 29 -13.020 -7.348 6.886
198 HG LEU 29 HG LEU 29 -12.758 -9.250 9.206
199 HD11 LEU 29 HD11 LEU 29 -14.803 -10.260 8.613
200 HD12 LEU 29 HD12 LEU 29 -14.954 -9.281 7.154
201 HD13 LEU 29 HD13 LEU 29 -15.138 -8.534 8.741
202 HD21 LEU 29 HD21 LEU 29 -13.007 -10.042 6.350
203 HD22 LEU 29 HD22 LEU 29 -12.142 -10.828 7.671
204 HD23 LEU 29 HD23 LEU 29 -11.469 -9.386 6.910
205 H ARG 30 H ARG 30 -12.294 -4.644 8.445
206 HA ARG 30 HA ARG 30 -11.565 -3.706 5.872
207 HB2 ARG 30 HB2 ARG 30 -12.315 -2.199 8.383
208 HB3 ARG 30 HB3 ARG 30 -12.136 -1.461 6.797
209 HG2 ARG 30 HG2 ARG 30 -13.879 -3.477 6.258
210 HG3 ARG 30 HG3 ARG 30 -14.336 -3.038 7.905
211 HD2 ARG 30 HD2 ARG 30 -13.880 -0.687 6.299
212 HD3 ARG 30 HD3 ARG 30 -15.066 -1.746 5.537
213 HE ARG 30 HE ARG 30 -15.526 -1.276 8.342
214 HH11 ARG 30 HH11 ARG 30 -16.115 -0.161 5.097
215 HH12 ARG 30 HH12 ARG 30 -17.555 0.706 5.517
216 HH21 ARG 30 HH21 ARG 30 -17.421 -0.139 8.907
217 HH22 ARG 30 HH22 ARG 30 -18.297 0.718 7.684
218 H ALA 31 H ALA 31 -9.794 -4.146 8.737
219 HA ALA 31 HA ALA 31 -7.786 -2.141 8.049
220 HB1 ALA 31 HB1 ALA 31 -8.469 -2.371 10.395
221 HB2 ALA 31 HB2 ALA 31 -7.885 -4.036 10.394
222 HB3 ALA 31 HB3 ALA 31 -6.751 -2.704 10.172
223 H ASN 32 H ASN 32 -7.915 -5.649 8.686
224 HA ASN 32 HA ASN 32 -5.277 -6.070 7.638
225 HB2 ASN 32 HB2 ASN 32 -7.457 -8.034 8.378
226 HB3 ASN 32 HB3 ASN 32 -5.808 -8.479 7.951
227 HD21 ASN 32 HD21 ASN 32 -7.790 -8.126 10.464
228 HD22 ASN 32 HD22 ASN 32 -6.663 -7.696 11.701
229 H CYS 33 H CYS 33 -8.311 -5.651 6.250
230 HA CYS 33 HA CYS 33 -7.305 -6.616 3.678
231 HB2 CYS 33 HB2 CYS 33 -10.134 -7.207 4.536
232 HB3 CYS 33 HB3 CYS 33 -9.263 -7.844 3.145
233 H LYS 34 H LYS 34 -7.105 -4.102 3.977
234 HA LYS 34 HA LYS 34 -9.359 -2.456 3.751
235 HB2 LYS 34 HB2 LYS 34 -6.655 -1.902 2.529
236 HB3 LYS 34 HB3 LYS 34 -7.854 -0.725 3.049
237 HG2 LYS 34 HG2 LYS 34 -7.411 -2.119 5.348
238 HG3 LYS 34 HG3 LYS 34 -5.817 -2.145 4.589
239 HD2 LYS 34 HD2 LYS 34 -7.094 0.465 4.431
240 HD3 LYS 34 HD3 LYS 34 -6.876 -0.085 6.094
241 HE2 LYS 34 HE2 LYS 34 -4.611 -0.001 5.967
242 HE3 LYS 34 HE3 LYS 34 -4.583 -0.445 4.261
243 HZ1 LYS 34 HZ1 LYS 34 -3.968 1.728 4.132
244 HZ2 LYS 34 HZ2 LYS 34 -4.860 2.198 5.490
245 HZ3 LYS 34 HZ3 LYS 34 -5.644 1.924 4.016
246 H LYS 35 H LYS 35 -7.900 -4.565 1.487
247 HA LYS 35 HA LYS 35 -9.051 -3.224 -0.825
248 HB2 LYS 35 HB2 LYS 35 -6.773 -4.406 -0.786
249 HB3 LYS 35 HB3 LYS 35 -7.686 -5.909 -0.820
250 HG2 LYS 35 HG2 LYS 35 -7.065 -5.426 -3.049
251 HG3 LYS 35 HG3 LYS 35 -8.790 -5.077 -2.914
252 HD2 LYS 35 HD2 LYS 35 -7.486 -2.693 -2.243
253 HD3 LYS 35 HD3 LYS 35 -6.617 -3.329 -3.642
254 HE2 LYS 35 HE2 LYS 35 -9.599 -3.306 -3.673
255 HE3 LYS 35 HE3 LYS 35 -8.730 -1.795 -3.941
256 HZ1 LYS 35 HZ1 LYS 35 -7.450 -3.571 -5.552
257 HZ2 LYS 35 HZ2 LYS 35 -8.611 -2.447 -6.051
258 HZ3 LYS 35 HZ3 LYS 35 -9.071 -4.035 -5.694
259 H THR 36 H THR 36 -9.247 -6.484 0.613
260 HA THR 36 HA THR 36 -11.324 -7.493 -0.886
261 HB THR 36 HB THR 36 -10.902 -8.000 2.066
262 HG1 THR 36 HG1 THR 36 -9.659 -9.049 -0.259
263 HG21 THR 36 HG21 THR 36 -12.017 -10.081 1.719
264 HG22 THR 36 HG22 THR 36 -12.066 -9.833 -0.026
265 HG23 THR 36 HG23 THR 36 -13.046 -8.823 1.036
266 H CYS 37 H CYS 37 -11.441 -5.194 1.737
267 HA CYS 37 HA CYS 37 -14.344 -5.328 1.901
268 HB2 CYS 37 HB2 CYS 37 -12.295 -3.680 3.392
269 HB3 CYS 37 HB3 CYS 37 -14.031 -3.542 3.648
270 H GLY 38 H GLY 38 -11.837 -3.360 0.503
271 HA2 GLY 38 HA2 GLY 38 -12.080 -1.817 -1.224
272 HA3 GLY 38 HA3 GLY 38 -13.824 -1.895 -1.014
273 H LEU 39 H LEU 39 -10.850 -0.485 0.229
274 HA LEU 39 HA LEU 39 -12.453 1.733 1.307
275 HB2 LEU 39 HB2 LEU 39 -10.060 0.413 2.574
276 HB3 LEU 39 HB3 LEU 39 -10.732 1.953 3.107
277 HG LEU 39 HG LEU 39 -12.572 -0.372 3.010
278 HD11 LEU 39 HD11 LEU 39 -11.559 -1.634 4.532
279 HD12 LEU 39 HD12 LEU 39 -11.196 -0.239 5.548
280 HD13 LEU 39 HD13 LEU 39 -10.103 -0.682 4.237
281 HD21 LEU 39 HD21 LEU 39 -13.627 0.726 4.790
282 HD22 LEU 39 HD22 LEU 39 -13.117 2.022 3.708
283 HD23 LEU 39 HD23 LEU 39 -12.192 1.678 5.170
284 H CYS 40 H CYS 40 -10.273 0.831 -0.940
285 HA CYS 40 HA CYS 40 -8.329 2.899 -0.784
286 HB2 CYS 40 HB2 CYS 40 -9.180 1.441 -3.286
287 HB3 CYS 40 HB3 CYS 40 -7.619 2.183 -2.949
Start of MODEL 18
1 H1 ALA 1 H ALA 1 -0.006 6.785 3.280
2 HA ALA 1 HA ALA 1 -0.902 4.448 3.721
3 HB1 ALA 1 HB1 ALA 1 -3.288 5.262 4.060
4 HB2 ALA 1 HB2 ALA 1 -2.015 6.152 4.896
5 HB3 ALA 1 HB3 ALA 1 -2.733 6.811 3.426
6 H ALA 2 H ALA 2 -0.433 3.308 1.685
7 HA ALA 2 HA ALA 2 -2.243 3.474 -0.514
8 HB1 ALA 2 HB1 ALA 2 0.065 2.702 -0.781
9 HB2 ALA 2 HB2 ALA 2 -0.299 1.281 0.199
10 HB3 ALA 2 HB3 ALA 2 -1.092 1.503 -1.360
11 H CYS 3 H CYS 3 -3.406 1.441 -1.286
12 HA CYS 3 HA CYS 3 -4.815 0.210 0.992
13 HB2 CYS 3 HB2 CYS 3 -6.334 1.690 -0.121
14 HB3 CYS 3 HB3 CYS 3 -5.868 1.075 -1.703
15 H SER 4 H SER 4 -4.798 -1.940 1.112
16 HA SER 4 HA SER 4 -4.886 -3.706 -1.067
17 HB2 SER 4 HB2 SER 4 -2.177 -2.907 -0.131
18 HB3 SER 4 HB3 SER 4 -2.439 -4.617 -0.471
19 HG SER 4 HG SER 4 -1.741 -3.109 -2.255
20 H ASP 5 H ASP 5 -3.857 -5.981 -0.213
21 HA ASP 5 HA ASP 5 -5.164 -6.389 2.381
22 HB2 ASP 5 HB2 ASP 5 -4.281 -8.635 0.604
23 HB3 ASP 5 HB3 ASP 5 -5.630 -8.573 1.735
24 H ARG 6 H ARG 6 -4.062 -6.991 4.143
25 HA ARG 6 HA ARG 6 -1.210 -7.656 3.810
26 HB2 ARG 6 HB2 ARG 6 -1.188 -6.812 6.308
27 HB3 ARG 6 HB3 ARG 6 -1.095 -5.676 4.969
28 HG2 ARG 6 HG2 ARG 6 -3.780 -6.379 6.028
29 HG3 ARG 6 HG3 ARG 6 -2.749 -5.310 6.982
30 HD2 ARG 6 HD2 ARG 6 -3.326 -4.843 4.067
31 HD3 ARG 6 HD3 ARG 6 -4.341 -4.194 5.355
32 HE ARG 6 HE ARG 6 -1.837 -3.177 4.493
33 HH11 ARG 6 HH11 ARG 6 -3.799 -3.650 7.329
34 HH12 ARG 6 HH12 ARG 6 -3.100 -2.321 8.194
35 HH21 ARG 6 HH21 ARG 6 -0.909 -1.425 5.621
36 HH22 ARG 6 HH22 ARG 6 -1.457 -1.055 7.221
37 H ALA 7 H ALA 7 -4.240 -8.545 5.233
38 HA ALA 7 HA ALA 7 -3.485 -10.277 7.252
39 HB1 ALA 7 HB1 ALA 7 -5.847 -9.559 6.203
40 HB2 ALA 7 HB2 ALA 7 -5.712 -11.189 5.542
41 HB3 ALA 7 HB3 ALA 7 -5.646 -10.937 7.286
42 H HIS 8 H HIS 8 -3.931 -12.769 7.044
43 HA HIS 8 HA HIS 8 -1.792 -13.935 5.749
44 HB2 HIS 8 HB2 HIS 8 -4.329 -14.957 6.917
45 HB3 HIS 8 HB3 HIS 8 -3.423 -16.053 5.878
46 HD1 HIS 8 HD1 HIS 8 -1.008 -16.714 6.694
47 HD2 HIS 8 HD2 HIS 8 -3.267 -14.555 9.433
48 HE1 HIS 8 HE1 HIS 8 0.169 -16.986 8.900
49 H GLY 9 H GLY 9 -4.924 -13.104 4.492
50 HA2 GLY 9 HA2 GLY 9 -4.901 -12.750 2.026
51 HA3 GLY 9 HA3 GLY 9 -4.168 -14.343 1.916
52 H HIS 10 H HIS 10 -5.542 -16.084 3.117
53 HA HIS 10 HA HIS 10 -8.050 -16.188 1.774
54 HB2 HIS 10 HB2 HIS 10 -8.338 -18.327 3.087
55 HB3 HIS 10 HB3 HIS 10 -6.885 -18.247 2.095
56 HD1 HIS 10 HD1 HIS 10 -4.898 -19.107 3.265
57 HD2 HIS 10 HD2 HIS 10 -7.615 -17.407 5.908
58 HE1 HIS 10 HE1 HIS 10 -3.886 -19.397 5.548
59 H ILE 11 H ILE 11 -7.058 -14.917 4.769
60 HA ILE 11 HA ILE 11 -9.396 -15.306 6.302
61 HB ILE 11 HB ILE 11 -7.344 -13.096 6.465
62 HG12 ILE 11 HG12 ILE 11 -6.916 -15.733 6.887
63 HG13 ILE 11 HG13 ILE 11 -6.069 -14.460 7.759
64 HG21 ILE 11 HG21 ILE 11 -9.268 -12.301 7.576
65 HG22 ILE 11 HG22 ILE 11 -9.591 -13.873 8.304
66 HG23 ILE 11 HG23 ILE 11 -8.206 -12.922 8.839
67 HD11 ILE 11 HD11 ILE 11 -8.618 -15.654 8.784
68 HD12 ILE 11 HD12 ILE 11 -7.039 -16.365 9.122
69 HD13 ILE 11 HD13 ILE 11 -7.402 -14.726 9.661
70 H CYS 12 H CYS 12 -8.325 -12.560 4.307
71 HA CYS 12 HA CYS 12 -10.511 -10.890 4.733
72 HB2 CYS 12 HB2 CYS 12 -8.966 -11.132 2.146
73 HB3 CYS 12 HB3 CYS 12 -9.839 -9.721 2.734
74 H GLU 13 H GLU 13 -9.992 -13.235 2.102
75 HA GLU 13 HA GLU 13 -12.513 -12.852 0.893
76 HB2 GLU 13 HB2 GLU 13 -12.045 -14.943 -0.304
77 HB3 GLU 13 HB3 GLU 13 -10.650 -13.872 -0.306
78 HG2 GLU 13 HG2 GLU 13 -9.745 -15.193 1.617
79 HG3 GLU 13 HG3 GLU 13 -11.062 -16.337 1.363
80 H SER 14 H SER 14 -11.342 -15.248 3.231
81 HA SER 14 HA SER 14 -13.557 -16.884 3.398
82 HB2 SER 14 HB2 SER 14 -11.440 -17.343 4.565
83 HB3 SER 14 HB3 SER 14 -11.760 -16.011 5.676
84 HG SER 14 HG SER 14 -12.712 -18.557 5.704
85 H PHE 15 H PHE 15 -12.955 -13.819 5.065
86 HA PHE 15 HA PHE 15 -15.808 -13.757 5.798
87 HB2 PHE 15 HB2 PHE 15 -13.545 -12.523 7.380
88 HB3 PHE 15 HB3 PHE 15 -15.246 -12.569 7.833
89 HD1 PHE 15 HD2 PHE 15 -12.162 -14.518 7.512
90 HD2 PHE 15 HD1 PHE 15 -16.241 -14.563 8.729
91 HE1 PHE 15 HE2 PHE 15 -11.784 -16.645 8.689
92 HE2 PHE 15 HE1 PHE 15 -15.868 -16.690 9.909
93 HZ PHE 15 HZ PHE 15 -13.638 -17.734 9.889
94 H LYS 16 H LYS 16 -15.023 -12.785 3.375
95 HA LYS 16 HA LYS 16 -14.354 -10.016 3.433
96 HB2 LYS 16 HB2 LYS 16 -15.035 -10.066 1.030
97 HB3 LYS 16 HB3 LYS 16 -13.843 -11.286 1.460
98 HG2 LYS 16 HG2 LYS 16 -15.164 -12.897 0.720
99 HG3 LYS 16 HG3 LYS 16 -16.470 -12.369 1.783
100 HD2 LYS 16 HD2 LYS 16 -15.972 -10.790 -0.683
101 HD3 LYS 16 HD3 LYS 16 -16.713 -12.382 -0.865
102 HE2 LYS 16 HE2 LYS 16 -18.273 -11.532 1.062
103 HE3 LYS 16 HE3 LYS 16 -17.753 -9.942 0.504
104 HZ1 LYS 16 HZ1 LYS 16 -19.648 -10.354 -0.729
105 HZ2 LYS 16 HZ2 LYS 16 -19.296 -11.994 -0.945
106 HZ3 LYS 16 HZ3 LYS 16 -18.422 -10.822 -1.796
107 H SER 17 H SER 17 -17.351 -11.828 3.427
108 HA SER 17 HA SER 17 -19.026 -9.564 2.902
109 HB2 SER 17 HB2 SER 17 -20.756 -11.314 3.963
110 HB3 SER 17 HB3 SER 17 -20.167 -11.458 2.307
111 HG SER 17 HG SER 17 -19.022 -13.161 2.848
112 H PHE 18 H PHE 18 -17.286 -10.553 5.581
113 HA PHE 18 HA PHE 18 -19.164 -9.450 7.524
114 HB2 PHE 18 HB2 PHE 18 -16.462 -10.754 7.913
115 HB3 PHE 18 HB3 PHE 18 -17.527 -10.225 9.210
116 HD1 PHE 18 HD1 PHE 18 -17.304 -12.543 6.327
117 HD2 PHE 18 HD2 PHE 18 -19.203 -11.627 10.025
118 HE1 PHE 18 HE1 PHE 18 -18.428 -14.732 6.289
119 HE2 PHE 18 HE2 PHE 18 -20.328 -13.815 9.993
120 HZ PHE 18 HZ PHE 18 -19.941 -15.371 8.124
121 H CYS 19 H CYS 19 -17.167 -8.119 5.423
122 HA CYS 19 HA CYS 19 -15.478 -6.451 6.955
123 HB2 CYS 19 HB2 CYS 19 -16.501 -6.405 4.141
124 HB3 CYS 19 HB3 CYS 19 -15.659 -4.995 4.776
125 H LYS 20 H LYS 20 -18.832 -6.259 6.066
126 HA LYS 20 HA LYS 20 -19.028 -3.493 6.990
127 HB2 LYS 20 HB2 LYS 20 -21.416 -3.708 6.246
128 HB3 LYS 20 HB3 LYS 20 -20.227 -3.923 4.967
129 HG2 LYS 20 HG2 LYS 20 -21.105 -5.888 4.467
130 HG3 LYS 20 HG3 LYS 20 -20.775 -6.468 6.101
131 HD2 LYS 20 HD2 LYS 20 -23.149 -4.725 5.655
132 HD3 LYS 20 HD3 LYS 20 -23.229 -6.411 5.139
133 HE2 LYS 20 HE2 LYS 20 -22.177 -6.685 7.619
134 HE3 LYS 20 HE3 LYS 20 -23.177 -5.251 7.845
135 HZ1 LYS 20 HZ1 LYS 20 -24.116 -7.855 6.766
136 HZ2 LYS 20 HZ2 LYS 20 -25.074 -6.480 7.000
137 HZ3 LYS 20 HZ3 LYS 20 -24.401 -7.278 8.331
138 H ASP 21 H ASP 21 -18.590 -6.017 8.673
139 HA ASP 21 HA ASP 21 -20.964 -6.187 10.295
140 HB2 ASP 21 HB2 ASP 21 -19.148 -8.014 9.848
141 HB3 ASP 21 HB3 ASP 21 -18.284 -7.219 11.161
142 H SER 22 H SER 22 -21.468 -4.965 11.989
143 HA SER 22 HA SER 22 -19.694 -2.841 12.796
144 HB2 SER 22 HB2 SER 22 -21.639 -2.330 14.397
145 HB3 SER 22 HB3 SER 22 -21.962 -2.196 12.669
146 HG SER 22 HG SER 22 -23.456 -3.630 12.947
147 H GLY 23 H GLY 23 -18.272 -4.934 13.429
148 HA2 GLY 23 HA2 GLY 23 -18.332 -4.943 16.350
149 HA3 GLY 23 HA3 GLY 23 -18.434 -6.504 15.549
150 H ARG 24 H ARG 24 -16.446 -6.928 16.776
151 HA ARG 24 HA ARG 24 -14.048 -5.517 16.189
152 HB2 ARG 24 HB2 ARG 24 -14.289 -8.340 17.234
153 HB3 ARG 24 HB3 ARG 24 -12.922 -7.250 17.418
154 HG2 ARG 24 HG2 ARG 24 -15.001 -5.829 18.523
155 HG3 ARG 24 HG3 ARG 24 -15.344 -7.492 19.003
156 HD2 ARG 24 HD2 ARG 24 -13.985 -6.575 20.709
157 HD3 ARG 24 HD3 ARG 24 -12.943 -7.639 19.764
158 HE ARG 24 HE ARG 24 -12.882 -4.891 18.916
159 HH11 ARG 24 HH11 ARG 24 -11.537 -7.256 21.088
160 HH12 ARG 24 HH12 ARG 24 -10.045 -6.402 21.303
161 HH21 ARG 24 HH21 ARG 24 -10.922 -3.757 19.191
162 HH22 ARG 24 HH22 ARG 24 -9.697 -4.411 20.224
163 H ASN 25 H ASN 25 -15.635 -8.333 14.825
164 HA ASN 25 HA ASN 25 -13.472 -9.269 13.271
165 HB2 ASN 25 HB2 ASN 25 -16.345 -9.580 12.441
166 HB3 ASN 25 HB3 ASN 25 -15.012 -10.713 12.246
167 HD21 ASN 25 HD21 ASN 25 -17.772 -10.251 13.849
168 HD22 ASN 25 HD22 ASN 25 -17.446 -11.128 15.301
169 H GLY 26 H GLY 26 -16.058 -6.950 12.624
170 HA2 GLY 26 HA2 GLY 26 -15.478 -6.591 9.871
171 HA3 GLY 26 HA3 GLY 26 -16.397 -5.488 10.884
172 H VAL 27 H VAL 27 -14.581 -4.679 12.736
173 HA VAL 27 HA VAL 27 -13.151 -2.687 11.402
174 HB VAL 27 HB VAL 27 -12.613 -3.777 14.168
175 HG11 VAL 27 HG11 VAL 27 -11.776 -1.260 12.760
176 HG12 VAL 27 HG12 VAL 27 -11.822 -1.377 14.520
177 HG13 VAL 27 HG13 VAL 27 -10.769 -2.445 13.592
178 HG21 VAL 27 HG21 VAL 27 -14.862 -2.372 13.108
179 HG22 VAL 27 HG22 VAL 27 -14.575 -2.919 14.760
180 HG23 VAL 27 HG23 VAL 27 -14.012 -1.328 14.248
181 H LYS 28 H LYS 28 -12.019 -5.749 12.801
182 HA LYS 28 HA LYS 28 -9.296 -5.395 12.149
183 HB2 LYS 28 HB2 LYS 28 -10.926 -7.883 12.668
184 HB3 LYS 28 HB3 LYS 28 -9.183 -7.902 12.433
185 HG2 LYS 28 HG2 LYS 28 -8.757 -6.958 14.460
186 HG3 LYS 28 HG3 LYS 28 -10.284 -6.073 14.494
187 HD2 LYS 28 HD2 LYS 28 -10.755 -7.664 16.057
188 HD3 LYS 28 HD3 LYS 28 -11.268 -8.537 14.610
189 HE2 LYS 28 HE2 LYS 28 -8.709 -9.260 14.622
190 HE3 LYS 28 HE3 LYS 28 -8.895 -8.948 16.347
191 HZ1 LYS 28 HZ1 LYS 28 -9.393 -11.217 15.979
192 HZ2 LYS 28 HZ2 LYS 28 -10.427 -10.868 14.688
193 HZ3 LYS 28 HZ3 LYS 28 -10.872 -10.448 16.265
194 H LEU 29 H LEU 29 -12.038 -6.430 10.303
195 HA LEU 29 HA LEU 29 -10.581 -7.741 8.227
196 HB2 LEU 29 HB2 LEU 29 -13.380 -6.787 8.597
197 HB3 LEU 29 HB3 LEU 29 -12.827 -7.192 6.974
198 HG LEU 29 HG LEU 29 -12.664 -9.120 9.280
199 HD11 LEU 29 HD11 LEU 29 -15.011 -8.350 8.814
200 HD12 LEU 29 HD12 LEU 29 -14.725 -10.078 8.610
201 HD13 LEU 29 HD13 LEU 29 -14.832 -9.030 7.196
202 HD21 LEU 29 HD21 LEU 29 -11.262 -9.384 7.160
203 HD22 LEU 29 HD22 LEU 29 -12.788 -9.714 6.340
204 HD23 LEU 29 HD23 LEU 29 -12.251 -10.757 7.658
205 H ARG 30 H ARG 30 -12.012 -4.511 8.582
206 HA ARG 30 HA ARG 30 -11.243 -3.584 6.019
207 HB2 ARG 30 HB2 ARG 30 -11.913 -2.075 8.551
208 HB3 ARG 30 HB3 ARG 30 -11.687 -1.320 6.979
209 HG2 ARG 30 HG2 ARG 30 -13.535 -3.254 6.425
210 HG3 ARG 30 HG3 ARG 30 -13.981 -2.761 8.059
211 HD2 ARG 30 HD2 ARG 30 -13.368 -0.465 6.432
212 HD3 ARG 30 HD3 ARG 30 -14.599 -1.463 5.660
213 HE ARG 30 HE ARG 30 -15.077 -0.930 8.452
214 HH11 ARG 30 HH11 ARG 30 -15.555 0.163 5.181
215 HH12 ARG 30 HH12 ARG 30 -16.953 1.112 5.564
216 HH21 ARG 30 HH21 ARG 30 -16.917 0.316 8.968
217 HH22 ARG 30 HH22 ARG 30 -17.726 1.199 7.718
218 H ALA 31 H ALA 31 -9.505 -4.079 8.916
219 HA ALA 31 HA ALA 31 -7.418 -2.160 8.294
220 HB1 ALA 31 HB1 ALA 31 -6.395 -2.834 10.347
221 HB2 ALA 31 HB2 ALA 31 -8.126 -2.651 10.635
222 HB3 ALA 31 HB3 ALA 31 -7.427 -4.260 10.454
223 H ASN 32 H ASN 32 -7.559 -5.700 8.742
224 HA ASN 32 HA ASN 32 -4.993 -6.084 7.523
225 HB2 ASN 32 HB2 ASN 32 -7.122 -8.137 8.165
226 HB3 ASN 32 HB3 ASN 32 -5.426 -8.464 7.820
227 HD21 ASN 32 HD21 ASN 32 -7.546 -8.388 10.222
228 HD22 ASN 32 HD22 ASN 32 -6.529 -7.926 11.540
229 H CYS 33 H CYS 33 -8.089 -5.568 6.320
230 HA CYS 33 HA CYS 33 -7.234 -6.437 3.658
231 HB2 CYS 33 HB2 CYS 33 -10.068 -6.930 4.516
232 HB3 CYS 33 HB3 CYS 33 -9.169 -7.659 3.189
233 H LYS 34 H LYS 34 -6.910 -3.967 3.971
234 HA LYS 34 HA LYS 34 -9.125 -2.232 3.944
235 HB2 LYS 34 HB2 LYS 34 -6.486 -1.671 2.600
236 HB3 LYS 34 HB3 LYS 34 -7.600 -0.517 3.321
237 HG2 LYS 34 HG2 LYS 34 -7.019 -2.114 5.446
238 HG3 LYS 34 HG3 LYS 34 -5.496 -2.129 4.555
239 HD2 LYS 34 HD2 LYS 34 -5.099 0.073 4.931
240 HD3 LYS 34 HD3 LYS 34 -6.810 0.500 4.875
241 HE2 LYS 34 HE2 LYS 34 -7.046 0.297 7.093
242 HE3 LYS 34 HE3 LYS 34 -6.107 -1.194 7.146
243 HZ1 LYS 34 HZ1 LYS 34 -4.566 0.040 8.146
244 HZ2 LYS 34 HZ2 LYS 34 -5.287 1.501 7.693
245 HZ3 LYS 34 HZ3 LYS 34 -4.243 0.706 6.625
246 H LYS 35 H LYS 35 -7.841 -4.298 1.545
247 HA LYS 35 HA LYS 35 -9.104 -2.828 -0.641
248 HB2 LYS 35 HB2 LYS 35 -6.885 -3.686 -1.088
249 HB3 LYS 35 HB3 LYS 35 -7.377 -5.308 -0.618
250 HG2 LYS 35 HG2 LYS 35 -9.157 -4.558 -2.630
251 HG3 LYS 35 HG3 LYS 35 -7.572 -4.000 -3.171
252 HD2 LYS 35 HD2 LYS 35 -6.860 -6.087 -3.552
253 HD3 LYS 35 HD3 LYS 35 -7.496 -6.672 -2.013
254 HE2 LYS 35 HE2 LYS 35 -9.481 -7.316 -2.923
255 HE3 LYS 35 HE3 LYS 35 -9.457 -6.046 -4.145
256 HZ1 LYS 35 HZ1 LYS 35 -7.603 -8.349 -4.241
257 HZ2 LYS 35 HZ2 LYS 35 -8.003 -7.274 -5.484
258 HZ3 LYS 35 HZ3 LYS 35 -9.140 -8.406 -4.947
259 H THR 36 H THR 36 -9.117 -6.149 0.659
260 HA THR 36 HA THR 36 -11.195 -7.195 -0.811
261 HB THR 36 HB THR 36 -10.800 -7.801 2.119
262 HG1 THR 36 HG1 THR 36 -9.434 -9.087 -0.009
263 HG21 THR 36 HG21 THR 36 -11.709 -9.916 1.642
264 HG22 THR 36 HG22 THR 36 -11.517 -9.701 -0.098
265 HG23 THR 36 HG23 THR 36 -12.744 -8.783 0.774
266 H CYS 37 H CYS 37 -11.327 -4.982 1.883
267 HA CYS 37 HA CYS 37 -14.204 -5.252 2.168
268 HB2 CYS 37 HB2 CYS 37 -12.175 -3.484 3.543
269 HB3 CYS 37 HB3 CYS 37 -13.902 -3.433 3.885
270 H GLY 38 H GLY 38 -11.878 -3.114 0.686
271 HA2 GLY 38 HA2 GLY 38 -12.401 -1.704 -1.139
272 HA3 GLY 38 HA3 GLY 38 -14.083 -1.708 -0.629
273 H LEU 39 H LEU 39 -10.874 -0.461 0.172
274 HA LEU 39 HA LEU 39 -12.178 1.925 1.287
275 HB2 LEU 39 HB2 LEU 39 -9.845 0.423 2.458
276 HB3 LEU 39 HB3 LEU 39 -10.328 2.041 2.963
277 HG LEU 39 HG LEU 39 -12.377 -0.105 3.086
278 HD11 LEU 39 HD11 LEU 39 -11.026 -0.085 5.569
279 HD12 LEU 39 HD12 LEU 39 -9.829 -0.405 4.315
280 HD13 LEU 39 HD13 LEU 39 -11.254 -1.434 4.456
281 HD21 LEU 39 HD21 LEU 39 -13.171 1.152 4.933
282 HD22 LEU 39 HD22 LEU 39 -12.750 2.314 3.674
283 HD23 LEU 39 HD23 LEU 39 -11.668 2.067 5.045
284 H CYS 40 H CYS 40 -10.386 0.812 -1.129
285 HA CYS 40 HA CYS 40 -8.158 2.576 -1.184
286 HB2 CYS 40 HB2 CYS 40 -9.491 1.325 -3.586
287 HB3 CYS 40 HB3 CYS 40 -7.809 1.818 -3.420
Start of MODEL 19
1 H1 ALA 1 H ALA 1 2.718 3.968 2.504
2 HA ALA 1 HA ALA 1 1.126 2.782 3.632
3 HB1 ALA 1 HB1 ALA 1 1.127 4.807 5.142
4 HB2 ALA 1 HB2 ALA 1 -0.274 5.376 4.233
5 HB3 ALA 1 HB3 ALA 1 -0.359 3.857 5.125
6 H ALA 2 H ALA 2 0.776 2.353 1.203
7 HA ALA 2 HA ALA 2 -1.444 3.461 -0.136
8 HB1 ALA 2 HB1 ALA 2 -1.266 1.465 -1.606
9 HB2 ALA 2 HB2 ALA 2 0.260 2.320 -1.380
10 HB3 ALA 2 HB3 ALA 2 -0.046 0.818 -0.509
11 H CYS 3 H CYS 3 -3.169 1.689 -0.970
12 HA CYS 3 HA CYS 3 -4.413 0.604 1.472
13 HB2 CYS 3 HB2 CYS 3 -5.767 2.400 0.690
14 HB3 CYS 3 HB3 CYS 3 -5.650 1.854 -0.979
15 H SER 4 H SER 4 -4.706 -1.520 1.545
16 HA SER 4 HA SER 4 -5.612 -3.133 -0.544
17 HB2 SER 4 HB2 SER 4 -3.347 -4.461 -0.742
18 HB3 SER 4 HB3 SER 4 -3.637 -3.046 -1.753
19 HG SER 4 HG SER 4 -1.659 -3.431 -0.060
20 H ASP 5 H ASP 5 -4.759 -5.584 -0.022
21 HA ASP 5 HA ASP 5 -5.605 -5.995 2.724
22 HB2 ASP 5 HB2 ASP 5 -5.072 -7.936 0.467
23 HB3 ASP 5 HB3 ASP 5 -5.636 -8.408 2.067
24 H ARG 6 H ARG 6 -4.367 -6.738 4.360
25 HA ARG 6 HA ARG 6 -1.541 -7.314 3.754
26 HB2 ARG 6 HB2 ARG 6 -1.360 -6.524 6.296
27 HB3 ARG 6 HB3 ARG 6 -1.270 -5.394 4.951
28 HG2 ARG 6 HG2 ARG 6 -3.911 -6.009 6.196
29 HG3 ARG 6 HG3 ARG 6 -2.803 -4.881 6.980
30 HD2 ARG 6 HD2 ARG 6 -3.283 -4.503 4.083
31 HD3 ARG 6 HD3 ARG 6 -4.618 -4.121 5.170
32 HE ARG 6 HE ARG 6 -3.336 -2.393 6.105
33 HH11 ARG 6 HH11 ARG 6 -1.632 -4.089 3.587
34 HH12 ARG 6 HH12 ARG 6 -0.432 -2.855 3.389
35 HH21 ARG 6 HH21 ARG 6 -1.762 -0.762 5.854
36 HH22 ARG 6 HH22 ARG 6 -0.506 -0.964 4.679
37 H ALA 7 H ALA 7 -4.435 -8.359 5.263
38 HA ALA 7 HA ALA 7 -3.575 -10.047 7.271
39 HB1 ALA 7 HB1 ALA 7 -5.972 -9.477 6.296
40 HB2 ALA 7 HB2 ALA 7 -5.742 -11.035 5.500
41 HB3 ALA 7 HB3 ALA 7 -5.675 -10.924 7.259
42 H HIS 8 H HIS 8 -3.739 -12.532 7.123
43 HA HIS 8 HA HIS 8 -1.563 -13.512 5.716
44 HB2 HIS 8 HB2 HIS 8 -3.868 -14.740 7.135
45 HB3 HIS 8 HB3 HIS 8 -2.945 -15.784 6.058
46 HD1 HIS 8 HD1 HIS 8 -2.379 -13.510 9.043
47 HD2 HIS 8 HD2 HIS 8 -0.665 -16.787 7.150
48 HE1 HIS 8 HE1 HIS 8 -0.494 -14.240 10.538
49 H GLY 9 H GLY 9 -4.833 -13.032 4.672
50 HA2 GLY 9 HA2 GLY 9 -4.965 -12.816 2.175
51 HA3 GLY 9 HA3 GLY 9 -4.195 -14.395 2.128
52 H HIS 10 H HIS 10 -5.431 -16.086 3.519
53 HA HIS 10 HA HIS 10 -8.015 -16.351 2.369
54 HB2 HIS 10 HB2 HIS 10 -6.328 -18.188 3.120
55 HB3 HIS 10 HB3 HIS 10 -7.080 -17.996 4.701
56 HD1 HIS 10 HD1 HIS 10 -9.114 -17.780 1.561
57 HD2 HIS 10 HD2 HIS 10 -8.310 -20.495 4.602
58 HE1 HIS 10 HE1 HIS 10 -10.798 -19.626 1.277
59 H ILE 11 H ILE 11 -6.886 -14.788 5.160
60 HA ILE 11 HA ILE 11 -9.114 -15.121 6.872
61 HB ILE 11 HB ILE 11 -7.127 -12.850 6.742
62 HG12 ILE 11 HG12 ILE 11 -6.541 -15.418 7.284
63 HG13 ILE 11 HG13 ILE 11 -5.725 -14.068 8.064
64 HG21 ILE 11 HG21 ILE 11 -9.223 -13.573 8.770
65 HG22 ILE 11 HG22 ILE 11 -7.832 -12.563 9.163
66 HG23 ILE 11 HG23 ILE 11 -8.986 -12.037 7.937
67 HD11 ILE 11 HD11 ILE 11 -7.043 -14.294 10.017
68 HD12 ILE 11 HD12 ILE 11 -8.135 -15.432 9.226
69 HD13 ILE 11 HD13 ILE 11 -6.475 -15.906 9.584
70 H CYS 12 H CYS 12 -8.318 -12.732 4.393
71 HA CYS 12 HA CYS 12 -10.519 -11.020 4.889
72 HB2 CYS 12 HB2 CYS 12 -9.131 -11.362 2.232
73 HB3 CYS 12 HB3 CYS 12 -9.936 -9.926 2.855
74 H GLU 13 H GLU 13 -9.998 -13.617 2.517
75 HA GLU 13 HA GLU 13 -12.567 -13.403 1.336
76 HB2 GLU 13 HB2 GLU 13 -10.333 -14.620 0.559
77 HB3 GLU 13 HB3 GLU 13 -11.110 -16.002 1.318
78 HG2 GLU 13 HG2 GLU 13 -13.019 -14.691 -0.330
79 HG3 GLU 13 HG3 GLU 13 -11.542 -14.935 -1.260
80 H SER 14 H SER 14 -11.228 -15.484 3.868
81 HA SER 14 HA SER 14 -13.395 -17.186 4.234
82 HB2 SER 14 HB2 SER 14 -11.264 -16.177 6.105
83 HB3 SER 14 HB3 SER 14 -12.524 -17.276 6.668
84 HG SER 14 HG SER 14 -10.747 -17.760 4.506
85 H PHE 15 H PHE 15 -12.836 -13.933 5.442
86 HA PHE 15 HA PHE 15 -15.610 -13.898 6.426
87 HB2 PHE 15 HB2 PHE 15 -13.271 -12.477 7.716
88 HB3 PHE 15 HB3 PHE 15 -14.939 -12.466 8.278
89 HD1 PHE 15 HD1 PHE 15 -15.965 -14.675 9.002
90 HD2 PHE 15 HD2 PHE 15 -11.785 -14.122 8.425
91 HE1 PHE 15 HE1 PHE 15 -15.515 -16.662 10.382
92 HE2 PHE 15 HE2 PHE 15 -11.328 -16.109 9.802
93 HZ PHE 15 HZ PHE 15 -13.195 -17.382 10.782
94 H LYS 16 H LYS 16 -14.944 -13.148 3.860
95 HA LYS 16 HA LYS 16 -14.434 -10.349 3.643
96 HB2 LYS 16 HB2 LYS 16 -15.153 -10.670 1.270
97 HB3 LYS 16 HB3 LYS 16 -13.875 -11.762 1.786
98 HG2 LYS 16 HG2 LYS 16 -15.096 -13.520 1.232
99 HG3 LYS 16 HG3 LYS 16 -16.418 -12.978 2.269
100 HD2 LYS 16 HD2 LYS 16 -16.061 -11.623 -0.352
101 HD3 LYS 16 HD3 LYS 16 -16.712 -13.264 -0.353
102 HE2 LYS 16 HE2 LYS 16 -18.220 -12.204 1.585
103 HE3 LYS 16 HE3 LYS 16 -17.895 -10.743 0.654
104 HZ1 LYS 16 HZ1 LYS 16 -19.312 -13.189 -0.185
105 HZ2 LYS 16 HZ2 LYS 16 -18.616 -12.165 -1.337
106 HZ3 LYS 16 HZ3 LYS 16 -19.815 -11.577 -0.298
107 H SER 17 H SER 17 -17.311 -12.333 3.873
108 HA SER 17 HA SER 17 -19.133 -10.234 3.175
109 HB2 SER 17 HB2 SER 17 -19.709 -12.610 2.852
110 HB3 SER 17 HB3 SER 17 -19.655 -12.857 4.597
111 HG SER 17 HG SER 17 -21.770 -12.501 4.066
112 H PHE 18 H PHE 18 -17.250 -10.759 5.852
113 HA PHE 18 HA PHE 18 -19.177 -9.541 7.701
114 HB2 PHE 18 HB2 PHE 18 -16.500 -10.823 8.291
115 HB3 PHE 18 HB3 PHE 18 -17.645 -10.225 9.487
116 HD1 PHE 18 HD1 PHE 18 -17.186 -12.748 6.817
117 HD2 PHE 18 HD2 PHE 18 -19.388 -11.577 10.267
118 HE1 PHE 18 HE1 PHE 18 -18.278 -14.952 6.864
119 HE2 PHE 18 HE2 PHE 18 -20.482 -13.780 10.320
120 HZ PHE 18 HZ PHE 18 -19.927 -15.472 8.618
121 H CYS 19 H CYS 19 -17.264 -8.382 5.500
122 HA CYS 19 HA CYS 19 -15.430 -6.693 6.808
123 HB2 CYS 19 HB2 CYS 19 -16.646 -6.829 4.098
124 HB3 CYS 19 HB3 CYS 19 -15.908 -5.302 4.570
125 H LYS 20 H LYS 20 -18.839 -6.541 6.458
126 HA LYS 20 HA LYS 20 -18.867 -3.725 7.310
127 HB2 LYS 20 HB2 LYS 20 -21.224 -3.708 6.598
128 HB3 LYS 20 HB3 LYS 20 -20.145 -4.154 5.282
129 HG2 LYS 20 HG2 LYS 20 -20.744 -6.596 6.208
130 HG3 LYS 20 HG3 LYS 20 -22.220 -5.736 6.656
131 HD2 LYS 20 HD2 LYS 20 -21.020 -5.659 3.892
132 HD3 LYS 20 HD3 LYS 20 -22.256 -6.818 4.387
133 HE2 LYS 20 HE2 LYS 20 -22.629 -3.852 4.688
134 HE3 LYS 20 HE3 LYS 20 -23.039 -4.700 3.199
135 HZ1 LYS 20 HZ1 LYS 20 -25.013 -4.959 4.192
136 HZ2 LYS 20 HZ2 LYS 20 -24.405 -4.679 5.745
137 HZ3 LYS 20 HZ3 LYS 20 -24.261 -6.212 5.044
138 H ASP 21 H ASP 21 -18.312 -6.041 9.039
139 HA ASP 21 HA ASP 21 -20.660 -6.419 10.666
140 HB2 ASP 21 HB2 ASP 21 -17.853 -7.405 10.686
141 HB3 ASP 21 HB3 ASP 21 -18.720 -7.407 12.219
142 H SER 22 H SER 22 -21.272 -5.273 12.389
143 HA SER 22 HA SER 22 -19.802 -2.890 13.078
144 HB2 SER 22 HB2 SER 22 -21.749 -2.633 14.744
145 HB3 SER 22 HB3 SER 22 -22.138 -2.576 13.025
146 HG SER 22 HG SER 22 -23.369 -4.237 13.329
147 H GLY 23 H GLY 23 -18.071 -4.742 13.706
148 HA2 GLY 23 HA2 GLY 23 -17.881 -4.547 16.583
149 HA3 GLY 23 HA3 GLY 23 -18.077 -6.191 15.992
150 H ARG 24 H ARG 24 -15.984 -6.588 16.962
151 HA ARG 24 HA ARG 24 -13.641 -5.268 16.065
152 HB2 ARG 24 HB2 ARG 24 -12.446 -7.187 17.101
153 HB3 ARG 24 HB3 ARG 24 -13.623 -6.439 18.172
154 HG2 ARG 24 HG2 ARG 24 -15.148 -8.364 17.074
155 HG3 ARG 24 HG3 ARG 24 -13.564 -9.141 17.011
156 HD2 ARG 24 HD2 ARG 24 -13.526 -8.128 19.518
157 HD3 ARG 24 HD3 ARG 24 -15.250 -8.446 19.324
158 HE ARG 24 HE ARG 24 -13.704 -10.679 18.502
159 HH11 ARG 24 HH11 ARG 24 -14.847 -8.999 21.329
160 HH12 ARG 24 HH12 ARG 24 -14.821 -10.408 22.337
161 HH21 ARG 24 HH21 ARG 24 -13.666 -12.542 19.819
162 HH22 ARG 24 HH22 ARG 24 -14.149 -12.422 21.477
163 H ASN 25 H ASN 25 -15.223 -8.296 15.122
164 HA ASN 25 HA ASN 25 -13.327 -9.260 13.342
165 HB2 ASN 25 HB2 ASN 25 -16.266 -9.589 13.660
166 HB3 ASN 25 HB3 ASN 25 -15.559 -10.113 12.135
167 HD21 ASN 25 HD21 ASN 25 -14.907 -10.331 15.617
168 HD22 ASN 25 HD22 ASN 25 -14.443 -11.995 15.598
169 H GLY 26 H GLY 26 -15.986 -6.982 12.764
170 HA2 GLY 26 HA2 GLY 26 -15.507 -6.704 9.978
171 HA3 GLY 26 HA3 GLY 26 -16.446 -5.607 10.980
172 H VAL 27 H VAL 27 -14.596 -4.679 12.758
173 HA VAL 27 HA VAL 27 -13.311 -2.654 11.331
174 HB VAL 27 HB VAL 27 -12.659 -3.679 14.098
175 HG11 VAL 27 HG11 VAL 27 -11.807 -1.325 14.411
176 HG12 VAL 27 HG12 VAL 27 -10.824 -2.363 13.377
177 HG13 VAL 27 HG13 VAL 27 -11.886 -1.152 12.658
178 HG21 VAL 27 HG21 VAL 27 -14.091 -1.179 13.960
179 HG22 VAL 27 HG22 VAL 27 -14.984 -2.464 13.145
180 HG23 VAL 27 HG23 VAL 27 -14.498 -2.659 14.829
181 H LYS 28 H LYS 28 -11.976 -5.629 12.744
182 HA LYS 28 HA LYS 28 -9.305 -5.172 11.970
183 HB2 LYS 28 HB2 LYS 28 -10.786 -7.742 12.545
184 HB3 LYS 28 HB3 LYS 28 -9.047 -7.646 12.302
185 HG2 LYS 28 HG2 LYS 28 -10.547 -6.172 14.456
186 HG3 LYS 28 HG3 LYS 28 -9.725 -7.717 14.681
187 HD2 LYS 28 HD2 LYS 28 -8.020 -6.371 15.324
188 HD3 LYS 28 HD3 LYS 28 -7.723 -6.308 13.585
189 HE2 LYS 28 HE2 LYS 28 -7.854 -4.089 13.796
190 HE3 LYS 28 HE3 LYS 28 -9.592 -4.325 13.973
191 HZ1 LYS 28 HZ1 LYS 28 -9.517 -3.883 16.160
192 HZ2 LYS 28 HZ2 LYS 28 -8.079 -3.081 15.774
193 HZ3 LYS 28 HZ3 LYS 28 -8.029 -4.654 16.395
194 H LEU 29 H LEU 29 -12.066 -6.416 10.263
195 HA LEU 29 HA LEU 29 -10.634 -7.664 8.141
196 HB2 LEU 29 HB2 LEU 29 -13.459 -6.818 8.592
197 HB3 LEU 29 HB3 LEU 29 -12.941 -7.259 6.966
198 HG LEU 29 HG LEU 29 -12.625 -9.093 9.333
199 HD11 LEU 29 HD11 LEU 29 -15.003 -8.501 9.005
200 HD12 LEU 29 HD12 LEU 29 -14.657 -10.197 8.668
201 HD13 LEU 29 HD13 LEU 29 -14.883 -9.062 7.337
202 HD21 LEU 29 HD21 LEU 29 -11.280 -9.383 7.183
203 HD22 LEU 29 HD22 LEU 29 -12.816 -9.791 6.418
204 HD23 LEU 29 HD23 LEU 29 -12.207 -10.773 7.752
205 H ARG 30 H ARG 30 -12.223 -4.506 8.490
206 HA ARG 30 HA ARG 30 -11.533 -3.597 5.887
207 HB2 ARG 30 HB2 ARG 30 -12.324 -2.060 8.368
208 HB3 ARG 30 HB3 ARG 30 -12.179 -1.359 6.761
209 HG2 ARG 30 HG2 ARG 30 -13.860 -3.428 6.273
210 HG3 ARG 30 HG3 ARG 30 -14.313 -2.996 7.923
211 HD2 ARG 30 HD2 ARG 30 -13.962 -0.643 6.289
212 HD3 ARG 30 HD3 ARG 30 -15.127 -1.749 5.562
213 HE ARG 30 HE ARG 30 -15.558 -1.281 8.367
214 HH11 ARG 30 HH11 ARG 30 -16.204 -0.155 5.137
215 HH12 ARG 30 HH12 ARG 30 -17.654 0.684 5.579
216 HH21 ARG 30 HH21 ARG 30 -17.465 -0.180 8.962
217 HH22 ARG 30 HH22 ARG 30 -18.370 0.670 7.756
218 H ALA 31 H ALA 31 -9.730 -4.003 8.715
219 HA ALA 31 HA ALA 31 -7.788 -1.930 8.025
220 HB1 ALA 31 HB1 ALA 31 -7.795 -3.812 10.380
221 HB2 ALA 31 HB2 ALA 31 -6.750 -2.410 10.151
222 HB3 ALA 31 HB3 ALA 31 -8.485 -2.189 10.379
223 H ASN 32 H ASN 32 -7.823 -5.434 8.692
224 HA ASN 32 HA ASN 32 -5.178 -5.782 7.615
225 HB2 ASN 32 HB2 ASN 32 -7.256 -7.830 8.422
226 HB3 ASN 32 HB3 ASN 32 -5.575 -8.183 8.031
227 HD21 ASN 32 HD21 ASN 32 -7.579 -7.957 10.510
228 HD22 ASN 32 HD22 ASN 32 -6.514 -7.391 11.747
229 H CYS 33 H CYS 33 -8.286 -5.572 6.308
230 HA CYS 33 HA CYS 33 -7.291 -6.542 3.731
231 HB2 CYS 33 HB2 CYS 33 -10.058 -7.249 4.703
232 HB3 CYS 33 HB3 CYS 33 -9.221 -7.860 3.279
233 H LYS 34 H LYS 34 -7.193 -4.027 3.914
234 HA LYS 34 HA LYS 34 -9.536 -2.493 3.717
235 HB2 LYS 34 HB2 LYS 34 -6.915 -1.818 2.386
236 HB3 LYS 34 HB3 LYS 34 -8.141 -0.706 2.980
237 HG2 LYS 34 HG2 LYS 34 -7.510 -2.065 5.246
238 HG3 LYS 34 HG3 LYS 34 -5.960 -2.045 4.401
239 HD2 LYS 34 HD2 LYS 34 -7.328 0.523 4.304
240 HD3 LYS 34 HD3 LYS 34 -6.999 -0.012 5.954
241 HE2 LYS 34 HE2 LYS 34 -4.762 0.197 5.713
242 HE3 LYS 34 HE3 LYS 34 -4.787 -0.344 4.035
243 HZ1 LYS 34 HZ1 LYS 34 -5.776 2.324 4.852
244 HZ2 LYS 34 HZ2 LYS 34 -5.385 1.787 3.297
245 HZ3 LYS 34 HZ3 LYS 34 -4.160 2.049 4.434
246 H LYS 35 H LYS 35 -7.916 -4.505 1.430
247 HA LYS 35 HA LYS 35 -9.167 -3.310 -0.886
248 HB2 LYS 35 HB2 LYS 35 -6.884 -4.662 -0.642
249 HB3 LYS 35 HB3 LYS 35 -7.940 -6.022 -1.002
250 HG2 LYS 35 HG2 LYS 35 -8.386 -5.291 -3.132
251 HG3 LYS 35 HG3 LYS 35 -8.040 -3.605 -2.741
252 HD2 LYS 35 HD2 LYS 35 -5.717 -5.297 -2.368
253 HD3 LYS 35 HD3 LYS 35 -6.344 -5.399 -4.015
254 HE2 LYS 35 HE2 LYS 35 -6.325 -2.916 -4.111
255 HE3 LYS 35 HE3 LYS 35 -5.559 -2.898 -2.524
256 HZ1 LYS 35 HZ1 LYS 35 -3.825 -4.406 -3.641
257 HZ2 LYS 35 HZ2 LYS 35 -3.783 -2.748 -3.971
258 HZ3 LYS 35 HZ3 LYS 35 -4.454 -3.817 -5.097
259 H THR 36 H THR 36 -9.328 -6.532 0.641
260 HA THR 36 HA THR 36 -11.418 -7.593 -0.796
261 HB THR 36 HB THR 36 -10.848 -7.996 2.146
262 HG1 THR 36 HG1 THR 36 -9.265 -8.529 0.292
263 HG21 THR 36 HG21 THR 36 -13.104 -8.748 1.544
264 HG22 THR 36 HG22 THR 36 -12.047 -10.114 1.901
265 HG23 THR 36 HG23 THR 36 -12.432 -9.710 0.228
266 H CYS 37 H CYS 37 -11.522 -5.231 1.775
267 HA CYS 37 HA CYS 37 -14.420 -5.369 1.973
268 HB2 CYS 37 HB2 CYS 37 -12.408 -3.583 3.356
269 HB3 CYS 37 HB3 CYS 37 -14.138 -3.587 3.683
270 H GLY 38 H GLY 38 -11.946 -3.420 0.487
271 HA2 GLY 38 HA2 GLY 38 -12.210 -1.927 -1.278
272 HA3 GLY 38 HA3 GLY 38 -13.953 -2.046 -1.082
273 H LEU 39 H LEU 39 -11.030 -0.552 0.206
274 HA LEU 39 HA LEU 39 -12.709 1.645 1.221
275 HB2 LEU 39 HB2 LEU 39 -10.220 0.469 2.443
276 HB3 LEU 39 HB3 LEU 39 -10.942 1.991 2.959
277 HG LEU 39 HG LEU 39 -12.710 -0.381 2.976
278 HD11 LEU 39 HD11 LEU 39 -11.212 -0.232 5.440
279 HD12 LEU 39 HD12 LEU 39 -10.173 -0.643 4.076
280 HD13 LEU 39 HD13 LEU 39 -11.591 -1.629 4.433
281 HD21 LEU 39 HD21 LEU 39 -13.724 0.714 4.756
282 HD22 LEU 39 HD22 LEU 39 -13.201 2.041 3.719
283 HD23 LEU 39 HD23 LEU 39 -12.268 1.624 5.157
284 H CYS 40 H CYS 40 -10.424 0.745 -0.986
285 HA CYS 40 HA CYS 40 -8.749 3.071 -0.944
286 HB2 CYS 40 HB2 CYS 40 -9.143 1.213 -3.286
287 HB3 CYS 40 HB3 CYS 40 -7.727 2.184 -2.896
Start of MODEL 20
1 H1 ALA 1 H ALA 1 -0.388 7.412 0.182
2 HA ALA 1 HA ALA 1 -0.261 5.847 2.017
3 HB1 ALA 1 HB1 ALA 1 -1.542 6.474 3.736
4 HB2 ALA 1 HB2 ALA 1 -2.711 7.281 2.690
5 HB3 ALA 1 HB3 ALA 1 -2.818 5.541 2.952
6 H ALA 2 H ALA 2 0.042 4.238 0.562
7 HA ALA 2 HA ALA 2 -1.738 3.420 -1.427
8 HB1 ALA 2 HB1 ALA 2 0.372 1.785 -0.023
9 HB2 ALA 2 HB2 ALA 2 -0.397 1.379 -1.559
10 HB3 ALA 2 HB3 ALA 2 0.622 2.814 -1.434
11 H CYS 3 H CYS 3 -2.877 1.329 -1.568
12 HA CYS 3 HA CYS 3 -3.943 0.416 1.014
13 HB2 CYS 3 HB2 CYS 3 -5.418 2.064 -0.450
14 HB3 CYS 3 HB3 CYS 3 -5.787 0.583 -1.328
15 H SER 4 H SER 4 -4.413 -1.746 1.161
16 HA SER 4 HA SER 4 -4.763 -3.533 -0.949
17 HB2 SER 4 HB2 SER 4 -1.934 -2.969 -0.237
18 HB3 SER 4 HB3 SER 4 -2.370 -4.661 -0.478
19 HG SER 4 HG SER 4 -1.839 -3.940 -2.467
20 H ASP 5 H ASP 5 -3.811 -5.874 -0.082
21 HA ASP 5 HA ASP 5 -5.056 -6.133 2.559
22 HB2 ASP 5 HB2 ASP 5 -4.310 -8.517 0.929
23 HB3 ASP 5 HB3 ASP 5 -5.705 -8.262 1.974
24 H ARG 6 H ARG 6 -4.011 -6.970 4.302
25 HA ARG 6 HA ARG 6 -1.155 -7.608 3.946
26 HB2 ARG 6 HB2 ARG 6 -1.170 -6.871 6.498
27 HB3 ARG 6 HB3 ARG 6 -0.985 -5.702 5.198
28 HG2 ARG 6 HG2 ARG 6 -3.726 -6.333 6.163
29 HG3 ARG 6 HG3 ARG 6 -2.686 -5.309 7.155
30 HD2 ARG 6 HD2 ARG 6 -3.129 -4.780 4.232
31 HD3 ARG 6 HD3 ARG 6 -4.218 -4.155 5.469
32 HE ARG 6 HE ARG 6 -1.663 -3.130 4.784
33 HH11 ARG 6 HH11 ARG 6 -3.793 -3.659 7.486
34 HH12 ARG 6 HH12 ARG 6 -3.142 -2.354 8.422
35 HH21 ARG 6 HH21 ARG 6 -0.798 -1.409 6.006
36 HH22 ARG 6 HH22 ARG 6 -1.439 -1.074 7.579
37 H ALA 7 H ALA 7 -4.188 -8.507 5.375
38 HA ALA 7 HA ALA 7 -3.445 -10.330 7.307
39 HB1 ALA 7 HB1 ALA 7 -5.617 -10.898 7.355
40 HB2 ALA 7 HB2 ALA 7 -5.807 -9.560 6.221
41 HB3 ALA 7 HB3 ALA 7 -5.679 -11.213 5.621
42 H HIS 8 H HIS 8 -3.835 -12.794 7.055
43 HA HIS 8 HA HIS 8 -1.740 -13.913 5.653
44 HB2 HIS 8 HB2 HIS 8 -4.221 -14.983 6.896
45 HB3 HIS 8 HB3 HIS 8 -3.346 -16.049 5.800
46 HD1 HIS 8 HD1 HIS 8 -1.398 -17.269 6.760
47 HD2 HIS 8 HD2 HIS 8 -2.560 -14.056 9.124
48 HE1 HIS 8 HE1 HIS 8 -0.006 -17.432 8.848
49 H GLY 9 H GLY 9 -4.932 -13.099 4.537
50 HA2 GLY 9 HA2 GLY 9 -5.046 -12.688 2.094
51 HA3 GLY 9 HA3 GLY 9 -4.241 -14.237 1.898
52 H HIS 10 H HIS 10 -5.516 -16.022 3.277
53 HA HIS 10 HA HIS 10 -8.035 -16.275 1.955
54 HB2 HIS 10 HB2 HIS 10 -8.198 -18.404 3.301
55 HB3 HIS 10 HB3 HIS 10 -6.765 -18.272 2.285
56 HD1 HIS 10 HD1 HIS 10 -7.834 -18.132 5.891
57 HD2 HIS 10 HD2 HIS 10 -4.352 -18.303 3.631
58 HE1 HIS 10 HE1 HIS 10 -5.984 -18.567 7.538
59 H ILE 11 H ILE 11 -7.047 -14.881 4.887
60 HA ILE 11 HA ILE 11 -9.379 -15.351 6.443
61 HB ILE 11 HB ILE 11 -7.356 -13.118 6.660
62 HG12 ILE 11 HG12 ILE 11 -6.971 -15.827 7.041
63 HG13 ILE 11 HG13 ILE 11 -5.984 -14.543 7.729
64 HG21 ILE 11 HG21 ILE 11 -8.176 -12.978 9.011
65 HG22 ILE 11 HG22 ILE 11 -9.359 -12.482 7.802
66 HG23 ILE 11 HG23 ILE 11 -9.489 -14.067 8.564
67 HD11 ILE 11 HD11 ILE 11 -6.742 -16.260 9.357
68 HD12 ILE 11 HD12 ILE 11 -7.207 -14.610 9.773
69 HD13 ILE 11 HD13 ILE 11 -8.397 -15.714 9.086
70 H CYS 12 H CYS 12 -8.311 -12.611 4.445
71 HA CYS 12 HA CYS 12 -10.463 -10.909 4.907
72 HB2 CYS 12 HB2 CYS 12 -8.963 -11.193 2.297
73 HB3 CYS 12 HB3 CYS 12 -9.825 -9.770 2.873
74 H GLU 13 H GLU 13 -10.072 -13.449 2.464
75 HA GLU 13 HA GLU 13 -12.638 -12.985 1.282
76 HB2 GLU 13 HB2 GLU 13 -10.440 -14.955 0.941
77 HB3 GLU 13 HB3 GLU 13 -12.043 -15.447 0.411
78 HG2 GLU 13 HG2 GLU 13 -11.289 -12.777 -0.487
79 HG3 GLU 13 HG3 GLU 13 -10.226 -14.053 -1.078
80 H SER 14 H SER 14 -11.324 -15.290 3.614
81 HA SER 14 HA SER 14 -13.551 -16.970 3.826
82 HB2 SER 14 HB2 SER 14 -11.304 -16.279 5.702
83 HB3 SER 14 HB3 SER 14 -12.607 -17.351 6.216
84 HG SER 14 HG SER 14 -10.887 -18.536 5.327
85 H PHE 15 H PHE 15 -13.053 -13.759 4.924
86 HA PHE 15 HA PHE 15 -15.702 -13.778 6.160
87 HB2 PHE 15 HB2 PHE 15 -13.217 -12.684 7.494
88 HB3 PHE 15 HB3 PHE 15 -14.861 -12.401 8.060
89 HD1 PHE 15 HD1 PHE 15 -16.272 -14.497 8.593
90 HD2 PHE 15 HD2 PHE 15 -12.029 -14.510 8.263
91 HE1 PHE 15 HE1 PHE 15 -16.180 -16.577 9.904
92 HE2 PHE 15 HE2 PHE 15 -11.930 -16.590 9.572
93 HZ PHE 15 HZ PHE 15 -14.007 -17.627 10.394
94 H LYS 16 H LYS 16 -14.919 -12.821 3.635
95 HA LYS 16 HA LYS 16 -14.406 -10.021 3.682
96 HB2 LYS 16 HB2 LYS 16 -15.124 -10.135 1.272
97 HB3 LYS 16 HB3 LYS 16 -13.813 -11.222 1.709
98 HG2 LYS 16 HG2 LYS 16 -14.979 -13.009 1.100
99 HG3 LYS 16 HG3 LYS 16 -16.391 -12.491 2.025
100 HD2 LYS 16 HD2 LYS 16 -15.817 -11.041 -0.497
101 HD3 LYS 16 HD3 LYS 16 -16.407 -12.699 -0.637
102 HE2 LYS 16 HE2 LYS 16 -18.011 -11.479 1.308
103 HE3 LYS 16 HE3 LYS 16 -17.843 -10.291 0.016
104 HZ1 LYS 16 HZ1 LYS 16 -19.111 -12.928 -0.036
105 HZ2 LYS 16 HZ2 LYS 16 -18.360 -12.388 -1.452
106 HZ3 LYS 16 HZ3 LYS 16 -19.605 -11.478 -0.755
107 H SER 17 H SER 17 -17.293 -11.986 3.744
108 HA SER 17 HA SER 17 -19.109 -9.863 3.141
109 HB2 SER 17 HB2 SER 17 -19.338 -12.695 4.029
110 HB3 SER 17 HB3 SER 17 -20.714 -11.637 4.339
111 HG SER 17 HG SER 17 -20.971 -12.551 2.319
112 H PHE 18 H PHE 18 -17.284 -10.619 5.854
113 HA PHE 18 HA PHE 18 -19.182 -9.394 7.718
114 HB2 PHE 18 HB2 PHE 18 -16.523 -10.728 8.271
115 HB3 PHE 18 HB3 PHE 18 -17.667 -10.163 9.484
116 HD1 PHE 18 HD1 PHE 18 -17.206 -12.597 6.737
117 HD2 PHE 18 HD2 PHE 18 -19.447 -11.514 10.190
118 HE1 PHE 18 HE1 PHE 18 -18.322 -14.790 6.696
119 HE2 PHE 18 HE2 PHE 18 -20.566 -13.705 10.155
120 HZ PHE 18 HZ PHE 18 -20.004 -15.346 8.407
121 H CYS 19 H CYS 19 -17.305 -8.141 5.569
122 HA CYS 19 HA CYS 19 -15.477 -6.506 7.008
123 HB2 CYS 19 HB2 CYS 19 -16.508 -6.633 4.220
124 HB3 CYS 19 HB3 CYS 19 -15.793 -5.112 4.745
125 H LYS 20 H LYS 20 -18.855 -6.333 6.405
126 HA LYS 20 HA LYS 20 -18.957 -3.498 7.143
127 HB2 LYS 20 HB2 LYS 20 -21.385 -3.707 6.540
128 HB3 LYS 20 HB3 LYS 20 -20.272 -3.998 5.211
129 HG2 LYS 20 HG2 LYS 20 -21.196 -5.972 4.849
130 HG3 LYS 20 HG3 LYS 20 -20.795 -6.479 6.492
131 HD2 LYS 20 HD2 LYS 20 -23.132 -6.721 6.314
132 HD3 LYS 20 HD3 LYS 20 -22.886 -5.229 7.224
133 HE2 LYS 20 HE2 LYS 20 -23.248 -3.921 5.204
134 HE3 LYS 20 HE3 LYS 20 -23.431 -5.398 4.261
135 HZ1 LYS 20 HZ1 LYS 20 -25.362 -4.015 5.816
136 HZ2 LYS 20 HZ2 LYS 20 -25.223 -5.618 6.338
137 HZ3 LYS 20 HZ3 LYS 20 -25.584 -5.285 4.719
138 H ASP 21 H ASP 21 -18.509 -6.010 8.888
139 HA ASP 21 HA ASP 21 -20.782 -5.998 10.660
140 HB2 ASP 21 HB2 ASP 21 -18.106 -7.364 10.666
141 HB3 ASP 21 HB3 ASP 21 -19.123 -7.382 12.104
142 H SER 22 H SER 22 -21.026 -4.915 12.537
143 HA SER 22 HA SER 22 -19.243 -2.712 13.057
144 HB2 SER 22 HB2 SER 22 -21.912 -3.590 14.039
145 HB3 SER 22 HB3 SER 22 -20.964 -2.549 15.100
146 HG SER 22 HG SER 22 -21.683 -2.003 12.408
147 H GLY 23 H GLY 23 -19.106 -5.892 13.844
148 HA2 GLY 23 HA2 GLY 23 -18.218 -5.578 16.594
149 HA3 GLY 23 HA3 GLY 23 -18.315 -7.084 15.693
150 H ARG 24 H ARG 24 -16.151 -6.951 17.113
151 HA ARG 24 HA ARG 24 -13.943 -5.531 16.216
152 HB2 ARG 24 HB2 ARG 24 -12.592 -7.395 17.197
153 HB3 ARG 24 HB3 ARG 24 -13.822 -6.749 18.275
154 HG2 ARG 24 HG2 ARG 24 -15.162 -8.783 17.044
155 HG3 ARG 24 HG3 ARG 24 -13.523 -9.427 17.156
156 HD2 ARG 24 HD2 ARG 24 -13.859 -9.887 19.300
157 HD3 ARG 24 HD3 ARG 24 -14.114 -8.173 19.621
158 HE ARG 24 HE ARG 24 -16.139 -10.218 19.352
159 HH11 ARG 24 HH11 ARG 24 -15.428 -6.810 19.350
160 HH12 ARG 24 HH12 ARG 24 -17.052 -6.339 19.727
161 HH21 ARG 24 HH21 ARG 24 -18.281 -9.610 19.848
162 HH22 ARG 24 HH22 ARG 24 -18.674 -7.932 20.010
163 H ASN 25 H ASN 25 -15.200 -8.655 15.115
164 HA ASN 25 HA ASN 25 -13.188 -9.412 13.385
165 HB2 ASN 25 HB2 ASN 25 -16.119 -9.903 13.519
166 HB3 ASN 25 HB3 ASN 25 -15.302 -10.317 12.014
167 HD21 ASN 25 HD21 ASN 25 -16.407 -11.656 14.674
168 HD22 ASN 25 HD22 ASN 25 -15.246 -12.910 14.931
169 H GLY 26 H GLY 26 -15.799 -7.098 12.872
170 HA2 GLY 26 HA2 GLY 26 -15.328 -6.716 10.093
171 HA3 GLY 26 HA3 GLY 26 -16.231 -5.638 11.148
172 H VAL 27 H VAL 27 -14.334 -4.860 12.960
173 HA VAL 27 HA VAL 27 -13.006 -2.800 11.627
174 HB VAL 27 HB VAL 27 -12.198 -3.958 14.296
175 HG11 VAL 27 HG11 VAL 27 -10.571 -2.409 13.756
176 HG12 VAL 27 HG12 VAL 27 -11.700 -1.370 12.884
177 HG13 VAL 27 HG13 VAL 27 -11.732 -1.425 14.647
178 HG21 VAL 27 HG21 VAL 27 -13.754 -2.180 15.201
179 HG22 VAL 27 HG22 VAL 27 -14.421 -2.061 13.572
180 HG23 VAL 27 HG23 VAL 27 -14.529 -3.581 14.461
181 H LYS 28 H LYS 28 -11.745 -5.886 12.858
182 HA LYS 28 HA LYS 28 -9.071 -5.465 12.074
183 HB2 LYS 28 HB2 LYS 28 -10.625 -8.013 12.544
184 HB3 LYS 28 HB3 LYS 28 -8.889 -7.966 12.263
185 HG2 LYS 28 HG2 LYS 28 -10.315 -6.601 14.538
186 HG3 LYS 28 HG3 LYS 28 -9.457 -8.140 14.643
187 HD2 LYS 28 HD2 LYS 28 -7.428 -6.852 13.753
188 HD3 LYS 28 HD3 LYS 28 -8.339 -5.395 14.155
189 HE2 LYS 28 HE2 LYS 28 -8.228 -5.787 16.416
190 HE3 LYS 28 HE3 LYS 28 -8.059 -7.530 16.214
191 HZ1 LYS 28 HZ1 LYS 28 -5.820 -6.511 15.047
192 HZ2 LYS 28 HZ2 LYS 28 -5.908 -7.195 16.591
193 HZ3 LYS 28 HZ3 LYS 28 -6.033 -5.519 16.400
194 H LEU 29 H LEU 29 -11.885 -6.583 10.352
195 HA LEU 29 HA LEU 29 -10.530 -7.754 8.150
196 HB2 LEU 29 HB2 LEU 29 -13.310 -6.810 8.675
197 HB3 LEU 29 HB3 LEU 29 -12.828 -7.184 7.022
198 HG LEU 29 HG LEU 29 -12.582 -9.152 9.288
199 HD11 LEU 29 HD11 LEU 29 -14.825 -8.949 7.287
200 HD12 LEU 29 HD12 LEU 29 -14.935 -8.432 8.970
201 HD13 LEU 29 HD13 LEU 29 -14.655 -10.131 8.586
202 HD21 LEU 29 HD21 LEU 29 -11.240 -9.387 7.131
203 HD22 LEU 29 HD22 LEU 29 -12.787 -9.691 6.340
204 HD23 LEU 29 HD23 LEU 29 -12.226 -10.764 7.623
205 H ARG 30 H ARG 30 -11.968 -4.548 8.674
206 HA ARG 30 HA ARG 30 -11.283 -3.537 6.113
207 HB2 ARG 30 HB2 ARG 30 -11.895 -2.071 8.686
208 HB3 ARG 30 HB3 ARG 30 -11.800 -1.324 7.097
209 HG2 ARG 30 HG2 ARG 30 -13.598 -3.342 6.682
210 HG3 ARG 30 HG3 ARG 30 -13.963 -2.836 8.333
211 HD2 ARG 30 HD2 ARG 30 -13.541 -0.547 6.641
212 HD3 ARG 30 HD3 ARG 30 -14.771 -1.606 5.952
213 HE ARG 30 HE ARG 30 -15.113 -1.047 8.759
214 HH11 ARG 30 HH11 ARG 30 -15.824 -0.036 5.505
215 HH12 ARG 30 HH12 ARG 30 -17.238 0.859 5.952
216 HH21 ARG 30 HH21 ARG 30 -16.974 0.127 9.361
217 HH22 ARG 30 HH22 ARG 30 -17.891 0.951 8.146
218 H ALA 31 H ALA 31 -9.469 -4.104 8.938
219 HA ALA 31 HA ALA 31 -7.426 -2.131 8.291
220 HB1 ALA 31 HB1 ALA 31 -6.352 -2.817 10.345
221 HB2 ALA 31 HB2 ALA 31 -8.064 -2.512 10.641
222 HB3 ALA 31 HB3 ALA 31 -7.473 -4.168 10.513
223 H ASN 32 H ASN 32 -7.557 -5.663 8.789
224 HA ASN 32 HA ASN 32 -4.981 -6.069 7.608
225 HB2 ASN 32 HB2 ASN 32 -7.154 -8.075 8.253
226 HB3 ASN 32 HB3 ASN 32 -5.482 -8.462 7.856
227 HD21 ASN 32 HD21 ASN 32 -7.539 -8.289 10.321
228 HD22 ASN 32 HD22 ASN 32 -6.462 -7.886 11.611
229 H CYS 33 H CYS 33 -8.088 -5.595 6.365
230 HA CYS 33 HA CYS 33 -7.174 -6.435 3.710
231 HB2 CYS 33 HB2 CYS 33 -10.028 -6.925 4.473
232 HB3 CYS 33 HB3 CYS 33 -9.063 -7.693 3.217
233 H LYS 34 H LYS 34 -6.860 -3.967 4.020
234 HA LYS 34 HA LYS 34 -9.080 -2.237 3.963
235 HB2 LYS 34 HB2 LYS 34 -6.385 -1.711 2.709
236 HB3 LYS 34 HB3 LYS 34 -7.538 -0.521 3.299
237 HG2 LYS 34 HG2 LYS 34 -7.103 -2.004 5.535
238 HG3 LYS 34 HG3 LYS 34 -5.526 -2.077 4.745
239 HD2 LYS 34 HD2 LYS 34 -6.665 0.593 4.681
240 HD3 LYS 34 HD3 LYS 34 -6.485 -0.015 6.328
241 HE2 LYS 34 HE2 LYS 34 -4.214 -0.071 6.204
242 HE3 LYS 34 HE3 LYS 34 -4.208 -0.427 4.477
243 HZ1 LYS 34 HZ1 LYS 34 -5.264 2.093 4.675
244 HZ2 LYS 34 HZ2 LYS 34 -3.696 1.697 4.181
245 HZ3 LYS 34 HZ3 LYS 34 -3.999 2.087 5.799
246 H LYS 35 H LYS 35 -7.745 -4.295 1.583
247 HA LYS 35 HA LYS 35 -8.985 -2.827 -0.620
248 HB2 LYS 35 HB2 LYS 35 -6.745 -3.660 -1.027
249 HB3 LYS 35 HB3 LYS 35 -7.234 -5.290 -0.582
250 HG2 LYS 35 HG2 LYS 35 -8.982 -4.546 -2.619
251 HG3 LYS 35 HG3 LYS 35 -7.399 -3.952 -3.125
252 HD2 LYS 35 HD2 LYS 35 -6.653 -6.019 -3.536
253 HD3 LYS 35 HD3 LYS 35 -7.274 -6.630 -2.001
254 HE2 LYS 35 HE2 LYS 35 -8.456 -7.838 -3.611
255 HE3 LYS 35 HE3 LYS 35 -9.575 -6.564 -3.129
256 HZ1 LYS 35 HZ1 LYS 35 -7.844 -6.505 -5.542
257 HZ2 LYS 35 HZ2 LYS 35 -8.951 -5.310 -5.087
258 HZ3 LYS 35 HZ3 LYS 35 -9.501 -6.845 -5.534
259 H THR 36 H THR 36 -9.055 -6.074 0.832
260 HA THR 36 HA THR 36 -11.082 -7.166 -0.730
261 HB THR 36 HB THR 36 -10.702 -7.775 2.202
262 HG1 THR 36 HG1 THR 36 -8.675 -7.930 1.276
263 HG21 THR 36 HG21 THR 36 -12.600 -8.753 0.658
264 HG22 THR 36 HG22 THR 36 -11.736 -9.788 1.795
265 HG23 THR 36 HG23 THR 36 -11.295 -9.792 0.088
266 H CYS 37 H CYS 37 -11.252 -4.997 2.008
267 HA CYS 37 HA CYS 37 -14.121 -5.282 2.279
268 HB2 CYS 37 HB2 CYS 37 -12.067 -3.543 3.639
269 HB3 CYS 37 HB3 CYS 37 -13.794 -3.358 3.931
270 H GLY 38 H GLY 38 -12.330 -3.899 -0.009
271 HA2 GLY 38 HA2 GLY 38 -12.626 -2.187 -1.514
272 HA3 GLY 38 HA3 GLY 38 -14.337 -2.397 -1.171
273 H LEU 39 H LEU 39 -11.440 -0.932 0.303
274 HA LEU 39 HA LEU 39 -13.144 1.318 1.149
275 HB2 LEU 39 HB2 LEU 39 -10.564 0.364 2.382
276 HB3 LEU 39 HB3 LEU 39 -11.551 1.709 2.949
277 HG LEU 39 HG LEU 39 -12.924 -0.894 2.807
278 HD11 LEU 39 HD11 LEU 39 -10.534 -0.424 4.542
279 HD12 LEU 39 HD12 LEU 39 -10.997 -1.868 3.643
280 HD13 LEU 39 HD13 LEU 39 -11.872 -1.424 5.108
281 HD21 LEU 39 HD21 LEU 39 -12.813 0.719 5.270
282 HD22 LEU 39 HD22 LEU 39 -14.194 0.003 4.438
283 HD23 LEU 39 HD23 LEU 39 -13.503 1.519 3.857
284 H CYS 40 H CYS 40 -10.769 0.402 -0.989
285 HA CYS 40 HA CYS 40 -10.065 3.200 -1.492
286 HB2 CYS 40 HB2 CYS 40 -7.991 1.007 -1.566
287 HB3 CYS 40 HB3 CYS 40 -7.731 2.742 -1.722
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