Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
505014 | 2eoe RC | 11167 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H GLY 1 -23.073 -2.337 -15.193
2 HA2 GLY 1 1HA GLY 1 -21.373 -4.450 -14.800
3 HA3 GLY 1 2HA GLY 1 -20.356 -3.200 -15.501
4 H SER 2 H SER 2 -22.265 -4.139 -12.734
5 HA SER 2 HA SER 2 -22.540 -3.163 -10.664
6 HB2 SER 2 1HB SER 2 -20.274 -4.360 -10.714
7 HB3 SER 2 2HB SER 2 -19.557 -2.754 -10.845
8 HG SER 2 HG SER 2 -20.254 -2.260 -8.848
9 H SER 3 H SER 3 -23.108 -1.275 -12.612
10 HA SER 3 HA SER 3 -21.668 1.160 -12.021
11 HB2 SER 3 1HB SER 3 -23.826 0.350 -13.906
12 HB3 SER 3 2HB SER 3 -23.745 2.053 -13.453
13 HG SER 3 HG SER 3 -21.764 0.474 -14.712
14 H GLY 4 H GLY 4 -22.755 0.075 -9.707
15 HA2 GLY 4 1HA GLY 4 -25.208 1.541 -9.130
16 HA3 GLY 4 2HA GLY 4 -24.398 0.405 -8.062
17 H SER 5 H SER 5 -25.057 2.305 -6.604
18 HA SER 5 HA SER 5 -23.037 4.434 -6.673
19 HB2 SER 5 1HB SER 5 -25.544 4.949 -6.503
20 HB3 SER 5 2HB SER 5 -25.440 4.338 -4.852
21 HG SER 5 HG SER 5 -23.555 6.232 -5.643
22 H SER 6 H SER 6 -21.483 2.731 -5.951
23 HA SER 6 HA SER 6 -21.523 2.534 -3.013
24 HB2 SER 6 1HB SER 6 -22.003 0.332 -4.073
25 HB3 SER 6 2HB SER 6 -20.450 0.426 -4.904
26 HG SER 6 HG SER 6 -19.574 0.683 -2.673
27 H GLY 7 H GLY 7 -20.250 4.481 -3.040
28 HA2 GLY 7 1HA GLY 7 -17.612 4.257 -2.541
29 HA3 GLY 7 2HA GLY 7 -17.640 4.415 -4.291
30 H THR 8 H THR 8 -19.663 5.982 -1.832
31 HA THR 8 HA THR 8 -19.232 8.547 -3.084
32 HB THR 8 HB THR 8 -20.747 9.400 -1.283
33 HG1 THR 8 HG1 THR 8 -21.346 6.744 -0.596
34 HG21 THR 8 3HG2 THR 8 -21.387 7.471 -3.366
35 HG22 THR 8 1HG2 THR 8 -22.189 8.983 -2.945
36 HG23 THR 8 2HG2 THR 8 -22.591 7.500 -2.078
37 H GLY 9 H GLY 9 -17.876 10.114 -2.446
38 HA2 GLY 9 1HA GLY 9 -17.048 11.067 -0.140
39 HA3 GLY 9 2HA GLY 9 -16.151 9.556 -0.148
40 H GLU 10 H GLU 10 -16.043 12.780 -0.954
41 HA GLU 10 HA GLU 10 -14.124 12.430 -3.130
42 HB2 GLU 10 1HB GLU 10 -15.431 14.883 -1.950
43 HB3 GLU 10 2HB GLU 10 -14.194 14.951 -3.198
44 HG2 GLU 10 1HG GLU 10 -16.953 13.788 -3.392
45 HG3 GLU 10 2HG GLU 10 -16.278 15.149 -4.285
46 H LYS 11 H LYS 11 -12.361 11.573 -2.016
47 HA LYS 11 HA LYS 11 -10.977 13.497 -0.268
48 HB2 LYS 11 1HB LYS 11 -11.262 10.516 0.064
49 HB3 LYS 11 2HB LYS 11 -9.970 11.419 0.844
50 HG2 LYS 11 1HG LYS 11 -11.500 11.434 2.519
51 HG3 LYS 11 2HG LYS 11 -11.992 12.904 1.674
52 HD2 LYS 11 1HD LYS 11 -13.568 11.351 0.349
53 HD3 LYS 11 2HD LYS 11 -13.276 10.193 1.649
54 HE2 LYS 11 1HE LYS 11 -15.170 11.277 2.398
55 HE3 LYS 11 2HE LYS 11 -13.892 12.189 3.200
56 HZ1 LYS 11 3HZ LYS 11 -14.028 13.818 1.373
57 HZ2 LYS 11 1HZ LYS 11 -15.468 13.700 2.253
58 HZ3 LYS 11 2HZ LYS 11 -15.344 12.971 0.732
59 HA PRO 12 HA PRO 12 -7.526 13.124 -2.958
60 HB2 PRO 12 1HB PRO 12 -5.473 13.502 -1.222
61 HB3 PRO 12 2HB PRO 12 -6.548 14.807 -1.737
62 HG2 PRO 12 1HG PRO 12 -6.604 13.191 0.782
63 HG3 PRO 12 2HG PRO 12 -6.830 14.936 0.567
64 HD2 PRO 12 1HD PRO 12 -8.905 13.229 0.900
65 HD3 PRO 12 2HD PRO 12 -9.027 14.699 -0.088
66 H TYR 13 H TYR 13 -7.302 11.272 0.063
67 HA TYR 13 HA TYR 13 -6.262 9.003 -1.454
68 HB2 TYR 13 1HB TYR 13 -4.942 9.956 1.093
69 HB3 TYR 13 2HB TYR 13 -4.448 8.595 0.092
70 HD1 TYR 13 HD2 TYR 13 -3.512 9.033 -2.191
71 HD2 TYR 13 HD1 TYR 13 -4.230 12.163 0.601
72 HE1 TYR 13 HE2 TYR 13 -2.023 10.512 -3.474
73 HE2 TYR 13 HE1 TYR 13 -2.744 13.650 -0.675
74 HH TYR 13 HH TYR 13 -1.106 13.676 -2.287
75 H LYS 14 H LYS 14 -7.861 7.592 -1.110
76 HA LYS 14 HA LYS 14 -8.558 6.974 1.678
77 HB2 LYS 14 1HB LYS 14 -10.438 8.207 0.917
78 HB3 LYS 14 2HB LYS 14 -10.439 7.388 -0.639
79 HG2 LYS 14 1HG LYS 14 -11.044 5.284 0.532
80 HG3 LYS 14 2HG LYS 14 -11.180 6.209 2.029
81 HD2 LYS 14 1HD LYS 14 -12.787 7.708 0.616
82 HD3 LYS 14 2HD LYS 14 -12.903 6.278 -0.412
83 HE2 LYS 14 1HE LYS 14 -14.684 6.115 1.128
84 HE3 LYS 14 2HE LYS 14 -13.457 4.979 1.688
85 HZ1 LYS 14 3HZ LYS 14 -12.770 7.202 3.008
86 HZ2 LYS 14 1HZ LYS 14 -13.783 6.003 3.639
87 HZ3 LYS 14 2HZ LYS 14 -14.450 7.391 2.940
88 H CYS 15 H CYS 15 -8.443 4.874 2.173
89 HA CYS 15 HA CYS 15 -7.658 2.997 0.124
90 HB2 CYS 15 1HB CYS 15 -6.669 3.101 2.460
91 HB3 CYS 15 2HB CYS 15 -8.178 2.402 3.037
92 H ASN 16 H ASN 16 -9.801 3.275 -0.980
93 HA ASN 16 HA ASN 16 -12.274 2.654 -0.193
94 HB2 ASN 16 1HB ASN 16 -11.617 3.055 -2.549
95 HB3 ASN 16 2HB ASN 16 -10.979 1.416 -2.633
96 HD21 ASN 16 1HD2 ASN 16 -13.680 3.374 -3.028
97 HD22 ASN 16 2HD2 ASN 16 -14.864 2.133 -3.235
98 H GLU 17 H GLU 17 -9.658 0.324 -0.548
99 HA GLU 17 HA GLU 17 -10.923 -2.080 -0.394
100 HB2 GLU 17 1HB GLU 17 -8.378 -1.133 0.899
101 HB3 GLU 17 2HB GLU 17 -8.926 -2.794 1.072
102 HG2 GLU 17 1HG GLU 17 -7.397 -2.797 -0.708
103 HG3 GLU 17 2HG GLU 17 -8.995 -2.909 -1.444
104 H CYS 18 H CYS 18 -9.915 -0.175 2.450
105 HA CYS 18 HA CYS 18 -11.840 -1.699 4.065
106 HB2 CYS 18 1HB CYS 18 -10.576 -0.757 6.014
107 HB3 CYS 18 2HB CYS 18 -9.616 -1.797 4.967
108 H GLY 19 H GLY 19 -10.779 1.598 3.318
109 HA2 GLY 19 1HA GLY 19 -12.579 3.238 2.953
110 HA3 GLY 19 2HA GLY 19 -13.375 2.552 4.361
111 H LYS 20 H LYS 20 -9.934 3.242 4.101
112 HA LYS 20 HA LYS 20 -10.221 5.124 6.335
113 HB2 LYS 20 1HB LYS 20 -8.062 3.290 5.419
114 HB3 LYS 20 2HB LYS 20 -7.579 4.775 6.226
115 HG2 LYS 20 1HG LYS 20 -8.623 4.172 8.222
116 HG3 LYS 20 2HG LYS 20 -9.611 2.938 7.438
117 HD2 LYS 20 1HD LYS 20 -7.330 1.829 6.882
118 HD3 LYS 20 2HD LYS 20 -6.711 2.856 8.178
119 HE2 LYS 20 1HE LYS 20 -8.111 1.843 9.783
120 HE3 LYS 20 2HE LYS 20 -9.101 1.070 8.546
121 HZ1 LYS 20 3HZ LYS 20 -6.273 0.379 8.569
122 HZ2 LYS 20 1HZ LYS 20 -7.624 -0.596 8.275
123 HZ3 LYS 20 2HZ LYS 20 -7.195 -0.200 9.863
124 H VAL 21 H VAL 21 -8.267 6.787 6.288
125 HA VAL 21 HA VAL 21 -7.810 7.844 3.613
126 HB VAL 21 HB VAL 21 -9.145 9.504 5.756
127 HG11 VAL 21 1HG1 VAL 21 -9.256 10.868 3.355
128 HG12 VAL 21 2HG1 VAL 21 -8.176 11.217 4.707
129 HG13 VAL 21 3HG1 VAL 21 -7.627 10.193 3.379
130 HG21 VAL 21 3HG2 VAL 21 -11.072 9.561 4.313
131 HG22 VAL 21 1HG2 VAL 21 -10.226 8.621 3.083
132 HG23 VAL 21 2HG2 VAL 21 -10.644 7.879 4.628
133 H PHE 22 H PHE 22 -5.973 9.075 3.440
134 HA PHE 22 HA PHE 22 -4.517 9.718 5.904
135 HB2 PHE 22 1HB PHE 22 -3.149 8.474 3.520
136 HB3 PHE 22 2HB PHE 22 -2.484 8.752 5.126
137 HD1 PHE 22 HD1 PHE 22 -4.775 6.674 3.142
138 HD2 PHE 22 HD2 PHE 22 -2.865 7.217 6.907
139 HE1 PHE 22 HE1 PHE 22 -5.434 4.397 3.801
140 HE2 PHE 22 HE2 PHE 22 -3.520 4.941 7.572
141 HZ PHE 22 HZ PHE 22 -4.806 3.527 6.018
142 H THR 23 H THR 23 -3.623 11.685 5.893
143 HA THR 23 HA THR 23 -4.194 13.590 3.969
144 HB THR 23 HB THR 23 -1.809 13.666 5.825
145 HG1 THR 23 HG1 THR 23 -4.557 13.945 6.268
146 HG21 THR 23 3HG2 THR 23 -1.464 15.689 4.959
147 HG22 THR 23 1HG2 THR 23 -3.052 16.181 5.545
148 HG23 THR 23 2HG2 THR 23 -2.878 15.520 3.919
149 H GLN 24 H GLN 24 -1.215 11.705 4.396
150 HA GLN 24 HA GLN 24 -0.105 12.832 1.950
151 HB2 GLN 24 1HB GLN 24 0.988 11.027 4.095
152 HB3 GLN 24 2HB GLN 24 1.844 11.275 2.578
153 HG2 GLN 24 1HG GLN 24 1.026 13.506 4.420
154 HG3 GLN 24 2HG GLN 24 2.600 12.713 4.469
155 HE21 GLN 24 1HE2 GLN 24 0.428 14.609 2.460
156 HE22 GLN 24 2HE2 GLN 24 1.655 15.295 1.456
157 H ASN 25 H ASN 25 0.806 11.389 0.299
158 HA ASN 25 HA ASN 25 -1.124 9.397 -0.459
159 HB2 ASN 25 1HB ASN 25 0.166 9.225 -2.527
160 HB3 ASN 25 2HB ASN 25 -0.122 10.915 -2.125
161 HD21 ASN 25 1HD2 ASN 25 1.934 9.752 -3.804
162 HD22 ASN 25 2HD2 ASN 25 3.448 10.232 -3.123
163 H SER 26 H SER 26 2.319 9.405 0.400
164 HA SER 26 HA SER 26 2.905 6.734 -0.001
165 HB2 SER 26 1HB SER 26 4.555 8.505 0.618
166 HB3 SER 26 2HB SER 26 3.948 8.440 2.273
167 HG SER 26 HG SER 26 5.862 7.113 1.744
168 H HIS 27 H HIS 27 1.389 8.281 2.789
169 HA HIS 27 HA HIS 27 1.375 6.145 4.562
170 HB2 HIS 27 1HB HIS 27 -0.555 8.422 4.153
171 HB3 HIS 27 2HB HIS 27 -0.773 7.239 5.439
172 HD2 HIS 27 HD2 HIS 27 2.710 7.340 5.885
173 HE1 HIS 27 HE1 HIS 27 1.602 11.113 7.476
174 HE2 HIS 27 HE2 HIS 27 3.435 9.398 7.272
175 H LEU 28 H LEU 28 -1.023 6.995 2.082
176 HA LEU 28 HA LEU 28 -2.762 4.830 2.625
177 HB2 LEU 28 1HB LEU 28 -3.657 6.674 1.462
178 HB3 LEU 28 2HB LEU 28 -2.382 6.624 0.247
179 HG LEU 28 HG LEU 28 -3.341 4.496 -0.598
180 HD11 LEU 28 1HD1 LEU 28 -5.679 5.118 1.192
181 HD12 LEU 28 2HD1 LEU 28 -4.462 3.896 1.556
182 HD13 LEU 28 3HD1 LEU 28 -5.476 3.731 0.122
183 HD21 LEU 28 3HD2 LEU 28 -4.080 7.038 -1.150
184 HD22 LEU 28 1HD2 LEU 28 -5.636 6.330 -0.716
185 HD23 LEU 28 2HD2 LEU 28 -4.677 5.621 -2.016
186 H ALA 29 H ALA 29 -0.209 5.295 0.201
187 HA ALA 29 HA ALA 29 -0.491 2.884 -1.162
188 HB1 ALA 29 3HB ALA 29 2.260 3.460 -1.092
189 HB2 ALA 29 1HB ALA 29 1.097 3.871 -2.354
190 HB3 ALA 29 2HB ALA 29 1.420 5.011 -1.046
191 H ASN 30 H ASN 30 1.744 3.636 1.518
192 HA ASN 30 HA ASN 30 2.794 1.067 1.815
193 HB2 ASN 30 1HB ASN 30 3.571 3.281 2.876
194 HB3 ASN 30 2HB ASN 30 2.384 2.945 4.133
195 HD21 ASN 30 1HD2 ASN 30 4.348 2.987 5.470
196 HD22 ASN 30 2HD2 ASN 30 5.247 1.522 5.649
197 H HIS 31 H HIS 31 -0.161 2.496 3.037
198 HA HIS 31 HA HIS 31 -0.775 0.465 4.922
199 HB2 HIS 31 1HB HIS 31 -1.856 2.592 5.144
200 HB3 HIS 31 2HB HIS 31 -2.499 2.502 3.506
201 HD1 HIS 31 HD1 HIS 31 -2.785 0.409 6.682
202 HD2 HIS 31 HD2 HIS 31 -5.091 1.770 3.505
203 HE1 HIS 31 HE1 HIS 31 -5.113 -0.426 7.135
204 H GLN 32 H GLN 32 -1.769 1.022 1.560
205 HA GLN 32 HA GLN 32 -3.576 -1.036 1.247
206 HB2 GLN 32 1HB GLN 32 -1.676 0.328 -0.614
207 HB3 GLN 32 2HB GLN 32 -2.557 -1.084 -1.182
208 HG2 GLN 32 1HG GLN 32 -4.660 0.110 -0.403
209 HG3 GLN 32 2HG GLN 32 -3.654 1.550 -0.264
210 HE21 GLN 32 1HE2 GLN 32 -5.891 1.222 -1.984
211 HE22 GLN 32 2HE2 GLN 32 -5.323 1.359 -3.609
212 H ARG 33 H ARG 33 -0.237 -1.253 1.867
213 HA ARG 33 HA ARG 33 0.557 -3.570 0.595
214 HB2 ARG 33 1HB ARG 33 1.260 -2.603 3.371
215 HB3 ARG 33 2HB ARG 33 2.107 -3.891 2.526
216 HG2 ARG 33 1HG ARG 33 1.833 -1.211 1.244
217 HG3 ARG 33 2HG ARG 33 3.049 -1.473 2.495
218 HD2 ARG 33 1HD ARG 33 2.839 -3.416 0.243
219 HD3 ARG 33 2HD ARG 33 3.615 -1.858 -0.040
220 HE ARG 33 HE ARG 33 4.581 -3.298 2.270
221 HH11 ARG 33 1HH1 ARG 33 4.955 -2.685 -1.137
222 HH12 ARG 33 2HH1 ARG 33 6.614 -3.182 -1.177
223 HH21 ARG 33 1HH2 ARG 33 6.765 -3.956 2.229
224 HH22 ARG 33 2HH2 ARG 33 7.642 -3.905 0.737
225 H ILE 34 H ILE 34 -1.298 -3.212 3.581
226 HA ILE 34 HA ILE 34 -1.354 -5.987 4.205
227 HB ILE 34 HB ILE 34 -3.035 -5.444 5.846
228 HG12 ILE 34 1HG1 ILE 34 -3.145 -2.583 5.000
229 HG13 ILE 34 2HG1 ILE 34 -4.115 -3.751 4.110
230 HG21 ILE 34 1HG2 ILE 34 -0.841 -4.888 6.541
231 HG22 ILE 34 2HG2 ILE 34 -0.842 -3.401 5.593
232 HG23 ILE 34 3HG2 ILE 34 -1.870 -3.537 7.019
233 HD11 ILE 34 3HD1 ILE 34 -5.668 -3.617 5.669
234 HD12 ILE 34 1HD1 ILE 34 -4.525 -4.241 6.858
235 HD13 ILE 34 2HD1 ILE 34 -4.665 -2.502 6.596
236 H HIS 35 H HIS 35 -3.066 -4.039 1.974
237 HA HIS 35 HA HIS 35 -5.290 -5.917 1.761
238 HB2 HIS 35 1HB HIS 35 -4.716 -3.271 0.424
239 HB3 HIS 35 2HB HIS 35 -6.096 -4.281 0.006
240 HD1 HIS 35 HD1 HIS 35 -7.598 -4.915 2.301
241 HD2 HIS 35 HD2 HIS 35 -5.347 -1.422 2.280
242 HE1 HIS 35 HE1 HIS 35 -8.594 -3.462 4.096
243 H THR 36 H THR 36 -2.828 -7.034 1.129
244 HA THR 36 HA THR 36 -3.346 -8.120 -1.428
245 HB THR 36 HB THR 36 -2.423 -5.945 -2.176
246 HG1 THR 36 HG1 THR 36 -0.478 -7.894 -2.785
247 HG21 THR 36 3HG2 THR 36 -0.820 -5.114 -0.819
248 HG22 THR 36 1HG2 THR 36 0.264 -6.062 -1.835
249 HG23 THR 36 2HG2 THR 36 -0.292 -6.712 -0.293
250 H GLY 37 H GLY 37 -1.807 -9.780 -2.035
251 HA2 GLY 37 1HA GLY 37 -0.970 -11.385 0.056
252 HA3 GLY 37 2HA GLY 37 -0.352 -11.500 -1.585
253 H VAL 38 H VAL 38 0.790 -11.561 1.307
254 HA VAL 38 HA VAL 38 3.134 -9.906 0.657
255 HB VAL 38 HB VAL 38 2.024 -10.224 3.447
256 HG11 VAL 38 1HG1 VAL 38 3.819 -8.005 2.946
257 HG12 VAL 38 2HG1 VAL 38 3.895 -9.262 4.182
258 HG13 VAL 38 3HG1 VAL 38 4.571 -9.558 2.579
259 HG21 VAL 38 3HG2 VAL 38 1.558 -8.157 1.355
260 HG22 VAL 38 1HG2 VAL 38 0.451 -8.815 2.560
261 HG23 VAL 38 2HG2 VAL 38 1.680 -7.643 3.037
262 H LYS 39 H LYS 39 2.912 -12.612 0.064
263 HA LYS 39 HA LYS 39 3.919 -14.324 2.066
264 HB2 LYS 39 1HB LYS 39 4.026 -14.497 -0.947
265 HB3 LYS 39 2HB LYS 39 4.566 -15.787 0.118
266 HG2 LYS 39 1HG LYS 39 2.276 -15.852 1.091
267 HG3 LYS 39 2HG LYS 39 1.776 -14.690 -0.139
268 HD2 LYS 39 1HD LYS 39 1.209 -16.642 -1.189
269 HD3 LYS 39 2HD LYS 39 2.869 -16.464 -1.761
270 HE2 LYS 39 1HE LYS 39 2.671 -18.707 -1.064
271 HE3 LYS 39 2HE LYS 39 3.556 -17.886 0.221
272 HZ1 LYS 39 3HZ LYS 39 1.693 -17.894 1.603
273 HZ2 LYS 39 1HZ LYS 39 1.684 -19.433 0.901
274 HZ3 LYS 39 2HZ LYS 39 0.623 -18.241 0.340
275 HA PRO 40 HA PRO 40 8.161 -13.172 2.290
276 HB2 PRO 40 1HB PRO 40 9.200 -15.512 3.196
277 HB3 PRO 40 2HB PRO 40 8.246 -14.426 4.214
278 HG2 PRO 40 1HG PRO 40 7.397 -16.916 2.785
279 HG3 PRO 40 2HG PRO 40 7.003 -16.380 4.428
280 HD2 PRO 40 1HD PRO 40 5.288 -16.095 2.352
281 HD3 PRO 40 2HD PRO 40 5.357 -14.940 3.698
282 H SER 41 H SER 41 8.289 -12.996 -0.086
283 HA SER 41 HA SER 41 9.443 -15.325 -1.431
284 HB2 SER 41 1HB SER 41 8.520 -12.659 -2.531
285 HB3 SER 41 2HB SER 41 9.160 -13.984 -3.502
286 HG SER 41 HG SER 41 7.334 -15.155 -2.208
287 H GLY 42 H GLY 42 10.152 -11.884 -0.860
288 HA2 GLY 42 1HA GLY 42 12.703 -11.876 -2.048
289 HA3 GLY 42 2HA GLY 42 12.134 -10.727 -0.848
290 HA PRO 43 HA PRO 43 15.629 -13.031 1.071
291 HB2 PRO 43 1HB PRO 43 16.673 -10.850 2.306
292 HB3 PRO 43 2HB PRO 43 17.054 -11.282 0.635
293 HG2 PRO 43 1HG PRO 43 15.103 -9.262 1.671
294 HG3 PRO 43 2HG PRO 43 16.245 -9.125 0.321
295 HD2 PRO 43 1HD PRO 43 13.612 -9.642 -0.045
296 HD3 PRO 43 2HD PRO 43 14.869 -10.279 -1.124
297 H SER 44 H SER 44 12.794 -11.680 2.058
298 HA SER 44 HA SER 44 13.279 -11.615 4.900
299 HB2 SER 44 1HB SER 44 10.663 -11.529 3.376
300 HB3 SER 44 2HB SER 44 10.877 -11.158 5.087
301 HG SER 44 HG SER 44 10.913 -9.229 4.019
302 H SER 45 H SER 45 12.761 -13.138 6.399
303 HA SER 45 HA SER 45 11.793 -15.724 5.367
304 HB2 SER 45 1HB SER 45 13.632 -15.286 7.731
305 HB3 SER 45 2HB SER 45 13.158 -16.835 7.034
306 HG SER 45 HG SER 45 15.264 -15.547 6.407
307 H GLY 46 H GLY 46 9.932 -13.862 6.124
308 HA2 GLY 46 1HA GLY 46 8.089 -13.593 7.465
309 HA3 GLY 46 2HA GLY 46 8.370 -15.250 7.977
Start of MODEL 2
1 H1 GLY 1 H GLY 1 -36.680 14.259 -0.663
2 HA2 GLY 1 1HA GLY 1 -34.732 16.459 -0.417
3 HA3 GLY 1 2HA GLY 1 -34.642 14.933 0.449
4 H SER 2 H SER 2 -33.238 13.498 -0.299
5 HA SER 2 HA SER 2 -31.650 12.537 -1.622
6 HB2 SER 2 1HB SER 2 -33.772 13.033 -3.725
7 HB3 SER 2 2HB SER 2 -32.397 11.945 -3.911
8 HG SER 2 HG SER 2 -34.003 10.653 -3.217
9 H SER 3 H SER 3 -31.175 15.227 -1.159
10 HA SER 3 HA SER 3 -30.802 17.043 -3.078
11 HB2 SER 3 1HB SER 3 -29.046 16.178 -0.830
12 HB3 SER 3 2HB SER 3 -28.375 17.309 -2.005
13 HG SER 3 HG SER 3 -30.611 18.368 -1.550
14 H GLY 4 H GLY 4 -28.754 14.170 -2.680
15 HA2 GLY 4 1HA GLY 4 -27.739 12.952 -4.401
16 HA3 GLY 4 2HA GLY 4 -28.126 14.252 -5.518
17 H SER 5 H SER 5 -26.186 13.893 -2.544
18 HA SER 5 HA SER 5 -24.323 15.873 -3.155
19 HB2 SER 5 1HB SER 5 -22.844 14.689 -1.510
20 HB3 SER 5 2HB SER 5 -24.474 14.998 -0.912
21 HG SER 5 HG SER 5 -24.685 12.935 -0.658
22 H SER 6 H SER 6 -23.515 15.819 -5.209
23 HA SER 6 HA SER 6 -22.554 13.479 -6.487
24 HB2 SER 6 1HB SER 6 -22.387 16.416 -7.039
25 HB3 SER 6 2HB SER 6 -21.349 15.316 -7.945
26 HG SER 6 HG SER 6 -23.099 14.366 -8.827
27 H GLY 7 H GLY 7 -20.848 16.230 -4.991
28 HA2 GLY 7 1HA GLY 7 -18.420 14.555 -4.908
29 HA3 GLY 7 2HA GLY 7 -18.424 16.312 -4.915
30 H THR 8 H THR 8 -19.405 17.375 -2.999
31 HA THR 8 HA THR 8 -19.035 17.779 -0.758
32 HB THR 8 HB THR 8 -20.531 15.212 -0.307
33 HG1 THR 8 HG1 THR 8 -21.787 17.634 -1.089
34 HG21 THR 8 3HG2 THR 8 -21.695 16.625 1.376
35 HG22 THR 8 1HG2 THR 8 -20.612 17.952 0.960
36 HG23 THR 8 2HG2 THR 8 -19.963 16.473 1.671
37 H GLY 9 H GLY 9 -16.759 16.608 -1.722
38 HA2 GLY 9 1HA GLY 9 -15.483 15.674 0.559
39 HA3 GLY 9 2HA GLY 9 -15.991 14.251 -0.338
40 H GLU 10 H GLU 10 -15.051 13.798 -2.349
41 HA GLU 10 HA GLU 10 -13.332 13.651 -3.832
42 HB2 GLU 10 1HB GLU 10 -13.670 16.586 -3.445
43 HB3 GLU 10 2HB GLU 10 -12.237 16.031 -4.299
44 HG2 GLU 10 1HG GLU 10 -13.454 15.170 -6.060
45 HG3 GLU 10 2HG GLU 10 -14.932 15.039 -5.109
46 H LYS 11 H LYS 11 -12.653 12.925 -1.295
47 HA LYS 11 HA LYS 11 -10.480 14.192 -0.108
48 HB2 LYS 11 1HB LYS 11 -11.542 11.411 -0.119
49 HB3 LYS 11 2HB LYS 11 -9.918 11.658 0.509
50 HG2 LYS 11 1HG LYS 11 -10.723 13.169 2.179
51 HG3 LYS 11 2HG LYS 11 -12.342 13.158 1.475
52 HD2 LYS 11 1HD LYS 11 -11.019 10.654 2.485
53 HD3 LYS 11 2HD LYS 11 -11.958 11.711 3.542
54 HE2 LYS 11 1HE LYS 11 -13.859 11.471 1.915
55 HE3 LYS 11 2HE LYS 11 -12.910 10.231 1.096
56 HZ1 LYS 11 3HZ LYS 11 -14.205 10.145 3.725
57 HZ2 LYS 11 1HZ LYS 11 -12.793 9.242 3.495
58 HZ3 LYS 11 2HZ LYS 11 -14.143 8.963 2.515
59 HA PRO 12 HA PRO 12 -7.085 13.588 -2.833
60 HB2 PRO 12 1HB PRO 12 -5.041 13.531 -1.047
61 HB3 PRO 12 2HB PRO 12 -5.910 15.012 -1.466
62 HG2 PRO 12 1HG PRO 12 -6.251 13.223 0.910
63 HG3 PRO 12 2HG PRO 12 -6.225 14.995 0.838
64 HD2 PRO 12 1HD PRO 12 -8.526 13.578 1.004
65 HD3 PRO 12 2HD PRO 12 -8.417 15.125 0.139
66 H TYR 13 H TYR 13 -6.822 11.590 0.116
67 HA TYR 13 HA TYR 13 -6.318 9.254 -1.579
68 HB2 TYR 13 1HB TYR 13 -4.637 9.871 0.854
69 HB3 TYR 13 2HB TYR 13 -4.419 8.548 -0.286
70 HD1 TYR 13 HD2 TYR 13 -3.924 9.222 -2.746
71 HD2 TYR 13 HD1 TYR 13 -3.445 11.846 0.568
72 HE1 TYR 13 HE2 TYR 13 -2.395 10.615 -4.078
73 HE2 TYR 13 HE1 TYR 13 -1.916 13.247 -0.754
74 HH TYR 13 HH TYR 13 -1.719 13.392 -3.792
75 H LYS 14 H LYS 14 -7.634 7.660 -1.026
76 HA LYS 14 HA LYS 14 -8.250 7.153 1.769
77 HB2 LYS 14 1HB LYS 14 -10.033 8.665 1.201
78 HB3 LYS 14 2HB LYS 14 -10.363 7.796 -0.291
79 HG2 LYS 14 1HG LYS 14 -10.814 5.790 1.319
80 HG3 LYS 14 2HG LYS 14 -11.038 7.067 2.517
81 HD2 LYS 14 1HD LYS 14 -12.801 8.051 1.256
82 HD3 LYS 14 2HD LYS 14 -12.460 7.023 -0.139
83 HE2 LYS 14 1HE LYS 14 -13.226 5.081 1.013
84 HE3 LYS 14 2HE LYS 14 -13.327 5.955 2.541
85 HZ1 LYS 14 3HZ LYS 14 -14.943 7.420 1.013
86 HZ2 LYS 14 1HZ LYS 14 -15.477 6.127 1.964
87 HZ3 LYS 14 2HZ LYS 14 -15.184 5.899 0.314
88 H CYS 15 H CYS 15 -7.890 5.062 2.051
89 HA CYS 15 HA CYS 15 -7.592 3.205 -0.035
90 HB2 CYS 15 1HB CYS 15 -6.585 3.010 2.249
91 HB3 CYS 15 2HB CYS 15 -8.179 2.591 2.867
92 H ASN 16 H ASN 16 -8.982 1.925 -1.085
93 HA ASN 16 HA ASN 16 -11.813 2.161 -0.448
94 HB2 ASN 16 1HB ASN 16 -10.984 2.459 -2.788
95 HB3 ASN 16 2HB ASN 16 -10.508 0.763 -2.791
96 HD21 ASN 16 1HD2 ASN 16 -11.951 0.651 -4.637
97 HD22 ASN 16 2HD2 ASN 16 -13.642 0.421 -4.369
98 H GLU 17 H GLU 17 -9.242 -0.199 -0.420
99 HA GLU 17 HA GLU 17 -10.591 -2.588 -0.341
100 HB2 GLU 17 1HB GLU 17 -8.142 -1.674 1.156
101 HB3 GLU 17 2HB GLU 17 -8.736 -3.326 1.260
102 HG2 GLU 17 1HG GLU 17 -7.127 -3.460 -0.385
103 HG3 GLU 17 2HG GLU 17 -8.618 -3.300 -1.311
104 H CYS 18 H CYS 18 -9.758 -0.600 2.502
105 HA CYS 18 HA CYS 18 -11.867 -1.999 4.000
106 HB2 CYS 18 1HB CYS 18 -10.712 -1.148 6.028
107 HB3 CYS 18 2HB CYS 18 -9.685 -2.180 5.038
108 H GLY 19 H GLY 19 -10.531 1.226 3.351
109 HA2 GLY 19 1HA GLY 19 -12.227 2.946 2.789
110 HA3 GLY 19 2HA GLY 19 -13.141 2.349 4.165
111 H LYS 20 H LYS 20 -9.657 2.879 4.043
112 HA LYS 20 HA LYS 20 -9.889 4.653 6.344
113 HB2 LYS 20 1HB LYS 20 -7.669 3.107 5.073
114 HB3 LYS 20 2HB LYS 20 -7.267 4.502 6.065
115 HG2 LYS 20 1HG LYS 20 -8.831 3.363 7.809
116 HG3 LYS 20 2HG LYS 20 -8.516 1.913 6.853
117 HD2 LYS 20 1HD LYS 20 -6.063 2.406 7.109
118 HD3 LYS 20 2HD LYS 20 -6.509 3.665 8.262
119 HE2 LYS 20 1HE LYS 20 -7.240 0.750 8.515
120 HE3 LYS 20 2HE LYS 20 -5.889 1.524 9.341
121 HZ1 LYS 20 3HZ LYS 20 -8.646 1.503 10.037
122 HZ2 LYS 20 1HZ LYS 20 -8.075 3.089 9.902
123 HZ3 LYS 20 2HZ LYS 20 -7.315 2.003 10.953
124 H VAL 21 H VAL 21 -8.183 6.502 6.342
125 HA VAL 21 HA VAL 21 -8.039 7.813 3.725
126 HB VAL 21 HB VAL 21 -9.130 9.148 6.207
127 HG11 VAL 21 1HG1 VAL 21 -7.756 10.258 4.024
128 HG12 VAL 21 2HG1 VAL 21 -9.461 10.644 3.784
129 HG13 VAL 21 3HG1 VAL 21 -8.653 11.109 5.281
130 HG21 VAL 21 3HG2 VAL 21 -10.497 7.521 4.519
131 HG22 VAL 21 1HG2 VAL 21 -11.216 8.856 5.420
132 HG23 VAL 21 2HG2 VAL 21 -10.726 9.087 3.741
133 H PHE 22 H PHE 22 -6.250 9.057 3.419
134 HA PHE 22 HA PHE 22 -4.537 9.656 5.713
135 HB2 PHE 22 1HB PHE 22 -3.402 8.401 3.216
136 HB3 PHE 22 2HB PHE 22 -2.586 8.690 4.749
137 HD1 PHE 22 HD1 PHE 22 -4.936 6.546 2.946
138 HD2 PHE 22 HD2 PHE 22 -2.906 7.213 6.627
139 HE1 PHE 22 HE1 PHE 22 -5.522 4.271 3.677
140 HE2 PHE 22 HE2 PHE 22 -3.488 4.939 7.364
141 HZ PHE 22 HZ PHE 22 -4.797 3.465 5.888
142 H THR 23 H THR 23 -3.207 11.442 5.450
143 HA THR 23 HA THR 23 -4.064 13.318 3.444
144 HB THR 23 HB THR 23 -2.574 14.911 4.548
145 HG1 THR 23 HG1 THR 23 -0.864 14.071 5.465
146 HG21 THR 23 3HG2 THR 23 -4.859 14.173 5.515
147 HG22 THR 23 1HG2 THR 23 -3.780 15.130 6.529
148 HG23 THR 23 2HG2 THR 23 -3.896 13.386 6.765
149 H GLN 24 H GLN 24 -1.139 11.470 4.142
150 HA GLN 24 HA GLN 24 0.157 12.572 1.762
151 HB2 GLN 24 1HB GLN 24 1.393 12.410 3.943
152 HB3 GLN 24 2HB GLN 24 1.305 10.659 3.798
153 HG2 GLN 24 1HG GLN 24 3.459 11.444 3.063
154 HG3 GLN 24 2HG GLN 24 2.562 10.777 1.700
155 HE21 GLN 24 1HE2 GLN 24 3.699 11.912 0.164
156 HE22 GLN 24 2HE2 GLN 24 3.552 13.621 -0.041
157 H ASN 25 H ASN 25 0.320 11.480 -0.091
158 HA ASN 25 HA ASN 25 -1.159 9.259 -0.719
159 HB2 ASN 25 1HB ASN 25 0.020 9.158 -2.770
160 HB3 ASN 25 2HB ASN 25 0.061 10.854 -2.296
161 HD21 ASN 25 1HD2 ASN 25 1.990 11.781 -1.671
162 HD22 ASN 25 2HD2 ASN 25 3.517 11.017 -1.934
163 H SER 26 H SER 26 2.170 9.382 0.452
164 HA SER 26 HA SER 26 2.860 6.705 0.103
165 HB2 SER 26 1HB SER 26 4.562 7.082 1.819
166 HB3 SER 26 2HB SER 26 4.466 8.475 0.741
167 HG SER 26 HG SER 26 3.178 8.282 3.264
168 H HIS 27 H HIS 27 1.271 8.302 2.841
169 HA HIS 27 HA HIS 27 1.158 6.192 4.622
170 HB2 HIS 27 1HB HIS 27 -0.662 8.522 4.110
171 HB3 HIS 27 2HB HIS 27 -1.091 7.313 5.317
172 HD2 HIS 27 HD2 HIS 27 2.616 7.695 5.543
173 HE1 HIS 27 HE1 HIS 27 1.032 10.593 8.207
174 HE2 HIS 27 HE2 HIS 27 3.111 9.413 7.413
175 H LEU 28 H LEU 28 -1.023 6.944 1.938
176 HA LEU 28 HA LEU 28 -2.814 4.788 2.478
177 HB2 LEU 28 1HB LEU 28 -3.636 6.678 1.281
178 HB3 LEU 28 2HB LEU 28 -2.374 6.526 0.061
179 HG LEU 28 HG LEU 28 -3.404 4.510 -0.801
180 HD11 LEU 28 1HD1 LEU 28 -5.297 3.488 0.097
181 HD12 LEU 28 2HD1 LEU 28 -5.688 4.881 1.105
182 HD13 LEU 28 3HD1 LEU 28 -4.307 3.861 1.509
183 HD21 LEU 28 3HD2 LEU 28 -5.526 5.480 -1.612
184 HD22 LEU 28 1HD2 LEU 28 -4.171 6.603 -1.728
185 HD23 LEU 28 2HD2 LEU 28 -5.355 6.781 -0.433
186 H ALA 29 H ALA 29 -0.147 5.277 0.193
187 HA ALA 29 HA ALA 29 -0.359 2.879 -1.212
188 HB1 ALA 29 3HB ALA 29 1.374 5.042 -1.202
189 HB2 ALA 29 1HB ALA 29 2.399 3.661 -0.806
190 HB3 ALA 29 2HB ALA 29 1.434 3.649 -2.283
191 H ASN 30 H ASN 30 1.816 3.603 1.527
192 HA ASN 30 HA ASN 30 2.796 1.013 1.863
193 HB2 ASN 30 1HB ASN 30 4.013 2.618 3.017
194 HB3 ASN 30 2HB ASN 30 2.570 3.403 3.653
195 HD21 ASN 30 1HD2 ASN 30 1.728 2.745 5.564
196 HD22 ASN 30 2HD2 ASN 30 2.446 1.536 6.568
197 H HIS 31 H HIS 31 -0.069 2.573 3.204
198 HA HIS 31 HA HIS 31 -0.791 0.578 5.038
199 HB2 HIS 31 1HB HIS 31 -1.947 2.585 5.305
200 HB3 HIS 31 2HB HIS 31 -2.308 2.721 3.586
201 HD1 HIS 31 HD1 HIS 31 -3.408 0.849 6.672
202 HD2 HIS 31 HD2 HIS 31 -4.707 1.626 2.802
203 HE1 HIS 31 HE1 HIS 31 -5.769 -0.013 6.569
204 H GLN 32 H GLN 32 -1.982 1.120 1.719
205 HA GLN 32 HA GLN 32 -3.711 -0.936 1.403
206 HB2 GLN 32 1HB GLN 32 -1.663 0.158 -0.511
207 HB3 GLN 32 2HB GLN 32 -2.799 -1.093 -0.996
208 HG2 GLN 32 1HG GLN 32 -4.642 0.454 -0.258
209 HG3 GLN 32 2HG GLN 32 -3.411 1.706 -0.099
210 HE21 GLN 32 1HE2 GLN 32 -5.674 0.426 -2.109
211 HE22 GLN 32 2HE2 GLN 32 -5.075 1.000 -3.624
212 H ARG 33 H ARG 33 -0.306 -1.192 1.893
213 HA ARG 33 HA ARG 33 0.353 -3.621 0.797
214 HB2 ARG 33 1HB ARG 33 1.195 -2.494 3.473
215 HB3 ARG 33 2HB ARG 33 1.973 -3.857 2.679
216 HG2 ARG 33 1HG ARG 33 1.737 -1.151 1.398
217 HG3 ARG 33 2HG ARG 33 3.098 -1.617 2.420
218 HD2 ARG 33 1HD ARG 33 2.217 -2.981 -0.121
219 HD3 ARG 33 2HD ARG 33 3.634 -1.950 0.072
220 HE ARG 33 HE ARG 33 4.026 -3.897 1.910
221 HH11 ARG 33 1HH1 ARG 33 3.309 -3.923 -1.497
222 HH12 ARG 33 2HH1 ARG 33 4.146 -5.411 -1.794
223 HH21 ARG 33 1HH2 ARG 33 5.131 -5.856 1.531
224 HH22 ARG 33 2HH2 ARG 33 5.181 -6.510 -0.072
225 H ILE 34 H ILE 34 -1.333 -3.005 3.847
226 HA ILE 34 HA ILE 34 -1.409 -5.587 4.862
227 HB ILE 34 HB ILE 34 -3.316 -4.925 6.168
228 HG12 ILE 34 1HG1 ILE 34 -3.564 -2.380 4.586
229 HG13 ILE 34 2HG1 ILE 34 -4.436 -3.830 4.102
230 HG21 ILE 34 1HG2 ILE 34 -2.500 -2.723 7.052
231 HG22 ILE 34 2HG2 ILE 34 -1.271 -3.980 6.929
232 HG23 ILE 34 3HG2 ILE 34 -1.343 -2.696 5.722
233 HD11 ILE 34 3HD1 ILE 34 -5.435 -3.885 6.391
234 HD12 ILE 34 1HD1 ILE 34 -4.701 -2.307 6.677
235 HD13 ILE 34 2HD1 ILE 34 -5.905 -2.502 5.403
236 H HIS 35 H HIS 35 -3.163 -4.183 2.220
237 HA HIS 35 HA HIS 35 -5.028 -6.423 2.093
238 HB2 HIS 35 1HB HIS 35 -4.794 -4.013 0.279
239 HB3 HIS 35 2HB HIS 35 -6.109 -5.184 0.292
240 HD1 HIS 35 HD1 HIS 35 -7.143 -5.338 2.977
241 HD2 HIS 35 HD2 HIS 35 -5.560 -1.771 1.551
242 HE1 HIS 35 HE1 HIS 35 -8.121 -3.538 4.435
243 H THR 36 H THR 36 -2.497 -7.325 1.776
244 HA THR 36 HA THR 36 -2.334 -7.883 -1.115
245 HB THR 36 HB THR 36 0.085 -8.167 -0.885
246 HG1 THR 36 HG1 THR 36 0.488 -8.699 1.185
247 HG21 THR 36 3HG2 THR 36 -1.176 -5.576 -0.094
248 HG22 THR 36 1HG2 THR 36 -0.356 -6.012 -1.592
249 HG23 THR 36 2HG2 THR 36 0.582 -5.711 -0.129
250 H GLY 37 H GLY 37 -3.743 -9.701 -0.727
251 HA2 GLY 37 1HA GLY 37 -3.500 -12.095 -0.892
252 HA3 GLY 37 2HA GLY 37 -2.251 -12.007 0.341
253 H VAL 38 H VAL 38 -5.652 -12.154 -0.295
254 HA VAL 38 HA VAL 38 -6.146 -12.433 2.599
255 HB VAL 38 HB VAL 38 -7.226 -10.417 1.679
256 HG11 VAL 38 1HG1 VAL 38 -8.636 -10.394 -0.115
257 HG12 VAL 38 2HG1 VAL 38 -7.573 -11.717 -0.600
258 HG13 VAL 38 3HG1 VAL 38 -9.145 -12.066 0.122
259 HG21 VAL 38 3HG2 VAL 38 -8.724 -12.676 2.854
260 HG22 VAL 38 1HG2 VAL 38 -8.476 -11.038 3.460
261 HG23 VAL 38 2HG2 VAL 38 -9.687 -11.344 2.215
262 H LYS 39 H LYS 39 -7.395 -14.133 3.289
263 HA LYS 39 HA LYS 39 -7.995 -16.174 1.255
264 HB2 LYS 39 1HB LYS 39 -6.333 -16.587 3.214
265 HB3 LYS 39 2HB LYS 39 -7.784 -16.741 4.195
266 HG2 LYS 39 1HG LYS 39 -7.401 -18.923 3.627
267 HG3 LYS 39 2HG LYS 39 -8.508 -18.433 2.342
268 HD2 LYS 39 1HD LYS 39 -6.840 -19.505 1.154
269 HD3 LYS 39 2HD LYS 39 -6.324 -17.819 1.065
270 HE2 LYS 39 1HE LYS 39 -4.963 -18.350 3.185
271 HE3 LYS 39 2HE LYS 39 -5.231 -20.040 2.759
272 HZ1 LYS 39 3HZ LYS 39 -4.390 -18.821 0.441
273 HZ2 LYS 39 1HZ LYS 39 -3.486 -19.857 1.427
274 HZ3 LYS 39 2HZ LYS 39 -3.392 -18.183 1.649
275 HA PRO 40 HA PRO 40 -12.136 -14.739 2.689
276 HB2 PRO 40 1HB PRO 40 -13.305 -14.996 0.252
277 HB3 PRO 40 2HB PRO 40 -12.420 -13.547 0.745
278 HG2 PRO 40 1HG PRO 40 -11.507 -15.840 -0.949
279 HG3 PRO 40 2HG PRO 40 -11.247 -14.102 -1.185
280 HD2 PRO 40 1HD PRO 40 -9.349 -15.731 -0.148
281 HD3 PRO 40 2HD PRO 40 -9.510 -14.029 0.329
282 H SER 41 H SER 41 -14.007 -15.951 3.035
283 HA SER 41 HA SER 41 -13.871 -18.583 3.581
284 HB2 SER 41 1HB SER 41 -16.265 -18.676 3.563
285 HB3 SER 41 2HB SER 41 -15.819 -17.037 4.038
286 HG SER 41 HG SER 41 -16.311 -16.329 1.982
287 H GLY 42 H GLY 42 -14.073 -20.531 2.563
288 HA2 GLY 42 1HA GLY 42 -14.766 -20.610 -0.270
289 HA3 GLY 42 2HA GLY 42 -13.129 -21.096 0.147
290 HA PRO 43 HA PRO 43 -14.431 -25.172 1.074
291 HB2 PRO 43 1HB PRO 43 -13.072 -25.783 3.343
292 HB3 PRO 43 2HB PRO 43 -12.288 -25.631 1.766
293 HG2 PRO 43 1HG PRO 43 -12.446 -23.647 4.003
294 HG3 PRO 43 2HG PRO 43 -11.061 -24.073 2.981
295 HD2 PRO 43 1HD PRO 43 -12.550 -21.850 2.564
296 HD3 PRO 43 2HD PRO 43 -11.777 -22.743 1.239
297 H SER 44 H SER 44 -16.580 -25.211 1.569
298 HA SER 44 HA SER 44 -17.942 -24.079 3.637
299 HB2 SER 44 1HB SER 44 -18.876 -25.456 1.706
300 HB3 SER 44 2HB SER 44 -18.552 -26.881 2.692
301 HG SER 44 HG SER 44 -20.478 -26.453 3.441
302 H SER 45 H SER 45 -17.967 -24.263 5.776
303 HA SER 45 HA SER 45 -17.443 -26.771 7.096
304 HB2 SER 45 1HB SER 45 -15.488 -26.158 8.290
305 HB3 SER 45 2HB SER 45 -15.162 -25.720 6.613
306 HG SER 45 HG SER 45 -15.093 -24.155 8.737
307 H GLY 46 H GLY 46 -17.914 -26.710 9.371
308 HA2 GLY 46 1HA GLY 46 -20.171 -25.270 10.063
309 HA3 GLY 46 2HA GLY 46 -19.081 -26.015 11.223
Start of MODEL 3
1 H1 GLY 1 H GLY 1 -35.173 11.217 -5.759
2 HA2 GLY 1 1HA GLY 1 -32.985 9.356 -5.077
3 HA3 GLY 1 2HA GLY 1 -32.698 11.085 -5.207
4 H SER 2 H SER 2 -32.634 8.987 -2.958
5 HA SER 2 HA SER 2 -34.599 9.981 -1.091
6 HB2 SER 2 1HB SER 2 -33.614 7.585 -1.216
7 HB3 SER 2 2HB SER 2 -32.243 8.267 -0.341
8 HG SER 2 HG SER 2 -33.416 7.980 1.370
9 H SER 3 H SER 3 -34.151 11.104 0.838
10 HA SER 3 HA SER 3 -31.630 12.630 0.779
11 HB2 SER 3 1HB SER 3 -32.829 14.497 1.782
12 HB3 SER 3 2HB SER 3 -33.656 13.991 0.309
13 HG SER 3 HG SER 3 -35.303 14.025 1.657
14 H GLY 4 H GLY 4 -30.337 11.658 2.231
15 HA2 GLY 4 1HA GLY 4 -31.366 11.430 4.983
16 HA3 GLY 4 2HA GLY 4 -30.490 10.089 4.258
17 H SER 5 H SER 5 -28.583 9.980 5.248
18 HA SER 5 HA SER 5 -27.120 12.479 5.761
19 HB2 SER 5 1HB SER 5 -27.659 10.768 7.635
20 HB3 SER 5 2HB SER 5 -26.370 9.803 6.914
21 HG SER 5 HG SER 5 -25.825 12.487 7.412
22 H SER 6 H SER 6 -26.423 12.633 3.557
23 HA SER 6 HA SER 6 -24.420 10.627 2.768
24 HB2 SER 6 1HB SER 6 -26.268 12.392 1.233
25 HB3 SER 6 2HB SER 6 -24.707 12.011 0.509
26 HG SER 6 HG SER 6 -26.800 10.531 0.395
27 H GLY 7 H GLY 7 -22.339 11.219 2.286
28 HA2 GLY 7 1HA GLY 7 -21.652 14.054 2.760
29 HA3 GLY 7 2HA GLY 7 -20.691 12.734 3.411
30 H THR 8 H THR 8 -21.917 13.984 0.313
31 HA THR 8 HA THR 8 -19.904 12.653 -1.219
32 HB THR 8 HB THR 8 -21.660 14.970 -2.051
33 HG1 THR 8 HG1 THR 8 -23.170 13.494 -1.830
34 HG21 THR 8 3HG2 THR 8 -20.989 13.090 -4.119
35 HG22 THR 8 1HG2 THR 8 -19.520 13.713 -3.368
36 HG23 THR 8 2HG2 THR 8 -20.700 14.828 -4.058
37 H GLY 9 H GLY 9 -18.009 13.426 -2.049
38 HA2 GLY 9 1HA GLY 9 -17.120 15.969 -2.409
39 HA3 GLY 9 2HA GLY 9 -16.837 15.686 -0.698
40 H GLU 10 H GLU 10 -15.459 15.542 -3.691
41 HA GLU 10 HA GLU 10 -14.017 13.241 -3.906
42 HB2 GLU 10 1HB GLU 10 -13.276 16.091 -4.495
43 HB3 GLU 10 2HB GLU 10 -12.131 14.789 -4.785
44 HG2 GLU 10 1HG GLU 10 -14.898 14.697 -5.920
45 HG3 GLU 10 2HG GLU 10 -13.605 15.584 -6.724
46 H LYS 11 H LYS 11 -11.910 12.578 -3.251
47 HA LYS 11 HA LYS 11 -10.889 13.869 -0.816
48 HB2 LYS 11 1HB LYS 11 -11.534 10.955 -1.219
49 HB3 LYS 11 2HB LYS 11 -10.391 11.490 0.006
50 HG2 LYS 11 1HG LYS 11 -13.108 12.709 -0.077
51 HG3 LYS 11 2HG LYS 11 -12.900 11.094 0.605
52 HD2 LYS 11 1HD LYS 11 -11.104 13.321 1.476
53 HD3 LYS 11 2HD LYS 11 -12.733 13.193 2.146
54 HE2 LYS 11 1HE LYS 11 -10.996 10.771 2.097
55 HE3 LYS 11 2HE LYS 11 -10.686 12.016 3.307
56 HZ1 LYS 11 3HZ LYS 11 -12.704 10.040 3.277
57 HZ2 LYS 11 1HZ LYS 11 -13.420 11.573 3.308
58 HZ3 LYS 11 2HZ LYS 11 -12.308 11.135 4.505
59 HA PRO 12 HA PRO 12 -6.949 13.550 -2.737
60 HB2 PRO 12 1HB PRO 12 -5.350 13.476 -0.544
61 HB3 PRO 12 2HB PRO 12 -6.179 14.943 -1.079
62 HG2 PRO 12 1HG PRO 12 -6.945 13.014 1.078
63 HG3 PRO 12 2HG PRO 12 -6.994 14.786 1.093
64 HD2 PRO 12 1HD PRO 12 -9.200 13.272 0.677
65 HD3 PRO 12 2HD PRO 12 -8.982 14.867 -0.071
66 H TYR 13 H TYR 13 -7.240 11.406 0.104
67 HA TYR 13 HA TYR 13 -6.401 9.146 -1.527
68 HB2 TYR 13 1HB TYR 13 -4.954 9.771 1.049
69 HB3 TYR 13 2HB TYR 13 -4.584 8.496 -0.107
70 HD1 TYR 13 HD2 TYR 13 -3.744 9.164 -2.405
71 HD2 TYR 13 HD1 TYR 13 -3.999 11.909 0.835
72 HE1 TYR 13 HE2 TYR 13 -2.170 10.661 -3.558
73 HE2 TYR 13 HE1 TYR 13 -2.426 13.415 -0.309
74 HH TYR 13 HH TYR 13 -1.294 12.747 -3.580
75 H LYS 14 H LYS 14 -7.543 7.392 -1.031
76 HA LYS 14 HA LYS 14 -8.449 6.909 1.680
77 HB2 LYS 14 1HB LYS 14 -10.271 8.267 0.923
78 HB3 LYS 14 2HB LYS 14 -10.362 7.399 -0.603
79 HG2 LYS 14 1HG LYS 14 -11.064 5.379 0.616
80 HG3 LYS 14 2HG LYS 14 -11.038 6.304 2.119
81 HD2 LYS 14 1HD LYS 14 -12.708 7.855 1.129
82 HD3 LYS 14 2HD LYS 14 -12.792 6.803 -0.286
83 HE2 LYS 14 1HE LYS 14 -14.589 6.092 0.998
84 HE3 LYS 14 2HE LYS 14 -13.324 4.938 1.418
85 HZ1 LYS 14 3HZ LYS 14 -12.990 6.953 3.214
86 HZ2 LYS 14 1HZ LYS 14 -13.770 5.482 3.514
87 HZ3 LYS 14 2HZ LYS 14 -14.672 6.843 3.076
88 H CYS 15 H CYS 15 -8.179 4.823 2.093
89 HA CYS 15 HA CYS 15 -7.577 2.966 -0.002
90 HB2 CYS 15 1HB CYS 15 -6.532 2.955 2.293
91 HB3 CYS 15 2HB CYS 15 -8.063 2.351 2.917
92 H ASN 16 H ASN 16 -9.726 3.340 -1.067
93 HA ASN 16 HA ASN 16 -12.204 2.755 -0.241
94 HB2 ASN 16 1HB ASN 16 -12.513 1.560 -2.518
95 HB3 ASN 16 2HB ASN 16 -12.005 3.246 -2.521
96 HD21 ASN 16 1HD2 ASN 16 -10.878 -0.066 -2.820
97 HD22 ASN 16 2HD2 ASN 16 -9.470 0.302 -3.752
98 H GLU 17 H GLU 17 -9.650 0.391 -0.762
99 HA GLU 17 HA GLU 17 -10.961 -1.992 -0.713
100 HB2 GLU 17 1HB GLU 17 -8.384 -1.165 0.602
101 HB3 GLU 17 2HB GLU 17 -8.963 -2.823 0.684
102 HG2 GLU 17 1HG GLU 17 -9.081 -2.734 -1.857
103 HG3 GLU 17 2HG GLU 17 -8.129 -1.257 -1.731
104 H CYS 18 H CYS 18 -9.924 -0.210 2.197
105 HA CYS 18 HA CYS 18 -11.839 -1.797 3.764
106 HB2 CYS 18 1HB CYS 18 -10.553 -1.051 5.740
107 HB3 CYS 18 2HB CYS 18 -9.550 -1.920 4.582
108 H GLY 19 H GLY 19 -10.714 1.526 3.224
109 HA2 GLY 19 1HA GLY 19 -12.524 3.192 2.927
110 HA3 GLY 19 2HA GLY 19 -13.292 2.460 4.328
111 H LYS 20 H LYS 20 -9.852 3.135 3.996
112 HA LYS 20 HA LYS 20 -10.063 4.934 6.308
113 HB2 LYS 20 1HB LYS 20 -7.892 3.170 5.242
114 HB3 LYS 20 2HB LYS 20 -7.461 4.566 6.222
115 HG2 LYS 20 1HG LYS 20 -8.569 3.727 8.106
116 HG3 LYS 20 2HG LYS 20 -9.465 2.540 7.156
117 HD2 LYS 20 1HD LYS 20 -7.664 1.119 6.984
118 HD3 LYS 20 2HD LYS 20 -6.485 2.418 7.181
119 HE2 LYS 20 1HE LYS 20 -6.406 1.139 9.170
120 HE3 LYS 20 2HE LYS 20 -7.285 2.616 9.566
121 HZ1 LYS 20 3HZ LYS 20 -9.177 1.491 9.938
122 HZ2 LYS 20 1HZ LYS 20 -8.147 0.169 10.170
123 HZ3 LYS 20 2HZ LYS 20 -8.918 0.389 8.681
124 H VAL 21 H VAL 21 -8.204 6.635 6.307
125 HA VAL 21 HA VAL 21 -7.815 7.780 3.638
126 HB VAL 21 HB VAL 21 -8.975 9.297 5.978
127 HG11 VAL 21 1HG1 VAL 21 -7.249 10.535 4.621
128 HG12 VAL 21 2HG1 VAL 21 -8.341 10.382 3.243
129 HG13 VAL 21 3HG1 VAL 21 -8.849 11.275 4.677
130 HG21 VAL 21 3HG2 VAL 21 -10.087 8.217 3.439
131 HG22 VAL 21 1HG2 VAL 21 -10.814 8.310 5.044
132 HG23 VAL 21 2HG2 VAL 21 -10.707 9.755 4.039
133 H PHE 22 H PHE 22 -5.997 9.082 3.423
134 HA PHE 22 HA PHE 22 -4.326 9.522 5.777
135 HB2 PHE 22 1HB PHE 22 -3.124 8.296 3.303
136 HB3 PHE 22 2HB PHE 22 -2.413 8.444 4.907
137 HD1 PHE 22 HD1 PHE 22 -4.885 6.628 2.877
138 HD2 PHE 22 HD2 PHE 22 -2.824 6.824 6.596
139 HE1 PHE 22 HE1 PHE 22 -5.665 4.360 3.424
140 HE2 PHE 22 HE2 PHE 22 -3.600 4.556 7.149
141 HZ PHE 22 HZ PHE 22 -5.021 3.320 5.562
142 H THR 23 H THR 23 -3.623 11.544 5.766
143 HA THR 23 HA THR 23 -4.101 13.384 3.746
144 HB THR 23 HB THR 23 -1.891 13.588 5.798
145 HG1 THR 23 HG1 THR 23 -4.464 14.675 6.159
146 HG21 THR 23 3HG2 THR 23 -3.354 16.003 5.154
147 HG22 THR 23 1HG2 THR 23 -2.604 15.300 3.722
148 HG23 THR 23 2HG2 THR 23 -1.617 15.701 5.127
149 H GLN 24 H GLN 24 -1.165 11.530 4.441
150 HA GLN 24 HA GLN 24 0.144 12.657 2.088
151 HB2 GLN 24 1HB GLN 24 1.201 12.158 4.462
152 HB3 GLN 24 2HB GLN 24 1.413 10.551 3.780
153 HG2 GLN 24 1HG GLN 24 2.618 11.584 1.871
154 HG3 GLN 24 2HG GLN 24 2.512 13.135 2.703
155 HE21 GLN 24 1HE2 GLN 24 3.367 13.098 4.985
156 HE22 GLN 24 2HE2 GLN 24 4.836 12.229 5.250
157 H ASN 25 H ASN 25 0.469 11.579 0.226
158 HA ASN 25 HA ASN 25 -1.098 9.415 -0.501
159 HB2 ASN 25 1HB ASN 25 0.663 9.166 -2.391
160 HB3 ASN 25 2HB ASN 25 -0.255 10.665 -2.286
161 HD21 ASN 25 1HD2 ASN 25 2.829 9.145 -1.691
162 HD22 ASN 25 2HD2 ASN 25 3.751 10.603 -1.600
163 H SER 26 H SER 26 2.340 9.430 0.412
164 HA SER 26 HA SER 26 2.974 6.789 0.064
165 HB2 SER 26 1HB SER 26 3.828 8.593 2.341
166 HB3 SER 26 2HB SER 26 4.618 7.078 1.905
167 HG SER 26 HG SER 26 4.961 8.044 -0.201
168 H HIS 27 H HIS 27 1.553 8.231 2.994
169 HA HIS 27 HA HIS 27 1.364 6.004 4.587
170 HB2 HIS 27 1HB HIS 27 -0.371 8.432 4.295
171 HB3 HIS 27 2HB HIS 27 -0.843 7.146 5.402
172 HD2 HIS 27 HD2 HIS 27 2.545 6.788 6.211
173 HE1 HIS 27 HE1 HIS 27 1.692 10.495 8.089
174 HE2 HIS 27 HE2 HIS 27 3.333 8.595 7.886
175 H LEU 28 H LEU 28 -0.913 7.054 2.078
176 HA LEU 28 HA LEU 28 -2.803 5.004 2.476
177 HB2 LEU 28 1HB LEU 28 -3.477 6.906 1.252
178 HB3 LEU 28 2HB LEU 28 -2.135 6.745 0.121
179 HG LEU 28 HG LEU 28 -3.192 4.713 -0.799
180 HD11 LEU 28 1HD1 LEU 28 -5.517 4.208 -0.210
181 HD12 LEU 28 2HD1 LEU 28 -5.455 5.430 1.061
182 HD13 LEU 28 3HD1 LEU 28 -4.430 3.999 1.163
183 HD21 LEU 28 3HD2 LEU 28 -4.504 5.892 -2.228
184 HD22 LEU 28 1HD2 LEU 28 -3.715 7.248 -1.422
185 HD23 LEU 28 2HD2 LEU 28 -5.336 6.755 -0.933
186 H ALA 29 H ALA 29 -0.264 5.312 -0.011
187 HA ALA 29 HA ALA 29 -0.591 2.856 -1.238
188 HB1 ALA 29 3HB ALA 29 1.694 4.731 -0.936
189 HB2 ALA 29 1HB ALA 29 2.016 3.119 -1.575
190 HB3 ALA 29 2HB ALA 29 0.866 4.179 -2.392
191 H ASN 30 H ASN 30 1.763 3.626 1.335
192 HA ASN 30 HA ASN 30 2.722 1.054 1.738
193 HB2 ASN 30 1HB ASN 30 3.681 3.153 2.712
194 HB3 ASN 30 2HB ASN 30 2.366 3.156 3.883
195 HD21 ASN 30 1HD2 ASN 30 5.024 1.177 2.664
196 HD22 ASN 30 2HD2 ASN 30 5.368 0.399 4.168
197 H HIS 31 H HIS 31 -0.123 2.637 3.090
198 HA HIS 31 HA HIS 31 -0.792 0.686 4.997
199 HB2 HIS 31 1HB HIS 31 -1.920 2.730 5.217
200 HB3 HIS 31 2HB HIS 31 -2.381 2.766 3.517
201 HD1 HIS 31 HD1 HIS 31 -3.268 1.026 6.750
202 HD2 HIS 31 HD2 HIS 31 -4.820 1.643 2.945
203 HE1 HIS 31 HE1 HIS 31 -5.624 0.148 6.834
204 H GLN 32 H GLN 32 -2.202 1.186 1.755
205 HA GLN 32 HA GLN 32 -3.884 -0.899 1.527
206 HB2 GLN 32 1HB GLN 32 -1.914 0.130 -0.509
207 HB3 GLN 32 2HB GLN 32 -3.134 -1.074 -0.903
208 HG2 GLN 32 1HG GLN 32 -4.819 0.621 0.029
209 HG3 GLN 32 2HG GLN 32 -3.507 1.789 -0.120
210 HE21 GLN 32 1HE2 GLN 32 -5.864 -0.083 -1.767
211 HE22 GLN 32 2HE2 GLN 32 -5.568 0.532 -3.354
212 H ARG 33 H ARG 33 -0.438 -1.113 1.798
213 HA ARG 33 HA ARG 33 0.178 -3.557 0.734
214 HB2 ARG 33 1HB ARG 33 1.152 -2.405 3.354
215 HB3 ARG 33 2HB ARG 33 1.912 -3.743 2.501
216 HG2 ARG 33 1HG ARG 33 1.511 -1.116 1.134
217 HG3 ARG 33 2HG ARG 33 2.868 -1.360 2.236
218 HD2 ARG 33 1HD ARG 33 2.328 -3.340 0.063
219 HD3 ARG 33 2HD ARG 33 3.156 -1.829 -0.311
220 HE ARG 33 HE ARG 33 4.195 -4.062 1.210
221 HH11 ARG 33 1HH1 ARG 33 4.530 -0.702 0.362
222 HH12 ARG 33 2HH1 ARG 33 6.211 -0.630 0.775
223 HH21 ARG 33 1HH2 ARG 33 6.408 -3.981 1.757
224 HH22 ARG 33 2HH2 ARG 33 7.278 -2.496 1.567
225 H ILE 34 H ILE 34 -1.093 -2.957 4.005
226 HA ILE 34 HA ILE 34 -1.168 -5.507 4.998
227 HB ILE 34 HB ILE 34 -3.026 -4.843 6.407
228 HG12 ILE 34 1HG1 ILE 34 -3.286 -2.209 5.026
229 HG13 ILE 34 2HG1 ILE 34 -4.099 -3.601 4.320
230 HG21 ILE 34 1HG2 ILE 34 -0.911 -2.782 5.888
231 HG22 ILE 34 2HG2 ILE 34 -2.092 -2.584 7.182
232 HG23 ILE 34 3HG2 ILE 34 -1.004 -3.973 7.186
233 HD11 ILE 34 3HD1 ILE 34 -4.703 -2.092 6.764
234 HD12 ILE 34 1HD1 ILE 34 -5.776 -2.948 5.657
235 HD13 ILE 34 2HD1 ILE 34 -4.877 -3.843 6.883
236 H HIS 35 H HIS 35 -3.084 -4.172 2.448
237 HA HIS 35 HA HIS 35 -4.965 -6.403 2.501
238 HB2 HIS 35 1HB HIS 35 -4.827 -4.000 0.667
239 HB3 HIS 35 2HB HIS 35 -6.116 -5.201 0.685
240 HD1 HIS 35 HD1 HIS 35 -7.104 -5.419 3.379
241 HD2 HIS 35 HD2 HIS 35 -5.614 -1.797 1.994
242 HE1 HIS 35 HE1 HIS 35 -8.094 -3.666 4.885
243 H THR 36 H THR 36 -2.589 -4.941 0.299
244 HA THR 36 HA THR 36 -2.821 -7.030 -1.643
245 HB THR 36 HB THR 36 -0.671 -4.928 -1.316
246 HG1 THR 36 HG1 THR 36 -3.196 -4.969 -2.512
247 HG21 THR 36 3HG2 THR 36 -0.387 -5.425 -3.816
248 HG22 THR 36 1HG2 THR 36 -1.252 -6.926 -3.486
249 HG23 THR 36 2HG2 THR 36 0.278 -6.592 -2.673
250 H GLY 37 H GLY 37 -2.021 -9.011 -1.440
251 HA2 GLY 37 1HA GLY 37 0.501 -9.347 0.060
252 HA3 GLY 37 2HA GLY 37 -0.847 -10.456 0.264
253 H VAL 38 H VAL 38 -0.479 -12.324 -0.708
254 HA VAL 38 HA VAL 38 0.606 -12.306 -3.434
255 HB VAL 38 HB VAL 38 2.476 -12.811 -1.901
256 HG11 VAL 38 1HG1 VAL 38 1.080 -13.863 -0.131
257 HG12 VAL 38 2HG1 VAL 38 0.917 -15.284 -1.164
258 HG13 VAL 38 3HG1 VAL 38 2.506 -14.805 -0.565
259 HG21 VAL 38 3HG2 VAL 38 3.088 -15.030 -2.956
260 HG22 VAL 38 1HG2 VAL 38 1.495 -15.003 -3.712
261 HG23 VAL 38 2HG2 VAL 38 2.663 -13.731 -4.071
262 H LYS 39 H LYS 39 -0.507 -13.565 -4.785
263 HA LYS 39 HA LYS 39 -1.945 -15.134 -5.593
264 HB2 LYS 39 1HB LYS 39 -0.493 -16.546 -3.886
265 HB3 LYS 39 2HB LYS 39 -2.010 -16.607 -2.997
266 HG2 LYS 39 1HG LYS 39 -1.953 -18.553 -4.310
267 HG3 LYS 39 2HG LYS 39 -3.073 -17.460 -5.126
268 HD2 LYS 39 1HD LYS 39 -1.802 -18.204 -6.897
269 HD3 LYS 39 2HD LYS 39 -0.933 -16.735 -6.447
270 HE2 LYS 39 1HE LYS 39 0.435 -18.334 -4.919
271 HE3 LYS 39 2HE LYS 39 -0.198 -19.597 -5.974
272 HZ1 LYS 39 3HZ LYS 39 1.898 -18.895 -6.818
273 HZ2 LYS 39 1HZ LYS 39 1.453 -17.263 -6.771
274 HZ3 LYS 39 2HZ LYS 39 0.712 -18.311 -7.873
275 HA PRO 40 HA PRO 40 -5.223 -13.033 -2.917
276 HB2 PRO 40 1HB PRO 40 -5.987 -11.178 -4.746
277 HB3 PRO 40 2HB PRO 40 -4.701 -10.892 -3.567
278 HG2 PRO 40 1HG PRO 40 -4.490 -11.679 -6.448
279 HG3 PRO 40 2HG PRO 40 -3.540 -10.488 -5.541
280 HD2 PRO 40 1HD PRO 40 -2.622 -12.977 -6.083
281 HD3 PRO 40 2HD PRO 40 -2.182 -12.098 -4.605
282 H SER 41 H SER 41 -4.920 -14.899 -5.617
283 HA SER 41 HA SER 41 -7.745 -14.816 -6.361
284 HB2 SER 41 1HB SER 41 -5.925 -14.886 -8.110
285 HB3 SER 41 2HB SER 41 -5.564 -16.526 -7.571
286 HG SER 41 HG SER 41 -7.602 -17.164 -8.208
287 H GLY 42 H GLY 42 -9.114 -16.603 -6.218
288 HA2 GLY 42 1HA GLY 42 -9.591 -18.880 -5.682
289 HA3 GLY 42 2HA GLY 42 -8.108 -18.935 -4.739
290 HA PRO 43 HA PRO 43 -12.037 -17.724 -2.219
291 HB2 PRO 43 1HB PRO 43 -13.016 -20.164 -1.539
292 HB3 PRO 43 2HB PRO 43 -13.561 -19.274 -2.965
293 HG2 PRO 43 1HG PRO 43 -11.581 -21.510 -2.771
294 HG3 PRO 43 2HG PRO 43 -12.867 -21.255 -3.965
295 HD2 PRO 43 1HD PRO 43 -10.273 -20.662 -4.468
296 HD3 PRO 43 2HD PRO 43 -11.617 -19.741 -5.173
297 H SER 44 H SER 44 -9.498 -20.085 -1.963
298 HA SER 44 HA SER 44 -8.208 -20.812 -0.234
299 HB2 SER 44 1HB SER 44 -9.029 -18.120 0.878
300 HB3 SER 44 2HB SER 44 -7.760 -19.132 1.565
301 HG SER 44 HG SER 44 -7.692 -18.423 -1.156
302 H SER 45 H SER 45 -10.776 -21.851 -0.231
303 HA SER 45 HA SER 45 -12.289 -21.640 2.062
304 HB2 SER 45 1HB SER 45 -13.026 -22.972 0.168
305 HB3 SER 45 2HB SER 45 -11.709 -24.118 0.422
306 HG SER 45 HG SER 45 -13.791 -23.580 2.275
307 H GLY 46 H GLY 46 -12.377 -22.808 4.023
308 HA2 GLY 46 1HA GLY 46 -9.965 -24.312 4.762
309 HA3 GLY 46 2HA GLY 46 -10.408 -22.911 5.727
Start of MODEL 4
1 H1 GLY 1 H GLY 1 -35.018 25.327 -2.316
2 HA2 GLY 1 1HA GLY 1 -32.904 25.021 -1.252
3 HA3 GLY 1 2HA GLY 1 -33.718 23.471 -1.091
4 H SER 2 H SER 2 -30.848 24.106 -1.230
5 HA SER 2 HA SER 2 -30.125 22.070 -3.138
6 HB2 SER 2 1HB SER 2 -28.499 23.459 -4.362
7 HB3 SER 2 2HB SER 2 -30.144 24.052 -4.585
8 HG SER 2 HG SER 2 -29.612 25.524 -2.780
9 H SER 3 H SER 3 -27.569 21.952 -3.168
10 HA SER 3 HA SER 3 -26.653 22.304 -0.388
11 HB2 SER 3 1HB SER 3 -26.262 19.989 -2.280
12 HB3 SER 3 2HB SER 3 -25.212 20.237 -0.886
13 HG SER 3 HG SER 3 -28.021 20.176 -0.621
14 H GLY 4 H GLY 4 -25.332 24.029 -0.492
15 HA2 GLY 4 1HA GLY 4 -23.289 24.057 -2.625
16 HA3 GLY 4 2HA GLY 4 -23.919 25.497 -1.840
17 H SER 5 H SER 5 -23.556 25.544 0.597
18 HA SER 5 HA SER 5 -20.878 25.684 1.171
19 HB2 SER 5 1HB SER 5 -22.874 26.576 2.523
20 HB3 SER 5 2HB SER 5 -22.900 24.992 3.297
21 HG SER 5 HG SER 5 -21.345 25.682 4.509
22 H SER 6 H SER 6 -19.309 24.273 1.578
23 HA SER 6 HA SER 6 -20.067 21.493 2.197
24 HB2 SER 6 1HB SER 6 -19.053 21.624 0.000
25 HB3 SER 6 2HB SER 6 -17.689 22.539 0.643
26 HG SER 6 HG SER 6 -16.893 20.556 0.684
27 H GLY 7 H GLY 7 -17.514 23.927 2.674
28 HA2 GLY 7 1HA GLY 7 -16.558 24.468 4.762
29 HA3 GLY 7 2HA GLY 7 -17.180 22.958 5.412
30 H THR 8 H THR 8 -15.740 21.413 5.771
31 HA THR 8 HA THR 8 -13.297 21.349 4.133
32 HB THR 8 HB THR 8 -12.570 22.345 6.173
33 HG1 THR 8 HG1 THR 8 -11.423 20.333 7.109
34 HG21 THR 8 3HG2 THR 8 -13.252 20.264 8.062
35 HG22 THR 8 1HG2 THR 8 -14.696 20.963 7.332
36 HG23 THR 8 2HG2 THR 8 -13.534 22.001 8.157
37 H GLY 9 H GLY 9 -13.233 19.471 3.093
38 HA2 GLY 9 1HA GLY 9 -13.397 16.980 4.477
39 HA3 GLY 9 2HA GLY 9 -14.839 17.270 3.515
40 H GLU 10 H GLU 10 -11.362 17.852 2.976
41 HA GLU 10 HA GLU 10 -11.629 16.848 0.266
42 HB2 GLU 10 1HB GLU 10 -9.305 17.587 -0.010
43 HB3 GLU 10 2HB GLU 10 -10.315 18.869 0.644
44 HG2 GLU 10 1HG GLU 10 -9.462 18.089 2.937
45 HG3 GLU 10 2HG GLU 10 -8.215 17.244 2.022
46 H LYS 11 H LYS 11 -11.071 14.876 -0.398
47 HA LYS 11 HA LYS 11 -9.572 13.159 1.470
48 HB2 LYS 11 1HB LYS 11 -11.880 12.585 -0.354
49 HB3 LYS 11 2HB LYS 11 -10.767 11.295 0.080
50 HG2 LYS 11 1HG LYS 11 -11.394 11.317 2.299
51 HG3 LYS 11 2HG LYS 11 -12.002 12.972 2.218
52 HD2 LYS 11 1HD LYS 11 -13.903 11.562 2.361
53 HD3 LYS 11 2HD LYS 11 -13.810 12.105 0.684
54 HE2 LYS 11 1HE LYS 11 -12.961 10.022 -0.042
55 HE3 LYS 11 2HE LYS 11 -12.631 9.497 1.609
56 HZ1 LYS 11 3HZ LYS 11 -14.656 8.514 0.544
57 HZ2 LYS 11 1HZ LYS 11 -15.366 10.048 0.610
58 HZ3 LYS 11 2HZ LYS 11 -14.925 9.259 2.039
59 HA PRO 12 HA PRO 12 -6.911 13.643 -2.266
60 HB2 PRO 12 1HB PRO 12 -4.585 13.683 -0.867
61 HB3 PRO 12 2HB PRO 12 -5.565 15.128 -1.143
62 HG2 PRO 12 1HG PRO 12 -5.421 13.371 1.276
63 HG3 PRO 12 2HG PRO 12 -5.470 15.141 1.180
64 HD2 PRO 12 1HD PRO 12 -7.656 13.653 1.764
65 HD3 PRO 12 2HD PRO 12 -7.754 15.187 0.877
66 H TYR 13 H TYR 13 -6.525 11.565 0.578
67 HA TYR 13 HA TYR 13 -5.858 9.342 -1.211
68 HB2 TYR 13 1HB TYR 13 -4.371 9.812 1.374
69 HB3 TYR 13 2HB TYR 13 -4.021 8.612 0.134
70 HD1 TYR 13 HD2 TYR 13 -3.323 9.495 -2.184
71 HD2 TYR 13 HD1 TYR 13 -3.296 11.881 1.339
72 HE1 TYR 13 HE2 TYR 13 -1.758 11.057 -3.261
73 HE2 TYR 13 HE1 TYR 13 -1.732 13.451 0.271
74 HH TYR 13 HH TYR 13 0.024 13.290 -1.633
75 H LYS 14 H LYS 14 -6.984 7.559 -0.773
76 HA LYS 14 HA LYS 14 -7.850 6.941 1.917
77 HB2 LYS 14 1HB LYS 14 -9.665 8.375 1.305
78 HB3 LYS 14 2HB LYS 14 -9.813 7.615 -0.275
79 HG2 LYS 14 1HG LYS 14 -10.256 5.469 1.213
80 HG3 LYS 14 2HG LYS 14 -10.768 6.695 2.375
81 HD2 LYS 14 1HD LYS 14 -12.306 7.623 0.700
82 HD3 LYS 14 2HD LYS 14 -11.805 6.373 -0.442
83 HE2 LYS 14 1HE LYS 14 -13.888 5.728 0.584
84 HE3 LYS 14 2HE LYS 14 -12.606 4.656 1.145
85 HZ1 LYS 14 3HZ LYS 14 -12.457 6.214 3.125
86 HZ2 LYS 14 1HZ LYS 14 -13.814 5.205 3.047
87 HZ3 LYS 14 2HZ LYS 14 -13.948 6.837 2.622
88 H CYS 15 H CYS 15 -8.330 4.781 2.210
89 HA CYS 15 HA CYS 15 -7.465 3.027 0.065
90 HB2 CYS 15 1HB CYS 15 -6.683 2.754 2.436
91 HB3 CYS 15 2HB CYS 15 -8.325 2.285 2.866
92 H ASN 16 H ASN 16 -8.830 2.126 -1.316
93 HA ASN 16 HA ASN 16 -11.682 2.109 -0.725
94 HB2 ASN 16 1HB ASN 16 -10.021 1.876 -3.190
95 HB3 ASN 16 2HB ASN 16 -11.616 1.128 -3.201
96 HD21 ASN 16 1HD2 ASN 16 -13.365 2.621 -2.268
97 HD22 ASN 16 2HD2 ASN 16 -13.341 4.248 -2.851
98 H GLU 17 H GLU 17 -9.581 0.212 0.423
99 HA GLU 17 HA GLU 17 -10.801 -2.320 -0.450
100 HB2 GLU 17 1HB GLU 17 -8.214 -1.947 1.065
101 HB3 GLU 17 2HB GLU 17 -8.828 -3.444 0.377
102 HG2 GLU 17 1HG GLU 17 -8.397 -1.142 -1.445
103 HG3 GLU 17 2HG GLU 17 -6.986 -2.004 -0.836
104 H CYS 18 H CYS 18 -10.220 -0.218 2.258
105 HA CYS 18 HA CYS 18 -11.825 -2.021 3.945
106 HB2 CYS 18 1HB CYS 18 -10.510 -1.191 5.901
107 HB3 CYS 18 2HB CYS 18 -9.561 -2.142 4.762
108 H GLY 19 H GLY 19 -10.762 1.322 3.399
109 HA2 GLY 19 1HA GLY 19 -12.586 2.972 3.144
110 HA3 GLY 19 2HA GLY 19 -13.343 2.209 4.535
111 H LYS 20 H LYS 20 -9.967 3.172 4.002
112 HA LYS 20 HA LYS 20 -10.182 4.867 6.402
113 HB2 LYS 20 1HB LYS 20 -7.998 3.114 5.355
114 HB3 LYS 20 2HB LYS 20 -7.567 4.533 6.302
115 HG2 LYS 20 1HG LYS 20 -8.870 3.729 8.170
116 HG3 LYS 20 2HG LYS 20 -9.426 2.349 7.220
117 HD2 LYS 20 1HD LYS 20 -6.864 1.890 6.943
118 HD3 LYS 20 2HD LYS 20 -6.732 2.891 8.391
119 HE2 LYS 20 1HE LYS 20 -8.178 1.406 9.610
120 HE3 LYS 20 2HE LYS 20 -8.516 0.471 8.154
121 HZ1 LYS 20 3HZ LYS 20 -6.528 -0.579 8.254
122 HZ2 LYS 20 1HZ LYS 20 -6.700 -0.261 9.907
123 HZ3 LYS 20 2HZ LYS 20 -5.721 0.734 8.952
124 H VAL 21 H VAL 21 -8.780 6.779 6.447
125 HA VAL 21 HA VAL 21 -8.209 7.851 3.765
126 HB VAL 21 HB VAL 21 -9.445 9.422 6.030
127 HG11 VAL 21 1HG1 VAL 21 -8.180 10.944 4.802
128 HG12 VAL 21 2HG1 VAL 21 -8.527 10.142 3.269
129 HG13 VAL 21 3HG1 VAL 21 -9.785 11.073 4.083
130 HG21 VAL 21 3HG2 VAL 21 -11.083 7.902 5.135
131 HG22 VAL 21 1HG2 VAL 21 -11.436 9.528 4.550
132 HG23 VAL 21 2HG2 VAL 21 -10.661 8.356 3.484
133 H PHE 22 H PHE 22 -6.344 8.982 3.549
134 HA PHE 22 HA PHE 22 -4.777 9.489 5.990
135 HB2 PHE 22 1HB PHE 22 -3.627 8.584 3.345
136 HB3 PHE 22 2HB PHE 22 -2.761 8.794 4.863
137 HD1 PHE 22 HD2 PHE 22 -3.034 7.190 6.683
138 HD2 PHE 22 HD1 PHE 22 -4.943 6.632 2.920
139 HE1 PHE 22 HE2 PHE 22 -3.455 4.833 7.250
140 HE2 PHE 22 HE1 PHE 22 -5.368 4.274 3.481
141 HZ PHE 22 HZ PHE 22 -4.622 3.371 5.648
142 H THR 23 H THR 23 -2.985 11.085 5.612
143 HA THR 23 HA THR 23 -4.060 13.340 4.100
144 HB THR 23 HB THR 23 -1.706 13.326 5.996
145 HG1 THR 23 HG1 THR 23 -3.378 14.311 7.417
146 HG21 THR 23 3HG2 THR 23 -2.589 15.804 6.136
147 HG22 THR 23 1HG2 THR 23 -3.231 15.434 4.537
148 HG23 THR 23 2HG2 THR 23 -1.499 15.305 4.843
149 H GLN 24 H GLN 24 -1.227 11.264 4.252
150 HA GLN 24 HA GLN 24 -0.109 12.655 1.914
151 HB2 GLN 24 1HB GLN 24 1.218 12.262 4.132
152 HB3 GLN 24 2HB GLN 24 1.411 10.627 3.514
153 HG2 GLN 24 1HG GLN 24 2.735 11.296 1.761
154 HG3 GLN 24 2HG GLN 24 2.094 12.938 1.764
155 HE21 GLN 24 1HE2 GLN 24 4.589 13.093 1.574
156 HE22 GLN 24 2HE2 GLN 24 5.417 13.363 3.066
157 H ASN 25 H ASN 25 0.628 11.451 0.125
158 HA ASN 25 HA ASN 25 -1.035 9.327 -0.656
159 HB2 ASN 25 1HB ASN 25 0.057 9.406 -2.691
160 HB3 ASN 25 2HB ASN 25 0.428 11.007 -2.060
161 HD21 ASN 25 1HD2 ASN 25 1.711 8.421 -3.565
162 HD22 ASN 25 2HD2 ASN 25 3.367 8.595 -3.106
163 H SER 26 H SER 26 2.355 9.355 0.407
164 HA SER 26 HA SER 26 2.973 6.686 0.081
165 HB2 SER 26 1HB SER 26 3.859 8.654 2.194
166 HB3 SER 26 2HB SER 26 4.547 7.036 2.048
167 HG SER 26 HG SER 26 5.851 8.138 0.763
168 H HIS 27 H HIS 27 1.232 8.245 2.723
169 HA HIS 27 HA HIS 27 1.117 6.092 4.497
170 HB2 HIS 27 1HB HIS 27 -0.795 8.377 4.015
171 HB3 HIS 27 2HB HIS 27 -1.005 7.216 5.322
172 HD2 HIS 27 HD2 HIS 27 2.634 8.346 4.711
173 HE1 HIS 27 HE1 HIS 27 1.179 10.444 8.100
174 HE2 HIS 27 HE2 HIS 27 3.186 9.956 6.659
175 H LEU 28 H LEU 28 -1.137 7.027 1.913
176 HA LEU 28 HA LEU 28 -2.975 4.934 2.328
177 HB2 LEU 28 1HB LEU 28 -3.629 6.840 1.055
178 HB3 LEU 28 2HB LEU 28 -2.322 6.588 -0.100
179 HG LEU 28 HG LEU 28 -3.429 4.591 -0.944
180 HD11 LEU 28 1HD1 LEU 28 -5.639 5.241 1.000
181 HD12 LEU 28 2HD1 LEU 28 -4.497 3.908 1.166
182 HD13 LEU 28 3HD1 LEU 28 -5.628 3.936 -0.187
183 HD21 LEU 28 3HD2 LEU 28 -5.582 5.755 -1.739
184 HD22 LEU 28 1HD2 LEU 28 -4.031 6.484 -2.158
185 HD23 LEU 28 2HD2 LEU 28 -4.988 7.149 -0.835
186 H ALA 29 H ALA 29 -0.245 5.237 0.072
187 HA ALA 29 HA ALA 29 -0.545 2.735 -1.165
188 HB1 ALA 29 3HB ALA 29 2.030 3.074 -1.534
189 HB2 ALA 29 1HB ALA 29 0.857 4.116 -2.340
190 HB3 ALA 29 2HB ALA 29 1.693 4.683 -0.894
191 H ASN 30 H ASN 30 1.872 3.662 1.297
192 HA ASN 30 HA ASN 30 2.852 1.131 1.826
193 HB2 ASN 30 1HB ASN 30 3.793 3.305 2.665
194 HB3 ASN 30 2HB ASN 30 2.521 3.321 3.884
195 HD21 ASN 30 1HD2 ASN 30 5.090 1.238 2.614
196 HD22 ASN 30 2HD2 ASN 30 5.545 0.577 4.144
197 H HIS 31 H HIS 31 -0.170 2.524 2.717
198 HA HIS 31 HA HIS 31 -0.720 0.730 4.891
199 HB2 HIS 31 1HB HIS 31 -1.900 2.734 5.071
200 HB3 HIS 31 2HB HIS 31 -2.315 2.758 3.360
201 HD1 HIS 31 HD1 HIS 31 -3.168 0.722 6.458
202 HD2 HIS 31 HD2 HIS 31 -4.840 1.924 2.850
203 HE1 HIS 31 HE1 HIS 31 -5.546 -0.094 6.514
204 H GLN 32 H GLN 32 -2.179 1.094 1.652
205 HA GLN 32 HA GLN 32 -3.814 -1.038 1.519
206 HB2 GLN 32 1HB GLN 32 -1.979 0.147 -0.529
207 HB3 GLN 32 2HB GLN 32 -2.917 -1.285 -0.933
208 HG2 GLN 32 1HG GLN 32 -4.973 -0.054 -0.301
209 HG3 GLN 32 2HG GLN 32 -3.987 1.387 -0.060
210 HE21 GLN 32 1HE2 GLN 32 -4.709 2.660 -1.660
211 HE22 GLN 32 2HE2 GLN 32 -4.630 2.268 -3.340
212 H ARG 33 H ARG 33 -0.361 -1.157 1.738
213 HA ARG 33 HA ARG 33 0.266 -3.640 0.735
214 HB2 ARG 33 1HB ARG 33 1.344 -2.353 3.250
215 HB3 ARG 33 2HB ARG 33 2.098 -3.693 2.396
216 HG2 ARG 33 1HG ARG 33 2.338 -2.241 0.410
217 HG3 ARG 33 2HG ARG 33 1.683 -0.900 1.352
218 HD2 ARG 33 1HD ARG 33 3.536 -0.871 2.798
219 HD3 ARG 33 2HD ARG 33 4.078 -2.463 2.267
220 HE ARG 33 HE ARG 33 4.677 0.051 1.049
221 HH11 ARG 33 1HH1 ARG 33 4.218 -3.344 0.426
222 HH12 ARG 33 2HH1 ARG 33 5.210 -3.350 -0.994
223 HH21 ARG 33 1HH2 ARG 33 5.985 0.055 -0.820
224 HH22 ARG 33 2HH2 ARG 33 6.215 -1.417 -1.702
225 H ILE 34 H ILE 34 -0.957 -2.874 3.982
226 HA ILE 34 HA ILE 34 -0.897 -5.395 5.108
227 HB ILE 34 HB ILE 34 -2.629 -4.678 6.622
228 HG12 ILE 34 1HG1 ILE 34 -3.097 -2.140 5.123
229 HG13 ILE 34 2HG1 ILE 34 -3.913 -3.596 4.564
230 HG21 ILE 34 1HG2 ILE 34 -0.867 -3.576 7.460
231 HG22 ILE 34 2HG2 ILE 34 -0.406 -2.923 5.889
232 HG23 ILE 34 3HG2 ILE 34 -1.669 -2.135 6.835
233 HD11 ILE 34 3HD1 ILE 34 -4.381 -3.627 7.268
234 HD12 ILE 34 1HD1 ILE 34 -4.462 -1.913 6.863
235 HD13 ILE 34 2HD1 ILE 34 -5.499 -3.067 6.025
236 H HIS 35 H HIS 35 -2.838 -4.259 2.530
237 HA HIS 35 HA HIS 35 -4.769 -6.437 2.826
238 HB2 HIS 35 1HB HIS 35 -4.679 -4.114 0.890
239 HB3 HIS 35 2HB HIS 35 -5.947 -5.335 0.933
240 HD1 HIS 35 HD1 HIS 35 -6.810 -5.515 3.726
241 HD2 HIS 35 HD2 HIS 35 -5.632 -1.891 2.070
242 HE1 HIS 35 HE1 HIS 35 -7.864 -3.744 5.166
243 H THR 36 H THR 36 -2.213 -7.310 2.299
244 HA THR 36 HA THR 36 -2.215 -7.973 -0.564
245 HB THR 36 HB THR 36 -0.120 -7.020 0.169
246 HG1 THR 36 HG1 THR 36 1.226 -9.030 -0.179
247 HG21 THR 36 3HG2 THR 36 -0.645 -8.382 2.564
248 HG22 THR 36 1HG2 THR 36 0.752 -7.374 2.191
249 HG23 THR 36 2HG2 THR 36 0.820 -9.113 1.908
250 H GLY 37 H GLY 37 -3.977 -9.509 -0.184
251 HA2 GLY 37 1HA GLY 37 -2.892 -12.108 0.661
252 HA3 GLY 37 2HA GLY 37 -4.427 -11.566 1.322
253 H VAL 38 H VAL 38 -2.775 -12.224 -1.750
254 HA VAL 38 HA VAL 38 -5.343 -12.607 -3.077
255 HB VAL 38 HB VAL 38 -4.035 -12.881 -5.133
256 HG11 VAL 38 1HG1 VAL 38 -3.195 -10.475 -3.519
257 HG12 VAL 38 2HG1 VAL 38 -3.157 -10.607 -5.278
258 HG13 VAL 38 3HG1 VAL 38 -4.700 -10.638 -4.422
259 HG21 VAL 38 3HG2 VAL 38 -2.064 -13.962 -4.392
260 HG22 VAL 38 1HG2 VAL 38 -1.560 -12.384 -4.997
261 HG23 VAL 38 2HG2 VAL 38 -1.689 -12.662 -3.260
262 H LYS 39 H LYS 39 -6.133 -14.536 -3.759
263 HA LYS 39 HA LYS 39 -4.760 -16.929 -2.774
264 HB2 LYS 39 1HB LYS 39 -6.915 -18.050 -3.006
265 HB3 LYS 39 2HB LYS 39 -7.081 -16.586 -2.047
266 HG2 LYS 39 1HG LYS 39 -7.712 -15.523 -4.363
267 HG3 LYS 39 2HG LYS 39 -8.099 -17.196 -4.773
268 HD2 LYS 39 1HD LYS 39 -9.244 -15.549 -2.522
269 HD3 LYS 39 2HD LYS 39 -10.090 -16.145 -3.952
270 HE2 LYS 39 1HE LYS 39 -9.321 -18.481 -3.065
271 HE3 LYS 39 2HE LYS 39 -9.168 -17.629 -1.530
272 HZ1 LYS 39 3HZ LYS 39 -11.399 -18.768 -2.209
273 HZ2 LYS 39 1HZ LYS 39 -11.650 -17.328 -3.061
274 HZ3 LYS 39 2HZ LYS 39 -11.406 -17.289 -1.388
275 HA PRO 40 HA PRO 40 -3.651 -18.327 -6.789
276 HB2 PRO 40 1HB PRO 40 -3.739 -21.014 -6.414
277 HB3 PRO 40 2HB PRO 40 -2.466 -19.991 -5.738
278 HG2 PRO 40 1HG PRO 40 -4.920 -21.084 -4.416
279 HG3 PRO 40 2HG PRO 40 -3.263 -20.986 -3.793
280 HD2 PRO 40 1HD PRO 40 -5.189 -19.215 -3.096
281 HD3 PRO 40 2HD PRO 40 -3.477 -18.764 -3.218
282 H SER 41 H SER 41 -6.727 -18.685 -5.536
283 HA SER 41 HA SER 41 -7.731 -20.105 -7.903
284 HB2 SER 41 1HB SER 41 -9.047 -19.495 -5.247
285 HB3 SER 41 2HB SER 41 -9.863 -20.277 -6.600
286 HG SER 41 HG SER 41 -8.491 -21.460 -4.750
287 H GLY 42 H GLY 42 -8.582 -18.962 -9.505
288 HA2 GLY 42 1HA GLY 42 -10.491 -16.974 -9.303
289 HA3 GLY 42 2HA GLY 42 -8.943 -16.142 -9.321
290 HA PRO 43 HA PRO 43 -10.458 -17.643 -13.646
291 HB2 PRO 43 1HB PRO 43 -12.026 -15.567 -14.421
292 HB3 PRO 43 2HB PRO 43 -12.664 -17.003 -13.613
293 HG2 PRO 43 1HG PRO 43 -12.005 -14.319 -12.464
294 HG3 PRO 43 2HG PRO 43 -13.413 -15.352 -12.157
295 HD2 PRO 43 1HD PRO 43 -11.309 -15.213 -10.457
296 HD3 PRO 43 2HD PRO 43 -12.262 -16.694 -10.677
297 H SER 44 H SER 44 -9.308 -17.023 -15.415
298 HA SER 44 HA SER 44 -7.845 -14.472 -15.223
299 HB2 SER 44 1HB SER 44 -6.529 -16.674 -15.067
300 HB3 SER 44 2HB SER 44 -6.895 -16.873 -16.781
301 HG SER 44 HG SER 44 -5.076 -15.760 -16.900
302 H SER 45 H SER 45 -7.165 -13.572 -17.356
303 HA SER 45 HA SER 45 -9.396 -13.127 -18.995
304 HB2 SER 45 1HB SER 45 -7.897 -11.870 -20.428
305 HB3 SER 45 2HB SER 45 -7.469 -11.561 -18.746
306 HG SER 45 HG SER 45 -5.982 -13.527 -19.270
307 H GLY 46 H GLY 46 -9.235 -13.406 -21.474
308 HA2 GLY 46 1HA GLY 46 -9.419 -14.883 -23.223
309 HA3 GLY 46 2HA GLY 46 -7.842 -15.458 -22.703
Start of MODEL 5
1 H1 GLY 1 H GLY 1 -38.890 8.824 -1.504
2 HA2 GLY 1 1HA GLY 1 -40.493 7.459 0.367
3 HA3 GLY 1 2HA GLY 1 -39.362 6.318 -0.345
4 H SER 2 H SER 2 -38.975 6.446 2.177
5 HA SER 2 HA SER 2 -37.645 8.508 3.407
6 HB2 SER 2 1HB SER 2 -37.116 5.542 3.707
7 HB3 SER 2 2HB SER 2 -36.579 6.784 4.839
8 HG SER 2 HG SER 2 -39.144 5.788 4.361
9 H SER 3 H SER 3 -35.654 9.382 3.347
10 HA SER 3 HA SER 3 -33.770 8.279 1.374
11 HB2 SER 3 1HB SER 3 -32.798 10.582 1.337
12 HB3 SER 3 2HB SER 3 -34.482 10.525 0.816
13 HG SER 3 HG SER 3 -34.458 12.157 2.239
14 H GLY 4 H GLY 4 -31.434 8.663 1.865
15 HA2 GLY 4 1HA GLY 4 -30.929 7.888 4.643
16 HA3 GLY 4 2HA GLY 4 -29.816 7.699 3.296
17 H SER 5 H SER 5 -28.041 8.772 3.921
18 HA SER 5 HA SER 5 -28.316 11.646 4.405
19 HB2 SER 5 1HB SER 5 -26.835 9.714 6.197
20 HB3 SER 5 2HB SER 5 -26.572 11.457 6.230
21 HG SER 5 HG SER 5 -28.413 11.718 7.230
22 H SER 6 H SER 6 -27.250 12.474 2.728
23 HA SER 6 HA SER 6 -24.520 11.510 2.216
24 HB2 SER 6 1HB SER 6 -24.818 11.499 -0.122
25 HB3 SER 6 2HB SER 6 -26.276 10.728 0.501
26 HG SER 6 HG SER 6 -27.417 12.574 0.119
27 H GLY 7 H GLY 7 -23.011 13.065 1.736
28 HA2 GLY 7 1HA GLY 7 -23.980 15.858 1.762
29 HA3 GLY 7 2HA GLY 7 -22.558 15.347 2.659
30 H THR 8 H THR 8 -20.617 15.083 1.608
31 HA THR 8 HA THR 8 -20.584 15.928 -1.216
32 HB THR 8 HB THR 8 -18.235 16.724 -0.733
33 HG1 THR 8 HG1 THR 8 -17.697 17.021 1.451
34 HG21 THR 8 3HG2 THR 8 -19.587 18.483 1.047
35 HG22 THR 8 1HG2 THR 8 -20.739 17.947 -0.176
36 HG23 THR 8 2HG2 THR 8 -19.228 18.715 -0.664
37 H GLY 9 H GLY 9 -18.485 15.224 -2.341
38 HA2 GLY 9 1HA GLY 9 -17.535 12.613 -1.415
39 HA3 GLY 9 2HA GLY 9 -18.331 12.683 -2.980
40 H GLU 10 H GLU 10 -15.565 13.849 -1.128
41 HA GLU 10 HA GLU 10 -13.902 13.708 -3.474
42 HB2 GLU 10 1HB GLU 10 -14.880 15.938 -3.750
43 HB3 GLU 10 2HB GLU 10 -14.360 16.377 -2.129
44 HG2 GLU 10 1HG GLU 10 -12.048 16.217 -2.775
45 HG3 GLU 10 2HG GLU 10 -12.501 15.623 -4.371
46 H LYS 11 H LYS 11 -11.970 12.988 -2.873
47 HA LYS 11 HA LYS 11 -10.724 13.868 -0.420
48 HB2 LYS 11 1HB LYS 11 -11.592 11.004 -0.812
49 HB3 LYS 11 2HB LYS 11 -10.357 11.482 0.346
50 HG2 LYS 11 1HG LYS 11 -12.013 12.940 1.456
51 HG3 LYS 11 2HG LYS 11 -13.242 12.343 0.339
52 HD2 LYS 11 1HD LYS 11 -13.308 10.266 1.309
53 HD3 LYS 11 2HD LYS 11 -11.641 10.361 1.880
54 HE2 LYS 11 1HE LYS 11 -12.273 11.883 3.631
55 HE3 LYS 11 2HE LYS 11 -13.917 11.989 3.002
56 HZ1 LYS 11 3HZ LYS 11 -13.408 10.431 4.980
57 HZ2 LYS 11 1HZ LYS 11 -12.823 9.375 3.795
58 HZ3 LYS 11 2HZ LYS 11 -14.433 9.891 3.748
59 HA PRO 12 HA PRO 12 -7.148 13.318 -2.928
60 HB2 PRO 12 1HB PRO 12 -5.256 13.294 -0.982
61 HB3 PRO 12 2HB PRO 12 -6.097 14.764 -1.485
62 HG2 PRO 12 1HG PRO 12 -6.619 12.997 0.874
63 HG3 PRO 12 2HG PRO 12 -6.598 14.768 0.785
64 HD2 PRO 12 1HD PRO 12 -8.896 13.336 0.779
65 HD3 PRO 12 2HD PRO 12 -8.728 14.875 -0.091
66 H TYR 13 H TYR 13 -7.105 11.354 0.055
67 HA TYR 13 HA TYR 13 -6.465 9.001 -1.566
68 HB2 TYR 13 1HB TYR 13 -4.969 9.602 0.984
69 HB3 TYR 13 2HB TYR 13 -4.633 8.338 -0.194
70 HD1 TYR 13 HD2 TYR 13 -3.545 8.877 -2.319
71 HD2 TYR 13 HD1 TYR 13 -4.248 11.876 0.615
72 HE1 TYR 13 HE2 TYR 13 -1.960 10.366 -3.469
73 HE2 TYR 13 HE1 TYR 13 -2.666 13.374 -0.527
74 HH TYR 13 HH TYR 13 -1.052 12.391 -3.534
75 H LYS 14 H LYS 14 -7.799 7.401 -1.080
76 HA LYS 14 HA LYS 14 -8.623 6.953 1.675
77 HB2 LYS 14 1HB LYS 14 -10.386 8.399 0.923
78 HB3 LYS 14 2HB LYS 14 -10.564 7.494 -0.574
79 HG2 LYS 14 1HG LYS 14 -11.323 5.544 0.733
80 HG3 LYS 14 2HG LYS 14 -11.227 6.524 2.198
81 HD2 LYS 14 1HD LYS 14 -12.804 8.144 1.032
82 HD3 LYS 14 2HD LYS 14 -13.062 6.868 -0.161
83 HE2 LYS 14 1HE LYS 14 -13.963 5.405 1.479
84 HE3 LYS 14 2HE LYS 14 -13.446 6.456 2.797
85 HZ1 LYS 14 3HZ LYS 14 -15.745 6.703 1.015
86 HZ2 LYS 14 1HZ LYS 14 -14.989 8.138 1.498
87 HZ3 LYS 14 2HZ LYS 14 -15.605 7.074 2.660
88 H CYS 15 H CYS 15 -8.244 4.881 2.054
89 HA CYS 15 HA CYS 15 -7.890 2.979 -0.044
90 HB2 CYS 15 1HB CYS 15 -6.679 2.965 2.168
91 HB3 CYS 15 2HB CYS 15 -8.176 2.409 2.909
92 H ASN 16 H ASN 16 -9.458 1.979 -1.102
93 HA ASN 16 HA ASN 16 -12.163 1.973 -0.159
94 HB2 ASN 16 1HB ASN 16 -10.785 0.845 -2.586
95 HB3 ASN 16 2HB ASN 16 -12.476 0.483 -2.248
96 HD21 ASN 16 1HD2 ASN 16 -10.332 3.315 -2.256
97 HD22 ASN 16 2HD2 ASN 16 -11.431 4.353 -3.092
98 H GLU 17 H GLU 17 -9.528 -0.326 -0.252
99 HA GLU 17 HA GLU 17 -10.781 -2.735 0.087
100 HB2 GLU 17 1HB GLU 17 -8.236 -1.641 1.248
101 HB3 GLU 17 2HB GLU 17 -8.770 -3.270 1.634
102 HG2 GLU 17 1HG GLU 17 -8.457 -2.321 -1.193
103 HG3 GLU 17 2HG GLU 17 -7.119 -3.006 -0.273
104 H CYS 18 H CYS 18 -9.874 -0.484 2.697
105 HA CYS 18 HA CYS 18 -11.784 -1.879 4.451
106 HB2 CYS 18 1HB CYS 18 -10.507 -0.902 6.333
107 HB3 CYS 18 2HB CYS 18 -9.511 -1.934 5.311
108 H GLY 19 H GLY 19 -10.598 1.334 3.517
109 HA2 GLY 19 1HA GLY 19 -12.305 3.019 2.995
110 HA3 GLY 19 2HA GLY 19 -13.205 2.422 4.382
111 H LYS 20 H LYS 20 -9.748 3.161 4.110
112 HA LYS 20 HA LYS 20 -10.059 5.013 6.368
113 HB2 LYS 20 1HB LYS 20 -7.869 3.235 5.424
114 HB3 LYS 20 2HB LYS 20 -7.404 4.739 6.208
115 HG2 LYS 20 1HG LYS 20 -8.502 4.139 8.217
116 HG3 LYS 20 2HG LYS 20 -9.315 2.776 7.444
117 HD2 LYS 20 1HD LYS 20 -7.331 1.529 7.309
118 HD3 LYS 20 2HD LYS 20 -6.319 2.947 7.598
119 HE2 LYS 20 1HE LYS 20 -7.018 3.055 9.886
120 HE3 LYS 20 2HE LYS 20 -8.230 1.801 9.628
121 HZ1 LYS 20 3HZ LYS 20 -6.685 0.166 9.679
122 HZ2 LYS 20 1HZ LYS 20 -5.866 1.284 10.650
123 HZ3 LYS 20 2HZ LYS 20 -5.458 1.124 9.016
124 H VAL 21 H VAL 21 -8.214 6.763 6.317
125 HA VAL 21 HA VAL 21 -7.864 7.850 3.623
126 HB VAL 21 HB VAL 21 -9.047 9.464 5.887
127 HG11 VAL 21 1HG1 VAL 21 -7.540 10.282 3.671
128 HG12 VAL 21 2HG1 VAL 21 -9.219 10.664 3.283
129 HG13 VAL 21 3HG1 VAL 21 -8.488 11.295 4.759
130 HG21 VAL 21 3HG2 VAL 21 -10.267 8.300 3.396
131 HG22 VAL 21 1HG2 VAL 21 -10.764 8.060 5.071
132 HG23 VAL 21 2HG2 VAL 21 -11.008 9.625 4.294
133 H PHE 22 H PHE 22 -5.972 8.905 3.340
134 HA PHE 22 HA PHE 22 -4.406 9.635 5.713
135 HB2 PHE 22 1HB PHE 22 -3.121 8.282 3.350
136 HB3 PHE 22 2HB PHE 22 -2.457 8.537 4.960
137 HD1 PHE 22 HD1 PHE 22 -4.756 6.520 2.940
138 HD2 PHE 22 HD2 PHE 22 -2.973 7.053 6.768
139 HE1 PHE 22 HE1 PHE 22 -5.513 4.274 3.601
140 HE2 PHE 22 HE2 PHE 22 -3.726 4.807 7.435
141 HZ PHE 22 HZ PHE 22 -4.997 3.414 5.850
142 H THR 23 H THR 23 -3.790 11.679 5.586
143 HA THR 23 HA THR 23 -4.243 13.377 3.453
144 HB THR 23 HB THR 23 -2.070 13.731 5.525
145 HG1 THR 23 HG1 THR 23 -3.947 15.026 6.466
146 HG21 THR 23 3HG2 THR 23 -3.622 16.022 4.502
147 HG22 THR 23 1HG2 THR 23 -2.515 15.274 3.351
148 HG23 THR 23 2HG2 THR 23 -1.905 15.896 4.884
149 H GLN 24 H GLN 24 -1.272 11.640 4.300
150 HA GLN 24 HA GLN 24 0.042 12.639 1.897
151 HB2 GLN 24 1HB GLN 24 1.023 10.948 4.198
152 HB3 GLN 24 2HB GLN 24 2.009 11.344 2.796
153 HG2 GLN 24 1HG GLN 24 1.431 13.796 3.393
154 HG3 GLN 24 2HG GLN 24 1.013 13.130 4.971
155 HE21 GLN 24 1HE2 GLN 24 2.583 13.071 6.401
156 HE22 GLN 24 2HE2 GLN 24 4.276 13.060 6.058
157 H ASN 25 H ASN 25 0.421 11.459 0.106
158 HA ASN 25 HA ASN 25 -1.111 9.225 -0.505
159 HB2 ASN 25 1HB ASN 25 0.350 8.970 -2.482
160 HB3 ASN 25 2HB ASN 25 -0.135 10.644 -2.232
161 HD21 ASN 25 1HD2 ASN 25 2.345 8.858 -3.178
162 HD22 ASN 25 2HD2 ASN 25 3.672 9.827 -2.642
163 H SER 26 H SER 26 2.340 9.369 0.357
164 HA SER 26 HA SER 26 3.059 6.751 0.158
165 HB2 SER 26 1HB SER 26 3.843 8.904 2.089
166 HB3 SER 26 2HB SER 26 4.466 7.270 2.317
167 HG SER 26 HG SER 26 5.206 9.152 0.521
168 H HIS 27 H HIS 27 1.338 8.255 2.866
169 HA HIS 27 HA HIS 27 1.257 6.074 4.590
170 HB2 HIS 27 1HB HIS 27 -0.616 8.392 4.168
171 HB3 HIS 27 2HB HIS 27 -0.941 7.162 5.386
172 HD2 HIS 27 HD2 HIS 27 2.189 6.938 6.508
173 HE1 HIS 27 HE1 HIS 27 1.626 11.049 7.389
174 HE2 HIS 27 HE2 HIS 27 3.058 9.015 7.781
175 H LEU 28 H LEU 28 -0.992 6.983 2.000
176 HA LEU 28 HA LEU 28 -2.787 4.832 2.428
177 HB2 LEU 28 1HB LEU 28 -3.621 6.688 1.254
178 HB3 LEU 28 2HB LEU 28 -2.273 6.678 0.119
179 HG LEU 28 HG LEU 28 -3.164 4.591 -0.864
180 HD11 LEU 28 1HD1 LEU 28 -5.360 3.801 -0.293
181 HD12 LEU 28 2HD1 LEU 28 -5.562 5.093 0.890
182 HD13 LEU 28 3HD1 LEU 28 -4.365 3.828 1.163
183 HD21 LEU 28 3HD2 LEU 28 -5.372 6.608 -0.883
184 HD22 LEU 28 1HD2 LEU 28 -4.707 5.660 -2.214
185 HD23 LEU 28 2HD2 LEU 28 -3.790 7.013 -1.552
186 H ALA 29 H ALA 29 -0.029 5.287 0.257
187 HA ALA 29 HA ALA 29 -0.294 2.893 -1.187
188 HB1 ALA 29 3HB ALA 29 2.419 3.381 -1.126
189 HB2 ALA 29 1HB ALA 29 1.269 4.030 -2.296
190 HB3 ALA 29 2HB ALA 29 1.708 4.975 -0.872
191 H ASN 30 H ASN 30 1.917 3.627 1.520
192 HA ASN 30 HA ASN 30 2.887 1.034 1.862
193 HB2 ASN 30 1HB ASN 30 2.716 3.450 3.618
194 HB3 ASN 30 2HB ASN 30 3.204 1.914 4.329
195 HD21 ASN 30 1HD2 ASN 30 5.038 3.699 4.555
196 HD22 ASN 30 2HD2 ASN 30 6.303 3.531 3.391
197 H HIS 31 H HIS 31 -0.063 2.533 2.965
198 HA HIS 31 HA HIS 31 -0.737 0.564 4.908
199 HB2 HIS 31 1HB HIS 31 -1.843 2.604 5.203
200 HB3 HIS 31 2HB HIS 31 -2.259 2.735 3.497
201 HD1 HIS 31 HD1 HIS 31 -3.159 0.540 6.471
202 HD2 HIS 31 HD2 HIS 31 -4.810 2.010 2.953
203 HE1 HIS 31 HE1 HIS 31 -5.558 -0.211 6.490
204 H GLN 32 H GLN 32 -2.047 1.198 1.649
205 HA GLN 32 HA GLN 32 -3.780 -0.839 1.321
206 HB2 GLN 32 1HB GLN 32 -1.786 0.329 -0.596
207 HB3 GLN 32 2HB GLN 32 -2.859 -0.968 -1.105
208 HG2 GLN 32 1HG GLN 32 -4.795 0.393 -0.545
209 HG3 GLN 32 2HG GLN 32 -3.734 1.689 0.005
210 HE21 GLN 32 1HE2 GLN 32 -5.751 1.220 -2.284
211 HE22 GLN 32 2HE2 GLN 32 -4.931 1.863 -3.662
212 H ARG 33 H ARG 33 -0.352 -1.137 1.678
213 HA ARG 33 HA ARG 33 0.221 -3.568 0.536
214 HB2 ARG 33 1HB ARG 33 1.210 -2.403 3.140
215 HB3 ARG 33 2HB ARG 33 1.899 -3.841 2.398
216 HG2 ARG 33 1HG ARG 33 2.277 -2.386 0.337
217 HG3 ARG 33 2HG ARG 33 1.949 -1.016 1.400
218 HD2 ARG 33 1HD ARG 33 4.336 -1.413 1.259
219 HD3 ARG 33 2HD ARG 33 3.757 -1.758 2.888
220 HE ARG 33 HE ARG 33 3.679 -4.182 1.777
221 HH11 ARG 33 1HH1 ARG 33 6.147 -1.727 1.742
222 HH12 ARG 33 2HH1 ARG 33 7.454 -2.858 1.625
223 HH21 ARG 33 1HH2 ARG 33 5.392 -5.681 1.624
224 HH22 ARG 33 2HH2 ARG 33 7.023 -5.107 1.557
225 H ILE 34 H ILE 34 -1.143 -2.984 3.765
226 HA ILE 34 HA ILE 34 -1.262 -5.595 4.679
227 HB ILE 34 HB ILE 34 -3.012 -4.901 6.185
228 HG12 ILE 34 1HG1 ILE 34 -3.263 -2.221 4.895
229 HG13 ILE 34 2HG1 ILE 34 -4.141 -3.571 4.184
230 HG21 ILE 34 1HG2 ILE 34 -1.863 -2.402 6.541
231 HG22 ILE 34 2HG2 ILE 34 -1.319 -3.922 7.247
232 HG23 ILE 34 3HG2 ILE 34 -0.612 -3.349 5.737
233 HD11 ILE 34 3HD1 ILE 34 -4.537 -2.198 6.777
234 HD12 ILE 34 1HD1 ILE 34 -5.720 -2.792 5.613
235 HD13 ILE 34 2HD1 ILE 34 -4.898 -3.922 6.689
236 H HIS 35 H HIS 35 -3.088 -4.082 2.188
237 HA HIS 35 HA HIS 35 -5.148 -6.147 2.216
238 HB2 HIS 35 1HB HIS 35 -4.783 -3.697 0.482
239 HB3 HIS 35 2HB HIS 35 -6.121 -4.831 0.326
240 HD1 HIS 35 HD1 HIS 35 -7.214 -5.193 3.011
241 HD2 HIS 35 HD2 HIS 35 -5.670 -1.529 1.805
242 HE1 HIS 35 HE1 HIS 35 -8.261 -3.488 4.534
243 H THR 36 H THR 36 -3.187 -4.702 -0.388
244 HA THR 36 HA THR 36 -3.433 -6.730 -2.229
245 HB THR 36 HB THR 36 -2.416 -4.688 -2.920
246 HG1 THR 36 HG1 THR 36 -0.180 -6.389 -3.024
247 HG21 THR 36 3HG2 THR 36 -1.029 -3.567 -1.587
248 HG22 THR 36 1HG2 THR 36 0.201 -4.807 -1.830
249 HG23 THR 36 2HG2 THR 36 -0.943 -4.949 -0.495
250 H GLY 37 H GLY 37 -2.716 -8.759 -2.403
251 HA2 GLY 37 1HA GLY 37 -1.008 -10.424 -2.241
252 HA3 GLY 37 2HA GLY 37 -0.353 -9.568 -0.853
253 H VAL 38 H VAL 38 -2.058 -12.238 -1.799
254 HA VAL 38 HA VAL 38 -3.656 -12.430 0.640
255 HB VAL 38 HB VAL 38 -4.744 -13.114 -1.428
256 HG11 VAL 38 1HG1 VAL 38 -3.254 -13.895 -2.952
257 HG12 VAL 38 2HG1 VAL 38 -2.276 -14.722 -1.738
258 HG13 VAL 38 3HG1 VAL 38 -3.784 -15.445 -2.300
259 HG21 VAL 38 3HG2 VAL 38 -4.924 -14.387 0.891
260 HG22 VAL 38 1HG2 VAL 38 -5.804 -14.927 -0.539
261 HG23 VAL 38 2HG2 VAL 38 -4.299 -15.723 -0.077
262 H LYS 39 H LYS 39 -3.344 -13.973 2.216
263 HA LYS 39 HA LYS 39 -2.093 -15.238 3.642
264 HB2 LYS 39 1HB LYS 39 -2.764 -16.896 1.877
265 HB3 LYS 39 2HB LYS 39 -1.202 -16.630 1.113
266 HG2 LYS 39 1HG LYS 39 -0.049 -17.508 3.019
267 HG3 LYS 39 2HG LYS 39 -1.554 -17.609 3.937
268 HD2 LYS 39 1HD LYS 39 -2.390 -19.189 2.149
269 HD3 LYS 39 2HD LYS 39 -0.736 -19.228 1.532
270 HE2 LYS 39 1HE LYS 39 0.073 -20.322 3.403
271 HE3 LYS 39 2HE LYS 39 -1.261 -19.783 4.422
272 HZ1 LYS 39 3HZ LYS 39 -1.021 -22.178 2.960
273 HZ2 LYS 39 1HZ LYS 39 -2.359 -21.318 2.384
274 HZ3 LYS 39 2HZ LYS 39 -2.247 -21.708 4.026
275 HA PRO 40 HA PRO 40 1.828 -12.936 2.356
276 HB2 PRO 40 1HB PRO 40 1.711 -11.014 4.270
277 HB3 PRO 40 2HB PRO 40 0.964 -10.832 2.678
278 HG2 PRO 40 1HG PRO 40 -0.293 -11.603 5.283
279 HG3 PRO 40 2HG PRO 40 -0.891 -10.492 4.038
280 HD2 PRO 40 1HD PRO 40 -1.792 -13.034 4.276
281 HD3 PRO 40 2HD PRO 40 -1.680 -12.203 2.711
282 H SER 41 H SER 41 0.423 -14.111 5.320
283 HA SER 41 HA SER 41 3.108 -14.447 6.478
284 HB2 SER 41 1HB SER 41 1.909 -14.762 8.644
285 HB3 SER 41 2HB SER 41 1.634 -13.177 7.924
286 HG SER 41 HG SER 41 -0.396 -13.667 8.126
287 H GLY 42 H GLY 42 3.724 -16.344 5.475
288 HA2 GLY 42 1HA GLY 42 1.970 -18.649 5.489
289 HA3 GLY 42 2HA GLY 42 3.606 -18.583 4.849
290 HA PRO 43 HA PRO 43 3.272 -20.416 9.296
291 HB2 PRO 43 1HB PRO 43 2.753 -23.028 8.768
292 HB3 PRO 43 2HB PRO 43 1.482 -21.840 9.079
293 HG2 PRO 43 1HG PRO 43 2.480 -22.906 6.466
294 HG3 PRO 43 2HG PRO 43 0.811 -22.614 6.991
295 HD2 PRO 43 1HD PRO 43 2.155 -20.899 5.382
296 HD3 PRO 43 2HD PRO 43 0.938 -20.354 6.554
297 H SER 44 H SER 44 4.647 -22.315 10.100
298 HA SER 44 HA SER 44 7.126 -22.324 8.547
299 HB2 SER 44 1HB SER 44 6.642 -23.201 11.405
300 HB3 SER 44 2HB SER 44 8.212 -23.040 10.618
301 HG SER 44 HG SER 44 8.107 -21.090 11.414
302 H SER 45 H SER 45 8.439 -24.372 8.652
303 HA SER 45 HA SER 45 6.671 -26.670 8.143
304 HB2 SER 45 1HB SER 45 9.207 -25.727 6.887
305 HB3 SER 45 2HB SER 45 8.914 -27.465 6.949
306 HG SER 45 HG SER 45 8.071 -26.054 5.090
307 H GLY 46 H GLY 46 9.915 -25.878 9.393
308 HA2 GLY 46 1HA GLY 46 9.929 -27.006 11.805
309 HA3 GLY 46 2HA GLY 46 10.026 -28.435 10.786
Start of MODEL 6
1 H1 GLY 1 H GLY 1 -21.296 -4.224 -4.825
2 HA2 GLY 1 1HA GLY 1 -23.727 -4.794 -6.405
3 HA3 GLY 1 2HA GLY 1 -23.491 -5.310 -4.742
4 H SER 2 H SER 2 -22.876 -3.292 -3.281
5 HA SER 2 HA SER 2 -24.881 -1.212 -3.869
6 HB2 SER 2 1HB SER 2 -25.420 -2.756 -1.948
7 HB3 SER 2 2HB SER 2 -24.003 -2.113 -1.118
8 HG SER 2 HG SER 2 -25.086 0.019 -1.582
9 H SER 3 H SER 3 -23.864 0.581 -4.479
10 HA SER 3 HA SER 3 -22.140 1.987 -2.744
11 HB2 SER 3 1HB SER 3 -20.636 0.128 -3.771
12 HB3 SER 3 2HB SER 3 -20.693 1.115 -5.232
13 HG SER 3 HG SER 3 -18.976 1.897 -4.168
14 H GLY 4 H GLY 4 -21.678 4.100 -3.481
15 HA2 GLY 4 1HA GLY 4 -23.393 4.918 -5.719
16 HA3 GLY 4 2HA GLY 4 -22.806 5.966 -4.437
17 H SER 5 H SER 5 -22.002 4.376 -7.446
18 HA SER 5 HA SER 5 -19.356 4.936 -7.787
19 HB2 SER 5 1HB SER 5 -21.663 4.918 -9.701
20 HB3 SER 5 2HB SER 5 -20.065 5.398 -10.271
21 HG SER 5 HG SER 5 -19.289 3.379 -9.470
22 H SER 6 H SER 6 -18.528 6.791 -6.959
23 HA SER 6 HA SER 6 -19.640 9.341 -7.910
24 HB2 SER 6 1HB SER 6 -18.153 8.529 -5.449
25 HB3 SER 6 2HB SER 6 -17.969 10.183 -6.031
26 HG SER 6 HG SER 6 -19.857 9.385 -4.525
27 H GLY 7 H GLY 7 -18.625 10.269 -9.552
28 HA2 GLY 7 1HA GLY 7 -16.429 9.493 -10.901
29 HA3 GLY 7 2HA GLY 7 -16.867 11.188 -10.751
30 H THR 8 H THR 8 -16.010 12.355 -8.861
31 HA THR 8 HA THR 8 -13.521 11.198 -7.813
32 HB THR 8 HB THR 8 -12.395 13.401 -8.104
33 HG1 THR 8 HG1 THR 8 -13.837 14.938 -8.486
34 HG21 THR 8 3HG2 THR 8 -11.663 12.933 -10.239
35 HG22 THR 8 1HG2 THR 8 -13.280 12.546 -10.825
36 HG23 THR 8 2HG2 THR 8 -12.414 11.398 -9.803
37 H GLY 9 H GLY 9 -14.059 11.006 -5.709
38 HA2 GLY 9 1HA GLY 9 -15.753 12.806 -4.316
39 HA3 GLY 9 2HA GLY 9 -14.728 11.579 -3.586
40 H GLU 10 H GLU 10 -15.195 14.153 -2.502
41 HA GLU 10 HA GLU 10 -12.870 15.775 -3.068
42 HB2 GLU 10 1HB GLU 10 -13.756 17.257 -1.312
43 HB3 GLU 10 2HB GLU 10 -14.967 16.880 -2.529
44 HG2 GLU 10 1HG GLU 10 -15.604 14.976 -0.835
45 HG3 GLU 10 2HG GLU 10 -14.814 16.049 0.320
46 H LYS 11 H LYS 11 -11.369 13.990 -2.532
47 HA LYS 11 HA LYS 11 -10.449 14.284 0.194
48 HB2 LYS 11 1HB LYS 11 -11.657 11.768 -0.836
49 HB3 LYS 11 2HB LYS 11 -10.211 11.621 0.155
50 HG2 LYS 11 1HG LYS 11 -12.712 13.079 0.983
51 HG3 LYS 11 2HG LYS 11 -12.310 11.421 1.438
52 HD2 LYS 11 1HD LYS 11 -10.215 12.283 2.474
53 HD3 LYS 11 2HD LYS 11 -10.774 13.922 2.136
54 HE2 LYS 11 1HE LYS 11 -12.600 12.088 3.600
55 HE3 LYS 11 2HE LYS 11 -11.212 12.744 4.467
56 HZ1 LYS 11 3HZ LYS 11 -12.618 14.739 2.971
57 HZ2 LYS 11 1HZ LYS 11 -12.171 14.731 4.602
58 HZ3 LYS 11 2HZ LYS 11 -13.608 13.984 4.116
59 HA PRO 12 HA PRO 12 -6.570 14.050 -1.872
60 HB2 PRO 12 1HB PRO 12 -4.977 13.496 0.255
61 HB3 PRO 12 2HB PRO 12 -5.690 15.089 -0.021
62 HG2 PRO 12 1HG PRO 12 -6.601 12.897 1.804
63 HG3 PRO 12 2HG PRO 12 -6.510 14.642 2.108
64 HD2 PRO 12 1HD PRO 12 -8.829 13.390 1.484
65 HD3 PRO 12 2HD PRO 12 -8.488 15.065 1.002
66 H TYR 13 H TYR 13 -7.018 11.499 0.587
67 HA TYR 13 HA TYR 13 -6.514 9.443 -1.374
68 HB2 TYR 13 1HB TYR 13 -4.643 9.638 0.989
69 HB3 TYR 13 2HB TYR 13 -4.568 8.490 -0.343
70 HD1 TYR 13 HD2 TYR 13 -3.775 9.200 -2.552
71 HD2 TYR 13 HD1 TYR 13 -3.804 11.884 0.748
72 HE1 TYR 13 HE2 TYR 13 -2.268 10.710 -3.775
73 HE2 TYR 13 HE1 TYR 13 -2.298 13.403 -0.466
74 HH TYR 13 HH TYR 13 -0.746 12.480 -3.417
75 H LYS 14 H LYS 14 -7.889 7.862 -0.943
76 HA LYS 14 HA LYS 14 -8.417 7.123 1.840
77 HB2 LYS 14 1HB LYS 14 -10.243 8.597 1.327
78 HB3 LYS 14 2HB LYS 14 -10.523 7.800 -0.215
79 HG2 LYS 14 1HG LYS 14 -10.965 5.698 1.228
80 HG3 LYS 14 2HG LYS 14 -11.170 6.856 2.544
81 HD2 LYS 14 1HD LYS 14 -13.009 7.874 1.513
82 HD3 LYS 14 2HD LYS 14 -12.625 7.177 -0.063
83 HE2 LYS 14 1HE LYS 14 -13.024 4.908 1.126
84 HE3 LYS 14 2HE LYS 14 -13.867 5.878 2.333
85 HZ1 LYS 14 3HZ LYS 14 -15.228 4.912 0.430
86 HZ2 LYS 14 1HZ LYS 14 -14.514 6.100 -0.541
87 HZ3 LYS 14 2HZ LYS 14 -15.455 6.549 0.790
88 H CYS 15 H CYS 15 -8.169 5.009 2.089
89 HA CYS 15 HA CYS 15 -7.769 3.267 -0.123
90 HB2 CYS 15 1HB CYS 15 -6.664 2.999 2.096
91 HB3 CYS 15 2HB CYS 15 -8.220 2.536 2.777
92 H ASN 16 H ASN 16 -9.203 2.146 -1.261
93 HA ASN 16 HA ASN 16 -11.995 2.189 -0.471
94 HB2 ASN 16 1HB ASN 16 -12.230 0.969 -2.741
95 HB3 ASN 16 2HB ASN 16 -11.740 2.661 -2.751
96 HD21 ASN 16 1HD2 ASN 16 -10.566 2.730 -4.572
97 HD22 ASN 16 2HD2 ASN 16 -9.142 1.795 -4.857
98 H GLU 17 H GLU 17 -9.350 -0.076 -0.703
99 HA GLU 17 HA GLU 17 -10.631 -2.509 -0.726
100 HB2 GLU 17 1HB GLU 17 -8.208 -1.800 0.937
101 HB3 GLU 17 2HB GLU 17 -8.683 -3.417 0.435
102 HG2 GLU 17 1HG GLU 17 -8.503 -2.454 -1.963
103 HG3 GLU 17 2HG GLU 17 -7.540 -1.193 -1.195
104 H CYS 18 H CYS 18 -9.926 -0.471 2.096
105 HA CYS 18 HA CYS 18 -11.826 -2.105 3.647
106 HB2 CYS 18 1HB CYS 18 -10.614 -1.301 5.666
107 HB3 CYS 18 2HB CYS 18 -9.604 -2.261 4.590
108 H GLY 19 H GLY 19 -10.605 1.203 3.184
109 HA2 GLY 19 1HA GLY 19 -12.357 2.907 2.764
110 HA3 GLY 19 2HA GLY 19 -13.243 2.179 4.096
111 H LYS 20 H LYS 20 -9.830 3.127 3.744
112 HA LYS 20 HA LYS 20 -10.123 4.704 6.211
113 HB2 LYS 20 1HB LYS 20 -7.886 3.102 5.057
114 HB3 LYS 20 2HB LYS 20 -7.484 4.505 6.038
115 HG2 LYS 20 1HG LYS 20 -9.003 3.517 7.813
116 HG3 LYS 20 2HG LYS 20 -8.989 2.039 6.849
117 HD2 LYS 20 1HD LYS 20 -7.230 1.596 8.234
118 HD3 LYS 20 2HD LYS 20 -6.371 2.442 6.944
119 HE2 LYS 20 1HE LYS 20 -7.498 4.003 9.225
120 HE3 LYS 20 2HE LYS 20 -6.001 3.100 9.454
121 HZ1 LYS 20 3HZ LYS 20 -5.816 4.508 7.044
122 HZ2 LYS 20 1HZ LYS 20 -4.913 4.729 8.458
123 HZ3 LYS 20 2HZ LYS 20 -6.350 5.591 8.229
124 H VAL 21 H VAL 21 -8.373 6.516 6.305
125 HA VAL 21 HA VAL 21 -8.091 7.843 3.707
126 HB VAL 21 HB VAL 21 -9.261 9.165 6.159
127 HG11 VAL 21 1HG1 VAL 21 -7.749 10.280 4.053
128 HG12 VAL 21 2HG1 VAL 21 -9.428 10.753 3.792
129 HG13 VAL 21 3HG1 VAL 21 -8.635 11.123 5.323
130 HG21 VAL 21 3HG2 VAL 21 -10.467 8.524 3.469
131 HG22 VAL 21 1HG2 VAL 21 -10.890 7.790 5.016
132 HG23 VAL 21 2HG2 VAL 21 -11.242 9.493 4.722
133 H PHE 22 H PHE 22 -6.221 8.945 3.460
134 HA PHE 22 HA PHE 22 -4.553 9.385 5.842
135 HB2 PHE 22 1HB PHE 22 -3.482 8.415 3.188
136 HB3 PHE 22 2HB PHE 22 -2.593 8.596 4.697
137 HD1 PHE 22 HD1 PHE 22 -5.247 6.651 3.016
138 HD2 PHE 22 HD2 PHE 22 -2.536 6.868 6.289
139 HE1 PHE 22 HE1 PHE 22 -5.754 4.312 3.587
140 HE2 PHE 22 HE2 PHE 22 -3.038 4.530 6.865
141 HZ PHE 22 HZ PHE 22 -4.648 3.248 5.513
142 H THR 23 H THR 23 -3.145 11.155 5.757
143 HA THR 23 HA THR 23 -4.072 13.343 4.173
144 HB THR 23 HB THR 23 -1.650 13.155 5.976
145 HG1 THR 23 HG1 THR 23 -3.171 14.427 7.344
146 HG21 THR 23 3HG2 THR 23 -2.314 15.761 5.975
147 HG22 THR 23 1HG2 THR 23 -2.781 15.337 4.329
148 HG23 THR 23 2HG2 THR 23 -1.125 15.068 4.873
149 H GLN 24 H GLN 24 -1.121 11.377 4.204
150 HA GLN 24 HA GLN 24 -0.286 12.670 1.701
151 HB2 GLN 24 1HB GLN 24 1.217 12.430 3.851
152 HB3 GLN 24 2HB GLN 24 1.484 10.807 3.229
153 HG2 GLN 24 1HG GLN 24 2.570 11.570 1.333
154 HG3 GLN 24 2HG GLN 24 1.872 13.184 1.463
155 HE21 GLN 24 1HE2 GLN 24 3.394 14.608 1.867
156 HE22 GLN 24 2HE2 GLN 24 4.718 14.408 2.959
157 H ASN 25 H ASN 25 0.489 11.364 -0.041
158 HA ASN 25 HA ASN 25 -1.152 9.162 -0.634
159 HB2 ASN 25 1HB ASN 25 -0.339 10.331 -2.497
160 HB3 ASN 25 2HB ASN 25 1.319 10.306 -1.906
161 HD21 ASN 25 1HD2 ASN 25 2.637 8.824 -2.697
162 HD22 ASN 25 2HD2 ASN 25 2.160 7.423 -3.589
163 H SER 26 H SER 26 2.333 9.278 0.107
164 HA SER 26 HA SER 26 2.959 6.621 -0.008
165 HB2 SER 26 1HB SER 26 4.738 7.074 1.612
166 HB3 SER 26 2HB SER 26 4.595 8.409 0.469
167 HG SER 26 HG SER 26 3.592 9.624 2.020
168 H HIS 27 H HIS 27 1.498 8.342 2.727
169 HA HIS 27 HA HIS 27 1.474 6.300 4.597
170 HB2 HIS 27 1HB HIS 27 -0.606 8.447 4.134
171 HB3 HIS 27 2HB HIS 27 -0.487 7.460 5.588
172 HD2 HIS 27 HD2 HIS 27 3.013 7.995 5.286
173 HE1 HIS 27 HE1 HIS 27 1.700 11.757 6.744
174 HE2 HIS 27 HE2 HIS 27 3.689 10.273 6.308
175 H LEU 28 H LEU 28 -0.913 7.022 2.072
176 HA LEU 28 HA LEU 28 -2.643 4.866 2.774
177 HB2 LEU 28 1HB LEU 28 -3.638 6.668 1.642
178 HB3 LEU 28 2HB LEU 28 -2.408 6.660 0.380
179 HG LEU 28 HG LEU 28 -3.332 4.634 -0.562
180 HD11 LEU 28 1HD1 LEU 28 -4.631 3.225 0.559
181 HD12 LEU 28 2HD1 LEU 28 -5.777 4.502 0.964
182 HD13 LEU 28 3HD1 LEU 28 -4.367 4.226 1.987
183 HD21 LEU 28 3HD2 LEU 28 -4.280 6.725 -1.328
184 HD22 LEU 28 1HD2 LEU 28 -5.436 6.720 0.004
185 HD23 LEU 28 2HD2 LEU 28 -5.537 5.489 -1.256
186 H ALA 29 H ALA 29 -0.291 5.353 0.148
187 HA ALA 29 HA ALA 29 -0.577 2.946 -1.174
188 HB1 ALA 29 3HB ALA 29 2.124 3.401 -1.338
189 HB2 ALA 29 1HB ALA 29 0.894 4.113 -2.383
190 HB3 ALA 29 2HB ALA 29 1.480 5.002 -0.976
191 H ASN 30 H ASN 30 1.713 3.673 1.464
192 HA ASN 30 HA ASN 30 2.787 1.107 1.702
193 HB2 ASN 30 1HB ASN 30 3.710 3.179 2.758
194 HB3 ASN 30 2HB ASN 30 2.406 3.106 3.941
195 HD21 ASN 30 1HD2 ASN 30 5.330 1.607 2.797
196 HD22 ASN 30 2HD2 ASN 30 5.613 0.632 4.195
197 H HIS 31 H HIS 31 -0.070 2.552 3.183
198 HA HIS 31 HA HIS 31 -0.672 0.543 5.025
199 HB2 HIS 31 1HB HIS 31 -1.940 2.474 5.292
200 HB3 HIS 31 2HB HIS 31 -2.309 2.592 3.574
201 HD1 HIS 31 HD1 HIS 31 -3.160 0.296 6.488
202 HD2 HIS 31 HD2 HIS 31 -4.807 1.756 2.964
203 HE1 HIS 31 HE1 HIS 31 -5.515 -0.586 6.430
204 H GLN 32 H GLN 32 -1.984 0.972 1.734
205 HA GLN 32 HA GLN 32 -3.600 -1.162 1.461
206 HB2 GLN 32 1HB GLN 32 -1.674 0.112 -0.432
207 HB3 GLN 32 2HB GLN 32 -2.498 -1.359 -0.934
208 HG2 GLN 32 1HG GLN 32 -4.640 -0.094 -0.180
209 HG3 GLN 32 2HG GLN 32 -3.627 1.338 -0.349
210 HE21 GLN 32 1HE2 GLN 32 -5.091 1.986 -2.019
211 HE22 GLN 32 2HE2 GLN 32 -4.933 1.337 -3.612
212 H ARG 33 H ARG 33 -0.160 -1.272 1.870
213 HA ARG 33 HA ARG 33 0.543 -3.728 0.868
214 HB2 ARG 33 1HB ARG 33 1.437 -2.439 3.452
215 HB3 ARG 33 2HB ARG 33 2.229 -3.822 2.709
216 HG2 ARG 33 1HG ARG 33 1.869 -1.210 1.274
217 HG3 ARG 33 2HG ARG 33 3.267 -1.556 2.294
218 HD2 ARG 33 1HD ARG 33 4.092 -2.234 0.278
219 HD3 ARG 33 2HD ARG 33 3.355 -3.743 0.814
220 HE ARG 33 HE ARG 33 1.648 -2.024 -0.769
221 HH11 ARG 33 1HH1 ARG 33 3.909 -4.672 -0.749
222 HH12 ARG 33 2HH1 ARG 33 3.371 -5.314 -2.265
223 HH21 ARG 33 1HH2 ARG 33 0.930 -2.861 -2.766
224 HH22 ARG 33 2HH2 ARG 33 1.677 -4.283 -3.412
225 H ILE 34 H ILE 34 -0.979 -3.035 3.995
226 HA ILE 34 HA ILE 34 -0.955 -5.571 5.101
227 HB ILE 34 HB ILE 34 -2.837 -4.909 6.457
228 HG12 ILE 34 1HG1 ILE 34 -3.205 -2.358 4.949
229 HG13 ILE 34 2HG1 ILE 34 -3.947 -3.820 4.309
230 HG21 ILE 34 1HG2 ILE 34 -1.990 -2.428 6.933
231 HG22 ILE 34 2HG2 ILE 34 -1.056 -3.853 7.385
232 HG23 ILE 34 3HG2 ILE 34 -0.664 -2.975 5.907
233 HD11 ILE 34 3HD1 ILE 34 -5.116 -4.135 6.442
234 HD12 ILE 34 1HD1 ILE 34 -4.403 -2.636 7.037
235 HD13 ILE 34 2HD1 ILE 34 -5.519 -2.601 5.671
236 H HIS 35 H HIS 35 -2.844 -4.341 2.473
237 HA HIS 35 HA HIS 35 -4.799 -6.462 2.553
238 HB2 HIS 35 1HB HIS 35 -4.213 -4.334 0.487
239 HB3 HIS 35 2HB HIS 35 -5.536 -5.490 0.365
240 HD1 HIS 35 HD1 HIS 35 -7.660 -4.934 1.583
241 HD2 HIS 35 HD2 HIS 35 -4.497 -2.472 2.679
242 HE1 HIS 35 HE1 HIS 35 -8.674 -3.136 3.019
243 H THR 36 H THR 36 -2.328 -5.495 0.166
244 HA THR 36 HA THR 36 -2.461 -7.747 -1.443
245 HB THR 36 HB THR 36 -0.136 -7.216 -2.140
246 HG1 THR 36 HG1 THR 36 0.216 -6.335 0.201
247 HG21 THR 36 3HG2 THR 36 -2.404 -5.778 -2.594
248 HG22 THR 36 1HG2 THR 36 -0.863 -5.496 -3.401
249 HG23 THR 36 2HG2 THR 36 -1.313 -4.529 -1.997
250 H GLY 37 H GLY 37 -1.562 -9.757 -1.421
251 HA2 GLY 37 1HA GLY 37 0.142 -10.449 0.886
252 HA3 GLY 37 2HA GLY 37 -1.245 -11.442 0.465
253 H VAL 38 H VAL 38 1.883 -10.282 -0.692
254 HA VAL 38 HA VAL 38 2.202 -12.808 -2.143
255 HB VAL 38 HB VAL 38 1.511 -11.229 -3.849
256 HG11 VAL 38 1HG1 VAL 38 1.968 -9.068 -3.613
257 HG12 VAL 38 2HG1 VAL 38 3.134 -9.412 -2.333
258 HG13 VAL 38 3HG1 VAL 38 3.647 -9.418 -4.021
259 HG21 VAL 38 3HG2 VAL 38 4.471 -11.454 -4.219
260 HG22 VAL 38 1HG2 VAL 38 3.467 -12.903 -4.154
261 HG23 VAL 38 2HG2 VAL 38 3.177 -11.684 -5.395
262 H LYS 39 H LYS 39 4.116 -13.728 -1.779
263 HA LYS 39 HA LYS 39 6.236 -14.074 -1.031
264 HB2 LYS 39 1HB LYS 39 6.463 -11.219 -1.967
265 HB3 LYS 39 2HB LYS 39 7.836 -12.098 -1.309
266 HG2 LYS 39 1HG LYS 39 6.224 -13.072 -3.653
267 HG3 LYS 39 2HG LYS 39 7.667 -12.066 -3.809
268 HD2 LYS 39 1HD LYS 39 9.055 -13.740 -2.895
269 HD3 LYS 39 2HD LYS 39 7.677 -14.661 -2.287
270 HE2 LYS 39 1HE LYS 39 6.990 -15.124 -4.601
271 HE3 LYS 39 2HE LYS 39 8.391 -14.230 -5.188
272 HZ1 LYS 39 3HZ LYS 39 8.226 -16.919 -4.234
273 HZ2 LYS 39 1HZ LYS 39 9.433 -16.043 -3.435
274 HZ3 LYS 39 2HZ LYS 39 9.453 -16.166 -5.122
275 HA PRO 40 HA PRO 40 5.036 -11.820 2.946
276 HB2 PRO 40 1HB PRO 40 4.120 -13.997 4.285
277 HB3 PRO 40 2HB PRO 40 3.081 -12.980 3.280
278 HG2 PRO 40 1HG PRO 40 4.371 -15.601 2.626
279 HG3 PRO 40 2HG PRO 40 2.725 -15.045 2.272
280 HD2 PRO 40 1HD PRO 40 4.698 -15.028 0.418
281 HD3 PRO 40 2HD PRO 40 3.397 -13.820 0.439
282 H SER 41 H SER 41 7.208 -14.009 1.788
283 HA SER 41 HA SER 41 8.351 -15.171 4.062
284 HB2 SER 41 1HB SER 41 10.400 -15.394 2.677
285 HB3 SER 41 2HB SER 41 8.948 -15.902 1.816
286 HG SER 41 HG SER 41 10.182 -14.587 0.478
287 H GLY 42 H GLY 42 9.029 -12.072 2.470
288 HA2 GLY 42 1HA GLY 42 9.836 -10.116 3.410
289 HA3 GLY 42 2HA GLY 42 9.921 -10.937 4.961
290 HA PRO 43 HA PRO 43 14.225 -10.234 3.257
291 HB2 PRO 43 1HB PRO 43 15.150 -8.853 5.404
292 HB3 PRO 43 2HB PRO 43 14.349 -8.075 4.034
293 HG2 PRO 43 1HG PRO 43 13.226 -8.833 6.704
294 HG3 PRO 43 2HG PRO 43 12.984 -7.345 5.770
295 HD2 PRO 43 1HD PRO 43 11.158 -9.343 5.826
296 HD3 PRO 43 2HD PRO 43 11.402 -8.312 4.401
297 H SER 44 H SER 44 12.897 -11.290 6.320
298 HA SER 44 HA SER 44 15.339 -12.678 7.066
299 HB2 SER 44 1HB SER 44 12.691 -12.193 8.387
300 HB3 SER 44 2HB SER 44 13.734 -13.488 8.975
301 HG SER 44 HG SER 44 14.269 -11.659 10.102
302 H SER 45 H SER 45 15.754 -14.760 6.691
303 HA SER 45 HA SER 45 15.548 -16.775 5.603
304 HB2 SER 45 1HB SER 45 13.365 -16.669 7.658
305 HB3 SER 45 2HB SER 45 13.528 -18.090 6.626
306 HG SER 45 HG SER 45 15.910 -17.764 7.388
307 H GLY 46 H GLY 46 14.540 -14.742 3.989
308 HA2 GLY 46 1HA GLY 46 12.453 -16.228 2.546
309 HA3 GLY 46 2HA GLY 46 12.201 -14.524 2.893
Start of MODEL 7
1 H1 GLY 1 H GLY 1 -21.757 3.678 -12.597
2 HA2 GLY 1 1HA GLY 1 -23.018 1.429 -12.925
3 HA3 GLY 1 2HA GLY 1 -23.044 1.456 -11.168
4 H SER 2 H SER 2 -25.350 1.442 -11.282
5 HA SER 2 HA SER 2 -27.057 3.070 -12.603
6 HB2 SER 2 1HB SER 2 -27.468 1.314 -10.687
7 HB3 SER 2 2HB SER 2 -27.507 2.745 -9.658
8 HG SER 2 HG SER 2 -29.581 2.361 -10.356
9 H SER 3 H SER 3 -27.319 5.183 -12.838
10 HA SER 3 HA SER 3 -25.771 7.186 -11.981
11 HB2 SER 3 1HB SER 3 -27.550 8.738 -12.422
12 HB3 SER 3 2HB SER 3 -27.748 7.384 -13.534
13 HG SER 3 HG SER 3 -29.256 6.538 -11.901
14 H GLY 4 H GLY 4 -28.547 5.927 -10.162
15 HA2 GLY 4 1HA GLY 4 -29.241 6.330 -7.998
16 HA3 GLY 4 2HA GLY 4 -27.535 6.101 -7.644
17 H SER 5 H SER 5 -27.208 7.598 -6.088
18 HA SER 5 HA SER 5 -28.188 10.316 -6.470
19 HB2 SER 5 1HB SER 5 -27.363 10.696 -4.171
20 HB3 SER 5 2HB SER 5 -28.449 9.309 -4.254
21 HG SER 5 HG SER 5 -26.788 8.503 -3.153
22 H SER 6 H SER 6 -26.997 11.651 -7.649
23 HA SER 6 HA SER 6 -24.208 11.232 -8.123
24 HB2 SER 6 1HB SER 6 -25.544 12.200 -9.883
25 HB3 SER 6 2HB SER 6 -26.053 13.522 -8.834
26 HG SER 6 HG SER 6 -23.343 13.042 -9.498
27 H GLY 7 H GLY 7 -22.689 11.677 -6.675
28 HA2 GLY 7 1HA GLY 7 -22.901 14.205 -5.173
29 HA3 GLY 7 2HA GLY 7 -22.508 12.710 -4.336
30 H THR 8 H THR 8 -21.115 15.406 -5.194
31 HA THR 8 HA THR 8 -18.723 14.304 -6.447
32 HB THR 8 HB THR 8 -19.307 17.162 -5.648
33 HG1 THR 8 HG1 THR 8 -19.280 16.282 -8.313
34 HG21 THR 8 3HG2 THR 8 -17.094 17.370 -5.986
35 HG22 THR 8 1HG2 THR 8 -17.494 17.216 -7.697
36 HG23 THR 8 2HG2 THR 8 -16.973 15.801 -6.782
37 H GLY 9 H GLY 9 -16.713 14.226 -5.487
38 HA2 GLY 9 1HA GLY 9 -15.991 15.403 -3.052
39 HA3 GLY 9 2HA GLY 9 -16.615 13.797 -2.704
40 H GLU 10 H GLU 10 -14.208 15.531 -4.643
41 HA GLU 10 HA GLU 10 -12.724 13.165 -5.266
42 HB2 GLU 10 1HB GLU 10 -12.772 15.318 -6.618
43 HB3 GLU 10 2HB GLU 10 -11.712 16.003 -5.393
44 HG2 GLU 10 1HG GLU 10 -11.037 13.496 -6.898
45 HG3 GLU 10 2HG GLU 10 -10.606 15.105 -7.476
46 H LYS 11 H LYS 11 -12.003 12.085 -3.502
47 HA LYS 11 HA LYS 11 -10.779 13.465 -1.281
48 HB2 LYS 11 1HB LYS 11 -11.324 10.582 -1.932
49 HB3 LYS 11 2HB LYS 11 -10.284 11.017 -0.582
50 HG2 LYS 11 1HG LYS 11 -12.951 12.307 -0.757
51 HG3 LYS 11 2HG LYS 11 -12.870 10.611 -0.275
52 HD2 LYS 11 1HD LYS 11 -11.562 11.101 1.617
53 HD3 LYS 11 2HD LYS 11 -11.163 12.715 1.025
54 HE2 LYS 11 1HE LYS 11 -12.765 13.249 2.563
55 HE3 LYS 11 2HE LYS 11 -13.781 13.025 1.140
56 HZ1 LYS 11 3HZ LYS 11 -14.155 11.797 3.505
57 HZ2 LYS 11 1HZ LYS 11 -13.308 10.612 2.644
58 HZ3 LYS 11 2HZ LYS 11 -14.753 11.236 2.025
59 HA PRO 12 HA PRO 12 -6.617 13.393 -2.701
60 HB2 PRO 12 1HB PRO 12 -5.320 13.351 -0.316
61 HB3 PRO 12 2HB PRO 12 -6.142 14.787 -0.938
62 HG2 PRO 12 1HG PRO 12 -7.092 12.784 1.073
63 HG3 PRO 12 2HG PRO 12 -7.228 14.552 1.105
64 HD2 PRO 12 1HD PRO 12 -9.283 12.944 0.380
65 HD3 PRO 12 2HD PRO 12 -9.046 14.562 -0.312
66 H TYR 13 H TYR 13 -7.173 11.184 0.051
67 HA TYR 13 HA TYR 13 -6.138 8.957 -1.474
68 HB2 TYR 13 1HB TYR 13 -4.762 9.618 1.125
69 HB3 TYR 13 2HB TYR 13 -4.294 8.425 -0.082
70 HD1 TYR 13 HD2 TYR 13 -3.325 9.180 -2.247
71 HD2 TYR 13 HD1 TYR 13 -4.079 11.891 0.944
72 HE1 TYR 13 HE2 TYR 13 -1.832 10.826 -3.300
73 HE2 TYR 13 HE1 TYR 13 -2.588 13.545 -0.100
74 HH TYR 13 HH TYR 13 -1.313 14.028 -1.852
75 H LYS 14 H LYS 14 -7.674 7.501 -1.128
76 HA LYS 14 HA LYS 14 -8.477 6.944 1.641
77 HB2 LYS 14 1HB LYS 14 -10.256 8.289 0.641
78 HB3 LYS 14 2HB LYS 14 -10.351 7.180 -0.721
79 HG2 LYS 14 1HG LYS 14 -11.175 5.426 0.684
80 HG3 LYS 14 2HG LYS 14 -10.908 6.399 2.132
81 HD2 LYS 14 1HD LYS 14 -12.597 7.977 1.434
82 HD3 LYS 14 2HD LYS 14 -12.800 7.131 -0.102
83 HE2 LYS 14 1HE LYS 14 -13.278 5.830 2.570
84 HE3 LYS 14 2HE LYS 14 -14.543 6.663 1.668
85 HZ1 LYS 14 3HZ LYS 14 -14.070 4.082 1.408
86 HZ2 LYS 14 1HZ LYS 14 -13.009 4.654 0.221
87 HZ3 LYS 14 2HZ LYS 14 -14.656 5.028 0.134
88 H CYS 15 H CYS 15 -8.401 4.849 2.155
89 HA CYS 15 HA CYS 15 -7.593 2.938 0.155
90 HB2 CYS 15 1HB CYS 15 -6.670 2.999 2.493
91 HB3 CYS 15 2HB CYS 15 -8.236 2.434 3.065
92 H ASN 16 H ASN 16 -9.676 3.257 -1.047
93 HA ASN 16 HA ASN 16 -12.196 2.691 -0.359
94 HB2 ASN 16 1HB ASN 16 -10.608 1.936 -2.772
95 HB3 ASN 16 2HB ASN 16 -12.231 1.274 -2.604
96 HD21 ASN 16 1HD2 ASN 16 -13.241 2.390 -4.176
97 HD22 ASN 16 2HD2 ASN 16 -13.419 4.108 -4.190
98 H GLU 17 H GLU 17 -9.617 0.307 -0.628
99 HA GLU 17 HA GLU 17 -10.918 -2.073 -0.543
100 HB2 GLU 17 1HB GLU 17 -8.385 -1.102 0.675
101 HB3 GLU 17 2HB GLU 17 -8.990 -2.663 1.211
102 HG2 GLU 17 1HG GLU 17 -7.345 -2.726 -0.675
103 HG3 GLU 17 2HG GLU 17 -8.865 -3.568 -0.965
104 H CYS 18 H CYS 18 -10.004 -0.251 2.388
105 HA CYS 18 HA CYS 18 -12.097 -1.707 3.851
106 HB2 CYS 18 1HB CYS 18 -10.900 -1.019 5.892
107 HB3 CYS 18 2HB CYS 18 -9.857 -1.924 4.800
108 H GLY 19 H GLY 19 -10.793 1.537 3.272
109 HA2 GLY 19 1HA GLY 19 -12.519 3.269 2.856
110 HA3 GLY 19 2HA GLY 19 -13.356 2.628 4.262
111 H LYS 20 H LYS 20 -9.880 3.101 4.034
112 HA LYS 20 HA LYS 20 -10.045 4.946 6.300
113 HB2 LYS 20 1HB LYS 20 -7.886 3.201 5.173
114 HB3 LYS 20 2HB LYS 20 -7.456 4.571 6.188
115 HG2 LYS 20 1HG LYS 20 -9.088 3.605 7.891
116 HG3 LYS 20 2HG LYS 20 -9.049 2.137 6.912
117 HD2 LYS 20 1HD LYS 20 -6.479 2.351 7.120
118 HD3 LYS 20 2HD LYS 20 -6.839 3.431 8.468
119 HE2 LYS 20 1HE LYS 20 -7.769 0.575 8.183
120 HE3 LYS 20 2HE LYS 20 -6.471 1.140 9.234
121 HZ1 LYS 20 3HZ LYS 20 -8.902 2.576 9.663
122 HZ2 LYS 20 1HZ LYS 20 -7.927 1.754 10.775
123 HZ3 LYS 20 2HZ LYS 20 -9.108 0.914 9.904
124 H VAL 21 H VAL 21 -8.332 6.716 6.308
125 HA VAL 21 HA VAL 21 -7.852 7.828 3.641
126 HB VAL 21 HB VAL 21 -9.155 9.378 5.884
127 HG11 VAL 21 1HG1 VAL 21 -8.746 11.297 4.786
128 HG12 VAL 21 2HG1 VAL 21 -7.429 10.381 4.049
129 HG13 VAL 21 3HG1 VAL 21 -8.966 10.557 3.200
130 HG21 VAL 21 3HG2 VAL 21 -10.585 7.751 4.553
131 HG22 VAL 21 1HG2 VAL 21 -11.123 9.430 4.588
132 HG23 VAL 21 2HG2 VAL 21 -10.298 8.798 3.163
133 H PHE 22 H PHE 22 -5.969 8.933 3.449
134 HA PHE 22 HA PHE 22 -4.483 9.590 5.893
135 HB2 PHE 22 1HB PHE 22 -3.142 8.308 3.517
136 HB3 PHE 22 2HB PHE 22 -2.486 8.559 5.131
137 HD1 PHE 22 HD1 PHE 22 -4.792 6.544 3.104
138 HD2 PHE 22 HD2 PHE 22 -2.940 7.030 6.905
139 HE1 PHE 22 HE1 PHE 22 -5.514 4.280 3.742
140 HE2 PHE 22 HE2 PHE 22 -3.659 4.767 7.549
141 HZ PHE 22 HZ PHE 22 -4.947 3.388 5.966
142 H THR 23 H THR 23 -3.480 11.513 5.840
143 HA THR 23 HA THR 23 -4.026 13.368 3.806
144 HB THR 23 HB THR 23 -1.784 13.586 5.819
145 HG1 THR 23 HG1 THR 23 -3.462 13.331 7.142
146 HG21 THR 23 3HG2 THR 23 -2.793 15.326 3.797
147 HG22 THR 23 1HG2 THR 23 -1.498 15.619 4.956
148 HG23 THR 23 2HG2 THR 23 -3.163 16.020 5.375
149 H GLN 24 H GLN 24 -1.114 11.480 4.520
150 HA GLN 24 HA GLN 24 0.233 12.571 2.181
151 HB2 GLN 24 1HB GLN 24 1.429 12.211 4.359
152 HB3 GLN 24 2HB GLN 24 1.233 10.480 4.117
153 HG2 GLN 24 1HG GLN 24 3.460 11.405 3.467
154 HG3 GLN 24 2HG GLN 24 2.627 10.496 2.207
155 HE21 GLN 24 1HE2 GLN 24 3.925 11.550 0.654
156 HE22 GLN 24 2HE2 GLN 24 3.588 13.171 0.162
157 H ASN 25 H ASN 25 0.488 11.535 0.290
158 HA ASN 25 HA ASN 25 -1.146 9.384 -0.416
159 HB2 ASN 25 1HB ASN 25 -0.123 9.462 -2.539
160 HB3 ASN 25 2HB ASN 25 -0.015 11.113 -1.937
161 HD21 ASN 25 1HD2 ASN 25 1.709 8.287 -2.858
162 HD22 ASN 25 2HD2 ASN 25 3.300 8.946 -2.716
163 H SER 26 H SER 26 2.258 9.474 0.528
164 HA SER 26 HA SER 26 2.927 6.823 -0.034
165 HB2 SER 26 1HB SER 26 3.980 8.884 1.866
166 HB3 SER 26 2HB SER 26 4.563 7.224 1.994
167 HG SER 26 HG SER 26 5.915 8.096 0.553
168 H HIS 27 H HIS 27 1.353 8.252 2.773
169 HA HIS 27 HA HIS 27 1.458 6.044 4.490
170 HB2 HIS 27 1HB HIS 27 -0.582 8.261 4.260
171 HB3 HIS 27 2HB HIS 27 -0.560 7.087 5.572
172 HD2 HIS 27 HD2 HIS 27 2.965 7.508 5.480
173 HE1 HIS 27 HE1 HIS 27 1.733 11.104 7.364
174 HE2 HIS 27 HE2 HIS 27 3.681 9.604 6.816
175 H LEU 28 H LEU 28 -0.978 6.982 2.087
176 HA LEU 28 HA LEU 28 -2.764 4.862 2.605
177 HB2 LEU 28 1HB LEU 28 -3.608 6.707 1.421
178 HB3 LEU 28 2HB LEU 28 -2.307 6.644 0.234
179 HG LEU 28 HG LEU 28 -3.265 4.635 -0.743
180 HD11 LEU 28 1HD1 LEU 28 -4.217 3.663 1.282
181 HD12 LEU 28 2HD1 LEU 28 -5.423 3.777 0.001
182 HD13 LEU 28 3HD1 LEU 28 -5.435 4.938 1.329
183 HD21 LEU 28 3HD2 LEU 28 -5.369 6.766 -0.385
184 HD22 LEU 28 1HD2 LEU 28 -5.242 5.615 -1.715
185 HD23 LEU 28 2HD2 LEU 28 -4.013 6.863 -1.510
186 H ALA 29 H ALA 29 -0.218 5.243 0.152
187 HA ALA 29 HA ALA 29 -0.568 2.759 -1.101
188 HB1 ALA 29 3HB ALA 29 0.714 4.372 -2.241
189 HB2 ALA 29 1HB ALA 29 1.809 4.584 -0.875
190 HB3 ALA 29 2HB ALA 29 1.846 3.090 -1.811
191 H ASN 30 H ASN 30 1.678 3.723 1.489
192 HA ASN 30 HA ASN 30 2.812 1.151 1.821
193 HB2 ASN 30 1HB ASN 30 3.791 3.364 2.593
194 HB3 ASN 30 2HB ASN 30 2.656 3.298 3.939
195 HD21 ASN 30 1HD2 ASN 30 5.140 1.359 2.325
196 HD22 ASN 30 2HD2 ASN 30 5.765 0.644 3.769
197 H HIS 31 H HIS 31 -0.246 2.280 2.528
198 HA HIS 31 HA HIS 31 -0.628 0.513 4.828
199 HB2 HIS 31 1HB HIS 31 -1.665 2.563 5.253
200 HB3 HIS 31 2HB HIS 31 -2.250 2.721 3.599
201 HD1 HIS 31 HD1 HIS 31 -2.917 0.641 6.702
202 HD2 HIS 31 HD2 HIS 31 -4.823 1.914 3.237
203 HE1 HIS 31 HE1 HIS 31 -5.308 -0.102 6.938
204 H GLN 32 H GLN 32 -2.203 1.171 1.695
205 HA GLN 32 HA GLN 32 -3.995 -0.878 1.586
206 HB2 GLN 32 1HB GLN 32 -2.289 0.316 -0.590
207 HB3 GLN 32 2HB GLN 32 -3.513 -0.899 -0.931
208 HG2 GLN 32 1HG GLN 32 -5.260 0.516 -0.254
209 HG3 GLN 32 2HG GLN 32 -4.152 1.641 0.529
210 HE21 GLN 32 1HE2 GLN 32 -6.177 2.122 -1.515
211 HE22 GLN 32 2HE2 GLN 32 -5.347 2.834 -2.852
212 H ARG 33 H ARG 33 -0.571 -1.130 1.581
213 HA ARG 33 HA ARG 33 -0.085 -3.493 0.241
214 HB2 ARG 33 1HB ARG 33 1.921 -3.672 1.482
215 HB3 ARG 33 2HB ARG 33 1.594 -1.949 1.355
216 HG2 ARG 33 1HG ARG 33 0.974 -1.775 3.593
217 HG3 ARG 33 2HG ARG 33 0.718 -3.514 3.751
218 HD2 ARG 33 1HD ARG 33 3.184 -3.807 3.365
219 HD3 ARG 33 2HD ARG 33 3.339 -2.055 3.489
220 HE ARG 33 HE ARG 33 2.078 -2.653 5.772
221 HH11 ARG 33 1HH1 ARG 33 4.873 -4.054 4.240
222 HH12 ARG 33 2HH1 ARG 33 5.617 -4.526 5.732
223 HH21 ARG 33 1HH2 ARG 33 3.047 -3.269 7.743
224 HH22 ARG 33 2HH2 ARG 33 4.577 -4.080 7.724
225 H ILE 34 H ILE 34 -1.465 -3.002 3.430
226 HA ILE 34 HA ILE 34 -1.315 -5.682 4.315
227 HB ILE 34 HB ILE 34 -2.902 -5.078 6.019
228 HG12 ILE 34 1HG1 ILE 34 -3.337 -2.360 4.859
229 HG13 ILE 34 2HG1 ILE 34 -4.266 -3.707 4.208
230 HG21 ILE 34 1HG2 ILE 34 -1.001 -2.827 5.386
231 HG22 ILE 34 2HG2 ILE 34 -1.819 -3.040 6.932
232 HG23 ILE 34 3HG2 ILE 34 -0.672 -4.254 6.369
233 HD11 ILE 34 3HD1 ILE 34 -4.419 -2.389 6.846
234 HD12 ILE 34 1HD1 ILE 34 -5.697 -3.046 5.824
235 HD13 ILE 34 2HD1 ILE 34 -4.701 -4.129 6.796
236 H HIS 35 H HIS 35 -3.444 -4.042 2.143
237 HA HIS 35 HA HIS 35 -5.419 -6.190 2.237
238 HB2 HIS 35 1HB HIS 35 -5.378 -3.616 0.647
239 HB3 HIS 35 2HB HIS 35 -6.707 -4.772 0.672
240 HD1 HIS 35 HD1 HIS 35 -7.982 -5.018 2.996
241 HD2 HIS 35 HD2 HIS 35 -5.370 -1.801 2.704
242 HE1 HIS 35 HE1 HIS 35 -8.597 -3.479 4.887
243 H THR 36 H THR 36 -3.196 -4.654 -0.062
244 HA THR 36 HA THR 36 -3.686 -5.916 -2.391
245 HB THR 36 HB THR 36 -1.321 -5.806 -2.943
246 HG1 THR 36 HG1 THR 36 -0.287 -6.569 -1.151
247 HG21 THR 36 3HG2 THR 36 -1.010 -3.400 -1.631
248 HG22 THR 36 1HG2 THR 36 -2.760 -3.614 -1.669
249 HG23 THR 36 2HG2 THR 36 -1.836 -3.638 -3.171
250 H GLY 37 H GLY 37 -4.291 -7.974 -2.669
251 HA2 GLY 37 1HA GLY 37 -2.406 -10.083 -2.198
252 HA3 GLY 37 2HA GLY 37 -3.777 -10.162 -1.102
253 H VAL 38 H VAL 38 -3.357 -12.260 -2.742
254 HA VAL 38 HA VAL 38 -5.210 -11.922 -4.996
255 HB VAL 38 HB VAL 38 -4.367 -14.053 -5.833
256 HG11 VAL 38 1HG1 VAL 38 -2.755 -11.686 -5.435
257 HG12 VAL 38 2HG1 VAL 38 -1.756 -13.130 -5.609
258 HG13 VAL 38 3HG1 VAL 38 -2.923 -12.708 -6.862
259 HG21 VAL 38 3HG2 VAL 38 -3.713 -15.472 -4.206
260 HG22 VAL 38 1HG2 VAL 38 -2.136 -14.728 -4.471
261 HG23 VAL 38 2HG2 VAL 38 -3.162 -14.173 -3.148
262 H LYS 39 H LYS 39 -7.202 -12.724 -4.905
263 HA LYS 39 HA LYS 39 -9.078 -13.735 -4.101
264 HB2 LYS 39 1HB LYS 39 -6.960 -15.821 -3.968
265 HB3 LYS 39 2HB LYS 39 -8.486 -16.164 -3.165
266 HG2 LYS 39 1HG LYS 39 -8.572 -15.156 -5.956
267 HG3 LYS 39 2HG LYS 39 -8.060 -16.823 -5.680
268 HD2 LYS 39 1HD LYS 39 -10.353 -17.035 -5.956
269 HD3 LYS 39 2HD LYS 39 -10.182 -16.971 -4.200
270 HE2 LYS 39 1HE LYS 39 -10.579 -14.422 -5.684
271 HE3 LYS 39 2HE LYS 39 -11.963 -15.493 -5.475
272 HZ1 LYS 39 3HZ LYS 39 -10.375 -14.973 -3.096
273 HZ2 LYS 39 1HZ LYS 39 -12.054 -15.094 -3.275
274 HZ3 LYS 39 2HZ LYS 39 -11.259 -13.661 -3.694
275 HA PRO 40 HA PRO 40 -7.742 -12.735 0.320
276 HB2 PRO 40 1HB PRO 40 -8.994 -10.333 0.496
277 HB3 PRO 40 2HB PRO 40 -7.329 -10.509 -0.071
278 HG2 PRO 40 1HG PRO 40 -9.847 -10.186 -1.658
279 HG3 PRO 40 2HG PRO 40 -8.267 -9.418 -1.898
280 HD2 PRO 40 1HD PRO 40 -9.093 -11.542 -3.361
281 HD3 PRO 40 2HD PRO 40 -7.387 -11.270 -2.951
282 H SER 41 H SER 41 -9.013 -13.949 1.573
283 HA SER 41 HA SER 41 -11.930 -13.722 1.287
284 HB2 SER 41 1HB SER 41 -12.077 -15.901 2.347
285 HB3 SER 41 2HB SER 41 -10.926 -15.987 1.013
286 HG SER 41 HG SER 41 -10.471 -16.745 3.423
287 H GLY 42 H GLY 42 -10.571 -11.677 2.642
288 HA2 GLY 42 1HA GLY 42 -10.361 -10.632 4.704
289 HA3 GLY 42 2HA GLY 42 -12.035 -11.150 4.833
290 HA PRO 43 HA PRO 43 -9.806 -12.960 8.433
291 HB2 PRO 43 1HB PRO 43 -11.837 -12.530 10.182
292 HB3 PRO 43 2HB PRO 43 -10.622 -11.304 9.801
293 HG2 PRO 43 1HG PRO 43 -13.402 -11.611 8.734
294 HG3 PRO 43 2HG PRO 43 -12.558 -10.140 9.252
295 HD2 PRO 43 1HD PRO 43 -12.817 -10.830 6.646
296 HD3 PRO 43 2HD PRO 43 -11.404 -9.951 7.265
297 H SER 44 H SER 44 -10.056 -14.990 7.284
298 HA SER 44 HA SER 44 -11.035 -17.016 6.795
299 HB2 SER 44 1HB SER 44 -11.675 -16.740 9.742
300 HB3 SER 44 2HB SER 44 -11.649 -18.255 8.840
301 HG SER 44 HG SER 44 -9.478 -18.100 8.619
302 H SER 45 H SER 45 -12.750 -14.969 6.030
303 HA SER 45 HA SER 45 -15.394 -15.484 7.056
304 HB2 SER 45 1HB SER 45 -14.883 -13.236 6.331
305 HB3 SER 45 2HB SER 45 -14.417 -13.811 4.731
306 HG SER 45 HG SER 45 -16.446 -13.877 4.172
307 H GLY 46 H GLY 46 -13.647 -16.123 4.029
308 HA2 GLY 46 1HA GLY 46 -13.940 -18.245 2.913
309 HA3 GLY 46 2HA GLY 46 -15.605 -18.256 3.474
Start of MODEL 8
1 H1 GLY 1 H GLY 1 -20.048 -2.402 -8.496
2 HA2 GLY 1 1HA GLY 1 -20.632 -2.615 -5.637
3 HA3 GLY 1 2HA GLY 1 -19.001 -2.148 -6.095
4 H SER 2 H SER 2 -18.951 -0.280 -7.739
5 HA SER 2 HA SER 2 -19.173 2.001 -7.857
6 HB2 SER 2 1HB SER 2 -21.372 2.706 -8.688
7 HB3 SER 2 2HB SER 2 -20.871 1.196 -9.450
8 HG SER 2 HG SER 2 -22.572 1.333 -7.185
9 H SER 3 H SER 3 -19.013 1.198 -5.205
10 HA SER 3 HA SER 3 -21.106 2.222 -3.592
11 HB2 SER 3 1HB SER 3 -19.489 2.051 -1.743
12 HB3 SER 3 2HB SER 3 -19.473 0.596 -2.739
13 HG SER 3 HG SER 3 -17.690 1.997 -3.861
14 H GLY 4 H GLY 4 -21.460 4.209 -2.740
15 HA2 GLY 4 1HA GLY 4 -21.113 6.442 -2.235
16 HA3 GLY 4 2HA GLY 4 -19.451 6.270 -2.779
17 H SER 5 H SER 5 -20.505 8.560 -3.451
18 HA SER 5 HA SER 5 -21.468 8.260 -6.219
19 HB2 SER 5 1HB SER 5 -22.286 10.621 -5.958
20 HB3 SER 5 2HB SER 5 -23.075 9.464 -4.886
21 HG SER 5 HG SER 5 -21.535 10.156 -3.262
22 H SER 6 H SER 6 -19.810 8.400 -7.585
23 HA SER 6 HA SER 6 -17.419 9.853 -6.987
24 HB2 SER 6 1HB SER 6 -18.409 8.399 -9.437
25 HB3 SER 6 2HB SER 6 -16.883 9.283 -9.430
26 HG SER 6 HG SER 6 -17.548 7.254 -7.562
27 H GLY 7 H GLY 7 -18.159 11.992 -6.648
28 HA2 GLY 7 1HA GLY 7 -18.336 13.522 -9.112
29 HA3 GLY 7 2HA GLY 7 -19.741 13.625 -8.061
30 H THR 8 H THR 8 -19.381 15.867 -7.796
31 HA THR 8 HA THR 8 -17.018 17.067 -6.949
32 HB THR 8 HB THR 8 -18.907 18.393 -7.719
33 HG1 THR 8 HG1 THR 8 -18.778 20.000 -6.102
34 HG21 THR 8 3HG2 THR 8 -20.956 18.560 -6.642
35 HG22 THR 8 1HG2 THR 8 -20.316 17.962 -5.112
36 HG23 THR 8 2HG2 THR 8 -20.574 16.849 -6.456
37 H GLY 9 H GLY 9 -15.848 16.495 -5.232
38 HA2 GLY 9 1HA GLY 9 -15.733 16.834 -2.788
39 HA3 GLY 9 2HA GLY 9 -17.282 16.010 -2.693
40 H GLU 10 H GLU 10 -14.180 15.309 -4.309
41 HA GLU 10 HA GLU 10 -14.357 12.572 -3.265
42 HB2 GLU 10 1HB GLU 10 -12.668 13.726 -5.490
43 HB3 GLU 10 2HB GLU 10 -12.632 12.046 -4.974
44 HG2 GLU 10 1HG GLU 10 -14.874 13.531 -6.304
45 HG3 GLU 10 2HG GLU 10 -13.990 12.124 -6.893
46 H LYS 11 H LYS 11 -12.824 11.706 -1.958
47 HA LYS 11 HA LYS 11 -11.135 13.495 -0.510
48 HB2 LYS 11 1HB LYS 11 -11.302 10.476 -0.456
49 HB3 LYS 11 2HB LYS 11 -10.410 11.458 0.699
50 HG2 LYS 11 1HG LYS 11 -13.354 11.822 0.263
51 HG3 LYS 11 2HG LYS 11 -12.715 10.619 1.386
52 HD2 LYS 11 1HD LYS 11 -11.342 12.634 2.317
53 HD3 LYS 11 2HD LYS 11 -12.583 13.603 1.518
54 HE2 LYS 11 1HE LYS 11 -13.481 13.353 3.624
55 HE3 LYS 11 2HE LYS 11 -14.228 12.008 2.764
56 HZ1 LYS 11 3HZ LYS 11 -13.029 10.487 3.910
57 HZ2 LYS 11 1HZ LYS 11 -13.030 11.705 5.084
58 HZ3 LYS 11 2HZ LYS 11 -11.680 11.491 4.088
59 HA PRO 12 HA PRO 12 -7.376 13.216 -2.762
60 HB2 PRO 12 1HB PRO 12 -5.555 13.395 -0.756
61 HB3 PRO 12 2HB PRO 12 -6.526 14.769 -1.298
62 HG2 PRO 12 1HG PRO 12 -6.941 12.969 1.058
63 HG3 PRO 12 2HG PRO 12 -7.098 14.732 0.956
64 HD2 PRO 12 1HD PRO 12 -9.236 13.073 0.887
65 HD3 PRO 12 2HD PRO 12 -9.197 14.616 0.011
66 H TYR 13 H TYR 13 -7.372 11.222 0.195
67 HA TYR 13 HA TYR 13 -6.414 8.955 -1.370
68 HB2 TYR 13 1HB TYR 13 -5.015 9.820 1.166
69 HB3 TYR 13 2HB TYR 13 -4.590 8.455 0.138
70 HD1 TYR 13 HD2 TYR 13 -3.595 8.855 -2.096
71 HD2 TYR 13 HD1 TYR 13 -4.315 12.040 0.631
72 HE1 TYR 13 HE2 TYR 13 -2.075 10.295 -3.386
73 HE2 TYR 13 HE1 TYR 13 -2.797 13.490 -0.652
74 HH TYR 13 HH TYR 13 -0.667 12.326 -2.969
75 H LYS 14 H LYS 14 -7.977 7.524 -1.006
76 HA LYS 14 HA LYS 14 -8.666 6.903 1.778
77 HB2 LYS 14 1HB LYS 14 -10.499 8.257 1.015
78 HB3 LYS 14 2HB LYS 14 -10.613 7.349 -0.487
79 HG2 LYS 14 1HG LYS 14 -11.182 5.333 0.922
80 HG3 LYS 14 2HG LYS 14 -11.345 6.446 2.283
81 HD2 LYS 14 1HD LYS 14 -12.976 7.747 0.846
82 HD3 LYS 14 2HD LYS 14 -12.951 6.373 -0.263
83 HE2 LYS 14 1HE LYS 14 -14.834 6.124 1.193
84 HE3 LYS 14 2HE LYS 14 -13.631 4.915 1.639
85 HZ1 LYS 14 3HZ LYS 14 -14.612 7.192 3.144
86 HZ2 LYS 14 1HZ LYS 14 -12.945 6.923 3.246
87 HZ3 LYS 14 2HZ LYS 14 -14.028 5.702 3.691
88 H CYS 15 H CYS 15 -8.216 4.845 2.156
89 HA CYS 15 HA CYS 15 -7.658 2.984 0.083
90 HB2 CYS 15 1HB CYS 15 -6.684 3.027 2.446
91 HB3 CYS 15 2HB CYS 15 -8.190 2.279 2.966
92 H ASN 16 H ASN 16 -9.826 3.373 -0.977
93 HA ASN 16 HA ASN 16 -12.293 2.735 -0.163
94 HB2 ASN 16 1HB ASN 16 -12.564 1.556 -2.466
95 HB3 ASN 16 2HB ASN 16 -12.134 3.263 -2.428
96 HD21 ASN 16 1HD2 ASN 16 -10.809 3.649 -4.045
97 HD22 ASN 16 2HD2 ASN 16 -9.438 2.694 -4.486
98 H GLU 17 H GLU 17 -9.726 0.399 -0.791
99 HA GLU 17 HA GLU 17 -11.012 -1.991 -0.759
100 HB2 GLU 17 1HB GLU 17 -8.443 -1.227 0.628
101 HB3 GLU 17 2HB GLU 17 -9.000 -2.888 0.490
102 HG2 GLU 17 1HG GLU 17 -9.126 -2.309 -2.060
103 HG3 GLU 17 2HG GLU 17 -7.977 -1.050 -1.612
104 H CYS 18 H CYS 18 -9.911 -0.299 2.183
105 HA CYS 18 HA CYS 18 -11.766 -1.945 3.753
106 HB2 CYS 18 1HB CYS 18 -10.483 -1.090 5.718
107 HB3 CYS 18 2HB CYS 18 -9.501 -2.004 4.577
108 H GLY 19 H GLY 19 -10.801 1.429 3.219
109 HA2 GLY 19 1HA GLY 19 -12.664 3.031 2.968
110 HA3 GLY 19 2HA GLY 19 -13.413 2.235 4.345
111 H LYS 20 H LYS 20 -10.016 3.138 3.987
112 HA LYS 20 HA LYS 20 -10.313 4.843 6.364
113 HB2 LYS 20 1HB LYS 20 -8.041 3.227 5.264
114 HB3 LYS 20 2HB LYS 20 -7.709 4.596 6.317
115 HG2 LYS 20 1HG LYS 20 -9.176 3.572 8.031
116 HG3 LYS 20 2HG LYS 20 -9.353 2.163 6.982
117 HD2 LYS 20 1HD LYS 20 -7.638 1.521 8.405
118 HD3 LYS 20 2HD LYS 20 -6.761 2.131 7.000
119 HE2 LYS 20 1HE LYS 20 -5.695 3.036 8.914
120 HE3 LYS 20 2HE LYS 20 -6.622 4.346 8.185
121 HZ1 LYS 20 3HZ LYS 20 -8.430 3.565 9.852
122 HZ2 LYS 20 1HZ LYS 20 -7.164 4.550 10.390
123 HZ3 LYS 20 2HZ LYS 20 -7.124 2.886 10.686
124 H VAL 21 H VAL 21 -8.487 6.604 6.399
125 HA VAL 21 HA VAL 21 -8.095 7.812 3.769
126 HB VAL 21 HB VAL 21 -9.438 9.278 6.045
127 HG11 VAL 21 1HG1 VAL 21 -9.043 11.229 5.011
128 HG12 VAL 21 2HG1 VAL 21 -7.736 10.354 4.210
129 HG13 VAL 21 3HG1 VAL 21 -9.295 10.542 3.406
130 HG21 VAL 21 3HG2 VAL 21 -10.434 8.138 3.463
131 HG22 VAL 21 1HG2 VAL 21 -11.131 8.023 5.079
132 HG23 VAL 21 2HG2 VAL 21 -11.223 9.540 4.185
133 H PHE 22 H PHE 22 -6.237 8.959 3.600
134 HA PHE 22 HA PHE 22 -4.708 9.434 6.072
135 HB2 PHE 22 1HB PHE 22 -3.593 8.524 3.411
136 HB3 PHE 22 2HB PHE 22 -2.654 8.864 4.861
137 HD1 PHE 22 HD1 PHE 22 -5.041 6.552 3.299
138 HD2 PHE 22 HD2 PHE 22 -2.529 7.293 6.654
139 HE1 PHE 22 HE1 PHE 22 -5.312 4.214 4.014
140 HE2 PHE 22 HE2 PHE 22 -2.795 4.956 7.373
141 HZ PHE 22 HZ PHE 22 -4.187 3.412 6.052
142 H THR 23 H THR 23 -2.714 10.915 5.445
143 HA THR 23 HA THR 23 -3.880 13.268 4.134
144 HB THR 23 HB THR 23 -2.150 14.573 5.304
145 HG1 THR 23 HG1 THR 23 -1.474 12.199 6.706
146 HG21 THR 23 3HG2 THR 23 -3.240 12.965 7.524
147 HG22 THR 23 1HG2 THR 23 -4.423 13.572 6.367
148 HG23 THR 23 2HG2 THR 23 -3.360 14.696 7.213
149 H GLN 24 H GLN 24 -0.959 11.273 4.210
150 HA GLN 24 HA GLN 24 -0.003 12.638 1.791
151 HB2 GLN 24 1HB GLN 24 1.446 12.353 3.921
152 HB3 GLN 24 2HB GLN 24 1.614 10.682 3.398
153 HG2 GLN 24 1HG GLN 24 3.455 12.263 2.721
154 HG3 GLN 24 2HG GLN 24 2.739 11.297 1.432
155 HE21 GLN 24 1HE2 GLN 24 3.378 12.736 -0.159
156 HE22 GLN 24 2HE2 GLN 24 2.627 14.278 -0.368
157 H ASN 25 H ASN 25 0.856 11.358 0.046
158 HA ASN 25 HA ASN 25 -0.837 9.214 -0.680
159 HB2 ASN 25 1HB ASN 25 0.276 9.211 -2.732
160 HB3 ASN 25 2HB ASN 25 0.485 10.871 -2.182
161 HD21 ASN 25 1HD2 ASN 25 2.019 8.104 -3.280
162 HD22 ASN 25 2HD2 ASN 25 3.650 8.559 -2.936
163 H SER 26 H SER 26 2.528 9.342 0.419
164 HA SER 26 HA SER 26 3.201 6.666 0.098
165 HB2 SER 26 1HB SER 26 4.102 8.525 2.312
166 HB3 SER 26 2HB SER 26 4.920 7.048 1.803
167 HG SER 26 HG SER 26 4.407 9.185 0.022
168 H HIS 27 H HIS 27 1.479 8.266 2.725
169 HA HIS 27 HA HIS 27 1.436 6.139 4.547
170 HB2 HIS 27 1HB HIS 27 -0.324 8.526 4.097
171 HB3 HIS 27 2HB HIS 27 -0.781 7.308 5.284
172 HD2 HIS 27 HD2 HIS 27 2.991 7.872 5.247
173 HE1 HIS 27 HE1 HIS 27 1.423 10.242 8.396
174 HE2 HIS 27 HE2 HIS 27 3.511 9.386 7.279
175 H LEU 28 H LEU 28 -0.831 7.014 1.963
176 HA LEU 28 HA LEU 28 -2.666 4.917 2.485
177 HB2 LEU 28 1HB LEU 28 -3.360 6.859 1.254
178 HB3 LEU 28 2HB LEU 28 -2.147 6.556 0.011
179 HG LEU 28 HG LEU 28 -3.372 4.499 -0.624
180 HD11 LEU 28 1HD1 LEU 28 -5.229 3.750 0.419
181 HD12 LEU 28 2HD1 LEU 28 -5.781 5.370 0.844
182 HD13 LEU 28 3HD1 LEU 28 -4.517 4.590 1.796
183 HD21 LEU 28 3HD2 LEU 28 -3.793 6.942 -1.493
184 HD22 LEU 28 1HD2 LEU 28 -5.363 6.712 -0.724
185 HD23 LEU 28 2HD2 LEU 28 -4.835 5.610 -1.995
186 H ALA 29 H ALA 29 -0.098 5.284 0.046
187 HA ALA 29 HA ALA 29 -0.409 2.779 -1.166
188 HB1 ALA 29 3HB ALA 29 2.236 4.176 -0.908
189 HB2 ALA 29 1HB ALA 29 1.644 3.171 -2.231
190 HB3 ALA 29 2HB ALA 29 0.959 4.775 -1.967
191 H ASN 30 H ASN 30 1.543 3.789 1.604
192 HA ASN 30 HA ASN 30 2.808 1.249 1.939
193 HB2 ASN 30 1HB ASN 30 4.030 3.028 2.844
194 HB3 ASN 30 2HB ASN 30 2.611 3.742 3.603
195 HD21 ASN 30 1HD2 ASN 30 5.329 1.854 4.062
196 HD22 ASN 30 2HD2 ASN 30 4.952 1.229 5.628
197 H HIS 31 H HIS 31 -0.291 2.385 2.596
198 HA HIS 31 HA HIS 31 -0.734 0.562 4.835
199 HB2 HIS 31 1HB HIS 31 -1.805 2.601 5.244
200 HB3 HIS 31 2HB HIS 31 -2.346 2.762 3.576
201 HD1 HIS 31 HD1 HIS 31 -3.110 0.785 6.708
202 HD2 HIS 31 HD2 HIS 31 -4.856 1.789 3.074
203 HE1 HIS 31 HE1 HIS 31 -5.486 -0.026 6.857
204 H GLN 32 H GLN 32 -2.116 1.213 1.616
205 HA GLN 32 HA GLN 32 -3.929 -0.812 1.408
206 HB2 GLN 32 1HB GLN 32 -2.064 0.326 -0.666
207 HB3 GLN 32 2HB GLN 32 -3.298 -0.860 -1.069
208 HG2 GLN 32 1HG GLN 32 -4.127 1.565 0.426
209 HG3 GLN 32 2HG GLN 32 -3.727 1.731 -1.283
210 HE21 GLN 32 1HE2 GLN 32 -5.899 2.281 -1.699
211 HE22 GLN 32 2HE2 GLN 32 -7.130 1.071 -1.765
212 H ARG 33 H ARG 33 -0.465 -1.073 1.415
213 HA ARG 33 HA ARG 33 -0.006 -3.497 0.208
214 HB2 ARG 33 1HB ARG 33 2.011 -3.610 1.401
215 HB3 ARG 33 2HB ARG 33 1.661 -1.889 1.307
216 HG2 ARG 33 1HG ARG 33 1.018 -1.783 3.560
217 HG3 ARG 33 2HG ARG 33 0.878 -3.538 3.686
218 HD2 ARG 33 1HD ARG 33 3.420 -3.486 3.074
219 HD3 ARG 33 2HD ARG 33 3.321 -1.822 3.650
220 HE ARG 33 HE ARG 33 3.161 -2.613 5.791
221 HH11 ARG 33 1HH1 ARG 33 2.516 -5.212 3.567
222 HH12 ARG 33 2HH1 ARG 33 2.490 -6.432 4.796
223 HH21 ARG 33 1HH2 ARG 33 3.128 -4.210 7.419
224 HH22 ARG 33 2HH2 ARG 33 2.837 -5.861 6.988
225 H ILE 34 H ILE 34 -1.327 -2.868 3.407
226 HA ILE 34 HA ILE 34 -1.180 -5.394 4.533
227 HB ILE 34 HB ILE 34 -2.939 -4.767 6.003
228 HG12 ILE 34 1HG1 ILE 34 -3.670 -2.529 4.107
229 HG13 ILE 34 2HG1 ILE 34 -4.511 -4.074 4.159
230 HG21 ILE 34 1HG2 ILE 34 -1.649 -3.231 6.951
231 HG22 ILE 34 2HG2 ILE 34 -0.774 -3.065 5.430
232 HG23 ILE 34 3HG2 ILE 34 -2.157 -2.025 5.769
233 HD11 ILE 34 3HD1 ILE 34 -5.414 -2.000 5.466
234 HD12 ILE 34 1HD1 ILE 34 -5.509 -3.617 6.161
235 HD13 ILE 34 2HD1 ILE 34 -4.232 -2.511 6.671
236 H HIS 35 H HIS 35 -3.295 -4.194 2.039
237 HA HIS 35 HA HIS 35 -4.960 -6.588 2.143
238 HB2 HIS 35 1HB HIS 35 -5.188 -4.317 0.171
239 HB3 HIS 35 2HB HIS 35 -6.423 -5.488 0.623
240 HD1 HIS 35 HD1 HIS 35 -6.986 -5.300 3.387
241 HD2 HIS 35 HD2 HIS 35 -5.585 -1.943 1.379
242 HE1 HIS 35 HE1 HIS 35 -7.646 -3.338 4.815
243 H THR 36 H THR 36 -3.123 -4.815 -0.350
244 HA THR 36 HA THR 36 -3.071 -7.135 -2.068
245 HB THR 36 HB THR 36 -3.252 -4.917 -3.074
246 HG1 THR 36 HG1 THR 36 -1.637 -5.234 -4.636
247 HG21 THR 36 3HG2 THR 36 -1.625 -3.987 -1.193
248 HG22 THR 36 1HG2 THR 36 -1.782 -3.193 -2.759
249 HG23 THR 36 2HG2 THR 36 -0.419 -4.267 -2.448
250 H GLY 37 H GLY 37 -1.774 -8.768 -1.480
251 HA2 GLY 37 1HA GLY 37 0.808 -9.076 -1.805
252 HA3 GLY 37 2HA GLY 37 0.841 -8.171 -0.299
253 H VAL 38 H VAL 38 -1.359 -10.734 -1.401
254 HA VAL 38 HA VAL 38 -0.970 -12.119 1.126
255 HB VAL 38 HB VAL 38 -2.787 -13.586 0.396
256 HG11 VAL 38 1HG1 VAL 38 -3.632 -10.772 -0.213
257 HG12 VAL 38 2HG1 VAL 38 -4.529 -12.040 0.624
258 HG13 VAL 38 3HG1 VAL 38 -3.153 -11.265 1.410
259 HG21 VAL 38 3HG2 VAL 38 -2.585 -13.856 -1.895
260 HG22 VAL 38 1HG2 VAL 38 -3.989 -12.797 -1.765
261 HG23 VAL 38 2HG2 VAL 38 -2.413 -12.126 -2.188
262 H LYS 39 H LYS 39 -1.012 -14.641 0.867
263 HA LYS 39 HA LYS 39 1.385 -15.622 0.230
264 HB2 LYS 39 1HB LYS 39 -0.281 -17.053 1.204
265 HB3 LYS 39 2HB LYS 39 -1.276 -16.970 -0.244
266 HG2 LYS 39 1HG LYS 39 0.730 -18.049 -1.434
267 HG3 LYS 39 2HG LYS 39 1.289 -18.449 0.192
268 HD2 LYS 39 1HD LYS 39 -1.012 -19.470 0.563
269 HD3 LYS 39 2HD LYS 39 -1.240 -19.326 -1.182
270 HE2 LYS 39 1HE LYS 39 1.019 -20.573 -1.341
271 HE3 LYS 39 2HE LYS 39 0.713 -21.016 0.338
272 HZ1 LYS 39 3HZ LYS 39 -0.912 -21.688 -2.044
273 HZ2 LYS 39 1HZ LYS 39 -1.501 -21.860 -0.467
274 HZ3 LYS 39 2HZ LYS 39 -0.151 -22.748 -0.968
275 HA PRO 40 HA PRO 40 2.094 -15.145 -4.093
276 HB2 PRO 40 1HB PRO 40 4.070 -16.983 -4.389
277 HB3 PRO 40 2HB PRO 40 4.321 -15.422 -3.600
278 HG2 PRO 40 1HG PRO 40 3.850 -18.110 -2.371
279 HG3 PRO 40 2HG PRO 40 5.005 -16.851 -1.898
280 HD2 PRO 40 1HD PRO 40 2.654 -17.231 -0.609
281 HD3 PRO 40 2HD PRO 40 3.405 -15.631 -0.773
282 H SER 41 H SER 41 1.216 -15.966 -5.900
283 HA SER 41 HA SER 41 -0.261 -18.428 -5.753
284 HB2 SER 41 1HB SER 41 -0.888 -17.862 -8.121
285 HB3 SER 41 2HB SER 41 -1.260 -16.594 -6.953
286 HG SER 41 HG SER 41 1.050 -16.678 -8.602
287 H GLY 42 H GLY 42 1.238 -20.086 -5.557
288 HA2 GLY 42 1HA GLY 42 2.829 -20.590 -7.994
289 HA3 GLY 42 2HA GLY 42 3.482 -20.892 -6.391
290 HA PRO 43 HA PRO 43 1.329 -24.704 -8.169
291 HB2 PRO 43 1HB PRO 43 3.544 -26.255 -8.405
292 HB3 PRO 43 2HB PRO 43 2.965 -25.204 -9.703
293 HG2 PRO 43 1HG PRO 43 5.155 -24.731 -7.718
294 HG3 PRO 43 2HG PRO 43 5.129 -24.389 -9.458
295 HD2 PRO 43 1HD PRO 43 4.718 -22.472 -7.591
296 HD3 PRO 43 2HD PRO 43 3.936 -22.436 -9.185
297 H SER 44 H SER 44 3.855 -24.192 -5.773
298 HA SER 44 HA SER 44 2.429 -25.954 -3.935
299 HB2 SER 44 1HB SER 44 4.392 -27.204 -3.310
300 HB3 SER 44 2HB SER 44 4.215 -27.316 -5.061
301 HG SER 44 HG SER 44 6.382 -26.792 -4.155
302 H SER 45 H SER 45 3.610 -25.847 -1.701
303 HA SER 45 HA SER 45 4.383 -23.042 -1.230
304 HB2 SER 45 1HB SER 45 3.311 -23.272 1.010
305 HB3 SER 45 2HB SER 45 2.168 -23.436 -0.323
306 HG SER 45 HG SER 45 3.346 -25.548 1.164
307 H GLY 46 H GLY 46 6.303 -24.950 -1.822
308 HA2 GLY 46 1HA GLY 46 7.467 -25.666 0.785
309 HA3 GLY 46 2HA GLY 46 7.924 -26.366 -0.761
Start of MODEL 9
1 H1 GLY 1 H GLY 1 -35.410 30.801 1.182
2 HA2 GLY 1 1HA GLY 1 -34.088 29.491 2.666
3 HA3 GLY 1 2HA GLY 1 -35.157 28.128 2.368
4 H SER 2 H SER 2 -33.006 27.053 2.137
5 HA SER 2 HA SER 2 -32.455 26.610 -0.613
6 HB2 SER 2 1HB SER 2 -31.202 28.796 -0.058
7 HB3 SER 2 2HB SER 2 -30.113 27.775 0.882
8 HG SER 2 HG SER 2 -29.358 28.047 -1.248
9 H SER 3 H SER 3 -31.600 24.626 -0.896
10 HA SER 3 HA SER 3 -30.623 23.234 1.511
11 HB2 SER 3 1HB SER 3 -31.472 21.157 0.515
12 HB3 SER 3 2HB SER 3 -32.764 22.346 0.675
13 HG SER 3 HG SER 3 -32.610 21.207 -1.400
14 H GLY 4 H GLY 4 -29.067 21.470 1.101
15 HA2 GLY 4 1HA GLY 4 -27.645 21.332 -1.364
16 HA3 GLY 4 2HA GLY 4 -26.787 22.333 -0.202
17 H SER 5 H SER 5 -25.090 21.111 0.375
18 HA SER 5 HA SER 5 -25.675 18.450 1.494
19 HB2 SER 5 1HB SER 5 -23.591 19.280 -0.467
20 HB3 SER 5 2HB SER 5 -23.142 18.076 0.741
21 HG SER 5 HG SER 5 -24.028 16.777 -0.675
22 H SER 6 H SER 6 -23.645 17.710 2.831
23 HA SER 6 HA SER 6 -22.494 19.947 4.322
24 HB2 SER 6 1HB SER 6 -24.575 19.303 5.507
25 HB3 SER 6 2HB SER 6 -23.956 17.659 5.663
26 HG SER 6 HG SER 6 -22.367 19.771 6.576
27 H GLY 7 H GLY 7 -20.375 19.634 4.379
28 HA2 GLY 7 1HA GLY 7 -19.245 17.155 5.275
29 HA3 GLY 7 2HA GLY 7 -18.984 17.422 3.558
30 H THR 8 H THR 8 -16.867 17.197 5.321
31 HA THR 8 HA THR 8 -15.467 19.627 4.791
32 HB THR 8 HB THR 8 -16.722 20.274 6.847
33 HG1 THR 8 HG1 THR 8 -13.910 20.033 7.253
34 HG21 THR 8 3HG2 THR 8 -16.633 17.937 7.829
35 HG22 THR 8 1HG2 THR 8 -16.292 19.259 8.945
36 HG23 THR 8 2HG2 THR 8 -14.969 18.294 8.289
37 H GLY 9 H GLY 9 -13.384 19.149 4.472
38 HA2 GLY 9 1HA GLY 9 -11.324 18.144 5.267
39 HA3 GLY 9 2HA GLY 9 -12.274 16.780 5.836
40 H GLU 10 H GLU 10 -10.860 18.337 3.046
41 HA GLU 10 HA GLU 10 -11.809 16.763 0.986
42 HB2 GLU 10 1HB GLU 10 -9.066 17.964 1.378
43 HB3 GLU 10 2HB GLU 10 -9.600 17.232 -0.128
44 HG2 GLU 10 1HG GLU 10 -11.053 19.510 1.181
45 HG3 GLU 10 2HG GLU 10 -9.754 19.740 0.012
46 H LYS 11 H LYS 11 -11.446 14.747 0.247
47 HA LYS 11 HA LYS 11 -9.570 13.074 1.784
48 HB2 LYS 11 1HB LYS 11 -12.241 12.484 0.547
49 HB3 LYS 11 2HB LYS 11 -11.092 11.185 0.841
50 HG2 LYS 11 1HG LYS 11 -11.214 11.423 3.142
51 HG3 LYS 11 2HG LYS 11 -11.846 13.068 3.038
52 HD2 LYS 11 1HD LYS 11 -13.651 11.668 3.702
53 HD3 LYS 11 2HD LYS 11 -13.925 12.094 2.011
54 HE2 LYS 11 1HE LYS 11 -12.608 9.861 1.576
55 HE3 LYS 11 2HE LYS 11 -13.133 9.483 3.216
56 HZ1 LYS 11 3HZ LYS 11 -15.347 9.509 2.602
57 HZ2 LYS 11 1HZ LYS 11 -14.615 8.799 1.252
58 HZ3 LYS 11 2HZ LYS 11 -15.074 10.426 1.208
59 HA PRO 12 HA PRO 12 -7.852 13.285 -2.496
60 HB2 PRO 12 1HB PRO 12 -5.262 13.351 -1.684
61 HB3 PRO 12 2HB PRO 12 -6.265 14.801 -1.816
62 HG2 PRO 12 1HG PRO 12 -5.575 13.189 0.610
63 HG3 PRO 12 2HG PRO 12 -5.627 14.951 0.415
64 HD2 PRO 12 1HD PRO 12 -7.629 13.556 1.588
65 HD3 PRO 12 2HD PRO 12 -7.918 15.036 0.651
66 H TYR 13 H TYR 13 -6.751 11.395 0.301
67 HA TYR 13 HA TYR 13 -6.375 9.099 -1.507
68 HB2 TYR 13 1HB TYR 13 -4.790 9.519 1.024
69 HB3 TYR 13 2HB TYR 13 -4.476 8.376 -0.278
70 HD1 TYR 13 HD2 TYR 13 -4.329 9.726 -2.686
71 HD2 TYR 13 HD1 TYR 13 -3.271 11.237 1.148
72 HE1 TYR 13 HE2 TYR 13 -2.817 11.348 -3.750
73 HE2 TYR 13 HE1 TYR 13 -1.756 12.864 0.095
74 HH TYR 13 HH TYR 13 -1.866 13.806 -2.902
75 H LYS 14 H LYS 14 -7.919 7.663 -1.138
76 HA LYS 14 HA LYS 14 -8.616 7.028 1.646
77 HB2 LYS 14 1HB LYS 14 -10.419 8.409 0.826
78 HB3 LYS 14 2HB LYS 14 -10.542 7.451 -0.644
79 HG2 LYS 14 1HG LYS 14 -11.247 5.516 0.698
80 HG3 LYS 14 2HG LYS 14 -11.176 6.519 2.149
81 HD2 LYS 14 1HD LYS 14 -12.959 7.880 1.416
82 HD3 LYS 14 2HD LYS 14 -12.864 7.251 -0.231
83 HE2 LYS 14 1HE LYS 14 -13.465 5.413 2.051
84 HE3 LYS 14 2HE LYS 14 -14.741 6.418 1.365
85 HZ1 LYS 14 3HZ LYS 14 -14.560 5.366 -0.692
86 HZ2 LYS 14 1HZ LYS 14 -14.440 4.095 0.418
87 HZ3 LYS 14 2HZ LYS 14 -13.050 4.692 -0.337
88 H CYS 15 H CYS 15 -8.412 4.936 2.082
89 HA CYS 15 HA CYS 15 -7.741 3.065 0.028
90 HB2 CYS 15 1HB CYS 15 -6.870 3.083 2.426
91 HB3 CYS 15 2HB CYS 15 -8.422 2.393 2.889
92 H ASN 16 H ASN 16 -9.647 3.155 -1.287
93 HA ASN 16 HA ASN 16 -12.248 2.716 -0.586
94 HB2 ASN 16 1HB ASN 16 -12.460 1.540 -2.838
95 HB3 ASN 16 2HB ASN 16 -11.777 3.164 -2.866
96 HD21 ASN 16 1HD2 ASN 16 -11.498 0.329 -4.285
97 HD22 ASN 16 2HD2 ASN 16 -9.802 0.281 -4.613
98 H GLU 17 H GLU 17 -9.644 0.390 -0.671
99 HA GLU 17 HA GLU 17 -11.014 -2.007 -0.693
100 HB2 GLU 17 1HB GLU 17 -8.434 -1.109 0.505
101 HB3 GLU 17 2HB GLU 17 -9.052 -2.692 0.955
102 HG2 GLU 17 1HG GLU 17 -7.453 -2.740 -0.929
103 HG3 GLU 17 2HG GLU 17 -9.030 -3.424 -1.318
104 H CYS 18 H CYS 18 -9.945 -0.270 2.237
105 HA CYS 18 HA CYS 18 -11.996 -1.714 3.761
106 HB2 CYS 18 1HB CYS 18 -10.746 -1.078 5.752
107 HB3 CYS 18 2HB CYS 18 -9.671 -1.848 4.590
108 H GLY 19 H GLY 19 -10.709 1.561 3.252
109 HA2 GLY 19 1HA GLY 19 -12.467 3.279 2.848
110 HA3 GLY 19 2HA GLY 19 -13.287 2.608 4.250
111 H LYS 20 H LYS 20 -9.819 3.134 3.990
112 HA LYS 20 HA LYS 20 -9.981 4.926 6.298
113 HB2 LYS 20 1HB LYS 20 -7.830 3.219 5.110
114 HB3 LYS 20 2HB LYS 20 -7.376 4.599 6.101
115 HG2 LYS 20 1HG LYS 20 -8.885 3.656 7.890
116 HG3 LYS 20 2HG LYS 20 -8.983 2.193 6.907
117 HD2 LYS 20 1HD LYS 20 -6.721 1.707 7.190
118 HD3 LYS 20 2HD LYS 20 -6.327 3.362 7.658
119 HE2 LYS 20 1HE LYS 20 -8.099 1.591 9.321
120 HE3 LYS 20 2HE LYS 20 -6.346 1.611 9.504
121 HZ1 LYS 20 3HZ LYS 20 -6.935 3.174 11.029
122 HZ2 LYS 20 1HZ LYS 20 -8.308 3.675 10.178
123 HZ3 LYS 20 2HZ LYS 20 -6.773 4.178 9.677
124 H VAL 21 H VAL 21 -8.102 6.631 6.269
125 HA VAL 21 HA VAL 21 -7.702 7.826 3.648
126 HB VAL 21 HB VAL 21 -9.102 9.338 5.858
127 HG11 VAL 21 1HG1 VAL 21 -8.205 11.140 4.903
128 HG12 VAL 21 2HG1 VAL 21 -7.581 10.199 3.546
129 HG13 VAL 21 3HG1 VAL 21 -9.237 10.806 3.513
130 HG21 VAL 21 3HG2 VAL 21 -10.100 8.415 3.164
131 HG22 VAL 21 1HG2 VAL 21 -10.608 7.800 4.737
132 HG23 VAL 21 2HG2 VAL 21 -10.983 9.461 4.276
133 H PHE 22 H PHE 22 -5.848 8.987 3.513
134 HA PHE 22 HA PHE 22 -4.427 9.601 6.014
135 HB2 PHE 22 1HB PHE 22 -3.064 8.530 3.542
136 HB3 PHE 22 2HB PHE 22 -2.358 8.779 5.135
137 HD1 PHE 22 HD1 PHE 22 -4.771 6.731 3.230
138 HD2 PHE 22 HD2 PHE 22 -2.470 7.114 6.790
139 HE1 PHE 22 HE1 PHE 22 -5.314 4.406 3.827
140 HE2 PHE 22 HE2 PHE 22 -3.008 4.790 7.392
141 HZ PHE 22 HZ PHE 22 -4.431 3.432 5.909
142 H THR 23 H THR 23 -2.849 11.301 5.847
143 HA THR 23 HA THR 23 -3.737 13.439 4.156
144 HB THR 23 HB THR 23 -1.374 13.309 6.039
145 HG1 THR 23 HG1 THR 23 -3.773 13.193 6.738
146 HG21 THR 23 3HG2 THR 23 -1.075 15.057 4.369
147 HG22 THR 23 1HG2 THR 23 -1.440 15.769 5.941
148 HG23 THR 23 2HG2 THR 23 -2.692 15.676 4.702
149 H GLN 24 H GLN 24 -0.792 11.473 4.383
150 HA GLN 24 HA GLN 24 0.159 12.657 1.873
151 HB2 GLN 24 1HB GLN 24 1.576 12.380 4.070
152 HB3 GLN 24 2HB GLN 24 1.777 10.731 3.493
153 HG2 GLN 24 1HG GLN 24 2.846 11.464 1.508
154 HG3 GLN 24 2HG GLN 24 2.422 13.145 1.826
155 HE21 GLN 24 1HE2 GLN 24 4.935 12.848 1.315
156 HE22 GLN 24 2HE2 GLN 24 5.923 12.868 2.732
157 H ASN 25 H ASN 25 0.218 11.535 0.022
158 HA ASN 25 HA ASN 25 -1.257 9.278 -0.443
159 HB2 ASN 25 1HB ASN 25 0.394 8.971 -2.453
160 HB3 ASN 25 2HB ASN 25 -0.638 10.397 -2.378
161 HD21 ASN 25 1HD2 ASN 25 0.264 12.393 -1.950
162 HD22 ASN 25 2HD2 ASN 25 1.967 12.676 -2.020
163 H SER 26 H SER 26 2.193 9.455 0.339
164 HA SER 26 HA SER 26 2.924 6.821 -0.000
165 HB2 SER 26 1HB SER 26 4.664 7.232 1.703
166 HB3 SER 26 2HB SER 26 4.527 8.581 0.576
167 HG SER 26 HG SER 26 4.141 9.793 2.234
168 H HIS 27 H HIS 27 1.523 8.315 2.907
169 HA HIS 27 HA HIS 27 1.526 6.140 4.601
170 HB2 HIS 27 1HB HIS 27 -0.322 8.484 4.304
171 HB3 HIS 27 2HB HIS 27 -0.685 7.223 5.479
172 HD2 HIS 27 HD2 HIS 27 2.759 7.046 6.120
173 HE1 HIS 27 HE1 HIS 27 1.820 10.770 7.924
174 HE2 HIS 27 HE2 HIS 27 3.540 8.945 7.694
175 H LEU 28 H LEU 28 -0.890 7.000 2.152
176 HA LEU 28 HA LEU 28 -2.659 4.867 2.716
177 HB2 LEU 28 1HB LEU 28 -3.513 6.712 1.518
178 HB3 LEU 28 2HB LEU 28 -2.239 6.609 0.305
179 HG LEU 28 HG LEU 28 -3.258 4.429 -0.429
180 HD11 LEU 28 1HD1 LEU 28 -5.636 4.090 0.193
181 HD12 LEU 28 2HD1 LEU 28 -5.454 5.341 1.423
182 HD13 LEU 28 3HD1 LEU 28 -4.513 3.853 1.533
183 HD21 LEU 28 3HD2 LEU 28 -4.646 5.487 -1.920
184 HD22 LEU 28 1HD2 LEU 28 -3.687 6.850 -1.341
185 HD23 LEU 28 2HD2 LEU 28 -5.308 6.577 -0.701
186 H ALA 29 H ALA 29 -0.310 5.280 0.062
187 HA ALA 29 HA ALA 29 -0.566 2.825 -1.150
188 HB1 ALA 29 3HB ALA 29 1.812 4.624 -0.815
189 HB2 ALA 29 1HB ALA 29 1.906 3.122 -1.735
190 HB3 ALA 29 2HB ALA 29 0.790 4.394 -2.233
191 H ASN 30 H ASN 30 1.646 3.665 1.514
192 HA ASN 30 HA ASN 30 2.773 1.117 1.822
193 HB2 ASN 30 1HB ASN 30 3.894 2.927 2.860
194 HB3 ASN 30 2HB ASN 30 2.443 3.437 3.717
195 HD21 ASN 30 1HD2 ASN 30 1.642 2.039 5.408
196 HD22 ASN 30 2HD2 ASN 30 2.756 1.074 6.308
197 H HIS 31 H HIS 31 -0.209 2.499 3.005
198 HA HIS 31 HA HIS 31 -0.761 0.506 4.956
199 HB2 HIS 31 1HB HIS 31 -1.937 2.522 5.240
200 HB3 HIS 31 2HB HIS 31 -2.433 2.575 3.552
201 HD1 HIS 31 HD1 HIS 31 -3.050 0.335 6.571
202 HD2 HIS 31 HD2 HIS 31 -4.995 1.799 3.204
203 HE1 HIS 31 HE1 HIS 31 -5.410 -0.516 6.735
204 H GLN 32 H GLN 32 -1.943 1.013 1.636
205 HA GLN 32 HA GLN 32 -3.658 -1.101 1.379
206 HB2 GLN 32 1HB GLN 32 -1.719 0.033 -0.635
207 HB3 GLN 32 2HB GLN 32 -2.951 -1.151 -1.050
208 HG2 GLN 32 1HG GLN 32 -3.731 1.377 0.328
209 HG3 GLN 32 2HG GLN 32 -3.397 1.382 -1.403
210 HE21 GLN 32 1HE2 GLN 32 -5.716 2.084 -1.324
211 HE22 GLN 32 2HE2 GLN 32 -6.916 0.844 -1.412
212 H ARG 33 H ARG 33 -0.269 -1.223 1.847
213 HA ARG 33 HA ARG 33 0.515 -3.562 0.631
214 HB2 ARG 33 1HB ARG 33 1.306 -2.563 3.374
215 HB3 ARG 33 2HB ARG 33 2.172 -3.787 2.456
216 HG2 ARG 33 1HG ARG 33 1.717 -0.996 1.440
217 HG3 ARG 33 2HG ARG 33 3.134 -1.467 2.381
218 HD2 ARG 33 1HD ARG 33 2.284 -2.760 -0.207
219 HD3 ARG 33 2HD ARG 33 3.509 -1.499 -0.073
220 HE ARG 33 HE ARG 33 4.185 -3.597 1.656
221 HH11 ARG 33 1HH1 ARG 33 3.953 -2.917 -1.750
222 HH12 ARG 33 2HH1 ARG 33 5.188 -4.049 -2.193
223 HH21 ARG 33 1HH2 ARG 33 5.813 -5.090 1.086
224 HH22 ARG 33 2HH2 ARG 33 6.244 -5.285 -0.579
225 H ILE 34 H ILE 34 -1.395 -3.140 3.544
226 HA ILE 34 HA ILE 34 -1.314 -5.895 4.316
227 HB ILE 34 HB ILE 34 -2.991 -5.338 5.955
228 HG12 ILE 34 1HG1 ILE 34 -3.200 -2.518 4.998
229 HG13 ILE 34 2HG1 ILE 34 -4.144 -3.750 4.168
230 HG21 ILE 34 1HG2 ILE 34 -0.751 -3.401 5.562
231 HG22 ILE 34 2HG2 ILE 34 -1.867 -3.194 6.911
232 HG23 ILE 34 3HG2 ILE 34 -0.931 -4.681 6.762
233 HD11 ILE 34 3HD1 ILE 34 -4.714 -2.412 6.595
234 HD12 ILE 34 1HD1 ILE 34 -5.679 -3.618 5.745
235 HD13 ILE 34 2HD1 ILE 34 -4.493 -4.125 6.949
236 H HIS 35 H HIS 35 -3.165 -4.043 2.087
237 HA HIS 35 HA HIS 35 -5.312 -6.006 1.953
238 HB2 HIS 35 1HB HIS 35 -4.839 -3.407 0.487
239 HB3 HIS 35 2HB HIS 35 -6.214 -4.464 0.177
240 HD1 HIS 35 HD1 HIS 35 -7.341 -5.109 2.808
241 HD2 HIS 35 HD2 HIS 35 -5.704 -1.372 2.023
242 HE1 HIS 35 HE1 HIS 35 -8.363 -3.558 4.503
243 H THR 36 H THR 36 -2.409 -6.436 1.108
244 HA THR 36 HA THR 36 -2.979 -8.076 -1.148
245 HB THR 36 HB THR 36 -2.802 -5.777 -2.199
246 HG1 THR 36 HG1 THR 36 -2.032 -6.764 -3.934
247 HG21 THR 36 3HG2 THR 36 -0.731 -5.320 -0.610
248 HG22 THR 36 1HG2 THR 36 -0.852 -4.577 -2.204
249 HG23 THR 36 2HG2 THR 36 0.156 -6.005 -1.972
250 H GLY 37 H GLY 37 -1.382 -9.591 -1.512
251 HA2 GLY 37 1HA GLY 37 1.211 -9.252 -0.212
252 HA3 GLY 37 2HA GLY 37 0.203 -10.569 0.370
253 H VAL 38 H VAL 38 -0.324 -12.292 -1.080
254 HA VAL 38 HA VAL 38 1.642 -12.570 -3.258
255 HB VAL 38 HB VAL 38 1.884 -14.156 -1.332
256 HG11 VAL 38 1HG1 VAL 38 0.288 -15.730 -0.788
257 HG12 VAL 38 2HG1 VAL 38 -0.714 -14.326 -1.162
258 HG13 VAL 38 3HG1 VAL 38 -0.515 -15.612 -2.353
259 HG21 VAL 38 3HG2 VAL 38 2.915 -14.891 -3.277
260 HG22 VAL 38 1HG2 VAL 38 1.847 -16.236 -2.875
261 HG23 VAL 38 2HG2 VAL 38 1.385 -15.090 -4.133
262 H LYS 39 H LYS 39 0.998 -13.562 -5.200
263 HA LYS 39 HA LYS 39 -1.899 -13.426 -5.693
264 HB2 LYS 39 1HB LYS 39 0.500 -12.905 -7.409
265 HB3 LYS 39 2HB LYS 39 -1.015 -13.386 -8.163
266 HG2 LYS 39 1HG LYS 39 -1.003 -11.045 -8.221
267 HG3 LYS 39 2HG LYS 39 -2.088 -11.470 -6.895
268 HD2 LYS 39 1HD LYS 39 -0.569 -10.807 -5.271
269 HD3 LYS 39 2HD LYS 39 0.812 -10.954 -6.361
270 HE2 LYS 39 1HE LYS 39 0.063 -8.996 -7.597
271 HE3 LYS 39 2HE LYS 39 -1.358 -8.867 -6.562
272 HZ1 LYS 39 3HZ LYS 39 1.437 -8.676 -5.581
273 HZ2 LYS 39 1HZ LYS 39 0.025 -8.385 -4.694
274 HZ3 LYS 39 2HZ LYS 39 0.466 -7.340 -5.949
275 HA PRO 40 HA PRO 40 -1.014 -17.931 -5.893
276 HB2 PRO 40 1HB PRO 40 -3.448 -18.663 -4.941
277 HB3 PRO 40 2HB PRO 40 -2.096 -18.231 -3.889
278 HG2 PRO 40 1HG PRO 40 -4.431 -16.568 -4.750
279 HG3 PRO 40 2HG PRO 40 -3.689 -16.709 -3.146
280 HD2 PRO 40 1HD PRO 40 -3.185 -14.630 -4.806
281 HD3 PRO 40 2HD PRO 40 -1.973 -15.262 -3.673
282 H SER 41 H SER 41 -3.642 -15.946 -7.072
283 HA SER 41 HA SER 41 -4.007 -17.839 -9.297
284 HB2 SER 41 1HB SER 41 -5.966 -18.012 -7.879
285 HB3 SER 41 2HB SER 41 -6.153 -16.259 -7.861
286 HG SER 41 HG SER 41 -7.462 -17.604 -9.413
287 H GLY 42 H GLY 42 -2.389 -16.465 -10.334
288 HA2 GLY 42 1HA GLY 42 -3.690 -14.298 -11.779
289 HA3 GLY 42 2HA GLY 42 -2.284 -13.848 -10.826
290 HA PRO 43 HA PRO 43 -1.261 -15.966 -15.052
291 HB2 PRO 43 1HB PRO 43 -1.508 -13.914 -16.813
292 HB3 PRO 43 2HB PRO 43 -2.820 -15.047 -16.468
293 HG2 PRO 43 1HG PRO 43 -2.365 -12.291 -15.392
294 HG3 PRO 43 2HG PRO 43 -3.873 -13.039 -15.952
295 HD2 PRO 43 1HD PRO 43 -3.242 -12.819 -13.328
296 HD3 PRO 43 2HD PRO 43 -4.192 -14.174 -13.972
297 H SER 44 H SER 44 -0.641 -12.730 -13.807
298 HA SER 44 HA SER 44 2.114 -12.873 -14.821
299 HB2 SER 44 1HB SER 44 2.163 -10.412 -14.211
300 HB3 SER 44 2HB SER 44 1.060 -10.846 -15.517
301 HG SER 44 HG SER 44 0.103 -10.808 -12.883
302 H SER 45 H SER 45 3.850 -12.191 -13.404
303 HA SER 45 HA SER 45 3.537 -11.821 -10.631
304 HB2 SER 45 1HB SER 45 2.839 -14.239 -10.824
305 HB3 SER 45 2HB SER 45 4.481 -14.601 -11.357
306 HG SER 45 HG SER 45 4.144 -14.883 -9.077
307 H GLY 46 H GLY 46 5.481 -11.349 -9.611
308 HA2 GLY 46 1HA GLY 46 7.636 -10.554 -9.536
309 HA3 GLY 46 2HA GLY 46 8.040 -12.026 -10.408
Start of MODEL 10
1 H1 GLY 1 H GLY 1 -27.617 13.487 -21.377
2 HA2 GLY 1 1HA GLY 1 -28.269 10.872 -20.174
3 HA3 GLY 1 2HA GLY 1 -26.633 11.512 -20.117
4 H SER 2 H SER 2 -28.761 10.854 -18.037
5 HA SER 2 HA SER 2 -29.138 13.459 -16.782
6 HB2 SER 2 1HB SER 2 -30.979 11.732 -16.863
7 HB3 SER 2 2HB SER 2 -30.023 10.759 -15.746
8 HG SER 2 HG SER 2 -30.042 12.842 -14.454
9 H SER 3 H SER 3 -27.148 14.081 -16.040
10 HA SER 3 HA SER 3 -26.231 12.816 -13.625
11 HB2 SER 3 1HB SER 3 -24.000 12.278 -14.334
12 HB3 SER 3 2HB SER 3 -25.111 11.498 -15.459
13 HG SER 3 HG SER 3 -24.728 13.197 -16.918
14 H GLY 4 H GLY 4 -25.442 14.311 -12.271
15 HA2 GLY 4 1HA GLY 4 -24.490 16.856 -13.425
16 HA3 GLY 4 2HA GLY 4 -25.633 16.835 -12.090
17 H SER 5 H SER 5 -22.368 16.834 -12.979
18 HA SER 5 HA SER 5 -21.560 16.188 -10.219
19 HB2 SER 5 1HB SER 5 -20.684 14.738 -12.155
20 HB3 SER 5 2HB SER 5 -19.707 16.138 -12.596
21 HG SER 5 HG SER 5 -19.324 14.332 -10.617
22 H SER 6 H SER 6 -22.536 18.717 -10.792
23 HA SER 6 HA SER 6 -20.319 20.500 -11.301
24 HB2 SER 6 1HB SER 6 -21.959 22.293 -10.978
25 HB3 SER 6 2HB SER 6 -22.590 21.068 -12.079
26 HG SER 6 HG SER 6 -24.231 21.229 -10.731
27 H GLY 7 H GLY 7 -19.778 18.850 -9.133
28 HA2 GLY 7 1HA GLY 7 -19.523 20.863 -7.021
29 HA3 GLY 7 2HA GLY 7 -20.278 19.333 -6.601
30 H THR 8 H THR 8 -17.415 21.001 -6.660
31 HA THR 8 HA THR 8 -15.737 18.626 -6.970
32 HB THR 8 HB THR 8 -14.843 21.468 -6.466
33 HG1 THR 8 HG1 THR 8 -16.083 20.998 -8.497
34 HG21 THR 8 3HG2 THR 8 -12.837 20.518 -6.246
35 HG22 THR 8 1HG2 THR 8 -12.944 20.036 -7.939
36 HG23 THR 8 2HG2 THR 8 -13.480 18.933 -6.671
37 H GLY 9 H GLY 9 -14.481 17.775 -5.341
38 HA2 GLY 9 1HA GLY 9 -13.574 18.547 -3.011
39 HA3 GLY 9 2HA GLY 9 -15.289 18.550 -2.630
40 H GLU 10 H GLU 10 -12.847 16.408 -4.100
41 HA GLU 10 HA GLU 10 -14.144 14.157 -2.710
42 HB2 GLU 10 1HB GLU 10 -12.509 14.153 -5.252
43 HB3 GLU 10 2HB GLU 10 -13.122 12.712 -4.453
44 HG2 GLU 10 1HG GLU 10 -15.315 13.168 -5.017
45 HG3 GLU 10 2HG GLU 10 -15.000 14.884 -5.269
46 H LYS 11 H LYS 11 -12.934 12.804 -1.462
47 HA LYS 11 HA LYS 11 -10.681 13.720 -0.169
48 HB2 LYS 11 1HB LYS 11 -12.215 11.783 0.473
49 HB3 LYS 11 2HB LYS 11 -11.238 10.788 -0.599
50 HG2 LYS 11 1HG LYS 11 -10.405 10.450 1.581
51 HG3 LYS 11 2HG LYS 11 -9.236 11.484 0.756
52 HD2 LYS 11 1HD LYS 11 -9.451 12.547 2.795
53 HD3 LYS 11 2HD LYS 11 -10.625 13.423 1.810
54 HE2 LYS 11 1HE LYS 11 -11.450 11.027 3.406
55 HE3 LYS 11 2HE LYS 11 -11.312 12.610 4.170
56 HZ1 LYS 11 3HZ LYS 11 -13.411 12.861 3.490
57 HZ2 LYS 11 1HZ LYS 11 -13.314 11.614 2.350
58 HZ3 LYS 11 2HZ LYS 11 -12.748 13.160 1.963
59 HA PRO 12 HA PRO 12 -7.407 13.233 -3.092
60 HB2 PRO 12 1HB PRO 12 -5.328 13.420 -1.357
61 HB3 PRO 12 2HB PRO 12 -6.288 14.816 -1.859
62 HG2 PRO 12 1HG PRO 12 -6.478 13.190 0.647
63 HG3 PRO 12 2HG PRO 12 -6.554 14.950 0.447
64 HD2 PRO 12 1HD PRO 12 -8.767 13.424 0.770
65 HD3 PRO 12 2HD PRO 12 -8.764 14.907 -0.206
66 H TYR 13 H TYR 13 -6.980 11.470 -0.015
67 HA TYR 13 HA TYR 13 -6.298 9.074 -1.568
68 HB2 TYR 13 1HB TYR 13 -4.801 9.885 0.926
69 HB3 TYR 13 2HB TYR 13 -4.425 8.559 -0.168
70 HD1 TYR 13 HD2 TYR 13 -3.862 9.232 -2.623
71 HD2 TYR 13 HD1 TYR 13 -3.718 11.922 0.670
72 HE1 TYR 13 HE2 TYR 13 -2.364 10.706 -3.900
73 HE2 TYR 13 HE1 TYR 13 -2.220 13.404 -0.599
74 HH TYR 13 HH TYR 13 -1.489 12.820 -3.979
75 H LYS 14 H LYS 14 -7.688 7.531 -1.061
76 HA LYS 14 HA LYS 14 -8.320 6.993 1.723
77 HB2 LYS 14 1HB LYS 14 -10.099 8.509 1.202
78 HB3 LYS 14 2HB LYS 14 -10.415 7.705 -0.330
79 HG2 LYS 14 1HG LYS 14 -11.005 5.652 1.043
80 HG3 LYS 14 2HG LYS 14 -11.006 6.726 2.444
81 HD2 LYS 14 1HD LYS 14 -12.691 8.137 1.333
82 HD3 LYS 14 2HD LYS 14 -12.711 7.016 -0.031
83 HE2 LYS 14 1HE LYS 14 -13.772 5.361 1.175
84 HE3 LYS 14 2HE LYS 14 -13.203 5.980 2.725
85 HZ1 LYS 14 3HZ LYS 14 -15.510 6.800 1.130
86 HZ2 LYS 14 1HZ LYS 14 -14.708 8.002 2.010
87 HZ3 LYS 14 2HZ LYS 14 -15.352 6.657 2.808
88 H CYS 15 H CYS 15 -8.054 4.887 2.004
89 HA CYS 15 HA CYS 15 -7.704 3.055 -0.096
90 HB2 CYS 15 1HB CYS 15 -6.751 2.753 2.163
91 HB3 CYS 15 2HB CYS 15 -8.370 2.485 2.800
92 H ASN 16 H ASN 16 -9.013 1.479 -0.966
93 HA ASN 16 HA ASN 16 -11.888 1.877 -0.541
94 HB2 ASN 16 1HB ASN 16 -10.456 0.478 -2.811
95 HB3 ASN 16 2HB ASN 16 -12.186 0.792 -2.717
96 HD21 ASN 16 1HD2 ASN 16 -12.865 2.500 -3.775
97 HD22 ASN 16 2HD2 ASN 16 -11.924 3.891 -4.179
98 H GLU 17 H GLU 17 -9.354 -0.330 0.041
99 HA GLU 17 HA GLU 17 -10.823 -2.754 0.030
100 HB2 GLU 17 1HB GLU 17 -8.236 -1.907 1.312
101 HB3 GLU 17 2HB GLU 17 -8.908 -3.510 1.575
102 HG2 GLU 17 1HG GLU 17 -7.425 -3.836 -0.165
103 HG3 GLU 17 2HG GLU 17 -8.975 -3.675 -0.987
104 H CYS 18 H CYS 18 -9.644 -0.815 2.786
105 HA CYS 18 HA CYS 18 -11.685 -2.064 4.474
106 HB2 CYS 18 1HB CYS 18 -10.424 -1.130 6.361
107 HB3 CYS 18 2HB CYS 18 -9.382 -2.088 5.315
108 H GLY 19 H GLY 19 -10.501 1.132 3.490
109 HA2 GLY 19 1HA GLY 19 -12.164 2.833 2.955
110 HA3 GLY 19 2HA GLY 19 -13.121 2.228 4.299
111 H LYS 20 H LYS 20 -9.703 3.177 3.968
112 HA LYS 20 HA LYS 20 -10.091 4.961 6.281
113 HB2 LYS 20 1HB LYS 20 -7.869 3.153 5.477
114 HB3 LYS 20 2HB LYS 20 -7.434 4.666 6.261
115 HG2 LYS 20 1HG LYS 20 -8.844 4.089 8.168
116 HG3 LYS 20 2HG LYS 20 -9.290 2.574 7.380
117 HD2 LYS 20 1HD LYS 20 -6.895 1.929 7.370
118 HD3 LYS 20 2HD LYS 20 -6.528 3.402 8.270
119 HE2 LYS 20 1HE LYS 20 -8.616 1.571 9.338
120 HE3 LYS 20 2HE LYS 20 -6.926 1.091 9.489
121 HZ1 LYS 20 3HZ LYS 20 -7.598 2.289 11.439
122 HZ2 LYS 20 1HZ LYS 20 -8.149 3.595 10.515
123 HZ3 LYS 20 2HZ LYS 20 -6.496 3.240 10.577
124 H VAL 21 H VAL 21 -8.314 6.738 6.311
125 HA VAL 21 HA VAL 21 -7.846 7.785 3.608
126 HB VAL 21 HB VAL 21 -8.959 9.448 5.872
127 HG11 VAL 21 1HG1 VAL 21 -9.036 11.254 4.323
128 HG12 VAL 21 2HG1 VAL 21 -7.409 10.575 4.249
129 HG13 VAL 21 3HG1 VAL 21 -8.578 10.205 2.982
130 HG21 VAL 21 3HG2 VAL 21 -10.563 9.234 3.454
131 HG22 VAL 21 1HG2 VAL 21 -10.353 7.687 4.275
132 HG23 VAL 21 2HG2 VAL 21 -11.036 9.062 5.144
133 H PHE 22 H PHE 22 -6.040 9.100 3.385
134 HA PHE 22 HA PHE 22 -4.429 9.676 5.745
135 HB2 PHE 22 1HB PHE 22 -3.157 8.281 3.397
136 HB3 PHE 22 2HB PHE 22 -2.487 8.549 5.003
137 HD1 PHE 22 HD1 PHE 22 -5.059 6.661 3.132
138 HD2 PHE 22 HD2 PHE 22 -2.781 6.974 6.713
139 HE1 PHE 22 HE1 PHE 22 -5.848 4.435 3.824
140 HE2 PHE 22 HE2 PHE 22 -3.565 4.749 7.411
141 HZ PHE 22 HZ PHE 22 -5.099 3.476 5.966
142 H THR 23 H THR 23 -4.306 11.824 5.531
143 HA THR 23 HA THR 23 -4.553 13.460 3.424
144 HB THR 23 HB THR 23 -3.055 15.078 4.496
145 HG1 THR 23 HG1 THR 23 -2.206 12.775 5.908
146 HG21 THR 23 3HG2 THR 23 -4.603 13.533 6.576
147 HG22 THR 23 1HG2 THR 23 -5.331 14.645 5.419
148 HG23 THR 23 2HG2 THR 23 -4.183 15.245 6.616
149 H GLN 24 H GLN 24 -1.630 11.642 4.214
150 HA GLN 24 HA GLN 24 -0.291 12.683 1.837
151 HB2 GLN 24 1HB GLN 24 0.628 11.037 4.182
152 HB3 GLN 24 2HB GLN 24 1.619 11.218 2.741
153 HG2 GLN 24 1HG GLN 24 1.201 13.770 3.151
154 HG3 GLN 24 2HG GLN 24 0.874 13.233 4.798
155 HE21 GLN 24 1HE2 GLN 24 2.989 14.928 4.056
156 HE22 GLN 24 2HE2 GLN 24 4.475 14.109 4.380
157 H ASN 25 H ASN 25 0.545 11.323 0.205
158 HA ASN 25 HA ASN 25 -1.180 9.163 -0.498
159 HB2 ASN 25 1HB ASN 25 -0.357 10.426 -2.314
160 HB3 ASN 25 2HB ASN 25 1.304 10.335 -1.735
161 HD21 ASN 25 1HD2 ASN 25 2.091 9.512 -3.645
162 HD22 ASN 25 2HD2 ASN 25 1.759 7.902 -4.177
163 H SER 26 H SER 26 2.293 9.327 0.284
164 HA SER 26 HA SER 26 2.986 6.693 0.101
165 HB2 SER 26 1HB SER 26 3.855 8.667 2.226
166 HB3 SER 26 2HB SER 26 4.669 7.142 1.880
167 HG SER 26 HG SER 26 4.460 9.446 0.268
168 H HIS 27 H HIS 27 1.356 8.276 2.815
169 HA HIS 27 HA HIS 27 1.359 6.167 4.627
170 HB2 HIS 27 1HB HIS 27 -0.580 8.425 4.164
171 HB3 HIS 27 2HB HIS 27 -0.821 7.251 5.455
172 HD2 HIS 27 HD2 HIS 27 2.852 8.269 4.961
173 HE1 HIS 27 HE1 HIS 27 1.352 10.479 8.258
174 HE2 HIS 27 HE2 HIS 27 3.392 9.891 6.903
175 H LEU 28 H LEU 28 -1.087 6.983 2.174
176 HA LEU 28 HA LEU 28 -2.761 4.771 2.717
177 HB2 LEU 28 1HB LEU 28 -3.674 6.644 1.578
178 HB3 LEU 28 2HB LEU 28 -2.454 6.548 0.310
179 HG LEU 28 HG LEU 28 -3.472 4.429 -0.459
180 HD11 LEU 28 1HD1 LEU 28 -5.963 4.886 1.017
181 HD12 LEU 28 2HD1 LEU 28 -4.617 4.308 1.999
182 HD13 LEU 28 3HD1 LEU 28 -5.148 3.380 0.596
183 HD21 LEU 28 3HD2 LEU 28 -5.615 6.520 -0.343
184 HD22 LEU 28 1HD2 LEU 28 -5.177 5.445 -1.671
185 HD23 LEU 28 2HD2 LEU 28 -4.124 6.794 -1.245
186 H ALA 29 H ALA 29 -0.455 5.335 0.055
187 HA ALA 29 HA ALA 29 -0.649 2.906 -1.226
188 HB1 ALA 29 3HB ALA 29 1.360 5.026 -1.054
189 HB2 ALA 29 1HB ALA 29 2.013 3.443 -1.475
190 HB3 ALA 29 2HB ALA 29 0.737 4.161 -2.459
191 H ASN 30 H ASN 30 1.655 3.746 1.365
192 HA ASN 30 HA ASN 30 2.777 1.180 1.602
193 HB2 ASN 30 1HB ASN 30 3.673 3.388 2.528
194 HB3 ASN 30 2HB ASN 30 2.551 3.160 3.866
195 HD21 ASN 30 1HD2 ASN 30 3.270 2.087 5.558
196 HD22 ASN 30 2HD2 ASN 30 4.645 1.041 5.587
197 H HIS 31 H HIS 31 -0.135 2.581 2.885
198 HA HIS 31 HA HIS 31 -0.586 0.675 4.945
199 HB2 HIS 31 1HB HIS 31 -1.841 2.585 5.274
200 HB3 HIS 31 2HB HIS 31 -2.233 2.750 3.565
201 HD1 HIS 31 HD1 HIS 31 -3.230 0.760 6.614
202 HD2 HIS 31 HD2 HIS 31 -4.628 1.642 2.802
203 HE1 HIS 31 HE1 HIS 31 -5.574 -0.149 6.530
204 H GLN 32 H GLN 32 -2.083 1.053 1.727
205 HA GLN 32 HA GLN 32 -3.733 -1.062 1.585
206 HB2 GLN 32 1HB GLN 32 -1.832 0.019 -0.474
207 HB3 GLN 32 2HB GLN 32 -2.901 -1.324 -0.853
208 HG2 GLN 32 1HG GLN 32 -4.814 0.131 -0.122
209 HG3 GLN 32 2HG GLN 32 -3.667 1.468 -0.056
210 HE21 GLN 32 1HE2 GLN 32 -4.257 2.713 -1.711
211 HE22 GLN 32 2HE2 GLN 32 -4.381 2.194 -3.354
212 H ARG 33 H ARG 33 -0.279 -1.217 1.817
213 HA ARG 33 HA ARG 33 0.335 -3.705 0.836
214 HB2 ARG 33 1HB ARG 33 1.381 -2.304 3.297
215 HB3 ARG 33 2HB ARG 33 2.084 -3.785 2.661
216 HG2 ARG 33 1HG ARG 33 1.806 -1.267 1.043
217 HG3 ARG 33 2HG ARG 33 3.237 -1.660 1.997
218 HD2 ARG 33 1HD ARG 33 2.130 -3.555 -0.051
219 HD3 ARG 33 2HD ARG 33 3.252 -2.268 -0.490
220 HE ARG 33 HE ARG 33 3.905 -4.728 0.755
221 HH11 ARG 33 1HH1 ARG 33 4.743 -1.349 0.728
222 HH12 ARG 33 2HH1 ARG 33 6.374 -1.615 1.248
223 HH21 ARG 33 1HH2 ARG 33 6.050 -5.091 1.440
224 HH22 ARG 33 2HH2 ARG 33 7.116 -3.745 1.652
225 H ILE 34 H ILE 34 -0.924 -2.932 4.068
226 HA ILE 34 HA ILE 34 -0.905 -5.443 5.204
227 HB ILE 34 HB ILE 34 -2.678 -4.719 6.667
228 HG12 ILE 34 1HG1 ILE 34 -3.106 -2.204 5.107
229 HG13 ILE 34 2HG1 ILE 34 -3.930 -3.671 4.589
230 HG21 ILE 34 1HG2 ILE 34 -1.682 -2.127 6.759
231 HG22 ILE 34 2HG2 ILE 34 -1.049 -3.535 7.611
232 HG23 ILE 34 3HG2 ILE 34 -0.382 -3.080 6.044
233 HD11 ILE 34 3HD1 ILE 34 -4.236 -2.140 7.138
234 HD12 ILE 34 1HD1 ILE 34 -5.466 -2.624 5.971
235 HD13 ILE 34 2HD1 ILE 34 -4.725 -3.830 7.024
236 H HIS 35 H HIS 35 -2.905 -4.243 2.656
237 HA HIS 35 HA HIS 35 -4.875 -6.351 2.905
238 HB2 HIS 35 1HB HIS 35 -4.471 -4.229 0.787
239 HB3 HIS 35 2HB HIS 35 -5.818 -5.364 0.822
240 HD1 HIS 35 HD1 HIS 35 -6.666 -5.216 3.729
241 HD2 HIS 35 HD2 HIS 35 -5.621 -1.878 1.487
242 HE1 HIS 35 HE1 HIS 35 -7.779 -3.268 4.865
243 H THR 36 H THR 36 -2.921 -5.332 0.106
244 HA THR 36 HA THR 36 -2.235 -6.593 -1.702
245 HB THR 36 HB THR 36 -0.557 -8.368 -0.967
246 HG1 THR 36 HG1 THR 36 -0.037 -7.973 1.389
247 HG21 THR 36 3HG2 THR 36 0.775 -6.416 0.340
248 HG22 THR 36 1HG2 THR 36 -0.485 -5.465 -0.443
249 HG23 THR 36 2HG2 THR 36 0.592 -6.470 -1.413
250 H GLY 37 H GLY 37 -4.833 -7.355 -1.036
251 HA2 GLY 37 1HA GLY 37 -6.251 -9.026 -1.807
252 HA3 GLY 37 2HA GLY 37 -4.847 -10.041 -2.102
253 H VAL 38 H VAL 38 -7.435 -10.661 -0.824
254 HA VAL 38 HA VAL 38 -7.064 -10.943 1.973
255 HB VAL 38 HB VAL 38 -8.977 -12.467 1.907
256 HG11 VAL 38 1HG1 VAL 38 -10.609 -10.917 0.828
257 HG12 VAL 38 2HG1 VAL 38 -9.485 -10.128 1.936
258 HG13 VAL 38 3HG1 VAL 38 -9.242 -10.002 0.193
259 HG21 VAL 38 3HG2 VAL 38 -9.507 -12.191 -0.949
260 HG22 VAL 38 1HG2 VAL 38 -8.072 -13.152 -0.591
261 HG23 VAL 38 2HG2 VAL 38 -9.632 -13.607 0.095
262 H LYS 39 H LYS 39 -6.827 -12.952 3.153
263 HA LYS 39 HA LYS 39 -4.572 -14.342 2.808
264 HB2 LYS 39 1HB LYS 39 -5.393 -16.016 4.247
265 HB3 LYS 39 2HB LYS 39 -6.302 -14.572 4.674
266 HG2 LYS 39 1HG LYS 39 -7.370 -16.605 2.745
267 HG3 LYS 39 2HG LYS 39 -7.588 -16.756 4.490
268 HD2 LYS 39 1HD LYS 39 -8.737 -14.625 4.564
269 HD3 LYS 39 2HD LYS 39 -8.438 -14.374 2.842
270 HE2 LYS 39 1HE LYS 39 -9.893 -16.815 3.772
271 HE3 LYS 39 2HE LYS 39 -10.746 -15.277 3.645
272 HZ1 LYS 39 3HZ LYS 39 -9.261 -16.603 1.439
273 HZ2 LYS 39 1HZ LYS 39 -10.120 -15.150 1.325
274 HZ3 LYS 39 2HZ LYS 39 -10.943 -16.597 1.622
275 HA PRO 40 HA PRO 40 -4.803 -16.754 -0.865
276 HB2 PRO 40 1HB PRO 40 -2.973 -18.664 -0.254
277 HB3 PRO 40 2HB PRO 40 -2.528 -17.004 -0.668
278 HG2 PRO 40 1HG PRO 40 -2.770 -18.285 2.027
279 HG3 PRO 40 2HG PRO 40 -1.518 -17.187 1.419
280 HD2 PRO 40 1HD PRO 40 -3.540 -16.349 3.013
281 HD3 PRO 40 2HD PRO 40 -2.813 -15.313 1.768
282 H SER 41 H SER 41 -4.736 -18.633 2.165
283 HA SER 41 HA SER 41 -5.911 -20.453 2.859
284 HB2 SER 41 1HB SER 41 -7.820 -18.899 2.089
285 HB3 SER 41 2HB SER 41 -7.906 -19.932 0.662
286 HG SER 41 HG SER 41 -9.324 -20.572 2.391
287 H GLY 42 H GLY 42 -3.825 -20.856 1.007
288 HA2 GLY 42 1HA GLY 42 -4.833 -22.948 -0.789
289 HA3 GLY 42 2HA GLY 42 -3.239 -22.212 -0.860
290 HA PRO 43 HA PRO 43 -1.652 -25.778 1.156
291 HB2 PRO 43 1HB PRO 43 0.650 -24.734 2.148
292 HB3 PRO 43 2HB PRO 43 0.416 -25.086 0.432
293 HG2 PRO 43 1HG PRO 43 0.194 -22.474 1.877
294 HG3 PRO 43 2HG PRO 43 0.951 -22.826 0.313
295 HD2 PRO 43 1HD PRO 43 -1.516 -21.730 0.523
296 HD3 PRO 43 2HD PRO 43 -1.063 -22.816 -0.807
297 H SER 44 H SER 44 -1.337 -26.690 3.209
298 HA SER 44 HA SER 44 -1.983 -24.948 5.494
299 HB2 SER 44 1HB SER 44 -3.204 -27.568 4.692
300 HB3 SER 44 2HB SER 44 -3.122 -27.130 6.398
301 HG SER 44 HG SER 44 -4.101 -25.235 4.593
302 H SER 45 H SER 45 0.585 -25.295 5.040
303 HA SER 45 HA SER 45 1.609 -27.667 6.336
304 HB2 SER 45 1HB SER 45 2.721 -26.406 4.394
305 HB3 SER 45 2HB SER 45 3.219 -25.225 5.605
306 HG SER 45 HG SER 45 3.955 -27.934 5.358
307 H GLY 46 H GLY 46 1.766 -24.161 6.990
308 HA2 GLY 46 1HA GLY 46 3.065 -23.963 9.310
309 HA3 GLY 46 2HA GLY 46 1.562 -23.091 9.048
Start of MODEL 11
1 H1 GLY 1 H GLY 1 -37.200 6.150 6.866
2 HA2 GLY 1 1HA GLY 1 -35.199 8.074 7.472
3 HA3 GLY 1 2HA GLY 1 -35.408 6.516 8.259
4 H SER 2 H SER 2 -32.925 7.794 7.567
5 HA SER 2 HA SER 2 -31.741 5.601 6.080
6 HB2 SER 2 1HB SER 2 -30.555 7.056 4.505
7 HB3 SER 2 2HB SER 2 -32.299 7.243 4.323
8 HG SER 2 HG SER 2 -31.016 8.957 6.101
9 H SER 3 H SER 3 -29.348 5.672 6.158
10 HA SER 3 HA SER 3 -28.333 7.238 8.431
11 HB2 SER 3 1HB SER 3 -28.052 4.270 7.963
12 HB3 SER 3 2HB SER 3 -26.960 5.163 9.022
13 HG SER 3 HG SER 3 -29.328 4.186 9.618
14 H GLY 4 H GLY 4 -25.911 7.255 8.509
15 HA2 GLY 4 1HA GLY 4 -23.998 6.570 6.870
16 HA3 GLY 4 2HA GLY 4 -24.902 7.607 5.776
17 H SER 5 H SER 5 -23.379 9.189 5.524
18 HA SER 5 HA SER 5 -23.111 11.046 7.729
19 HB2 SER 5 1HB SER 5 -21.206 9.531 8.097
20 HB3 SER 5 2HB SER 5 -20.656 9.821 6.447
21 HG SER 5 HG SER 5 -20.880 11.750 8.518
22 H SER 6 H SER 6 -23.305 13.046 6.973
23 HA SER 6 HA SER 6 -23.823 13.730 4.380
24 HB2 SER 6 1HB SER 6 -22.808 15.288 6.724
25 HB3 SER 6 2HB SER 6 -22.876 16.075 5.147
26 HG SER 6 HG SER 6 -24.808 16.306 6.432
27 H GLY 7 H GLY 7 -22.600 14.959 2.791
28 HA2 GLY 7 1HA GLY 7 -19.790 14.065 2.707
29 HA3 GLY 7 2HA GLY 7 -20.790 14.363 1.293
30 H THR 8 H THR 8 -18.306 15.564 3.055
31 HA THR 8 HA THR 8 -18.460 18.129 1.752
32 HB THR 8 HB THR 8 -18.291 18.128 4.767
33 HG1 THR 8 HG1 THR 8 -20.417 18.579 4.819
34 HG21 THR 8 3HG2 THR 8 -18.149 20.180 2.628
35 HG22 THR 8 1HG2 THR 8 -17.315 20.104 4.179
36 HG23 THR 8 2HG2 THR 8 -19.002 20.613 4.109
37 H GLY 9 H GLY 9 -16.470 18.808 1.226
38 HA2 GLY 9 1HA GLY 9 -14.178 19.014 1.213
39 HA3 GLY 9 2HA GLY 9 -14.179 18.437 2.873
40 H GLU 10 H GLU 10 -14.198 17.436 -0.505
41 HA GLU 10 HA GLU 10 -14.032 14.677 -0.154
42 HB2 GLU 10 1HB GLU 10 -14.281 16.079 -2.319
43 HB3 GLU 10 2HB GLU 10 -12.523 16.101 -2.327
44 HG2 GLU 10 1HG GLU 10 -12.938 14.291 -3.652
45 HG3 GLU 10 2HG GLU 10 -12.779 13.516 -2.078
46 H LYS 11 H LYS 11 -12.284 13.231 -0.104
47 HA LYS 11 HA LYS 11 -9.891 14.336 1.167
48 HB2 LYS 11 1HB LYS 11 -9.428 12.013 1.839
49 HB3 LYS 11 2HB LYS 11 -11.019 12.544 2.368
50 HG2 LYS 11 1HG LYS 11 -11.731 11.430 0.066
51 HG3 LYS 11 2HG LYS 11 -10.266 10.494 0.369
52 HD2 LYS 11 1HD LYS 11 -11.961 9.242 1.383
53 HD3 LYS 11 2HD LYS 11 -11.222 10.124 2.721
54 HE2 LYS 11 1HE LYS 11 -13.000 11.745 2.698
55 HE3 LYS 11 2HE LYS 11 -13.692 11.025 1.245
56 HZ1 LYS 11 3HZ LYS 11 -14.056 8.975 2.548
57 HZ2 LYS 11 1HZ LYS 11 -14.930 10.299 3.137
58 HZ3 LYS 11 2HZ LYS 11 -13.531 9.786 3.937
59 HA PRO 12 HA PRO 12 -7.410 13.761 -2.425
60 HB2 PRO 12 1HB PRO 12 -4.975 13.593 -1.236
61 HB3 PRO 12 2HB PRO 12 -5.866 15.112 -1.389
62 HG2 PRO 12 1HG PRO 12 -5.643 13.275 0.964
63 HG3 PRO 12 2HG PRO 12 -5.570 15.046 0.916
64 HD2 PRO 12 1HD PRO 12 -7.800 13.700 1.655
65 HD3 PRO 12 2HD PRO 12 -7.863 15.264 0.817
66 H TYR 13 H TYR 13 -6.915 11.578 0.324
67 HA TYR 13 HA TYR 13 -6.532 9.378 -1.580
68 HB2 TYR 13 1HB TYR 13 -4.907 9.623 0.951
69 HB3 TYR 13 2HB TYR 13 -4.691 8.472 -0.363
70 HD1 TYR 13 HD2 TYR 13 -3.798 9.259 -2.553
71 HD2 TYR 13 HD1 TYR 13 -3.931 11.790 0.864
72 HE1 TYR 13 HE2 TYR 13 -2.177 10.771 -3.618
73 HE2 TYR 13 HE1 TYR 13 -2.311 13.310 -0.191
74 HH TYR 13 HH TYR 13 -0.367 12.824 -2.195
75 H LYS 14 H LYS 14 -7.517 7.493 -1.041
76 HA LYS 14 HA LYS 14 -8.452 6.990 1.642
77 HB2 LYS 14 1HB LYS 14 -10.224 8.455 0.810
78 HB3 LYS 14 2HB LYS 14 -10.430 7.429 -0.603
79 HG2 LYS 14 1HG LYS 14 -10.864 5.577 1.211
80 HG3 LYS 14 2HG LYS 14 -11.264 6.974 2.213
81 HD2 LYS 14 1HD LYS 14 -12.848 7.716 0.449
82 HD3 LYS 14 2HD LYS 14 -12.510 6.223 -0.431
83 HE2 LYS 14 1HE LYS 14 -13.386 6.097 2.422
84 HE3 LYS 14 2HE LYS 14 -14.580 6.383 1.157
85 HZ1 LYS 14 3HZ LYS 14 -14.459 4.055 1.551
86 HZ2 LYS 14 1HZ LYS 14 -12.773 4.044 1.417
87 HZ3 LYS 14 2HZ LYS 14 -13.727 4.344 0.054
88 H CYS 15 H CYS 15 -8.325 4.877 2.018
89 HA CYS 15 HA CYS 15 -7.669 3.058 -0.087
90 HB2 CYS 15 1HB CYS 15 -6.757 2.905 2.235
91 HB3 CYS 15 2HB CYS 15 -8.358 2.427 2.790
92 H ASN 16 H ASN 16 -8.867 1.404 -0.957
93 HA ASN 16 HA ASN 16 -11.764 1.626 -0.579
94 HB2 ASN 16 1HB ASN 16 -10.502 1.722 -2.881
95 HB3 ASN 16 2HB ASN 16 -10.509 -0.033 -2.733
96 HD21 ASN 16 1HD2 ASN 16 -12.770 2.660 -2.229
97 HD22 ASN 16 2HD2 ASN 16 -14.099 1.916 -3.045
98 H GLU 17 H GLU 17 -9.097 -0.478 -0.016
99 HA GLU 17 HA GLU 17 -10.432 -2.953 0.084
100 HB2 GLU 17 1HB GLU 17 -7.958 -1.966 1.504
101 HB3 GLU 17 2HB GLU 17 -8.517 -3.631 1.579
102 HG2 GLU 17 1HG GLU 17 -7.883 -2.221 -0.996
103 HG3 GLU 17 2HG GLU 17 -6.703 -3.161 -0.085
104 H CYS 18 H CYS 18 -9.744 -0.557 2.612
105 HA CYS 18 HA CYS 18 -11.692 -1.939 4.338
106 HB2 CYS 18 1HB CYS 18 -10.499 -0.896 6.252
107 HB3 CYS 18 2HB CYS 18 -9.483 -1.998 5.328
108 H GLY 19 H GLY 19 -10.403 1.258 3.462
109 HA2 GLY 19 1HA GLY 19 -12.049 2.954 2.793
110 HA3 GLY 19 2HA GLY 19 -13.061 2.375 4.108
111 H LYS 20 H LYS 20 -9.588 3.094 4.086
112 HA LYS 20 HA LYS 20 -10.042 4.928 6.332
113 HB2 LYS 20 1HB LYS 20 -7.711 3.277 5.435
114 HB3 LYS 20 2HB LYS 20 -7.427 4.705 6.422
115 HG2 LYS 20 1HG LYS 20 -9.233 3.650 7.974
116 HG3 LYS 20 2HG LYS 20 -8.815 2.161 7.124
117 HD2 LYS 20 1HD LYS 20 -6.526 2.340 7.801
118 HD3 LYS 20 2HD LYS 20 -6.794 3.955 8.461
119 HE2 LYS 20 1HE LYS 20 -7.977 3.148 10.288
120 HE3 LYS 20 2HE LYS 20 -8.358 1.622 9.492
121 HZ1 LYS 20 3HZ LYS 20 -5.597 1.760 9.656
122 HZ2 LYS 20 1HZ LYS 20 -6.629 0.746 10.533
123 HZ3 LYS 20 2HZ LYS 20 -6.174 2.246 11.170
124 H VAL 21 H VAL 21 -8.298 6.737 6.415
125 HA VAL 21 HA VAL 21 -7.880 7.879 3.740
126 HB VAL 21 HB VAL 21 -8.927 9.466 6.087
127 HG11 VAL 21 1HG1 VAL 21 -8.697 10.291 3.201
128 HG12 VAL 21 2HG1 VAL 21 -9.075 11.306 4.594
129 HG13 VAL 21 3HG1 VAL 21 -7.456 10.630 4.407
130 HG21 VAL 21 3HG2 VAL 21 -10.669 7.994 5.304
131 HG22 VAL 21 1HG2 VAL 21 -11.014 9.636 4.760
132 HG23 VAL 21 2HG2 VAL 21 -10.355 8.452 3.630
133 H PHE 22 H PHE 22 -6.076 9.184 3.514
134 HA PHE 22 HA PHE 22 -4.424 9.730 5.850
135 HB2 PHE 22 1HB PHE 22 -3.144 8.369 3.495
136 HB3 PHE 22 2HB PHE 22 -2.520 8.562 5.130
137 HD1 PHE 22 HD1 PHE 22 -4.885 6.701 3.019
138 HD2 PHE 22 HD2 PHE 22 -3.065 7.015 6.854
139 HE1 PHE 22 HE1 PHE 22 -5.727 4.462 3.598
140 HE2 PHE 22 HE2 PHE 22 -3.902 4.777 7.439
141 HZ PHE 22 HZ PHE 22 -5.234 3.497 5.810
142 H THR 23 H THR 23 -3.940 11.808 5.701
143 HA THR 23 HA THR 23 -4.304 13.473 3.553
144 HB THR 23 HB THR 23 -3.850 14.232 5.882
145 HG1 THR 23 HG1 THR 23 -3.288 16.115 5.064
146 HG21 THR 23 3HG2 THR 23 -1.766 14.188 6.857
147 HG22 THR 23 1HG2 THR 23 -0.923 14.122 5.309
148 HG23 THR 23 2HG2 THR 23 -1.724 12.683 5.939
149 H GLN 24 H GLN 24 -1.419 11.618 4.386
150 HA GLN 24 HA GLN 24 -0.024 12.643 2.036
151 HB2 GLN 24 1HB GLN 24 0.809 11.011 4.415
152 HB3 GLN 24 2HB GLN 24 1.822 11.083 2.979
153 HG2 GLN 24 1HG GLN 24 1.613 13.643 3.248
154 HG3 GLN 24 2HG GLN 24 1.106 13.261 4.893
155 HE21 GLN 24 1HE2 GLN 24 3.690 12.743 2.548
156 HE22 GLN 24 2HE2 GLN 24 4.962 12.605 3.710
157 H ASN 25 H ASN 25 0.469 11.444 0.259
158 HA ASN 25 HA ASN 25 -1.173 9.270 -0.416
159 HB2 ASN 25 1HB ASN 25 0.355 9.026 -2.388
160 HB3 ASN 25 2HB ASN 25 -0.257 10.660 -2.154
161 HD21 ASN 25 1HD2 ASN 25 2.479 8.714 -2.484
162 HD22 ASN 25 2HD2 ASN 25 3.677 9.916 -2.159
163 H SER 26 H SER 26 2.302 9.351 0.366
164 HA SER 26 HA SER 26 2.972 6.725 0.114
165 HB2 SER 26 1HB SER 26 4.675 8.259 0.745
166 HB3 SER 26 2HB SER 26 3.815 8.726 2.212
167 HG SER 26 HG SER 26 5.169 7.298 3.024
168 H HIS 27 H HIS 27 1.274 8.212 2.837
169 HA HIS 27 HA HIS 27 1.228 6.034 4.570
170 HB2 HIS 27 1HB HIS 27 -0.763 8.266 4.155
171 HB3 HIS 27 2HB HIS 27 -0.893 7.093 5.462
172 HD2 HIS 27 HD2 HIS 27 2.636 7.442 5.702
173 HE1 HIS 27 HE1 HIS 27 1.301 11.055 7.478
174 HE2 HIS 27 HE2 HIS 27 3.263 9.520 7.109
175 H LEU 28 H LEU 28 -1.103 6.946 2.046
176 HA LEU 28 HA LEU 28 -2.850 4.765 2.474
177 HB2 LEU 28 1HB LEU 28 -3.616 6.719 1.315
178 HB3 LEU 28 2HB LEU 28 -2.386 6.517 0.069
179 HG LEU 28 HG LEU 28 -3.512 4.535 -0.761
180 HD11 LEU 28 1HD1 LEU 28 -4.471 3.476 1.060
181 HD12 LEU 28 2HD1 LEU 28 -5.872 4.134 0.215
182 HD13 LEU 28 3HD1 LEU 28 -5.240 4.952 1.645
183 HD21 LEU 28 3HD2 LEU 28 -5.376 5.586 -1.758
184 HD22 LEU 28 1HD2 LEU 28 -4.200 6.868 -1.464
185 HD23 LEU 28 2HD2 LEU 28 -5.587 6.681 -0.391
186 H ALA 29 H ALA 29 -0.256 5.292 0.100
187 HA ALA 29 HA ALA 29 -0.486 2.882 -1.279
188 HB1 ALA 29 3HB ALA 29 1.576 4.948 -0.960
189 HB2 ALA 29 1HB ALA 29 2.179 3.356 -1.421
190 HB3 ALA 29 2HB ALA 29 0.967 4.163 -2.417
191 H ASN 30 H ASN 30 1.805 3.659 1.349
192 HA ASN 30 HA ASN 30 2.744 1.017 1.648
193 HB2 ASN 30 1HB ASN 30 3.982 2.992 2.455
194 HB3 ASN 30 2HB ASN 30 2.741 3.265 3.674
195 HD21 ASN 30 1HD2 ASN 30 4.976 0.773 2.521
196 HD22 ASN 30 2HD2 ASN 30 5.339 0.131 4.083
197 H HIS 31 H HIS 31 -0.121 2.573 2.709
198 HA HIS 31 HA HIS 31 -0.661 0.870 4.944
199 HB2 HIS 31 1HB HIS 31 -1.801 2.881 5.111
200 HB3 HIS 31 2HB HIS 31 -2.210 2.911 3.398
201 HD1 HIS 31 HD1 HIS 31 -3.244 1.228 6.618
202 HD2 HIS 31 HD2 HIS 31 -4.670 1.870 2.769
203 HE1 HIS 31 HE1 HIS 31 -5.628 0.429 6.643
204 H GLN 32 H GLN 32 -1.952 1.058 1.630
205 HA GLN 32 HA GLN 32 -3.751 -0.991 1.652
206 HB2 GLN 32 1HB GLN 32 -1.831 -0.119 -0.498
207 HB3 GLN 32 2HB GLN 32 -3.025 -1.380 -0.775
208 HG2 GLN 32 1HG GLN 32 -4.824 0.126 -0.406
209 HG3 GLN 32 2HG GLN 32 -3.730 1.381 0.176
210 HE21 GLN 32 1HE2 GLN 32 -5.607 1.703 -1.901
211 HE22 GLN 32 2HE2 GLN 32 -4.739 2.024 -3.359
212 H ARG 33 H ARG 33 -0.349 -1.223 2.031
213 HA ARG 33 HA ARG 33 0.263 -3.743 1.100
214 HB2 ARG 33 1HB ARG 33 1.242 -2.280 3.551
215 HB3 ARG 33 2HB ARG 33 1.925 -3.811 3.020
216 HG2 ARG 33 1HG ARG 33 2.233 -2.574 0.751
217 HG3 ARG 33 2HG ARG 33 2.087 -1.123 1.745
218 HD2 ARG 33 1HD ARG 33 4.370 -1.491 1.744
219 HD3 ARG 33 2HD ARG 33 3.863 -2.274 3.240
220 HE ARG 33 HE ARG 33 3.773 -4.292 1.460
221 HH11 ARG 33 1HH1 ARG 33 6.215 -1.933 2.231
222 HH12 ARG 33 2HH1 ARG 33 7.537 -2.976 1.824
223 HH21 ARG 33 1HH2 ARG 33 5.505 -5.675 0.921
224 HH22 ARG 33 2HH2 ARG 33 7.132 -5.104 1.078
225 H ILE 34 H ILE 34 -1.297 -2.842 4.141
226 HA ILE 34 HA ILE 34 -1.314 -5.337 5.382
227 HB ILE 34 HB ILE 34 -3.107 -4.540 6.757
228 HG12 ILE 34 1HG1 ILE 34 -3.484 -2.178 4.926
229 HG13 ILE 34 2HG1 ILE 34 -4.415 -3.659 4.726
230 HG21 ILE 34 1HG2 ILE 34 -0.882 -2.759 6.049
231 HG22 ILE 34 2HG2 ILE 34 -2.196 -1.995 6.941
232 HG23 ILE 34 3HG2 ILE 34 -1.371 -3.399 7.617
233 HD11 ILE 34 3HD1 ILE 34 -5.020 -1.498 6.357
234 HD12 ILE 34 1HD1 ILE 34 -5.807 -3.077 6.343
235 HD13 ILE 34 2HD1 ILE 34 -4.478 -2.763 7.460
236 H HIS 35 H HIS 35 -3.092 -4.199 2.668
237 HA HIS 35 HA HIS 35 -4.999 -6.417 2.851
238 HB2 HIS 35 1HB HIS 35 -4.942 -4.108 0.898
239 HB3 HIS 35 2HB HIS 35 -6.234 -5.292 1.076
240 HD1 HIS 35 HD1 HIS 35 -7.185 -5.297 3.742
241 HD2 HIS 35 HD2 HIS 35 -5.519 -1.820 2.194
242 HE1 HIS 35 HE1 HIS 35 -8.047 -3.434 5.195
243 H THR 36 H THR 36 -2.591 -7.426 2.420
244 HA THR 36 HA THR 36 -2.594 -8.091 -0.451
245 HB THR 36 HB THR 36 -0.126 -8.442 -0.277
246 HG1 THR 36 HG1 THR 36 -0.645 -7.454 2.312
247 HG21 THR 36 3HG2 THR 36 -1.125 -5.656 0.326
248 HG22 THR 36 1HG2 THR 36 -0.993 -6.397 -1.268
249 HG23 THR 36 2HG2 THR 36 0.462 -6.046 -0.335
250 H GLY 37 H GLY 37 -1.726 -9.178 2.815
251 HA2 GLY 37 1HA GLY 37 -2.623 -11.367 3.492
252 HA3 GLY 37 2HA GLY 37 -2.185 -11.948 1.892
253 H VAL 38 H VAL 38 0.128 -9.830 3.120
254 HA VAL 38 HA VAL 38 1.807 -12.102 3.959
255 HB VAL 38 HB VAL 38 2.642 -9.487 2.698
256 HG11 VAL 38 1HG1 VAL 38 4.527 -9.829 3.874
257 HG12 VAL 38 2HG1 VAL 38 4.138 -11.519 4.202
258 HG13 VAL 38 3HG1 VAL 38 4.850 -11.060 2.654
259 HG21 VAL 38 3HG2 VAL 38 2.664 -10.533 0.726
260 HG22 VAL 38 1HG2 VAL 38 3.456 -11.957 1.403
261 HG23 VAL 38 2HG2 VAL 38 1.703 -11.792 1.501
262 H LYS 39 H LYS 39 2.772 -12.054 5.908
263 HA LYS 39 HA LYS 39 2.322 -9.665 7.569
264 HB2 LYS 39 1HB LYS 39 2.246 -11.071 9.481
265 HB3 LYS 39 2HB LYS 39 1.245 -11.846 8.260
266 HG2 LYS 39 1HG LYS 39 4.092 -12.655 8.408
267 HG3 LYS 39 2HG LYS 39 3.015 -13.185 9.703
268 HD2 LYS 39 1HD LYS 39 2.087 -13.514 6.899
269 HD3 LYS 39 2HD LYS 39 3.351 -14.599 7.482
270 HE2 LYS 39 1HE LYS 39 1.796 -14.958 9.507
271 HE3 LYS 39 2HE LYS 39 0.545 -14.259 8.481
272 HZ1 LYS 39 3HZ LYS 39 0.333 -16.484 8.035
273 HZ2 LYS 39 1HZ LYS 39 1.990 -16.799 8.174
274 HZ3 LYS 39 2HZ LYS 39 1.389 -16.021 6.797
275 HA PRO 40 HA PRO 40 6.643 -8.986 7.965
276 HB2 PRO 40 1HB PRO 40 6.770 -7.954 10.473
277 HB3 PRO 40 2HB PRO 40 6.110 -7.060 9.099
278 HG2 PRO 40 1HG PRO 40 4.669 -8.567 11.246
279 HG3 PRO 40 2HG PRO 40 4.289 -6.984 10.544
280 HD2 PRO 40 1HD PRO 40 2.996 -9.248 9.816
281 HD3 PRO 40 2HD PRO 40 3.283 -7.908 8.687
282 H SER 41 H SER 41 8.515 -9.881 8.798
283 HA SER 41 HA SER 41 8.666 -12.447 9.560
284 HB2 SER 41 1HB SER 41 10.478 -10.289 10.669
285 HB3 SER 41 2HB SER 41 10.868 -12.002 10.517
286 HG SER 41 HG SER 41 11.731 -11.011 8.749
287 H GLY 42 H GLY 42 8.685 -13.674 11.435
288 HA2 GLY 42 1HA GLY 42 7.092 -12.598 13.603
289 HA3 GLY 42 2HA GLY 42 7.615 -14.265 13.417
290 HA PRO 43 HA PRO 43 10.874 -13.752 16.299
291 HB2 PRO 43 1HB PRO 43 13.047 -14.847 15.096
292 HB3 PRO 43 2HB PRO 43 11.690 -15.811 15.690
293 HG2 PRO 43 1HG PRO 43 12.287 -14.895 12.903
294 HG3 PRO 43 2HG PRO 43 11.718 -16.479 13.462
295 HD2 PRO 43 1HD PRO 43 10.058 -14.634 12.380
296 HD3 PRO 43 2HD PRO 43 9.531 -15.772 13.637
297 H SER 44 H SER 44 10.859 -11.400 16.121
298 HA SER 44 HA SER 44 13.458 -10.399 15.331
299 HB2 SER 44 1HB SER 44 12.421 -8.483 14.048
300 HB3 SER 44 2HB SER 44 12.326 -10.053 13.249
301 HG SER 44 HG SER 44 10.311 -8.474 14.322
302 H SER 45 H SER 45 13.641 -8.009 15.921
303 HA SER 45 HA SER 45 12.297 -7.623 18.503
304 HB2 SER 45 1HB SER 45 14.955 -6.799 17.405
305 HB3 SER 45 2HB SER 45 14.218 -5.818 18.672
306 HG SER 45 HG SER 45 15.388 -8.281 18.829
307 H GLY 46 H GLY 46 10.362 -6.777 17.578
308 HA2 GLY 46 1HA GLY 46 9.610 -4.334 17.709
309 HA3 GLY 46 2HA GLY 46 10.655 -4.131 16.310
Start of MODEL 12
1 H1 GLY 1 H GLY 1 -27.110 10.630 -16.371
2 HA2 GLY 1 1HA GLY 1 -25.174 11.753 -14.510
3 HA3 GLY 1 2HA GLY 1 -25.055 12.317 -16.170
4 H SER 2 H SER 2 -26.152 13.213 -13.288
5 HA SER 2 HA SER 2 -28.022 15.101 -14.418
6 HB2 SER 2 1HB SER 2 -28.937 13.128 -12.310
7 HB3 SER 2 2HB SER 2 -29.856 14.530 -12.858
8 HG SER 2 HG SER 2 -30.597 13.210 -14.311
9 H SER 3 H SER 3 -28.367 16.908 -13.107
10 HA SER 3 HA SER 3 -26.409 17.192 -10.953
11 HB2 SER 3 1HB SER 3 -27.927 19.159 -12.654
12 HB3 SER 3 2HB SER 3 -27.108 19.670 -11.177
13 HG SER 3 HG SER 3 -25.990 18.568 -13.526
14 H GLY 4 H GLY 4 -27.166 16.622 -9.013
15 HA2 GLY 4 1HA GLY 4 -28.911 18.032 -7.496
16 HA3 GLY 4 2HA GLY 4 -29.960 16.898 -8.335
17 H SER 5 H SER 5 -28.864 17.307 -5.455
18 HA SER 5 HA SER 5 -28.284 16.011 -3.674
19 HB2 SER 5 1HB SER 5 -30.394 14.850 -4.690
20 HB3 SER 5 2HB SER 5 -29.252 13.595 -5.172
21 HG SER 5 HG SER 5 -30.397 13.801 -2.867
22 H SER 6 H SER 6 -26.182 16.499 -5.407
23 HA SER 6 HA SER 6 -24.743 13.939 -5.549
24 HB2 SER 6 1HB SER 6 -24.966 15.424 -7.615
25 HB3 SER 6 2HB SER 6 -23.868 16.541 -6.805
26 HG SER 6 HG SER 6 -22.533 15.264 -7.933
27 H GLY 7 H GLY 7 -22.610 13.776 -4.740
28 HA2 GLY 7 1HA GLY 7 -21.795 15.924 -2.893
29 HA3 GLY 7 2HA GLY 7 -21.882 14.261 -2.331
30 H THR 8 H THR 8 -20.447 16.126 -5.009
31 HA THR 8 HA THR 8 -18.341 14.267 -5.438
32 HB THR 8 HB THR 8 -18.386 17.180 -6.245
33 HG1 THR 8 HG1 THR 8 -19.736 14.938 -7.227
34 HG21 THR 8 3HG2 THR 8 -16.928 16.411 -8.072
35 HG22 THR 8 1HG2 THR 8 -16.940 14.786 -7.388
36 HG23 THR 8 2HG2 THR 8 -16.206 16.115 -6.490
37 H GLY 9 H GLY 9 -16.432 14.053 -4.449
38 HA2 GLY 9 1HA GLY 9 -15.548 16.244 -2.672
39 HA3 GLY 9 2HA GLY 9 -15.442 14.554 -2.201
40 H GLU 10 H GLU 10 -14.321 13.235 -4.151
41 HA GLU 10 HA GLU 10 -12.407 12.807 -5.314
42 HB2 GLU 10 1HB GLU 10 -13.046 15.185 -6.268
43 HB3 GLU 10 2HB GLU 10 -11.631 15.692 -5.356
44 HG2 GLU 10 1HG GLU 10 -11.045 15.238 -7.655
45 HG3 GLU 10 2HG GLU 10 -10.262 14.082 -6.579
46 H LYS 11 H LYS 11 -12.384 12.608 -2.562
47 HA LYS 11 HA LYS 11 -10.560 13.889 -1.032
48 HB2 LYS 11 1HB LYS 11 -11.301 10.995 -1.225
49 HB3 LYS 11 2HB LYS 11 -10.007 11.480 -0.137
50 HG2 LYS 11 1HG LYS 11 -11.746 13.205 0.733
51 HG3 LYS 11 2HG LYS 11 -12.918 12.121 -0.021
52 HD2 LYS 11 1HD LYS 11 -12.416 10.373 1.414
53 HD3 LYS 11 2HD LYS 11 -10.820 11.018 1.805
54 HE2 LYS 11 1HE LYS 11 -12.203 11.322 3.720
55 HE3 LYS 11 2HE LYS 11 -11.969 12.905 2.982
56 HZ1 LYS 11 3HZ LYS 11 -14.147 12.654 1.913
57 HZ2 LYS 11 1HZ LYS 11 -14.261 12.617 3.600
58 HZ3 LYS 11 2HZ LYS 11 -14.372 11.181 2.714
59 HA PRO 12 HA PRO 12 -6.529 13.458 -2.717
60 HB2 PRO 12 1HB PRO 12 -5.020 13.295 -0.466
61 HB3 PRO 12 2HB PRO 12 -5.793 14.793 -0.999
62 HG2 PRO 12 1HG PRO 12 -6.689 12.836 1.081
63 HG3 PRO 12 2HG PRO 12 -6.696 14.608 1.136
64 HD2 PRO 12 1HD PRO 12 -8.919 13.158 0.599
65 HD3 PRO 12 2HD PRO 12 -8.634 14.764 -0.102
66 H TYR 13 H TYR 13 -6.992 11.255 0.056
67 HA TYR 13 HA TYR 13 -6.251 8.984 -1.574
68 HB2 TYR 13 1HB TYR 13 -4.621 9.501 0.907
69 HB3 TYR 13 2HB TYR 13 -4.338 8.304 -0.353
70 HD1 TYR 13 HD2 TYR 13 -3.391 8.978 -2.515
71 HD2 TYR 13 HD1 TYR 13 -3.911 11.786 0.639
72 HE1 TYR 13 HE2 TYR 13 -1.879 10.540 -3.664
73 HE2 TYR 13 HE1 TYR 13 -2.402 13.357 -0.502
74 HH TYR 13 HH TYR 13 -1.388 12.909 -3.736
75 H LYS 14 H LYS 14 -7.593 7.403 -1.050
76 HA LYS 14 HA LYS 14 -8.321 6.991 1.753
77 HB2 LYS 14 1HB LYS 14 -10.161 8.295 0.960
78 HB3 LYS 14 2HB LYS 14 -10.270 7.353 -0.521
79 HG2 LYS 14 1HG LYS 14 -10.699 5.379 1.173
80 HG3 LYS 14 2HG LYS 14 -11.216 6.705 2.218
81 HD2 LYS 14 1HD LYS 14 -12.877 7.393 0.658
82 HD3 LYS 14 2HD LYS 14 -12.240 6.319 -0.589
83 HE2 LYS 14 1HE LYS 14 -12.933 4.381 0.647
84 HE3 LYS 14 2HE LYS 14 -13.397 5.373 2.029
85 HZ1 LYS 14 3HZ LYS 14 -15.372 5.779 1.129
86 HZ2 LYS 14 1HZ LYS 14 -15.032 4.571 -0.006
87 HZ3 LYS 14 2HZ LYS 14 -14.710 6.190 -0.372
88 H CYS 15 H CYS 15 -8.163 4.918 2.306
89 HA CYS 15 HA CYS 15 -7.400 2.941 0.422
90 HB2 CYS 15 1HB CYS 15 -6.744 3.000 2.856
91 HB3 CYS 15 2HB CYS 15 -8.379 2.473 3.242
92 H ASN 16 H ASN 16 -8.769 2.159 -1.043
93 HA ASN 16 HA ASN 16 -11.599 1.931 -0.486
94 HB2 ASN 16 1HB ASN 16 -9.904 1.401 -2.922
95 HB3 ASN 16 2HB ASN 16 -11.612 0.976 -2.868
96 HD21 ASN 16 1HD2 ASN 16 -9.917 3.024 -4.350
97 HD22 ASN 16 2HD2 ASN 16 -10.795 4.499 -4.155
98 H GLU 17 H GLU 17 -9.488 0.222 0.861
99 HA GLU 17 HA GLU 17 -10.520 -2.421 0.077
100 HB2 GLU 17 1HB GLU 17 -8.006 -1.746 1.616
101 HB3 GLU 17 2HB GLU 17 -8.529 -3.361 1.161
102 HG2 GLU 17 1HG GLU 17 -8.148 -1.309 -0.962
103 HG3 GLU 17 2HG GLU 17 -6.738 -2.087 -0.245
104 H CYS 18 H CYS 18 -10.015 -0.214 2.754
105 HA CYS 18 HA CYS 18 -11.708 -1.952 4.425
106 HB2 CYS 18 1HB CYS 18 -10.467 -1.111 6.401
107 HB3 CYS 18 2HB CYS 18 -9.444 -2.025 5.297
108 H GLY 19 H GLY 19 -10.769 1.321 3.544
109 HA2 GLY 19 1HA GLY 19 -12.581 2.936 3.257
110 HA3 GLY 19 2HA GLY 19 -13.316 2.264 4.705
111 H LYS 20 H LYS 20 -9.921 3.114 4.194
112 HA LYS 20 HA LYS 20 -10.159 5.016 6.426
113 HB2 LYS 20 1HB LYS 20 -7.950 3.228 5.488
114 HB3 LYS 20 2HB LYS 20 -7.551 4.698 6.367
115 HG2 LYS 20 1HG LYS 20 -9.268 3.825 8.102
116 HG3 LYS 20 2HG LYS 20 -9.011 2.270 7.308
117 HD2 LYS 20 1HD LYS 20 -7.394 2.161 8.923
118 HD3 LYS 20 2HD LYS 20 -6.472 2.921 7.623
119 HE2 LYS 20 1HE LYS 20 -5.951 4.307 9.372
120 HE3 LYS 20 2HE LYS 20 -7.364 5.134 8.719
121 HZ1 LYS 20 3HZ LYS 20 -7.399 3.237 11.004
122 HZ2 LYS 20 1HZ LYS 20 -8.730 4.085 10.395
123 HZ3 LYS 20 2HZ LYS 20 -7.460 4.923 11.134
124 H VAL 21 H VAL 21 -8.480 6.821 6.324
125 HA VAL 21 HA VAL 21 -8.006 7.741 3.581
126 HB VAL 21 HB VAL 21 -9.328 9.421 5.718
127 HG11 VAL 21 1HG1 VAL 21 -9.235 10.506 3.025
128 HG12 VAL 21 2HG1 VAL 21 -8.811 11.259 4.563
129 HG13 VAL 21 3HG1 VAL 21 -7.629 10.264 3.711
130 HG21 VAL 21 3HG2 VAL 21 -10.669 7.651 4.373
131 HG22 VAL 21 1HG2 VAL 21 -11.307 9.289 4.523
132 HG23 VAL 21 2HG2 VAL 21 -10.498 8.789 3.037
133 H PHE 22 H PHE 22 -6.105 8.769 3.303
134 HA PHE 22 HA PHE 22 -4.591 9.530 5.712
135 HB2 PHE 22 1HB PHE 22 -3.372 8.312 3.231
136 HB3 PHE 22 2HB PHE 22 -2.567 8.656 4.758
137 HD1 PHE 22 HD1 PHE 22 -4.867 6.413 3.006
138 HD2 PHE 22 HD2 PHE 22 -2.824 7.201 6.656
139 HE1 PHE 22 HE1 PHE 22 -5.383 4.136 3.783
140 HE2 PHE 22 HE2 PHE 22 -3.337 4.925 7.438
141 HZ PHE 22 HZ PHE 22 -4.617 3.389 6.001
142 H THR 23 H THR 23 -3.807 11.537 5.704
143 HA THR 23 HA THR 23 -4.447 13.383 3.693
144 HB THR 23 HB THR 23 -2.866 14.923 4.881
145 HG1 THR 23 HG1 THR 23 -1.529 13.015 5.596
146 HG21 THR 23 3HG2 THR 23 -5.313 14.343 5.561
147 HG22 THR 23 1HG2 THR 23 -4.302 15.270 6.669
148 HG23 THR 23 2HG2 THR 23 -4.551 13.544 6.936
149 H GLN 24 H GLN 24 -1.643 11.371 4.185
150 HA GLN 24 HA GLN 24 -0.310 12.666 1.905
151 HB2 GLN 24 1HB GLN 24 0.825 10.907 4.085
152 HB3 GLN 24 2HB GLN 24 1.746 11.521 2.718
153 HG2 GLN 24 1HG GLN 24 0.298 13.409 4.521
154 HG3 GLN 24 2HG GLN 24 1.858 12.740 4.996
155 HE21 GLN 24 1HE2 GLN 24 0.215 15.006 3.042
156 HE22 GLN 24 2HE2 GLN 24 1.601 15.702 2.281
157 H ASN 25 H ASN 25 0.426 11.446 0.174
158 HA ASN 25 HA ASN 25 -1.125 9.201 -0.534
159 HB2 ASN 25 1HB ASN 25 0.058 9.195 -2.569
160 HB3 ASN 25 2HB ASN 25 0.064 10.884 -2.072
161 HD21 ASN 25 1HD2 ASN 25 1.993 11.681 -1.004
162 HD22 ASN 25 2HD2 ASN 25 3.527 11.009 -1.427
163 H SER 26 H SER 26 2.333 9.455 0.290
164 HA SER 26 HA SER 26 3.136 6.869 0.081
165 HB2 SER 26 1HB SER 26 4.790 8.403 0.734
166 HB3 SER 26 2HB SER 26 3.843 8.980 2.105
167 HG SER 26 HG SER 26 5.327 6.605 1.838
168 H HIS 27 H HIS 27 1.186 8.263 2.656
169 HA HIS 27 HA HIS 27 1.249 6.078 4.426
170 HB2 HIS 27 1HB HIS 27 -0.754 8.290 3.997
171 HB3 HIS 27 2HB HIS 27 -0.963 7.065 5.245
172 HD2 HIS 27 HD2 HIS 27 2.441 7.251 5.921
173 HE1 HIS 27 HE1 HIS 27 1.197 11.033 7.386
174 HE2 HIS 27 HE2 HIS 27 3.053 9.332 7.330
175 H LEU 28 H LEU 28 -1.106 6.952 1.906
176 HA LEU 28 HA LEU 28 -2.813 4.757 2.270
177 HB2 LEU 28 1HB LEU 28 -3.467 6.721 1.007
178 HB3 LEU 28 2HB LEU 28 -2.241 6.373 -0.210
179 HG LEU 28 HG LEU 28 -3.461 4.342 -0.847
180 HD11 LEU 28 1HD1 LEU 28 -4.490 4.039 1.442
181 HD12 LEU 28 2HD1 LEU 28 -5.555 3.756 0.066
182 HD13 LEU 28 3HD1 LEU 28 -5.669 5.264 0.972
183 HD21 LEU 28 3HD2 LEU 28 -5.421 6.610 -0.860
184 HD22 LEU 28 1HD2 LEU 28 -5.094 5.415 -2.115
185 HD23 LEU 28 2HD2 LEU 28 -3.921 6.691 -1.787
186 H ALA 29 H ALA 29 0.060 5.178 0.264
187 HA ALA 29 HA ALA 29 -0.155 2.697 -1.099
188 HB1 ALA 29 3HB ALA 29 1.938 4.777 -0.785
189 HB2 ALA 29 1HB ALA 29 2.439 3.180 -1.342
190 HB3 ALA 29 2HB ALA 29 1.231 4.091 -2.248
191 H ASN 30 H ASN 30 1.678 3.742 1.757
192 HA ASN 30 HA ASN 30 2.907 1.212 2.192
193 HB2 ASN 30 1HB ASN 30 3.761 3.425 3.046
194 HB3 ASN 30 2HB ASN 30 2.463 3.395 4.235
195 HD21 ASN 30 1HD2 ASN 30 3.451 3.061 6.106
196 HD22 ASN 30 2HD2 ASN 30 4.543 1.765 6.446
197 H HIS 31 H HIS 31 -0.245 2.196 2.529
198 HA HIS 31 HA HIS 31 -0.786 0.349 4.749
199 HB2 HIS 31 1HB HIS 31 -1.708 2.576 5.065
200 HB3 HIS 31 2HB HIS 31 -2.521 2.492 3.505
201 HD1 HIS 31 HD1 HIS 31 -2.560 0.613 6.814
202 HD2 HIS 31 HD2 HIS 31 -5.084 1.644 3.679
203 HE1 HIS 31 HE1 HIS 31 -4.840 -0.204 7.490
204 H GLN 32 H GLN 32 -2.346 1.301 1.681
205 HA GLN 32 HA GLN 32 -4.106 -0.665 1.261
206 HB2 GLN 32 1HB GLN 32 -2.242 0.728 -0.599
207 HB3 GLN 32 2HB GLN 32 -3.162 -0.634 -1.224
208 HG2 GLN 32 1HG GLN 32 -5.160 0.672 -0.078
209 HG3 GLN 32 2HG GLN 32 -4.083 2.041 -0.349
210 HE21 GLN 32 1HE2 GLN 32 -5.872 2.726 -1.745
211 HE22 GLN 32 2HE2 GLN 32 -5.907 2.161 -3.378
212 H ARG 33 H ARG 33 -0.616 -1.029 1.029
213 HA ARG 33 HA ARG 33 -0.340 -3.459 -0.191
214 HB2 ARG 33 1HB ARG 33 1.719 -3.748 1.041
215 HB3 ARG 33 2HB ARG 33 1.530 -2.049 0.627
216 HG2 ARG 33 1HG ARG 33 0.691 -1.625 2.912
217 HG3 ARG 33 2HG ARG 33 1.009 -3.315 3.308
218 HD2 ARG 33 1HD ARG 33 3.220 -1.723 2.127
219 HD3 ARG 33 2HD ARG 33 2.771 -1.392 3.800
220 HE ARG 33 HE ARG 33 3.593 -3.461 4.412
221 HH11 ARG 33 1HH1 ARG 33 3.523 -3.169 0.943
222 HH12 ARG 33 2HH1 ARG 33 4.478 -4.589 0.674
223 HH21 ARG 33 1HH2 ARG 33 4.850 -5.333 4.070
224 HH22 ARG 33 2HH2 ARG 33 5.231 -5.820 2.453
225 H ILE 34 H ILE 34 -1.016 -2.901 3.255
226 HA ILE 34 HA ILE 34 -1.001 -5.436 4.247
227 HB ILE 34 HB ILE 34 -2.457 -4.751 5.962
228 HG12 ILE 34 1HG1 ILE 34 -3.502 -2.579 4.134
229 HG13 ILE 34 2HG1 ILE 34 -4.333 -4.095 4.464
230 HG21 ILE 34 1HG2 ILE 34 -0.369 -3.136 5.143
231 HG22 ILE 34 2HG2 ILE 34 -1.679 -2.002 5.466
232 HG23 ILE 34 3HG2 ILE 34 -1.148 -3.117 6.725
233 HD11 ILE 34 3HD1 ILE 34 -4.941 -3.462 6.563
234 HD12 ILE 34 1HD1 ILE 34 -3.555 -2.391 6.765
235 HD13 ILE 34 2HD1 ILE 34 -4.918 -1.891 5.763
236 H HIS 35 H HIS 35 -3.359 -4.032 2.091
237 HA HIS 35 HA HIS 35 -5.133 -6.329 2.337
238 HB2 HIS 35 1HB HIS 35 -5.373 -3.897 0.554
239 HB3 HIS 35 2HB HIS 35 -6.623 -5.104 0.845
240 HD1 HIS 35 HD1 HIS 35 -7.464 -5.219 3.434
241 HD2 HIS 35 HD2 HIS 35 -5.444 -1.784 2.259
242 HE1 HIS 35 HE1 HIS 35 -8.020 -3.485 5.169
243 H THR 36 H THR 36 -2.720 -7.162 1.444
244 HA THR 36 HA THR 36 -3.225 -7.725 -1.405
245 HB THR 36 HB THR 36 -0.830 -7.841 -1.809
246 HG1 THR 36 HG1 THR 36 0.578 -7.095 -0.063
247 HG21 THR 36 3HG2 THR 36 -0.335 -5.342 -0.934
248 HG22 THR 36 1HG2 THR 36 -2.089 -5.380 -0.766
249 HG23 THR 36 2HG2 THR 36 -1.347 -5.698 -2.334
250 H GLY 37 H GLY 37 -1.811 -8.900 1.624
251 HA2 GLY 37 1HA GLY 37 -1.377 -11.557 0.645
252 HA3 GLY 37 2HA GLY 37 -1.288 -11.037 2.321
253 H VAL 38 H VAL 38 -3.829 -10.087 2.758
254 HA VAL 38 HA VAL 38 -5.261 -12.355 3.424
255 HB VAL 38 HB VAL 38 -6.408 -9.618 2.854
256 HG11 VAL 38 1HG1 VAL 38 -8.314 -10.233 4.032
257 HG12 VAL 38 2HG1 VAL 38 -7.958 -11.672 3.076
258 HG13 VAL 38 3HG1 VAL 38 -7.523 -11.618 4.784
259 HG21 VAL 38 3HG2 VAL 38 -5.976 -9.043 5.093
260 HG22 VAL 38 1HG2 VAL 38 -5.595 -10.708 5.533
261 HG23 VAL 38 2HG2 VAL 38 -4.485 -9.788 4.517
262 H LYS 39 H LYS 39 -6.589 -13.706 2.386
263 HA LYS 39 HA LYS 39 -6.887 -13.487 -0.459
264 HB2 LYS 39 1HB LYS 39 -8.015 -15.476 1.519
265 HB3 LYS 39 2HB LYS 39 -8.160 -15.618 -0.228
266 HG2 LYS 39 1HG LYS 39 -5.473 -15.377 1.065
267 HG3 LYS 39 2HG LYS 39 -6.307 -16.930 0.984
268 HD2 LYS 39 1HD LYS 39 -6.076 -15.310 -1.504
269 HD3 LYS 39 2HD LYS 39 -4.644 -16.159 -0.917
270 HE2 LYS 39 1HE LYS 39 -7.311 -17.494 -1.335
271 HE3 LYS 39 2HE LYS 39 -6.060 -17.421 -2.575
272 HZ1 LYS 39 3HZ LYS 39 -6.282 -19.192 -0.385
273 HZ2 LYS 39 1HZ LYS 39 -4.829 -18.333 -0.270
274 HZ3 LYS 39 2HZ LYS 39 -5.179 -19.221 -1.667
275 HA PRO 40 HA PRO 40 -10.747 -11.375 -0.612
276 HB2 PRO 40 1HB PRO 40 -11.612 -12.231 -3.039
277 HB3 PRO 40 2HB PRO 40 -10.311 -11.051 -2.845
278 HG2 PRO 40 1HG PRO 40 -10.138 -13.993 -3.372
279 HG3 PRO 40 2HG PRO 40 -9.207 -12.669 -4.098
280 HD2 PRO 40 1HD PRO 40 -8.219 -14.229 -2.118
281 HD3 PRO 40 2HD PRO 40 -7.777 -12.519 -2.298
282 H SER 41 H SER 41 -10.690 -14.834 -1.369
283 HA SER 41 HA SER 41 -13.380 -15.059 -0.185
284 HB2 SER 41 1HB SER 41 -13.395 -15.495 -2.626
285 HB3 SER 41 2HB SER 41 -12.220 -16.788 -2.384
286 HG SER 41 HG SER 41 -13.742 -17.915 -1.195
287 H GLY 42 H GLY 42 -13.738 -16.692 1.275
288 HA2 GLY 42 1HA GLY 42 -11.547 -17.643 2.758
289 HA3 GLY 42 2HA GLY 42 -13.202 -18.214 2.906
290 HA PRO 43 HA PRO 43 -10.242 -21.263 0.642
291 HB2 PRO 43 1HB PRO 43 -9.259 -22.687 2.733
292 HB3 PRO 43 2HB PRO 43 -8.437 -21.272 2.064
293 HG2 PRO 43 1HG PRO 43 -10.182 -21.479 4.487
294 HG3 PRO 43 2HG PRO 43 -8.654 -20.604 4.281
295 HD2 PRO 43 1HD PRO 43 -11.063 -19.371 4.183
296 HD3 PRO 43 2HD PRO 43 -9.670 -18.823 3.228
297 H SER 44 H SER 44 -12.339 -22.015 0.015
298 HA SER 44 HA SER 44 -13.363 -24.185 1.728
299 HB2 SER 44 1HB SER 44 -14.890 -22.281 -0.057
300 HB3 SER 44 2HB SER 44 -15.596 -23.743 0.633
301 HG SER 44 HG SER 44 -14.292 -22.011 2.380
302 H SER 45 H SER 45 -13.151 -23.039 -1.633
303 HA SER 45 HA SER 45 -12.756 -25.828 -2.471
304 HB2 SER 45 1HB SER 45 -14.496 -23.826 -3.932
305 HB3 SER 45 2HB SER 45 -14.179 -25.490 -4.425
306 HG SER 45 HG SER 45 -15.328 -26.219 -2.677
307 H GLY 46 H GLY 46 -11.624 -26.071 -4.502
308 HA2 GLY 46 1HA GLY 46 -9.875 -23.755 -5.052
309 HA3 GLY 46 2HA GLY 46 -9.369 -25.432 -5.190
Start of MODEL 13
1 H1 GLY 1 H GLY 1 -39.884 9.144 -4.541
2 HA2 GLY 1 1HA GLY 1 -38.869 7.689 -3.078
3 HA3 GLY 1 2HA GLY 1 -39.898 6.425 -3.734
4 H SER 2 H SER 2 -36.788 7.947 -3.854
5 HA SER 2 HA SER 2 -35.709 5.629 -5.226
6 HB2 SER 2 1HB SER 2 -35.725 8.389 -6.404
7 HB3 SER 2 2HB SER 2 -34.377 7.302 -6.738
8 HG SER 2 HG SER 2 -35.608 6.290 -8.093
9 H SER 3 H SER 3 -33.238 5.875 -5.408
10 HA SER 3 HA SER 3 -32.292 6.907 -2.834
11 HB2 SER 3 1HB SER 3 -31.933 4.471 -3.622
12 HB3 SER 3 2HB SER 3 -30.699 5.145 -4.686
13 HG SER 3 HG SER 3 -29.860 4.459 -2.651
14 H GLY 4 H GLY 4 -31.527 8.917 -2.925
15 HA2 GLY 4 1HA GLY 4 -30.596 10.181 -5.274
16 HA3 GLY 4 2HA GLY 4 -30.387 10.780 -3.635
17 H SER 5 H SER 5 -28.532 10.140 -2.440
18 HA SER 5 HA SER 5 -26.448 8.659 -3.804
19 HB2 SER 5 1HB SER 5 -26.382 11.179 -4.489
20 HB3 SER 5 2HB SER 5 -25.717 11.419 -2.873
21 HG SER 5 HG SER 5 -24.672 9.641 -4.826
22 H SER 6 H SER 6 -24.871 7.866 -2.426
23 HA SER 6 HA SER 6 -25.578 7.944 0.395
24 HB2 SER 6 1HB SER 6 -23.447 6.297 -0.987
25 HB3 SER 6 2HB SER 6 -24.071 6.057 0.645
26 HG SER 6 HG SER 6 -26.104 5.584 -0.287
27 H GLY 7 H GLY 7 -24.571 10.368 -0.502
28 HA2 GLY 7 1HA GLY 7 -23.084 11.978 0.193
29 HA3 GLY 7 2HA GLY 7 -22.476 10.813 1.359
30 H THR 8 H THR 8 -21.386 12.775 -0.860
31 HA THR 8 HA THR 8 -19.205 10.971 -1.627
32 HB THR 8 HB THR 8 -19.132 12.046 -3.890
33 HG1 THR 8 HG1 THR 8 -20.511 13.586 -4.323
34 HG21 THR 8 3HG2 THR 8 -20.112 9.810 -3.532
35 HG22 THR 8 1HG2 THR 8 -20.900 10.680 -4.848
36 HG23 THR 8 2HG2 THR 8 -21.688 10.559 -3.274
37 H GLY 9 H GLY 9 -17.262 12.160 -2.378
38 HA2 GLY 9 1HA GLY 9 -17.014 14.961 -1.939
39 HA3 GLY 9 2HA GLY 9 -16.414 14.060 -0.555
40 H GLU 10 H GLU 10 -14.842 15.754 -2.196
41 HA GLU 10 HA GLU 10 -13.248 13.955 -3.849
42 HB2 GLU 10 1HB GLU 10 -13.819 16.209 -4.696
43 HB3 GLU 10 2HB GLU 10 -12.931 16.921 -3.356
44 HG2 GLU 10 1HG GLU 10 -10.894 15.729 -4.199
45 HG3 GLU 10 2HG GLU 10 -11.828 15.295 -5.629
46 H LYS 11 H LYS 11 -12.090 12.656 -2.504
47 HA LYS 11 HA LYS 11 -10.461 13.929 -0.417
48 HB2 LYS 11 1HB LYS 11 -11.436 11.118 -0.840
49 HB3 LYS 11 2HB LYS 11 -10.072 11.444 0.221
50 HG2 LYS 11 1HG LYS 11 -12.748 12.778 0.535
51 HG3 LYS 11 2HG LYS 11 -12.316 11.265 1.337
52 HD2 LYS 11 1HD LYS 11 -10.370 12.426 2.357
53 HD3 LYS 11 2HD LYS 11 -10.944 13.935 1.643
54 HE2 LYS 11 1HE LYS 11 -12.896 13.933 2.966
55 HE3 LYS 11 2HE LYS 11 -12.666 12.251 3.441
56 HZ1 LYS 11 3HZ LYS 11 -11.575 14.639 4.597
57 HZ2 LYS 11 1HZ LYS 11 -10.397 13.461 4.299
58 HZ3 LYS 11 2HZ LYS 11 -11.736 13.093 5.264
59 HA PRO 12 HA PRO 12 -6.792 13.424 -2.796
60 HB2 PRO 12 1HB PRO 12 -4.971 13.385 -0.782
61 HB3 PRO 12 2HB PRO 12 -5.802 14.858 -1.298
62 HG2 PRO 12 1HG PRO 12 -6.399 13.059 1.019
63 HG3 PRO 12 2HG PRO 12 -6.385 14.831 0.953
64 HD2 PRO 12 1HD PRO 12 -8.673 13.387 0.845
65 HD3 PRO 12 2HD PRO 12 -8.482 14.937 0.001
66 H TYR 13 H TYR 13 -6.967 11.387 0.128
67 HA TYR 13 HA TYR 13 -6.277 9.057 -1.476
68 HB2 TYR 13 1HB TYR 13 -4.735 9.563 1.057
69 HB3 TYR 13 2HB TYR 13 -4.389 8.410 -0.227
70 HD1 TYR 13 HD2 TYR 13 -3.886 9.487 -2.579
71 HD2 TYR 13 HD1 TYR 13 -3.535 11.539 1.132
72 HE1 TYR 13 HE2 TYR 13 -2.356 11.104 -3.625
73 HE2 TYR 13 HE1 TYR 13 -2.005 13.163 0.096
74 HH TYR 13 HH TYR 13 -1.171 13.921 -1.857
75 H LYS 14 H LYS 14 -7.707 7.543 -0.993
76 HA LYS 14 HA LYS 14 -8.432 7.064 1.791
77 HB2 LYS 14 1HB LYS 14 -10.193 8.539 1.140
78 HB3 LYS 14 2HB LYS 14 -10.409 7.707 -0.395
79 HG2 LYS 14 1HG LYS 14 -10.974 5.660 1.122
80 HG3 LYS 14 2HG LYS 14 -11.284 6.903 2.337
81 HD2 LYS 14 1HD LYS 14 -12.923 7.951 0.922
82 HD3 LYS 14 2HD LYS 14 -12.527 6.864 -0.411
83 HE2 LYS 14 1HE LYS 14 -13.614 5.953 2.249
84 HE3 LYS 14 2HE LYS 14 -14.614 6.274 0.833
85 HZ1 LYS 14 3HZ LYS 14 -12.829 4.619 -0.214
86 HZ2 LYS 14 1HZ LYS 14 -14.272 4.088 0.492
87 HZ3 LYS 14 2HZ LYS 14 -12.832 4.043 1.377
88 H CYS 15 H CYS 15 -8.193 4.971 2.171
89 HA CYS 15 HA CYS 15 -7.854 3.077 0.066
90 HB2 CYS 15 1HB CYS 15 -6.759 3.043 2.378
91 HB3 CYS 15 2HB CYS 15 -8.290 2.409 2.974
92 H ASN 16 H ASN 16 -9.457 2.235 -1.078
93 HA ASN 16 HA ASN 16 -12.172 2.268 -0.159
94 HB2 ASN 16 1HB ASN 16 -12.097 2.558 -2.447
95 HB3 ASN 16 2HB ASN 16 -10.768 1.421 -2.655
96 HD21 ASN 16 1HD2 ASN 16 -11.464 -0.108 -3.967
97 HD22 ASN 16 2HD2 ASN 16 -12.952 -0.972 -3.814
98 H GLU 17 H GLU 17 -9.668 -0.179 -0.568
99 HA GLU 17 HA GLU 17 -11.000 -2.527 -0.329
100 HB2 GLU 17 1HB GLU 17 -8.402 -1.627 0.880
101 HB3 GLU 17 2HB GLU 17 -9.003 -3.256 1.159
102 HG2 GLU 17 1HG GLU 17 -8.616 -2.097 -1.585
103 HG3 GLU 17 2HG GLU 17 -7.364 -2.992 -0.725
104 H CYS 18 H CYS 18 -9.947 -0.551 2.446
105 HA CYS 18 HA CYS 18 -11.876 -2.005 4.122
106 HB2 CYS 18 1HB CYS 18 -10.582 -1.196 6.040
107 HB3 CYS 18 2HB CYS 18 -9.551 -2.068 4.909
108 H GLY 19 H GLY 19 -10.733 1.251 3.307
109 HA2 GLY 19 1HA GLY 19 -12.453 2.951 2.915
110 HA3 GLY 19 2HA GLY 19 -13.322 2.283 4.288
111 H LYS 20 H LYS 20 -9.881 3.084 3.956
112 HA LYS 20 HA LYS 20 -10.166 4.844 6.296
113 HB2 LYS 20 1HB LYS 20 -7.980 3.080 5.298
114 HB3 LYS 20 2HB LYS 20 -7.526 4.539 6.170
115 HG2 LYS 20 1HG LYS 20 -8.803 3.834 8.094
116 HG3 LYS 20 2HG LYS 20 -9.382 2.413 7.221
117 HD2 LYS 20 1HD LYS 20 -7.104 1.566 7.058
118 HD3 LYS 20 2HD LYS 20 -6.496 3.006 7.879
119 HE2 LYS 20 1HE LYS 20 -6.617 1.581 9.656
120 HE3 LYS 20 2HE LYS 20 -8.244 2.257 9.715
121 HZ1 LYS 20 3HZ LYS 20 -9.153 0.301 9.190
122 HZ2 LYS 20 1HZ LYS 20 -7.668 -0.372 9.641
123 HZ3 LYS 20 2HZ LYS 20 -7.992 -0.053 8.012
124 H VAL 21 H VAL 21 -8.629 6.716 6.351
125 HA VAL 21 HA VAL 21 -8.147 7.827 3.669
126 HB VAL 21 HB VAL 21 -9.354 9.328 5.997
127 HG11 VAL 21 1HG1 VAL 21 -9.048 11.282 4.897
128 HG12 VAL 21 2HG1 VAL 21 -7.682 10.408 4.201
129 HG13 VAL 21 3HG1 VAL 21 -9.196 10.536 3.306
130 HG21 VAL 21 3HG2 VAL 21 -11.383 9.044 5.082
131 HG22 VAL 21 1HG2 VAL 21 -10.775 9.253 3.440
132 HG23 VAL 21 2HG2 VAL 21 -10.642 7.685 4.237
133 H PHE 22 H PHE 22 -6.273 8.934 3.413
134 HA PHE 22 HA PHE 22 -4.646 9.442 5.811
135 HB2 PHE 22 1HB PHE 22 -3.530 8.409 3.201
136 HB3 PHE 22 2HB PHE 22 -2.672 8.615 4.724
137 HD1 PHE 22 HD1 PHE 22 -5.215 6.615 2.965
138 HD2 PHE 22 HD2 PHE 22 -2.741 6.955 6.412
139 HE1 PHE 22 HE1 PHE 22 -5.746 4.290 3.571
140 HE2 PHE 22 HE2 PHE 22 -3.268 4.630 7.023
141 HZ PHE 22 HZ PHE 22 -4.771 3.294 5.601
142 H THR 23 H THR 23 -3.222 11.201 5.698
143 HA THR 23 HA THR 23 -4.107 13.325 3.979
144 HB THR 23 HB THR 23 -1.752 13.362 5.871
145 HG1 THR 23 HG1 THR 23 -3.464 12.878 7.158
146 HG21 THR 23 3HG2 THR 23 -1.569 15.539 5.402
147 HG22 THR 23 1HG2 THR 23 -3.305 15.793 5.570
148 HG23 THR 23 2HG2 THR 23 -2.639 15.243 4.032
149 H GLN 24 H GLN 24 -1.186 11.357 4.295
150 HA GLN 24 HA GLN 24 -0.075 12.641 1.903
151 HB2 GLN 24 1HB GLN 24 1.171 10.889 4.020
152 HB3 GLN 24 2HB GLN 24 2.009 11.354 2.545
153 HG2 GLN 24 1HG GLN 24 2.113 13.594 3.162
154 HG3 GLN 24 2HG GLN 24 0.837 13.418 4.366
155 HE21 GLN 24 1HE2 GLN 24 2.052 14.272 6.024
156 HE22 GLN 24 2HE2 GLN 24 3.394 13.441 6.726
157 H ASN 25 H ASN 25 0.530 11.461 0.093
158 HA ASN 25 HA ASN 25 -1.091 9.256 -0.570
159 HB2 ASN 25 1HB ASN 25 -0.325 10.683 -2.330
160 HB3 ASN 25 2HB ASN 25 1.361 10.421 -1.893
161 HD21 ASN 25 1HD2 ASN 25 1.766 9.785 -4.044
162 HD22 ASN 25 2HD2 ASN 25 1.329 8.210 -4.605
163 H SER 26 H SER 26 2.279 9.501 0.455
164 HA SER 26 HA SER 26 3.094 6.884 -0.002
165 HB2 SER 26 1HB SER 26 4.785 7.282 1.755
166 HB3 SER 26 2HB SER 26 4.652 8.654 0.656
167 HG SER 26 HG SER 26 3.616 8.411 3.281
168 H HIS 27 H HIS 27 1.392 8.268 2.771
169 HA HIS 27 HA HIS 27 1.459 6.038 4.453
170 HB2 HIS 27 1HB HIS 27 -0.318 8.423 4.195
171 HB3 HIS 27 2HB HIS 27 -0.844 7.097 5.229
172 HD2 HIS 27 HD2 HIS 27 2.907 7.426 5.511
173 HE1 HIS 27 HE1 HIS 27 1.282 9.778 8.645
174 HE2 HIS 27 HE2 HIS 27 3.379 8.799 7.652
175 H LEU 28 H LEU 28 -0.979 7.000 2.051
176 HA LEU 28 HA LEU 28 -2.751 4.876 2.457
177 HB2 LEU 28 1HB LEU 28 -3.450 6.762 1.189
178 HB3 LEU 28 2HB LEU 28 -2.147 6.539 0.024
179 HG LEU 28 HG LEU 28 -3.232 4.486 -0.778
180 HD11 LEU 28 1HD1 LEU 28 -4.517 4.448 1.614
181 HD12 LEU 28 2HD1 LEU 28 -5.002 3.517 0.197
182 HD13 LEU 28 3HD1 LEU 28 -5.782 5.059 0.548
183 HD21 LEU 28 3HD2 LEU 28 -5.260 6.699 -0.791
184 HD22 LEU 28 1HD2 LEU 28 -4.870 5.548 -2.069
185 HD23 LEU 28 2HD2 LEU 28 -3.731 6.831 -1.662
186 H ALA 29 H ALA 29 -0.064 5.191 0.150
187 HA ALA 29 HA ALA 29 -0.366 2.677 -1.066
188 HB1 ALA 29 3HB ALA 29 1.095 3.761 -2.359
189 HB2 ALA 29 1HB ALA 29 1.625 4.802 -1.037
190 HB3 ALA 29 2HB ALA 29 2.328 3.195 -1.232
191 H ASN 30 H ASN 30 1.770 3.706 1.593
192 HA ASN 30 HA ASN 30 2.897 1.159 2.047
193 HB2 ASN 30 1HB ASN 30 3.841 3.350 2.842
194 HB3 ASN 30 2HB ASN 30 2.580 3.382 4.072
195 HD21 ASN 30 1HD2 ASN 30 2.895 2.320 5.920
196 HD22 ASN 30 2HD2 ASN 30 4.237 1.284 6.252
197 H HIS 31 H HIS 31 -0.216 2.239 2.540
198 HA HIS 31 HA HIS 31 -0.709 0.498 4.841
199 HB2 HIS 31 1HB HIS 31 -1.799 2.540 5.175
200 HB3 HIS 31 2HB HIS 31 -2.289 2.664 3.488
201 HD1 HIS 31 HD1 HIS 31 -3.104 0.628 6.583
202 HD2 HIS 31 HD2 HIS 31 -4.821 1.801 2.987
203 HE1 HIS 31 HE1 HIS 31 -5.492 -0.153 6.692
204 H GLN 32 H GLN 32 -2.081 1.090 1.602
205 HA GLN 32 HA GLN 32 -3.837 -0.993 1.418
206 HB2 GLN 32 1HB GLN 32 -2.010 0.107 -0.719
207 HB3 GLN 32 2HB GLN 32 -3.340 -0.996 -1.045
208 HG2 GLN 32 1HG GLN 32 -3.925 1.489 0.467
209 HG3 GLN 32 2HG GLN 32 -3.605 1.617 -1.262
210 HE21 GLN 32 1HE2 GLN 32 -5.888 2.424 -1.088
211 HE22 GLN 32 2HE2 GLN 32 -7.148 1.255 -1.266
212 H ARG 33 H ARG 33 -0.422 -1.179 1.635
213 HA ARG 33 HA ARG 33 0.204 -3.528 0.332
214 HB2 ARG 33 1HB ARG 33 2.124 -3.663 1.702
215 HB3 ARG 33 2HB ARG 33 1.763 -1.947 1.573
216 HG2 ARG 33 1HG ARG 33 1.070 -1.788 3.764
217 HG3 ARG 33 2HG ARG 33 0.698 -3.509 3.880
218 HD2 ARG 33 1HD ARG 33 3.519 -2.732 3.377
219 HD3 ARG 33 2HD ARG 33 2.865 -2.444 4.990
220 HE ARG 33 HE ARG 33 2.171 -5.006 4.511
221 HH11 ARG 33 1HH1 ARG 33 5.186 -3.281 4.271
222 HH12 ARG 33 2HH1 ARG 33 6.158 -4.668 4.637
223 HH21 ARG 33 1HH2 ARG 33 3.441 -6.839 4.994
224 HH22 ARG 33 2HH2 ARG 33 5.165 -6.691 5.048
225 H ILE 34 H ILE 34 -1.602 -3.066 3.263
226 HA ILE 34 HA ILE 34 -1.408 -5.769 4.182
227 HB ILE 34 HB ILE 34 -3.093 -5.192 5.801
228 HG12 ILE 34 1HG1 ILE 34 -3.441 -2.459 4.629
229 HG13 ILE 34 2HG1 ILE 34 -4.369 -3.801 3.967
230 HG21 ILE 34 1HG2 ILE 34 -1.082 -4.386 6.572
231 HG22 ILE 34 2HG2 ILE 34 -0.936 -3.201 5.275
232 HG23 ILE 34 3HG2 ILE 34 -2.068 -2.924 6.599
233 HD11 ILE 34 3HD1 ILE 34 -4.558 -2.477 6.610
234 HD12 ILE 34 1HD1 ILE 34 -5.830 -3.047 5.530
235 HD13 ILE 34 2HD1 ILE 34 -4.927 -4.199 6.514
236 H HIS 35 H HIS 35 -3.419 -4.066 1.939
237 HA HIS 35 HA HIS 35 -5.390 -6.219 1.864
238 HB2 HIS 35 1HB HIS 35 -5.276 -3.613 0.330
239 HB3 HIS 35 2HB HIS 35 -6.609 -4.763 0.294
240 HD1 HIS 35 HD1 HIS 35 -7.300 -5.306 3.084
241 HD2 HIS 35 HD2 HIS 35 -6.001 -1.544 1.891
242 HE1 HIS 35 HE1 HIS 35 -8.142 -3.715 4.840
243 H THR 36 H THR 36 -3.535 -4.409 -0.591
244 HA THR 36 HA THR 36 -3.873 -6.098 -2.723
245 HB THR 36 HB THR 36 -2.748 -3.964 -2.977
246 HG1 THR 36 HG1 THR 36 -0.844 -5.951 -3.675
247 HG21 THR 36 3HG2 THR 36 -1.031 -5.033 -0.907
248 HG22 THR 36 1HG2 THR 36 -1.228 -3.368 -1.453
249 HG23 THR 36 2HG2 THR 36 -0.094 -4.438 -2.277
250 H GLY 37 H GLY 37 -2.762 -7.859 -3.593
251 HA2 GLY 37 1HA GLY 37 -0.731 -9.306 -3.365
252 HA3 GLY 37 2HA GLY 37 -1.095 -9.331 -1.646
253 H VAL 38 H VAL 38 -3.809 -9.734 -1.639
254 HA VAL 38 HA VAL 38 -3.957 -12.532 -2.165
255 HB VAL 38 HB VAL 38 -6.163 -10.619 -1.388
256 HG11 VAL 38 1HG1 VAL 38 -6.098 -13.605 -1.026
257 HG12 VAL 38 2HG1 VAL 38 -7.460 -12.508 -0.786
258 HG13 VAL 38 3HG1 VAL 38 -6.853 -12.820 -2.413
259 HG21 VAL 38 3HG2 VAL 38 -4.698 -10.489 0.390
260 HG22 VAL 38 1HG2 VAL 38 -5.721 -11.842 0.874
261 HG23 VAL 38 2HG2 VAL 38 -4.128 -12.145 0.179
262 H LYS 39 H LYS 39 -5.010 -13.639 -3.748
263 HA LYS 39 HA LYS 39 -5.157 -12.869 -6.297
264 HB2 LYS 39 1HB LYS 39 -7.194 -14.606 -4.893
265 HB3 LYS 39 2HB LYS 39 -7.013 -14.503 -6.639
266 HG2 LYS 39 1HG LYS 39 -5.048 -15.675 -6.646
267 HG3 LYS 39 2HG LYS 39 -4.632 -15.202 -4.998
268 HD2 LYS 39 1HD LYS 39 -6.225 -16.724 -4.080
269 HD3 LYS 39 2HD LYS 39 -6.910 -17.056 -5.673
270 HE2 LYS 39 1HE LYS 39 -5.570 -18.900 -5.371
271 HE3 LYS 39 2HE LYS 39 -4.475 -17.822 -6.234
272 HZ1 LYS 39 3HZ LYS 39 -3.079 -17.928 -4.538
273 HZ2 LYS 39 1HZ LYS 39 -4.118 -18.986 -3.724
274 HZ3 LYS 39 2HZ LYS 39 -4.253 -17.317 -3.484
275 HA PRO 40 HA PRO 40 -8.126 -9.653 -6.761
276 HB2 PRO 40 1HB PRO 40 -8.669 -9.941 -9.405
277 HB3 PRO 40 2HB PRO 40 -7.154 -9.255 -8.805
278 HG2 PRO 40 1HG PRO 40 -7.726 -12.032 -9.765
279 HG3 PRO 40 2HG PRO 40 -6.324 -11.000 -10.099
280 HD2 PRO 40 1HD PRO 40 -6.266 -12.985 -8.258
281 HD3 PRO 40 2HD PRO 40 -5.323 -11.491 -8.081
282 H SER 41 H SER 41 -10.167 -9.687 -6.086
283 HA SER 41 HA SER 41 -12.148 -11.298 -7.444
284 HB2 SER 41 1HB SER 41 -11.058 -12.678 -5.515
285 HB3 SER 41 2HB SER 41 -12.017 -11.638 -4.462
286 HG SER 41 HG SER 41 -13.676 -12.406 -6.294
287 H GLY 42 H GLY 42 -14.333 -10.714 -6.876
288 HA2 GLY 42 1HA GLY 42 -15.796 -9.312 -5.487
289 HA3 GLY 42 2HA GLY 42 -14.505 -8.119 -5.472
290 HA PRO 43 HA PRO 43 -17.564 -7.673 -9.153
291 HB2 PRO 43 1HB PRO 43 -19.376 -5.954 -8.089
292 HB3 PRO 43 2HB PRO 43 -19.574 -7.709 -8.040
293 HG2 PRO 43 1HG PRO 43 -18.577 -5.855 -5.911
294 HG3 PRO 43 2HG PRO 43 -19.696 -7.224 -5.769
295 HD2 PRO 43 1HD PRO 43 -17.080 -7.404 -5.092
296 HD3 PRO 43 2HD PRO 43 -17.993 -8.776 -5.751
297 H SER 44 H SER 44 -17.500 -5.896 -10.519
298 HA SER 44 HA SER 44 -16.340 -4.111 -11.403
299 HB2 SER 44 1HB SER 44 -18.499 -3.291 -10.122
300 HB3 SER 44 2HB SER 44 -17.318 -2.515 -9.067
301 HG SER 44 HG SER 44 -16.703 -1.221 -10.670
302 H SER 45 H SER 45 -14.592 -5.640 -9.889
303 HA SER 45 HA SER 45 -13.082 -3.786 -8.217
304 HB2 SER 45 1HB SER 45 -13.537 -6.283 -7.670
305 HB3 SER 45 2HB SER 45 -12.251 -6.612 -8.830
306 HG SER 45 HG SER 45 -11.950 -6.026 -6.320
307 H GLY 46 H GLY 46 -10.891 -3.272 -8.597
308 HA2 GLY 46 1HA GLY 46 -9.609 -4.076 -11.051
309 HA3 GLY 46 2HA GLY 46 -10.167 -2.410 -11.067
Start of MODEL 14
1 H1 GLY 1 H GLY 1 -31.365 11.688 -15.552
2 HA2 GLY 1 1HA GLY 1 -29.817 12.539 -13.919
3 HA3 GLY 1 2HA GLY 1 -31.064 12.339 -12.696
4 H SER 2 H SER 2 -28.778 11.367 -11.935
5 HA SER 2 HA SER 2 -28.870 8.478 -12.505
6 HB2 SER 2 1HB SER 2 -26.746 9.426 -13.190
7 HB3 SER 2 2HB SER 2 -26.542 10.198 -11.617
8 HG SER 2 HG SER 2 -26.933 7.444 -11.634
9 H SER 3 H SER 3 -27.982 10.756 -9.908
10 HA SER 3 HA SER 3 -28.162 10.624 -7.642
11 HB2 SER 3 1HB SER 3 -30.612 10.528 -8.438
12 HB3 SER 3 2HB SER 3 -30.531 8.809 -8.054
13 HG SER 3 HG SER 3 -29.663 9.695 -5.928
14 H GLY 4 H GLY 4 -26.351 8.826 -8.733
15 HA2 GLY 4 1HA GLY 4 -26.334 6.804 -6.645
16 HA3 GLY 4 2HA GLY 4 -26.395 6.189 -8.290
17 H SER 5 H SER 5 -24.629 8.924 -6.854
18 HA SER 5 HA SER 5 -22.337 8.717 -8.343
19 HB2 SER 5 1HB SER 5 -23.077 10.420 -6.461
20 HB3 SER 5 2HB SER 5 -22.056 9.404 -5.445
21 HG SER 5 HG SER 5 -21.304 11.309 -7.119
22 H SER 6 H SER 6 -21.369 6.810 -8.726
23 HA SER 6 HA SER 6 -20.341 5.333 -6.396
24 HB2 SER 6 1HB SER 6 -22.269 4.161 -7.528
25 HB3 SER 6 2HB SER 6 -21.257 4.028 -8.966
26 HG SER 6 HG SER 6 -20.184 3.152 -6.547
27 H GLY 7 H GLY 7 -18.381 6.527 -6.682
28 HA2 GLY 7 1HA GLY 7 -16.251 5.343 -7.738
29 HA3 GLY 7 2HA GLY 7 -16.912 6.124 -9.168
30 H THR 8 H THR 8 -17.534 8.541 -8.663
31 HA THR 8 HA THR 8 -15.081 9.859 -8.069
32 HB THR 8 HB THR 8 -16.374 11.958 -8.387
33 HG1 THR 8 HG1 THR 8 -18.621 11.442 -9.244
34 HG21 THR 8 3HG2 THR 8 -16.803 11.655 -10.731
35 HG22 THR 8 1HG2 THR 8 -16.978 9.913 -10.523
36 HG23 THR 8 2HG2 THR 8 -15.403 10.674 -10.298
37 H GLY 9 H GLY 9 -14.338 10.583 -6.183
38 HA2 GLY 9 1HA GLY 9 -16.275 10.961 -3.983
39 HA3 GLY 9 2HA GLY 9 -14.724 10.174 -3.733
40 H GLU 10 H GLU 10 -15.182 12.191 -2.105
41 HA GLU 10 HA GLU 10 -13.788 14.510 -3.269
42 HB2 GLU 10 1HB GLU 10 -15.870 14.251 -1.144
43 HB3 GLU 10 2HB GLU 10 -14.716 15.573 -1.034
44 HG2 GLU 10 1HG GLU 10 -15.389 16.403 -3.191
45 HG3 GLU 10 2HG GLU 10 -16.458 15.021 -3.424
46 H LYS 11 H LYS 11 -12.198 12.408 -2.626
47 HA LYS 11 HA LYS 11 -10.685 13.487 -0.372
48 HB2 LYS 11 1HB LYS 11 -12.154 11.538 0.378
49 HB3 LYS 11 2HB LYS 11 -11.137 10.518 -0.630
50 HG2 LYS 11 1HG LYS 11 -10.305 10.341 1.571
51 HG3 LYS 11 2HG LYS 11 -9.168 11.362 0.687
52 HD2 LYS 11 1HD LYS 11 -9.410 12.588 2.608
53 HD3 LYS 11 2HD LYS 11 -10.695 13.294 1.625
54 HE2 LYS 11 1HE LYS 11 -12.361 12.269 2.827
55 HE3 LYS 11 2HE LYS 11 -11.326 10.933 3.328
56 HZ1 LYS 11 3HZ LYS 11 -10.292 13.303 4.401
57 HZ2 LYS 11 1HZ LYS 11 -10.953 11.981 5.224
58 HZ3 LYS 11 2HZ LYS 11 -11.948 13.261 4.744
59 HA PRO 12 HA PRO 12 -7.389 12.944 -3.260
60 HB2 PRO 12 1HB PRO 12 -5.321 13.303 -1.537
61 HB3 PRO 12 2HB PRO 12 -6.327 14.634 -2.121
62 HG2 PRO 12 1HG PRO 12 -6.468 13.151 0.476
63 HG3 PRO 12 2HG PRO 12 -6.604 14.893 0.173
64 HD2 PRO 12 1HD PRO 12 -8.765 13.313 0.584
65 HD3 PRO 12 2HD PRO 12 -8.810 14.736 -0.477
66 H TYR 13 H TYR 13 -6.923 11.374 -0.086
67 HA TYR 13 HA TYR 13 -6.071 8.945 -1.509
68 HB2 TYR 13 1HB TYR 13 -4.816 9.885 1.070
69 HB3 TYR 13 2HB TYR 13 -4.288 8.563 0.035
70 HD1 TYR 13 HD2 TYR 13 -3.812 9.376 -2.498
71 HD2 TYR 13 HD1 TYR 13 -3.579 11.822 0.975
72 HE1 TYR 13 HE2 TYR 13 -2.295 10.906 -3.685
73 HE2 TYR 13 HE1 TYR 13 -2.062 13.360 -0.202
74 HH TYR 13 HH TYR 13 -1.492 13.991 -2.489
75 H LYS 14 H LYS 14 -7.607 7.494 -1.130
76 HA LYS 14 HA LYS 14 -8.396 6.981 1.640
77 HB2 LYS 14 1HB LYS 14 -10.165 8.404 0.790
78 HB3 LYS 14 2HB LYS 14 -10.334 7.397 -0.642
79 HG2 LYS 14 1HG LYS 14 -10.866 5.510 1.047
80 HG3 LYS 14 2HG LYS 14 -11.169 6.837 2.170
81 HD2 LYS 14 1HD LYS 14 -12.933 7.678 0.878
82 HD3 LYS 14 2HD LYS 14 -12.438 6.765 -0.550
83 HE2 LYS 14 1HE LYS 14 -13.275 5.350 1.953
84 HE3 LYS 14 2HE LYS 14 -14.483 5.962 0.824
85 HZ1 LYS 14 3HZ LYS 14 -13.791 3.601 0.476
86 HZ2 LYS 14 1HZ LYS 14 -12.267 4.169 0.008
87 HZ3 LYS 14 2HZ LYS 14 -13.638 4.590 -0.888
88 H CYS 15 H CYS 15 -8.293 4.883 2.101
89 HA CYS 15 HA CYS 15 -7.704 2.982 0.022
90 HB2 CYS 15 1HB CYS 15 -6.674 3.011 2.349
91 HB3 CYS 15 2HB CYS 15 -8.206 2.372 2.935
92 H ASN 16 H ASN 16 -9.239 2.077 -1.168
93 HA ASN 16 HA ASN 16 -11.982 2.020 -0.357
94 HB2 ASN 16 1HB ASN 16 -10.451 1.099 -2.760
95 HB3 ASN 16 2HB ASN 16 -12.094 0.515 -2.515
96 HD21 ASN 16 1HD2 ASN 16 -11.941 1.800 -4.700
97 HD22 ASN 16 2HD2 ASN 16 -12.499 3.432 -4.597
98 H GLU 17 H GLU 17 -9.338 -0.275 -0.413
99 HA GLU 17 HA GLU 17 -10.607 -2.692 -0.207
100 HB2 GLU 17 1HB GLU 17 -8.080 -1.614 0.966
101 HB3 GLU 17 2HB GLU 17 -8.641 -3.198 1.483
102 HG2 GLU 17 1HG GLU 17 -7.151 -3.609 -0.271
103 HG3 GLU 17 2HG GLU 17 -8.756 -3.804 -0.972
104 H CYS 18 H CYS 18 -9.674 -0.658 2.574
105 HA CYS 18 HA CYS 18 -11.661 -2.085 4.198
106 HB2 CYS 18 1HB CYS 18 -10.470 -1.145 6.141
107 HB3 CYS 18 2HB CYS 18 -9.397 -2.082 5.107
108 H GLY 19 H GLY 19 -10.543 1.189 3.393
109 HA2 GLY 19 1HA GLY 19 -12.283 2.837 2.862
110 HA3 GLY 19 2HA GLY 19 -13.209 2.173 4.200
111 H LYS 20 H LYS 20 -9.784 3.093 3.997
112 HA LYS 20 HA LYS 20 -10.219 4.846 6.317
113 HB2 LYS 20 1HB LYS 20 -7.858 3.275 5.344
114 HB3 LYS 20 2HB LYS 20 -7.611 4.676 6.379
115 HG2 LYS 20 1HG LYS 20 -9.233 3.594 7.995
116 HG3 LYS 20 2HG LYS 20 -9.082 2.136 7.011
117 HD2 LYS 20 1HD LYS 20 -6.830 1.862 7.545
118 HD3 LYS 20 2HD LYS 20 -6.648 3.543 8.052
119 HE2 LYS 20 1HE LYS 20 -6.642 2.200 10.019
120 HE3 LYS 20 2HE LYS 20 -8.191 3.040 9.960
121 HZ1 LYS 20 3HZ LYS 20 -8.613 0.799 10.549
122 HZ2 LYS 20 1HZ LYS 20 -7.657 0.202 9.287
123 HZ3 LYS 20 2HZ LYS 20 -9.120 0.977 8.945
124 H VAL 21 H VAL 21 -8.316 6.600 6.339
125 HA VAL 21 HA VAL 21 -8.004 7.793 3.688
126 HB VAL 21 HB VAL 21 -9.173 9.315 6.022
127 HG11 VAL 21 1HG1 VAL 21 -9.445 11.121 4.323
128 HG12 VAL 21 2HG1 VAL 21 -7.766 10.751 4.719
129 HG13 VAL 21 3HG1 VAL 21 -8.469 10.157 3.215
130 HG21 VAL 21 3HG2 VAL 21 -11.214 9.434 4.734
131 HG22 VAL 21 1HG2 VAL 21 -10.469 8.536 3.412
132 HG23 VAL 21 2HG2 VAL 21 -10.762 7.744 4.960
133 H PHE 22 H PHE 22 -6.279 9.248 3.513
134 HA PHE 22 HA PHE 22 -4.623 9.688 5.880
135 HB2 PHE 22 1HB PHE 22 -3.459 8.565 3.328
136 HB3 PHE 22 2HB PHE 22 -2.620 8.850 4.849
137 HD1 PHE 22 HD1 PHE 22 -5.014 6.697 3.094
138 HD2 PHE 22 HD2 PHE 22 -2.785 7.306 6.668
139 HE1 PHE 22 HE1 PHE 22 -5.518 4.393 3.797
140 HE2 PHE 22 HE2 PHE 22 -3.284 5.003 7.376
141 HZ PHE 22 HZ PHE 22 -4.651 3.543 5.940
142 H THR 23 H THR 23 -3.098 11.398 5.652
143 HA THR 23 HA THR 23 -4.010 13.463 3.848
144 HB THR 23 HB THR 23 -3.375 13.885 6.259
145 HG1 THR 23 HG1 THR 23 -2.071 15.837 5.557
146 HG21 THR 23 3HG2 THR 23 -1.184 12.487 5.873
147 HG22 THR 23 1HG2 THR 23 -1.187 13.860 6.980
148 HG23 THR 23 2HG2 THR 23 -0.536 14.041 5.351
149 H GLN 24 H GLN 24 -1.176 11.423 4.255
150 HA GLN 24 HA GLN 24 0.058 12.672 1.901
151 HB2 GLN 24 1HB GLN 24 1.255 12.255 4.213
152 HB3 GLN 24 2HB GLN 24 1.464 10.631 3.572
153 HG2 GLN 24 1HG GLN 24 3.403 12.077 3.161
154 HG3 GLN 24 2HG GLN 24 2.668 11.482 1.673
155 HE21 GLN 24 1HE2 GLN 24 2.980 13.006 0.206
156 HE22 GLN 24 2HE2 GLN 24 2.611 14.683 0.398
157 H ASN 25 H ASN 25 0.625 11.480 0.105
158 HA ASN 25 HA ASN 25 -1.009 9.321 -0.598
159 HB2 ASN 25 1HB ASN 25 0.773 9.033 -2.469
160 HB3 ASN 25 2HB ASN 25 -0.167 10.521 -2.413
161 HD21 ASN 25 1HD2 ASN 25 0.839 12.428 -2.052
162 HD22 ASN 25 2HD2 ASN 25 2.550 12.599 -1.881
163 H SER 26 H SER 26 2.433 9.367 0.306
164 HA SER 26 HA SER 26 3.049 6.707 0.038
165 HB2 SER 26 1HB SER 26 4.742 7.058 1.810
166 HB3 SER 26 2HB SER 26 4.716 8.386 0.650
167 HG SER 26 HG SER 26 4.782 9.132 2.814
168 H HIS 27 H HIS 27 1.535 8.289 2.830
169 HA HIS 27 HA HIS 27 1.421 6.168 4.589
170 HB2 HIS 27 1HB HIS 27 -0.453 8.472 4.107
171 HB3 HIS 27 2HB HIS 27 -0.778 7.281 5.363
172 HD2 HIS 27 HD2 HIS 27 2.928 8.292 4.966
173 HE1 HIS 27 HE1 HIS 27 1.389 10.313 8.363
174 HE2 HIS 27 HE2 HIS 27 3.444 9.807 6.997
175 H LEU 28 H LEU 28 -1.081 7.080 2.216
176 HA LEU 28 HA LEU 28 -2.779 4.907 2.678
177 HB2 LEU 28 1HB LEU 28 -3.637 6.738 1.472
178 HB3 LEU 28 2HB LEU 28 -2.333 6.670 0.288
179 HG LEU 28 HG LEU 28 -3.282 4.542 -0.564
180 HD11 LEU 28 1HD1 LEU 28 -4.448 3.932 1.548
181 HD12 LEU 28 2HD1 LEU 28 -5.460 3.812 0.108
182 HD13 LEU 28 3HD1 LEU 28 -5.638 5.186 1.199
183 HD21 LEU 28 3HD2 LEU 28 -5.242 6.834 -0.560
184 HD22 LEU 28 1HD2 LEU 28 -5.107 5.557 -1.769
185 HD23 LEU 28 2HD2 LEU 28 -3.807 6.734 -1.582
186 H ALA 29 H ALA 29 -0.403 5.334 0.049
187 HA ALA 29 HA ALA 29 -0.627 2.888 -1.175
188 HB1 ALA 29 3HB ALA 29 1.274 5.020 -1.146
189 HB2 ALA 29 1HB ALA 29 2.130 3.477 -1.143
190 HB3 ALA 29 2HB ALA 29 0.955 3.832 -2.410
191 H ASN 30 H ASN 30 1.777 3.671 1.349
192 HA ASN 30 HA ASN 30 2.786 1.120 1.712
193 HB2 ASN 30 1HB ASN 30 3.905 2.970 2.731
194 HB3 ASN 30 2HB ASN 30 2.476 3.401 3.667
195 HD21 ASN 30 1HD2 ASN 30 4.392 0.460 3.115
196 HD22 ASN 30 2HD2 ASN 30 4.561 0.056 4.786
197 H HIS 31 H HIS 31 -0.115 2.587 3.045
198 HA HIS 31 HA HIS 31 -0.691 0.572 4.946
199 HB2 HIS 31 1HB HIS 31 -1.850 2.560 5.312
200 HB3 HIS 31 2HB HIS 31 -2.295 2.729 3.616
201 HD1 HIS 31 HD1 HIS 31 -3.184 0.653 6.656
202 HD2 HIS 31 HD2 HIS 31 -4.768 1.761 2.978
203 HE1 HIS 31 HE1 HIS 31 -5.551 -0.194 6.661
204 H GLN 32 H GLN 32 -2.127 1.182 1.736
205 HA GLN 32 HA GLN 32 -3.831 -0.879 1.453
206 HB2 GLN 32 1HB GLN 32 -1.928 0.371 -0.487
207 HB3 GLN 32 2HB GLN 32 -2.879 -1.018 -0.995
208 HG2 GLN 32 1HG GLN 32 -4.931 0.170 -0.462
209 HG3 GLN 32 2HG GLN 32 -3.995 1.555 0.097
210 HE21 GLN 32 1HE2 GLN 32 -5.977 1.446 -2.003
211 HE22 GLN 32 2HE2 GLN 32 -5.187 1.951 -3.453
212 H ARG 33 H ARG 33 -0.387 -1.134 1.715
213 HA ARG 33 HA ARG 33 0.173 -3.574 0.581
214 HB2 ARG 33 1HB ARG 33 1.241 -2.452 3.178
215 HB3 ARG 33 2HB ARG 33 1.956 -3.795 2.297
216 HG2 ARG 33 1HG ARG 33 1.582 -1.076 1.079
217 HG3 ARG 33 2HG ARG 33 3.032 -1.537 1.974
218 HD2 ARG 33 1HD ARG 33 2.031 -3.241 -0.273
219 HD3 ARG 33 2HD ARG 33 2.983 -1.795 -0.609
220 HE ARG 33 HE ARG 33 3.944 -4.284 0.401
221 HH11 ARG 33 1HH1 ARG 33 4.468 -0.842 0.458
222 HH12 ARG 33 2HH1 ARG 33 6.156 -0.974 0.822
223 HH21 ARG 33 1HH2 ARG 33 6.166 -4.470 0.880
224 HH22 ARG 33 2HH2 ARG 33 7.122 -3.038 1.061
225 H ILE 34 H ILE 34 -1.069 -2.965 3.856
226 HA ILE 34 HA ILE 34 -1.125 -5.543 4.830
227 HB ILE 34 HB ILE 34 -2.873 -4.859 6.342
228 HG12 ILE 34 1HG1 ILE 34 -3.224 -2.228 4.976
229 HG13 ILE 34 2HG1 ILE 34 -4.074 -3.625 4.325
230 HG21 ILE 34 1HG2 ILE 34 -0.500 -3.324 5.853
231 HG22 ILE 34 2HG2 ILE 34 -1.760 -2.292 6.529
232 HG23 ILE 34 3HG2 ILE 34 -1.259 -3.749 7.387
233 HD11 ILE 34 3HD1 ILE 34 -4.565 -3.742 7.044
234 HD12 ILE 34 1HD1 ILE 34 -4.656 -2.025 6.655
235 HD13 ILE 34 2HD1 ILE 34 -5.672 -3.179 5.792
236 H HIS 35 H HIS 35 -2.989 -4.189 2.293
237 HA HIS 35 HA HIS 35 -5.019 -6.280 2.427
238 HB2 HIS 35 1HB HIS 35 -4.693 -3.933 0.547
239 HB3 HIS 35 2HB HIS 35 -6.030 -5.079 0.495
240 HD1 HIS 35 HD1 HIS 35 -6.867 -5.266 3.373
241 HD2 HIS 35 HD2 HIS 35 -5.762 -1.680 1.588
242 HE1 HIS 35 HE1 HIS 35 -7.940 -3.465 4.762
243 H THR 36 H THR 36 -3.020 -4.945 -0.210
244 HA THR 36 HA THR 36 -3.175 -7.386 -1.703
245 HB THR 36 HB THR 36 -3.026 -5.287 -2.905
246 HG1 THR 36 HG1 THR 36 -0.741 -6.966 -3.162
247 HG21 THR 36 3HG2 THR 36 -1.048 -4.671 -0.973
248 HG22 THR 36 1HG2 THR 36 -1.699 -3.629 -2.237
249 HG23 THR 36 2HG2 THR 36 -0.275 -4.619 -2.557
250 H GLY 37 H GLY 37 -2.110 -9.139 -1.027
251 HA2 GLY 37 1HA GLY 37 0.717 -9.211 -0.970
252 HA3 GLY 37 2HA GLY 37 0.098 -9.195 0.675
253 H VAL 38 H VAL 38 -1.276 -10.750 -2.198
254 HA VAL 38 HA VAL 38 -1.320 -13.278 -0.728
255 HB VAL 38 HB VAL 38 -2.804 -14.060 -2.571
256 HG11 VAL 38 1HG1 VAL 38 -3.659 -13.057 -0.460
257 HG12 VAL 38 2HG1 VAL 38 -3.760 -11.503 -1.291
258 HG13 VAL 38 3HG1 VAL 38 -4.747 -12.860 -1.834
259 HG21 VAL 38 3HG2 VAL 38 -3.200 -12.874 -4.431
260 HG22 VAL 38 1HG2 VAL 38 -3.358 -11.359 -3.541
261 HG23 VAL 38 2HG2 VAL 38 -1.760 -11.959 -3.984
262 H LYS 39 H LYS 39 1.052 -13.451 -1.029
263 HA LYS 39 HA LYS 39 1.667 -15.282 -3.086
264 HB2 LYS 39 1HB LYS 39 1.667 -13.079 -4.349
265 HB3 LYS 39 2HB LYS 39 3.071 -12.629 -3.391
266 HG2 LYS 39 1HG LYS 39 4.251 -14.620 -4.266
267 HG3 LYS 39 2HG LYS 39 2.859 -14.947 -5.301
268 HD2 LYS 39 1HD LYS 39 4.126 -12.248 -5.390
269 HD3 LYS 39 2HD LYS 39 4.927 -13.596 -6.202
270 HE2 LYS 39 1HE LYS 39 2.070 -12.738 -6.656
271 HE3 LYS 39 2HE LYS 39 3.430 -12.325 -7.699
272 HZ1 LYS 39 3HZ LYS 39 2.048 -14.878 -7.370
273 HZ2 LYS 39 1HZ LYS 39 3.712 -14.931 -7.674
274 HZ3 LYS 39 2HZ LYS 39 2.676 -14.161 -8.767
275 HA PRO 40 HA PRO 40 4.679 -16.230 -0.008
276 HB2 PRO 40 1HB PRO 40 6.174 -17.983 -1.443
277 HB3 PRO 40 2HB PRO 40 4.579 -18.385 -0.797
278 HG2 PRO 40 1HG PRO 40 5.346 -17.546 -3.567
279 HG3 PRO 40 2HG PRO 40 4.225 -18.821 -3.054
280 HD2 PRO 40 1HD PRO 40 3.380 -16.388 -3.892
281 HD3 PRO 40 2HD PRO 40 2.510 -17.330 -2.664
282 H SER 41 H SER 41 5.221 -14.333 -2.653
283 HA SER 41 HA SER 41 7.924 -13.686 -1.743
284 HB2 SER 41 1HB SER 41 7.828 -15.250 -3.855
285 HB3 SER 41 2HB SER 41 7.420 -13.754 -4.696
286 HG SER 41 HG SER 41 9.616 -13.782 -2.955
287 H GLY 42 H GLY 42 8.532 -11.538 -2.055
288 HA2 GLY 42 1HA GLY 42 6.465 -9.764 -3.188
289 HA3 GLY 42 2HA GLY 42 7.149 -9.438 -1.602
290 HA PRO 43 HA PRO 43 9.782 -7.792 -5.286
291 HB2 PRO 43 1HB PRO 43 8.671 -5.347 -5.683
292 HB3 PRO 43 2HB PRO 43 8.174 -6.785 -6.582
293 HG2 PRO 43 1HG PRO 43 6.884 -5.494 -4.209
294 HG3 PRO 43 2HG PRO 43 6.130 -6.146 -5.675
295 HD2 PRO 43 1HD PRO 43 6.189 -7.510 -3.336
296 HD3 PRO 43 2HD PRO 43 6.239 -8.320 -4.915
297 H SER 44 H SER 44 11.381 -6.160 -5.056
298 HA SER 44 HA SER 44 11.313 -4.517 -2.648
299 HB2 SER 44 1HB SER 44 13.552 -5.299 -1.934
300 HB3 SER 44 2HB SER 44 12.352 -6.590 -1.878
301 HG SER 44 HG SER 44 14.425 -7.131 -2.874
302 H SER 45 H SER 45 13.230 -3.027 -2.565
303 HA SER 45 HA SER 45 13.659 -1.940 -5.226
304 HB2 SER 45 1HB SER 45 14.514 0.035 -4.072
305 HB3 SER 45 2HB SER 45 12.969 -0.449 -3.372
306 HG SER 45 HG SER 45 14.986 0.036 -1.983
307 H GLY 46 H GLY 46 15.677 -1.542 -6.148
308 HA2 GLY 46 1HA GLY 46 18.174 -1.900 -5.027
309 HA3 GLY 46 2HA GLY 46 17.677 -3.494 -5.577
Start of MODEL 15
1 H1 GLY 1 H GLY 1 -31.110 4.310 -14.835
2 HA2 GLY 1 1HA GLY 1 -28.929 5.181 -15.140
3 HA3 GLY 1 2HA GLY 1 -29.628 6.771 -15.405
4 H SER 2 H SER 2 -31.141 7.231 -13.242
5 HA SER 2 HA SER 2 -30.823 8.244 -11.200
6 HB2 SER 2 1HB SER 2 -31.618 5.932 -10.689
7 HB3 SER 2 2HB SER 2 -29.937 5.435 -10.498
8 HG SER 2 HG SER 2 -30.808 7.652 -9.046
9 H SER 3 H SER 3 -28.623 8.754 -12.800
10 HA SER 3 HA SER 3 -26.332 8.417 -10.986
11 HB2 SER 3 1HB SER 3 -26.325 7.700 -13.523
12 HB3 SER 3 2HB SER 3 -26.025 9.417 -13.791
13 HG SER 3 HG SER 3 -24.034 8.999 -13.307
14 H GLY 4 H GLY 4 -25.223 10.165 -10.216
15 HA2 GLY 4 1HA GLY 4 -25.153 12.745 -11.136
16 HA3 GLY 4 2HA GLY 4 -26.621 12.668 -10.173
17 H SER 5 H SER 5 -25.056 14.430 -9.194
18 HA SER 5 HA SER 5 -24.270 13.446 -6.655
19 HB2 SER 5 1HB SER 5 -22.323 12.734 -8.137
20 HB3 SER 5 2HB SER 5 -21.966 14.450 -8.330
21 HG SER 5 HG SER 5 -22.163 14.264 -5.819
22 H SER 6 H SER 6 -23.940 15.092 -5.169
23 HA SER 6 HA SER 6 -24.971 17.653 -5.929
24 HB2 SER 6 1HB SER 6 -25.150 16.319 -3.646
25 HB3 SER 6 2HB SER 6 -23.679 17.216 -3.270
26 HG SER 6 HG SER 6 -25.994 18.123 -2.887
27 H GLY 7 H GLY 7 -21.872 16.636 -4.472
28 HA2 GLY 7 1HA GLY 7 -19.868 17.515 -5.719
29 HA3 GLY 7 2HA GLY 7 -20.668 19.076 -5.622
30 H THR 8 H THR 8 -19.925 16.440 -3.335
31 HA THR 8 HA THR 8 -19.438 18.310 -1.209
32 HB THR 8 HB THR 8 -18.797 16.311 0.112
33 HG1 THR 8 HG1 THR 8 -19.154 14.248 -0.981
34 HG21 THR 8 3HG2 THR 8 -20.972 16.092 0.535
35 HG22 THR 8 1HG2 THR 8 -21.200 15.183 -0.958
36 HG23 THR 8 2HG2 THR 8 -21.329 16.942 -0.968
37 H GLY 9 H GLY 9 -17.409 16.036 -3.059
38 HA2 GLY 9 1HA GLY 9 -15.247 17.271 -3.743
39 HA3 GLY 9 2HA GLY 9 -15.028 17.409 -2.005
40 H GLU 10 H GLU 10 -13.464 16.009 -4.141
41 HA GLU 10 HA GLU 10 -13.728 13.214 -3.342
42 HB2 GLU 10 1HB GLU 10 -13.417 13.840 -5.743
43 HB3 GLU 10 2HB GLU 10 -11.817 14.444 -5.334
44 HG2 GLU 10 1HG GLU 10 -11.485 12.037 -4.368
45 HG3 GLU 10 2HG GLU 10 -12.811 11.642 -5.461
46 H LYS 11 H LYS 11 -12.169 12.069 -2.252
47 HA LYS 11 HA LYS 11 -10.398 13.625 -0.588
48 HB2 LYS 11 1HB LYS 11 -11.007 10.673 -0.742
49 HB3 LYS 11 2HB LYS 11 -9.831 11.352 0.377
50 HG2 LYS 11 1HG LYS 11 -12.714 12.204 0.288
51 HG3 LYS 11 2HG LYS 11 -12.104 10.918 1.332
52 HD2 LYS 11 1HD LYS 11 -10.394 12.704 2.113
53 HD3 LYS 11 2HD LYS 11 -11.535 13.858 1.417
54 HE2 LYS 11 1HE LYS 11 -12.344 11.755 3.411
55 HE3 LYS 11 2HE LYS 11 -11.799 13.363 3.887
56 HZ1 LYS 11 3HZ LYS 11 -13.677 13.890 2.017
57 HZ2 LYS 11 1HZ LYS 11 -13.937 13.914 3.689
58 HZ3 LYS 11 2HZ LYS 11 -14.326 12.534 2.793
59 HA PRO 12 HA PRO 12 -6.718 13.171 -2.952
60 HB2 PRO 12 1HB PRO 12 -4.872 13.308 -0.967
61 HB3 PRO 12 2HB PRO 12 -5.782 14.714 -1.530
62 HG2 PRO 12 1HG PRO 12 -6.258 12.987 0.868
63 HG3 PRO 12 2HG PRO 12 -6.334 14.753 0.729
64 HD2 PRO 12 1HD PRO 12 -8.548 13.194 0.715
65 HD3 PRO 12 2HD PRO 12 -8.445 14.715 -0.195
66 H TYR 13 H TYR 13 -6.636 11.296 0.086
67 HA TYR 13 HA TYR 13 -5.813 8.944 -1.455
68 HB2 TYR 13 1HB TYR 13 -4.448 9.713 1.126
69 HB3 TYR 13 2HB TYR 13 -4.009 8.413 0.022
70 HD1 TYR 13 HD2 TYR 13 -3.431 9.213 -2.435
71 HD2 TYR 13 HD1 TYR 13 -3.261 11.691 1.020
72 HE1 TYR 13 HE2 TYR 13 -1.878 10.723 -3.601
73 HE2 TYR 13 HE1 TYR 13 -1.709 13.208 -0.137
74 HH TYR 13 HH TYR 13 -0.082 13.092 -2.020
75 H LYS 14 H LYS 14 -7.294 7.449 -1.067
76 HA LYS 14 HA LYS 14 -8.093 6.915 1.694
77 HB2 LYS 14 1HB LYS 14 -9.905 8.277 1.037
78 HB3 LYS 14 2HB LYS 14 -9.965 7.567 -0.571
79 HG2 LYS 14 1HG LYS 14 -10.462 5.791 1.755
80 HG3 LYS 14 2HG LYS 14 -11.719 6.943 1.296
81 HD2 LYS 14 1HD LYS 14 -11.392 6.025 -1.087
82 HD3 LYS 14 2HD LYS 14 -10.556 4.684 -0.302
83 HE2 LYS 14 1HE LYS 14 -12.725 3.895 -0.438
84 HE3 LYS 14 2HE LYS 14 -12.678 4.572 1.189
85 HZ1 LYS 14 3HZ LYS 14 -14.650 5.362 0.260
86 HZ2 LYS 14 1HZ LYS 14 -13.934 5.711 -1.233
87 HZ3 LYS 14 2HZ LYS 14 -13.585 6.668 0.117
88 H CYS 15 H CYS 15 -8.698 4.783 2.095
89 HA CYS 15 HA CYS 15 -7.869 2.895 0.022
90 HB2 CYS 15 1HB CYS 15 -6.864 2.758 2.302
91 HB3 CYS 15 2HB CYS 15 -8.459 2.375 2.942
92 H ASN 16 H ASN 16 -9.207 1.443 -0.907
93 HA ASN 16 HA ASN 16 -12.058 1.714 -0.329
94 HB2 ASN 16 1HB ASN 16 -11.547 1.970 -2.644
95 HB3 ASN 16 2HB ASN 16 -10.541 0.524 -2.652
96 HD21 ASN 16 1HD2 ASN 16 -11.616 -0.594 -4.194
97 HD22 ASN 16 2HD2 ASN 16 -13.239 -1.159 -4.020
98 H GLU 17 H GLU 17 -9.450 -0.442 0.161
99 HA GLU 17 HA GLU 17 -10.841 -2.897 0.242
100 HB2 GLU 17 1HB GLU 17 -8.340 -2.060 1.722
101 HB3 GLU 17 2HB GLU 17 -8.909 -3.713 1.544
102 HG2 GLU 17 1HG GLU 17 -8.424 -2.070 -0.892
103 HG3 GLU 17 2HG GLU 17 -7.055 -2.764 -0.025
104 H CYS 18 H CYS 18 -9.985 -0.580 2.797
105 HA CYS 18 HA CYS 18 -11.873 -1.963 4.584
106 HB2 CYS 18 1HB CYS 18 -10.648 -0.905 6.443
107 HB3 CYS 18 2HB CYS 18 -9.593 -1.908 5.453
108 H GLY 19 H GLY 19 -10.726 1.268 3.633
109 HA2 GLY 19 1HA GLY 19 -12.497 2.871 2.994
110 HA3 GLY 19 2HA GLY 19 -13.383 2.309 4.404
111 H LYS 20 H LYS 20 -9.931 2.844 4.452
112 HA LYS 20 HA LYS 20 -10.331 4.928 6.462
113 HB2 LYS 20 1HB LYS 20 -8.010 3.177 5.703
114 HB3 LYS 20 2HB LYS 20 -7.765 4.618 6.681
115 HG2 LYS 20 1HG LYS 20 -9.113 3.771 8.432
116 HG3 LYS 20 2HG LYS 20 -9.713 2.453 7.422
117 HD2 LYS 20 1HD LYS 20 -8.113 1.414 8.753
118 HD3 LYS 20 2HD LYS 20 -7.232 1.752 7.261
119 HE2 LYS 20 1HE LYS 20 -7.206 3.706 9.530
120 HE3 LYS 20 2HE LYS 20 -6.130 2.310 9.537
121 HZ1 LYS 20 3HZ LYS 20 -6.040 3.617 7.027
122 HZ2 LYS 20 1HZ LYS 20 -4.784 3.327 8.122
123 HZ3 LYS 20 2HZ LYS 20 -5.723 4.726 8.264
124 H VAL 21 H VAL 21 -8.626 6.720 6.432
125 HA VAL 21 HA VAL 21 -7.950 7.566 3.710
126 HB VAL 21 HB VAL 21 -9.492 9.252 5.685
127 HG11 VAL 21 1HG1 VAL 21 -8.302 10.030 3.024
128 HG12 VAL 21 2HG1 VAL 21 -9.352 11.041 4.019
129 HG13 VAL 21 3HG1 VAL 21 -7.755 10.580 4.608
130 HG21 VAL 21 3HG2 VAL 21 -10.155 7.961 3.067
131 HG22 VAL 21 1HG2 VAL 21 -11.068 7.964 4.576
132 HG23 VAL 21 2HG2 VAL 21 -11.000 9.420 3.583
133 H PHE 22 H PHE 22 -6.169 8.914 3.554
134 HA PHE 22 HA PHE 22 -4.749 9.485 6.069
135 HB2 PHE 22 1HB PHE 22 -3.456 8.582 3.488
136 HB3 PHE 22 2HB PHE 22 -2.640 8.903 5.015
137 HD1 PHE 22 HD1 PHE 22 -5.037 6.651 3.332
138 HD2 PHE 22 HD2 PHE 22 -2.475 7.251 6.678
139 HE1 PHE 22 HE1 PHE 22 -5.339 4.297 3.981
140 HE2 PHE 22 HE2 PHE 22 -2.772 4.898 7.332
141 HZ PHE 22 HZ PHE 22 -4.205 3.417 5.983
142 H THR 23 H THR 23 -2.761 10.997 5.458
143 HA THR 23 HA THR 23 -3.960 13.306 4.114
144 HB THR 23 HB THR 23 -1.547 13.139 5.930
145 HG1 THR 23 HG1 THR 23 -3.317 12.974 7.205
146 HG21 THR 23 3HG2 THR 23 -1.042 15.001 4.679
147 HG22 THR 23 1HG2 THR 23 -2.056 15.723 5.928
148 HG23 THR 23 2HG2 THR 23 -2.734 15.366 4.340
149 H GLN 24 H GLN 24 -0.965 11.404 4.158
150 HA GLN 24 HA GLN 24 -0.131 12.717 1.669
151 HB2 GLN 24 1HB GLN 24 1.390 11.045 3.670
152 HB3 GLN 24 2HB GLN 24 2.067 11.562 2.132
153 HG2 GLN 24 1HG GLN 24 1.721 13.905 2.792
154 HG3 GLN 24 2HG GLN 24 1.116 13.354 4.354
155 HE21 GLN 24 1HE2 GLN 24 3.273 15.072 4.108
156 HE22 GLN 24 2HE2 GLN 24 4.702 14.261 4.642
157 H ASN 25 H ASN 25 0.830 11.353 -0.022
158 HA ASN 25 HA ASN 25 -0.908 9.220 -0.717
159 HB2 ASN 25 1HB ASN 25 0.317 9.076 -2.746
160 HB3 ASN 25 2HB ASN 25 0.311 10.783 -2.311
161 HD21 ASN 25 1HD2 ASN 25 2.192 8.210 -3.250
162 HD22 ASN 25 2HD2 ASN 25 3.746 8.852 -2.854
163 H SER 26 H SER 26 2.464 9.346 0.367
164 HA SER 26 HA SER 26 3.098 6.650 0.119
165 HB2 SER 26 1HB SER 26 4.787 7.090 1.915
166 HB3 SER 26 2HB SER 26 4.817 8.276 0.610
167 HG SER 26 HG SER 26 3.576 9.657 1.959
168 H HIS 27 H HIS 27 1.382 8.355 2.673
169 HA HIS 27 HA HIS 27 1.355 6.308 4.592
170 HB2 HIS 27 1HB HIS 27 -0.561 8.577 4.052
171 HB3 HIS 27 2HB HIS 27 -0.733 7.490 5.427
172 HD2 HIS 27 HD2 HIS 27 2.918 8.414 4.752
173 HE1 HIS 27 HE1 HIS 27 1.543 10.954 7.860
174 HE2 HIS 27 HE2 HIS 27 3.537 10.197 6.520
175 H LEU 28 H LEU 28 -0.908 7.070 1.970
176 HA LEU 28 HA LEU 28 -2.730 4.977 2.596
177 HB2 LEU 28 1HB LEU 28 -3.504 6.860 1.349
178 HB3 LEU 28 2HB LEU 28 -2.284 6.605 0.104
179 HG LEU 28 HG LEU 28 -3.439 4.481 -0.501
180 HD11 LEU 28 1HD1 LEU 28 -5.112 3.646 0.697
181 HD12 LEU 28 2HD1 LEU 28 -5.970 5.187 0.698
182 HD13 LEU 28 3HD1 LEU 28 -4.744 4.860 1.923
183 HD21 LEU 28 3HD2 LEU 28 -5.059 5.524 -1.837
184 HD22 LEU 28 1HD2 LEU 28 -3.833 6.764 -1.570
185 HD23 LEU 28 2HD2 LEU 28 -5.340 6.802 -0.653
186 H ALA 29 H ALA 29 -0.256 5.329 0.056
187 HA ALA 29 HA ALA 29 -0.536 2.858 -1.158
188 HB1 ALA 29 3HB ALA 29 2.072 3.190 -1.496
189 HB2 ALA 29 1HB ALA 29 0.886 4.189 -2.337
190 HB3 ALA 29 2HB ALA 29 1.691 4.802 -0.892
191 H ASN 30 H ASN 30 1.773 3.706 1.430
192 HA ASN 30 HA ASN 30 2.795 1.144 1.830
193 HB2 ASN 30 1HB ASN 30 3.725 3.289 2.759
194 HB3 ASN 30 2HB ASN 30 2.448 3.250 3.971
195 HD21 ASN 30 1HD2 ASN 30 5.099 3.280 4.677
196 HD22 ASN 30 2HD2 ASN 30 5.524 1.763 5.385
197 H HIS 31 H HIS 31 -0.214 2.542 2.805
198 HA HIS 31 HA HIS 31 -0.782 0.617 4.861
199 HB2 HIS 31 1HB HIS 31 -1.912 2.623 5.209
200 HB3 HIS 31 2HB HIS 31 -2.330 2.799 3.508
201 HD1 HIS 31 HD1 HIS 31 -3.232 0.528 6.424
202 HD2 HIS 31 HD2 HIS 31 -4.885 2.099 2.951
203 HE1 HIS 31 HE1 HIS 31 -5.634 -0.215 6.427
204 H GLN 32 H GLN 32 -2.183 1.231 1.636
205 HA GLN 32 HA GLN 32 -3.923 -0.799 1.354
206 HB2 GLN 32 1HB GLN 32 -1.920 0.248 -0.636
207 HB3 GLN 32 2HB GLN 32 -3.127 -0.952 -1.077
208 HG2 GLN 32 1HG GLN 32 -4.858 0.681 -0.206
209 HG3 GLN 32 2HG GLN 32 -3.561 1.874 -0.172
210 HE21 GLN 32 1HE2 GLN 32 -6.074 1.554 -1.797
211 HE22 GLN 32 2HE2 GLN 32 -5.550 1.724 -3.435
212 H ARG 33 H ARG 33 -0.487 -1.118 1.645
213 HA ARG 33 HA ARG 33 0.039 -3.573 0.533
214 HB2 ARG 33 1HB ARG 33 1.099 -2.493 3.151
215 HB3 ARG 33 2HB ARG 33 1.813 -3.814 2.236
216 HG2 ARG 33 1HG ARG 33 1.828 -1.987 0.319
217 HG3 ARG 33 2HG ARG 33 1.851 -0.900 1.709
218 HD2 ARG 33 1HD ARG 33 3.738 -3.215 1.579
219 HD3 ARG 33 2HD ARG 33 4.090 -1.738 0.683
220 HE ARG 33 HE ARG 33 3.509 -0.918 3.237
221 HH11 ARG 33 1HH1 ARG 33 5.823 -3.055 1.754
222 HH12 ARG 33 2HH1 ARG 33 7.042 -2.781 2.954
223 HH21 ARG 33 1HH2 ARG 33 5.106 -0.549 4.824
224 HH22 ARG 33 2HH2 ARG 33 6.632 -1.356 4.701
225 H ILE 34 H ILE 34 -1.135 -2.953 3.838
226 HA ILE 34 HA ILE 34 -1.293 -5.553 4.750
227 HB ILE 34 HB ILE 34 -2.945 -4.815 6.343
228 HG12 ILE 34 1HG1 ILE 34 -3.193 -2.129 5.064
229 HG13 ILE 34 2HG1 ILE 34 -4.141 -3.456 4.400
230 HG21 ILE 34 1HG2 ILE 34 -1.083 -3.951 7.242
231 HG22 ILE 34 2HG2 ILE 34 -0.580 -3.207 5.725
232 HG23 ILE 34 3HG2 ILE 34 -1.760 -2.397 6.755
233 HD11 ILE 34 3HD1 ILE 34 -4.501 -1.939 6.856
234 HD12 ILE 34 1HD1 ILE 34 -5.661 -2.878 5.917
235 HD13 ILE 34 2HD1 ILE 34 -4.611 -3.684 7.082
236 H HIS 35 H HIS 35 -3.094 -4.085 2.261
237 HA HIS 35 HA HIS 35 -5.225 -6.089 2.419
238 HB2 HIS 35 1HB HIS 35 -4.932 -3.586 0.752
239 HB3 HIS 35 2HB HIS 35 -6.261 -4.727 0.570
240 HD1 HIS 35 HD1 HIS 35 -7.493 -5.176 3.087
241 HD2 HIS 35 HD2 HIS 35 -5.619 -1.540 2.359
242 HE1 HIS 35 HE1 HIS 35 -8.478 -3.567 4.750
243 H THR 36 H THR 36 -2.740 -4.862 0.213
244 HA THR 36 HA THR 36 -3.251 -6.507 -1.973
245 HB THR 36 HB THR 36 -0.521 -5.586 -1.055
246 HG1 THR 36 HG1 THR 36 -1.378 -3.676 -1.393
247 HG21 THR 36 3HG2 THR 36 -1.317 -7.182 -3.233
248 HG22 THR 36 1HG2 THR 36 0.264 -6.457 -2.949
249 HG23 THR 36 2HG2 THR 36 -0.947 -5.589 -3.893
250 H GLY 37 H GLY 37 -2.719 -8.565 -2.531
251 HA2 GLY 37 1HA GLY 37 -1.041 -10.401 -2.126
252 HA3 GLY 37 2HA GLY 37 -1.432 -10.190 -0.426
253 H VAL 38 H VAL 38 -4.113 -10.040 -0.357
254 HA VAL 38 HA VAL 38 -4.876 -12.756 -1.008
255 HB VAL 38 HB VAL 38 -6.512 -10.609 0.349
256 HG11 VAL 38 1HG1 VAL 38 -7.003 -13.404 -0.383
257 HG12 VAL 38 2HG1 VAL 38 -7.380 -13.010 1.295
258 HG13 VAL 38 3HG1 VAL 38 -8.141 -12.108 -0.016
259 HG21 VAL 38 3HG2 VAL 38 -4.781 -10.847 1.839
260 HG22 VAL 38 1HG2 VAL 38 -5.854 -12.136 2.384
261 HG23 VAL 38 2HG2 VAL 38 -4.462 -12.516 1.370
262 H LYS 39 H LYS 39 -4.491 -11.496 -3.353
263 HA LYS 39 HA LYS 39 -7.098 -11.641 -4.555
264 HB2 LYS 39 1HB LYS 39 -6.886 -9.251 -3.734
265 HB3 LYS 39 2HB LYS 39 -5.576 -9.057 -4.891
266 HG2 LYS 39 1HG LYS 39 -8.337 -9.938 -5.685
267 HG3 LYS 39 2HG LYS 39 -7.840 -8.245 -5.630
268 HD2 LYS 39 1HD LYS 39 -5.834 -9.181 -7.093
269 HD3 LYS 39 2HD LYS 39 -7.034 -10.409 -7.501
270 HE2 LYS 39 1HE LYS 39 -7.667 -7.480 -7.657
271 HE3 LYS 39 2HE LYS 39 -6.879 -8.323 -8.990
272 HZ1 LYS 39 3HZ LYS 39 -9.140 -9.771 -8.067
273 HZ2 LYS 39 1HZ LYS 39 -8.807 -9.183 -9.618
274 HZ3 LYS 39 2HZ LYS 39 -9.580 -8.193 -8.485
275 HA PRO 40 HA PRO 40 -4.465 -13.309 -7.694
276 HB2 PRO 40 1HB PRO 40 -6.361 -13.609 -9.614
277 HB3 PRO 40 2HB PRO 40 -6.231 -14.683 -8.216
278 HG2 PRO 40 1HG PRO 40 -8.073 -12.366 -8.658
279 HG3 PRO 40 2HG PRO 40 -8.427 -13.961 -7.969
280 HD2 PRO 40 1HD PRO 40 -8.045 -11.762 -6.435
281 HD3 PRO 40 2HD PRO 40 -7.586 -13.392 -5.899
282 H SER 41 H SER 41 -3.098 -11.654 -8.291
283 HA SER 41 HA SER 41 -4.026 -9.996 -10.532
284 HB2 SER 41 1HB SER 41 -2.826 -8.059 -9.661
285 HB3 SER 41 2HB SER 41 -4.006 -8.614 -8.474
286 HG SER 41 HG SER 41 -2.276 -8.483 -7.239
287 H GLY 42 H GLY 42 -2.964 -11.466 -11.923
288 HA2 GLY 42 1HA GLY 42 -0.089 -11.825 -11.612
289 HA3 GLY 42 2HA GLY 42 -1.110 -12.583 -12.826
290 HA PRO 43 HA PRO 43 0.414 -9.755 -15.809
291 HB2 PRO 43 1HB PRO 43 -1.685 -9.670 -17.529
292 HB3 PRO 43 2HB PRO 43 -0.614 -11.069 -17.389
293 HG2 PRO 43 1HG PRO 43 -3.319 -10.627 -16.186
294 HG3 PRO 43 2HG PRO 43 -2.662 -12.082 -16.958
295 HD2 PRO 43 1HD PRO 43 -2.792 -11.791 -14.269
296 HD3 PRO 43 2HD PRO 43 -1.502 -12.713 -15.069
297 H SER 44 H SER 44 -2.468 -9.098 -14.031
298 HA SER 44 HA SER 44 -2.815 -6.429 -15.093
299 HB2 SER 44 1HB SER 44 -4.743 -7.833 -14.336
300 HB3 SER 44 2HB SER 44 -4.144 -7.691 -12.683
301 HG SER 44 HG SER 44 -5.220 -5.704 -14.364
302 H SER 45 H SER 45 -0.746 -5.547 -14.604
303 HA SER 45 HA SER 45 -0.510 -4.703 -11.799
304 HB2 SER 45 1HB SER 45 1.184 -6.345 -11.946
305 HB3 SER 45 2HB SER 45 1.654 -5.834 -13.568
306 HG SER 45 HG SER 45 2.833 -4.273 -12.748
307 H GLY 46 H GLY 46 -0.765 -2.574 -11.750
308 HA2 GLY 46 1HA GLY 46 0.306 -0.430 -12.217
309 HA3 GLY 46 2HA GLY 46 0.520 -0.974 -13.874
Start of MODEL 16
1 H1 GLY 1 H GLY 1 -33.266 12.652 4.446
2 HA2 GLY 1 1HA GLY 1 -31.249 11.656 5.161
3 HA3 GLY 1 2HA GLY 1 -32.455 10.851 6.154
4 H SER 2 H SER 2 -32.643 8.700 6.016
5 HA SER 2 HA SER 2 -30.819 7.005 5.055
6 HB2 SER 2 1HB SER 2 -33.812 6.596 5.116
7 HB3 SER 2 2HB SER 2 -32.673 5.292 4.780
8 HG SER 2 HG SER 2 -31.670 5.950 6.849
9 H SER 3 H SER 3 -33.678 7.970 3.157
10 HA SER 3 HA SER 3 -33.378 6.648 0.845
11 HB2 SER 3 1HB SER 3 -34.977 8.616 1.459
12 HB3 SER 3 2HB SER 3 -33.763 9.623 0.670
13 HG SER 3 HG SER 3 -35.656 8.496 -0.555
14 H GLY 4 H GLY 4 -31.875 6.360 -0.669
15 HA2 GLY 4 1HA GLY 4 -30.016 6.691 -1.980
16 HA3 GLY 4 2HA GLY 4 -30.132 8.401 -1.590
17 H SER 5 H SER 5 -27.738 6.801 -1.840
18 HA SER 5 HA SER 5 -26.576 7.420 0.762
19 HB2 SER 5 1HB SER 5 -25.474 5.267 0.974
20 HB3 SER 5 2HB SER 5 -27.214 5.013 0.842
21 HG SER 5 HG SER 5 -25.572 4.949 -1.446
22 H SER 6 H SER 6 -24.722 8.476 0.515
23 HA SER 6 HA SER 6 -23.263 8.161 -2.027
24 HB2 SER 6 1HB SER 6 -22.571 10.534 -1.781
25 HB3 SER 6 2HB SER 6 -24.319 10.355 -1.938
26 HG SER 6 HG SER 6 -22.828 10.833 0.426
27 H GLY 7 H GLY 7 -22.451 6.402 -0.324
28 HA2 GLY 7 1HA GLY 7 -20.699 5.634 0.949
29 HA3 GLY 7 2HA GLY 7 -19.770 6.896 0.154
30 H THR 8 H THR 8 -18.645 6.809 2.289
31 HA THR 8 HA THR 8 -20.050 8.008 4.522
32 HB THR 8 HB THR 8 -17.118 7.309 4.278
33 HG1 THR 8 HG1 THR 8 -17.902 5.341 4.383
34 HG21 THR 8 3HG2 THR 8 -18.207 7.215 6.933
35 HG22 THR 8 1HG2 THR 8 -18.503 8.800 6.220
36 HG23 THR 8 2HG2 THR 8 -16.858 8.170 6.317
37 H GLY 9 H GLY 9 -17.017 8.825 2.814
38 HA2 GLY 9 1HA GLY 9 -17.809 11.646 2.870
39 HA3 GLY 9 2HA GLY 9 -16.301 11.200 3.656
40 H GLU 10 H GLU 10 -16.094 13.020 1.732
41 HA GLU 10 HA GLU 10 -15.127 11.530 -0.620
42 HB2 GLU 10 1HB GLU 10 -16.060 14.401 -0.454
43 HB3 GLU 10 2HB GLU 10 -15.424 13.623 -1.896
44 HG2 GLU 10 1HG GLU 10 -17.287 12.151 -2.022
45 HG3 GLU 10 2HG GLU 10 -17.869 12.660 -0.438
46 H LYS 11 H LYS 11 -13.086 11.139 0.309
47 HA LYS 11 HA LYS 11 -11.416 13.526 0.730
48 HB2 LYS 11 1HB LYS 11 -11.320 10.751 1.861
49 HB3 LYS 11 2HB LYS 11 -9.853 11.720 1.792
50 HG2 LYS 11 1HG LYS 11 -10.752 12.040 3.942
51 HG3 LYS 11 2HG LYS 11 -11.121 13.510 3.036
52 HD2 LYS 11 1HD LYS 11 -13.110 12.995 4.168
53 HD3 LYS 11 2HD LYS 11 -13.373 12.416 2.521
54 HE2 LYS 11 1HE LYS 11 -14.130 10.636 3.780
55 HE3 LYS 11 2HE LYS 11 -12.463 10.166 3.451
56 HZ1 LYS 11 3HZ LYS 11 -13.406 11.480 5.942
57 HZ2 LYS 11 1HZ LYS 11 -11.827 10.959 5.626
58 HZ3 LYS 11 2HZ LYS 11 -13.077 9.829 5.776
59 HA PRO 12 HA PRO 12 -8.934 12.623 -2.774
60 HB2 PRO 12 1HB PRO 12 -6.452 13.289 -1.898
61 HB3 PRO 12 2HB PRO 12 -7.700 14.490 -2.254
62 HG2 PRO 12 1HG PRO 12 -6.858 13.358 0.387
63 HG3 PRO 12 2HG PRO 12 -7.228 15.038 -0.044
64 HD2 PRO 12 1HD PRO 12 -8.997 13.440 1.242
65 HD3 PRO 12 2HD PRO 12 -9.504 14.708 0.107
66 H TYR 13 H TYR 13 -7.275 11.529 0.194
67 HA TYR 13 HA TYR 13 -6.430 9.117 -1.262
68 HB2 TYR 13 1HB TYR 13 -5.281 10.390 1.230
69 HB3 TYR 13 2HB TYR 13 -4.703 8.891 0.510
70 HD1 TYR 13 HD2 TYR 13 -5.569 10.644 -2.256
71 HD2 TYR 13 HD1 TYR 13 -2.695 10.806 0.876
72 HE1 TYR 13 HE2 TYR 13 -4.061 11.927 -3.715
73 HE2 TYR 13 HE1 TYR 13 -1.179 12.091 -0.573
74 HH TYR 13 HH TYR 13 -1.852 13.743 -2.933
75 H LYS 14 H LYS 14 -8.026 7.658 -0.967
76 HA LYS 14 HA LYS 14 -8.570 6.837 1.794
77 HB2 LYS 14 1HB LYS 14 -10.461 8.233 1.092
78 HB3 LYS 14 2HB LYS 14 -10.683 7.227 -0.334
79 HG2 LYS 14 1HG LYS 14 -10.936 5.306 1.415
80 HG3 LYS 14 2HG LYS 14 -11.299 6.634 2.520
81 HD2 LYS 14 1HD LYS 14 -13.404 6.145 1.748
82 HD3 LYS 14 2HD LYS 14 -12.914 7.374 0.580
83 HE2 LYS 14 1HE LYS 14 -12.541 4.421 0.126
84 HE3 LYS 14 2HE LYS 14 -13.982 5.300 -0.382
85 HZ1 LYS 14 3HZ LYS 14 -12.598 5.276 -2.243
86 HZ2 LYS 14 1HZ LYS 14 -11.206 5.621 -1.346
87 HZ3 LYS 14 2HZ LYS 14 -12.372 6.821 -1.592
88 H CYS 15 H CYS 15 -8.423 4.701 2.087
89 HA CYS 15 HA CYS 15 -7.653 3.013 -0.080
90 HB2 CYS 15 1HB CYS 15 -6.682 2.580 2.061
91 HB3 CYS 15 2HB CYS 15 -8.264 2.463 2.825
92 H ASN 16 H ASN 16 -8.719 1.085 -0.782
93 HA ASN 16 HA ASN 16 -11.642 1.351 -0.721
94 HB2 ASN 16 1HB ASN 16 -9.781 -0.021 -2.667
95 HB3 ASN 16 2HB ASN 16 -11.533 -0.190 -2.728
96 HD21 ASN 16 1HD2 ASN 16 -12.684 1.303 -3.763
97 HD22 ASN 16 2HD2 ASN 16 -12.057 2.786 -4.388
98 H GLU 17 H GLU 17 -9.008 -0.849 -0.044
99 HA GLU 17 HA GLU 17 -10.373 -3.248 0.230
100 HB2 GLU 17 1HB GLU 17 -8.006 -2.175 1.768
101 HB3 GLU 17 2HB GLU 17 -8.579 -3.831 1.902
102 HG2 GLU 17 1HG GLU 17 -6.769 -3.849 0.388
103 HG3 GLU 17 2HG GLU 17 -8.235 -4.053 -0.568
104 H CYS 18 H CYS 18 -9.681 -0.848 2.774
105 HA CYS 18 HA CYS 18 -11.824 -2.058 4.387
106 HB2 CYS 18 1HB CYS 18 -10.749 -0.944 6.321
107 HB3 CYS 18 2HB CYS 18 -9.668 -2.070 5.508
108 H GLY 19 H GLY 19 -10.444 1.079 3.434
109 HA2 GLY 19 1HA GLY 19 -12.021 2.751 2.568
110 HA3 GLY 19 2HA GLY 19 -13.128 2.248 3.837
111 H LYS 20 H LYS 20 -9.664 2.794 4.196
112 HA LYS 20 HA LYS 20 -10.230 4.738 6.291
113 HB2 LYS 20 1HB LYS 20 -7.873 3.088 5.505
114 HB3 LYS 20 2HB LYS 20 -7.582 4.579 6.390
115 HG2 LYS 20 1HG LYS 20 -9.032 3.803 8.191
116 HG3 LYS 20 2HG LYS 20 -9.344 2.311 7.300
117 HD2 LYS 20 1HD LYS 20 -6.846 1.920 7.335
118 HD3 LYS 20 2HD LYS 20 -6.740 3.256 8.484
119 HE2 LYS 20 1HE LYS 20 -8.106 2.093 10.063
120 HE3 LYS 20 2HE LYS 20 -8.484 0.832 8.890
121 HZ1 LYS 20 3HZ LYS 20 -6.209 1.095 10.610
122 HZ2 LYS 20 1HZ LYS 20 -5.766 0.827 8.999
123 HZ3 LYS 20 2HZ LYS 20 -6.788 -0.266 9.788
124 H VAL 21 H VAL 21 -8.266 6.469 6.353
125 HA VAL 21 HA VAL 21 -7.938 7.645 3.691
126 HB VAL 21 HB VAL 21 -9.108 9.112 6.058
127 HG11 VAL 21 1HG1 VAL 21 -8.238 10.175 3.372
128 HG12 VAL 21 2HG1 VAL 21 -9.124 11.088 4.596
129 HG13 VAL 21 3HG1 VAL 21 -7.486 10.523 4.929
130 HG21 VAL 21 3HG2 VAL 21 -10.522 7.616 4.448
131 HG22 VAL 21 1HG2 VAL 21 -11.102 9.217 4.909
132 HG23 VAL 21 2HG2 VAL 21 -10.335 8.974 3.339
133 H PHE 22 H PHE 22 -6.276 9.278 3.589
134 HA PHE 22 HA PHE 22 -4.512 9.516 5.893
135 HB2 PHE 22 1HB PHE 22 -3.497 8.487 3.236
136 HB3 PHE 22 2HB PHE 22 -2.538 8.777 4.683
137 HD1 PHE 22 HD1 PHE 22 -5.255 6.686 3.291
138 HD2 PHE 22 HD2 PHE 22 -2.303 7.126 6.326
139 HE1 PHE 22 HE1 PHE 22 -5.660 4.370 4.017
140 HE2 PHE 22 HE2 PHE 22 -2.703 4.811 7.056
141 HZ PHE 22 HZ PHE 22 -4.382 3.429 5.900
142 H THR 23 H THR 23 -3.016 11.246 5.737
143 HA THR 23 HA THR 23 -3.891 13.327 3.882
144 HB THR 23 HB THR 23 -1.853 13.844 6.004
145 HG1 THR 23 HG1 THR 23 -3.221 12.997 7.404
146 HG21 THR 23 3HG2 THR 23 -4.081 15.357 4.676
147 HG22 THR 23 1HG2 THR 23 -2.362 15.746 4.738
148 HG23 THR 23 2HG2 THR 23 -3.359 15.924 6.181
149 H GLN 24 H GLN 24 -1.784 10.945 3.635
150 HA GLN 24 HA GLN 24 -0.000 12.493 1.924
151 HB2 GLN 24 1HB GLN 24 1.065 12.238 4.203
152 HB3 GLN 24 2HB GLN 24 1.101 10.504 3.909
153 HG2 GLN 24 1HG GLN 24 2.668 10.699 2.204
154 HG3 GLN 24 2HG GLN 24 2.343 12.416 1.974
155 HE21 GLN 24 1HE2 GLN 24 4.879 11.842 2.130
156 HE22 GLN 24 2HE2 GLN 24 5.557 12.241 3.668
157 H ASN 25 H ASN 25 0.722 11.395 0.144
158 HA ASN 25 HA ASN 25 -0.745 9.209 -0.778
159 HB2 ASN 25 1HB ASN 25 0.681 10.928 -2.088
160 HB3 ASN 25 2HB ASN 25 2.020 9.823 -1.790
161 HD21 ASN 25 1HD2 ASN 25 2.409 8.612 -3.482
162 HD22 ASN 25 2HD2 ASN 25 1.230 7.920 -4.539
163 H SER 26 H SER 26 2.672 9.265 0.249
164 HA SER 26 HA SER 26 3.214 6.570 0.067
165 HB2 SER 26 1HB SER 26 4.251 8.360 2.273
166 HB3 SER 26 2HB SER 26 5.040 6.939 1.588
167 HG SER 26 HG SER 26 5.546 9.281 0.846
168 H HIS 27 H HIS 27 1.538 8.311 2.617
169 HA HIS 27 HA HIS 27 1.489 6.252 4.536
170 HB2 HIS 27 1HB HIS 27 -0.300 8.627 4.044
171 HB3 HIS 27 2HB HIS 27 -0.578 7.509 5.376
172 HD2 HIS 27 HD2 HIS 27 3.013 7.557 5.556
173 HE1 HIS 27 HE1 HIS 27 1.955 11.212 7.432
174 HE2 HIS 27 HE2 HIS 27 3.803 9.559 6.991
175 H LEU 28 H LEU 28 -0.910 7.201 2.083
176 HA LEU 28 HA LEU 28 -2.757 5.154 2.682
177 HB2 LEU 28 1HB LEU 28 -3.535 7.024 1.471
178 HB3 LEU 28 2HB LEU 28 -2.285 6.842 0.242
179 HG LEU 28 HG LEU 28 -3.413 4.727 -0.476
180 HD11 LEU 28 1HD1 LEU 28 -5.731 4.376 0.228
181 HD12 LEU 28 2HD1 LEU 28 -5.576 5.693 1.389
182 HD13 LEU 28 3HD1 LEU 28 -4.608 4.231 1.581
183 HD21 LEU 28 3HD2 LEU 28 -4.999 5.826 -1.821
184 HD22 LEU 28 1HD2 LEU 28 -3.753 7.031 -1.495
185 HD23 LEU 28 2HD2 LEU 28 -5.279 7.080 -0.611
186 H ALA 29 H ALA 29 -0.314 5.408 0.102
187 HA ALA 29 HA ALA 29 -0.739 2.942 -1.101
188 HB1 ALA 29 3HB ALA 29 1.843 3.177 -1.575
189 HB2 ALA 29 1HB ALA 29 0.669 4.253 -2.333
190 HB3 ALA 29 2HB ALA 29 1.580 4.794 -0.923
191 H ASN 30 H ASN 30 1.731 3.725 1.357
192 HA ASN 30 HA ASN 30 2.700 1.157 1.745
193 HB2 ASN 30 1HB ASN 30 3.725 3.231 2.664
194 HB3 ASN 30 2HB ASN 30 2.432 3.307 3.857
195 HD21 ASN 30 1HD2 ASN 30 4.930 3.266 4.774
196 HD22 ASN 30 2HD2 ASN 30 5.314 1.734 5.475
197 H HIS 31 H HIS 31 -0.224 2.640 2.913
198 HA HIS 31 HA HIS 31 -0.785 0.738 4.958
199 HB2 HIS 31 1HB HIS 31 -1.995 2.665 5.300
200 HB3 HIS 31 2HB HIS 31 -2.296 2.910 3.582
201 HD1 HIS 31 HD1 HIS 31 -3.552 0.925 6.527
202 HD2 HIS 31 HD2 HIS 31 -4.674 1.877 2.642
203 HE1 HIS 31 HE1 HIS 31 -5.921 0.113 6.293
204 H GLN 32 H GLN 32 -2.300 1.231 1.762
205 HA GLN 32 HA GLN 32 -3.968 -0.869 1.585
206 HB2 GLN 32 1HB GLN 32 -2.072 0.165 -0.520
207 HB3 GLN 32 2HB GLN 32 -3.317 -1.028 -0.867
208 HG2 GLN 32 1HG GLN 32 -4.916 0.720 0.194
209 HG3 GLN 32 2HG GLN 32 -3.604 1.850 -0.138
210 HE21 GLN 32 1HE2 GLN 32 -4.226 2.992 -1.836
211 HE22 GLN 32 2HE2 GLN 32 -4.814 2.345 -3.326
212 H ARG 33 H ARG 33 -0.512 -1.052 1.737
213 HA ARG 33 HA ARG 33 -0.038 -3.577 0.674
214 HB2 ARG 33 1HB ARG 33 1.342 -2.291 3.037
215 HB3 ARG 33 2HB ARG 33 1.975 -3.616 2.070
216 HG2 ARG 33 1HG ARG 33 1.608 -1.875 0.110
217 HG3 ARG 33 2HG ARG 33 1.781 -0.728 1.440
218 HD2 ARG 33 1HD ARG 33 3.753 -2.943 1.221
219 HD3 ARG 33 2HD ARG 33 3.869 -1.609 0.074
220 HE ARG 33 HE ARG 33 3.641 -0.641 2.729
221 HH11 ARG 33 1HH1 ARG 33 5.887 -2.108 0.511
222 HH12 ARG 33 2HH1 ARG 33 7.286 -1.425 1.271
223 HH21 ARG 33 1HH2 ARG 33 5.475 0.264 3.739
224 HH22 ARG 33 2HH2 ARG 33 7.050 -0.077 3.108
225 H ILE 34 H ILE 34 -0.887 -2.668 4.002
226 HA ILE 34 HA ILE 34 -0.731 -5.039 5.316
227 HB ILE 34 HB ILE 34 -2.389 -4.293 6.833
228 HG12 ILE 34 1HG1 ILE 34 -3.373 -2.348 4.738
229 HG13 ILE 34 2HG1 ILE 34 -4.136 -3.898 5.072
230 HG21 ILE 34 1HG2 ILE 34 -0.359 -2.588 5.898
231 HG22 ILE 34 2HG2 ILE 34 -1.764 -1.570 6.210
232 HG23 ILE 34 3HG2 ILE 34 -1.117 -2.596 7.490
233 HD11 ILE 34 3HD1 ILE 34 -4.429 -1.383 6.423
234 HD12 ILE 34 1HD1 ILE 34 -5.375 -2.863 6.581
235 HD13 ILE 34 2HD1 ILE 34 -3.917 -2.641 7.548
236 H HIS 35 H HIS 35 -3.040 -4.164 2.858
237 HA HIS 35 HA HIS 35 -4.736 -6.455 3.352
238 HB2 HIS 35 1HB HIS 35 -4.732 -4.419 1.115
239 HB3 HIS 35 2HB HIS 35 -5.946 -5.677 1.322
240 HD1 HIS 35 HD1 HIS 35 -7.266 -5.516 3.727
241 HD2 HIS 35 HD2 HIS 35 -5.342 -2.095 2.365
242 HE1 HIS 35 HE1 HIS 35 -8.294 -3.611 5.008
243 H THR 36 H THR 36 -2.878 -5.362 0.506
244 HA THR 36 HA THR 36 -2.855 -8.035 -0.583
245 HB THR 36 HB THR 36 -3.045 -6.092 -2.080
246 HG1 THR 36 HG1 THR 36 -1.805 -8.172 -2.581
247 HG21 THR 36 3HG2 THR 36 -1.268 -4.553 -2.430
248 HG22 THR 36 1HG2 THR 36 -0.168 -5.487 -1.417
249 HG23 THR 36 2HG2 THR 36 -1.525 -4.628 -0.687
250 H GLY 37 H GLY 37 -1.631 -8.071 1.885
251 HA2 GLY 37 1HA GLY 37 1.130 -7.682 1.946
252 HA3 GLY 37 2HA GLY 37 0.259 -8.858 2.920
253 H VAL 38 H VAL 38 2.732 -9.541 2.212
254 HA VAL 38 HA VAL 38 2.729 -11.034 -0.268
255 HB VAL 38 HB VAL 38 5.002 -11.700 0.340
256 HG11 VAL 38 1HG1 VAL 38 4.301 -9.339 -0.563
257 HG12 VAL 38 2HG1 VAL 38 4.910 -8.795 1.002
258 HG13 VAL 38 3HG1 VAL 38 5.972 -9.668 -0.105
259 HG21 VAL 38 3HG2 VAL 38 4.108 -11.116 2.971
260 HG22 VAL 38 1HG2 VAL 38 5.646 -11.811 2.461
261 HG23 VAL 38 2HG2 VAL 38 5.476 -10.063 2.612
262 H LYS 39 H LYS 39 3.667 -13.354 -0.097
263 HA LYS 39 HA LYS 39 1.755 -15.032 0.981
264 HB2 LYS 39 1HB LYS 39 3.488 -15.608 -0.759
265 HB3 LYS 39 2HB LYS 39 4.647 -15.788 0.551
266 HG2 LYS 39 1HG LYS 39 3.148 -17.523 1.537
267 HG3 LYS 39 2HG LYS 39 2.164 -17.418 0.075
268 HD2 LYS 39 1HD LYS 39 3.535 -19.142 -0.522
269 HD3 LYS 39 2HD LYS 39 4.517 -17.789 -1.089
270 HE2 LYS 39 1HE LYS 39 5.737 -17.834 1.067
271 HE3 LYS 39 2HE LYS 39 4.807 -19.258 1.530
272 HZ1 LYS 39 3HZ LYS 39 6.141 -20.556 0.348
273 HZ2 LYS 39 1HZ LYS 39 7.174 -19.230 0.149
274 HZ3 LYS 39 2HZ LYS 39 6.013 -19.582 -1.029
275 HA PRO 40 HA PRO 40 2.597 -15.119 5.309
276 HB2 PRO 40 1HB PRO 40 1.318 -17.436 5.915
277 HB3 PRO 40 2HB PRO 40 0.462 -15.934 5.548
278 HG2 PRO 40 1HG PRO 40 1.018 -18.280 3.774
279 HG3 PRO 40 2HG PRO 40 -0.473 -17.336 3.946
280 HD2 PRO 40 1HD PRO 40 1.261 -16.961 1.900
281 HD3 PRO 40 2HD PRO 40 0.295 -15.640 2.588
282 H SER 41 H SER 41 3.958 -16.106 6.788
283 HA SER 41 HA SER 41 5.509 -18.406 5.794
284 HB2 SER 41 1HB SER 41 6.550 -16.035 7.364
285 HB3 SER 41 2HB SER 41 7.499 -17.444 6.893
286 HG SER 41 HG SER 41 6.309 -15.508 5.201
287 H GLY 42 H GLY 42 4.712 -20.052 6.977
288 HA2 GLY 42 1HA GLY 42 4.962 -21.338 8.971
289 HA3 GLY 42 2HA GLY 42 5.004 -19.843 9.893
290 HA PRO 43 HA PRO 43 0.827 -21.474 10.664
291 HB2 PRO 43 1HB PRO 43 0.584 -20.273 13.087
292 HB3 PRO 43 2HB PRO 43 1.423 -21.812 12.858
293 HG2 PRO 43 1HG PRO 43 2.559 -19.054 13.111
294 HG3 PRO 43 2HG PRO 43 3.121 -20.567 13.845
295 HD2 PRO 43 1HD PRO 43 4.281 -19.496 11.645
296 HD3 PRO 43 2HD PRO 43 4.194 -21.247 11.922
297 H SER 44 H SER 44 -1.207 -20.445 10.759
298 HA SER 44 HA SER 44 -1.138 -17.558 10.165
299 HB2 SER 44 1HB SER 44 -3.197 -17.952 8.810
300 HB3 SER 44 2HB SER 44 -1.784 -18.802 8.186
301 HG SER 44 HG SER 44 -2.638 -20.626 9.523
302 H SER 45 H SER 45 -1.416 -17.019 12.366
303 HA SER 45 HA SER 45 -4.149 -17.497 13.357
304 HB2 SER 45 1HB SER 45 -3.174 -17.401 15.678
305 HB3 SER 45 2HB SER 45 -2.695 -18.817 14.743
306 HG SER 45 HG SER 45 -0.776 -18.161 15.374
307 H GLY 46 H GLY 46 -1.291 -15.411 13.834
308 HA2 GLY 46 1HA GLY 46 -2.683 -13.247 14.963
309 HA3 GLY 46 2HA GLY 46 -1.112 -13.150 14.181
Start of MODEL 17
1 H1 GLY 1 H GLY 1 -31.572 0.487 -11.724
2 HA2 GLY 1 1HA GLY 1 -30.328 2.384 -12.191
3 HA3 GLY 1 2HA GLY 1 -31.675 2.990 -13.145
4 H SER 2 H SER 2 -29.851 3.613 -10.509
5 HA SER 2 HA SER 2 -32.002 5.197 -9.271
6 HB2 SER 2 1HB SER 2 -31.051 4.777 -7.064
7 HB3 SER 2 2HB SER 2 -31.443 3.245 -7.845
8 HG SER 2 HG SER 2 -29.051 4.168 -6.987
9 H SER 3 H SER 3 -30.876 6.841 -7.661
10 HA SER 3 HA SER 3 -29.257 8.525 -9.319
11 HB2 SER 3 1HB SER 3 -29.319 10.071 -7.354
12 HB3 SER 3 2HB SER 3 -30.917 9.547 -7.885
13 HG SER 3 HG SER 3 -30.027 9.401 -5.483
14 H GLY 4 H GLY 4 -27.271 9.610 -8.366
15 HA2 GLY 4 1HA GLY 4 -25.432 7.502 -7.553
16 HA3 GLY 4 2HA GLY 4 -24.995 9.112 -8.106
17 H SER 5 H SER 5 -23.734 8.007 -5.936
18 HA SER 5 HA SER 5 -24.809 8.466 -3.425
19 HB2 SER 5 1HB SER 5 -22.022 8.432 -4.511
20 HB3 SER 5 2HB SER 5 -22.282 8.984 -2.856
21 HG SER 5 HG SER 5 -23.082 6.486 -3.945
22 H SER 6 H SER 6 -22.761 10.691 -5.316
23 HA SER 6 HA SER 6 -22.507 12.952 -5.253
24 HB2 SER 6 1HB SER 6 -25.062 12.612 -5.731
25 HB3 SER 6 2HB SER 6 -25.259 13.234 -4.093
26 HG SER 6 HG SER 6 -24.641 14.558 -6.382
27 H GLY 7 H GLY 7 -21.467 11.638 -3.058
28 HA2 GLY 7 1HA GLY 7 -22.324 12.907 -0.618
29 HA3 GLY 7 2HA GLY 7 -20.920 11.868 -0.819
30 H THR 8 H THR 8 -20.739 14.069 0.777
31 HA THR 8 HA THR 8 -19.249 16.024 -0.846
32 HB THR 8 HB THR 8 -19.529 17.605 1.006
33 HG1 THR 8 HG1 THR 8 -20.179 16.926 2.900
34 HG21 THR 8 3HG2 THR 8 -21.220 17.754 -0.647
35 HG22 THR 8 1HG2 THR 8 -22.057 17.792 0.904
36 HG23 THR 8 2HG2 THR 8 -22.034 16.309 -0.050
37 H GLY 9 H GLY 9 -17.132 15.636 -0.833
38 HA2 GLY 9 1HA GLY 9 -15.548 15.761 1.456
39 HA3 GLY 9 2HA GLY 9 -15.811 14.058 1.109
40 H GLU 10 H GLU 10 -15.513 13.599 -1.384
41 HA GLU 10 HA GLU 10 -13.932 13.265 -2.993
42 HB2 GLU 10 1HB GLU 10 -13.818 16.266 -2.695
43 HB3 GLU 10 2HB GLU 10 -12.984 15.392 -3.971
44 HG2 GLU 10 1HG GLU 10 -15.905 14.965 -3.599
45 HG3 GLU 10 2HG GLU 10 -15.341 16.443 -4.377
46 H LYS 11 H LYS 11 -12.905 12.514 -0.662
47 HA LYS 11 HA LYS 11 -10.618 13.796 0.285
48 HB2 LYS 11 1HB LYS 11 -11.662 11.011 0.364
49 HB3 LYS 11 2HB LYS 11 -9.970 11.251 0.779
50 HG2 LYS 11 1HG LYS 11 -11.171 11.312 2.805
51 HG3 LYS 11 2HG LYS 11 -10.738 12.983 2.437
52 HD2 LYS 11 1HD LYS 11 -12.979 13.367 1.535
53 HD3 LYS 11 2HD LYS 11 -13.412 11.692 1.886
54 HE2 LYS 11 1HE LYS 11 -14.276 13.124 3.623
55 HE3 LYS 11 2HE LYS 11 -12.984 12.122 4.281
56 HZ1 LYS 11 3HZ LYS 11 -13.092 14.999 3.912
57 HZ2 LYS 11 1HZ LYS 11 -11.612 14.273 3.530
58 HZ3 LYS 11 2HZ LYS 11 -12.272 14.085 5.076
59 HA PRO 12 HA PRO 12 -7.642 13.294 -2.919
60 HB2 PRO 12 1HB PRO 12 -5.374 13.460 -1.436
61 HB3 PRO 12 2HB PRO 12 -6.390 14.860 -1.798
62 HG2 PRO 12 1HG PRO 12 -6.282 13.189 0.683
63 HG3 PRO 12 2HG PRO 12 -6.385 14.952 0.526
64 HD2 PRO 12 1HD PRO 12 -8.541 13.410 1.078
65 HD3 PRO 12 2HD PRO 12 -8.656 14.910 0.136
66 H TYR 13 H TYR 13 -7.123 11.385 0.038
67 HA TYR 13 HA TYR 13 -6.468 9.075 -1.641
68 HB2 TYR 13 1HB TYR 13 -4.858 9.697 0.829
69 HB3 TYR 13 2HB TYR 13 -4.508 8.521 -0.433
70 HD1 TYR 13 HD2 TYR 13 -4.047 9.476 -2.802
71 HD2 TYR 13 HD1 TYR 13 -3.860 11.797 0.759
72 HE1 TYR 13 HE2 TYR 13 -2.641 11.128 -3.960
73 HE2 TYR 13 HE1 TYR 13 -2.454 13.456 -0.390
74 HH TYR 13 HH TYR 13 -0.815 12.936 -3.073
75 H LYS 14 H LYS 14 -8.044 7.691 -1.172
76 HA LYS 14 HA LYS 14 -8.536 7.052 1.648
77 HB2 LYS 14 1HB LYS 14 -10.369 8.485 1.084
78 HB3 LYS 14 2HB LYS 14 -10.633 7.647 -0.439
79 HG2 LYS 14 1HG LYS 14 -11.021 5.584 1.149
80 HG3 LYS 14 2HG LYS 14 -11.384 6.851 2.323
81 HD2 LYS 14 1HD LYS 14 -13.132 7.722 0.960
82 HD3 LYS 14 2HD LYS 14 -12.656 6.710 -0.405
83 HE2 LYS 14 1HE LYS 14 -14.568 5.694 0.558
84 HE3 LYS 14 2HE LYS 14 -13.183 4.714 1.036
85 HZ1 LYS 14 3HZ LYS 14 -13.462 5.222 3.186
86 HZ2 LYS 14 1HZ LYS 14 -15.042 5.620 2.731
87 HZ3 LYS 14 2HZ LYS 14 -13.874 6.834 2.879
88 H CYS 15 H CYS 15 -8.244 4.957 1.986
89 HA CYS 15 HA CYS 15 -7.900 3.116 -0.164
90 HB2 CYS 15 1HB CYS 15 -6.691 3.002 2.031
91 HB3 CYS 15 2HB CYS 15 -8.201 2.490 2.778
92 H ASN 16 H ASN 16 -9.413 2.022 -1.213
93 HA ASN 16 HA ASN 16 -12.146 2.047 -0.289
94 HB2 ASN 16 1HB ASN 16 -11.385 2.307 -2.714
95 HB3 ASN 16 2HB ASN 16 -11.085 0.571 -2.697
96 HD21 ASN 16 1HD2 ASN 16 -13.198 2.735 -3.719
97 HD22 ASN 16 2HD2 ASN 16 -14.674 1.846 -3.591
98 H GLU 17 H GLU 17 -9.486 -0.194 -0.385
99 HA GLU 17 HA GLU 17 -10.742 -2.639 -0.197
100 HB2 GLU 17 1HB GLU 17 -8.217 -1.628 1.104
101 HB3 GLU 17 2HB GLU 17 -8.738 -3.302 1.234
102 HG2 GLU 17 1HG GLU 17 -8.255 -1.889 -1.376
103 HG3 GLU 17 2HG GLU 17 -7.053 -2.873 -0.542
104 H CYS 18 H CYS 18 -9.765 -0.566 2.537
105 HA CYS 18 HA CYS 18 -11.660 -2.037 4.236
106 HB2 CYS 18 1HB CYS 18 -10.400 -1.033 6.136
107 HB3 CYS 18 2HB CYS 18 -9.407 -2.058 5.106
108 H GLY 19 H GLY 19 -10.579 1.251 3.433
109 HA2 GLY 19 1HA GLY 19 -12.357 2.887 2.968
110 HA3 GLY 19 2HA GLY 19 -13.219 2.216 4.344
111 H LYS 20 H LYS 20 -9.806 3.133 4.010
112 HA LYS 20 HA LYS 20 -10.165 4.922 6.319
113 HB2 LYS 20 1HB LYS 20 -7.880 3.244 5.363
114 HB3 LYS 20 2HB LYS 20 -7.542 4.692 6.302
115 HG2 LYS 20 1HG LYS 20 -9.184 3.756 8.015
116 HG3 LYS 20 2HG LYS 20 -9.045 2.235 7.131
117 HD2 LYS 20 1HD LYS 20 -7.436 2.034 8.802
118 HD3 LYS 20 2HD LYS 20 -6.502 2.564 7.401
119 HE2 LYS 20 1HE LYS 20 -5.747 3.871 9.217
120 HE3 LYS 20 2HE LYS 20 -6.794 4.923 8.266
121 HZ1 LYS 20 3HZ LYS 20 -7.753 3.425 10.635
122 HZ2 LYS 20 1HZ LYS 20 -8.525 4.696 9.828
123 HZ3 LYS 20 2HZ LYS 20 -7.129 4.994 10.735
124 H VAL 21 H VAL 21 -8.288 6.666 6.296
125 HA VAL 21 HA VAL 21 -7.941 7.782 3.615
126 HB VAL 21 HB VAL 21 -9.060 9.426 5.887
127 HG11 VAL 21 1HG1 VAL 21 -7.613 10.600 4.234
128 HG12 VAL 21 2HG1 VAL 21 -8.749 10.122 2.971
129 HG13 VAL 21 3HG1 VAL 21 -9.276 11.187 4.276
130 HG21 VAL 21 3HG2 VAL 21 -10.987 9.482 4.007
131 HG22 VAL 21 1HG2 VAL 21 -10.371 7.846 3.771
132 HG23 VAL 21 2HG2 VAL 21 -10.970 8.344 5.354
133 H PHE 22 H PHE 22 -6.086 8.941 3.351
134 HA PHE 22 HA PHE 22 -4.495 9.579 5.730
135 HB2 PHE 22 1HB PHE 22 -3.211 8.326 3.313
136 HB3 PHE 22 2HB PHE 22 -2.548 8.517 4.933
137 HD1 PHE 22 HD1 PHE 22 -5.129 6.707 2.986
138 HD2 PHE 22 HD2 PHE 22 -2.761 6.820 6.521
139 HE1 PHE 22 HE1 PHE 22 -5.872 4.431 3.552
140 HE2 PHE 22 HE2 PHE 22 -3.500 4.544 7.092
141 HZ PHE 22 HZ PHE 22 -5.056 3.346 5.607
142 H THR 23 H THR 23 -3.462 11.489 5.624
143 HA THR 23 HA THR 23 -4.083 13.319 3.565
144 HB THR 23 HB THR 23 -3.625 14.050 5.864
145 HG1 THR 23 HG1 THR 23 -1.888 15.676 5.127
146 HG21 THR 23 3HG2 THR 23 -1.318 14.150 6.691
147 HG22 THR 23 1HG2 THR 23 -0.764 13.296 5.252
148 HG23 THR 23 2HG2 THR 23 -1.823 12.485 6.405
149 H GLN 24 H GLN 24 -1.129 11.520 4.343
150 HA GLN 24 HA GLN 24 0.186 12.574 1.964
151 HB2 GLN 24 1HB GLN 24 1.121 10.876 4.269
152 HB3 GLN 24 2HB GLN 24 2.109 11.122 2.836
153 HG2 GLN 24 1HG GLN 24 1.755 13.631 3.288
154 HG3 GLN 24 2HG GLN 24 1.256 13.112 4.898
155 HE21 GLN 24 1HE2 GLN 24 3.882 13.515 2.704
156 HE22 GLN 24 2HE2 GLN 24 5.151 13.138 3.814
157 H ASN 25 H ASN 25 0.164 11.547 0.083
158 HA ASN 25 HA ASN 25 -1.273 9.291 -0.509
159 HB2 ASN 25 1HB ASN 25 -0.665 10.415 -2.416
160 HB3 ASN 25 2HB ASN 25 0.975 10.713 -1.847
161 HD21 ASN 25 1HD2 ASN 25 2.557 9.469 -2.590
162 HD22 ASN 25 2HD2 ASN 25 2.344 8.021 -3.508
163 H SER 26 H SER 26 2.174 9.483 0.302
164 HA SER 26 HA SER 26 2.901 6.848 -0.108
165 HB2 SER 26 1HB SER 26 3.853 8.913 1.866
166 HB3 SER 26 2HB SER 26 4.557 7.297 1.825
167 HG SER 26 HG SER 26 5.712 8.758 0.502
168 H HIS 27 H HIS 27 1.585 8.314 2.853
169 HA HIS 27 HA HIS 27 1.626 6.140 4.535
170 HB2 HIS 27 1HB HIS 27 -0.327 8.413 4.267
171 HB3 HIS 27 2HB HIS 27 -0.532 7.176 5.504
172 HD2 HIS 27 HD2 HIS 27 2.862 7.132 6.085
173 HE1 HIS 27 HE1 HIS 27 1.972 11.020 7.530
174 HE2 HIS 27 HE2 HIS 27 3.681 9.172 7.448
175 H LEU 28 H LEU 28 -0.955 7.019 2.249
176 HA LEU 28 HA LEU 28 -2.630 4.833 2.803
177 HB2 LEU 28 1HB LEU 28 -3.610 6.615 1.658
178 HB3 LEU 28 2HB LEU 28 -2.323 6.667 0.455
179 HG LEU 28 HG LEU 28 -3.179 4.512 -0.458
180 HD11 LEU 28 1HD1 LEU 28 -5.386 3.748 0.181
181 HD12 LEU 28 2HD1 LEU 28 -5.507 5.029 1.387
182 HD13 LEU 28 3HD1 LEU 28 -4.315 3.744 1.582
183 HD21 LEU 28 3HD2 LEU 28 -3.795 6.788 -1.334
184 HD22 LEU 28 1HD2 LEU 28 -5.291 6.656 -0.409
185 HD23 LEU 28 2HD2 LEU 28 -4.946 5.501 -1.696
186 H ALA 29 H ALA 29 -0.089 5.278 0.373
187 HA ALA 29 HA ALA 29 -0.406 2.897 -1.030
188 HB1 ALA 29 3HB ALA 29 1.200 3.912 -2.180
189 HB2 ALA 29 1HB ALA 29 1.587 4.961 -0.815
190 HB3 ALA 29 2HB ALA 29 2.347 3.375 -0.952
191 H ASN 30 H ASN 30 2.089 3.487 1.457
192 HA ASN 30 HA ASN 30 2.913 0.871 1.777
193 HB2 ASN 30 1HB ASN 30 3.785 3.124 2.820
194 HB3 ASN 30 2HB ASN 30 2.761 2.659 4.175
195 HD21 ASN 30 1HD2 ASN 30 3.839 1.681 5.710
196 HD22 ASN 30 2HD2 ASN 30 5.178 0.610 5.500
197 H HIS 31 H HIS 31 0.012 2.390 2.878
198 HA HIS 31 HA HIS 31 -0.615 0.460 4.903
199 HB2 HIS 31 1HB HIS 31 -1.680 2.488 5.285
200 HB3 HIS 31 2HB HIS 31 -2.082 2.715 3.586
201 HD1 HIS 31 HD1 HIS 31 -3.130 0.568 6.533
202 HD2 HIS 31 HD2 HIS 31 -4.619 1.984 2.922
203 HE1 HIS 31 HE1 HIS 31 -5.550 -0.114 6.489
204 H GLN 32 H GLN 32 -2.074 1.156 1.720
205 HA GLN 32 HA GLN 32 -3.844 -0.875 1.482
206 HB2 GLN 32 1HB GLN 32 -2.029 0.403 -0.529
207 HB3 GLN 32 2HB GLN 32 -3.061 -0.936 -1.016
208 HG2 GLN 32 1HG GLN 32 -5.031 0.292 -0.351
209 HG3 GLN 32 2HG GLN 32 -4.033 1.613 0.256
210 HE21 GLN 32 1HE2 GLN 32 -5.739 0.426 -2.359
211 HE22 GLN 32 2HE2 GLN 32 -5.134 1.493 -3.576
212 H ARG 33 H ARG 33 -0.407 -1.170 1.605
213 HA ARG 33 HA ARG 33 0.081 -3.569 0.341
214 HB2 ARG 33 1HB ARG 33 1.284 -2.549 2.921
215 HB3 ARG 33 2HB ARG 33 1.945 -3.861 1.955
216 HG2 ARG 33 1HG ARG 33 2.115 -2.219 0.052
217 HG3 ARG 33 2HG ARG 33 1.731 -0.956 1.224
218 HD2 ARG 33 1HD ARG 33 4.068 -0.975 1.137
219 HD3 ARG 33 2HD ARG 33 3.678 -1.888 2.593
220 HE ARG 33 HE ARG 33 3.903 -3.682 0.458
221 HH11 ARG 33 1HH1 ARG 33 5.894 -1.540 2.348
222 HH12 ARG 33 2HH1 ARG 33 7.332 -2.485 2.143
223 HH21 ARG 33 1HH2 ARG 33 5.790 -4.934 0.181
224 HH22 ARG 33 2HH2 ARG 33 7.271 -4.414 0.910
225 H ILE 34 H ILE 34 -1.121 -3.035 3.632
226 HA ILE 34 HA ILE 34 -1.105 -5.635 4.573
227 HB ILE 34 HB ILE 34 -2.821 -4.999 6.135
228 HG12 ILE 34 1HG1 ILE 34 -3.267 -2.358 4.820
229 HG13 ILE 34 2HG1 ILE 34 -4.091 -3.763 4.154
230 HG21 ILE 34 1HG2 ILE 34 -1.740 -2.395 6.277
231 HG22 ILE 34 2HG2 ILE 34 -1.250 -3.831 7.176
232 HG23 ILE 34 3HG2 ILE 34 -0.480 -3.450 5.636
233 HD11 ILE 34 3HD1 ILE 34 -4.316 -3.558 7.050
234 HD12 ILE 34 1HD1 ILE 34 -5.009 -2.186 6.185
235 HD13 ILE 34 2HD1 ILE 34 -5.558 -3.824 5.827
236 H HIS 35 H HIS 35 -3.059 -4.241 2.116
237 HA HIS 35 HA HIS 35 -5.040 -6.379 2.240
238 HB2 HIS 35 1HB HIS 35 -4.829 -4.026 0.349
239 HB3 HIS 35 2HB HIS 35 -6.182 -5.149 0.448
240 HD1 HIS 35 HD1 HIS 35 -6.776 -5.253 3.382
241 HD2 HIS 35 HD2 HIS 35 -5.746 -1.730 1.436
242 HE1 HIS 35 HE1 HIS 35 -7.686 -3.400 4.818
243 H THR 36 H THR 36 -3.091 -4.931 -0.377
244 HA THR 36 HA THR 36 -3.343 -6.923 -2.245
245 HB THR 36 HB THR 36 -2.129 -4.684 -2.479
246 HG1 THR 36 HG1 THR 36 -0.582 -6.714 -3.649
247 HG21 THR 36 3HG2 THR 36 -0.516 -5.263 -0.590
248 HG22 THR 36 1HG2 THR 36 0.187 -4.565 -2.048
249 HG23 THR 36 2HG2 THR 36 0.303 -6.301 -1.756
250 H GLY 37 H GLY 37 -2.803 -9.002 -2.318
251 HA2 GLY 37 1HA GLY 37 -1.451 -10.312 -0.221
252 HA3 GLY 37 2HA GLY 37 -1.836 -11.014 -1.785
253 H VAL 38 H VAL 38 0.206 -12.128 -1.607
254 HA VAL 38 HA VAL 38 2.660 -10.650 -1.571
255 HB VAL 38 HB VAL 38 2.342 -13.059 -0.800
256 HG11 VAL 38 1HG1 VAL 38 1.161 -13.957 -2.684
257 HG12 VAL 38 2HG1 VAL 38 2.471 -13.509 -3.778
258 HG13 VAL 38 3HG1 VAL 38 2.722 -14.768 -2.569
259 HG21 VAL 38 3HG2 VAL 38 4.555 -11.743 -2.034
260 HG22 VAL 38 1HG2 VAL 38 4.556 -12.925 -0.725
261 HG23 VAL 38 2HG2 VAL 38 4.630 -13.465 -2.403
262 H LYS 39 H LYS 39 0.385 -10.721 -3.848
263 HA LYS 39 HA LYS 39 2.261 -10.863 -6.108
264 HB2 LYS 39 1HB LYS 39 -0.004 -12.195 -5.956
265 HB3 LYS 39 2HB LYS 39 -0.703 -10.662 -6.462
266 HG2 LYS 39 1HG LYS 39 0.755 -10.675 -8.443
267 HG3 LYS 39 2HG LYS 39 1.385 -12.247 -7.944
268 HD2 LYS 39 1HD LYS 39 -1.562 -11.935 -8.185
269 HD3 LYS 39 2HD LYS 39 -0.614 -12.022 -9.671
270 HE2 LYS 39 1HE LYS 39 -1.001 -14.245 -9.352
271 HE3 LYS 39 2HE LYS 39 0.481 -14.079 -8.412
272 HZ1 LYS 39 3HZ LYS 39 -0.781 -15.093 -6.862
273 HZ2 LYS 39 1HZ LYS 39 -2.245 -14.550 -7.511
274 HZ3 LYS 39 2HZ LYS 39 -1.311 -13.518 -6.551
275 HA PRO 40 HA PRO 40 1.752 -6.346 -5.624
276 HB2 PRO 40 1HB PRO 40 4.170 -5.753 -6.708
277 HB3 PRO 40 2HB PRO 40 3.962 -6.199 -5.010
278 HG2 PRO 40 1HG PRO 40 4.850 -7.887 -7.317
279 HG3 PRO 40 2HG PRO 40 5.499 -7.815 -5.668
280 HD2 PRO 40 1HD PRO 40 3.822 -9.776 -6.489
281 HD3 PRO 40 2HD PRO 40 3.838 -9.170 -4.820
282 H SER 41 H SER 41 3.222 -7.972 -8.438
283 HA SER 41 HA SER 41 3.070 -7.553 -10.680
284 HB2 SER 41 1HB SER 41 0.846 -8.575 -10.143
285 HB3 SER 41 2HB SER 41 0.184 -6.947 -9.999
286 HG SER 41 HG SER 41 1.586 -7.559 -12.327
287 H GLY 42 H GLY 42 4.088 -5.368 -9.342
288 HA2 GLY 42 1HA GLY 42 2.705 -2.951 -9.945
289 HA3 GLY 42 2HA GLY 42 4.394 -3.091 -9.481
290 HA PRO 43 HA PRO 43 3.642 -2.558 -14.239
291 HB2 PRO 43 1HB PRO 43 3.090 0.088 -14.493
292 HB3 PRO 43 2HB PRO 43 1.833 -1.146 -14.341
293 HG2 PRO 43 1HG PRO 43 2.967 0.671 -12.249
294 HG3 PRO 43 2HG PRO 43 1.277 0.223 -12.545
295 HD2 PRO 43 1HD PRO 43 2.764 -0.914 -10.588
296 HD3 PRO 43 2HD PRO 43 1.489 -1.796 -11.454
297 H SER 44 H SER 44 5.274 -0.906 -11.709
298 HA SER 44 HA SER 44 7.317 0.092 -13.573
299 HB2 SER 44 1HB SER 44 6.894 0.807 -10.661
300 HB3 SER 44 2HB SER 44 8.066 1.543 -11.753
301 HG SER 44 HG SER 44 6.446 2.506 -12.861
302 H SER 45 H SER 45 9.487 -0.414 -13.283
303 HA SER 45 HA SER 45 10.314 -2.169 -11.144
304 HB2 SER 45 1HB SER 45 11.106 -3.961 -12.683
305 HB3 SER 45 2HB SER 45 9.350 -3.812 -12.651
306 HG SER 45 HG SER 45 11.037 -2.635 -14.607
307 H GLY 46 H GLY 46 12.686 -2.879 -11.569
308 HA2 GLY 46 1HA GLY 46 14.152 -0.883 -13.135
309 HA3 GLY 46 2HA GLY 46 14.462 -0.957 -11.407
Start of MODEL 18
1 H1 GLY 1 H GLY 1 -37.539 5.179 -3.368
2 HA2 GLY 1 1HA GLY 1 -36.202 2.944 -2.974
3 HA3 GLY 1 2HA GLY 1 -37.366 2.367 -4.157
4 H SER 2 H SER 2 -35.225 5.192 -3.748
5 HA SER 2 HA SER 2 -34.054 4.625 -6.364
6 HB2 SER 2 1HB SER 2 -36.055 6.358 -6.392
7 HB3 SER 2 2HB SER 2 -34.810 7.465 -5.813
8 HG SER 2 HG SER 2 -33.811 6.057 -7.838
9 H SER 3 H SER 3 -31.941 5.231 -6.557
10 HA SER 3 HA SER 3 -30.714 7.040 -4.676
11 HB2 SER 3 1HB SER 3 -30.874 4.681 -3.588
12 HB3 SER 3 2HB SER 3 -29.581 4.256 -4.709
13 HG SER 3 HG SER 3 -29.222 5.298 -2.415
14 H GLY 4 H GLY 4 -28.894 7.955 -5.490
15 HA2 GLY 4 1HA GLY 4 -26.959 6.975 -7.114
16 HA3 GLY 4 2HA GLY 4 -28.249 7.366 -8.242
17 H SER 5 H SER 5 -27.216 9.062 -5.301
18 HA SER 5 HA SER 5 -26.420 11.344 -6.980
19 HB2 SER 5 1HB SER 5 -28.410 11.261 -4.760
20 HB3 SER 5 2HB SER 5 -27.384 12.689 -4.891
21 HG SER 5 HG SER 5 -28.847 11.640 -7.077
22 H SER 6 H SER 6 -24.612 9.524 -6.006
23 HA SER 6 HA SER 6 -23.458 9.638 -3.607
24 HB2 SER 6 1HB SER 6 -22.096 9.893 -6.290
25 HB3 SER 6 2HB SER 6 -21.198 9.676 -4.788
26 HG SER 6 HG SER 6 -23.290 7.911 -5.226
27 H GLY 7 H GLY 7 -22.714 12.104 -6.085
28 HA2 GLY 7 1HA GLY 7 -23.020 14.461 -5.197
29 HA3 GLY 7 2HA GLY 7 -21.981 13.929 -3.882
30 H THR 8 H THR 8 -20.877 15.956 -4.799
31 HA THR 8 HA THR 8 -18.951 15.102 -6.863
32 HB THR 8 HB THR 8 -19.933 17.920 -6.364
33 HG1 THR 8 HG1 THR 8 -21.502 17.202 -7.607
34 HG21 THR 8 3HG2 THR 8 -18.704 18.279 -8.587
35 HG22 THR 8 1HG2 THR 8 -17.890 16.755 -8.236
36 HG23 THR 8 2HG2 THR 8 -17.723 18.119 -7.130
37 H GLY 9 H GLY 9 -17.302 14.437 -5.547
38 HA2 GLY 9 1HA GLY 9 -15.488 16.286 -4.558
39 HA3 GLY 9 2HA GLY 9 -16.492 15.812 -3.196
40 H GLU 10 H GLU 10 -13.956 14.890 -5.338
41 HA GLU 10 HA GLU 10 -13.858 12.172 -4.283
42 HB2 GLU 10 1HB GLU 10 -12.151 11.757 -5.937
43 HB3 GLU 10 2HB GLU 10 -13.502 12.578 -6.706
44 HG2 GLU 10 1HG GLU 10 -12.271 14.698 -6.565
45 HG3 GLU 10 2HG GLU 10 -10.907 13.839 -5.852
46 H LYS 11 H LYS 11 -12.339 11.425 -2.894
47 HA LYS 11 HA LYS 11 -10.803 13.394 -1.437
48 HB2 LYS 11 1HB LYS 11 -11.157 10.415 -1.074
49 HB3 LYS 11 2HB LYS 11 -10.176 11.418 -0.013
50 HG2 LYS 11 1HG LYS 11 -12.425 12.810 0.136
51 HG3 LYS 11 2HG LYS 11 -13.123 11.241 -0.273
52 HD2 LYS 11 1HD LYS 11 -13.080 11.055 2.003
53 HD3 LYS 11 2HD LYS 11 -11.476 10.421 1.631
54 HE2 LYS 11 1HE LYS 11 -10.418 12.408 2.267
55 HE3 LYS 11 2HE LYS 11 -11.912 13.338 2.175
56 HZ1 LYS 11 3HZ LYS 11 -12.511 11.505 4.043
57 HZ2 LYS 11 1HZ LYS 11 -11.932 13.059 4.380
58 HZ3 LYS 11 2HZ LYS 11 -10.864 11.748 4.344
59 HA PRO 12 HA PRO 12 -6.915 12.792 -3.387
60 HB2 PRO 12 1HB PRO 12 -5.230 13.206 -1.299
61 HB3 PRO 12 2HB PRO 12 -6.134 14.510 -2.077
62 HG2 PRO 12 1HG PRO 12 -6.742 13.032 0.453
63 HG3 PRO 12 2HG PRO 12 -6.856 14.769 0.118
64 HD2 PRO 12 1HD PRO 12 -9.018 13.138 0.113
65 HD3 PRO 12 2HD PRO 12 -8.890 14.557 -0.947
66 H TYR 13 H TYR 13 -7.041 11.241 -0.173
67 HA TYR 13 HA TYR 13 -6.061 8.764 -1.378
68 HB2 TYR 13 1HB TYR 13 -4.826 9.890 1.138
69 HB3 TYR 13 2HB TYR 13 -4.323 8.457 0.247
70 HD1 TYR 13 HD2 TYR 13 -3.480 8.824 -2.166
71 HD2 TYR 13 HD1 TYR 13 -3.825 11.948 0.701
72 HE1 TYR 13 HE2 TYR 13 -1.894 10.183 -3.465
73 HE2 TYR 13 HE1 TYR 13 -2.241 13.317 -0.591
74 HH TYR 13 HH TYR 13 -0.772 12.091 -3.586
75 H LYS 14 H LYS 14 -7.480 7.253 -0.855
76 HA LYS 14 HA LYS 14 -8.269 6.848 1.888
77 HB2 LYS 14 1HB LYS 14 -9.952 8.458 1.308
78 HB3 LYS 14 2HB LYS 14 -10.293 7.636 -0.209
79 HG2 LYS 14 1HG LYS 14 -10.871 5.632 1.401
80 HG3 LYS 14 2HG LYS 14 -11.123 6.943 2.556
81 HD2 LYS 14 1HD LYS 14 -12.665 8.014 0.948
82 HD3 LYS 14 2HD LYS 14 -12.457 6.636 -0.134
83 HE2 LYS 14 1HE LYS 14 -13.638 5.212 1.237
84 HE3 LYS 14 2HE LYS 14 -13.300 6.157 2.687
85 HZ1 LYS 14 3HZ LYS 14 -14.744 7.892 1.268
86 HZ2 LYS 14 1HZ LYS 14 -15.410 6.823 2.398
87 HZ3 LYS 14 2HZ LYS 14 -15.439 6.438 0.751
88 H CYS 15 H CYS 15 -8.134 4.735 2.202
89 HA CYS 15 HA CYS 15 -7.995 2.887 0.032
90 HB2 CYS 15 1HB CYS 15 -6.804 2.733 2.296
91 HB3 CYS 15 2HB CYS 15 -8.338 2.151 2.934
92 H ASN 16 H ASN 16 -9.762 2.382 -1.092
93 HA ASN 16 HA ASN 16 -12.398 2.483 -0.045
94 HB2 ASN 16 1HB ASN 16 -12.975 1.287 -2.215
95 HB3 ASN 16 2HB ASN 16 -12.161 2.840 -2.380
96 HD21 ASN 16 1HD2 ASN 16 -10.290 2.940 -3.454
97 HD22 ASN 16 2HD2 ASN 16 -9.439 1.575 -4.084
98 H GLU 17 H GLU 17 -10.116 -0.145 -0.648
99 HA GLU 17 HA GLU 17 -11.649 -2.371 -0.324
100 HB2 GLU 17 1HB GLU 17 -9.019 -1.994 -0.518
101 HB3 GLU 17 2HB GLU 17 -9.099 -2.305 1.211
102 HG2 GLU 17 1HG GLU 17 -10.439 -4.397 0.564
103 HG3 GLU 17 2HG GLU 17 -9.807 -4.120 -1.058
104 H CYS 18 H CYS 18 -9.991 -0.745 2.387
105 HA CYS 18 HA CYS 18 -11.793 -2.065 4.261
106 HB2 CYS 18 1HB CYS 18 -10.306 -1.150 5.999
107 HB3 CYS 18 2HB CYS 18 -9.410 -2.069 4.794
108 H GLY 19 H GLY 19 -10.796 1.223 3.353
109 HA2 GLY 19 1HA GLY 19 -12.547 2.907 3.118
110 HA3 GLY 19 2HA GLY 19 -13.332 2.189 4.517
111 H LYS 20 H LYS 20 -9.970 3.191 3.916
112 HA LYS 20 HA LYS 20 -10.150 4.859 6.339
113 HB2 LYS 20 1HB LYS 20 -8.000 3.113 5.244
114 HB3 LYS 20 2HB LYS 20 -7.511 4.576 6.088
115 HG2 LYS 20 1HG LYS 20 -8.966 3.808 8.003
116 HG3 LYS 20 2HG LYS 20 -9.094 2.261 7.163
117 HD2 LYS 20 1HD LYS 20 -6.741 1.903 7.306
118 HD3 LYS 20 2HD LYS 20 -6.466 3.550 7.878
119 HE2 LYS 20 1HE LYS 20 -6.372 2.417 9.862
120 HE3 LYS 20 2HE LYS 20 -8.094 2.790 9.804
121 HZ1 LYS 20 3HZ LYS 20 -8.052 0.465 8.519
122 HZ2 LYS 20 1HZ LYS 20 -8.272 0.596 10.192
123 HZ3 LYS 20 2HZ LYS 20 -6.743 0.232 9.566
124 H VAL 21 H VAL 21 -8.421 6.658 6.311
125 HA VAL 21 HA VAL 21 -8.086 7.807 3.637
126 HB VAL 21 HB VAL 21 -9.289 9.329 5.954
127 HG11 VAL 21 1HG1 VAL 21 -9.456 10.623 3.393
128 HG12 VAL 21 2HG1 VAL 21 -8.754 11.212 4.902
129 HG13 VAL 21 3HG1 VAL 21 -7.777 10.256 3.787
130 HG21 VAL 21 3HG2 VAL 21 -10.762 7.660 4.712
131 HG22 VAL 21 1HG2 VAL 21 -11.338 9.324 4.804
132 HG23 VAL 21 2HG2 VAL 21 -10.601 8.728 3.318
133 H PHE 22 H PHE 22 -6.274 9.048 3.386
134 HA PHE 22 HA PHE 22 -4.654 9.607 5.769
135 HB2 PHE 22 1HB PHE 22 -3.425 8.546 3.230
136 HB3 PHE 22 2HB PHE 22 -2.679 8.707 4.816
137 HD1 PHE 22 HD1 PHE 22 -4.904 6.704 2.725
138 HD2 PHE 22 HD2 PHE 22 -3.099 7.087 6.561
139 HE1 PHE 22 HE1 PHE 22 -5.505 4.374 3.237
140 HE2 PHE 22 HE2 PHE 22 -3.698 4.758 7.079
141 HZ PHE 22 HZ PHE 22 -4.901 3.397 5.415
142 H THR 23 H THR 23 -3.221 11.365 5.580
143 HA THR 23 HA THR 23 -4.116 13.397 3.744
144 HB THR 23 HB THR 23 -2.351 14.802 4.898
145 HG1 THR 23 HG1 THR 23 -1.851 13.606 7.048
146 HG21 THR 23 3HG2 THR 23 -4.887 14.101 5.684
147 HG22 THR 23 1HG2 THR 23 -3.918 15.391 6.393
148 HG23 THR 23 2HG2 THR 23 -3.936 13.792 7.136
149 H GLN 24 H GLN 24 -1.215 11.446 4.213
150 HA GLN 24 HA GLN 24 0.015 12.689 1.862
151 HB2 GLN 24 1HB GLN 24 1.236 12.307 4.112
152 HB3 GLN 24 2HB GLN 24 1.328 10.625 3.607
153 HG2 GLN 24 1HG GLN 24 2.500 11.327 1.562
154 HG3 GLN 24 2HG GLN 24 2.456 12.994 2.133
155 HE21 GLN 24 1HE2 GLN 24 4.804 11.597 1.510
156 HE22 GLN 24 2HE2 GLN 24 5.725 11.410 2.959
157 H ASN 25 H ASN 25 0.891 11.383 0.169
158 HA ASN 25 HA ASN 25 -0.853 9.291 -0.643
159 HB2 ASN 25 1HB ASN 25 0.935 9.033 -2.496
160 HB3 ASN 25 2HB ASN 25 0.028 10.541 -2.415
161 HD21 ASN 25 1HD2 ASN 25 1.055 12.355 -1.349
162 HD22 ASN 25 2HD2 ASN 25 2.775 12.506 -1.409
163 H SER 26 H SER 26 2.465 9.377 0.578
164 HA SER 26 HA SER 26 3.133 6.698 0.211
165 HB2 SER 26 1HB SER 26 3.992 8.537 2.458
166 HB3 SER 26 2HB SER 26 4.799 7.041 1.991
167 HG SER 26 HG SER 26 4.468 8.652 -0.146
168 H HIS 27 H HIS 27 1.299 8.263 2.770
169 HA HIS 27 HA HIS 27 1.214 6.138 4.595
170 HB2 HIS 27 1HB HIS 27 -0.585 8.482 4.061
171 HB3 HIS 27 2HB HIS 27 -1.037 7.266 5.252
172 HD2 HIS 27 HD2 HIS 27 2.280 7.071 6.254
173 HE1 HIS 27 HE1 HIS 27 1.320 10.951 7.677
174 HE2 HIS 27 HE2 HIS 27 2.976 9.055 7.761
175 H LEU 28 H LEU 28 -0.910 6.950 1.879
176 HA LEU 28 HA LEU 28 -2.745 4.828 2.335
177 HB2 LEU 28 1HB LEU 28 -3.473 6.711 1.079
178 HB3 LEU 28 2HB LEU 28 -2.149 6.533 -0.071
179 HG LEU 28 HG LEU 28 -3.184 4.424 -0.864
180 HD11 LEU 28 1HD1 LEU 28 -5.712 5.160 0.521
181 HD12 LEU 28 2HD1 LEU 28 -4.488 4.257 1.413
182 HD13 LEU 28 3HD1 LEU 28 -5.162 3.594 -0.076
183 HD21 LEU 28 3HD2 LEU 28 -3.966 5.815 -2.409
184 HD22 LEU 28 1HD2 LEU 28 -4.142 7.114 -1.229
185 HD23 LEU 28 2HD2 LEU 28 -5.447 5.950 -1.461
186 H ALA 29 H ALA 29 -0.150 5.253 -0.072
187 HA ALA 29 HA ALA 29 -0.340 2.738 -1.259
188 HB1 ALA 29 3HB ALA 29 0.964 4.231 -2.442
189 HB2 ALA 29 1HB ALA 29 1.864 4.740 -1.013
190 HB3 ALA 29 2HB ALA 29 2.179 3.163 -1.739
191 H ASN 30 H ASN 30 1.598 3.804 1.514
192 HA ASN 30 HA ASN 30 2.822 1.252 1.910
193 HB2 ASN 30 1HB ASN 30 3.650 3.594 2.667
194 HB3 ASN 30 2HB ASN 30 2.585 3.351 4.049
195 HD21 ASN 30 1HD2 ASN 30 5.223 1.842 2.250
196 HD22 ASN 30 2HD2 ASN 30 5.944 1.064 3.614
197 H HIS 31 H HIS 31 -0.266 2.381 2.471
198 HA HIS 31 HA HIS 31 -0.725 0.699 4.817
199 HB2 HIS 31 1HB HIS 31 -1.839 2.717 5.126
200 HB3 HIS 31 2HB HIS 31 -2.296 2.841 3.429
201 HD1 HIS 31 HD1 HIS 31 -3.308 1.184 6.641
202 HD2 HIS 31 HD2 HIS 31 -4.703 1.630 2.752
203 HE1 HIS 31 HE1 HIS 31 -5.673 0.330 6.673
204 H GLN 32 H GLN 32 -2.164 1.179 1.588
205 HA GLN 32 HA GLN 32 -3.930 -0.870 1.463
206 HB2 GLN 32 1HB GLN 32 -2.050 0.183 -0.635
207 HB3 GLN 32 2HB GLN 32 -3.216 -1.081 -1.002
208 HG2 GLN 32 1HG GLN 32 -5.045 0.339 -0.551
209 HG3 GLN 32 2HG GLN 32 -4.009 1.554 0.196
210 HE21 GLN 32 1HE2 GLN 32 -5.907 1.678 -2.081
211 HE22 GLN 32 2HE2 GLN 32 -4.994 2.331 -3.394
212 H ARG 33 H ARG 33 -0.491 -1.137 1.649
213 HA ARG 33 HA ARG 33 -0.034 -3.652 0.571
214 HB2 ARG 33 1HB ARG 33 1.982 -3.697 1.814
215 HB3 ARG 33 2HB ARG 33 1.676 -2.003 1.457
216 HG2 ARG 33 1HG ARG 33 0.885 -1.616 3.689
217 HG3 ARG 33 2HG ARG 33 0.985 -3.338 4.064
218 HD2 ARG 33 1HD ARG 33 3.454 -3.176 3.559
219 HD3 ARG 33 2HD ARG 33 3.245 -1.426 3.521
220 HE ARG 33 HE ARG 33 2.177 -2.362 5.921
221 HH11 ARG 33 1HH1 ARG 33 5.266 -2.131 4.332
222 HH12 ARG 33 2HH1 ARG 33 6.164 -2.017 5.810
223 HH21 ARG 33 1HH2 ARG 33 3.348 -2.213 7.873
224 HH22 ARG 33 2HH2 ARG 33 5.071 -2.065 7.823
225 H ILE 34 H ILE 34 -1.129 -2.769 3.820
226 HA ILE 34 HA ILE 34 -1.024 -5.132 5.159
227 HB ILE 34 HB ILE 34 -2.871 -4.431 6.501
228 HG12 ILE 34 1HG1 ILE 34 -3.574 -2.339 4.444
229 HG13 ILE 34 2HG1 ILE 34 -4.334 -3.927 4.466
230 HG21 ILE 34 1HG2 ILE 34 -0.672 -2.877 6.027
231 HG22 ILE 34 2HG2 ILE 34 -1.992 -1.722 5.849
232 HG23 ILE 34 3HG2 ILE 34 -1.822 -2.642 7.344
233 HD11 ILE 34 3HD1 ILE 34 -5.724 -3.316 6.076
234 HD12 ILE 34 1HD1 ILE 34 -4.406 -2.697 7.072
235 HD13 ILE 34 2HD1 ILE 34 -5.144 -1.667 5.845
236 H HIS 35 H HIS 35 -3.151 -4.311 2.522
237 HA HIS 35 HA HIS 35 -4.680 -6.777 2.860
238 HB2 HIS 35 1HB HIS 35 -5.048 -4.713 0.692
239 HB3 HIS 35 2HB HIS 35 -6.208 -5.912 1.255
240 HD1 HIS 35 HD1 HIS 35 -7.087 -5.496 3.796
241 HD2 HIS 35 HD2 HIS 35 -5.286 -2.280 1.879
242 HE1 HIS 35 HE1 HIS 35 -7.791 -3.460 5.093
243 H THR 36 H THR 36 -2.010 -7.204 2.272
244 HA THR 36 HA THR 36 -1.738 -7.667 -0.573
245 HB THR 36 HB THR 36 0.413 -8.917 0.395
246 HG1 THR 36 HG1 THR 36 -0.506 -8.385 2.602
247 HG21 THR 36 3HG2 THR 36 -0.174 -6.077 -0.205
248 HG22 THR 36 1HG2 THR 36 0.976 -7.180 -0.960
249 HG23 THR 36 2HG2 THR 36 1.367 -6.418 0.582
250 H GLY 37 H GLY 37 -1.902 -9.654 2.377
251 HA2 GLY 37 1HA GLY 37 -2.111 -11.962 2.584
252 HA3 GLY 37 2HA GLY 37 -3.554 -11.622 1.640
253 H VAL 38 H VAL 38 -3.515 -13.599 0.574
254 HA VAL 38 HA VAL 38 -1.179 -14.176 -1.102
255 HB VAL 38 HB VAL 38 -2.028 -16.019 0.285
256 HG11 VAL 38 1HG1 VAL 38 -4.396 -16.608 -1.266
257 HG12 VAL 38 2HG1 VAL 38 -4.189 -16.514 0.484
258 HG13 VAL 38 3HG1 VAL 38 -4.531 -15.054 -0.445
259 HG21 VAL 38 3HG2 VAL 38 -1.660 -17.616 -1.302
260 HG22 VAL 38 1HG2 VAL 38 -2.742 -16.859 -2.472
261 HG23 VAL 38 2HG2 VAL 38 -1.129 -16.197 -2.205
262 H LYS 39 H LYS 39 -1.199 -13.869 -3.234
263 HA LYS 39 HA LYS 39 -3.792 -13.431 -4.562
264 HB2 LYS 39 1HB LYS 39 -2.887 -11.664 -5.861
265 HB3 LYS 39 2HB LYS 39 -2.416 -11.338 -4.198
266 HG2 LYS 39 1HG LYS 39 -0.582 -12.781 -6.075
267 HG3 LYS 39 2HG LYS 39 -0.671 -11.019 -6.044
268 HD2 LYS 39 1HD LYS 39 -0.373 -11.384 -3.452
269 HD3 LYS 39 2HD LYS 39 0.339 -12.912 -3.976
270 HE2 LYS 39 1HE LYS 39 2.068 -11.238 -3.731
271 HE3 LYS 39 2HE LYS 39 1.884 -11.664 -5.432
272 HZ1 LYS 39 3HZ LYS 39 1.368 -9.579 -5.935
273 HZ2 LYS 39 1HZ LYS 39 1.831 -9.141 -4.367
274 HZ3 LYS 39 2HZ LYS 39 0.208 -9.477 -4.707
275 HA PRO 40 HA PRO 40 -2.609 -16.520 -7.453
276 HB2 PRO 40 1HB PRO 40 -3.952 -15.673 -9.655
277 HB3 PRO 40 2HB PRO 40 -4.757 -16.401 -8.260
278 HG2 PRO 40 1HG PRO 40 -4.464 -13.511 -8.983
279 HG3 PRO 40 2HG PRO 40 -5.887 -14.371 -8.367
280 HD2 PRO 40 1HD PRO 40 -4.304 -12.850 -6.781
281 HD3 PRO 40 2HD PRO 40 -5.143 -14.297 -6.186
282 H SER 41 H SER 41 -1.682 -16.793 -9.686
283 HA SER 41 HA SER 41 0.188 -16.483 -10.972
284 HB2 SER 41 1HB SER 41 -1.008 -13.717 -11.257
285 HB3 SER 41 2HB SER 41 0.082 -14.511 -12.393
286 HG SER 41 HG SER 41 -2.382 -14.568 -12.676
287 H GLY 42 H GLY 42 0.780 -16.144 -8.272
288 HA2 GLY 42 1HA GLY 42 2.910 -14.114 -8.453
289 HA3 GLY 42 2HA GLY 42 1.903 -14.216 -7.017
290 HA PRO 43 HA PRO 43 5.583 -17.331 -7.104
291 HB2 PRO 43 1HB PRO 43 7.592 -15.826 -6.070
292 HB3 PRO 43 2HB PRO 43 7.311 -15.990 -7.807
293 HG2 PRO 43 1HG PRO 43 6.515 -13.772 -5.960
294 HG3 PRO 43 2HG PRO 43 7.197 -13.677 -7.594
295 HD2 PRO 43 1HD PRO 43 4.554 -13.364 -7.098
296 HD3 PRO 43 2HD PRO 43 5.165 -14.083 -8.602
297 H SER 44 H SER 44 6.399 -18.348 -5.221
298 HA SER 44 HA SER 44 4.796 -18.143 -2.941
299 HB2 SER 44 1HB SER 44 6.224 -19.779 -1.950
300 HB3 SER 44 2HB SER 44 6.183 -20.138 -3.676
301 HG SER 44 HG SER 44 8.273 -19.275 -2.095
302 H SER 45 H SER 45 4.758 -16.669 -1.393
303 HA SER 45 HA SER 45 7.027 -14.870 -1.056
304 HB2 SER 45 1HB SER 45 4.690 -13.985 -1.253
305 HB3 SER 45 2HB SER 45 4.317 -14.758 0.287
306 HG SER 45 HG SER 45 6.562 -13.127 0.232
307 H GLY 46 H GLY 46 7.974 -14.432 0.989
308 HA2 GLY 46 1HA GLY 46 8.188 -16.805 2.644
309 HA3 GLY 46 2HA GLY 46 9.164 -15.349 2.772
Start of MODEL 19
1 H1 GLY 1 H GLY 1 -33.223 24.039 11.850
2 HA2 GLY 1 1HA GLY 1 -31.033 26.023 11.773
3 HA3 GLY 1 2HA GLY 1 -31.290 24.919 13.116
4 H SER 2 H SER 2 -28.845 24.853 12.226
5 HA SER 2 HA SER 2 -28.693 22.314 10.775
6 HB2 SER 2 1HB SER 2 -26.756 23.196 9.450
7 HB3 SER 2 2HB SER 2 -28.298 23.948 9.043
8 HG SER 2 HG SER 2 -27.488 25.521 10.814
9 H SER 3 H SER 3 -26.284 21.557 10.796
10 HA SER 3 HA SER 3 -24.734 22.406 13.065
11 HB2 SER 3 1HB SER 3 -26.105 19.708 13.116
12 HB3 SER 3 2HB SER 3 -24.811 20.192 14.211
13 HG SER 3 HG SER 3 -27.419 20.680 14.417
14 H GLY 4 H GLY 4 -22.652 22.118 12.598
15 HA2 GLY 4 1HA GLY 4 -21.927 19.942 10.740
16 HA3 GLY 4 2HA GLY 4 -21.306 21.570 10.514
17 H SER 5 H SER 5 -19.160 20.861 10.693
18 HA SER 5 HA SER 5 -18.192 20.751 13.401
19 HB2 SER 5 1HB SER 5 -18.814 18.325 12.544
20 HB3 SER 5 2HB SER 5 -17.261 18.460 11.720
21 HG SER 5 HG SER 5 -17.769 17.986 14.323
22 H SER 6 H SER 6 -16.738 22.330 13.230
23 HA SER 6 HA SER 6 -15.317 22.941 10.852
24 HB2 SER 6 1HB SER 6 -14.068 24.536 12.257
25 HB3 SER 6 2HB SER 6 -15.804 24.648 12.545
26 HG SER 6 HG SER 6 -14.387 22.886 14.157
27 H GLY 7 H GLY 7 -13.565 22.010 10.037
28 HA2 GLY 7 1HA GLY 7 -11.261 21.309 11.414
29 HA3 GLY 7 2HA GLY 7 -12.252 19.859 11.349
30 H THR 8 H THR 8 -9.734 20.020 10.162
31 HA THR 8 HA THR 8 -9.720 20.715 7.453
32 HB THR 8 HB THR 8 -8.152 18.473 8.741
33 HG1 THR 8 HG1 THR 8 -7.394 20.131 9.850
34 HG21 THR 8 3HG2 THR 8 -7.965 18.332 6.368
35 HG22 THR 8 1HG2 THR 8 -6.487 19.093 6.957
36 HG23 THR 8 2HG2 THR 8 -7.751 20.076 6.219
37 H GLY 9 H GLY 9 -11.327 20.036 6.142
38 HA2 GLY 9 1HA GLY 9 -12.108 17.207 6.211
39 HA3 GLY 9 2HA GLY 9 -13.003 18.503 5.431
40 H GLU 10 H GLU 10 -9.937 16.716 5.218
41 HA GLU 10 HA GLU 10 -10.176 16.871 2.288
42 HB2 GLU 10 1HB GLU 10 -7.809 17.423 4.033
43 HB3 GLU 10 2HB GLU 10 -7.553 16.736 2.435
44 HG2 GLU 10 1HG GLU 10 -8.953 18.659 1.550
45 HG3 GLU 10 2HG GLU 10 -8.777 19.379 3.149
46 H LYS 11 H LYS 11 -10.423 14.923 1.443
47 HA LYS 11 HA LYS 11 -8.986 12.658 2.648
48 HB2 LYS 11 1HB LYS 11 -11.019 11.250 2.053
49 HB3 LYS 11 2HB LYS 11 -11.193 12.331 3.429
50 HG2 LYS 11 1HG LYS 11 -12.471 13.881 2.146
51 HG3 LYS 11 2HG LYS 11 -12.130 13.006 0.651
52 HD2 LYS 11 1HD LYS 11 -13.578 11.750 2.970
53 HD3 LYS 11 2HD LYS 11 -14.417 12.634 1.693
54 HE2 LYS 11 1HE LYS 11 -13.395 11.105 0.032
55 HE3 LYS 11 2HE LYS 11 -12.685 10.187 1.359
56 HZ1 LYS 11 3HZ LYS 11 -15.297 10.311 2.040
57 HZ2 LYS 11 1HZ LYS 11 -14.556 9.003 1.263
58 HZ3 LYS 11 2HZ LYS 11 -15.380 10.170 0.356
59 HA PRO 12 HA PRO 12 -8.378 13.061 -1.985
60 HB2 PRO 12 1HB PRO 12 -5.667 13.176 -1.897
61 HB3 PRO 12 2HB PRO 12 -6.694 14.611 -1.786
62 HG2 PRO 12 1HG PRO 12 -5.353 13.067 0.400
63 HG3 PRO 12 2HG PRO 12 -5.486 14.822 0.190
64 HD2 PRO 12 1HD PRO 12 -7.078 13.434 1.884
65 HD3 PRO 12 2HD PRO 12 -7.632 14.887 1.028
66 H TYR 13 H TYR 13 -6.489 11.268 0.433
67 HA TYR 13 HA TYR 13 -6.367 8.996 -1.434
68 HB2 TYR 13 1HB TYR 13 -4.661 9.457 1.018
69 HB3 TYR 13 2HB TYR 13 -4.439 8.213 -0.207
70 HD1 TYR 13 HD2 TYR 13 -4.756 9.734 -2.697
71 HD2 TYR 13 HD1 TYR 13 -2.755 10.785 0.908
72 HE1 TYR 13 HE2 TYR 13 -3.279 11.240 -3.963
73 HE2 TYR 13 HE1 TYR 13 -1.273 12.295 -0.348
74 HH TYR 13 HH TYR 13 -1.049 12.256 -3.728
75 H LYS 14 H LYS 14 -8.039 7.684 -1.063
76 HA LYS 14 HA LYS 14 -8.589 6.909 1.727
77 HB2 LYS 14 1HB LYS 14 -10.432 8.248 0.852
78 HB3 LYS 14 2HB LYS 14 -10.561 7.192 -0.549
79 HG2 LYS 14 1HG LYS 14 -11.026 5.319 1.113
80 HG3 LYS 14 2HG LYS 14 -11.255 6.598 2.307
81 HD2 LYS 14 1HD LYS 14 -13.037 7.563 1.004
82 HD3 LYS 14 2HD LYS 14 -12.744 6.422 -0.311
83 HE2 LYS 14 1HE LYS 14 -14.633 5.631 0.897
84 HE3 LYS 14 2HE LYS 14 -13.280 4.577 1.303
85 HZ1 LYS 14 3HZ LYS 14 -14.638 6.577 2.970
86 HZ2 LYS 14 1HZ LYS 14 -13.011 6.227 3.272
87 HZ3 LYS 14 2HZ LYS 14 -14.169 4.998 3.355
88 H CYS 15 H CYS 15 -8.444 4.803 2.172
89 HA CYS 15 HA CYS 15 -7.712 2.968 0.070
90 HB2 CYS 15 1HB CYS 15 -6.691 3.033 2.403
91 HB3 CYS 15 2HB CYS 15 -8.184 2.290 2.972
92 H ASN 16 H ASN 16 -9.821 3.180 -1.037
93 HA ASN 16 HA ASN 16 -12.303 2.584 -0.216
94 HB2 ASN 16 1HB ASN 16 -11.007 1.386 -2.675
95 HB3 ASN 16 2HB ASN 16 -12.739 1.561 -2.409
96 HD21 ASN 16 1HD2 ASN 16 -13.320 3.914 -1.744
97 HD22 ASN 16 2HD2 ASN 16 -12.649 5.138 -2.762
98 H GLU 17 H GLU 17 -9.663 0.295 -0.491
99 HA GLU 17 HA GLU 17 -10.947 -2.126 -0.365
100 HB2 GLU 17 1HB GLU 17 -8.362 -1.157 0.808
101 HB3 GLU 17 2HB GLU 17 -8.913 -2.797 1.124
102 HG2 GLU 17 1HG GLU 17 -7.641 -3.179 -0.712
103 HG3 GLU 17 2HG GLU 17 -9.182 -2.840 -1.499
104 H CYS 18 H CYS 18 -9.784 -0.331 2.494
105 HA CYS 18 HA CYS 18 -11.680 -1.831 4.146
106 HB2 CYS 18 1HB CYS 18 -10.407 -0.938 6.057
107 HB3 CYS 18 2HB CYS 18 -9.365 -1.790 4.921
108 H GLY 19 H GLY 19 -10.681 1.517 3.483
109 HA2 GLY 19 1HA GLY 19 -12.570 3.087 3.094
110 HA3 GLY 19 2HA GLY 19 -13.307 2.386 4.527
111 H LYS 20 H LYS 20 -9.896 3.176 4.179
112 HA LYS 20 HA LYS 20 -10.190 5.075 6.399
113 HB2 LYS 20 1HB LYS 20 -7.972 3.317 5.446
114 HB3 LYS 20 2HB LYS 20 -7.560 4.797 6.301
115 HG2 LYS 20 1HG LYS 20 -9.143 4.002 8.123
116 HG3 LYS 20 2HG LYS 20 -9.122 2.439 7.303
117 HD2 LYS 20 1HD LYS 20 -7.431 2.183 8.856
118 HD3 LYS 20 2HD LYS 20 -6.533 2.717 7.432
119 HE2 LYS 20 1HE LYS 20 -5.659 4.055 9.106
120 HE3 LYS 20 2HE LYS 20 -6.899 5.092 8.401
121 HZ1 LYS 20 3HZ LYS 20 -6.655 4.327 11.049
122 HZ2 LYS 20 1HZ LYS 20 -8.013 3.507 10.459
123 HZ3 LYS 20 2HZ LYS 20 -7.926 5.192 10.344
124 H VAL 21 H VAL 21 -8.350 6.821 6.315
125 HA VAL 21 HA VAL 21 -7.976 7.851 3.604
126 HB VAL 21 HB VAL 21 -9.204 9.509 5.812
127 HG11 VAL 21 1HG1 VAL 21 -7.599 10.375 3.780
128 HG12 VAL 21 2HG1 VAL 21 -9.208 10.536 3.072
129 HG13 VAL 21 3HG1 VAL 21 -8.825 11.349 4.590
130 HG21 VAL 21 3HG2 VAL 21 -11.065 8.428 5.122
131 HG22 VAL 21 1HG2 VAL 21 -10.990 9.596 3.803
132 HG23 VAL 21 2HG2 VAL 21 -10.355 7.967 3.575
133 H PHE 22 H PHE 22 -6.088 8.916 3.324
134 HA PHE 22 HA PHE 22 -4.541 9.642 5.716
135 HB2 PHE 22 1HB PHE 22 -3.268 8.390 3.287
136 HB3 PHE 22 2HB PHE 22 -2.561 8.640 4.881
137 HD1 PHE 22 HD1 PHE 22 -4.897 6.602 2.914
138 HD2 PHE 22 HD2 PHE 22 -2.943 7.098 6.663
139 HE1 PHE 22 HE1 PHE 22 -5.566 4.324 3.560
140 HE2 PHE 22 HE2 PHE 22 -3.608 4.820 7.315
141 HZ PHE 22 HZ PHE 22 -4.920 3.430 5.762
142 H THR 23 H THR 23 -3.725 11.633 5.653
143 HA THR 23 HA THR 23 -4.327 13.459 3.639
144 HB THR 23 HB THR 23 -2.682 14.967 4.720
145 HG1 THR 23 HG1 THR 23 -2.169 13.107 6.730
146 HG21 THR 23 3HG2 THR 23 -4.730 15.136 5.770
147 HG22 THR 23 1HG2 THR 23 -3.698 14.660 7.118
148 HG23 THR 23 2HG2 THR 23 -4.709 13.459 6.315
149 H GLN 24 H GLN 24 -1.351 11.633 4.234
150 HA GLN 24 HA GLN 24 -0.176 12.726 1.790
151 HB2 GLN 24 1HB GLN 24 0.961 11.071 4.041
152 HB3 GLN 24 2HB GLN 24 1.858 11.422 2.570
153 HG2 GLN 24 1HG GLN 24 0.681 13.632 4.203
154 HG3 GLN 24 2HG GLN 24 2.221 12.899 4.647
155 HE21 GLN 24 1HE2 GLN 24 2.846 15.208 4.267
156 HE22 GLN 24 2HE2 GLN 24 3.343 15.636 2.668
157 H ASN 25 H ASN 25 0.540 11.420 0.088
158 HA ASN 25 HA ASN 25 -1.122 9.230 -0.550
159 HB2 ASN 25 1HB ASN 25 -0.368 10.249 -2.463
160 HB3 ASN 25 2HB ASN 25 1.235 10.553 -1.799
161 HD21 ASN 25 1HD2 ASN 25 -0.778 8.362 -3.528
162 HD22 ASN 25 2HD2 ASN 25 0.449 7.217 -3.936
163 H SER 26 H SER 26 2.369 9.343 0.172
164 HA SER 26 HA SER 26 3.014 6.702 0.045
165 HB2 SER 26 1HB SER 26 4.809 7.139 1.590
166 HB3 SER 26 2HB SER 26 4.571 8.590 0.617
167 HG SER 26 HG SER 26 3.596 8.142 3.246
168 H HIS 27 H HIS 27 1.479 8.357 2.776
169 HA HIS 27 HA HIS 27 1.453 6.283 4.614
170 HB2 HIS 27 1HB HIS 27 -0.368 8.615 4.128
171 HB3 HIS 27 2HB HIS 27 -0.780 7.423 5.357
172 HD2 HIS 27 HD2 HIS 27 2.617 7.243 6.156
173 HE1 HIS 27 HE1 HIS 27 1.685 11.097 7.664
174 HE2 HIS 27 HE2 HIS 27 3.373 9.228 7.632
175 H LEU 28 H LEU 28 -0.799 6.966 1.976
176 HA LEU 28 HA LEU 28 -2.577 4.827 2.634
177 HB2 LEU 28 1HB LEU 28 -3.518 6.623 1.445
178 HB3 LEU 28 2HB LEU 28 -2.237 6.597 0.234
179 HG LEU 28 HG LEU 28 -3.152 4.379 -0.529
180 HD11 LEU 28 1HD1 LEU 28 -5.425 5.180 1.281
181 HD12 LEU 28 2HD1 LEU 28 -4.392 3.760 1.448
182 HD13 LEU 28 3HD1 LEU 28 -5.491 3.895 0.075
183 HD21 LEU 28 3HD2 LEU 28 -5.299 6.424 -0.802
184 HD22 LEU 28 1HD2 LEU 28 -4.555 5.395 -2.026
185 HD23 LEU 28 2HD2 LEU 28 -3.685 6.799 -1.408
186 H ALA 29 H ALA 29 -0.097 5.294 0.128
187 HA ALA 29 HA ALA 29 -0.336 2.852 -1.167
188 HB1 ALA 29 3HB ALA 29 1.819 4.859 -0.865
189 HB2 ALA 29 1HB ALA 29 2.284 3.262 -1.453
190 HB3 ALA 29 2HB ALA 29 1.072 4.203 -2.322
191 H ASN 30 H ASN 30 1.595 3.693 1.686
192 HA ASN 30 HA ASN 30 2.844 1.174 1.966
193 HB2 ASN 30 1HB ASN 30 2.331 3.427 3.907
194 HB3 ASN 30 2HB ASN 30 3.195 1.963 4.369
195 HD21 ASN 30 1HD2 ASN 30 5.305 2.101 4.252
196 HD22 ASN 30 2HD2 ASN 30 6.206 3.126 3.193
197 H HIS 31 H HIS 31 -0.236 2.445 3.016
198 HA HIS 31 HA HIS 31 -0.809 0.317 4.845
199 HB2 HIS 31 1HB HIS 31 -1.907 2.414 5.211
200 HB3 HIS 31 2HB HIS 31 -2.541 2.436 3.568
201 HD1 HIS 31 HD1 HIS 31 -2.850 0.199 6.637
202 HD2 HIS 31 HD2 HIS 31 -5.109 1.615 3.451
203 HE1 HIS 31 HE1 HIS 31 -5.170 -0.699 7.006
204 H GLN 32 H GLN 32 -2.093 1.167 1.627
205 HA GLN 32 HA GLN 32 -3.818 -0.799 1.083
206 HB2 GLN 32 1HB GLN 32 -1.616 0.227 -0.705
207 HB3 GLN 32 2HB GLN 32 -2.893 -0.836 -1.280
208 HG2 GLN 32 1HG GLN 32 -4.545 0.869 -0.488
209 HG3 GLN 32 2HG GLN 32 -3.183 1.944 -0.177
210 HE21 GLN 32 1HE2 GLN 32 -5.536 1.378 -2.290
211 HE22 GLN 32 2HE2 GLN 32 -4.790 1.905 -3.756
212 H ARG 33 H ARG 33 -0.379 -1.221 1.484
213 HA ARG 33 HA ARG 33 0.143 -3.636 0.335
214 HB2 ARG 33 1HB ARG 33 1.044 -2.665 3.052
215 HB3 ARG 33 2HB ARG 33 1.752 -4.031 2.201
216 HG2 ARG 33 1HG ARG 33 2.023 -2.213 0.290
217 HG3 ARG 33 2HG ARG 33 2.008 -1.128 1.682
218 HD2 ARG 33 1HD ARG 33 3.879 -3.436 1.177
219 HD3 ARG 33 2HD ARG 33 4.282 -1.719 1.198
220 HE ARG 33 HE ARG 33 3.885 -3.448 3.486
221 HH11 ARG 33 1HH1 ARG 33 4.129 -0.185 2.297
222 HH12 ARG 33 2HH1 ARG 33 4.541 0.485 3.840
223 HH21 ARG 33 1HH2 ARG 33 4.426 -2.578 5.524
224 HH22 ARG 33 2HH2 ARG 33 4.710 -0.877 5.675
225 H ILE 34 H ILE 34 -1.242 -3.159 3.582
226 HA ILE 34 HA ILE 34 -1.526 -5.777 4.367
227 HB ILE 34 HB ILE 34 -3.271 -5.086 5.850
228 HG12 ILE 34 1HG1 ILE 34 -3.509 -2.468 4.377
229 HG13 ILE 34 2HG1 ILE 34 -4.526 -3.849 3.983
230 HG21 ILE 34 1HG2 ILE 34 -2.135 -2.558 6.206
231 HG22 ILE 34 2HG2 ILE 34 -1.655 -4.067 6.982
232 HG23 ILE 34 3HG2 ILE 34 -0.865 -3.552 5.492
233 HD11 ILE 34 3HD1 ILE 34 -4.347 -2.617 6.719
234 HD12 ILE 34 1HD1 ILE 34 -5.571 -2.204 5.517
235 HD13 ILE 34 2HD1 ILE 34 -5.488 -3.843 6.166
236 H HIS 35 H HIS 35 -3.357 -4.021 1.986
237 HA HIS 35 HA HIS 35 -5.365 -6.125 1.789
238 HB2 HIS 35 1HB HIS 35 -5.056 -3.521 0.279
239 HB3 HIS 35 2HB HIS 35 -6.396 -4.647 0.079
240 HD1 HIS 35 HD1 HIS 35 -7.707 -5.122 2.496
241 HD2 HIS 35 HD2 HIS 35 -5.594 -1.571 2.064
242 HE1 HIS 35 HE1 HIS 35 -8.628 -3.574 4.251
243 H THR 36 H THR 36 -2.636 -6.778 1.155
244 HA THR 36 HA THR 36 -2.920 -7.389 -1.716
245 HB THR 36 HB THR 36 -0.245 -7.263 -0.353
246 HG1 THR 36 HG1 THR 36 -1.724 -5.204 -0.403
247 HG21 THR 36 3HG2 THR 36 -0.252 -8.326 -2.505
248 HG22 THR 36 1HG2 THR 36 0.473 -6.729 -2.689
249 HG23 THR 36 2HG2 THR 36 -1.189 -7.007 -3.208
250 H GLY 37 H GLY 37 -4.110 -9.097 -0.009
251 HA2 GLY 37 1HA GLY 37 -2.257 -11.234 0.682
252 HA3 GLY 37 2HA GLY 37 -3.982 -11.199 1.018
253 H VAL 38 H VAL 38 -5.183 -12.562 -0.115
254 HA VAL 38 HA VAL 38 -4.535 -13.129 -2.895
255 HB VAL 38 HB VAL 38 -4.761 -15.342 -0.850
256 HG11 VAL 38 1HG1 VAL 38 -5.529 -16.517 -2.591
257 HG12 VAL 38 2HG1 VAL 38 -5.060 -15.274 -3.752
258 HG13 VAL 38 3HG1 VAL 38 -3.873 -16.453 -3.193
259 HG21 VAL 38 3HG2 VAL 38 -2.587 -14.072 -0.914
260 HG22 VAL 38 1HG2 VAL 38 -2.464 -15.800 -1.241
261 HG23 VAL 38 2HG2 VAL 38 -2.391 -14.644 -2.571
262 H LYS 39 H LYS 39 -6.305 -13.521 -4.114
263 HA LYS 39 HA LYS 39 -8.856 -13.996 -2.725
264 HB2 LYS 39 1HB LYS 39 -9.967 -12.476 -4.305
265 HB3 LYS 39 2HB LYS 39 -8.750 -11.640 -3.348
266 HG2 LYS 39 1HG LYS 39 -7.178 -11.936 -5.289
267 HG3 LYS 39 2HG LYS 39 -8.568 -12.493 -6.224
268 HD2 LYS 39 1HD LYS 39 -9.695 -10.377 -5.864
269 HD3 LYS 39 2HD LYS 39 -8.373 -9.821 -4.835
270 HE2 LYS 39 1HE LYS 39 -7.821 -8.827 -6.831
271 HE3 LYS 39 2HE LYS 39 -6.917 -10.336 -6.948
272 HZ1 LYS 39 3HZ LYS 39 -7.979 -10.158 -8.986
273 HZ2 LYS 39 1HZ LYS 39 -9.419 -9.576 -8.315
274 HZ3 LYS 39 2HZ LYS 39 -8.996 -11.203 -8.128
275 HA PRO 40 HA PRO 40 -9.119 -17.364 -5.587
276 HB2 PRO 40 1HB PRO 40 -11.698 -18.040 -5.073
277 HB3 PRO 40 2HB PRO 40 -10.367 -18.423 -3.975
278 HG2 PRO 40 1HG PRO 40 -12.344 -16.179 -3.844
279 HG3 PRO 40 2HG PRO 40 -11.743 -17.218 -2.539
280 HD2 PRO 40 1HD PRO 40 -10.805 -14.713 -2.955
281 HD3 PRO 40 2HD PRO 40 -9.788 -16.019 -2.314
282 H SER 41 H SER 41 -11.956 -15.199 -5.424
283 HA SER 41 HA SER 41 -13.476 -14.673 -7.090
284 HB2 SER 41 1HB SER 41 -12.468 -13.153 -8.709
285 HB3 SER 41 2HB SER 41 -11.732 -12.908 -7.125
286 HG SER 41 HG SER 41 -10.582 -14.659 -9.013
287 H GLY 42 H GLY 42 -13.222 -17.313 -7.334
288 HA2 GLY 42 1HA GLY 42 -12.584 -17.851 -10.157
289 HA3 GLY 42 2HA GLY 42 -12.709 -19.066 -8.894
290 HA PRO 43 HA PRO 43 -16.801 -18.280 -11.295
291 HB2 PRO 43 1HB PRO 43 -16.574 -20.109 -13.289
292 HB3 PRO 43 2HB PRO 43 -16.060 -18.427 -13.465
293 HG2 PRO 43 1HG PRO 43 -14.416 -20.859 -12.877
294 HG3 PRO 43 2HG PRO 43 -14.071 -19.515 -13.982
295 HD2 PRO 43 1HD PRO 43 -12.962 -19.697 -11.518
296 HD3 PRO 43 2HD PRO 43 -13.340 -18.140 -12.282
297 H SER 44 H SER 44 -15.172 -20.557 -9.581
298 HA SER 44 HA SER 44 -15.905 -22.275 -8.263
299 HB2 SER 44 1HB SER 44 -18.114 -20.968 -8.331
300 HB3 SER 44 2HB SER 44 -18.611 -22.107 -9.583
301 HG SER 44 HG SER 44 -18.910 -23.568 -8.105
302 H SER 45 H SER 45 -14.459 -22.913 -10.408
303 HA SER 45 HA SER 45 -15.395 -25.557 -11.042
304 HB2 SER 45 1HB SER 45 -15.244 -23.425 -13.167
305 HB3 SER 45 2HB SER 45 -15.057 -25.134 -13.561
306 HG SER 45 HG SER 45 -17.262 -24.138 -13.634
307 H GLY 46 H GLY 46 -13.654 -26.767 -10.734
308 HA2 GLY 46 1HA GLY 46 -11.480 -27.501 -10.762
309 HA3 GLY 46 2HA GLY 46 -11.263 -26.484 -12.178
Start of MODEL 20
1 H1 GLY 1 H GLY 1 -33.861 16.996 3.224
2 HA2 GLY 1 1HA GLY 1 -33.663 17.987 5.868
3 HA3 GLY 1 2HA GLY 1 -33.107 16.320 5.819
4 H SER 2 H SER 2 -32.450 19.598 4.885
5 HA SER 2 HA SER 2 -29.863 18.769 3.755
6 HB2 SER 2 1HB SER 2 -31.633 21.142 3.296
7 HB3 SER 2 2HB SER 2 -29.898 21.295 3.018
8 HG SER 2 HG SER 2 -31.712 19.509 1.774
9 H SER 3 H SER 3 -28.889 18.456 5.807
10 HA SER 3 HA SER 3 -28.777 20.551 7.748
11 HB2 SER 3 1HB SER 3 -27.082 19.115 8.852
12 HB3 SER 3 2HB SER 3 -28.547 18.224 8.438
13 HG SER 3 HG SER 3 -27.441 17.449 6.581
14 H GLY 4 H GLY 4 -26.525 19.299 5.306
15 HA2 GLY 4 1HA GLY 4 -25.372 21.422 4.289
16 HA3 GLY 4 2HA GLY 4 -24.670 21.490 5.898
17 H SER 5 H SER 5 -22.906 20.298 6.334
18 HA SER 5 HA SER 5 -21.339 19.232 4.324
19 HB2 SER 5 1HB SER 5 -20.260 19.768 6.359
20 HB3 SER 5 2HB SER 5 -21.356 18.760 7.302
21 HG SER 5 HG SER 5 -20.268 17.006 6.731
22 H SER 6 H SER 6 -21.069 17.260 3.404
23 HA SER 6 HA SER 6 -22.952 15.146 4.224
24 HB2 SER 6 1HB SER 6 -23.419 16.182 1.988
25 HB3 SER 6 2HB SER 6 -21.848 15.596 1.443
26 HG SER 6 HG SER 6 -22.742 13.462 2.243
27 H GLY 7 H GLY 7 -22.245 12.959 4.019
28 HA2 GLY 7 1HA GLY 7 -19.442 12.650 4.668
29 HA3 GLY 7 2HA GLY 7 -20.667 11.391 4.698
30 H THR 8 H THR 8 -18.589 10.358 3.742
31 HA THR 8 HA THR 8 -17.361 9.631 1.932
32 HB THR 8 HB THR 8 -20.099 9.506 0.662
33 HG1 THR 8 HG1 THR 8 -20.587 8.171 2.219
34 HG21 THR 8 3HG2 THR 8 -19.145 8.261 -0.924
35 HG22 THR 8 1HG2 THR 8 -18.362 7.233 0.277
36 HG23 THR 8 2HG2 THR 8 -17.578 8.720 -0.257
37 H GLY 9 H GLY 9 -17.318 12.418 1.984
38 HA2 GLY 9 1HA GLY 9 -18.124 13.672 -0.397
39 HA3 GLY 9 2HA GLY 9 -16.828 14.223 0.655
40 H GLU 10 H GLU 10 -14.749 13.963 0.031
41 HA GLU 10 HA GLU 10 -13.878 12.032 -1.851
42 HB2 GLU 10 1HB GLU 10 -15.161 13.697 -3.297
43 HB3 GLU 10 2HB GLU 10 -13.885 14.848 -2.925
44 HG2 GLU 10 1HG GLU 10 -13.135 14.015 -4.909
45 HG3 GLU 10 2HG GLU 10 -12.322 12.933 -3.780
46 H LYS 11 H LYS 11 -12.050 11.600 -0.788
47 HA LYS 11 HA LYS 11 -10.359 13.831 0.100
48 HB2 LYS 11 1HB LYS 11 -10.771 11.037 1.027
49 HB3 LYS 11 2HB LYS 11 -9.152 11.703 1.194
50 HG2 LYS 11 1HG LYS 11 -9.998 12.328 3.198
51 HG3 LYS 11 2HG LYS 11 -10.504 13.727 2.249
52 HD2 LYS 11 1HD LYS 11 -12.318 11.368 2.408
53 HD3 LYS 11 2HD LYS 11 -12.204 12.446 3.801
54 HE2 LYS 11 1HE LYS 11 -12.537 14.312 1.991
55 HE3 LYS 11 2HE LYS 11 -13.226 12.990 1.050
56 HZ1 LYS 11 3HZ LYS 11 -15.049 13.829 2.149
57 HZ2 LYS 11 1HZ LYS 11 -14.192 14.169 3.568
58 HZ3 LYS 11 2HZ LYS 11 -14.590 12.571 3.183
59 HA PRO 12 HA PRO 12 -7.196 13.051 -2.838
60 HB2 PRO 12 1HB PRO 12 -4.930 13.330 -1.370
61 HB3 PRO 12 2HB PRO 12 -5.960 14.695 -1.816
62 HG2 PRO 12 1HG PRO 12 -5.835 13.180 0.763
63 HG3 PRO 12 2HG PRO 12 -5.956 14.929 0.498
64 HD2 PRO 12 1HD PRO 12 -8.096 13.402 1.145
65 HD3 PRO 12 2HD PRO 12 -8.226 14.840 0.112
66 H TYR 13 H TYR 13 -6.715 11.310 0.223
67 HA TYR 13 HA TYR 13 -5.939 8.942 -1.327
68 HB2 TYR 13 1HB TYR 13 -4.532 9.708 1.229
69 HB3 TYR 13 2HB TYR 13 -4.084 8.452 0.080
70 HD1 TYR 13 HD2 TYR 13 -3.591 9.343 -2.369
71 HD2 TYR 13 HD1 TYR 13 -3.387 11.712 1.160
72 HE1 TYR 13 HE2 TYR 13 -2.103 10.924 -3.524
73 HE2 TYR 13 HE1 TYR 13 -1.899 13.300 0.014
74 HH TYR 13 HH TYR 13 -0.602 13.616 -1.818
75 H LYS 14 H LYS 14 -7.574 7.592 -0.943
76 HA LYS 14 HA LYS 14 -8.209 6.955 1.843
77 HB2 LYS 14 1HB LYS 14 -9.980 8.447 1.271
78 HB3 LYS 14 2HB LYS 14 -10.208 7.683 -0.296
79 HG2 LYS 14 1HG LYS 14 -10.750 5.571 1.147
80 HG3 LYS 14 2HG LYS 14 -11.069 6.769 2.403
81 HD2 LYS 14 1HD LYS 14 -12.755 7.815 1.097
82 HD3 LYS 14 2HD LYS 14 -12.295 6.905 -0.344
83 HE2 LYS 14 1HE LYS 14 -13.244 4.939 0.441
84 HE3 LYS 14 2HE LYS 14 -13.198 5.471 2.121
85 HZ1 LYS 14 3HZ LYS 14 -15.439 5.444 0.927
86 HZ2 LYS 14 1HZ LYS 14 -14.903 6.843 0.141
87 HZ3 LYS 14 2HZ LYS 14 -15.045 6.822 1.826
88 H CYS 15 H CYS 15 -8.050 4.842 2.166
89 HA CYS 15 HA CYS 15 -7.623 3.017 0.031
90 HB2 CYS 15 1HB CYS 15 -6.607 2.738 2.265
91 HB3 CYS 15 2HB CYS 15 -8.204 2.447 2.945
92 H ASN 16 H ASN 16 -9.132 2.213 -1.257
93 HA ASN 16 HA ASN 16 -11.916 2.310 -0.590
94 HB2 ASN 16 1HB ASN 16 -10.334 1.342 -2.949
95 HB3 ASN 16 2HB ASN 16 -12.042 0.937 -2.810
96 HD21 ASN 16 1HD2 ASN 16 -10.971 2.469 -4.878
97 HD22 ASN 16 2HD2 ASN 16 -11.608 4.071 -4.762
98 H GLU 17 H GLU 17 -9.420 -0.149 -0.631
99 HA GLU 17 HA GLU 17 -10.870 -2.478 -0.572
100 HB2 GLU 17 1HB GLU 17 -8.279 -1.626 0.613
101 HB3 GLU 17 2HB GLU 17 -8.967 -3.138 1.187
102 HG2 GLU 17 1HG GLU 17 -7.379 -3.461 -0.649
103 HG3 GLU 17 2HG GLU 17 -8.999 -4.027 -1.050
104 H CYS 18 H CYS 18 -9.862 -0.621 2.305
105 HA CYS 18 HA CYS 18 -11.967 -1.978 3.838
106 HB2 CYS 18 1HB CYS 18 -10.769 -1.253 5.833
107 HB3 CYS 18 2HB CYS 18 -9.674 -2.100 4.744
108 H GLY 19 H GLY 19 -10.621 1.258 3.232
109 HA2 GLY 19 1HA GLY 19 -12.297 3.001 2.696
110 HA3 GLY 19 2HA GLY 19 -13.239 2.370 4.038
111 H LYS 20 H LYS 20 -9.756 2.992 3.893
112 HA LYS 20 HA LYS 20 -10.036 4.700 6.254
113 HB2 LYS 20 1HB LYS 20 -7.843 3.054 5.095
114 HB3 LYS 20 2HB LYS 20 -7.387 4.486 6.009
115 HG2 LYS 20 1HG LYS 20 -8.800 3.617 7.890
116 HG3 LYS 20 2HG LYS 20 -8.968 2.117 6.974
117 HD2 LYS 20 1HD LYS 20 -6.556 1.810 6.995
118 HD3 LYS 20 2HD LYS 20 -6.350 3.345 7.842
119 HE2 LYS 20 1HE LYS 20 -6.267 1.906 9.614
120 HE3 LYS 20 2HE LYS 20 -8.001 2.219 9.563
121 HZ1 LYS 20 3HZ LYS 20 -6.762 -0.233 9.432
122 HZ2 LYS 20 1HZ LYS 20 -7.303 0.059 7.856
123 HZ3 LYS 20 2HZ LYS 20 -8.397 0.092 9.146
124 H VAL 21 H VAL 21 -8.238 6.488 6.309
125 HA VAL 21 HA VAL 21 -8.021 7.817 3.705
126 HB VAL 21 HB VAL 21 -9.052 9.180 6.197
127 HG11 VAL 21 1HG1 VAL 21 -8.458 10.233 3.437
128 HG12 VAL 21 2HG1 VAL 21 -9.369 11.118 4.662
129 HG13 VAL 21 3HG1 VAL 21 -7.680 10.697 4.949
130 HG21 VAL 21 3HG2 VAL 21 -10.987 8.257 5.503
131 HG22 VAL 21 1HG2 VAL 21 -10.952 9.556 4.311
132 HG23 VAL 21 2HG2 VAL 21 -10.378 7.945 3.878
133 H PHE 22 H PHE 22 -6.237 9.132 3.461
134 HA PHE 22 HA PHE 22 -4.471 9.511 5.761
135 HB2 PHE 22 1HB PHE 22 -3.406 8.444 3.149
136 HB3 PHE 22 2HB PHE 22 -2.557 8.593 4.683
137 HD1 PHE 22 HD1 PHE 22 -5.141 6.709 2.859
138 HD2 PHE 22 HD2 PHE 22 -2.705 6.909 6.344
139 HE1 PHE 22 HE1 PHE 22 -5.756 4.393 3.418
140 HE2 PHE 22 HE2 PHE 22 -3.315 4.593 6.907
141 HZ PHE 22 HZ PHE 22 -4.842 3.331 5.443
142 H THR 23 H THR 23 -3.082 11.274 5.600
143 HA THR 23 HA THR 23 -3.947 13.322 3.763
144 HB THR 23 HB THR 23 -1.767 13.419 5.858
145 HG1 THR 23 HG1 THR 23 -3.408 14.481 7.088
146 HG21 THR 23 3HG2 THR 23 -3.182 15.633 4.368
147 HG22 THR 23 1HG2 THR 23 -1.500 15.149 4.156
148 HG23 THR 23 2HG2 THR 23 -2.028 15.856 5.683
149 H GLN 24 H GLN 24 -1.037 11.395 4.303
150 HA GLN 24 HA GLN 24 0.237 12.642 1.980
151 HB2 GLN 24 1HB GLN 24 1.474 12.342 4.168
152 HB3 GLN 24 2HB GLN 24 1.439 10.611 3.861
153 HG2 GLN 24 1HG GLN 24 2.815 10.815 1.963
154 HG3 GLN 24 2HG GLN 24 2.609 12.565 1.908
155 HE21 GLN 24 1HE2 GLN 24 3.614 10.141 4.304
156 HE22 GLN 24 2HE2 GLN 24 5.025 10.992 4.822
157 H ASN 25 H ASN 25 0.509 11.617 0.087
158 HA ASN 25 HA ASN 25 -1.005 9.427 -0.648
159 HB2 ASN 25 1HB ASN 25 0.216 11.132 -2.133
160 HB3 ASN 25 2HB ASN 25 1.619 10.080 -1.977
161 HD21 ASN 25 1HD2 ASN 25 -0.084 10.819 -4.292
162 HD22 ASN 25 2HD2 ASN 25 -0.592 9.315 -4.973
163 H SER 26 H SER 26 2.384 9.521 0.380
164 HA SER 26 HA SER 26 3.011 6.835 -0.057
165 HB2 SER 26 1HB SER 26 4.917 7.188 1.306
166 HB3 SER 26 2HB SER 26 4.586 8.755 0.567
167 HG SER 26 HG SER 26 4.635 8.083 3.174
168 H HIS 27 H HIS 27 1.479 8.426 2.690
169 HA HIS 27 HA HIS 27 1.522 6.278 4.488
170 HB2 HIS 27 1HB HIS 27 -0.212 8.703 4.179
171 HB3 HIS 27 2HB HIS 27 -0.637 7.472 5.365
172 HD2 HIS 27 HD2 HIS 27 3.145 8.133 5.023
173 HE1 HIS 27 HE1 HIS 27 1.794 10.153 8.501
174 HE2 HIS 27 HE2 HIS 27 3.797 9.498 7.122
175 H LEU 28 H LEU 28 -0.839 7.186 2.011
176 HA LEU 28 HA LEU 28 -2.742 5.196 2.629
177 HB2 LEU 28 1HB LEU 28 -3.465 7.008 1.314
178 HB3 LEU 28 2HB LEU 28 -2.155 6.792 0.155
179 HG LEU 28 HG LEU 28 -3.210 4.809 -0.732
180 HD11 LEU 28 1HD1 LEU 28 -4.678 3.591 0.399
181 HD12 LEU 28 2HD1 LEU 28 -5.757 4.973 0.591
182 HD13 LEU 28 3HD1 LEU 28 -4.468 4.693 1.761
183 HD21 LEU 28 3HD2 LEU 28 -5.105 5.810 -1.777
184 HD22 LEU 28 1HD2 LEU 28 -3.907 7.080 -1.523
185 HD23 LEU 28 2HD2 LEU 28 -5.303 6.958 -0.453
186 H ALA 29 H ALA 29 -0.439 5.312 -0.097
187 HA ALA 29 HA ALA 29 -0.801 2.797 -1.112
188 HB1 ALA 29 3HB ALA 29 1.322 4.780 -1.178
189 HB2 ALA 29 1HB ALA 29 1.927 3.131 -1.332
190 HB3 ALA 29 2HB ALA 29 0.710 3.733 -2.458
191 H ASN 30 H ASN 30 1.450 3.707 1.492
192 HA ASN 30 HA ASN 30 2.601 1.246 1.976
193 HB2 ASN 30 1HB ASN 30 3.579 2.942 3.202
194 HB3 ASN 30 2HB ASN 30 2.031 3.631 3.683
195 HD21 ASN 30 1HD2 ASN 30 4.656 2.037 4.781
196 HD22 ASN 30 2HD2 ASN 30 3.982 1.276 6.178
197 H HIS 31 H HIS 31 -0.440 2.541 3.252
198 HA HIS 31 HA HIS 31 -1.081 0.489 5.016
199 HB2 HIS 31 1HB HIS 31 -2.367 2.521 5.013
200 HB3 HIS 31 2HB HIS 31 -2.874 2.258 3.347
201 HD1 HIS 31 HD1 HIS 31 -3.271 0.572 6.734
202 HD2 HIS 31 HD2 HIS 31 -5.285 1.043 3.131
203 HE1 HIS 31 HE1 HIS 31 -5.508 -0.527 7.066
204 H GLN 32 H GLN 32 -2.155 0.852 1.633
205 HA GLN 32 HA GLN 32 -3.628 -1.356 1.227
206 HB2 GLN 32 1HB GLN 32 -1.488 -0.199 -0.551
207 HB3 GLN 32 2HB GLN 32 -2.544 -1.502 -1.078
208 HG2 GLN 32 1HG GLN 32 -3.388 0.604 -1.870
209 HG3 GLN 32 2HG GLN 32 -4.492 -0.066 -0.670
210 HE21 GLN 32 1HE2 GLN 32 -4.333 0.786 1.518
211 HE22 GLN 32 2HE2 GLN 32 -3.887 2.440 1.742
212 H ARG 33 H ARG 33 -0.195 -1.298 1.826
213 HA ARG 33 HA ARG 33 0.695 -3.715 0.943
214 HB2 ARG 33 1HB ARG 33 1.285 -2.370 3.583
215 HB3 ARG 33 2HB ARG 33 2.191 -3.743 2.960
216 HG2 ARG 33 1HG ARG 33 1.908 -1.130 1.497
217 HG3 ARG 33 2HG ARG 33 3.250 -1.517 2.576
218 HD2 ARG 33 1HD ARG 33 2.473 -3.025 0.082
219 HD3 ARG 33 2HD ARG 33 3.848 -1.935 0.251
220 HE ARG 33 HE ARG 33 4.235 -3.794 2.199
221 HH11 ARG 33 1HH1 ARG 33 3.716 -3.936 -1.240
222 HH12 ARG 33 2HH1 ARG 33 4.640 -5.387 -1.451
223 HH21 ARG 33 1HH2 ARG 33 5.454 -5.704 1.934
224 HH22 ARG 33 2HH2 ARG 33 5.627 -6.392 0.355
225 H ILE 34 H ILE 34 -0.919 -3.153 4.070
226 HA ILE 34 HA ILE 34 -0.951 -5.778 4.975
227 HB ILE 34 HB ILE 34 -2.749 -5.155 6.448
228 HG12 ILE 34 1HG1 ILE 34 -3.094 -2.481 5.174
229 HG13 ILE 34 2HG1 ILE 34 -3.885 -3.861 4.419
230 HG21 ILE 34 1HG2 ILE 34 -1.837 -2.891 7.259
231 HG22 ILE 34 2HG2 ILE 34 -0.739 -4.270 7.222
232 HG23 ILE 34 3HG2 ILE 34 -0.672 -3.055 5.945
233 HD11 ILE 34 3HD1 ILE 34 -5.511 -3.794 5.911
234 HD12 ILE 34 1HD1 ILE 34 -4.358 -3.898 7.240
235 HD13 ILE 34 2HD1 ILE 34 -4.793 -2.325 6.571
236 H HIS 35 H HIS 35 -2.855 -4.252 2.519
237 HA HIS 35 HA HIS 35 -4.840 -6.370 2.468
238 HB2 HIS 35 1HB HIS 35 -4.424 -3.936 0.724
239 HB3 HIS 35 2HB HIS 35 -5.730 -5.095 0.495
240 HD1 HIS 35 HD1 HIS 35 -6.967 -5.471 3.116
241 HD2 HIS 35 HD2 HIS 35 -5.430 -1.781 1.983
242 HE1 HIS 35 HE1 HIS 35 -8.133 -3.782 4.570
243 H THR 36 H THR 36 -2.560 -5.009 0.082
244 HA THR 36 HA THR 36 -2.778 -7.255 -1.658
245 HB THR 36 HB THR 36 -0.812 -6.244 -2.831
246 HG1 THR 36 HG1 THR 36 -0.732 -4.812 -0.478
247 HG21 THR 36 3HG2 THR 36 -2.561 -5.301 -3.872
248 HG22 THR 36 1HG2 THR 36 -2.177 -3.862 -2.928
249 HG23 THR 36 2HG2 THR 36 -3.408 -4.989 -2.356
250 H GLY 37 H GLY 37 -2.333 -9.014 -0.204
251 HA2 GLY 37 1HA GLY 37 0.553 -9.509 0.028
252 HA3 GLY 37 2HA GLY 37 -0.451 -9.694 1.459
253 H VAL 38 H VAL 38 -2.724 -10.814 0.147
254 HA VAL 38 HA VAL 38 -2.285 -13.500 0.359
255 HB VAL 38 HB VAL 38 -4.275 -13.835 -1.113
256 HG11 VAL 38 1HG1 VAL 38 -4.095 -12.480 1.380
257 HG12 VAL 38 2HG1 VAL 38 -5.438 -11.791 0.466
258 HG13 VAL 38 3HG1 VAL 38 -5.383 -13.525 0.784
259 HG21 VAL 38 3HG2 VAL 38 -5.460 -11.878 -1.961
260 HG22 VAL 38 1HG2 VAL 38 -4.162 -10.833 -1.383
261 HG23 VAL 38 2HG2 VAL 38 -3.850 -11.995 -2.672
262 H LYS 39 H LYS 39 -2.509 -15.158 -1.452
263 HA LYS 39 HA LYS 39 -1.167 -16.245 -2.995
264 HB2 LYS 39 1HB LYS 39 -1.716 -15.524 -5.257
265 HB3 LYS 39 2HB LYS 39 -3.143 -15.457 -4.231
266 HG2 LYS 39 1HG LYS 39 -2.565 -12.978 -3.923
267 HG3 LYS 39 2HG LYS 39 -1.503 -13.198 -5.316
268 HD2 LYS 39 1HD LYS 39 -4.366 -14.074 -5.430
269 HD3 LYS 39 2HD LYS 39 -3.935 -12.383 -5.693
270 HE2 LYS 39 1HE LYS 39 -2.592 -14.608 -7.196
271 HE3 LYS 39 2HE LYS 39 -4.116 -13.912 -7.743
272 HZ1 LYS 39 3HZ LYS 39 -2.500 -11.760 -7.225
273 HZ2 LYS 39 1HZ LYS 39 -2.894 -12.377 -8.750
274 HZ3 LYS 39 2HZ LYS 39 -1.474 -12.875 -7.978
275 HA PRO 40 HA PRO 40 2.271 -13.010 -2.813
276 HB2 PRO 40 1HB PRO 40 3.838 -14.311 -1.018
277 HB3 PRO 40 2HB PRO 40 2.590 -13.154 -0.542
278 HG2 PRO 40 1HG PRO 40 2.482 -16.145 -0.584
279 HG3 PRO 40 2HG PRO 40 1.887 -15.021 0.652
280 HD2 PRO 40 1HD PRO 40 0.255 -16.179 -1.172
281 HD3 PRO 40 2HD PRO 40 -0.040 -14.553 -0.522
282 H SER 41 H SER 41 1.686 -16.079 -3.852
283 HA SER 41 HA SER 41 2.772 -17.588 -5.167
284 HB2 SER 41 1HB SER 41 4.134 -16.692 -6.911
285 HB3 SER 41 2HB SER 41 2.927 -15.459 -6.542
286 HG SER 41 HG SER 41 4.458 -14.293 -5.455
287 H GLY 42 H GLY 42 3.601 -17.683 -2.547
288 HA2 GLY 42 1HA GLY 42 5.247 -18.947 -1.474
289 HA3 GLY 42 2HA GLY 42 6.281 -18.753 -2.882
290 HA PRO 43 HA PRO 43 7.152 -15.628 0.686
291 HB2 PRO 43 1HB PRO 43 8.867 -17.045 2.242
292 HB3 PRO 43 2HB PRO 43 7.123 -17.004 2.526
293 HG2 PRO 43 1HG PRO 43 8.769 -19.093 1.153
294 HG3 PRO 43 2HG PRO 43 7.445 -19.297 2.315
295 HD2 PRO 43 1HD PRO 43 7.100 -19.592 -0.355
296 HD3 PRO 43 2HD PRO 43 5.821 -18.975 0.711
297 H SER 44 H SER 44 8.624 -17.345 -1.709
298 HA SER 44 HA SER 44 11.273 -16.160 -1.291
299 HB2 SER 44 1HB SER 44 11.936 -17.614 -3.232
300 HB3 SER 44 2HB SER 44 11.351 -18.506 -1.828
301 HG SER 44 HG SER 44 10.484 -19.141 -3.947
302 H SER 45 H SER 45 9.343 -14.305 -1.845
303 HA SER 45 HA SER 45 9.833 -13.614 -4.667
304 HB2 SER 45 1HB SER 45 7.437 -13.979 -4.062
305 HB3 SER 45 2HB SER 45 7.564 -12.647 -2.913
306 HG SER 45 HG SER 45 7.932 -11.245 -4.604
307 H GLY 46 H GLY 46 11.465 -12.211 -4.777
308 HA2 GLY 46 1HA GLY 46 11.502 -9.622 -4.202
309 HA3 GLY 46 2HA GLY 46 11.890 -10.289 -2.623