Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
|
|
1329 | 1ahl RC | 5 | cing | recoord | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Orig H atom name
Start of MODEL 1
Raw file had 333 H/Q atoms
Start of MODEL 1
1 1H GLY 1 1H GLY 1 -4.033 7.694 7.460
2 2H GLY 1 3H GLY 1 -5.550 7.097 6.984
3 3H GLY 1 2H GLY 1 -5.024 6.903 8.593
4 1HA GLY 1 2HA GLY 1 -4.039 4.975 8.083
5 2HA GLY 1 1HA GLY 1 -4.577 5.175 6.399
6 H VAL 2 H VAL 2 -2.098 4.101 6.521
7 HA VAL 2 HA VAL 2 -0.233 6.377 6.172
8 HB VAL 2 HB VAL 2 1.448 4.314 6.544
9 1HG1 VAL 2 3HG1 VAL 2 -0.140 5.648 8.813
10 2HG1 VAL 2 2HG1 VAL 2 1.442 4.901 8.982
11 3HG1 VAL 2 1HG1 VAL 2 1.256 6.348 8.012
12 1HG2 VAL 2 3HG2 VAL 2 -0.345 2.566 6.730
13 2HG2 VAL 2 2HG2 VAL 2 0.601 2.690 8.196
14 3HG2 VAL 2 1HG2 VAL 2 -1.001 3.387 8.145
15 H SER 3 H SER 3 0.104 6.812 4.182
16 HA SER 3 HA SER 3 -0.226 4.857 2.028
17 1HB SER 3 2HB SER 3 0.401 7.816 1.827
18 2HB SER 3 1HB SER 3 -0.227 6.753 0.564
19 HG SER 3 HG SER 3 -2.079 6.953 1.318
20 H CYS 4 H CYS 4 1.360 4.998 0.229
21 HA CYS 4 HA CYS 4 4.091 5.758 0.782
22 1HB CYS 4 2HB CYS 4 5.002 3.441 0.597
23 2HB CYS 4 1HB CYS 4 4.120 3.709 2.065
24 H LEU 5 H LEU 5 5.424 5.384 -1.120
25 HA LEU 5 HA LEU 5 4.058 5.943 -3.492
26 1HB LEU 5 2HB LEU 5 6.916 5.148 -2.867
27 2HB LEU 5 1HB LEU 5 6.365 5.417 -4.494
28 HG LEU 5 HG LEU 5 5.562 7.710 -3.801
29 1HD1 LEU 5 2HD1 LEU 5 7.237 7.140 -1.308
30 2HD1 LEU 5 1HD1 LEU 5 6.558 8.696 -1.774
31 3HD1 LEU 5 3HD1 LEU 5 5.492 7.378 -1.352
32 1HD2 LEU 5 2HD2 LEU 5 8.540 7.101 -3.567
33 2HD2 LEU 5 1HD2 LEU 5 7.642 7.386 -5.051
34 3HD2 LEU 5 3HD2 LEU 5 7.855 8.687 -3.898
35 H CYS 6 H CYS 6 3.196 4.722 -4.973
36 HA CYS 6 HA CYS 6 3.456 1.791 -4.791
37 1HB CYS 6 2HB CYS 6 1.604 3.626 -6.272
38 2HB CYS 6 1HB CYS 6 1.627 1.907 -6.594
39 H ASP 7 H ASP 7 3.602 0.737 -7.105
40 HA ASP 7 HA ASP 7 6.082 1.433 -8.315
41 1HB ASP 7 2HB ASP 7 3.754 -0.298 -9.317
42 2HB ASP 7 1HB ASP 7 5.300 -0.198 -10.127
43 H SER 8 H SER 8 3.077 2.731 -8.592
44 HA SER 8 HA SER 8 3.500 3.983 -11.254
45 1HB SER 8 2HB SER 8 1.209 2.962 -10.725
46 2HB SER 8 1HB SER 8 1.014 4.174 -9.452
47 HG SER 8 HG SER 8 1.629 5.697 -11.247
48 H ASP 9 H ASP 9 4.405 4.730 -8.137
49 HA ASP 9 HA ASP 9 3.931 7.644 -8.537
50 1HB ASP 9 2HB ASP 9 4.759 6.124 -5.993
51 2HB ASP 9 1HB ASP 9 4.648 7.851 -6.140
52 H GLY 10 H GLY 10 5.738 9.027 -8.041
53 1HA GLY 10 2HA GLY 10 8.189 9.118 -7.563
54 2HA GLY 10 1HA GLY 10 8.371 7.815 -8.751
55 HA PRO 11 HA PRO 11 8.459 10.874 -11.903
56 1HB PRO 11 2HB PRO 11 7.181 9.784 -14.040
57 2HB PRO 11 1HB PRO 11 8.672 9.080 -13.403
58 1HG PRO 11 2HG PRO 11 5.796 8.224 -12.782
59 2HG PRO 11 1HG PRO 11 7.152 7.201 -13.271
60 1HD PRO 11 2HD PRO 11 6.447 7.532 -10.657
61 2HD PRO 11 1HD PRO 11 8.148 7.284 -11.099
62 H SER 12 H SER 12 7.144 12.377 -13.324
63 HA SER 12 HA SER 12 4.755 13.171 -11.796
64 1HB SER 12 2HB SER 12 4.888 15.110 -13.466
65 2HB SER 12 1HB SER 12 6.207 14.907 -12.277
66 HG SER 12 HG SER 12 6.017 13.950 -14.948
67 H VAL 13 H VAL 13 3.492 11.725 -12.278
68 HA VAL 13 HA VAL 13 2.133 11.682 -14.937
69 HB VAL 13 HB VAL 13 3.432 9.617 -14.833
70 1HG1 VAL 13 1HG1 VAL 13 2.223 9.143 -12.053
71 2HG1 VAL 13 3HG1 VAL 13 3.263 8.020 -12.909
72 3HG1 VAL 13 2HG1 VAL 13 3.890 9.564 -12.385
73 1HG2 VAL 13 2HG2 VAL 13 1.115 9.240 -15.665
74 2HG2 VAL 13 1HG2 VAL 13 1.719 7.833 -14.811
75 3HG2 VAL 13 3HG2 VAL 13 0.575 8.893 -14.022
76 H ARG 14 H ARG 14 -0.122 11.081 -14.828
77 HA ARG 14 HA ARG 14 -1.545 12.452 -12.798
78 1HB ARG 14 2HB ARG 14 -3.576 11.079 -13.697
79 2HB ARG 14 1HB ARG 14 -2.741 12.117 -14.840
80 1HG ARG 14 2HG ARG 14 -1.461 10.232 -15.707
81 2HG ARG 14 1HG ARG 14 -2.072 9.190 -14.443
82 1HD ARG 14 2HD ARG 14 -4.025 10.537 -16.348
83 2HD ARG 14 1HD ARG 14 -3.149 9.117 -16.895
84 HE ARG 14 HE ARG 14 -5.050 9.171 -14.568
85 1HH1 ARG 14 2HH1 ARG 14 -2.781 7.265 -14.483
86 2HH1 ARG 14 1HH1 ARG 14 -3.416 5.815 -15.157
87 1HH2 ARG 14 1HH2 ARG 14 -6.160 7.635 -16.539
88 2HH2 ARG 14 2HH2 ARG 14 -5.519 6.045 -16.418
89 H GLY 15 H GLY 15 -2.316 11.890 -10.921
90 1HA GLY 15 2HA GLY 15 -3.202 10.431 -9.198
91 2HA GLY 15 1HA GLY 15 -2.400 9.066 -9.986
92 H ASN 16 H ASN 16 -0.312 11.516 -10.001
93 HA ASN 16 HA ASN 16 1.600 10.387 -8.338
94 1HB ASN 16 2HB ASN 16 2.855 12.458 -8.556
95 2HB ASN 16 1HB ASN 16 1.908 12.351 -10.014
96 1HD2 ASN 16 2HD2 ASN 16 0.788 15.193 -7.406
97 2HD2 ASN 16 1HD2 ASN 16 1.628 13.901 -6.713
98 H THR 17 H THR 17 2.573 11.145 -6.573
99 HA THR 17 HA THR 17 2.870 12.155 -4.431
100 HB THR 17 HB THR 17 -0.255 12.086 -4.147
101 HG1 THR 17 HG1 THR 17 -0.052 13.606 -5.518
102 1HG2 THR 17 3HG2 THR 17 1.901 13.852 -2.829
103 2HG2 THR 17 2HG2 THR 17 0.191 13.852 -2.448
104 3HG2 THR 17 1HG2 THR 17 1.184 12.492 -1.979
105 H LEU 18 H LEU 18 2.247 10.751 -2.213
106 HA LEU 18 HA LEU 18 2.475 7.936 -3.157
107 1HB LEU 18 2HB LEU 18 3.247 7.472 -0.986
108 2HB LEU 18 1HB LEU 18 4.004 8.968 -1.466
109 HG LEU 18 HG LEU 18 1.716 8.567 0.427
110 1HD1 LEU 18 3HD1 LEU 18 4.559 9.573 0.824
111 2HD1 LEU 18 2HD1 LEU 18 3.351 9.500 2.100
112 3HD1 LEU 18 1HD1 LEU 18 3.916 8.023 1.345
113 1HD2 LEU 18 1HD2 LEU 18 2.923 11.251 -0.369
114 2HD2 LEU 18 3HD2 LEU 18 1.264 10.702 -0.674
115 3HD2 LEU 18 2HD2 LEU 18 1.803 11.000 0.953
116 H SER 19 H SER 19 0.563 7.695 -3.948
117 HA SER 19 HA SER 19 -1.886 7.979 -2.321
118 1HB SER 19 2HB SER 19 -1.798 8.647 -4.761
119 2HB SER 19 1HB SER 19 -1.693 6.940 -5.187
120 HG SER 19 HG SER 19 -3.599 6.736 -3.694
121 H GLY 20 H GLY 20 0.229 5.269 -2.517
122 1HA GLY 20 2HA GLY 20 -1.929 3.370 -2.515
123 2HA GLY 20 1HA GLY 20 -0.233 2.983 -2.274
124 H THR 21 H THR 21 -0.943 1.611 -0.395
125 HA THR 21 HA THR 21 -0.931 3.127 2.040
126 HB THR 21 HB THR 21 -2.810 0.814 1.839
127 HG1 THR 21 HG1 THR 21 -3.123 3.384 0.826
128 1HG2 THR 21 2HG2 THR 21 -2.770 3.243 3.670
129 2HG2 THR 21 1HG2 THR 21 -3.903 1.902 3.774
130 3HG2 THR 21 3HG2 THR 21 -2.201 1.640 4.112
131 H LEU 22 H LEU 22 0.178 2.191 3.361
132 HA LEU 22 HA LEU 22 1.519 -0.339 2.660
133 1HB LEU 22 2HB LEU 22 3.000 1.323 3.089
134 2HB LEU 22 1HB LEU 22 2.154 1.995 4.465
135 HG LEU 22 HG LEU 22 3.099 -0.836 4.862
136 1HD1 LEU 22 2HD1 LEU 22 4.881 0.001 3.342
137 2HD1 LEU 22 1HD1 LEU 22 5.170 1.354 4.421
138 3HD1 LEU 22 3HD1 LEU 22 5.480 -0.293 4.969
139 1HD2 LEU 22 2HD2 LEU 22 3.628 1.769 6.322
140 2HD2 LEU 22 1HD2 LEU 22 2.299 0.664 6.650
141 3HD2 LEU 22 3HD2 LEU 22 3.965 0.157 6.919
142 H TRP 23 H TRP 23 1.545 -2.018 3.828
143 HA TRP 23 HA TRP 23 -0.343 -2.259 6.123
144 1HB TRP 23 2HB TRP 23 0.125 -4.038 3.677
145 2HB TRP 23 1HB TRP 23 -0.586 -4.738 5.133
146 HD1 TRP 23 HD1 TRP 23 -1.555 -2.424 2.148
147 HE1 TRP 23 HE1 TRP 23 -3.915 -1.726 2.563
148 HE3 TRP 23 HE3 TRP 23 -2.167 -4.204 6.813
149 HZ2 TRP 23 HZ2 TRP 23 -5.920 -1.811 4.607
150 HZ3 TRP 23 HZ3 TRP 23 -4.318 -3.828 8.004
151 HH2 TRP 23 HH2 TRP 23 -6.185 -2.666 6.906
152 H LEU 24 H LEU 24 0.505 -3.106 7.863
153 HA LEU 24 HA LEU 24 3.382 -3.650 7.948
154 1HB LEU 24 2HB LEU 24 1.608 -3.877 10.379
155 2HB LEU 24 1HB LEU 24 3.241 -3.274 10.252
156 HG LEU 24 HG LEU 24 0.792 -1.854 9.168
157 1HD1 LEU 24 1HD1 LEU 24 0.851 -1.821 11.650
158 2HD1 LEU 24 3HD1 LEU 24 2.496 -1.208 11.618
159 3HD1 LEU 24 2HD1 LEU 24 1.175 -0.216 11.026
160 1HD2 LEU 24 1HD2 LEU 24 2.808 -1.306 7.880
161 2HD2 LEU 24 3HD2 LEU 24 2.294 0.078 8.830
162 3HD2 LEU 24 2HD2 LEU 24 3.660 -0.889 9.353
163 H TYR 25 H TYR 25 0.575 -5.142 7.622
164 HA TYR 25 HA TYR 25 0.671 -7.603 8.964
165 1HB TYR 25 2HB TYR 25 -0.518 -6.802 6.272
166 2HB TYR 25 1HB TYR 25 -0.903 -8.304 6.995
167 HD1 TYR 25 HD1 TYR 25 -0.542 -5.788 9.610
168 HD2 TYR 25 HD2 TYR 25 -3.228 -7.431 6.718
169 HE1 TYR 25 HE1 TYR 25 -2.439 -4.882 10.836
170 HE2 TYR 25 HE2 TYR 25 -5.109 -6.519 7.962
171 HH TYR 25 HH TYR 25 -5.747 -5.465 9.903
172 HA PRO 26 HA PRO 26 4.092 -9.489 7.465
173 1HB PRO 26 2HB PRO 26 3.601 -12.183 7.698
174 2HB PRO 26 1HB PRO 26 3.702 -11.128 9.114
175 1HG PRO 26 2HG PRO 26 1.179 -11.977 7.575
176 2HG PRO 26 1HG PRO 26 1.467 -12.090 9.310
177 1HD PRO 26 2HD PRO 26 0.111 -9.958 8.311
178 2HD PRO 26 1HD PRO 26 1.293 -9.707 9.617
179 H SER 27 H SER 27 1.437 -9.728 5.647
180 HA SER 27 HA SER 27 2.993 -10.658 3.263
181 1HB SER 27 2HB SER 27 0.891 -11.788 2.502
182 2HB SER 27 1HB SER 27 1.580 -12.510 3.961
183 HG SER 27 HG SER 27 -0.818 -11.250 3.705
184 H GLY 28 H GLY 28 1.988 -8.087 4.506
185 1HA GLY 28 2HA GLY 28 1.360 -6.012 3.671
186 2HA GLY 28 1HA GLY 28 1.608 -6.704 2.092
187 H CYS 29 H CYS 29 0.111 -6.728 0.906
188 HA CYS 29 HA CYS 29 -2.259 -5.551 1.189
189 1HB CYS 29 2HB CYS 29 -1.059 -6.518 -0.913
190 2HB CYS 29 1HB CYS 29 -2.211 -7.831 -0.717
191 HA PRO 30 HA PRO 30 -4.725 -8.650 3.344
192 1HB PRO 30 2HB PRO 30 -6.659 -6.942 4.268
193 2HB PRO 30 1HB PRO 30 -5.062 -7.074 5.006
194 1HG PRO 30 2HG PRO 30 -6.076 -4.847 3.220
195 2HG PRO 30 1HG PRO 30 -4.898 -4.836 4.510
196 1HD PRO 30 2HD PRO 30 -4.401 -5.029 1.707
197 2HD PRO 30 1HD PRO 30 -3.202 -5.151 3.026
198 H SER 31 H SER 31 -6.624 -9.544 2.901
199 HA SER 31 HA SER 31 -7.459 -9.572 0.232
200 1HB SER 31 2HB SER 31 -7.640 -11.651 1.848
201 2HB SER 31 1HB SER 31 -9.001 -10.828 2.628
202 HG SER 31 HG SER 31 -10.175 -11.584 1.037
203 H GLY 32 H GLY 32 -8.420 -8.131 -0.588
204 1HA GLY 32 2HA GLY 32 -10.781 -7.116 -0.824
205 2HA GLY 32 1HA GLY 32 -10.434 -6.457 0.789
206 H TRP 33 H TRP 33 -7.454 -6.694 -0.616
207 HA TRP 33 HA TRP 33 -7.623 -3.968 -1.694
208 1HB TRP 33 2HB TRP 33 -5.476 -5.523 -0.088
209 2HB TRP 33 1HB TRP 33 -5.010 -4.108 -0.983
210 HD1 TRP 33 HD1 TRP 33 -7.997 -4.865 1.500
211 HE1 TRP 33 HE1 TRP 33 -8.177 -2.724 2.821
212 HE3 TRP 33 HE3 TRP 33 -4.213 -2.219 -0.519
213 HZ2 TRP 33 HZ2 TRP 33 -6.897 -0.116 3.053
214 HZ3 TRP 33 HZ3 TRP 33 -3.713 0.042 0.194
215 HH2 TRP 33 HH2 TRP 33 -5.030 1.108 1.950
216 H HIS 34 H HIS 34 -4.976 -4.368 -2.839
217 HA HIS 34 HA HIS 34 -5.524 -6.371 -4.841
218 1HB HIS 34 2HB HIS 34 -6.493 -4.228 -5.639
219 2HB HIS 34 1HB HIS 34 -4.945 -3.443 -5.497
220 HD1 HIS 34 HD1 HIS 34 -5.612 -3.105 -8.178
221 HD2 HIS 34 HD2 HIS 34 -4.356 -6.832 -7.114
222 HE1 HIS 34 HE1 HIS 34 -4.922 -4.240 -10.278
223 H ASN 35 H ASN 35 -3.248 -3.962 -4.471
224 HA ASN 35 HA ASN 35 -0.853 -4.632 -3.613
225 1HB ASN 35 2HB ASN 35 0.458 -5.881 -5.113
226 2HB ASN 35 1HB ASN 35 -0.982 -6.834 -4.825
227 1HD2 ASN 35 2HD2 ASN 35 -2.052 -6.599 -8.216
228 2HD2 ASN 35 1HD2 ASN 35 -2.446 -7.118 -6.647
229 H CYS 36 H CYS 36 0.797 -3.175 -4.305
230 HA CYS 36 HA CYS 36 0.463 -1.821 -6.915
231 1HB CYS 36 2HB CYS 36 0.020 0.320 -6.121
232 2HB CYS 36 1HB CYS 36 -0.925 -0.622 -5.002
233 H LYS 37 H LYS 37 2.408 -3.143 -4.649
234 HA LYS 37 HA LYS 37 4.757 -1.909 -5.820
235 1HB LYS 37 2HB LYS 37 3.965 -2.140 -2.942
236 2HB LYS 37 1HB LYS 37 5.637 -1.952 -3.213
237 1HG LYS 37 2HG LYS 37 3.485 -0.030 -4.149
238 2HG LYS 37 1HG LYS 37 4.572 0.307 -2.831
239 1HD LYS 37 2HD LYS 37 5.519 -0.127 -5.701
240 2HD LYS 37 1HD LYS 37 5.414 1.415 -4.945
241 1HE LYS 37 2HE LYS 37 7.188 -0.775 -3.921
242 2HE LYS 37 1HE LYS 37 7.670 0.649 -4.827
243 1HZ LYS 37 1HZ LYS 37 6.019 1.560 -2.785
244 2HZ LYS 37 3HZ LYS 37 7.086 0.450 -2.062
245 3HZ LYS 37 2HZ LYS 37 7.679 1.792 -2.928
246 H ALA 38 H ALA 38 5.547 -3.541 -6.834
247 HA ALA 38 HA ALA 38 5.252 -6.277 -5.895
248 1HB ALA 38 2HB ALA 38 5.605 -5.752 -8.346
249 2HB ALA 38 1HB ALA 38 7.212 -5.149 -7.962
250 3HB ALA 38 3HB ALA 38 6.849 -6.857 -7.769
251 H HIS 39 H HIS 39 7.289 -3.892 -5.038
252 HA HIS 39 HA HIS 39 8.940 -5.770 -3.433
253 1HB HIS 39 2HB HIS 39 10.064 -3.681 -5.372
254 2HB HIS 39 1HB HIS 39 11.034 -4.406 -4.093
255 HD1 HIS 39 HD1 HIS 39 9.922 -7.285 -4.374
256 HD2 HIS 39 HD2 HIS 39 11.200 -5.028 -7.534
257 HE1 HIS 39 HE1 HIS 39 10.555 -8.868 -6.160
258 H GLY 40 H GLY 40 10.366 -2.741 -3.378
259 1HA GLY 40 2HA GLY 40 10.453 -2.202 -0.787
260 2HA GLY 40 1HA GLY 40 10.196 -0.896 -1.915
261 HA PRO 41 HA PRO 41 10.283 -1.051 1.192
262 1HB PRO 41 2HB PRO 41 9.312 -1.696 3.621
263 2HB PRO 41 1HB PRO 41 8.914 -0.167 2.833
264 1HG PRO 41 2HG PRO 41 7.333 -2.778 2.708
265 2HG PRO 41 1HG PRO 41 6.745 -1.222 3.303
266 1HD PRO 41 2HD PRO 41 6.314 -1.987 0.715
267 2HD PRO 41 1HD PRO 41 6.737 -0.299 1.067
268 H THR 42 H THR 42 11.200 -2.545 3.076
269 HA THR 42 HA THR 42 11.297 -5.353 2.029
270 HB THR 42 HB THR 42 13.391 -4.186 1.360
271 HG1 THR 42 HG1 THR 42 13.453 -6.044 3.406
272 1HG2 THR 42 2HG2 THR 42 13.714 -3.437 4.309
273 2HG2 THR 42 1HG2 THR 42 14.855 -3.096 3.027
274 3HG2 THR 42 3HG2 THR 42 13.306 -2.282 3.045
275 H ILE 43 H ILE 43 9.863 -3.862 4.215
276 HA ILE 43 HA ILE 43 10.436 -5.782 6.440
277 HB ILE 43 HB ILE 43 9.899 -2.745 6.711
278 1HG1 ILE 43 2HG1 ILE 43 12.325 -4.397 7.553
279 2HG1 ILE 43 1HG1 ILE 43 12.255 -3.424 6.103
280 1HG2 ILE 43 3HG2 ILE 43 8.711 -4.074 8.499
281 2HG2 ILE 43 2HG2 ILE 43 10.225 -4.854 8.906
282 3HG2 ILE 43 1HG2 ILE 43 10.018 -3.134 9.176
283 1HD1 ILE 43 1HD1 ILE 43 11.866 -1.374 7.476
284 2HD1 ILE 43 3HD1 ILE 43 11.965 -2.339 8.938
285 3HD1 ILE 43 2HD1 ILE 43 13.366 -2.172 7.905
286 H GLY 44 H GLY 44 8.132 -3.145 5.977
287 1HA GLY 44 2HA GLY 44 5.882 -5.042 6.434
288 2HA GLY 44 1HA GLY 44 5.746 -3.265 6.377
289 H TRP 45 H TRP 45 4.045 -3.514 4.601
290 HA TRP 45 HA TRP 45 5.398 -3.951 1.978
291 1HB TRP 45 2HB TRP 45 2.625 -4.929 2.488
292 2HB TRP 45 1HB TRP 45 3.610 -5.255 1.087
293 HD1 TRP 45 HD1 TRP 45 3.831 -6.096 4.944
294 HE1 TRP 45 HE1 TRP 45 4.622 -8.463 5.007
295 HE3 TRP 45 HE3 TRP 45 4.421 -7.002 0.010
296 HZ2 TRP 45 HZ2 TRP 45 5.418 -10.601 3.254
297 HZ3 TRP 45 HZ3 TRP 45 5.196 -9.211 -0.788
298 HH2 TRP 45 HH2 TRP 45 5.704 -11.003 0.837
299 H CYS 46 H CYS 46 4.039 -3.220 0.233
300 HA CYS 46 HA CYS 46 2.327 -0.879 0.912
301 1HB CYS 46 2HB CYS 46 4.632 -1.195 -0.934
302 2HB CYS 46 1HB CYS 46 3.368 -0.120 -1.421
303 H CYS 47 H CYS 47 0.370 -0.957 0.009
304 HA CYS 47 HA CYS 47 -0.081 -2.362 -2.531
305 1HB CYS 47 2HB CYS 47 -0.569 -3.990 -0.538
306 2HB CYS 47 1HB CYS 47 -1.890 -2.931 -0.096
307 H LYS 48 H LYS 48 -2.763 -2.177 -2.635
308 HA LYS 48 HA LYS 48 -3.705 0.504 -1.912
309 1HB LYS 48 2HB LYS 48 -4.282 1.094 -4.274
310 2HB LYS 48 1HB LYS 48 -2.562 0.805 -4.253
311 1HG LYS 48 2HG LYS 48 -2.852 -1.417 -5.271
312 2HG LYS 48 1HG LYS 48 -4.573 -1.406 -4.992
313 1HD LYS 48 2HD LYS 48 -4.803 -0.711 -7.113
314 2HD LYS 48 1HD LYS 48 -4.383 0.854 -6.504
315 1HE LYS 48 2HE LYS 48 -2.984 0.448 -8.432
316 2HE LYS 48 1HE LYS 48 -1.959 0.371 -7.014
317 1HZ LYS 48 1HZ LYS 48 -2.911 -2.240 -7.389
318 2HZ LYS 48 3HZ LYS 48 -2.424 -1.695 -8.921
319 3HZ LYS 48 2HZ LYS 48 -1.395 -1.706 -7.582
320 H GLN 49 H GLN 49 -6.179 0.377 -2.215
321 HA GLN 49 HA GLN 49 -6.935 -2.199 -1.622
322 1HB GLN 49 2HB GLN 49 -7.890 0.380 -1.128
323 2HB GLN 49 1HB GLN 49 -8.982 -0.142 -2.419
324 1HG GLN 49 2HG GLN 49 -9.155 -2.251 -1.312
325 2HG GLN 49 1HG GLN 49 -8.229 -1.623 0.040
326 1HE2 GLN 49 2HE2 GLN 49 -11.973 -1.339 0.635
327 2HE2 GLN 49 1HE2 GLN 49 -11.106 -2.600 -0.112
No H/Q in entry = 327
Start of MODEL 2
Raw file had 333 H/Q atoms
Start of MODEL 2
1 1H GLY 1 1H GLY 1 -4.017 4.473 6.874
2 2H GLY 1 3H GLY 1 -4.998 3.270 6.195
3 3H GLY 1 2H GLY 1 -4.801 3.356 7.886
4 1HA GLY 1 2HA GLY 1 -3.003 2.015 7.749
5 2HA GLY 1 1HA GLY 1 -3.199 1.988 5.982
6 H VAL 2 H VAL 2 -0.610 2.100 6.365
7 HA VAL 2 HA VAL 2 0.271 4.897 6.858
8 HB VAL 2 HB VAL 2 1.898 2.430 6.034
9 1HG1 VAL 2 2HG1 VAL 2 2.750 5.005 7.431
10 2HG1 VAL 2 1HG1 VAL 2 3.809 3.663 7.045
11 3HG1 VAL 2 3HG1 VAL 2 3.081 4.592 5.756
12 1HG2 VAL 2 1HG2 VAL 2 1.323 3.363 8.889
13 2HG2 VAL 2 3HG2 VAL 2 0.752 1.870 8.154
14 3HG2 VAL 2 2HG2 VAL 2 2.461 2.110 8.442
15 H SER 3 H SER 3 1.311 6.043 5.041
16 HA SER 3 HA SER 3 0.051 5.366 2.498
17 1HB SER 3 2HB SER 3 2.201 7.441 2.999
18 2HB SER 3 1HB SER 3 1.019 7.542 1.729
19 HG SER 3 HG SER 3 0.573 8.733 3.808
20 H CYS 4 H CYS 4 1.294 5.392 0.434
21 HA CYS 4 HA CYS 4 4.079 4.622 0.553
22 1HB CYS 4 2HB CYS 4 3.065 2.424 1.099
23 2HB CYS 4 1HB CYS 4 2.043 2.535 -0.322
24 H LEU 5 H LEU 5 4.994 4.795 -1.430
25 HA LEU 5 HA LEU 5 3.400 6.026 -3.512
26 1HB LEU 5 2HB LEU 5 5.869 6.581 -2.355
27 2HB LEU 5 1HB LEU 5 6.388 5.523 -3.654
28 HG LEU 5 HG LEU 5 4.438 7.679 -4.099
29 1HD1 LEU 5 3HD1 LEU 5 6.338 8.815 -2.974
30 2HD1 LEU 5 2HD1 LEU 5 7.479 8.051 -4.074
31 3HD1 LEU 5 1HD1 LEU 5 6.365 9.276 -4.663
32 1HD2 LEU 5 1HD2 LEU 5 5.006 6.056 -5.997
33 2HD2 LEU 5 3HD2 LEU 5 5.513 7.673 -6.448
34 3HD2 LEU 5 2HD2 LEU 5 6.689 6.496 -5.877
35 H CYS 6 H CYS 6 2.521 4.613 -4.907
36 HA CYS 6 HA CYS 6 3.611 1.882 -5.109
37 1HB CYS 6 2HB CYS 6 1.176 3.264 -6.205
38 2HB CYS 6 1HB CYS 6 1.675 1.766 -6.907
39 H ASP 7 H ASP 7 4.280 1.091 -7.287
40 HA ASP 7 HA ASP 7 5.950 2.993 -8.627
41 1HB ASP 7 2HB ASP 7 4.974 0.196 -9.433
42 2HB ASP 7 1HB ASP 7 6.119 1.118 -10.400
43 H SER 8 H SER 8 2.698 2.394 -8.865
44 HA SER 8 HA SER 8 2.393 3.550 -11.567
45 1HB SER 8 2HB SER 8 0.231 2.706 -9.570
46 2HB SER 8 1HB SER 8 0.026 2.976 -11.310
47 HG SER 8 HG SER 8 1.013 1.124 -11.711
48 H ASP 9 H ASP 9 2.884 4.824 -8.573
49 HA ASP 9 HA ASP 9 1.036 7.106 -8.796
50 1HB ASP 9 2HB ASP 9 3.211 6.465 -6.745
51 2HB ASP 9 1HB ASP 9 2.151 7.853 -6.657
52 H GLY 10 H GLY 10 1.748 8.056 -10.627
53 1HA GLY 10 2HA GLY 10 4.347 8.602 -11.501
54 2HA GLY 10 1HA GLY 10 2.974 9.627 -11.893
55 HA PRO 11 HA PRO 11 5.673 11.139 -8.164
56 1HB PRO 11 2HB PRO 11 8.162 11.920 -9.034
57 2HB PRO 11 1HB PRO 11 7.807 10.252 -8.573
58 1HG PRO 11 2HG PRO 11 7.698 11.497 -11.373
59 2HG PRO 11 1HG PRO 11 8.580 10.050 -10.872
60 1HD PRO 11 2HD PRO 11 6.118 9.802 -12.008
61 2HD PRO 11 1HD PRO 11 6.534 8.760 -10.626
62 H SER 12 H SER 12 6.486 13.287 -7.574
63 HA SER 12 HA SER 12 6.025 15.486 -9.438
64 1HB SER 12 2HB SER 12 4.354 16.459 -7.590
65 2HB SER 12 1HB SER 12 3.727 15.193 -8.655
66 HG SER 12 HG SER 12 3.642 13.906 -6.991
67 H VAL 13 H VAL 13 6.308 17.589 -7.767
68 HA VAL 13 HA VAL 13 8.958 17.108 -6.559
69 HB VAL 13 HB VAL 13 9.049 19.636 -6.477
70 1HG1 VAL 13 2HG1 VAL 13 9.678 18.506 -8.581
71 2HG1 VAL 13 1HG1 VAL 13 8.023 18.586 -9.147
72 3HG1 VAL 13 3HG1 VAL 13 8.937 20.060 -8.904
73 1HG2 VAL 13 2HG2 VAL 13 6.192 19.542 -7.595
74 2HG2 VAL 13 1HG2 VAL 13 6.619 20.072 -5.981
75 3HG2 VAL 13 3HG2 VAL 13 7.165 20.983 -7.373
76 H ARG 14 H ARG 14 8.763 19.204 -4.619
77 HA ARG 14 HA ARG 14 7.853 17.650 -2.419
78 1HB ARG 14 2HB ARG 14 8.983 20.390 -2.816
79 2HB ARG 14 1HB ARG 14 7.855 20.356 -1.493
80 1HG ARG 14 2HG ARG 14 10.198 18.417 -1.783
81 2HG ARG 14 1HG ARG 14 10.234 19.879 -0.813
82 1HD ARG 14 2HD ARG 14 8.297 19.041 0.547
83 2HD ARG 14 1HD ARG 14 8.258 17.560 -0.393
84 HE ARG 14 HE ARG 14 10.866 18.109 0.845
85 1HH1 ARG 14 2HH1 ARG 14 10.042 15.440 0.206
86 2HH1 ARG 14 1HH1 ARG 14 9.488 14.754 1.683
87 1HH2 ARG 14 1HH2 ARG 14 9.164 18.009 3.108
88 2HH2 ARG 14 2HH2 ARG 14 8.922 16.343 3.464
89 H GLY 15 H GLY 15 6.016 17.443 -1.468
90 1HA GLY 15 2HA GLY 15 3.832 18.274 -0.681
91 2HA GLY 15 1HA GLY 15 3.716 19.229 -2.166
92 H ASN 16 H ASN 16 4.952 16.009 -2.102
93 HA ASN 16 HA ASN 16 3.147 15.074 -4.116
94 1HB ASN 16 2HB ASN 16 4.321 12.885 -3.752
95 2HB ASN 16 1HB ASN 16 5.483 14.200 -3.808
96 1HD2 ASN 16 2HD2 ASN 16 5.140 12.023 -0.484
97 2HD2 ASN 16 1HD2 ASN 16 4.284 11.656 -1.899
98 H THR 17 H THR 17 2.098 12.911 -3.819
99 HA THR 17 HA THR 17 0.418 12.749 -1.415
100 HB THR 17 HB THR 17 -1.368 12.040 -3.304
101 HG1 THR 17 HG1 THR 17 -0.460 12.015 -5.227
102 1HG2 THR 17 3HG2 THR 17 -1.267 14.461 -2.315
103 2HG2 THR 17 2HG2 THR 17 -0.129 14.851 -3.589
104 3HG2 THR 17 1HG2 THR 17 -1.777 14.406 -3.989
105 H LEU 18 H LEU 18 -0.708 10.288 -1.721
106 HA LEU 18 HA LEU 18 1.278 8.315 -2.661
107 1HB LEU 18 2HB LEU 18 0.118 8.255 0.133
108 2HB LEU 18 1HB LEU 18 1.160 7.036 -0.569
109 HG LEU 18 HG LEU 18 2.546 9.360 -0.872
110 1HD1 LEU 18 3HD1 LEU 18 1.359 9.548 1.893
111 2HD1 LEU 18 2HD1 LEU 18 2.749 10.459 1.339
112 3HD1 LEU 18 1HD1 LEU 18 1.191 10.673 0.572
113 1HD2 LEU 18 3HD2 LEU 18 3.125 7.245 1.156
114 2HD2 LEU 18 2HD2 LEU 18 3.703 7.397 -0.484
115 3HD2 LEU 18 1HD2 LEU 18 4.205 8.547 0.733
116 H SER 19 H SER 19 0.057 7.030 -3.906
117 HA SER 19 HA SER 19 -2.842 6.742 -3.324
118 1HB SER 19 2HB SER 19 -1.356 5.000 -5.327
119 2HB SER 19 1HB SER 19 -3.043 5.519 -5.368
120 HG SER 19 HG SER 19 -0.902 6.723 -6.393
121 H GLY 20 H GLY 20 0.195 4.982 -3.065
122 1HA GLY 20 2HA GLY 20 -0.968 2.505 -2.402
123 2HA GLY 20 1HA GLY 20 0.727 2.961 -2.263
124 H THR 21 H THR 21 -0.593 1.522 -0.424
125 HA THR 21 HA THR 21 -0.295 3.190 1.898
126 HB THR 21 HB THR 21 -2.437 1.085 1.677
127 HG1 THR 21 HG1 THR 21 -2.402 3.632 0.636
128 1HG2 THR 21 1HG2 THR 21 -1.924 1.879 3.999
129 2HG2 THR 21 3HG2 THR 21 -2.332 3.518 3.495
130 3HG2 THR 21 2HG2 THR 21 -3.571 2.268 3.505
131 H LEU 22 H LEU 22 0.676 2.078 3.283
132 HA LEU 22 HA LEU 22 1.714 -0.602 2.553
133 1HB LEU 22 2HB LEU 22 3.427 0.879 2.812
134 2HB LEU 22 1HB LEU 22 2.823 1.659 4.254
135 HG LEU 22 HG LEU 22 3.444 -1.272 4.590
136 1HD1 LEU 22 2HD1 LEU 22 5.204 -0.642 2.905
137 2HD1 LEU 22 1HD1 LEU 22 5.715 0.670 3.950
138 3HD1 LEU 22 3HD1 LEU 22 5.906 -0.993 4.474
139 1HD2 LEU 22 2HD2 LEU 22 2.987 0.342 6.445
140 2HD2 LEU 22 1HD2 LEU 22 4.582 -0.385 6.596
141 3HD2 LEU 22 3HD2 LEU 22 4.417 1.253 5.995
142 H TRP 23 H TRP 23 1.576 -2.229 3.747
143 HA TRP 23 HA TRP 23 -0.208 -2.148 6.136
144 1HB TRP 23 2HB TRP 23 0.021 -4.088 3.802
145 2HB TRP 23 1HB TRP 23 -0.773 -4.595 5.293
146 HD1 TRP 23 HD1 TRP 23 -1.336 -2.235 2.223
147 HE1 TRP 23 HE1 TRP 23 -3.616 -1.242 2.540
148 HE3 TRP 23 HE3 TRP 23 -2.400 -3.896 6.878
149 HZ2 TRP 23 HZ2 TRP 23 -5.710 -1.090 4.466
150 HZ3 TRP 23 HZ3 TRP 23 -4.553 -3.278 7.939
151 HH2 TRP 23 HH2 TRP 23 -6.202 -1.909 6.749
152 H LEU 24 H LEU 24 0.517 -2.887 7.889
153 HA LEU 24 HA LEU 24 3.264 -3.883 8.130
154 1HB LEU 24 2HB LEU 24 1.403 -3.549 10.499
155 2HB LEU 24 1HB LEU 24 3.127 -3.293 10.405
156 HG LEU 24 HG LEU 24 1.040 -1.558 9.088
157 1HD1 LEU 24 3HD1 LEU 24 2.786 -1.026 11.545
158 2HD1 LEU 24 2HD1 LEU 24 1.714 0.153 10.815
159 3HD1 LEU 24 1HD1 LEU 24 1.048 -1.287 11.559
160 1HD2 LEU 24 1HD2 LEU 24 4.066 -1.177 9.328
161 2HD2 LEU 24 3HD2 LEU 24 3.202 -1.558 7.850
162 3HD2 LEU 24 2HD2 LEU 24 2.959 -0.009 8.635
163 H TYR 25 H TYR 25 0.237 -4.921 7.883
164 HA TYR 25 HA TYR 25 0.070 -7.262 9.500
165 1HB TYR 25 2HB TYR 25 -1.096 -6.657 6.734
166 2HB TYR 25 1HB TYR 25 -1.596 -8.027 7.643
167 HD1 TYR 25 HD1 TYR 25 -1.041 -5.216 9.899
168 HD2 TYR 25 HD2 TYR 25 -3.830 -7.038 7.229
169 HE1 TYR 25 HE1 TYR 25 -2.873 -4.009 10.963
170 HE2 TYR 25 HE2 TYR 25 -5.651 -5.831 8.305
171 HH TYR 25 HH TYR 25 -6.118 -4.723 10.481
172 HA PRO 26 HA PRO 26 3.439 -9.253 8.014
173 1HB PRO 26 2HB PRO 26 3.039 -11.916 8.539
174 2HB PRO 26 1HB PRO 26 3.182 -10.720 9.830
175 1HG PRO 26 2HG PRO 26 0.607 -11.782 8.535
176 2HG PRO 26 1HG PRO 26 0.992 -11.704 10.256
177 1HD PRO 26 2HD PRO 26 -0.479 -9.720 9.098
178 2HD PRO 26 1HD PRO 26 0.748 -9.305 10.318
179 H SER 27 H SER 27 0.725 -9.700 6.327
180 HA SER 27 HA SER 27 2.180 -11.017 4.054
181 1HB SER 27 2HB SER 27 -0.042 -11.862 3.345
182 2HB SER 27 1HB SER 27 0.417 -12.509 4.933
183 HG SER 27 HG SER 27 -1.563 -10.677 4.310
184 H GLY 28 H GLY 28 1.428 -8.180 5.021
185 1HA GLY 28 2HA GLY 28 1.165 -6.154 3.984
186 2HA GLY 28 1HA GLY 28 1.350 -7.012 2.468
187 H CYS 29 H CYS 29 -0.060 -6.744 1.226
188 HA CYS 29 HA CYS 29 -2.277 -5.280 1.321
189 1HB CYS 29 2HB CYS 29 -1.011 -6.588 -0.645
190 2HB CYS 29 1HB CYS 29 -2.456 -7.559 -0.558
191 HA PRO 30 HA PRO 30 -4.913 -8.132 3.662
192 1HB PRO 30 2HB PRO 30 -6.691 -6.293 4.599
193 2HB PRO 30 1HB PRO 30 -5.076 -6.515 5.280
194 1HG PRO 30 2HG PRO 30 -6.001 -4.318 3.385
195 2HG PRO 30 1HG PRO 30 -4.883 -4.277 4.728
196 1HD PRO 30 2HD PRO 30 -4.220 -4.540 1.994
197 2HD PRO 30 1HD PRO 30 -3.102 -4.889 3.341
198 H SER 31 H SER 31 -6.402 -9.225 2.835
199 HA SER 31 HA SER 31 -7.460 -9.173 0.316
200 1HB SER 31 2HB SER 31 -7.756 -11.127 2.107
201 2HB SER 31 1HB SER 31 -9.198 -10.231 2.632
202 HG SER 31 HG SER 31 -8.888 -11.768 0.458
203 H GLY 32 H GLY 32 -8.367 -7.741 -0.548
204 1HA GLY 32 2HA GLY 32 -10.679 -6.618 -0.856
205 2HA GLY 32 1HA GLY 32 -10.294 -5.885 0.720
206 H TRP 33 H TRP 33 -7.311 -6.312 -0.419
207 HA TRP 33 HA TRP 33 -7.180 -3.745 -1.752
208 1HB TRP 33 2HB TRP 33 -5.313 -5.379 0.098
209 2HB TRP 33 1HB TRP 33 -4.685 -4.046 -0.829
210 HD1 TRP 33 HD1 TRP 33 -7.798 -4.513 1.543
211 HE1 TRP 33 HE1 TRP 33 -7.960 -2.270 2.685
212 HE3 TRP 33 HE3 TRP 33 -3.931 -2.169 -0.570
213 HZ2 TRP 33 HZ2 TRP 33 -6.609 0.331 2.733
214 HZ3 TRP 33 HZ3 TRP 33 -3.330 0.151 -0.016
215 HH2 TRP 33 HH2 TRP 33 -4.654 1.405 1.608
216 H HIS 34 H HIS 34 -4.772 -4.198 -2.873
217 HA HIS 34 HA HIS 34 -5.068 -6.495 -4.605
218 1HB HIS 34 2HB HIS 34 -4.867 -3.595 -5.495
219 2HB HIS 34 1HB HIS 34 -4.697 -4.931 -6.635
220 HD1 HIS 34 HD1 HIS 34 -7.206 -6.345 -4.895
221 HD2 HIS 34 HD2 HIS 34 -7.198 -2.861 -7.007
222 HE1 HIS 34 HE1 HIS 34 -9.556 -5.892 -5.507
223 H ASN 35 H ASN 35 -2.928 -4.394 -5.972
224 HA ASN 35 HA ASN 35 -0.594 -4.889 -4.440
225 1HB ASN 35 2HB ASN 35 0.501 -6.584 -6.096
226 2HB ASN 35 1HB ASN 35 -0.779 -7.239 -5.091
227 1HD2 ASN 35 2HD2 ASN 35 -1.693 -6.738 -9.039
228 2HD2 ASN 35 1HD2 ASN 35 -0.638 -5.583 -8.375
229 H CYS 36 H CYS 36 1.088 -3.631 -5.060
230 HA CYS 36 HA CYS 36 1.128 -2.701 -7.912
231 1HB CYS 36 2HB CYS 36 1.298 -0.391 -7.268
232 2HB CYS 36 1HB CYS 36 -0.176 -1.032 -6.610
233 H LYS 37 H LYS 37 2.680 -2.341 -4.790
234 HA LYS 37 HA LYS 37 5.290 -2.072 -6.036
235 1HB LYS 37 2HB LYS 37 4.419 -2.120 -3.139
236 2HB LYS 37 1HB LYS 37 6.044 -1.875 -3.638
237 1HG LYS 37 2HG LYS 37 3.731 -0.008 -4.260
238 2HG LYS 37 1HG LYS 37 5.013 0.303 -3.110
239 1HD LYS 37 2HD LYS 37 5.339 0.094 -6.101
240 2HD LYS 37 1HD LYS 37 5.611 1.507 -5.102
241 1HE LYS 37 2HE LYS 37 7.455 0.283 -3.921
242 2HE LYS 37 1HE LYS 37 7.273 -1.019 -5.093
243 1HZ LYS 37 3HZ LYS 37 7.417 1.461 -6.472
244 2HZ LYS 37 2HZ LYS 37 8.784 1.258 -5.491
245 3HZ LYS 37 1HZ LYS 37 8.259 0.133 -6.682
246 H ALA 38 H ALA 38 4.887 -4.364 -6.884
247 HA ALA 38 HA ALA 38 5.195 -6.570 -5.063
248 1HB ALA 38 2HB ALA 38 4.458 -6.889 -7.460
249 2HB ALA 38 1HB ALA 38 6.053 -6.386 -8.008
250 3HB ALA 38 3HB ALA 38 5.868 -7.879 -7.108
251 H HIS 39 H HIS 39 7.237 -4.163 -5.662
252 HA HIS 39 HA HIS 39 9.747 -5.707 -5.320
253 1HB HIS 39 2HB HIS 39 9.166 -2.847 -6.166
254 2HB HIS 39 1HB HIS 39 10.771 -3.349 -5.654
255 HD1 HIS 39 HD1 HIS 39 11.683 -3.199 -8.087
256 HD2 HIS 39 HD2 HIS 39 8.585 -5.848 -7.806
257 HE1 HIS 39 HE1 HIS 39 11.650 -4.469 -10.197
258 H GLY 40 H GLY 40 7.611 -3.869 -3.305
259 1HA GLY 40 2HA GLY 40 8.382 -4.359 -0.886
260 2HA GLY 40 1HA GLY 40 9.822 -3.479 -1.370
261 HA PRO 41 HA PRO 41 10.537 -1.762 -0.057
262 1HB PRO 41 2HB PRO 41 10.474 -0.842 2.492
263 2HB PRO 41 1HB PRO 41 10.086 0.227 1.137
264 1HG PRO 41 2HG PRO 41 8.107 -1.419 2.826
265 2HG PRO 41 1HG PRO 41 8.106 0.328 2.578
266 1HD PRO 41 2HD PRO 41 6.600 -1.292 0.942
267 2HD PRO 41 1HD PRO 41 7.439 0.116 0.253
268 H THR 42 H THR 42 11.796 -2.570 1.960
269 HA THR 42 HA THR 42 11.140 -5.395 2.283
270 HB THR 42 HB THR 42 13.607 -5.255 3.234
271 HG1 THR 42 HG1 THR 42 14.055 -3.214 3.591
272 1HG2 THR 42 2HG2 THR 42 13.139 -3.953 0.468
273 2HG2 THR 42 1HG2 THR 42 14.588 -4.797 0.979
274 3HG2 THR 42 3HG2 THR 42 13.108 -5.693 0.695
275 H ILE 43 H ILE 43 10.006 -2.947 3.818
276 HA ILE 43 HA ILE 43 9.974 -4.272 6.470
277 HB ILE 43 HB ILE 43 10.073 -1.906 7.522
278 1HG1 ILE 43 2HG1 ILE 43 11.278 -1.083 4.841
279 2HG1 ILE 43 1HG1 ILE 43 9.670 -0.612 5.351
280 1HG2 ILE 43 2HG2 ILE 43 11.977 -3.502 7.588
281 2HG2 ILE 43 1HG2 ILE 43 12.548 -2.919 6.035
282 3HG2 ILE 43 3HG2 ILE 43 12.588 -1.871 7.443
283 1HD1 ILE 43 1HD1 ILE 43 10.626 0.534 7.348
284 2HD1 ILE 43 3HD1 ILE 43 12.252 0.116 6.821
285 3HD1 ILE 43 2HD1 ILE 43 11.262 1.187 5.850
286 H GLY 44 H GLY 44 7.954 -4.961 6.291
287 1HA GLY 44 2HA GLY 44 5.579 -4.728 6.512
288 2HA GLY 44 1HA GLY 44 5.749 -2.985 6.178
289 H TRP 45 H TRP 45 3.885 -3.723 4.529
290 HA TRP 45 HA TRP 45 5.263 -4.506 1.967
291 1HB TRP 45 2HB TRP 45 2.394 -5.062 2.664
292 2HB TRP 45 1HB TRP 45 3.258 -5.641 1.257
293 HD1 TRP 45 HD1 TRP 45 3.682 -6.077 5.191
294 HE1 TRP 45 HE1 TRP 45 4.196 -8.514 5.471
295 HE3 TRP 45 HE3 TRP 45 3.734 -7.550 0.381
296 HZ2 TRP 45 HZ2 TRP 45 4.570 -10.912 3.904
297 HZ3 TRP 45 HZ3 TRP 45 4.166 -9.903 -0.234
298 HH2 TRP 45 HH2 TRP 45 4.591 -11.578 1.531
299 H CYS 46 H CYS 46 4.474 -3.351 0.070
300 HA CYS 46 HA CYS 46 2.847 -0.942 0.802
301 1HB CYS 46 2HB CYS 46 5.151 -1.436 -1.006
302 2HB CYS 46 1HB CYS 46 3.900 -0.372 -1.574
303 H CYS 47 H CYS 47 0.870 -0.883 -0.115
304 HA CYS 47 HA CYS 47 0.468 -2.324 -2.650
305 1HB CYS 47 2HB CYS 47 0.122 -3.899 -0.600
306 2HB CYS 47 1HB CYS 47 -1.363 -3.010 -0.332
307 H LYS 48 H LYS 48 -2.220 -2.313 -2.777
308 HA LYS 48 HA LYS 48 -3.175 0.397 -2.078
309 1HB LYS 48 2HB LYS 48 -3.767 0.796 -4.523
310 2HB LYS 48 1HB LYS 48 -2.043 0.832 -4.202
311 1HG LYS 48 2HG LYS 48 -1.641 -1.311 -5.095
312 2HG LYS 48 1HG LYS 48 -3.297 -1.839 -4.944
313 1HD LYS 48 2HD LYS 48 -2.485 0.384 -6.824
314 2HD LYS 48 1HD LYS 48 -2.440 -1.310 -7.292
315 1HE LYS 48 2HE LYS 48 -4.880 -1.544 -6.717
316 2HE LYS 48 1HE LYS 48 -4.941 0.150 -6.267
317 1HZ LYS 48 2HZ LYS 48 -3.787 0.021 -8.804
318 2HZ LYS 48 1HZ LYS 48 -5.159 -0.996 -8.812
319 3HZ LYS 48 3HZ LYS 48 -5.323 0.624 -8.354
320 H GLN 49 H GLN 49 -5.594 0.563 -2.590
321 HA GLN 49 HA GLN 49 -6.766 -1.967 -2.230
322 1HB GLN 49 2HB GLN 49 -7.060 0.597 -1.113
323 2HB GLN 49 1HB GLN 49 -8.314 0.623 -2.360
324 1HG GLN 49 2HG GLN 49 -8.967 -1.511 -1.708
325 2HG GLN 49 1HG GLN 49 -7.785 -1.529 -0.392
326 1HE2 GLN 49 2HE2 GLN 49 -10.974 -0.635 1.210
327 2HE2 GLN 49 1HE2 GLN 49 -10.345 -1.996 0.398
No H/Q in entry = 327
Start of MODEL 3
Raw file had 333 H/Q atoms
Start of MODEL 3
1 1H GLY 1 1H GLY 1 -1.788 4.356 10.353
2 2H GLY 1 3H GLY 1 -3.323 3.644 10.231
3 3H GLY 1 2H GLY 1 -2.077 2.844 11.073
4 1HA GLY 1 2HA GLY 1 -1.400 1.834 9.200
5 2HA GLY 1 1HA GLY 1 -2.676 2.690 8.306
6 H VAL 2 H VAL 2 -0.469 2.536 6.807
7 HA VAL 2 HA VAL 2 0.687 5.252 6.957
8 HB VAL 2 HB VAL 2 2.338 2.743 6.443
9 1HG1 VAL 2 3HG1 VAL 2 3.184 5.654 6.806
10 2HG1 VAL 2 2HG1 VAL 2 4.283 4.305 6.616
11 3HG1 VAL 2 1HG1 VAL 2 3.228 4.751 5.298
12 1HG2 VAL 2 1HG2 VAL 2 2.284 4.534 8.930
13 2HG2 VAL 2 3HG2 VAL 2 1.711 2.876 8.879
14 3HG2 VAL 2 2HG2 VAL 2 3.416 3.214 8.673
15 H SER 3 H SER 3 1.138 6.087 5.080
16 HA SER 3 HA SER 3 -0.183 5.208 2.665
17 1HB SER 3 2HB SER 3 1.526 7.648 2.724
18 2HB SER 3 1HB SER 3 -0.155 7.550 2.229
19 HG SER 3 HG SER 3 0.680 8.374 4.576
20 H CYS 4 H CYS 4 0.932 5.240 0.501
21 HA CYS 4 HA CYS 4 3.837 5.126 0.406
22 1HB CYS 4 2HB CYS 4 3.283 2.849 1.297
23 2HB CYS 4 1HB CYS 4 2.279 2.543 -0.102
24 H LEU 5 H LEU 5 4.533 5.366 -1.797
25 HA LEU 5 HA LEU 5 2.508 6.167 -3.716
26 1HB LEU 5 2HB LEU 5 5.363 6.511 -3.523
27 2HB LEU 5 1HB LEU 5 5.086 5.662 -5.023
28 HG LEU 5 HG LEU 5 3.954 8.356 -4.137
29 1HD1 LEU 5 1HD1 LEU 5 6.271 8.351 -5.056
30 2HD1 LEU 5 3HD1 LEU 5 5.691 7.547 -6.509
31 3HD1 LEU 5 2HD1 LEU 5 5.170 9.180 -6.145
32 1HD2 LEU 5 3HD2 LEU 5 3.334 6.914 -6.782
33 2HD2 LEU 5 2HD2 LEU 5 2.151 7.192 -5.503
34 3HD2 LEU 5 1HD2 LEU 5 2.840 8.535 -6.363
35 H CYS 6 H CYS 6 2.820 5.253 -6.011
36 HA CYS 6 HA CYS 6 2.805 2.265 -5.925
37 1HB CYS 6 2HB CYS 6 1.064 4.122 -7.577
38 2HB CYS 6 1HB CYS 6 1.053 2.386 -7.686
39 H ASP 7 H ASP 7 3.913 1.251 -7.529
40 HA ASP 7 HA ASP 7 6.038 2.540 -8.836
41 1HB ASP 7 2HB ASP 7 4.713 -0.164 -9.170
42 2HB ASP 7 1HB ASP 7 5.995 0.343 -10.258
43 H SER 8 H SER 8 2.997 2.982 -9.883
44 HA SER 8 HA SER 8 3.927 3.350 -12.728
45 1HB SER 8 2HB SER 8 1.854 1.857 -12.346
46 2HB SER 8 1HB SER 8 1.003 3.335 -11.863
47 HG SER 8 HG SER 8 2.046 4.214 -13.916
48 H ASP 9 H ASP 9 3.317 5.093 -9.937
49 HA ASP 9 HA ASP 9 2.628 7.567 -11.471
50 1HB ASP 9 2HB ASP 9 1.937 6.543 -8.747
51 2HB ASP 9 1HB ASP 9 2.218 8.236 -8.785
52 H GLY 10 H GLY 10 4.419 8.733 -11.888
53 1HA GLY 10 2HA GLY 10 6.591 8.774 -9.841
54 2HA GLY 10 1HA GLY 10 6.893 8.809 -11.584
55 HA PRO 11 HA PRO 11 5.142 13.130 -10.664
56 1HB PRO 11 2HB PRO 11 4.242 13.747 -8.143
57 2HB PRO 11 1HB PRO 11 3.192 12.978 -9.341
58 1HG PRO 11 2HG PRO 11 4.841 11.627 -7.138
59 2HG PRO 11 1HG PRO 11 3.124 11.414 -7.483
60 1HD PRO 11 2HD PRO 11 4.969 9.654 -8.482
61 2HD PRO 11 1HD PRO 11 3.580 10.129 -9.483
62 H SER 12 H SER 12 6.466 14.979 -10.016
63 HA SER 12 HA SER 12 9.000 14.116 -8.839
64 1HB SER 12 2HB SER 12 9.598 16.519 -9.528
65 2HB SER 12 1HB SER 12 9.156 15.350 -10.796
66 HG SER 12 HG SER 12 7.416 17.141 -9.422
67 H VAL 13 H VAL 13 8.880 13.963 -6.851
68 HA VAL 13 HA VAL 13 9.109 16.104 -5.015
69 HB VAL 13 HB VAL 13 6.659 16.432 -5.343
70 1HG1 VAL 13 2HG1 VAL 13 6.141 14.155 -6.189
71 2HG1 VAL 13 1HG1 VAL 13 6.344 13.488 -4.584
72 3HG1 VAL 13 3HG1 VAL 13 5.039 14.622 -4.916
73 1HG2 VAL 13 3HG2 VAL 13 7.438 16.740 -2.993
74 2HG2 VAL 13 2HG2 VAL 13 5.789 16.161 -3.065
75 3HG2 VAL 13 1HG2 VAL 13 7.070 15.057 -2.632
76 H ARG 14 H ARG 14 9.043 15.148 -2.681
77 HA ARG 14 HA ARG 14 9.281 12.284 -2.403
78 1HB ARG 14 2HB ARG 14 11.579 13.174 -3.311
79 2HB ARG 14 1HB ARG 14 11.677 14.122 -1.837
80 1HG ARG 14 2HG ARG 14 11.110 11.409 -1.027
81 2HG ARG 14 1HG ARG 14 12.286 11.306 -2.302
82 1HD ARG 14 2HD ARG 14 12.620 13.092 0.156
83 2HD ARG 14 1HD ARG 14 13.386 11.523 -0.048
84 HE ARG 14 HE ARG 14 13.836 13.625 -2.134
85 1HH1 ARG 14 1HH2 ARG 14 15.147 10.982 -1.857
86 2HH1 ARG 14 2HH2 ARG 14 16.728 11.352 -1.261
87 1HH2 ARG 14 2HH1 ARG 14 15.555 14.604 -0.326
88 2HH2 ARG 14 1HH1 ARG 14 16.980 13.632 -0.314
89 H GLY 15 H GLY 15 9.751 11.915 0.049
90 1HA GLY 15 2HA GLY 15 9.382 12.503 2.306
91 2HA GLY 15 1HA GLY 15 9.312 14.192 1.810
92 H ASN 16 H ASN 16 7.237 13.721 -0.141
93 HA ASN 16 HA ASN 16 4.929 12.903 1.473
94 1HB ASN 16 2HB ASN 16 5.274 15.455 1.732
95 2HB ASN 16 1HB ASN 16 5.089 15.597 -0.011
96 1HD2 ASN 16 2HD2 ASN 16 1.686 16.237 0.981
97 2HD2 ASN 16 1HD2 ASN 16 3.147 17.024 0.599
98 H THR 17 H THR 17 3.019 12.858 0.056
99 HA THR 17 HA THR 17 1.844 12.483 -1.949
100 HB THR 17 HB THR 17 4.437 11.995 -3.522
101 HG1 THR 17 HG1 THR 17 4.828 13.938 -2.872
102 1HG2 THR 17 1HG2 THR 17 2.054 11.800 -4.642
103 2HG2 THR 17 3HG2 THR 17 1.816 13.481 -4.202
104 3HG2 THR 17 2HG2 THR 17 3.085 13.038 -5.327
105 H LEU 18 H LEU 18 0.872 10.593 -2.249
106 HA LEU 18 HA LEU 18 2.305 8.019 -2.578
107 1HB LEU 18 2HB LEU 18 1.216 6.990 -0.703
108 2HB LEU 18 1HB LEU 18 2.114 8.368 -0.121
109 HG LEU 18 HG LEU 18 -0.527 9.245 -0.784
110 1HD1 LEU 18 3HD1 LEU 18 -0.742 6.654 0.655
111 2HD1 LEU 18 2HD1 LEU 18 -1.985 7.898 0.571
112 3HD1 LEU 18 1HD1 LEU 18 -1.381 7.123 -0.879
113 1HD2 LEU 18 3HD2 LEU 18 0.888 9.276 1.813
114 2HD2 LEU 18 2HD2 LEU 18 0.697 10.509 0.626
115 3HD2 LEU 18 1HD2 LEU 18 -0.705 9.948 1.513
116 H SER 19 H SER 19 0.863 6.463 -3.327
117 HA SER 19 HA SER 19 -1.814 7.393 -4.258
118 1HB SER 19 2HB SER 19 0.357 6.264 -6.137
119 2HB SER 19 1HB SER 19 -1.285 6.700 -6.617
120 HG SER 19 HG SER 19 -0.427 8.716 -5.143
121 H GLY 20 H GLY 20 -0.047 5.275 -2.685
122 1HA GLY 20 2HA GLY 20 -1.956 3.136 -2.989
123 2HA GLY 20 1HA GLY 20 -0.230 2.730 -3.022
124 H THR 21 H THR 21 -0.774 1.451 -0.777
125 HA THR 21 HA THR 21 -0.349 3.251 1.394
126 HB THR 21 HB THR 21 -2.696 1.297 1.212
127 HG1 THR 21 HG1 THR 21 -2.372 3.930 0.611
128 1HG2 THR 21 2HG2 THR 21 -1.844 1.563 3.628
129 2HG2 THR 21 1HG2 THR 21 -2.102 3.294 3.447
130 3HG2 THR 21 3HG2 THR 21 -3.455 2.185 3.368
131 H LEU 22 H LEU 22 0.238 2.031 3.100
132 HA LEU 22 HA LEU 22 1.505 -0.589 2.412
133 1HB LEU 22 2HB LEU 22 3.166 1.011 2.641
134 2HB LEU 22 1HB LEU 22 2.535 1.724 4.116
135 HG LEU 22 HG LEU 22 3.504 -1.189 4.066
136 1HD1 LEU 22 3HD1 LEU 22 5.324 0.221 3.025
137 2HD1 LEU 22 2HD1 LEU 22 5.278 1.282 4.422
138 3HD1 LEU 22 1HD1 LEU 22 5.789 -0.384 4.599
139 1HD2 LEU 22 3HD2 LEU 22 3.621 1.031 6.153
140 2HD2 LEU 22 2HD2 LEU 22 2.408 -0.237 6.146
141 3HD2 LEU 22 1HD2 LEU 22 4.108 -0.633 6.376
142 H TRP 23 H TRP 23 1.553 -2.154 3.751
143 HA TRP 23 HA TRP 23 -0.254 -2.155 6.112
144 1HB TRP 23 2HB TRP 23 0.077 -4.146 3.823
145 2HB TRP 23 1HB TRP 23 -0.663 -4.662 5.342
146 HD1 TRP 23 HD1 TRP 23 -1.436 -2.498 2.206
147 HE1 TRP 23 HE1 TRP 23 -3.732 -1.552 2.560
148 HE3 TRP 23 HE3 TRP 23 -2.245 -3.975 6.974
149 HZ2 TRP 23 HZ2 TRP 23 -5.746 -1.363 4.601
150 HZ3 TRP 23 HZ3 TRP 23 -4.370 -3.336 8.109
151 HH2 TRP 23 HH2 TRP 23 -6.099 -2.059 6.913
152 H LEU 24 H LEU 24 0.512 -2.908 7.889
153 HA LEU 24 HA LEU 24 3.326 -3.707 8.111
154 1HB LEU 24 2HB LEU 24 1.434 -3.543 10.477
155 2HB LEU 24 1HB LEU 24 3.143 -3.199 10.402
156 HG LEU 24 HG LEU 24 0.996 -1.528 9.089
157 1HD1 LEU 24 1HD1 LEU 24 2.638 -0.988 11.617
158 2HD1 LEU 24 3HD1 LEU 24 1.529 0.158 10.888
159 3HD1 LEU 24 2HD1 LEU 24 0.916 -1.336 11.573
160 1HD2 LEU 24 2HD2 LEU 24 3.229 -1.438 7.974
161 2HD2 LEU 24 1HD2 LEU 24 2.887 0.108 8.731
162 3HD2 LEU 24 3HD2 LEU 24 3.994 -1.021 9.487
163 H TYR 25 H TYR 25 0.376 -4.959 7.930
164 HA TYR 25 HA TYR 25 0.450 -7.340 9.501
165 1HB TYR 25 2HB TYR 25 -0.857 -6.860 6.784
166 2HB TYR 25 1HB TYR 25 -1.331 -8.124 7.813
167 HD1 TYR 25 HD1 TYR 25 -0.664 -5.416 10.048
168 HD2 TYR 25 HD2 TYR 25 -3.579 -6.985 7.348
169 HE1 TYR 25 HE1 TYR 25 -2.401 -4.180 11.195
170 HE2 TYR 25 HE2 TYR 25 -5.319 -5.740 8.523
171 HH TYR 25 HH TYR 25 -4.978 -4.475 11.526
172 HA PRO 26 HA PRO 26 3.791 -9.163 7.854
173 1HB PRO 26 2HB PRO 26 3.505 -11.863 8.262
174 2HB PRO 26 1HB PRO 26 3.578 -10.731 9.616
175 1HG PRO 26 2HG PRO 26 1.062 -11.829 8.221
176 2HG PRO 26 1HG PRO 26 1.423 -11.840 9.949
177 1HD PRO 26 2HD PRO 26 -0.113 -9.852 8.882
178 2HD PRO 26 1HD PRO 26 1.068 -9.460 10.153
179 H SER 27 H SER 27 0.979 -9.971 6.424
180 HA SER 27 HA SER 27 2.293 -11.075 3.963
181 1HB SER 27 2HB SER 27 -0.129 -11.765 3.408
182 2HB SER 27 1HB SER 27 0.568 -12.588 4.815
183 HG SER 27 HG SER 27 -1.457 -10.734 4.734
184 H GLY 28 H GLY 28 1.473 -8.279 5.162
185 1HA GLY 28 2HA GLY 28 1.189 -6.185 4.163
186 2HA GLY 28 1HA GLY 28 1.373 -7.005 2.634
187 H CYS 29 H CYS 29 -0.076 -6.913 1.430
188 HA CYS 29 HA CYS 29 -2.360 -5.578 1.457
189 1HB CYS 29 2HB CYS 29 -0.993 -7.011 -0.387
190 2HB CYS 29 1HB CYS 29 -2.402 -8.014 -0.225
191 HA PRO 30 HA PRO 30 -4.867 -8.368 4.040
192 1HB PRO 30 2HB PRO 30 -6.793 -6.503 4.683
193 2HB PRO 30 1HB PRO 30 -5.263 -6.674 5.542
194 1HG PRO 30 2HG PRO 30 -6.041 -4.551 3.562
195 2HG PRO 30 1HG PRO 30 -4.907 -4.505 4.886
196 1HD PRO 30 2HD PRO 30 -4.301 -4.892 2.125
197 2HD PRO 30 1HD PRO 30 -3.153 -5.087 3.472
198 H SER 31 H SER 31 -6.269 -9.607 3.204
199 HA SER 31 HA SER 31 -7.123 -9.697 0.615
200 1HB SER 31 2HB SER 31 -8.796 -10.861 2.947
201 2HB SER 31 1HB SER 31 -8.461 -11.650 1.393
202 HG SER 31 HG SER 31 -6.665 -12.363 2.285
203 H GLY 32 H GLY 32 -7.959 -8.215 -0.297
204 1HA GLY 32 2HA GLY 32 -10.397 -7.433 -0.840
205 2HA GLY 32 1HA GLY 32 -10.194 -6.597 0.721
206 H TRP 33 H TRP 33 -7.087 -6.848 -0.333
207 HA TRP 33 HA TRP 33 -7.181 -4.290 -1.711
208 1HB TRP 33 2HB TRP 33 -5.164 -5.715 0.184
209 2HB TRP 33 1HB TRP 33 -4.620 -4.361 -0.745
210 HD1 TRP 33 HD1 TRP 33 -7.711 -5.008 1.630
211 HE1 TRP 33 HE1 TRP 33 -7.972 -2.812 2.842
212 HE3 TRP 33 HE3 TRP 33 -3.962 -2.406 -0.429
213 HZ2 TRP 33 HZ2 TRP 33 -6.749 -0.152 2.966
214 HZ3 TRP 33 HZ3 TRP 33 -3.510 -0.123 0.165
215 HH2 TRP 33 HH2 TRP 33 -4.873 1.047 1.860
216 H HIS 34 H HIS 34 -4.770 -4.509 -2.805
217 HA HIS 34 HA HIS 34 -4.758 -6.836 -4.485
218 1HB HIS 34 2HB HIS 34 -5.215 -4.033 -5.454
219 2HB HIS 34 1HB HIS 34 -4.530 -5.198 -6.573
220 HD1 HIS 34 HD1 HIS 34 -6.221 -7.581 -6.314
221 HD2 HIS 34 HD2 HIS 34 -7.895 -3.888 -5.825
222 HE1 HIS 34 HE1 HIS 34 -8.639 -7.849 -6.724
223 H ASN 35 H ASN 35 -3.137 -3.925 -4.833
224 HA ASN 35 HA ASN 35 -0.524 -4.220 -4.085
225 1HB ASN 35 2HB ASN 35 0.739 -5.052 -5.969
226 2HB ASN 35 1HB ASN 35 -0.309 -6.294 -5.302
227 1HD2 ASN 35 2HD2 ASN 35 -2.244 -6.552 -8.261
228 2HD2 ASN 35 1HD2 ASN 35 -2.171 -6.936 -6.596
229 H CYS 36 H CYS 36 0.741 -2.618 -4.556
230 HA CYS 36 HA CYS 36 0.265 -0.901 -6.944
231 1HB CYS 36 2HB CYS 36 -0.511 -0.126 -4.253
232 2HB CYS 36 1HB CYS 36 0.862 0.834 -4.717
233 H LYS 37 H LYS 37 2.399 -2.482 -4.906
234 HA LYS 37 HA LYS 37 4.631 -1.046 -6.087
235 1HB LYS 37 2HB LYS 37 4.008 -1.637 -3.256
236 2HB LYS 37 1HB LYS 37 5.683 -1.729 -3.620
237 1HG LYS 37 2HG LYS 37 3.801 0.702 -3.950
238 2HG LYS 37 1HG LYS 37 5.127 0.586 -2.822
239 1HD LYS 37 2HD LYS 37 5.354 0.830 -5.819
240 2HD LYS 37 1HD LYS 37 5.896 1.949 -4.596
241 1HE LYS 37 2HE LYS 37 7.568 0.255 -3.762
242 2HE LYS 37 1HE LYS 37 7.004 -0.889 -4.985
243 1HZ LYS 37 1HZ LYS 37 7.607 1.491 -6.304
244 2HZ LYS 37 3HZ LYS 37 8.966 1.010 -5.373
245 3HZ LYS 37 2HZ LYS 37 8.178 0.014 -6.518
246 H ALA 38 H ALA 38 5.433 -2.431 -7.382
247 HA ALA 38 HA ALA 38 5.296 -5.329 -6.990
248 1HB ALA 38 1HB ALA 38 5.143 -4.301 -9.280
249 2HB ALA 38 3HB ALA 38 6.770 -3.663 -9.095
250 3HB ALA 38 2HB ALA 38 6.515 -5.398 -9.195
251 H HIS 39 H HIS 39 6.727 -3.791 -5.007
252 HA HIS 39 HA HIS 39 9.376 -5.160 -5.073
253 1HB HIS 39 2HB HIS 39 8.881 -2.291 -4.024
254 2HB HIS 39 1HB HIS 39 10.416 -3.134 -3.984
255 HD1 HIS 39 HD1 HIS 39 11.863 -2.068 -5.730
256 HD2 HIS 39 HD2 HIS 39 8.039 -2.399 -7.115
257 HE1 HIS 39 HE1 HIS 39 11.867 -1.205 -8.039
258 H GLY 40 H GLY 40 9.751 -3.861 -2.285
259 1HA GLY 40 2HA GLY 40 7.979 -5.753 -0.861
260 2HA GLY 40 1HA GLY 40 9.421 -5.089 -0.196
261 HA PRO 41 HA PRO 41 10.246 -3.197 0.080
262 1HB PRO 41 2HB PRO 41 10.841 -1.448 2.123
263 2HB PRO 41 1HB PRO 41 10.079 -0.860 0.640
264 1HG PRO 41 2HG PRO 41 8.644 -1.737 3.232
265 2HG PRO 41 1HG PRO 41 8.507 -0.187 2.405
266 1HD PRO 41 2HD PRO 41 6.742 -2.262 1.941
267 2HD PRO 41 1HD PRO 41 7.174 -1.136 0.645
268 H THR 42 H THR 42 11.875 -3.149 2.279
269 HA THR 42 HA THR 42 11.452 -5.843 3.360
270 HB THR 42 HB THR 42 13.788 -4.009 4.148
271 HG1 THR 42 HG1 THR 42 14.444 -4.049 2.099
272 1HG2 THR 42 3HG2 THR 42 13.665 -6.476 4.896
273 2HG2 THR 42 2HG2 THR 42 13.665 -6.929 3.197
274 3HG2 THR 42 1HG2 THR 42 15.062 -6.123 3.893
275 H ILE 43 H ILE 43 9.985 -3.255 4.126
276 HA ILE 43 HA ILE 43 9.810 -3.783 7.017
277 HB ILE 43 HB ILE 43 9.879 -1.196 7.380
278 1HG1 ILE 43 2HG1 ILE 43 11.284 -1.291 4.656
279 2HG1 ILE 43 1HG1 ILE 43 9.706 -0.588 4.942
280 1HG2 ILE 43 2HG2 ILE 43 11.709 -2.723 8.124
281 2HG2 ILE 43 1HG2 ILE 43 12.474 -2.594 6.554
282 3HG2 ILE 43 3HG2 ILE 43 12.371 -1.191 7.601
283 1HD1 ILE 43 1HD1 ILE 43 10.695 1.059 6.497
284 2HD1 ILE 43 3HD1 ILE 43 12.300 0.399 6.204
285 3HD1 ILE 43 2HD1 ILE 43 11.416 1.170 4.902
286 H GLY 44 H GLY 44 7.860 -4.715 6.216
287 1HA GLY 44 2HA GLY 44 5.460 -4.478 6.272
288 2HA GLY 44 1HA GLY 44 5.649 -2.742 5.987
289 H TRP 45 H TRP 45 3.811 -3.991 4.391
290 HA TRP 45 HA TRP 45 5.278 -4.357 1.784
291 1HB TRP 45 2HB TRP 45 2.448 -5.248 2.341
292 2HB TRP 45 1HB TRP 45 3.425 -5.611 0.948
293 HD1 TRP 45 HD1 TRP 45 4.221 -6.451 4.795
294 HE1 TRP 45 HE1 TRP 45 4.570 -8.963 4.756
295 HE3 TRP 45 HE3 TRP 45 3.348 -7.472 -0.075
296 HZ2 TRP 45 HZ2 TRP 45 4.521 -11.174 2.982
297 HZ3 TRP 45 HZ3 TRP 45 3.498 -9.779 -0.934
298 HH2 TRP 45 HH2 TRP 45 4.080 -11.624 0.584
299 H CYS 46 H CYS 46 4.610 -3.121 0.041
300 HA CYS 46 HA CYS 46 2.618 -0.964 0.655
301 1HB CYS 46 2HB CYS 46 4.944 -1.220 -1.234
302 2HB CYS 46 1HB CYS 46 3.677 -0.050 -1.525
303 H CYS 47 H CYS 47 0.689 -1.262 -0.182
304 HA CYS 47 HA CYS 47 0.290 -2.536 -2.805
305 1HB CYS 47 2HB CYS 47 0.016 -4.080 -0.549
306 2HB CYS 47 1HB CYS 47 -1.541 -3.323 -0.514
307 H LYS 48 H LYS 48 -2.436 -2.480 -2.802
308 HA LYS 48 HA LYS 48 -3.438 0.119 -1.858
309 1HB LYS 48 2HB LYS 48 -4.308 0.751 -4.096
310 2HB LYS 48 1HB LYS 48 -2.566 0.818 -4.077
311 1HG LYS 48 2HG LYS 48 -2.343 -1.082 -5.377
312 2HG LYS 48 1HG LYS 48 -3.975 -1.681 -5.076
313 1HD LYS 48 2HD LYS 48 -4.955 -0.009 -6.419
314 2HD LYS 48 1HD LYS 48 -3.508 1.002 -6.436
315 1HE LYS 48 2HE LYS 48 -2.330 -0.572 -7.862
316 2HE LYS 48 1HE LYS 48 -3.604 -1.772 -7.724
317 1HZ LYS 48 1HZ LYS 48 -4.709 0.679 -8.545
318 2HZ LYS 48 3HZ LYS 48 -3.414 0.339 -9.588
319 3HZ LYS 48 2HZ LYS 48 -4.680 -0.794 -9.403
320 H GLN 49 H GLN 49 -5.889 0.059 -2.310
321 HA GLN 49 HA GLN 49 -6.730 -2.483 -1.685
322 1HB GLN 49 2HB GLN 49 -7.489 0.144 -1.163
323 2HB GLN 49 1HB GLN 49 -8.635 -0.304 -2.434
324 1HG GLN 49 2HG GLN 49 -9.092 -2.280 -1.369
325 2HG GLN 49 1HG GLN 49 -7.922 -1.966 -0.090
326 1HE2 GLN 49 2HE2 GLN 49 -10.876 -1.018 1.672
327 2HE2 GLN 49 1HE2 GLN 49 -9.963 -2.402 1.263
No H/Q in entry = 327
Start of MODEL 4
Raw file had 333 H/Q atoms
Start of MODEL 4
1 1H GLY 1 1H GLY 1 -3.701 4.633 8.088
2 2H GLY 1 3H GLY 1 -4.815 3.463 7.563
3 3H GLY 1 2H GLY 1 -4.214 3.414 9.155
4 1HA GLY 1 2HA GLY 1 -2.479 2.168 8.511
5 2HA GLY 1 1HA GLY 1 -3.125 2.194 6.850
6 H VAL 2 H VAL 2 -0.357 2.359 7.025
7 HA VAL 2 HA VAL 2 0.361 5.237 7.060
8 HB VAL 2 HB VAL 2 2.076 2.856 6.290
9 1HG1 VAL 2 1HG1 VAL 2 2.902 5.587 7.321
10 2HG1 VAL 2 3HG1 VAL 2 3.991 4.260 6.970
11 3HG1 VAL 2 2HG1 VAL 2 3.074 4.992 5.676
12 1HG2 VAL 2 2HG2 VAL 2 1.182 2.467 8.607
13 2HG2 VAL 2 1HG2 VAL 2 2.895 2.807 8.667
14 3HG2 VAL 2 3HG2 VAL 2 1.742 4.062 9.082
15 H SER 3 H SER 3 0.828 6.306 5.148
16 HA SER 3 HA SER 3 -0.350 5.190 2.719
17 1HB SER 3 2HB SER 3 1.282 7.758 2.923
18 2HB SER 3 1HB SER 3 -0.010 7.434 1.776
19 HG SER 3 HG SER 3 -1.336 8.178 3.281
20 H CYS 4 H CYS 4 0.894 5.231 0.690
21 HA CYS 4 HA CYS 4 3.822 5.035 0.901
22 1HB CYS 4 2HB CYS 4 3.102 2.791 1.640
23 2HB CYS 4 1HB CYS 4 2.185 2.583 0.160
24 H LEU 5 H LEU 5 4.848 4.864 -1.219
25 HA LEU 5 HA LEU 5 3.137 5.955 -3.353
26 1HB LEU 5 2HB LEU 5 5.937 6.211 -2.626
27 2HB LEU 5 1HB LEU 5 5.885 5.492 -4.211
28 HG LEU 5 HG LEU 5 4.540 8.065 -3.405
29 1HD1 LEU 5 3HD1 LEU 5 6.876 7.502 -5.228
30 2HD1 LEU 5 2HD1 LEU 5 6.163 9.078 -4.973
31 3HD1 LEU 5 1HD1 LEU 5 6.978 8.266 -3.637
32 1HD2 LEU 5 2HD2 LEU 5 4.690 6.722 -6.145
33 2HD2 LEU 5 1HD2 LEU 5 3.235 6.927 -5.191
34 3HD2 LEU 5 3HD2 LEU 5 4.041 8.323 -5.843
35 H CYS 6 H CYS 6 2.252 4.670 -4.792
36 HA CYS 6 HA CYS 6 3.252 1.898 -5.050
37 1HB CYS 6 2HB CYS 6 0.739 3.305 -5.809
38 2HB CYS 6 1HB CYS 6 1.103 1.809 -6.593
39 H ASP 7 H ASP 7 3.672 0.958 -7.065
40 HA ASP 7 HA ASP 7 5.209 2.552 -8.913
41 1HB ASP 7 2HB ASP 7 4.432 -0.374 -8.679
42 2HB ASP 7 1HB ASP 7 4.804 0.219 -10.265
43 H SER 8 H SER 8 2.257 2.922 -8.696
44 HA SER 8 HA SER 8 1.759 3.280 -11.611
45 1HB SER 8 2HB SER 8 0.607 1.226 -10.606
46 2HB SER 8 1HB SER 8 -0.238 2.307 -9.492
47 HG SER 8 HG SER 8 -0.632 1.948 -12.252
48 H ASP 9 H ASP 9 2.278 4.742 -8.739
49 HA ASP 9 HA ASP 9 0.266 6.891 -8.973
50 1HB ASP 9 2HB ASP 9 2.627 6.456 -7.074
51 2HB ASP 9 1HB ASP 9 1.504 7.789 -6.919
52 H GLY 10 H GLY 10 1.331 6.831 -11.206
53 1HA GLY 10 2HA GLY 10 2.448 8.091 -12.840
54 2HA GLY 10 1HA GLY 10 2.843 9.253 -11.581
55 HA PRO 11 HA PRO 11 6.830 7.629 -12.693
56 1HB PRO 11 2HB PRO 11 8.478 9.157 -11.123
57 2HB PRO 11 1HB PRO 11 7.605 9.848 -12.494
58 1HG PRO 11 2HG PRO 11 6.792 9.825 -9.549
59 2HG PRO 11 1HG PRO 11 6.845 11.213 -10.644
60 1HD PRO 11 2HD PRO 11 4.484 9.855 -10.185
61 2HD PRO 11 1HD PRO 11 4.833 10.515 -11.802
62 H SER 12 H SER 12 8.891 6.736 -11.571
63 HA SER 12 HA SER 12 7.954 4.773 -9.619
64 1HB SER 12 2HB SER 12 10.445 3.943 -10.261
65 2HB SER 12 1HB SER 12 9.158 3.832 -11.472
66 HG SER 12 HG SER 12 11.348 5.299 -11.648
67 H VAL 13 H VAL 13 9.988 4.147 -8.103
68 HA VAL 13 HA VAL 13 10.903 4.773 -5.964
69 HB VAL 13 HB VAL 13 12.613 5.241 -7.750
70 1HG1 VAL 13 3HG1 VAL 13 11.819 8.167 -7.602
71 2HG1 VAL 13 2HG1 VAL 13 13.331 7.562 -8.237
72 3HG1 VAL 13 1HG1 VAL 13 11.827 7.103 -8.985
73 1HG2 VAL 13 1HG2 VAL 13 12.942 6.810 -5.170
74 2HG2 VAL 13 3HG2 VAL 13 13.366 5.147 -5.508
75 3HG2 VAL 13 2HG2 VAL 13 14.209 6.444 -6.314
76 H ARG 14 H ARG 14 11.530 7.684 -5.801
77 HA ARG 14 HA ARG 14 8.866 8.637 -4.766
78 1HB ARG 14 2HB ARG 14 11.581 9.527 -3.694
79 2HB ARG 14 1HB ARG 14 10.012 9.954 -3.048
80 1HG ARG 14 2HG ARG 14 9.662 7.452 -2.594
81 2HG ARG 14 1HG ARG 14 11.364 7.241 -2.954
82 1HD ARG 14 2HD ARG 14 11.676 9.287 -1.198
83 2HD ARG 14 1HD ARG 14 10.065 8.818 -0.689
84 HE ARG 14 HE ARG 14 10.971 6.540 -0.176
85 1HH1 ARG 14 2HH1 ARG 14 13.350 7.733 -1.774
86 2HH1 ARG 14 1HH1 ARG 14 14.623 7.732 -0.606
87 1HH2 ARG 14 1HH2 ARG 14 12.209 7.125 1.969
88 2HH2 ARG 14 2HH2 ARG 14 13.897 7.356 1.714
89 H GLY 15 H GLY 15 8.591 11.001 -4.816
90 1HA GLY 15 2HA GLY 15 9.949 13.069 -5.812
91 2HA GLY 15 1HA GLY 15 9.770 12.136 -7.308
92 H ASN 16 H ASN 16 7.314 10.999 -6.537
93 HA ASN 16 HA ASN 16 5.476 13.259 -6.951
94 1HB ASN 16 2HB ASN 16 5.414 11.775 -8.856
95 2HB ASN 16 1HB ASN 16 5.318 10.339 -7.824
96 1HD2 ASN 16 2HD2 ASN 16 1.820 10.518 -7.876
97 2HD2 ASN 16 1HD2 ASN 16 3.195 9.537 -7.840
98 H THR 17 H THR 17 3.260 12.919 -6.090
99 HA THR 17 HA THR 17 3.352 12.318 -3.288
100 HB THR 17 HB THR 17 0.863 12.650 -5.091
101 HG1 THR 17 HG1 THR 17 1.623 14.629 -5.177
102 1HG2 THR 17 1HG2 THR 17 0.457 11.882 -2.636
103 2HG2 THR 17 3HG2 THR 17 1.346 13.309 -2.115
104 3HG2 THR 17 2HG2 THR 17 -0.169 13.479 -2.976
105 H LEU 18 H LEU 18 2.352 10.688 -2.182
106 HA LEU 18 HA LEU 18 2.119 8.081 -3.572
107 1HB LEU 18 2HB LEU 18 2.113 7.265 -1.131
108 2HB LEU 18 1HB LEU 18 3.668 7.686 -1.768
109 HG LEU 18 HG LEU 18 1.908 9.496 -0.110
110 1HD1 LEU 18 1HD1 LEU 18 4.227 7.647 0.670
111 2HD1 LEU 18 3HD1 LEU 18 3.449 8.779 1.764
112 3HD1 LEU 18 2HD1 LEU 18 2.544 7.434 1.098
113 1HD2 LEU 18 3HD2 LEU 18 3.905 10.665 -1.420
114 2HD2 LEU 18 2HD2 LEU 18 4.126 10.693 0.308
115 3HD2 LEU 18 1HD2 LEU 18 4.964 9.512 -0.668
116 H SER 19 H SER 19 0.301 7.009 -3.565
117 HA SER 19 HA SER 19 -2.006 8.036 -1.953
118 1HB SER 19 2HB SER 19 -3.451 7.316 -3.922
119 2HB SER 19 1HB SER 19 -2.410 8.696 -4.274
120 HG SER 19 HG SER 19 -1.084 6.334 -4.849
121 H GLY 20 H GLY 20 0.057 5.495 -2.334
122 1HA GLY 20 2HA GLY 20 -1.870 3.404 -2.123
123 2HA GLY 20 1HA GLY 20 -0.120 3.219 -2.114
124 H THR 21 H THR 21 -0.842 1.734 -0.197
125 HA THR 21 HA THR 21 -0.387 3.179 2.227
126 HB THR 21 HB THR 21 -2.673 1.217 1.929
127 HG1 THR 21 HG1 THR 21 -2.547 3.882 1.454
128 1HG2 THR 21 2HG2 THR 21 -1.856 1.316 4.309
129 2HG2 THR 21 1HG2 THR 21 -2.166 3.050 4.304
130 3HG2 THR 21 3HG2 THR 21 -3.488 1.918 4.117
131 H LEU 22 H LEU 22 0.473 1.974 3.566
132 HA LEU 22 HA LEU 22 1.647 -0.616 2.727
133 1HB LEU 22 2HB LEU 22 3.261 0.955 3.236
134 2HB LEU 22 1HB LEU 22 2.559 1.450 4.764
135 HG LEU 22 HG LEU 22 3.202 -1.437 4.862
136 1HD1 LEU 22 1HD1 LEU 22 5.486 0.334 3.948
137 2HD1 LEU 22 3HD1 LEU 22 5.640 -1.341 4.444
138 3HD1 LEU 22 2HD1 LEU 22 4.765 -0.935 2.977
139 1HD2 LEU 22 3HD2 LEU 22 3.153 0.190 6.776
140 2HD2 LEU 22 2HD2 LEU 22 4.661 -0.718 6.711
141 3HD2 LEU 22 1HD2 LEU 22 4.610 0.940 6.149
142 H TRP 23 H TRP 23 1.443 -2.280 3.734
143 HA TRP 23 HA TRP 23 -0.397 -2.503 6.065
144 1HB TRP 23 2HB TRP 23 -0.009 -4.233 3.585
145 2HB TRP 23 1HB TRP 23 -0.716 -4.941 5.042
146 HD1 TRP 23 HD1 TRP 23 -1.636 -2.527 2.141
147 HE1 TRP 23 HE1 TRP 23 -3.964 -1.737 2.611
148 HE3 TRP 23 HE3 TRP 23 -2.269 -4.444 6.760
149 HZ2 TRP 23 HZ2 TRP 23 -5.948 -1.834 4.677
150 HZ3 TRP 23 HZ3 TRP 23 -4.378 -4.049 7.988
151 HH2 TRP 23 HH2 TRP 23 -6.213 -2.751 6.942
152 H LEU 24 H LEU 24 0.359 -3.293 7.773
153 HA LEU 24 HA LEU 24 3.139 -4.204 7.985
154 1HB LEU 24 2HB LEU 24 1.248 -4.051 10.357
155 2HB LEU 24 1HB LEU 24 2.959 -3.706 10.286
156 HG LEU 24 HG LEU 24 0.821 -1.999 8.999
157 1HD1 LEU 24 2HD1 LEU 24 2.427 -1.540 11.559
158 2HD1 LEU 24 1HD1 LEU 24 1.339 -0.367 10.839
159 3HD1 LEU 24 3HD1 LEU 24 0.704 -1.870 11.479
160 1HD2 LEU 24 1HD2 LEU 24 3.809 -1.504 9.399
161 2HD2 LEU 24 3HD2 LEU 24 3.027 -1.844 7.864
162 3HD2 LEU 24 2HD2 LEU 24 2.675 -0.353 8.722
163 H TYR 25 H TYR 25 0.141 -5.358 7.717
164 HA TYR 25 HA TYR 25 0.102 -7.797 9.213
165 1HB TYR 25 2HB TYR 25 -1.120 -7.162 6.474
166 2HB TYR 25 1HB TYR 25 -1.435 -8.627 7.246
167 HD1 TYR 25 HD1 TYR 25 -1.440 -6.539 10.056
168 HD2 TYR 25 HD2 TYR 25 -3.746 -7.482 6.597
169 HE1 TYR 25 HE1 TYR 25 -3.466 -5.793 11.189
170 HE2 TYR 25 HE2 TYR 25 -5.773 -6.730 7.742
171 HH TYR 25 HH TYR 25 -6.077 -6.368 10.951
172 HA PRO 26 HA PRO 26 3.400 -9.761 7.763
173 1HB PRO 26 2HB PRO 26 2.874 -12.478 7.788
174 2HB PRO 26 1HB PRO 26 2.913 -11.519 9.270
175 1HG PRO 26 2HG PRO 26 0.461 -12.242 7.566
176 2HG PRO 26 1HG PRO 26 0.662 -12.442 9.307
177 1HD PRO 26 2HD PRO 26 -0.616 -10.248 8.345
178 2HD PRO 26 1HD PRO 26 0.487 -10.079 9.730
179 H SER 27 H SER 27 0.771 -10.195 5.872
180 HA SER 27 HA SER 27 2.435 -11.021 3.499
181 1HB SER 27 2HB SER 27 0.238 -11.760 2.511
182 2HB SER 27 1HB SER 27 0.677 -12.665 3.967
183 HG SER 27 HG SER 27 -1.404 -10.919 3.610
184 H GLY 28 H GLY 28 1.374 -8.371 4.840
185 1HA GLY 28 2HA GLY 28 1.185 -6.199 3.954
186 2HA GLY 28 1HA GLY 28 1.470 -6.932 2.381
187 H CYS 29 H CYS 29 0.097 -6.697 1.089
188 HA CYS 29 HA CYS 29 -2.252 -5.446 1.285
189 1HB CYS 29 2HB CYS 29 -0.915 -6.322 -0.816
190 2HB CYS 29 1HB CYS 29 -2.133 -7.579 -0.787
191 HA PRO 30 HA PRO 30 -4.814 -8.699 3.102
192 1HB PRO 30 2HB PRO 30 -6.836 -7.065 3.970
193 2HB PRO 30 1HB PRO 30 -5.303 -7.266 4.823
194 1HG PRO 30 2HG PRO 30 -6.171 -4.936 3.091
195 2HG PRO 30 1HG PRO 30 -5.127 -4.968 4.497
196 1HD PRO 30 2HD PRO 30 -4.325 -4.939 1.798
197 2HD PRO 30 1HD PRO 30 -3.280 -5.273 3.205
198 H SER 31 H SER 31 -6.928 -9.371 2.779
199 HA SER 31 HA SER 31 -7.631 -9.405 0.046
200 1HB SER 31 2HB SER 31 -9.122 -10.733 2.442
201 2HB SER 31 1HB SER 31 -9.291 -11.244 0.757
202 HG SER 31 HG SER 31 -7.620 -12.445 1.175
203 H GLY 32 H GLY 32 -8.230 -7.680 -0.477
204 1HA GLY 32 2HA GLY 32 -10.696 -6.702 -0.879
205 2HA GLY 32 1HA GLY 32 -10.356 -6.071 0.748
206 H TRP 33 H TRP 33 -7.345 -6.466 -0.658
207 HA TRP 33 HA TRP 33 -7.334 -3.774 -1.796
208 1HB TRP 33 2HB TRP 33 -5.401 -5.359 0.033
209 2HB TRP 33 1HB TRP 33 -4.837 -3.967 -0.853
210 HD1 TRP 33 HD1 TRP 33 -7.989 -4.587 1.469
211 HE1 TRP 33 HE1 TRP 33 -8.171 -2.451 2.770
212 HE3 TRP 33 HE3 TRP 33 -4.052 -2.104 -0.378
213 HZ2 TRP 33 HZ2 TRP 33 -6.789 0.131 3.066
214 HZ3 TRP 33 HZ3 TRP 33 -3.482 0.131 0.340
215 HH2 TRP 33 HH2 TRP 33 -4.814 1.281 2.047
216 H HIS 34 H HIS 34 -4.857 -4.159 -2.957
217 HA HIS 34 HA HIS 34 -5.327 -6.478 -4.647
218 1HB HIS 34 2HB HIS 34 -4.804 -3.640 -5.550
219 2HB HIS 34 1HB HIS 34 -4.705 -4.992 -6.677
220 HD1 HIS 34 HD1 HIS 34 -7.384 -6.097 -4.814
221 HD2 HIS 34 HD2 HIS 34 -7.010 -2.850 -7.255
222 HE1 HIS 34 HE1 HIS 34 -9.662 -5.474 -5.498
223 H ASN 35 H ASN 35 -2.990 -4.122 -4.809
224 HA ASN 35 HA ASN 35 -0.629 -4.727 -3.853
225 1HB ASN 35 2HB ASN 35 0.590 -6.266 -5.228
226 2HB ASN 35 1HB ASN 35 -0.834 -7.105 -4.656
227 1HD2 ASN 35 2HD2 ASN 35 -2.167 -7.456 -7.945
228 2HD2 ASN 35 1HD2 ASN 35 -2.487 -7.606 -6.277
229 H CYS 36 H CYS 36 1.090 -3.695 -4.769
230 HA CYS 36 HA CYS 36 0.870 -2.537 -7.473
231 1HB CYS 36 2HB CYS 36 0.975 -0.265 -6.775
232 2HB CYS 36 1HB CYS 36 -0.370 -0.981 -5.930
233 H LYS 37 H LYS 37 2.602 -2.297 -4.432
234 HA LYS 37 HA LYS 37 5.177 -2.003 -5.757
235 1HB LYS 37 2HB LYS 37 4.265 -2.023 -2.886
236 2HB LYS 37 1HB LYS 37 5.941 -1.913 -3.191
237 1HG LYS 37 2HG LYS 37 3.974 0.144 -4.222
238 2HG LYS 37 1HG LYS 37 4.860 0.325 -2.740
239 1HD LYS 37 2HD LYS 37 6.139 1.567 -4.182
240 2HD LYS 37 1HD LYS 37 7.015 0.085 -3.989
241 1HE LYS 37 2HE LYS 37 6.748 -0.557 -6.145
242 2HE LYS 37 1HE LYS 37 5.130 0.093 -6.285
243 1HZ LYS 37 1HZ LYS 37 6.958 2.274 -5.997
244 2HZ LYS 37 3HZ LYS 37 7.479 1.190 -7.230
245 3HZ LYS 37 2HZ LYS 37 5.980 1.847 -7.305
246 H ALA 38 H ALA 38 5.087 -4.017 -6.737
247 HA ALA 38 HA ALA 38 5.267 -6.460 -5.133
248 1HB ALA 38 1HB ALA 38 4.424 -6.500 -7.509
249 2HB ALA 38 3HB ALA 38 6.006 -5.961 -8.065
250 3HB ALA 38 2HB ALA 38 5.830 -7.538 -7.320
251 H HIS 39 H HIS 39 7.260 -3.984 -5.256
252 HA HIS 39 HA HIS 39 9.765 -5.611 -5.288
253 1HB HIS 39 2HB HIS 39 9.336 -2.629 -5.782
254 2HB HIS 39 1HB HIS 39 10.924 -3.341 -5.556
255 HD1 HIS 39 HD1 HIS 39 11.171 -5.572 -7.278
256 HD2 HIS 39 HD2 HIS 39 8.618 -2.592 -8.439
257 HE1 HIS 39 HE1 HIS 39 10.845 -5.832 -9.707
258 H GLY 40 H GLY 40 8.498 -2.796 -3.438
259 1HA GLY 40 2HA GLY 40 9.768 -3.991 -1.053
260 2HA GLY 40 1HA GLY 40 10.178 -2.333 -1.517
261 HA PRO 41 HA PRO 41 10.312 -1.229 0.229
262 1HB PRO 41 2HB PRO 41 9.948 -0.387 2.753
263 2HB PRO 41 1HB PRO 41 9.133 0.444 1.422
264 1HG PRO 41 2HG PRO 41 7.963 -1.776 3.202
265 2HG PRO 41 1HG PRO 41 7.313 -0.172 2.848
266 1HD PRO 41 2HD PRO 41 6.540 -2.386 1.372
267 2HD PRO 41 1HD PRO 41 6.666 -0.775 0.635
268 H THR 42 H THR 42 11.693 -1.612 2.399
269 HA THR 42 HA THR 42 11.973 -4.519 2.588
270 HB THR 42 HB THR 42 14.180 -3.630 3.767
271 HG1 THR 42 HG1 THR 42 14.018 -1.551 4.117
272 1HG2 THR 42 2HG2 THR 42 13.511 -2.526 0.955
273 2HG2 THR 42 1HG2 THR 42 15.125 -2.830 1.580
274 3HG2 THR 42 3HG2 THR 42 14.054 -4.174 1.225
275 H ILE 43 H ILE 43 10.091 -2.445 4.078
276 HA ILE 43 HA ILE 43 10.027 -3.949 6.617
277 HB ILE 43 HB ILE 43 9.737 -1.654 7.833
278 1HG1 ILE 43 2HG1 ILE 43 11.162 -0.623 5.328
279 2HG1 ILE 43 1HG1 ILE 43 9.488 -0.281 5.709
280 1HG2 ILE 43 3HG2 ILE 43 11.761 -3.085 8.097
281 2HG2 ILE 43 2HG2 ILE 43 12.476 -2.365 6.669
282 3HG2 ILE 43 1HG2 ILE 43 12.218 -1.400 8.109
283 1HD1 ILE 43 3HD1 ILE 43 10.178 0.846 7.815
284 2HD1 ILE 43 2HD1 ILE 43 11.868 0.548 7.433
285 3HD1 ILE 43 1HD1 ILE 43 10.910 1.600 6.409
286 H GLY 44 H GLY 44 8.036 -4.807 6.279
287 1HA GLY 44 2HA GLY 44 5.629 -4.755 6.415
288 2HA GLY 44 1HA GLY 44 5.685 -2.989 6.270
289 H TRP 45 H TRP 45 3.888 -4.285 4.611
290 HA TRP 45 HA TRP 45 5.284 -4.474 1.958
291 1HB TRP 45 2HB TRP 45 2.492 -5.238 2.613
292 2HB TRP 45 1HB TRP 45 3.346 -5.654 1.154
293 HD1 TRP 45 HD1 TRP 45 3.690 -6.578 5.034
294 HE1 TRP 45 HE1 TRP 45 4.304 -9.044 4.987
295 HE3 TRP 45 HE3 TRP 45 4.052 -7.393 0.061
296 HZ2 TRP 45 HZ2 TRP 45 4.872 -11.132 3.190
297 HZ3 TRP 45 HZ3 TRP 45 4.637 -9.634 -0.811
298 HH2 TRP 45 HH2 TRP 45 5.051 -11.496 0.749
299 H CYS 46 H CYS 46 4.424 -3.280 0.166
300 HA CYS 46 HA CYS 46 2.607 -1.032 0.973
301 1HB CYS 46 2HB CYS 46 4.981 -1.264 -0.796
302 2HB CYS 46 1HB CYS 46 3.743 -0.157 -1.279
303 H CYS 47 H CYS 47 0.709 -0.899 0.033
304 HA CYS 47 HA CYS 47 0.233 -2.064 -2.596
305 1HB CYS 47 2HB CYS 47 -0.146 -3.874 -0.753
306 2HB CYS 47 1HB CYS 47 -1.498 -2.908 -0.219
307 H LYS 48 H LYS 48 -2.459 -2.051 -2.663
308 HA LYS 48 HA LYS 48 -3.413 0.560 -1.745
309 1HB LYS 48 2HB LYS 48 -3.926 1.320 -4.058
310 2HB LYS 48 1HB LYS 48 -2.200 1.068 -3.918
311 1HG LYS 48 2HG LYS 48 -2.484 -1.193 -5.027
312 2HG LYS 48 1HG LYS 48 -4.200 -0.847 -5.214
313 1HD LYS 48 2HD LYS 48 -3.658 1.200 -6.518
314 2HD LYS 48 1HD LYS 48 -1.934 0.864 -6.350
315 1HE LYS 48 2HE LYS 48 -2.278 -1.302 -7.601
316 2HE LYS 48 1HE LYS 48 -3.991 -0.930 -7.760
317 1HZ LYS 48 1HZ LYS 48 -2.462 1.290 -8.683
318 2HZ LYS 48 3HZ LYS 48 -1.903 -0.092 -9.459
319 3HZ LYS 48 2HZ LYS 48 -3.543 0.314 -9.562
320 H GLN 49 H GLN 49 -5.807 0.543 -2.171
321 HA GLN 49 HA GLN 49 -6.838 -1.922 -1.556
322 1HB GLN 49 2HB GLN 49 -7.441 0.780 -1.221
323 2HB GLN 49 1HB GLN 49 -8.553 0.326 -2.513
324 1HG GLN 49 2HG GLN 49 -9.171 -1.568 -1.319
325 2HG GLN 49 1HG GLN 49 -8.089 -1.181 0.011
326 1HE2 GLN 49 2HE2 GLN 49 -11.530 0.068 0.886
327 2HE2 GLN 49 1HE2 GLN 49 -10.989 -1.443 0.321
No H/Q in entry = 327
Start of MODEL 5
Raw file had 333 H/Q atoms
Start of MODEL 5
1 1H GLY 1 1H GLY 1 -3.044 5.065 8.902
2 2H GLY 1 3H GLY 1 -4.199 3.837 8.708
3 3H GLY 1 2H GLY 1 -3.264 3.907 10.128
4 1HA GLY 1 2HA GLY 1 -1.663 2.670 9.190
5 2HA GLY 1 1HA GLY 1 -2.639 2.586 7.703
6 H VAL 2 H VAL 2 -0.016 2.802 7.121
7 HA VAL 2 HA VAL 2 0.612 5.703 6.880
8 HB VAL 2 HB VAL 2 2.364 3.385 6.017
9 1HG1 VAL 2 3HG1 VAL 2 3.054 6.227 6.868
10 2HG1 VAL 2 2HG1 VAL 2 4.217 4.994 6.427
11 3HG1 VAL 2 1HG1 VAL 2 3.088 5.585 5.229
12 1HG2 VAL 2 1HG2 VAL 2 2.295 4.599 8.820
13 2HG2 VAL 2 3HG2 VAL 2 1.832 2.954 8.415
14 3HG2 VAL 2 2HG2 VAL 2 3.495 3.460 8.239
15 H SER 3 H SER 3 0.809 6.646 4.807
16 HA SER 3 HA SER 3 -0.619 5.253 2.675
17 1HB SER 3 2HB SER 3 0.889 7.899 2.280
18 2HB SER 3 1HB SER 3 -0.619 7.371 1.534
19 HG SER 3 HG SER 3 -0.555 8.898 3.532
20 H CYS 4 H CYS 4 0.491 5.090 0.491
21 HA CYS 4 HA CYS 4 3.448 4.873 0.586
22 1HB CYS 4 2HB CYS 4 2.726 2.584 1.132
23 2HB CYS 4 1HB CYS 4 1.608 2.575 -0.216
24 H LEU 5 H LEU 5 4.278 4.370 -1.709
25 HA LEU 5 HA LEU 5 2.511 5.668 -3.723
26 1HB LEU 5 2HB LEU 5 4.231 7.259 -3.344
27 2HB LEU 5 1HB LEU 5 5.411 6.032 -2.937
28 HG LEU 5 HG LEU 5 5.528 5.329 -5.258
29 1HD1 LEU 5 3HD1 LEU 5 3.235 6.023 -6.005
30 2HD1 LEU 5 2HD1 LEU 5 3.671 7.705 -5.813
31 3HD1 LEU 5 1HD1 LEU 5 4.441 6.729 -7.051
32 1HD2 LEU 5 1HD2 LEU 5 7.093 7.077 -4.502
33 2HD2 LEU 5 3HD2 LEU 5 6.656 7.350 -6.179
34 3HD2 LEU 5 2HD2 LEU 5 5.920 8.323 -4.914
35 H CYS 6 H CYS 6 2.138 4.410 -5.501
36 HA CYS 6 HA CYS 6 3.577 1.827 -5.665
37 1HB CYS 6 2HB CYS 6 1.187 2.803 -7.173
38 2HB CYS 6 1HB CYS 6 1.864 1.212 -7.236
39 H ASP 7 H ASP 7 4.557 1.127 -7.658
40 HA ASP 7 HA ASP 7 5.970 3.140 -9.094
41 1HB ASP 7 2HB ASP 7 5.433 0.219 -9.807
42 2HB ASP 7 1HB ASP 7 6.626 1.242 -10.595
43 H SER 8 H SER 8 2.876 2.043 -9.512
44 HA SER 8 HA SER 8 2.584 2.817 -12.347
45 1HB SER 8 2HB SER 8 0.290 2.146 -10.462
46 2HB SER 8 1HB SER 8 0.383 1.898 -12.210
47 HG SER 8 HG SER 8 1.273 0.019 -11.770
48 H ASP 9 H ASP 9 2.814 4.506 -9.567
49 HA ASP 9 HA ASP 9 0.760 6.523 -10.286
50 1HB ASP 9 2HB ASP 9 2.418 6.230 -7.786
51 2HB ASP 9 1HB ASP 9 1.069 7.323 -7.961
52 H GLY 10 H GLY 10 1.418 8.529 -11.022
53 1HA GLY 10 2HA GLY 10 4.048 9.589 -10.502
54 2HA GLY 10 1HA GLY 10 3.783 9.098 -12.184
55 HA PRO 11 HA PRO 11 0.614 12.529 -11.650
56 1HB PRO 11 2HB PRO 11 -0.235 13.447 -9.286
57 2HB PRO 11 1HB PRO 11 -0.696 11.815 -9.798
58 1HG PRO 11 2HG PRO 11 1.687 12.618 -8.028
59 2HG PRO 11 1HG PRO 11 0.428 11.441 -7.638
60 1HD PRO 11 2HD PRO 11 2.843 10.668 -8.765
61 2HD PRO 11 1HD PRO 11 1.334 9.810 -9.154
62 H SER 12 H SER 12 1.089 14.667 -12.170
63 HA SER 12 HA SER 12 3.633 15.720 -11.143
64 1HB SER 12 2HB SER 12 3.084 17.489 -12.884
65 2HB SER 12 1HB SER 12 3.341 15.807 -13.425
66 HG SER 12 HG SER 12 0.870 17.053 -12.753
67 H VAL 13 H VAL 13 3.214 16.226 -9.255
68 HA VAL 13 HA VAL 13 1.907 18.783 -8.610
69 HB VAL 13 HB VAL 13 0.071 17.079 -8.350
70 1HG1 VAL 13 2HG1 VAL 13 1.471 15.096 -7.883
71 2HG1 VAL 13 1HG1 VAL 13 1.909 15.729 -6.311
72 3HG1 VAL 13 3HG1 VAL 13 0.250 15.278 -6.642
73 1HG2 VAL 13 1HG2 VAL 13 0.012 19.001 -6.750
74 2HG2 VAL 13 3HG2 VAL 13 -0.643 17.537 -6.046
75 3HG2 VAL 13 2HG2 VAL 13 0.950 18.067 -5.586
76 H ARG 14 H ARG 14 2.336 19.202 -6.143
77 HA ARG 14 HA ARG 14 4.908 18.028 -5.224
78 1HB ARG 14 2HB ARG 14 4.203 21.045 -5.311
79 2HB ARG 14 1HB ARG 14 5.704 20.382 -4.689
80 1HG ARG 14 2HG ARG 14 6.497 19.770 -6.862
81 2HG ARG 14 1HG ARG 14 4.909 19.794 -7.573
82 1HD ARG 14 2HD ARG 14 6.062 21.730 -8.406
83 2HD ARG 14 1HD ARG 14 4.834 22.300 -7.290
84 HE ARG 14 HE ARG 14 6.956 22.207 -5.608
85 1HH1 ARG 14 1HH2 ARG 14 8.735 21.990 -7.900
86 2HH1 ARG 14 2HH2 ARG 14 9.170 23.611 -8.278
87 1HH2 ARG 14 2HH1 ARG 14 6.398 24.812 -6.384
88 2HH2 ARG 14 1HH1 ARG 14 7.724 25.364 -7.333
89 H GLY 15 H GLY 15 5.076 18.069 -2.924
90 1HA GLY 15 2HA GLY 15 4.169 18.735 -0.720
91 2HA GLY 15 1HA GLY 15 2.577 18.879 -1.466
92 H ASN 16 H ASN 16 2.966 16.424 -2.976
93 HA ASN 16 HA ASN 16 3.264 14.250 -1.085
94 1HB ASN 16 2HB ASN 16 0.953 14.791 -0.465
95 2HB ASN 16 1HB ASN 16 0.491 14.970 -2.151
96 1HD2 ASN 16 2HD2 ASN 16 0.451 11.250 -0.664
97 2HD2 ASN 16 1HD2 ASN 16 1.047 12.516 0.309
98 H THR 17 H THR 17 3.180 12.284 -2.056
99 HA THR 17 HA THR 17 2.653 12.003 -4.878
100 HB THR 17 HB THR 17 5.509 11.412 -3.889
101 HG1 THR 17 HG1 THR 17 4.283 13.759 -4.879
102 1HG2 THR 17 1HG2 THR 17 4.276 11.890 -6.666
103 2HG2 THR 17 3HG2 THR 17 5.945 11.419 -6.361
104 3HG2 THR 17 2HG2 THR 17 4.636 10.291 -6.033
105 H LEU 18 H LEU 18 1.640 10.967 -2.627
106 HA LEU 18 HA LEU 18 1.934 8.080 -3.169
107 1HB LEU 18 2HB LEU 18 2.310 7.411 -0.878
108 2HB LEU 18 1HB LEU 18 3.635 8.375 -1.453
109 HG LEU 18 HG LEU 18 1.418 9.416 0.309
110 1HD1 LEU 18 3HD1 LEU 18 2.752 7.514 1.369
111 2HD1 LEU 18 2HD1 LEU 18 4.228 8.367 1.011
112 3HD1 LEU 18 1HD1 LEU 18 3.099 9.033 2.172
113 1HD2 LEU 18 3HD2 LEU 18 4.263 10.399 -0.287
114 2HD2 LEU 18 2HD2 LEU 18 2.788 11.131 -0.877
115 3HD2 LEU 18 1HD2 LEU 18 3.152 11.177 0.829
116 H SER 19 H SER 19 0.051 7.227 -3.289
117 HA SER 19 HA SER 19 -2.241 8.248 -1.656
118 1HB SER 19 2HB SER 19 -2.458 9.196 -3.937
119 2HB SER 19 1HB SER 19 -2.273 7.593 -4.657
120 HG SER 19 HG SER 19 -4.180 7.123 -3.088
121 H GLY 20 H GLY 20 -0.310 5.708 -2.126
122 1HA GLY 20 2HA GLY 20 -2.313 3.652 -2.108
123 2HA GLY 20 1HA GLY 20 -0.561 3.384 -2.220
124 H THR 21 H THR 21 -1.010 1.808 -0.230
125 HA THR 21 HA THR 21 -0.565 3.339 2.141
126 HB THR 21 HB THR 21 -2.852 1.319 1.852
127 HG1 THR 21 HG1 THR 21 -2.709 4.025 1.511
128 1HG2 THR 21 2HG2 THR 21 -1.896 1.397 4.238
129 2HG2 THR 21 1HG2 THR 21 -2.237 3.125 4.237
130 3HG2 THR 21 3HG2 THR 21 -3.547 1.969 4.125
131 H LEU 22 H LEU 22 0.140 2.058 3.644
132 HA LEU 22 HA LEU 22 1.479 -0.433 2.671
133 1HB LEU 22 2HB LEU 22 3.024 1.215 3.092
134 2HB LEU 22 1HB LEU 22 2.404 1.657 4.663
135 HG LEU 22 HG LEU 22 3.217 -1.194 4.647
136 1HD1 LEU 22 3HD1 LEU 22 5.331 0.757 3.631
137 2HD1 LEU 22 2HD1 LEU 22 5.618 -0.923 4.053
138 3HD1 LEU 22 1HD1 LEU 22 4.618 -0.521 2.665
139 1HD2 LEU 22 1HD2 LEU 22 3.199 0.358 6.616
140 2HD2 LEU 22 3HD2 LEU 22 4.741 -0.463 6.424
141 3HD2 LEU 22 2HD2 LEU 22 4.570 1.213 5.932
142 H TRP 23 H TRP 23 1.415 -2.105 3.761
143 HA TRP 23 HA TRP 23 -0.412 -2.373 6.094
144 1HB TRP 23 2HB TRP 23 0.076 -4.111 3.620
145 2HB TRP 23 1HB TRP 23 -0.641 -4.835 5.057
146 HD1 TRP 23 HD1 TRP 23 -1.585 -2.465 2.116
147 HE1 TRP 23 HE1 TRP 23 -3.942 -1.729 2.562
148 HE3 TRP 23 HE3 TRP 23 -2.218 -4.319 6.762
149 HZ2 TRP 23 HZ2 TRP 23 -5.937 -1.833 4.603
150 HZ3 TRP 23 HZ3 TRP 23 -4.357 -3.919 7.959
151 HH2 TRP 23 HH2 TRP 23 -6.197 -2.707 6.886
152 H LEU 24 H LEU 24 0.447 -3.142 7.837
153 HA LEU 24 HA LEU 24 3.309 -3.791 7.913
154 1HB LEU 24 2HB LEU 24 1.514 -3.889 10.342
155 2HB LEU 24 1HB LEU 24 3.192 -3.419 10.219
156 HG LEU 24 HG LEU 24 0.862 -1.847 9.137
157 1HD1 LEU 24 3HD1 LEU 24 2.699 -1.344 11.535
158 2HD1 LEU 24 2HD1 LEU 24 1.487 -0.210 10.973
159 3HD1 LEU 24 1HD1 LEU 24 0.997 -1.766 11.619
160 1HD2 LEU 24 1HD2 LEU 24 3.833 -1.143 9.234
161 2HD2 LEU 24 3HD2 LEU 24 2.910 -1.492 7.784
162 3HD2 LEU 24 2HD2 LEU 24 2.568 -0.048 8.710
163 H TYR 25 H TYR 25 0.436 -5.189 7.691
164 HA TYR 25 HA TYR 25 0.558 -7.672 9.066
165 1HB TYR 25 2HB TYR 25 -0.670 -7.013 6.358
166 2HB TYR 25 1HB TYR 25 -1.058 -8.446 7.187
167 HD1 TYR 25 HD1 TYR 25 -0.730 -5.872 9.697
168 HD2 TYR 25 HD2 TYR 25 -3.362 -7.538 6.780
169 HE1 TYR 25 HE1 TYR 25 -2.643 -4.915 10.847
170 HE2 TYR 25 HE2 TYR 25 -5.266 -6.581 7.938
171 HH TYR 25 HH TYR 25 -5.883 -5.648 10.098
172 HA PRO 26 HA PRO 26 4.008 -9.291 7.461
173 1HB PRO 26 2HB PRO 26 3.751 -12.038 7.601
174 2HB PRO 26 1HB PRO 26 3.793 -11.030 9.051
175 1HG PRO 26 2HG PRO 26 1.314 -12.021 7.529
176 2HG PRO 26 1HG PRO 26 1.643 -12.170 9.260
177 1HD PRO 26 2HD PRO 26 0.107 -10.117 8.361
178 2HD PRO 26 1HD PRO 26 1.299 -9.813 9.645
179 H SER 27 H SER 27 1.325 -9.952 5.733
180 HA SER 27 HA SER 27 2.902 -10.768 3.306
181 1HB SER 27 2HB SER 27 0.698 -11.641 2.486
182 2HB SER 27 1HB SER 27 1.306 -12.487 3.920
183 HG SER 27 HG SER 27 -0.918 -10.901 3.713
184 H GLY 28 H GLY 28 1.715 -8.111 4.581
185 1HA GLY 28 2HA GLY 28 1.356 -6.021 3.616
186 2HA GLY 28 1HA GLY 28 1.627 -6.791 2.055
187 H CYS 29 H CYS 29 0.175 -6.658 0.816
188 HA CYS 29 HA CYS 29 -2.199 -5.480 1.091
189 1HB CYS 29 2HB CYS 29 -0.981 -6.492 -1.030
190 2HB CYS 29 1HB CYS 29 -2.196 -7.740 -0.848
191 HA PRO 30 HA PRO 30 -4.585 -8.667 3.232
192 1HB PRO 30 2HB PRO 30 -6.538 -7.079 4.204
193 2HB PRO 30 1HB PRO 30 -4.919 -7.147 4.907
194 1HG PRO 30 2HG PRO 30 -6.068 -4.974 3.127
195 2HG PRO 30 1HG PRO 30 -4.934 -4.884 4.460
196 1HD PRO 30 2HD PRO 30 -4.313 -4.984 1.693
197 2HD PRO 30 1HD PRO 30 -3.144 -5.152 3.032
198 H SER 31 H SER 31 -6.660 -9.446 2.842
199 HA SER 31 HA SER 31 -7.432 -9.463 0.155
200 1HB SER 31 2HB SER 31 -9.339 -11.043 1.246
201 2HB SER 31 1HB SER 31 -7.675 -11.586 1.518
202 HG SER 31 HG SER 31 -9.041 -9.699 3.163
203 H GLY 32 H GLY 32 -8.387 -7.981 -0.654
204 1HA GLY 32 2HA GLY 32 -10.712 -6.873 -0.788
205 2HA GLY 32 1HA GLY 32 -10.257 -6.221 0.805
206 H TRP 33 H TRP 33 -7.330 -6.587 -0.650
207 HA TRP 33 HA TRP 33 -7.384 -3.949 -1.919
208 1HB TRP 33 2HB TRP 33 -5.350 -5.409 -0.107
209 2HB TRP 33 1HB TRP 33 -4.886 -3.984 -0.979
210 HD1 TRP 33 HD1 TRP 33 -7.969 -4.774 1.409
211 HE1 TRP 33 HE1 TRP 33 -8.175 -2.697 2.796
212 HE3 TRP 33 HE3 TRP 33 -4.134 -2.098 -0.411
213 HZ2 TRP 33 HZ2 TRP 33 -6.881 -0.114 3.178
214 HZ3 TRP 33 HZ3 TRP 33 -3.640 0.116 0.400
215 HH2 TRP 33 HH2 TRP 33 -4.978 1.145 2.190
216 H HIS 34 H HIS 34 -4.892 -4.295 -2.983
217 HA HIS 34 HA HIS 34 -5.194 -6.579 -4.751
218 1HB HIS 34 2HB HIS 34 -4.813 -3.691 -5.543
219 2HB HIS 34 1HB HIS 34 -4.261 -4.941 -6.661
220 HD1 HIS 34 HD1 HIS 34 -6.178 -6.324 -7.778
221 HD2 HIS 34 HD2 HIS 34 -7.587 -3.527 -5.164
222 HE1 HIS 34 HE1 HIS 34 -8.604 -6.191 -8.148
223 H ASN 35 H ASN 35 -2.877 -4.231 -5.130
224 HA ASN 35 HA ASN 35 -0.587 -4.661 -3.898
225 1HB ASN 35 2HB ASN 35 0.730 -6.324 -5.151
226 2HB ASN 35 1HB ASN 35 -0.651 -7.104 -4.395
227 1HD2 ASN 35 2HD2 ASN 35 -2.108 -8.003 -7.515
228 2HD2 ASN 35 1HD2 ASN 35 -2.338 -7.883 -5.824
229 H CYS 36 H CYS 36 1.177 -3.693 -4.863
230 HA CYS 36 HA CYS 36 0.976 -2.877 -7.703
231 1HB CYS 36 2HB CYS 36 0.931 -0.543 -7.242
232 2HB CYS 36 1HB CYS 36 -0.390 -1.261 -6.379
233 H LYS 37 H LYS 37 2.634 -2.428 -4.639
234 HA LYS 37 HA LYS 37 5.213 -2.082 -5.949
235 1HB LYS 37 2HB LYS 37 4.265 -2.126 -3.091
236 2HB LYS 37 1HB LYS 37 5.948 -1.908 -3.394
237 1HG LYS 37 2HG LYS 37 3.665 -0.061 -4.255
238 2HG LYS 37 1HG LYS 37 4.923 0.324 -3.104
239 1HD LYS 37 2HD LYS 37 5.252 0.069 -6.111
240 2HD LYS 37 1HD LYS 37 5.501 1.480 -5.099
241 1HE LYS 37 2HE LYS 37 7.358 0.216 -3.930
242 2HE LYS 37 1HE LYS 37 7.225 -0.989 -5.204
243 1HZ LYS 37 2HZ LYS 37 7.347 1.583 -6.415
244 2HZ LYS 37 1HZ LYS 37 8.660 1.392 -5.351
245 3HZ LYS 37 3HZ LYS 37 8.282 0.325 -6.643
246 H ALA 38 H ALA 38 5.203 -4.178 -6.896
247 HA ALA 38 HA ALA 38 5.336 -6.618 -5.254
248 1HB ALA 38 2HB ALA 38 4.375 -6.683 -7.588
249 2HB ALA 38 1HB ALA 38 5.940 -6.196 -8.235
250 3HB ALA 38 3HB ALA 38 5.767 -7.752 -7.452
251 H HIS 39 H HIS 39 7.025 -4.949 -4.314
252 HA HIS 39 HA HIS 39 9.680 -6.170 -4.736
253 1HB HIS 39 2HB HIS 39 9.095 -3.206 -5.067
254 2HB HIS 39 1HB HIS 39 10.693 -3.749 -4.574
255 HD1 HIS 39 HD1 HIS 39 11.939 -5.217 -6.330
256 HD2 HIS 39 HD2 HIS 39 8.451 -3.657 -7.777
257 HE1 HIS 39 HE1 HIS 39 12.002 -5.498 -8.792
258 H GLY 40 H GLY 40 7.975 -3.629 -2.833
259 1HA GLY 40 2HA GLY 40 8.407 -4.938 -0.371
260 2HA GLY 40 1HA GLY 40 9.693 -3.759 -0.644
261 HA PRO 41 HA PRO 41 10.145 -2.003 0.325
262 1HB PRO 41 2HB PRO 41 10.064 -0.670 2.687
263 2HB PRO 41 1HB PRO 41 9.620 0.118 1.169
264 1HG PRO 41 2HG PRO 41 7.749 -1.216 3.174
265 2HG PRO 41 1HG PRO 41 7.637 0.426 2.535
266 1HD PRO 41 2HD PRO 41 6.208 -1.616 1.361
267 2HD PRO 41 1HD PRO 41 6.927 -0.341 0.359
268 H THR 42 H THR 42 11.716 -2.736 1.854
269 HA THR 42 HA THR 42 11.178 -5.391 2.760
270 HB THR 42 HB THR 42 13.734 -4.939 3.503
271 HG1 THR 42 HG1 THR 42 14.022 -2.853 3.346
272 1HG2 THR 42 2HG2 THR 42 12.922 -4.382 0.579
273 2HG2 THR 42 1HG2 THR 42 14.476 -4.983 1.126
274 3HG2 THR 42 3HG2 THR 42 13.057 -6.010 1.211
275 H ILE 43 H ILE 43 9.626 -3.443 4.183
276 HA ILE 43 HA ILE 43 10.454 -4.200 6.956
277 HB ILE 43 HB ILE 43 9.910 -1.869 7.786
278 1HG1 ILE 43 2HG1 ILE 43 9.892 -1.153 4.816
279 2HG1 ILE 43 1HG1 ILE 43 8.511 -1.073 5.896
280 1HG2 ILE 43 2HG2 ILE 43 12.267 -2.585 7.416
281 2HG2 ILE 43 1HG2 ILE 43 12.198 -2.030 5.757
282 3HG2 ILE 43 3HG2 ILE 43 12.106 -0.880 7.076
283 1HD1 ILE 43 3HD1 ILE 43 9.649 0.656 7.262
284 2HD1 ILE 43 2HD1 ILE 43 11.015 0.633 6.158
285 3HD1 ILE 43 1HD1 ILE 43 9.447 1.160 5.595
286 H GLY 44 H GLY 44 7.960 -2.811 4.946
287 1HA GLY 44 2HA GLY 44 5.827 -4.335 6.269
288 2HA GLY 44 1HA GLY 44 5.648 -2.556 6.195
289 H TRP 45 H TRP 45 3.907 -4.173 4.528
290 HA TRP 45 HA TRP 45 5.280 -4.039 1.860
291 1HB TRP 45 2HB TRP 45 2.553 -5.025 2.431
292 2HB TRP 45 1HB TRP 45 3.434 -5.290 0.958
293 HD1 TRP 45 HD1 TRP 45 3.924 -6.400 4.770
294 HE1 TRP 45 HE1 TRP 45 4.706 -8.792 4.565
295 HE3 TRP 45 HE3 TRP 45 4.198 -6.926 -0.251
296 HZ2 TRP 45 HZ2 TRP 45 5.354 -10.746 2.663
297 HZ3 TRP 45 HZ3 TRP 45 4.911 -9.067 -1.258
298 HH2 TRP 45 HH2 TRP 45 5.502 -10.984 0.196
299 H CYS 46 H CYS 46 4.315 -3.082 0.108
300 HA CYS 46 HA CYS 46 2.537 -0.779 0.764
301 1HB CYS 46 2HB CYS 46 4.797 -1.280 -1.067
302 2HB CYS 46 1HB CYS 46 3.537 -0.272 -1.691
303 H CYS 47 H CYS 47 0.471 -0.903 0.017
304 HA CYS 47 HA CYS 47 -0.111 -2.080 -2.570
305 1HB CYS 47 2HB CYS 47 -0.357 -3.937 -0.682
306 2HB CYS 47 1HB CYS 47 -1.783 -3.048 -0.191
307 H LYS 48 H LYS 48 -2.629 -2.094 -2.784
308 HA LYS 48 HA LYS 48 -3.758 0.417 -1.655
309 1HB LYS 48 2HB LYS 48 -3.537 -0.154 -4.681
310 2HB LYS 48 1HB LYS 48 -4.351 1.234 -3.976
311 1HG LYS 48 2HG LYS 48 -2.014 1.552 -2.698
312 2HG LYS 48 1HG LYS 48 -1.366 0.604 -4.000
313 1HD LYS 48 2HD LYS 48 -2.836 3.251 -4.233
314 2HD LYS 48 1HD LYS 48 -1.103 3.027 -4.322
315 1HE LYS 48 2HE LYS 48 -1.576 1.476 -6.343
316 2HE LYS 48 1HE LYS 48 -3.184 2.203 -6.359
317 1HZ LYS 48 1HZ LYS 48 -1.087 4.196 -6.081
318 2HZ LYS 48 3HZ LYS 48 -0.843 3.308 -7.405
319 3HZ LYS 48 2HZ LYS 48 -2.287 4.068 -7.277
320 H GLN 49 H GLN 49 -6.102 0.410 -1.903
321 HA GLN 49 HA GLN 49 -7.090 -2.112 -1.495
322 1HB GLN 49 2HB GLN 49 -7.755 0.472 -0.772
323 2HB GLN 49 1HB GLN 49 -8.931 0.181 -2.059
324 1HG GLN 49 2HG GLN 49 -9.210 -2.055 -1.056
325 2HG GLN 49 1HG GLN 49 -8.258 -1.476 0.291
326 1HE2 GLN 49 2HE2 GLN 49 -11.994 -0.965 0.869
327 2HE2 GLN 49 1HE2 GLN 49 -11.232 -2.268 0.077
No H/Q in entry = 327
Start of MODEL 6
Raw file had 333 H/Q atoms
Start of MODEL 6
1 1H GLY 1 3H GLY 1 -3.620 4.806 8.151
2 2H GLY 1 2H GLY 1 -4.742 3.585 7.803
3 3H GLY 1 1H GLY 1 -3.997 3.653 9.334
4 1HA GLY 1 2HA GLY 1 -2.310 2.381 8.620
5 2HA GLY 1 1HA GLY 1 -3.069 2.321 7.009
6 H VAL 2 H VAL 2 -0.269 2.577 7.056
7 HA VAL 2 HA VAL 2 0.287 5.484 6.881
8 HB VAL 2 HB VAL 2 2.171 3.322 5.972
9 1HG1 VAL 2 3HG1 VAL 2 2.680 6.061 7.172
10 2HG1 VAL 2 2HG1 VAL 2 3.924 4.925 6.681
11 3HG1 VAL 2 1HG1 VAL 2 2.842 5.600 5.482
12 1HG2 VAL 2 2HG2 VAL 2 1.845 4.159 8.893
13 2HG2 VAL 2 1HG2 VAL 2 1.497 2.563 8.247
14 3HG2 VAL 2 3HG2 VAL 2 3.142 3.146 8.282
15 H SER 3 H SER 3 0.290 6.507 4.939
16 HA SER 3 HA SER 3 -0.708 5.076 2.627
17 1HB SER 3 2HB SER 3 0.486 7.885 2.623
18 2HB SER 3 1HB SER 3 -0.722 7.241 1.513
19 HG SER 3 HG SER 3 -2.059 8.068 2.947
20 H CYS 4 H CYS 4 0.564 5.201 0.561
21 HA CYS 4 HA CYS 4 3.478 5.463 0.720
22 1HB CYS 4 2HB CYS 4 3.121 3.191 1.699
23 2HB CYS 4 1HB CYS 4 2.243 2.698 0.269
24 H LEU 5 H LEU 5 4.460 4.949 -1.559
25 HA LEU 5 HA LEU 5 2.485 5.717 -3.596
26 1HB LEU 5 2HB LEU 5 4.256 6.632 -4.696
27 2HB LEU 5 1HB LEU 5 4.523 7.070 -3.053
28 HG LEU 5 HG LEU 5 6.005 4.790 -3.120
29 1HD1 LEU 5 3HD1 LEU 5 6.179 5.895 -5.980
30 2HD1 LEU 5 2HD1 LEU 5 7.217 4.660 -5.291
31 3HD1 LEU 5 1HD1 LEU 5 5.517 4.340 -5.533
32 1HD2 LEU 5 2HD2 LEU 5 6.828 7.531 -4.157
33 2HD2 LEU 5 1HD2 LEU 5 6.715 7.056 -2.460
34 3HD2 LEU 5 3HD2 LEU 5 7.934 6.321 -3.500
35 H CYS 6 H CYS 6 2.382 4.615 -5.466
36 HA CYS 6 HA CYS 6 3.196 1.770 -5.331
37 1HB CYS 6 2HB CYS 6 1.080 3.266 -6.847
38 2HB CYS 6 1HB CYS 6 1.560 1.674 -7.351
39 H ASP 7 H ASP 7 3.963 0.782 -7.374
40 HA ASP 7 HA ASP 7 6.133 2.267 -8.502
41 1HB ASP 7 2HB ASP 7 4.790 -0.409 -9.117
42 2HB ASP 7 1HB ASP 7 6.049 0.199 -10.188
43 H SER 8 H SER 8 2.904 2.023 -9.316
44 HA SER 8 HA SER 8 3.052 2.905 -12.062
45 1HB SER 8 2HB SER 8 0.754 3.494 -10.102
46 2HB SER 8 1HB SER 8 0.643 3.309 -11.854
47 HG SER 8 HG SER 8 0.591 1.208 -11.585
48 H ASP 9 H ASP 9 3.171 4.338 -8.940
49 HA ASP 9 HA ASP 9 3.024 7.121 -9.883
50 1HB ASP 9 2HB ASP 9 3.746 6.226 -7.044
51 2HB ASP 9 1HB ASP 9 2.937 7.694 -7.537
52 H GLY 10 H GLY 10 4.791 6.407 -11.268
53 1HA GLY 10 2HA GLY 10 7.376 5.670 -10.741
54 2HA GLY 10 1HA GLY 10 7.046 6.975 -11.878
55 HA PRO 11 HA PRO 11 8.018 8.319 -7.355
56 1HB PRO 11 2HB PRO 11 10.504 7.584 -6.498
57 2HB PRO 11 1HB PRO 11 9.139 6.467 -6.457
58 1HG PRO 11 2HG PRO 11 11.261 6.754 -8.670
59 2HG PRO 11 1HG PRO 11 10.779 5.278 -7.825
60 1HD PRO 11 2HD PRO 11 9.659 5.913 -10.238
61 2HD PRO 11 1HD PRO 11 8.666 5.164 -8.967
62 H SER 12 H SER 12 9.741 9.870 -6.321
63 HA SER 12 HA SER 12 11.267 11.372 -8.357
64 1HB SER 12 2HB SER 12 10.146 13.536 -7.594
65 2HB SER 12 1HB SER 12 8.961 12.429 -8.309
66 HG SER 12 HG SER 12 9.211 13.294 -5.744
67 H VAL 13 H VAL 13 12.867 12.815 -7.268
68 HA VAL 13 HA VAL 13 13.686 11.637 -4.703
69 HB VAL 13 HB VAL 13 15.495 13.269 -4.833
70 1HG1 VAL 13 1HG1 VAL 13 15.095 11.499 -7.313
71 2HG1 VAL 13 3HG1 VAL 13 16.660 12.123 -6.822
72 3HG1 VAL 13 2HG1 VAL 13 15.803 11.000 -5.787
73 1HG2 VAL 13 1HG2 VAL 13 14.397 14.005 -7.621
74 2HG2 VAL 13 3HG2 VAL 13 14.517 15.095 -6.254
75 3HG2 VAL 13 2HG2 VAL 13 15.963 14.489 -7.015
76 H ARG 14 H ARG 14 11.853 12.171 -3.776
77 HA ARG 14 HA ARG 14 10.757 13.228 -1.967
78 1HB ARG 14 2HB ARG 14 12.955 14.614 -1.703
79 2HB ARG 14 1HB ARG 14 12.234 15.782 -2.792
80 1HG ARG 14 2HG ARG 14 10.372 16.173 -1.275
81 2HG ARG 14 1HG ARG 14 11.055 14.997 -0.141
82 1HD ARG 14 2HD ARG 14 13.095 16.371 0.059
83 2HD ARG 14 1HD ARG 14 12.513 17.479 -1.178
84 HE ARG 14 HE ARG 14 11.010 18.418 0.388
85 1HH1 ARG 14 1HH2 ARG 14 9.424 16.789 1.710
86 2HH1 ARG 14 2HH2 ARG 14 10.104 16.414 3.246
87 1HH2 ARG 14 2HH1 ARG 14 13.325 17.411 2.107
88 2HH2 ARG 14 1HH1 ARG 14 12.521 16.776 3.488
89 H GLY 15 H GLY 15 9.016 14.927 -1.853
90 1HA GLY 15 2HA GLY 15 7.207 16.122 -2.822
91 2HA GLY 15 1HA GLY 15 8.170 16.269 -4.304
92 H ASN 16 H ASN 16 8.137 13.177 -3.250
93 HA ASN 16 HA ASN 16 6.616 12.200 -5.482
94 1HB ASN 16 2HB ASN 16 7.000 9.946 -4.337
95 2HB ASN 16 1HB ASN 16 8.465 10.886 -4.559
96 1HD2 ASN 16 2HD2 ASN 16 7.374 9.971 -0.841
97 2HD2 ASN 16 1HD2 ASN 16 6.566 9.309 -2.181
98 H THR 17 H THR 17 4.688 11.138 -5.492
99 HA THR 17 HA THR 17 2.745 12.004 -3.458
100 HB THR 17 HB THR 17 2.130 10.566 -6.126
101 HG1 THR 17 HG1 THR 17 3.334 12.968 -5.623
102 1HG2 THR 17 1HG2 THR 17 0.188 11.138 -4.468
103 2HG2 THR 17 3HG2 THR 17 0.672 12.819 -4.616
104 3HG2 THR 17 2HG2 THR 17 0.082 11.949 -6.017
105 H LEU 18 H LEU 18 1.208 10.363 -2.595
106 HA LEU 18 HA LEU 18 2.042 7.556 -2.864
107 1HB LEU 18 2HB LEU 18 2.233 7.316 -0.386
108 2HB LEU 18 1HB LEU 18 3.540 8.199 -1.138
109 HG LEU 18 HG LEU 18 1.144 9.538 0.158
110 1HD1 LEU 18 3HD1 LEU 18 2.349 7.989 1.781
111 2HD1 LEU 18 2HD1 LEU 18 3.861 8.767 1.396
112 3HD1 LEU 18 1HD1 LEU 18 2.604 9.665 2.233
113 1HD2 LEU 18 1HD2 LEU 18 4.036 10.481 -0.292
114 2HD2 LEU 18 3HD2 LEU 18 2.671 11.052 -1.215
115 3HD2 LEU 18 2HD2 LEU 18 2.785 11.435 0.477
116 H SER 19 H SER 19 0.033 7.583 -3.828
117 HA SER 19 HA SER 19 -2.446 7.944 -2.308
118 1HB SER 19 2HB SER 19 -2.095 6.732 -5.086
119 2HB SER 19 1HB SER 19 -3.579 7.398 -4.384
120 HG SER 19 HG SER 19 -1.433 8.699 -5.461
121 H GLY 20 H GLY 20 -0.320 5.489 -2.177
122 1HA GLY 20 2HA GLY 20 -2.283 3.380 -2.067
123 2HA GLY 20 1HA GLY 20 -0.545 3.130 -2.136
124 H THR 21 H THR 21 -1.115 1.686 -0.186
125 HA THR 21 HA THR 21 -0.544 3.164 2.185
126 HB THR 21 HB THR 21 -2.839 1.166 2.093
127 HG1 THR 21 HG1 THR 21 -2.764 3.858 1.512
128 1HG2 THR 21 3HG2 THR 21 -1.776 1.487 4.360
129 2HG2 THR 21 2HG2 THR 21 -2.120 3.209 4.234
130 3HG2 THR 21 1HG2 THR 21 -3.435 2.051 4.302
131 H LEU 22 H LEU 22 0.351 1.965 3.534
132 HA LEU 22 HA LEU 22 1.472 -0.607 2.601
133 1HB LEU 22 2HB LEU 22 3.135 0.969 2.955
134 2HB LEU 22 1HB LEU 22 2.513 1.536 4.495
135 HG LEU 22 HG LEU 22 3.250 -1.375 4.531
136 1HD1 LEU 22 3HD1 LEU 22 5.425 0.682 3.973
137 2HD1 LEU 22 2HD1 LEU 22 5.694 -1.008 4.372
138 3HD1 LEU 22 1HD1 LEU 22 4.917 -0.576 2.858
139 1HD2 LEU 22 2HD2 LEU 22 2.834 0.104 6.527
140 2HD2 LEU 22 1HD2 LEU 22 4.440 -0.616 6.574
141 3HD2 LEU 22 3HD2 LEU 22 4.242 1.055 6.090
142 H TRP 23 H TRP 23 1.434 -2.266 3.697
143 HA TRP 23 HA TRP 23 -0.309 -2.468 6.102
144 1HB TRP 23 2HB TRP 23 0.013 -4.228 3.623
145 2HB TRP 23 1HB TRP 23 -0.710 -4.903 5.087
146 HD1 TRP 23 HD1 TRP 23 -1.536 -2.391 2.194
147 HE1 TRP 23 HE1 TRP 23 -3.830 -1.535 2.685
148 HE3 TRP 23 HE3 TRP 23 -2.289 -4.409 6.787
149 HZ2 TRP 23 HZ2 TRP 23 -5.827 -1.590 4.709
150 HZ3 TRP 23 HZ3 TRP 23 -4.413 -3.914 7.985
151 HH2 TRP 23 HH2 TRP 23 -6.167 -2.553 6.959
152 H LEU 24 H LEU 24 0.523 -3.312 7.792
153 HA LEU 24 HA LEU 24 3.358 -4.062 7.870
154 1HB LEU 24 2HB LEU 24 1.550 -4.117 10.302
155 2HB LEU 24 1HB LEU 24 3.234 -3.671 10.197
156 HG LEU 24 HG LEU 24 0.938 -2.059 9.080
157 1HD1 LEU 24 1HD1 LEU 24 2.708 -1.578 11.531
158 2HD1 LEU 24 3HD1 LEU 24 1.499 -0.449 10.957
159 3HD1 LEU 24 2HD1 LEU 24 1.007 -2.015 11.573
160 1HD2 LEU 24 2HD2 LEU 24 3.030 -1.734 7.802
161 2HD2 LEU 24 1HD2 LEU 24 2.650 -0.280 8.709
162 3HD2 LEU 24 3HD2 LEU 24 3.903 -1.369 9.277
163 H TYR 25 H TYR 25 0.437 -5.369 7.597
164 HA TYR 25 HA TYR 25 0.529 -7.872 8.974
165 1HB TYR 25 2HB TYR 25 -0.756 -7.165 6.291
166 2HB TYR 25 1HB TYR 25 -1.174 -8.574 7.155
167 HD1 TYR 25 HD2 TYR 25 -0.703 -6.071 9.669
168 HD2 TYR 25 HD1 TYR 25 -3.423 -7.533 6.720
169 HE1 TYR 25 HE2 TYR 25 -2.568 -5.052 10.862
170 HE2 TYR 25 HE1 TYR 25 -5.276 -6.512 7.923
171 HH TYR 25 HH TYR 25 -5.825 -5.705 10.118
172 HA PRO 26 HA PRO 26 4.009 -9.290 7.258
173 1HB PRO 26 2HB PRO 26 3.920 -12.058 7.374
174 2HB PRO 26 1HB PRO 26 3.954 -11.055 8.826
175 1HG PRO 26 2HG PRO 26 1.489 -12.174 7.364
176 2HG PRO 26 1HG PRO 26 1.880 -12.339 9.078
177 1HD PRO 26 2HD PRO 26 0.192 -10.356 8.255
178 2HD PRO 26 1HD PRO 26 1.398 -9.996 9.512
179 H SER 27 H SER 27 1.348 -9.984 5.525
180 HA SER 27 HA SER 27 2.935 -10.752 3.092
181 1HB SER 27 2HB SER 27 0.603 -11.591 2.322
182 2HB SER 27 1HB SER 27 1.447 -12.540 3.557
183 HG SER 27 HG SER 27 -0.285 -12.114 4.707
184 H GLY 28 H GLY 28 1.650 -8.192 4.414
185 1HA GLY 28 2HA GLY 28 1.367 -6.075 3.542
186 2HA GLY 28 1HA GLY 28 1.547 -6.779 1.941
187 H CYS 29 H CYS 29 0.064 -6.396 0.794
188 HA CYS 29 HA CYS 29 -2.258 -5.195 1.249
189 1HB CYS 29 2HB CYS 29 -1.109 -6.115 -0.983
190 2HB CYS 29 1HB CYS 29 -2.473 -7.198 -0.902
191 HA PRO 30 HA PRO 30 -4.691 -8.441 3.182
192 1HB PRO 30 2HB PRO 30 -6.645 -6.856 4.239
193 2HB PRO 30 1HB PRO 30 -5.020 -6.945 4.923
194 1HG PRO 30 2HG PRO 30 -6.139 -4.752 3.091
195 2HG PRO 30 1HG PRO 30 -5.101 -4.645 4.495
196 1HD PRO 30 2HD PRO 30 -4.292 -4.682 1.819
197 2HD PRO 30 1HD PRO 30 -3.226 -5.032 3.211
198 H SER 31 H SER 31 -6.842 -9.111 3.095
199 HA SER 31 HA SER 31 -7.740 -9.337 0.456
200 1HB SER 31 2HB SER 31 -9.309 -10.288 2.955
201 2HB SER 31 1HB SER 31 -9.142 -11.159 1.420
202 HG SER 31 HG SER 31 -7.402 -12.024 2.295
203 H GLY 32 H GLY 32 -8.568 -7.831 -0.441
204 1HA GLY 32 2HA GLY 32 -10.880 -6.790 -0.799
205 2HA GLY 32 1HA GLY 32 -10.611 -6.104 0.820
206 H TRP 33 H TRP 33 -7.562 -6.486 -0.538
207 HA TRP 33 HA TRP 33 -7.585 -3.793 -1.691
208 1HB TRP 33 2HB TRP 33 -5.599 -5.303 0.156
209 2HB TRP 33 1HB TRP 33 -5.120 -3.916 -0.778
210 HD1 TRP 33 HD1 TRP 33 -8.270 -4.496 1.558
211 HE1 TRP 33 HE1 TRP 33 -8.403 -2.333 2.831
212 HE3 TRP 33 HE3 TRP 33 -4.255 -2.177 -0.296
213 HZ2 TRP 33 HZ2 TRP 33 -6.920 0.219 3.094
214 HZ3 TRP 33 HZ3 TRP 33 -3.596 0.047 0.387
215 HH2 TRP 33 HH2 TRP 33 -4.893 1.269 2.059
216 H HIS 34 H HIS 34 -4.975 -4.162 -2.719
217 HA HIS 34 HA HIS 34 -5.283 -6.444 -4.479
218 1HB HIS 34 2HB HIS 34 -4.811 -3.545 -5.351
219 2HB HIS 34 1HB HIS 34 -4.723 -4.905 -6.469
220 HD1 HIS 34 HD1 HIS 34 -7.439 -6.013 -4.819
221 HD2 HIS 34 HD2 HIS 34 -6.953 -2.629 -7.025
222 HE1 HIS 34 HE1 HIS 34 -9.695 -5.342 -5.565
223 H ASN 35 H ASN 35 -2.993 -4.421 -5.640
224 HA ASN 35 HA ASN 35 -0.755 -4.758 -4.050
225 1HB ASN 35 2HB ASN 35 0.425 -6.615 -5.449
226 2HB ASN 35 1HB ASN 35 -0.839 -7.167 -4.365
227 1HD2 ASN 35 2HD2 ASN 35 -1.849 -7.330 -8.306
228 2HD2 ASN 35 1HD2 ASN 35 -1.045 -5.908 -7.814
229 H CYS 36 H CYS 36 0.901 -3.611 -4.800
230 HA CYS 36 HA CYS 36 1.059 -2.947 -7.701
231 1HB CYS 36 2HB CYS 36 0.990 -0.581 -7.351
232 2HB CYS 36 1HB CYS 36 -0.440 -1.281 -6.637
233 H LYS 37 H LYS 37 2.523 -2.325 -4.503
234 HA LYS 37 HA LYS 37 5.105 -1.911 -5.786
235 1HB LYS 37 2HB LYS 37 4.197 -1.853 -2.910
236 2HB LYS 37 1HB LYS 37 5.835 -1.587 -3.247
237 1HG LYS 37 2HG LYS 37 3.504 0.174 -4.104
238 2HG LYS 37 1HG LYS 37 4.788 0.623 -3.005
239 1HD LYS 37 2HD LYS 37 5.087 0.231 -5.953
240 2HD LYS 37 1HD LYS 37 5.314 1.709 -5.036
241 1HE LYS 37 2HE LYS 37 7.228 0.719 -3.828
242 2HE LYS 37 1HE LYS 37 7.053 -0.755 -4.777
243 1HZ LYS 37 2HZ LYS 37 7.178 1.363 -6.602
244 2HZ LYS 37 1HZ LYS 37 8.494 1.525 -5.546
245 3HZ LYS 37 3HZ LYS 37 8.152 0.110 -6.443
246 H ALA 38 H ALA 38 4.889 -4.060 -6.634
247 HA ALA 38 HA ALA 38 5.173 -6.414 -4.979
248 1HB ALA 38 2HB ALA 38 5.975 -5.946 -7.872
249 2HB ALA 38 1HB ALA 38 5.842 -7.525 -7.106
250 3HB ALA 38 3HB ALA 38 4.405 -6.536 -7.331
251 H HIS 39 H HIS 39 7.212 -3.989 -5.104
252 HA HIS 39 HA HIS 39 9.688 -5.636 -5.016
253 1HB HIS 39 2HB HIS 39 9.279 -2.670 -5.396
254 2HB HIS 39 1HB HIS 39 10.833 -3.469 -5.281
255 HD1 HIS 39 HD1 HIS 39 10.816 -5.630 -7.211
256 HD2 HIS 39 HD2 HIS 39 8.412 -2.410 -7.970
257 HE1 HIS 39 HE1 HIS 39 10.278 -5.702 -9.614
258 H GLY 40 H GLY 40 7.648 -3.865 -2.875
259 1HA GLY 40 2HA GLY 40 8.821 -4.708 -0.563
260 2HA GLY 40 1HA GLY 40 9.802 -3.312 -1.016
261 HA PRO 41 HA PRO 41 10.166 -1.620 0.214
262 1HB PRO 41 2HB PRO 41 10.057 -0.537 2.719
263 2HB PRO 41 1HB PRO 41 9.454 0.318 1.297
264 1HG PRO 41 2HG PRO 41 7.860 -1.414 3.241
265 2HG PRO 41 1HG PRO 41 7.536 0.256 2.759
266 1HD PRO 41 2HD PRO 41 6.280 -1.815 1.487
267 2HD PRO 41 1HD PRO 41 6.826 -0.412 0.547
268 H THR 42 H THR 42 11.606 -1.908 2.361
269 HA THR 42 HA THR 42 11.632 -4.845 2.770
270 HB THR 42 HB THR 42 13.659 -3.509 1.854
271 HG1 THR 42 HG1 THR 42 14.696 -5.126 2.720
272 1HG2 THR 42 3HG2 THR 42 13.488 -1.513 3.460
273 2HG2 THR 42 2HG2 THR 42 13.891 -2.609 4.772
274 3HG2 THR 42 1HG2 THR 42 15.054 -2.296 3.501
275 H ILE 43 H ILE 43 9.848 -2.851 4.162
276 HA ILE 43 HA ILE 43 10.493 -3.682 6.991
277 HB ILE 43 HB ILE 43 9.046 -1.088 6.218
278 1HG1 ILE 43 2HG1 ILE 43 11.399 -0.978 5.404
279 2HG1 ILE 43 1HG1 ILE 43 11.100 0.149 6.702
280 1HG2 ILE 43 3HG2 ILE 43 10.241 -2.026 8.873
281 2HG2 ILE 43 2HG2 ILE 43 9.521 -0.451 8.593
282 3HG2 ILE 43 1HG2 ILE 43 8.536 -1.897 8.498
283 1HD1 ILE 43 1HD1 ILE 43 12.482 -2.564 7.034
284 2HD1 ILE 43 3HD1 ILE 43 13.279 -1.007 7.007
285 3HD1 ILE 43 2HD1 ILE 43 12.203 -1.410 8.323
286 H GLY 44 H GLY 44 7.828 -2.451 5.054
287 1HA GLY 44 2HA GLY 44 5.986 -4.579 6.059
288 2HA GLY 44 1HA GLY 44 5.469 -2.874 6.038
289 H TRP 45 H TRP 45 3.901 -4.102 4.266
290 HA TRP 45 HA TRP 45 5.370 -4.101 1.629
291 1HB TRP 45 2HB TRP 45 2.595 -5.074 2.140
292 2HB TRP 45 1HB TRP 45 3.522 -5.318 0.691
293 HD1 TRP 45 HD1 TRP 45 3.994 -6.436 4.502
294 HE1 TRP 45 HE1 TRP 45 4.715 -8.849 4.296
295 HE3 TRP 45 HE3 TRP 45 4.156 -6.985 -0.515
296 HZ2 TRP 45 HZ2 TRP 45 5.272 -10.838 2.375
297 HZ3 TRP 45 HZ3 TRP 45 4.789 -9.144 -1.533
298 HH2 TRP 45 HH2 TRP 45 5.351 -11.074 -0.091
299 H CYS 46 H CYS 46 4.570 -2.787 -0.096
300 HA CYS 46 HA CYS 46 2.588 -0.720 0.783
301 1HB CYS 46 2HB CYS 46 4.930 -0.830 -1.067
302 2HB CYS 46 1HB CYS 46 3.695 0.333 -1.431
303 H CYS 47 H CYS 47 0.665 -0.657 -0.120
304 HA CYS 47 HA CYS 47 0.194 -1.857 -2.761
305 1HB CYS 47 2HB CYS 47 0.024 -3.664 -0.978
306 2HB CYS 47 1HB CYS 47 -1.352 -2.802 -0.328
307 H LYS 48 H LYS 48 -2.546 -2.047 -2.686
308 HA LYS 48 HA LYS 48 -3.607 0.559 -1.798
309 1HB LYS 48 2HB LYS 48 -4.348 1.163 -4.140
310 2HB LYS 48 1HB LYS 48 -2.590 1.028 -4.068
311 1HG LYS 48 2HG LYS 48 -2.617 -1.140 -5.187
312 2HG LYS 48 1HG LYS 48 -4.299 -1.410 -4.821
313 1HD LYS 48 2HD LYS 48 -4.526 -0.972 -7.028
314 2HD LYS 48 1HD LYS 48 -4.783 0.624 -6.403
315 1HE LYS 48 2HE LYS 48 -2.178 -0.447 -7.574
316 2HE LYS 48 1HE LYS 48 -3.265 0.688 -8.345
317 1HZ LYS 48 2HZ LYS 48 -2.624 1.696 -5.809
318 2HZ LYS 48 1HZ LYS 48 -1.174 1.258 -6.556
319 3HZ LYS 48 3HZ LYS 48 -2.222 2.353 -7.304
320 H GLN 49 H GLN 49 -6.046 0.567 -2.217
321 HA GLN 49 HA GLN 49 -7.026 -1.927 -1.510
322 1HB GLN 49 2HB GLN 49 -7.620 0.775 -1.047
323 2HB GLN 49 1HB GLN 49 -8.798 0.355 -2.298
324 1HG GLN 49 2HG GLN 49 -9.340 -1.564 -1.154
325 2HG GLN 49 1HG GLN 49 -8.196 -1.209 0.138
326 1HE2 GLN 49 2HE2 GLN 49 -11.746 0.165 0.872
327 2HE2 GLN 49 1HE2 GLN 49 -11.369 -1.250 -0.002
No H/Q in entry = 327
Start of MODEL 7
Raw file had 333 H/Q atoms
Start of MODEL 7
1 1H GLY 1 1H GLY 1 -2.131 7.140 8.868
2 2H GLY 1 3H GLY 1 -3.786 6.842 8.662
3 3H GLY 1 2H GLY 1 -2.995 6.313 10.077
4 1HA GLY 1 2HA GLY 1 -2.435 4.381 9.096
5 2HA GLY 1 1HA GLY 1 -3.270 4.927 7.622
6 H VAL 2 H VAL 2 -0.922 3.536 7.090
7 HA VAL 2 HA VAL 2 1.002 5.751 6.501
8 HB VAL 2 HB VAL 2 1.793 2.827 6.736
9 1HG1 VAL 2 2HG1 VAL 2 3.391 5.425 6.901
10 2HG1 VAL 2 1HG1 VAL 2 4.076 3.819 7.046
11 3HG1 VAL 2 3HG1 VAL 2 3.354 4.324 5.533
12 1HG2 VAL 2 3HG2 VAL 2 1.919 4.888 8.986
13 2HG2 VAL 2 2HG2 VAL 2 0.901 3.455 8.976
14 3HG2 VAL 2 1HG2 VAL 2 2.640 3.288 9.044
15 H SER 3 H SER 3 1.679 5.855 4.428
16 HA SER 3 HA SER 3 0.876 3.767 2.541
17 1HB SER 3 2HB SER 3 0.404 6.753 2.427
18 2HB SER 3 1HB SER 3 0.252 5.768 1.004
19 HG SER 3 HG SER 3 -1.622 5.222 1.714
20 H CYS 4 H CYS 4 1.783 4.432 0.351
21 HA CYS 4 HA CYS 4 4.372 5.739 0.417
22 1HB CYS 4 2HB CYS 4 5.321 3.351 -0.496
23 2HB CYS 4 1HB CYS 4 5.459 3.874 1.158
24 H LEU 5 H LEU 5 5.434 5.729 -1.579
25 HA LEU 5 HA LEU 5 3.870 6.321 -3.806
26 1HB LEU 5 2HB LEU 5 6.254 7.034 -2.913
27 2HB LEU 5 1HB LEU 5 6.822 5.625 -3.788
28 HG LEU 5 HG LEU 5 5.114 7.740 -4.940
29 1HD1 LEU 5 1HD1 LEU 5 7.240 8.774 -4.236
30 2HD1 LEU 5 3HD1 LEU 5 8.165 7.521 -5.052
31 3HD1 LEU 5 2HD1 LEU 5 7.218 8.662 -5.985
32 1HD2 LEU 5 1HD2 LEU 5 6.941 5.603 -6.206
33 2HD2 LEU 5 3HD2 LEU 5 5.190 5.642 -6.321
34 3HD2 LEU 5 2HD2 LEU 5 6.153 6.876 -7.088
35 H CYS 6 H CYS 6 2.867 4.913 -5.161
36 HA CYS 6 HA CYS 6 3.839 2.132 -5.280
37 1HB CYS 6 2HB CYS 6 1.312 3.395 -6.365
38 2HB CYS 6 1HB CYS 6 1.696 1.699 -6.519
39 H ASP 7 H ASP 7 3.957 0.959 -7.273
40 HA ASP 7 HA ASP 7 5.755 1.965 -9.110
41 1HB ASP 7 2HB ASP 7 3.690 -0.249 -9.391
42 2HB ASP 7 1HB ASP 7 4.996 -0.015 -10.531
43 H SER 8 H SER 8 2.545 2.769 -9.072
44 HA SER 8 HA SER 8 2.441 3.553 -11.949
45 1HB SER 8 2HB SER 8 0.203 3.783 -9.876
46 2HB SER 8 1HB SER 8 0.065 3.847 -11.636
47 HG SER 8 HG SER 8 1.531 1.691 -10.905
48 H ASP 9 H ASP 9 2.924 4.968 -8.852
49 HA ASP 9 HA ASP 9 2.279 7.689 -9.833
50 1HB ASP 9 2HB ASP 9 3.237 6.583 -7.141
51 2HB ASP 9 1HB ASP 9 3.220 8.286 -7.432
52 H GLY 10 H GLY 10 3.875 8.525 -11.151
53 1HA GLY 10 2HA GLY 10 6.731 7.882 -10.525
54 2HA GLY 10 1HA GLY 10 6.118 8.172 -12.145
55 HA PRO 11 HA PRO 11 6.100 12.491 -10.229
56 1HB PRO 11 2HB PRO 11 6.617 12.942 -7.597
57 2HB PRO 11 1HB PRO 11 5.045 12.334 -8.123
58 1HG PRO 11 2HG PRO 11 7.454 10.708 -7.140
59 2HG PRO 11 1HG PRO 11 5.788 10.647 -6.544
60 1HD PRO 11 2HD PRO 11 6.664 8.851 -8.430
61 2HD PRO 11 1HD PRO 11 5.003 9.481 -8.457
62 H SER 12 H SER 12 7.720 14.089 -9.040
63 HA SER 12 HA SER 12 10.353 13.565 -10.187
64 1HB SER 12 2HB SER 12 10.509 16.123 -9.478
65 2HB SER 12 1HB SER 12 9.304 15.726 -10.717
66 HG SER 12 HG SER 12 8.921 16.078 -7.896
67 H VAL 13 H VAL 13 12.167 14.763 -8.698
68 HA VAL 13 HA VAL 13 12.215 13.145 -6.251
69 HB VAL 13 HB VAL 13 13.907 15.614 -6.758
70 1HG1 VAL 13 2HG1 VAL 13 14.123 14.592 -4.542
71 2HG1 VAL 13 1HG1 VAL 13 14.533 13.040 -5.255
72 3HG1 VAL 13 3HG1 VAL 13 15.631 14.400 -5.412
73 1HG2 VAL 13 1HG2 VAL 13 14.548 12.803 -7.837
74 2HG2 VAL 13 3HG2 VAL 13 14.161 14.192 -8.841
75 3HG2 VAL 13 2HG2 VAL 13 15.646 14.170 -7.919
76 H ARG 14 H ARG 14 11.146 13.858 -4.586
77 HA ARG 14 HA ARG 14 10.103 15.229 -2.940
78 1HB ARG 14 2HB ARG 14 11.830 17.092 -3.831
79 2HB ARG 14 1HB ARG 14 10.467 17.646 -4.779
80 1HG ARG 14 2HG ARG 14 9.136 17.929 -2.652
81 2HG ARG 14 1HG ARG 14 10.580 17.490 -1.738
82 1HD ARG 14 2HD ARG 14 11.806 19.379 -3.039
83 2HD ARG 14 1HD ARG 14 10.230 19.889 -3.606
84 HE ARG 14 HE ARG 14 11.307 20.712 -1.181
85 1HH1 ARG 14 2HH1 ARG 14 10.073 18.845 0.395
86 2HH1 ARG 14 1HH1 ARG 14 8.465 19.389 0.701
87 1HH2 ARG 14 1HH2 ARG 14 8.666 21.526 -2.160
88 2HH2 ARG 14 2HH2 ARG 14 7.571 20.999 -0.938
89 H GLY 15 H GLY 15 7.878 15.441 -2.870
90 1HA GLY 15 2HA GLY 15 5.728 16.169 -3.854
91 2HA GLY 15 1HA GLY 15 6.398 15.829 -5.456
92 H ASN 16 H ASN 16 7.225 13.585 -3.127
93 HA ASN 16 HA ASN 16 6.076 11.377 -4.429
94 1HB ASN 16 2HB ASN 16 6.337 10.218 -2.146
95 2HB ASN 16 1HB ASN 16 7.772 10.933 -2.832
96 1HD2 ASN 16 2HD2 ASN 16 6.469 12.303 0.686
97 2HD2 ASN 16 1HD2 ASN 16 5.811 10.897 -0.002
98 H THR 17 H THR 17 4.195 10.589 -4.507
99 HA THR 17 HA THR 17 2.043 11.755 -2.863
100 HB THR 17 HB THR 17 1.676 10.137 -5.435
101 HG1 THR 17 HG1 THR 17 3.039 12.492 -5.052
102 1HG2 THR 17 1HG2 THR 17 0.193 12.591 -4.308
103 2HG2 THR 17 3HG2 THR 17 -0.237 11.668 -5.737
104 3HG2 THR 17 2HG2 THR 17 -0.411 10.943 -4.146
105 H LEU 18 H LEU 18 1.068 10.577 -1.414
106 HA LEU 18 HA LEU 18 1.694 7.708 -1.005
107 1HB LEU 18 2HB LEU 18 0.382 9.948 0.609
108 2HB LEU 18 1HB LEU 18 0.219 8.303 1.122
109 HG LEU 18 HG LEU 18 2.700 8.093 1.084
110 1HD1 LEU 18 2HD1 LEU 18 2.684 11.112 0.649
111 2HD1 LEU 18 1HD1 LEU 18 4.095 10.178 1.102
112 3HD1 LEU 18 3HD1 LEU 18 3.348 9.918 -0.452
113 1HD2 LEU 18 2HD2 LEU 18 1.518 8.617 3.240
114 2HD2 LEU 18 1HD2 LEU 18 3.066 9.436 3.219
115 3HD2 LEU 18 3HD2 LEU 18 1.594 10.335 2.887
116 H SER 19 H SER 19 0.717 7.722 -3.015
117 HA SER 19 HA SER 19 -2.115 7.793 -3.442
118 1HB SER 19 2HB SER 19 -0.379 7.937 -5.205
119 2HB SER 19 1HB SER 19 0.093 6.272 -4.867
120 HG SER 19 HG SER 19 -1.229 6.405 -6.549
121 H GLY 20 H GLY 20 0.106 5.054 -2.802
122 1HA GLY 20 2HA GLY 20 -2.161 3.308 -2.522
123 2HA GLY 20 1HA GLY 20 -0.485 2.803 -2.416
124 H THR 21 H THR 21 -0.993 1.558 -0.436
125 HA THR 21 HA THR 21 -0.814 3.183 1.904
126 HB THR 21 HB THR 21 -2.877 0.960 1.730
127 HG1 THR 21 HG1 THR 21 -3.016 3.539 0.860
128 1HG2 THR 21 2HG2 THR 21 -2.489 3.242 3.734
129 2HG2 THR 21 1HG2 THR 21 -3.713 1.983 3.831
130 3HG2 THR 21 3HG2 THR 21 -2.023 1.579 4.049
131 H LEU 22 H LEU 22 0.117 1.972 3.406
132 HA LEU 22 HA LEU 22 1.379 -0.567 2.466
133 1HB LEU 22 2HB LEU 22 2.990 0.997 2.752
134 2HB LEU 22 1HB LEU 22 2.407 1.644 4.276
135 HG LEU 22 HG LEU 22 3.257 -1.275 4.201
136 1HD1 LEU 22 2HD1 LEU 22 5.285 1.010 4.071
137 2HD1 LEU 22 1HD1 LEU 22 5.669 -0.684 4.335
138 3HD1 LEU 22 3HD1 LEU 22 5.006 -0.171 2.800
139 1HD2 LEU 22 3HD2 LEU 22 3.826 1.066 6.078
140 2HD2 LEU 22 2HD2 LEU 22 2.518 -0.091 6.282
141 3HD2 LEU 22 1HD2 LEU 22 4.194 -0.618 6.398
142 H TRP 23 H TRP 23 1.281 -2.230 3.581
143 HA TRP 23 HA TRP 23 -0.469 -2.314 5.969
144 1HB TRP 23 2HB TRP 23 -0.030 -4.179 3.608
145 2HB TRP 23 1HB TRP 23 -0.768 -4.795 5.091
146 HD1 TRP 23 HD1 TRP 23 -1.612 -2.446 2.064
147 HE1 TRP 23 HE1 TRP 23 -3.951 -1.669 2.460
148 HE3 TRP 23 HE3 TRP 23 -2.351 -4.233 6.735
149 HZ2 TRP 23 HZ2 TRP 23 -5.976 -1.685 4.494
150 HZ3 TRP 23 HZ3 TRP 23 -4.483 -3.810 7.902
151 HH2 TRP 23 HH2 TRP 23 -6.294 -2.543 6.785
152 H LEU 24 H LEU 24 0.254 -2.964 7.711
153 HA LEU 24 HA LEU 24 3.055 -3.757 8.077
154 1HB LEU 24 2HB LEU 24 1.019 -3.473 10.336
155 2HB LEU 24 1HB LEU 24 2.729 -3.132 10.369
156 HG LEU 24 HG LEU 24 0.749 -1.499 8.727
157 1HD1 LEU 24 3HD1 LEU 24 0.279 -1.235 11.163
158 2HD1 LEU 24 2HD1 LEU 24 1.965 -0.846 11.447
159 3HD1 LEU 24 1HD1 LEU 24 0.965 0.236 10.499
160 1HD2 LEU 24 1HD2 LEU 24 3.147 -1.451 7.991
161 2HD2 LEU 24 3HD2 LEU 24 2.672 0.112 8.627
162 3HD2 LEU 24 2HD2 LEU 24 3.641 -0.977 9.599
163 H TYR 25 H TYR 25 0.093 -5.007 7.847
164 HA TYR 25 HA TYR 25 0.107 -7.344 9.486
165 1HB TYR 25 2HB TYR 25 -1.148 -6.856 6.742
166 2HB TYR 25 1HB TYR 25 -1.430 -8.310 7.583
167 HD1 TYR 25 HD2 TYR 25 -1.311 -5.930 10.210
168 HD2 TYR 25 HD1 TYR 25 -3.795 -7.307 7.033
169 HE1 TYR 25 HE2 TYR 25 -3.269 -5.106 11.377
170 HE2 TYR 25 HE1 TYR 25 -5.766 -6.471 8.211
171 HH TYR 25 HH TYR 25 -5.485 -4.688 11.279
172 HA PRO 26 HA PRO 26 3.417 -9.424 8.185
173 1HB PRO 26 2HB PRO 26 2.895 -12.100 8.601
174 2HB PRO 26 1HB PRO 26 2.939 -10.944 9.936
175 1HG PRO 26 2HG PRO 26 0.483 -11.884 8.345
176 2HG PRO 26 1HG PRO 26 0.690 -11.881 10.097
177 1HD PRO 26 2HD PRO 26 -0.598 -9.818 8.885
178 2HD PRO 26 1HD PRO 26 0.513 -9.479 10.231
179 H SER 27 H SER 27 0.788 -9.873 6.343
180 HA SER 27 HA SER 27 2.402 -11.077 4.105
181 1HB SER 27 2HB SER 27 0.197 -11.894 3.240
182 2HB SER 27 1HB SER 27 0.648 -12.648 4.781
183 HG SER 27 HG SER 27 -1.406 -10.877 4.272
184 H GLY 28 H GLY 28 1.319 -8.306 5.182
185 1HA GLY 28 2HA GLY 28 1.137 -6.239 4.149
186 2HA GLY 28 1HA GLY 28 1.399 -7.069 2.624
187 H CYS 29 H CYS 29 0.013 -6.823 1.347
188 HA CYS 29 HA CYS 29 -2.313 -5.554 1.444
189 1HB CYS 29 2HB CYS 29 -0.919 -6.661 -0.551
190 2HB CYS 29 1HB CYS 29 -2.272 -7.759 -0.526
191 HA PRO 30 HA PRO 30 -4.905 -8.599 3.586
192 1HB PRO 30 2HB PRO 30 -6.760 -6.851 4.507
193 2HB PRO 30 1HB PRO 30 -5.154 -7.021 5.224
194 1HG PRO 30 2HG PRO 30 -6.106 -4.802 3.345
195 2HG PRO 30 1HG PRO 30 -4.998 -4.765 4.699
196 1HD PRO 30 2HD PRO 30 -4.329 -4.975 1.985
197 2HD PRO 30 1HD PRO 30 -3.222 -5.266 3.361
198 H SER 31 H SER 31 -6.479 -9.693 2.808
199 HA SER 31 HA SER 31 -7.475 -9.601 0.258
200 1HB SER 31 2HB SER 31 -9.043 -10.748 2.670
201 2HB SER 31 1HB SER 31 -9.080 -11.371 1.008
202 HG SER 31 HG SER 31 -7.366 -12.478 1.572
203 H GLY 32 H GLY 32 -8.277 -8.032 -0.531
204 1HA GLY 32 2HA GLY 32 -10.644 -6.985 -0.865
205 2HA GLY 32 1HA GLY 32 -10.291 -6.288 0.735
206 H TRP 33 H TRP 33 -7.311 -6.733 -0.532
207 HA TRP 33 HA TRP 33 -7.113 -4.157 -1.872
208 1HB TRP 33 2HB TRP 33 -5.273 -5.654 0.126
209 2HB TRP 33 1HB TRP 33 -4.727 -4.282 -0.801
210 HD1 TRP 33 HD1 TRP 33 -7.832 -4.971 1.504
211 HE1 TRP 33 HE1 TRP 33 -8.170 -2.740 2.628
212 HE3 TRP 33 HE3 TRP 33 -4.082 -2.357 -0.565
213 HZ2 TRP 33 HZ2 TRP 33 -7.003 -0.086 2.677
214 HZ3 TRP 33 HZ3 TRP 33 -3.639 -0.033 0.013
215 HH2 TRP 33 HH2 TRP 33 -5.066 1.131 1.618
216 H HIS 34 H HIS 34 -4.676 -4.626 -2.867
217 HA HIS 34 HA HIS 34 -4.696 -7.141 -4.275
218 1HB HIS 34 2HB HIS 34 -4.792 -4.412 -5.593
219 2HB HIS 34 1HB HIS 34 -4.563 -5.912 -6.488
220 HD1 HIS 34 HD1 HIS 34 -7.243 -3.815 -5.150
221 HD2 HIS 34 HD2 HIS 34 -6.810 -7.765 -6.128
222 HE1 HIS 34 HE1 HIS 34 -9.504 -4.734 -5.335
223 H ASN 35 H ASN 35 -2.899 -4.642 -5.571
224 HA ASN 35 HA ASN 35 -0.448 -5.011 -4.064
225 1HB ASN 35 2HB ASN 35 0.913 -6.045 -5.885
226 2HB ASN 35 1HB ASN 35 -0.422 -7.103 -5.524
227 1HD2 ASN 35 2HD2 ASN 35 -0.502 -5.092 -9.080
228 2HD2 ASN 35 1HD2 ASN 35 0.299 -4.349 -7.784
229 H CYS 36 H CYS 36 1.148 -3.456 -4.763
230 HA CYS 36 HA CYS 36 0.359 -1.614 -6.978
231 1HB CYS 36 2HB CYS 36 -0.204 0.198 -5.733
232 2HB CYS 36 1HB CYS 36 -0.574 -0.972 -4.509
233 H LYS 37 H LYS 37 2.626 -2.550 -4.566
234 HA LYS 37 HA LYS 37 4.829 -1.317 -6.032
235 1HB LYS 37 2HB LYS 37 4.152 -1.685 -3.183
236 2HB LYS 37 1HB LYS 37 5.855 -1.673 -3.460
237 1HG LYS 37 2HG LYS 37 3.934 0.418 -4.471
238 2HG LYS 37 1HG LYS 37 4.838 0.670 -3.000
239 1HD LYS 37 2HD LYS 37 6.412 -0.146 -5.409
240 2HD LYS 37 1HD LYS 37 5.847 1.506 -5.379
241 1HE LYS 37 2HE LYS 37 7.063 1.841 -3.242
242 2HE LYS 37 1HE LYS 37 7.449 0.129 -3.166
243 1HZ LYS 37 2HZ LYS 37 8.204 1.073 -5.695
244 2HZ LYS 37 1HZ LYS 37 8.835 2.155 -4.546
245 3HZ LYS 37 3HZ LYS 37 9.201 0.500 -4.444
246 H ALA 38 H ALA 38 5.291 -2.928 -7.316
247 HA ALA 38 HA ALA 38 5.632 -5.701 -6.379
248 1HB ALA 38 1HB ALA 38 4.909 -5.202 -8.751
249 2HB ALA 38 3HB ALA 38 6.444 -4.395 -9.030
250 3HB ALA 38 2HB ALA 38 6.407 -6.128 -8.743
251 H HIS 39 H HIS 39 7.097 -3.970 -4.893
252 HA HIS 39 HA HIS 39 9.881 -4.857 -5.363
253 1HB HIS 39 2HB HIS 39 9.090 -2.006 -4.646
254 2HB HIS 39 1HB HIS 39 10.735 -2.620 -4.656
255 HD1 HIS 39 HD1 HIS 39 11.856 -2.651 -6.927
256 HD2 HIS 39 HD2 HIS 39 7.862 -1.859 -7.309
257 HE1 HIS 39 HE1 HIS 39 11.481 -2.004 -9.288
258 H GLY 40 H GLY 40 7.414 -3.796 -3.002
259 1HA GLY 40 2HA GLY 40 7.827 -5.319 -0.941
260 2HA GLY 40 1HA GLY 40 9.319 -4.456 -0.841
261 HA PRO 41 HA PRO 41 10.122 -2.680 -0.467
262 1HB PRO 41 2HB PRO 41 10.919 -0.835 1.394
263 2HB PRO 41 1HB PRO 41 9.878 -0.322 0.070
264 1HG PRO 41 2HG PRO 41 9.030 -1.129 2.916
265 2HG PRO 41 1HG PRO 41 8.546 0.293 2.002
266 1HD PRO 41 2HD PRO 41 7.054 -2.079 2.108
267 2HD PRO 41 1HD PRO 41 6.917 -0.910 0.779
268 H THR 42 H THR 42 11.864 -2.384 1.884
269 HA THR 42 HA THR 42 11.803 -5.154 2.759
270 HB THR 42 HB THR 42 13.988 -4.195 3.957
271 HG1 THR 42 HG1 THR 42 14.003 -2.086 3.783
272 1HG2 THR 42 3HG2 THR 42 13.710 -3.761 0.918
273 2HG2 THR 42 2HG2 THR 42 15.208 -4.032 1.792
274 3HG2 THR 42 1HG2 THR 42 14.044 -5.334 1.628
275 H ILE 43 H ILE 43 9.968 -2.760 3.658
276 HA ILE 43 HA ILE 43 9.777 -3.681 6.459
277 HB ILE 43 HB ILE 43 9.479 -1.234 7.205
278 1HG1 ILE 43 2HG1 ILE 43 9.287 -0.192 4.903
279 2HG1 ILE 43 1HG1 ILE 43 10.350 0.611 6.017
280 1HG2 ILE 43 2HG2 ILE 43 12.244 -2.137 6.323
281 2HG2 ILE 43 1HG2 ILE 43 11.933 -0.866 7.495
282 3HG2 ILE 43 3HG2 ILE 43 11.446 -2.518 7.834
283 1HD1 ILE 43 3HD1 ILE 43 11.336 -1.232 3.774
284 2HD1 ILE 43 2HD1 ILE 43 11.371 0.512 3.769
285 3HD1 ILE 43 1HD1 ILE 43 12.346 -0.376 4.918
286 H GLY 44 H GLY 44 7.766 -4.376 6.574
287 1HA GLY 44 2HA GLY 44 5.388 -4.422 6.402
288 2HA GLY 44 1HA GLY 44 5.452 -2.687 6.057
289 H TRP 45 H TRP 45 3.690 -3.638 4.399
290 HA TRP 45 HA TRP 45 5.173 -4.286 1.857
291 1HB TRP 45 2HB TRP 45 2.343 -5.137 2.419
292 2HB TRP 45 1HB TRP 45 3.368 -5.644 1.107
293 HD1 TRP 45 HD1 TRP 45 3.696 -5.949 5.062
294 HE1 TRP 45 HE1 TRP 45 4.285 -8.351 5.427
295 HE3 TRP 45 HE3 TRP 45 3.826 -7.583 0.302
296 HZ2 TRP 45 HZ2 TRP 45 4.753 -10.794 3.945
297 HZ3 TRP 45 HZ3 TRP 45 4.346 -9.933 -0.231
298 HH2 TRP 45 HH2 TRP 45 4.814 -11.538 1.591
299 H CYS 46 H CYS 46 4.656 -2.921 0.169
300 HA CYS 46 HA CYS 46 2.597 -0.838 0.725
301 1HB CYS 46 2HB CYS 46 4.919 -1.134 -1.189
302 2HB CYS 46 1HB CYS 46 3.753 0.117 -1.480
303 H CYS 47 H CYS 47 0.651 -0.983 -0.109
304 HA CYS 47 HA CYS 47 0.262 -2.242 -2.723
305 1HB CYS 47 2HB CYS 47 0.045 -3.893 -0.681
306 2HB CYS 47 1HB CYS 47 -1.443 -3.053 -0.344
307 H LYS 48 H LYS 48 -2.393 -2.413 -2.845
308 HA LYS 48 HA LYS 48 -3.562 0.177 -2.071
309 1HB LYS 48 2HB LYS 48 -4.313 0.756 -4.419
310 2HB LYS 48 1HB LYS 48 -2.591 0.861 -4.260
311 1HG LYS 48 2HG LYS 48 -3.225 -0.058 -6.445
312 2HG LYS 48 1HG LYS 48 -2.245 -1.177 -5.570
313 1HD LYS 48 2HD LYS 48 -3.665 -2.769 -6.114
314 2HD LYS 48 1HD LYS 48 -4.858 -2.153 -5.023
315 1HE LYS 48 2HE LYS 48 -4.671 -1.466 -7.962
316 2HE LYS 48 1HE LYS 48 -5.835 -2.527 -7.179
317 1HZ LYS 48 2HZ LYS 48 -5.915 -0.120 -5.789
318 2HZ LYS 48 1HZ LYS 48 -6.049 0.275 -7.435
319 3HZ LYS 48 3HZ LYS 48 -7.093 -0.814 -6.597
320 H GLN 49 H GLN 49 -5.861 0.260 -2.843
321 HA GLN 49 HA GLN 49 -7.007 -2.347 -2.686
322 1HB GLN 49 2HB GLN 49 -7.351 0.111 -1.184
323 2HB GLN 49 1HB GLN 49 -8.629 0.175 -2.406
324 1HG GLN 49 2HG GLN 49 -8.916 -2.237 -1.952
325 2HG GLN 49 1HG GLN 49 -7.907 -1.949 -0.531
326 1HE2 GLN 49 2HE2 GLN 49 -11.347 -1.986 0.619
327 2HE2 GLN 49 1HE2 GLN 49 -10.278 -3.076 -0.161
No H/Q in entry = 327
Start of MODEL 8
Raw file had 333 H/Q atoms
Start of MODEL 8
1 1H GLY 1 1H GLY 1 -1.842 5.994 10.594
2 2H GLY 1 3H GLY 1 -3.521 5.787 10.491
3 3H GLY 1 2H GLY 1 -2.591 4.704 11.416
4 1HA GLY 1 2HA GLY 1 -2.261 3.403 9.629
5 2HA GLY 1 1HA GLY 1 -3.215 4.548 8.660
6 H VAL 2 H VAL 2 -1.025 3.449 7.367
7 HA VAL 2 HA VAL 2 0.809 5.768 7.194
8 HB VAL 2 HB VAL 2 1.784 2.929 6.971
9 1HG1 VAL 2 2HG1 VAL 2 3.307 5.520 7.395
10 2HG1 VAL 2 1HG1 VAL 2 4.031 3.927 7.321
11 3HG1 VAL 2 3HG1 VAL 2 3.215 4.574 5.915
12 1HG2 VAL 2 2HG2 VAL 2 1.923 4.655 9.505
13 2HG2 VAL 2 1HG2 VAL 2 1.009 3.164 9.342
14 3HG2 VAL 2 3HG2 VAL 2 2.756 3.121 9.307
15 H SER 3 H SER 3 1.138 6.281 5.173
16 HA SER 3 HA SER 3 -0.167 4.751 3.039
17 1HB SER 3 2HB SER 3 0.980 7.556 3.134
18 2HB SER 3 1HB SER 3 0.513 6.840 1.608
19 HG SER 3 HG SER 3 -1.517 6.948 2.220
20 H CYS 4 H CYS 4 1.106 5.086 0.841
21 HA CYS 4 HA CYS 4 3.970 4.763 0.958
22 1HB CYS 4 2HB CYS 4 3.240 2.459 1.599
23 2HB CYS 4 1HB CYS 4 2.281 2.349 0.134
24 H LEU 5 H LEU 5 4.768 4.188 -1.230
25 HA LEU 5 HA LEU 5 3.140 5.579 -3.279
26 1HB LEU 5 2HB LEU 5 6.081 5.379 -2.662
27 2HB LEU 5 1HB LEU 5 5.633 5.460 -4.345
28 HG LEU 5 HG LEU 5 4.503 7.461 -2.346
29 1HD1 LEU 5 2HD1 LEU 5 7.048 7.712 -4.041
30 2HD1 LEU 5 1HD1 LEU 5 6.342 8.999 -3.073
31 3HD1 LEU 5 3HD1 LEU 5 7.029 7.584 -2.286
32 1HD2 LEU 5 3HD2 LEU 5 5.016 7.518 -5.344
33 2HD2 LEU 5 2HD2 LEU 5 3.449 7.258 -4.609
34 3HD2 LEU 5 1HD2 LEU 5 4.245 8.796 -4.421
35 H CYS 6 H CYS 6 2.652 4.659 -5.084
36 HA CYS 6 HA CYS 6 3.085 1.751 -5.372
37 1HB CYS 6 2HB CYS 6 1.461 3.681 -7.081
38 2HB CYS 6 1HB CYS 6 1.336 1.935 -7.119
39 H ASP 7 H ASP 7 3.696 0.909 -7.501
40 HA ASP 7 HA ASP 7 6.140 2.074 -8.399
41 1HB ASP 7 2HB ASP 7 6.136 0.257 -10.052
42 2HB ASP 7 1HB ASP 7 5.501 -0.420 -8.567
43 H SER 8 H SER 8 2.949 2.179 -9.426
44 HA SER 8 HA SER 8 3.388 3.706 -11.886
45 1HB SER 8 2HB SER 8 0.851 3.087 -10.324
46 2HB SER 8 1HB SER 8 0.838 4.071 -11.797
47 HG SER 8 HG SER 8 1.337 2.357 -12.949
48 H ASP 9 H ASP 9 3.645 4.759 -8.734
49 HA ASP 9 HA ASP 9 2.426 7.419 -9.274
50 1HB ASP 9 2HB ASP 9 3.823 6.266 -6.796
51 2HB ASP 9 1HB ASP 9 3.454 7.972 -6.960
52 H GLY 10 H GLY 10 3.965 9.281 -8.497
53 1HA GLY 10 2HA GLY 10 6.186 9.239 -10.377
54 2HA GLY 10 1HA GLY 10 5.817 10.570 -9.266
55 HA PRO 11 HA PRO 11 9.517 8.268 -7.453
56 1HB PRO 11 2HB PRO 11 11.371 10.269 -7.899
57 2HB PRO 11 1HB PRO 11 11.135 8.925 -9.012
58 1HG PRO 11 2HG PRO 11 9.894 11.719 -9.156
59 2HG PRO 11 1HG PRO 11 10.736 10.833 -10.435
60 1HD PRO 11 2HD PRO 11 8.022 10.822 -10.326
61 2HD PRO 11 1HD PRO 11 8.872 9.322 -10.757
62 H SER 12 H SER 12 10.948 9.850 -5.721
63 HA SER 12 HA SER 12 8.731 10.890 -4.085
64 1HB SER 12 2HB SER 12 10.947 11.240 -2.559
65 2HB SER 12 1HB SER 12 10.079 9.694 -2.684
66 HG SER 12 HG SER 12 11.896 8.980 -3.541
67 H VAL 13 H VAL 13 8.110 12.726 -4.704
68 HA VAL 13 HA VAL 13 9.720 15.095 -4.267
69 HB VAL 13 HB VAL 13 10.525 14.499 -6.520
70 1HG1 VAL 13 1HG1 VAL 13 8.632 13.022 -7.204
71 2HG1 VAL 13 3HG1 VAL 13 7.583 14.419 -7.366
72 3HG1 VAL 13 2HG1 VAL 13 8.954 14.215 -8.446
73 1HG2 VAL 13 1HG2 VAL 13 10.145 16.935 -6.189
74 2HG2 VAL 13 3HG2 VAL 13 9.877 16.469 -7.855
75 3HG2 VAL 13 2HG2 VAL 13 8.502 16.770 -6.814
76 H ARG 14 H ARG 14 8.353 17.059 -4.596
77 HA ARG 14 HA ARG 14 5.705 16.584 -3.520
78 1HB ARG 14 2HB ARG 14 6.789 19.147 -4.815
79 2HB ARG 14 1HB ARG 14 5.375 19.045 -3.787
80 1HG ARG 14 2HG ARG 14 6.934 18.159 -1.922
81 2HG ARG 14 1HG ARG 14 8.274 18.574 -2.965
82 1HD ARG 14 2HD ARG 14 7.869 20.448 -1.427
83 2HD ARG 14 1HD ARG 14 7.474 20.962 -3.063
84 HE ARG 14 HE ARG 14 5.274 19.900 -1.325
85 1HH1 ARG 14 1HH2 ARG 14 4.170 21.000 -3.550
86 2HH1 ARG 14 2HH2 ARG 14 3.925 22.677 -3.264
87 1HH2 ARG 14 2HH1 ARG 14 6.285 22.598 -0.597
88 2HH2 ARG 14 1HH1 ARG 14 5.235 23.674 -1.435
89 H GLY 15 H GLY 15 3.704 17.502 -4.662
90 1HA GLY 15 2HA GLY 15 2.387 17.709 -6.665
91 2HA GLY 15 1HA GLY 15 3.836 17.335 -7.622
92 H ASN 16 H ASN 16 4.698 15.054 -6.318
93 HA ASN 16 HA ASN 16 2.910 13.060 -7.419
94 1HB ASN 16 2HB ASN 16 5.451 12.822 -7.388
95 2HB ASN 16 1HB ASN 16 5.369 12.660 -5.638
96 1HD2 ASN 16 2HD2 ASN 16 5.195 9.173 -6.402
97 2HD2 ASN 16 1HD2 ASN 16 6.197 10.416 -5.832
98 H THR 17 H THR 17 2.189 11.179 -6.027
99 HA THR 17 HA THR 17 1.691 11.901 -3.228
100 HB THR 17 HB THR 17 -0.588 11.182 -5.182
101 HG1 THR 17 HG1 THR 17 -0.181 13.216 -5.560
102 1HG2 THR 17 1HG2 THR 17 -0.713 12.278 -2.306
103 2HG2 THR 17 3HG2 THR 17 -2.075 11.906 -3.342
104 3HG2 THR 17 2HG2 THR 17 -1.111 10.598 -2.708
105 H LEU 18 H LEU 18 0.676 10.183 -1.994
106 HA LEU 18 HA LEU 18 1.842 7.571 -2.677
107 1HB LEU 18 2HB LEU 18 0.526 8.792 -0.197
108 2HB LEU 18 1HB LEU 18 0.843 7.076 -0.338
109 HG LEU 18 HG LEU 18 3.067 7.398 -0.676
110 1HD1 LEU 18 1HD1 LEU 18 2.682 10.435 -0.410
111 2HD1 LEU 18 3HD1 LEU 18 4.266 9.689 -0.431
112 3HD1 LEU 18 2HD1 LEU 18 3.259 9.603 -1.846
113 1HD2 LEU 18 2HD2 LEU 18 2.234 8.924 1.778
114 2HD2 LEU 18 1HD2 LEU 18 2.620 7.203 1.635
115 3HD2 LEU 18 3HD2 LEU 18 3.884 8.388 1.496
116 H SER 19 H SER 19 0.443 7.045 -4.408
117 HA SER 19 HA SER 19 -2.454 7.021 -3.885
118 1HB SER 19 2HB SER 19 -0.848 5.990 -6.280
119 2HB SER 19 1HB SER 19 -2.597 6.234 -6.239
120 HG SER 19 HG SER 19 -0.621 8.029 -6.474
121 H GLY 20 H GLY 20 -0.645 5.334 -2.269
122 1HA GLY 20 2HA GLY 20 -2.136 2.886 -2.359
123 2HA GLY 20 1HA GLY 20 -0.386 2.726 -2.404
124 H THR 21 H THR 21 -0.771 1.492 -0.196
125 HA THR 21 HA THR 21 -0.546 3.247 2.009
126 HB THR 21 HB THR 21 -2.610 0.956 1.956
127 HG1 THR 21 HG1 THR 21 -2.898 3.524 1.293
128 1HG2 THR 21 3HG2 THR 21 -2.115 2.971 4.191
129 2HG2 THR 21 2HG2 THR 21 -3.314 1.698 4.180
130 3HG2 THR 21 1HG2 THR 21 -1.624 1.286 4.267
131 H LEU 22 H LEU 22 0.249 1.975 3.712
132 HA LEU 22 HA LEU 22 1.716 -0.434 2.717
133 1HB LEU 22 2HB LEU 22 3.362 1.003 3.135
134 2HB LEU 22 1HB LEU 22 2.634 1.837 4.501
135 HG LEU 22 HG LEU 22 3.435 -1.103 4.828
136 1HD1 LEU 22 3HD1 LEU 22 5.351 -0.149 3.522
137 2HD1 LEU 22 2HD1 LEU 22 5.530 1.114 4.729
138 3HD1 LEU 22 1HD1 LEU 22 5.816 -0.566 5.152
139 1HD2 LEU 22 2HD2 LEU 22 3.844 1.364 6.559
140 2HD2 LEU 22 1HD2 LEU 22 2.505 0.238 6.699
141 3HD2 LEU 22 3HD2 LEU 22 4.148 -0.299 7.028
142 H TRP 23 H TRP 23 1.568 -2.210 3.793
143 HA TRP 23 HA TRP 23 -0.246 -2.347 6.134
144 1HB TRP 23 2HB TRP 23 0.158 -4.130 3.712
145 2HB TRP 23 1HB TRP 23 -0.517 -4.843 5.180
146 HD1 TRP 23 HD1 TRP 23 -1.512 -2.456 2.281
147 HE1 TRP 23 HE1 TRP 23 -3.853 -1.693 2.816
148 HE3 TRP 23 HE3 TRP 23 -2.014 -4.324 6.927
149 HZ2 TRP 23 HZ2 TRP 23 -5.785 -1.802 4.949
150 HZ3 TRP 23 HZ3 TRP 23 -4.084 -3.979 8.217
151 HH2 TRP 23 HH2 TRP 23 -5.975 -2.719 7.221
152 H LEU 24 H LEU 24 0.364 -3.178 7.859
153 HA LEU 24 HA LEU 24 3.145 -3.998 8.284
154 1HB LEU 24 2HB LEU 24 1.055 -3.942 10.483
155 2HB LEU 24 1HB LEU 24 2.759 -3.585 10.582
156 HG LEU 24 HG LEU 24 0.715 -1.859 9.175
157 1HD1 LEU 24 1HD1 LEU 24 2.149 -1.452 11.851
158 2HD1 LEU 24 3HD1 LEU 24 1.085 -0.274 11.109
159 3HD1 LEU 24 2HD1 LEU 24 0.442 -1.809 11.655
160 1HD2 LEU 24 3HD2 LEU 24 3.666 -1.351 9.785
161 2HD2 LEU 24 2HD2 LEU 24 2.986 -1.649 8.198
162 3HD2 LEU 24 1HD2 LEU 24 2.576 -0.181 9.063
163 H TYR 25 H TYR 25 0.192 -5.230 7.862
164 HA TYR 25 HA TYR 25 0.161 -7.691 9.304
165 1HB TYR 25 2HB TYR 25 -1.068 -6.966 6.601
166 2HB TYR 25 1HB TYR 25 -1.345 -8.496 7.308
167 HD1 TYR 25 HD2 TYR 25 -1.234 -6.262 10.094
168 HD2 TYR 25 HD1 TYR 25 -3.720 -7.529 6.873
169 HE1 TYR 25 HE2 TYR 25 -3.202 -5.541 11.320
170 HE2 TYR 25 HE1 TYR 25 -5.698 -6.795 8.110
171 HH TYR 25 HH TYR 25 -5.462 -4.944 11.057
172 HA PRO 26 HA PRO 26 3.418 -9.788 7.882
173 1HB PRO 26 2HB PRO 26 2.763 -12.466 8.035
174 2HB PRO 26 1HB PRO 26 2.876 -11.440 9.468
175 1HG PRO 26 2HG PRO 26 0.362 -12.099 7.826
176 2HG PRO 26 1HG PRO 26 0.582 -12.267 9.569
177 1HD PRO 26 2HD PRO 26 -0.603 -10.043 8.570
178 2HD PRO 26 1HD PRO 26 0.546 -9.878 9.916
179 H SER 27 H SER 27 0.838 -9.935 5.922
180 HA SER 27 HA SER 27 2.518 -10.957 3.643
181 1HB SER 27 2HB SER 27 0.448 -11.838 2.632
182 2HB SER 27 1HB SER 27 0.763 -12.620 4.190
183 HG SER 27 HG SER 27 -1.320 -10.964 3.516
184 H GLY 28 H GLY 28 1.447 -8.287 4.887
185 1HA GLY 28 2HA GLY 28 1.165 -6.168 3.956
186 2HA GLY 28 1HA GLY 28 1.484 -6.892 2.394
187 H CYS 29 H CYS 29 0.058 -6.803 1.108
188 HA CYS 29 HA CYS 29 -2.290 -5.544 1.204
189 1HB CYS 29 2HB CYS 29 -0.930 -6.788 -0.768
190 2HB CYS 29 1HB CYS 29 -2.306 -7.858 -0.641
191 HA PRO 30 HA PRO 30 -4.858 -8.612 3.358
192 1HB PRO 30 2HB PRO 30 -6.658 -6.905 4.412
193 2HB PRO 30 1HB PRO 30 -5.036 -7.099 5.080
194 1HG PRO 30 2HG PRO 30 -6.064 -4.832 3.343
195 2HG PRO 30 1HG PRO 30 -4.928 -4.811 4.655
196 1HD PRO 30 2HD PRO 30 -4.333 -4.952 1.869
197 2HD PRO 30 1HD PRO 30 -3.160 -5.192 3.198
198 H SER 31 H SER 31 -6.805 -9.395 2.863
199 HA SER 31 HA SER 31 -7.678 -9.348 0.271
200 1HB SER 31 2HB SER 31 -9.437 -10.078 2.722
201 2HB SER 31 1HB SER 31 -9.473 -10.881 1.140
202 HG SER 31 HG SER 31 -7.955 -12.122 1.963
203 H GLY 32 H GLY 32 -8.530 -8.021 -0.735
204 1HA GLY 32 2HA GLY 32 -10.621 -6.671 -1.227
205 2HA GLY 32 1HA GLY 32 -10.379 -5.982 0.386
206 H TRP 33 H TRP 33 -7.327 -6.565 -0.831
207 HA TRP 33 HA TRP 33 -7.129 -3.878 -1.959
208 1HB TRP 33 2HB TRP 33 -5.257 -5.594 -0.196
209 2HB TRP 33 1HB TRP 33 -4.687 -4.131 -0.922
210 HD1 TRP 33 HD1 TRP 33 -7.788 -5.041 1.388
211 HE1 TRP 33 HE1 TRP 33 -8.010 -3.051 2.881
212 HE3 TRP 33 HE3 TRP 33 -4.054 -2.249 -0.348
213 HZ2 TRP 33 HZ2 TRP 33 -6.758 -0.445 3.370
214 HZ3 TRP 33 HZ3 TRP 33 -3.554 -0.051 0.573
215 HH2 TRP 33 HH2 TRP 33 -4.882 0.877 2.432
216 H HIS 34 H HIS 34 -4.948 -4.033 -3.069
217 HA HIS 34 HA HIS 34 -4.862 -6.245 -4.939
218 1HB HIS 34 2HB HIS 34 -4.992 -3.311 -5.629
219 2HB HIS 34 1HB HIS 34 -4.628 -4.535 -6.846
220 HD1 HIS 34 HD1 HIS 34 -6.987 -6.296 -5.086
221 HD2 HIS 34 HD2 HIS 34 -7.315 -2.892 -7.301
222 HE1 HIS 34 HE1 HIS 34 -9.360 -6.130 -5.760
223 H ASN 35 H ASN 35 -3.004 -3.612 -5.820
224 HA ASN 35 HA ASN 35 -0.555 -4.406 -4.526
225 1HB ASN 35 2HB ASN 35 0.626 -5.225 -6.678
226 2HB ASN 35 1HB ASN 35 -0.539 -6.324 -5.964
227 1HD2 ASN 35 2HD2 ASN 35 -1.710 -4.512 -9.429
228 2HD2 ASN 35 1HD2 ASN 35 -0.736 -3.597 -8.378
229 H CYS 36 H CYS 36 0.898 -2.922 -4.551
230 HA CYS 36 HA CYS 36 0.920 -0.837 -6.706
231 1HB CYS 36 2HB CYS 36 0.452 -0.480 -3.774
232 2HB CYS 36 1HB CYS 36 1.575 0.629 -4.476
233 H LYS 37 H LYS 37 2.654 -2.838 -4.528
234 HA LYS 37 HA LYS 37 5.149 -1.962 -5.741
235 1HB LYS 37 2HB LYS 37 4.432 -2.186 -2.846
236 2HB LYS 37 1HB LYS 37 6.088 -2.171 -3.262
237 1HG LYS 37 2HG LYS 37 4.070 0.077 -3.846
238 2HG LYS 37 1HG LYS 37 5.343 0.150 -2.655
239 1HD LYS 37 2HD LYS 37 5.889 -0.082 -5.618
240 2HD LYS 37 1HD LYS 37 5.897 1.390 -4.692
241 1HE LYS 37 2HE LYS 37 7.603 0.403 -3.128
242 2HE LYS 37 1HE LYS 37 7.689 -0.995 -4.199
243 1HZ LYS 37 1HZ LYS 37 7.891 1.338 -5.756
244 2HZ LYS 37 3HZ LYS 37 8.984 1.472 -4.482
245 3HZ LYS 37 2HZ LYS 37 9.051 0.116 -5.503
246 H ALA 38 H ALA 38 5.341 -3.780 -6.879
247 HA ALA 38 HA ALA 38 5.001 -6.441 -5.678
248 1HB ALA 38 2HB ALA 38 6.127 -5.602 -8.407
249 2HB ALA 38 1HB ALA 38 5.731 -7.249 -7.949
250 3HB ALA 38 3HB ALA 38 4.454 -6.046 -8.100
251 H HIS 39 H HIS 39 7.231 -4.271 -5.159
252 HA HIS 39 HA HIS 39 9.477 -6.243 -5.027
253 1HB HIS 39 2HB HIS 39 9.583 -3.244 -5.592
254 2HB HIS 39 1HB HIS 39 11.010 -4.193 -5.212
255 HD1 HIS 39 HD1 HIS 39 10.923 -6.516 -6.843
256 HD2 HIS 39 HD2 HIS 39 9.234 -3.106 -8.317
257 HE1 HIS 39 HE1 HIS 39 10.812 -6.795 -9.303
258 H GLY 40 H GLY 40 8.789 -3.109 -3.440
259 1HA GLY 40 2HA GLY 40 8.812 -4.213 -0.795
260 2HA GLY 40 1HA GLY 40 10.335 -3.417 -1.213
261 HA PRO 41 HA PRO 41 11.014 -1.589 -0.154
262 1HB PRO 41 2HB PRO 41 10.935 -0.284 2.210
263 2HB PRO 41 1HB PRO 41 10.658 0.597 0.704
264 1HG PRO 41 2HG PRO 41 8.546 -0.581 2.599
265 2HG PRO 41 1HG PRO 41 8.632 1.063 1.958
266 1HD PRO 41 2HD PRO 41 7.097 -0.915 0.760
267 2HD PRO 41 1HD PRO 41 7.813 0.385 -0.207
268 H THR 42 H THR 42 12.320 -2.531 1.516
269 HA THR 42 HA THR 42 11.347 -5.102 2.275
270 HB THR 42 HB THR 42 13.919 -4.343 3.544
271 HG1 THR 42 HG1 THR 42 14.782 -3.227 1.939
272 1HG2 THR 42 1HG2 THR 42 13.337 -6.628 2.511
273 2HG2 THR 42 3HG2 THR 42 13.375 -5.864 0.929
274 3HG2 THR 42 2HG2 THR 42 14.837 -5.959 1.897
275 H ILE 43 H ILE 43 9.827 -2.997 3.565
276 HA ILE 43 HA ILE 43 10.021 -4.005 6.322
277 HB ILE 43 HB ILE 43 11.545 -2.063 6.353
278 1HG1 ILE 43 2HG1 ILE 43 8.913 -1.331 7.721
279 2HG1 ILE 43 1HG1 ILE 43 10.058 -2.508 8.336
280 1HG2 ILE 43 2HG2 ILE 43 10.654 -0.803 4.414
281 2HG2 ILE 43 1HG2 ILE 43 9.225 -0.362 5.331
282 3HG2 ILE 43 3HG2 ILE 43 10.796 0.244 5.805
283 1HD1 ILE 43 2HD1 ILE 43 11.808 -0.729 8.499
284 2HD1 ILE 43 1HD1 ILE 43 10.647 0.460 7.920
285 3HD1 ILE 43 3HD1 ILE 43 10.385 -0.343 9.451
286 H GLY 44 H GLY 44 7.998 -4.614 6.739
287 1HA GLY 44 2HA GLY 44 5.607 -4.640 6.781
288 2HA GLY 44 1HA GLY 44 5.668 -2.894 6.448
289 H TRP 45 H TRP 45 3.901 -3.365 4.734
290 HA TRP 45 HA TRP 45 5.243 -4.287 2.218
291 1HB TRP 45 2HB TRP 45 2.433 -4.905 3.030
292 2HB TRP 45 1HB TRP 45 3.175 -5.408 1.532
293 HD1 TRP 45 HD1 TRP 45 3.509 -6.150 5.398
294 HE1 TRP 45 HE1 TRP 45 4.189 -8.556 5.511
295 HE3 TRP 45 HE3 TRP 45 4.125 -7.122 0.511
296 HZ2 TRP 45 HZ2 TRP 45 4.928 -10.758 3.753
297 HZ3 TRP 45 HZ3 TRP 45 4.815 -9.352 -0.286
298 HH2 TRP 45 HH2 TRP 45 5.223 -11.175 1.340
299 H CYS 46 H CYS 46 4.255 -3.404 0.349
300 HA CYS 46 HA CYS 46 2.666 -0.926 0.862
301 1HB CYS 46 2HB CYS 46 5.062 -1.522 -0.793
302 2HB CYS 46 1HB CYS 46 3.939 -0.336 -1.384
303 H CYS 47 H CYS 47 0.678 -1.147 0.076
304 HA CYS 47 HA CYS 47 0.242 -2.267 -2.599
305 1HB CYS 47 2HB CYS 47 0.092 -4.103 -0.693
306 2HB CYS 47 1HB CYS 47 -1.433 -3.347 -0.310
307 H LYS 48 H LYS 48 -2.465 -2.192 -2.716
308 HA LYS 48 HA LYS 48 -3.419 0.230 -1.329
309 1HB LYS 48 2HB LYS 48 -2.230 1.063 -3.398
310 2HB LYS 48 1HB LYS 48 -3.322 0.104 -4.374
311 1HG LYS 48 2HG LYS 48 -4.724 1.791 -2.304
312 2HG LYS 48 1HG LYS 48 -3.829 2.731 -3.442
313 1HD LYS 48 2HD LYS 48 -5.531 0.511 -4.550
314 2HD LYS 48 1HD LYS 48 -6.362 1.930 -3.973
315 1HE LYS 48 2HE LYS 48 -3.974 2.012 -5.874
316 2HE LYS 48 1HE LYS 48 -5.650 2.015 -6.419
317 1HZ LYS 48 3HZ LYS 48 -5.481 3.919 -4.405
318 2HZ LYS 48 2HZ LYS 48 -4.083 4.142 -5.334
319 3HZ LYS 48 1HZ LYS 48 -5.641 4.221 -6.077
320 H GLN 49 H GLN 49 -5.791 0.417 -1.514
321 HA GLN 49 HA GLN 49 -7.013 -2.043 -1.617
322 1HB GLN 49 2HB GLN 49 -7.435 0.425 -0.373
323 2HB GLN 49 1HB GLN 49 -8.620 0.486 -1.682
324 1HG GLN 49 2HG GLN 49 -9.146 -1.824 -1.148
325 2HG GLN 49 1HG GLN 49 -8.167 -1.665 0.305
326 1HE2 GLN 49 2HE2 GLN 49 -11.733 -0.956 1.236
327 2HE2 GLN 49 1HE2 GLN 49 -10.984 -2.282 0.473
No H/Q in entry = 327
Start of MODEL 9
Raw file had 333 H/Q atoms
Start of MODEL 9
1 1H GLY 1 2H GLY 1 -2.183 4.066 10.589
2 2H GLY 1 1H GLY 1 -3.820 3.713 10.304
3 3H GLY 1 3H GLY 1 -2.840 2.596 11.136
4 1HA GLY 1 2HA GLY 1 -2.261 1.636 9.201
5 2HA GLY 1 1HA GLY 1 -3.248 2.833 8.334
6 H VAL 2 H VAL 2 -1.090 2.351 6.924
7 HA VAL 2 HA VAL 2 0.727 4.637 7.400
8 HB VAL 2 HB VAL 2 1.604 1.871 6.487
9 1HG1 VAL 2 2HG1 VAL 2 3.103 3.711 5.733
10 2HG1 VAL 2 1HG1 VAL 2 3.263 4.275 7.388
11 3HG1 VAL 2 3HG1 VAL 2 3.918 2.718 6.919
12 1HG2 VAL 2 1HG2 VAL 2 1.877 3.018 9.288
13 2HG2 VAL 2 3HG2 VAL 2 0.918 1.624 8.818
14 3HG2 VAL 2 2HG2 VAL 2 2.662 1.553 8.725
15 H SER 3 H SER 3 1.452 5.505 5.385
16 HA SER 3 HA SER 3 -0.165 4.715 3.038
17 1HB SER 3 2HB SER 3 1.433 7.188 3.710
18 2HB SER 3 1HB SER 3 0.598 7.080 2.188
19 HG SER 3 HG SER 3 -1.194 7.427 3.258
20 H CYS 4 H CYS 4 1.046 5.279 0.918
21 HA CYS 4 HA CYS 4 3.855 4.900 0.697
22 1HB CYS 4 2HB CYS 4 3.121 2.548 1.450
23 2HB CYS 4 1HB CYS 4 2.269 2.421 -0.076
24 H LEU 5 H LEU 5 4.432 4.213 -1.569
25 HA LEU 5 HA LEU 5 2.565 5.387 -3.570
26 1HB LEU 5 2HB LEU 5 5.539 5.579 -3.090
27 2HB LEU 5 1HB LEU 5 5.033 5.497 -4.752
28 HG LEU 5 HG LEU 5 3.783 7.466 -2.775
29 1HD1 LEU 5 2HD1 LEU 5 6.168 7.911 -4.618
30 2HD1 LEU 5 1HD1 LEU 5 5.380 9.155 -3.652
31 3HD1 LEU 5 3HD1 LEU 5 6.247 7.844 -2.868
32 1HD2 LEU 5 2HD2 LEU 5 4.048 7.520 -5.816
33 2HD2 LEU 5 1HD2 LEU 5 2.578 7.126 -4.957
34 3HD2 LEU 5 3HD2 LEU 5 3.243 8.739 -4.838
35 H CYS 6 H CYS 6 2.964 4.390 -5.731
36 HA CYS 6 HA CYS 6 3.208 1.425 -5.362
37 1HB CYS 6 2HB CYS 6 2.041 3.062 -7.620
38 2HB CYS 6 1HB CYS 6 1.896 1.328 -7.464
39 H ASP 7 H ASP 7 4.130 0.214 -7.384
40 HA ASP 7 HA ASP 7 6.808 1.342 -7.876
41 1HB ASP 7 2HB ASP 7 5.469 -1.328 -8.224
42 2HB ASP 7 1HB ASP 7 6.735 -0.911 -9.364
43 H SER 8 H SER 8 4.287 2.276 -9.014
44 HA SER 8 HA SER 8 4.877 2.502 -11.911
45 1HB SER 8 2HB SER 8 2.438 3.377 -11.950
46 2HB SER 8 1HB SER 8 2.555 1.685 -11.428
47 HG SER 8 HG SER 8 1.885 3.950 -9.999
48 H ASP 9 H ASP 9 3.780 4.207 -9.106
49 HA ASP 9 HA ASP 9 4.414 6.855 -10.189
50 1HB ASP 9 2HB ASP 9 3.320 6.077 -7.450
51 2HB ASP 9 1HB ASP 9 3.340 7.687 -8.092
52 H GLY 10 H GLY 10 5.304 8.403 -8.531
53 1HA GLY 10 2HA GLY 10 7.028 8.093 -6.511
54 2HA GLY 10 1HA GLY 10 8.018 7.634 -7.912
55 HA PRO 11 HA PRO 11 6.701 11.934 -9.122
56 1HB PRO 11 2HB PRO 11 4.970 13.485 -7.760
57 2HB PRO 11 1HB PRO 11 4.379 12.084 -8.668
58 1HG PRO 11 2HG PRO 11 5.162 12.210 -5.719
59 2HG PRO 11 1HG PRO 11 3.606 11.671 -6.373
60 1HD PRO 11 2HD PRO 11 5.577 9.872 -5.762
61 2HD PRO 11 1HD PRO 11 4.566 9.610 -7.202
62 H SER 12 H SER 12 8.183 13.507 -9.051
63 HA SER 12 HA SER 12 9.665 13.971 -6.570
64 1HB SER 12 2HB SER 12 11.146 15.258 -8.393
65 2HB SER 12 1HB SER 12 11.044 13.496 -8.519
66 HG SER 12 HG SER 12 10.141 15.310 -10.269
67 H VAL 13 H VAL 13 10.380 16.268 -6.225
68 HA VAL 13 HA VAL 13 9.977 18.486 -5.729
69 HB VAL 13 HB VAL 13 7.834 18.320 -7.922
70 1HG1 VAL 13 1HG1 VAL 13 9.261 20.781 -6.850
71 2HG1 VAL 13 3HG1 VAL 13 8.210 20.728 -8.252
72 3HG1 VAL 13 2HG1 VAL 13 7.543 20.388 -6.682
73 1HG2 VAL 13 3HG2 VAL 13 10.794 19.049 -8.167
74 2HG2 VAL 13 2HG2 VAL 13 10.033 17.594 -8.785
75 3HG2 VAL 13 1HG2 VAL 13 9.605 19.147 -9.457
76 H ARG 14 H ARG 14 8.343 19.987 -4.917
77 HA ARG 14 HA ARG 14 6.852 18.817 -2.796
78 1HB ARG 14 2HB ARG 14 5.822 21.161 -2.596
79 2HB ARG 14 1HB ARG 14 7.570 21.134 -2.560
80 1HG ARG 14 2HG ARG 14 7.676 21.811 -4.938
81 2HG ARG 14 1HG ARG 14 5.940 21.684 -5.105
82 1HD ARG 14 2HD ARG 14 7.367 23.591 -3.195
83 2HD ARG 14 1HD ARG 14 6.822 24.039 -4.806
84 HE ARG 14 HE ARG 14 4.485 23.630 -4.068
85 1HH1 ARG 14 2HH1 ARG 14 3.939 22.249 -1.945
86 2HH1 ARG 14 1HH1 ARG 14 4.142 23.198 -0.523
87 1HH2 ARG 14 1HH2 ARG 14 6.123 25.557 -2.291
88 2HH2 ARG 14 2HH2 ARG 14 5.491 25.219 -0.729
89 H GLY 15 H GLY 15 4.673 18.392 -2.587
90 1HA GLY 15 2HA GLY 15 2.341 18.593 -3.458
91 2HA GLY 15 1HA GLY 15 3.016 18.518 -5.092
92 H ASN 16 H ASN 16 4.860 16.563 -3.440
93 HA ASN 16 HA ASN 16 4.170 14.137 -4.582
94 1HB ASN 16 2HB ASN 16 6.298 14.345 -3.442
95 2HB ASN 16 1HB ASN 16 5.491 14.661 -1.890
96 1HD2 ASN 16 2HD2 ASN 16 5.585 11.209 -1.217
97 2HD2 ASN 16 1HD2 ASN 16 5.810 12.776 -0.594
98 H THR 17 H THR 17 3.219 12.255 -3.806
99 HA THR 17 HA THR 17 1.319 12.407 -1.580
100 HB THR 17 HB THR 17 -0.526 11.517 -3.352
101 HG1 THR 17 HG1 THR 17 0.227 11.630 -5.352
102 1HG2 THR 17 2HG2 THR 17 0.468 14.415 -3.614
103 2HG2 THR 17 1HG2 THR 17 -1.135 13.823 -3.992
104 3HG2 THR 17 3HG2 THR 17 -0.590 13.872 -2.326
105 H LEU 18 H LEU 18 0.003 10.253 -1.484
106 HA LEU 18 HA LEU 18 1.866 7.939 -1.875
107 1HB LEU 18 2HB LEU 18 -0.319 8.314 0.232
108 2HB LEU 18 1HB LEU 18 0.767 6.949 0.108
109 HG LEU 18 HG LEU 18 2.176 9.423 0.077
110 1HD1 LEU 18 2HD1 LEU 18 0.539 9.145 2.620
111 2HD1 LEU 18 1HD1 LEU 18 1.908 10.215 2.437
112 3HD1 LEU 18 3HD1 LEU 18 0.482 10.444 1.455
113 1HD2 LEU 18 1HD2 LEU 18 2.673 7.126 1.928
114 2HD2 LEU 18 3HD2 LEU 18 3.482 7.572 0.451
115 3HD2 LEU 18 2HD2 LEU 18 3.616 8.590 1.860
116 H SER 19 H SER 19 1.113 7.055 -3.733
117 HA SER 19 HA SER 19 -1.763 7.001 -4.330
118 1HB SER 19 2HB SER 19 -1.017 5.704 -6.411
119 2HB SER 19 1HB SER 19 -0.298 7.302 -6.229
120 HG SER 19 HG SER 19 1.278 6.021 -6.617
121 H GLY 20 H GLY 20 0.126 4.973 -2.511
122 1HA GLY 20 2HA GLY 20 -1.797 2.829 -2.764
123 2HA GLY 20 1HA GLY 20 -0.075 2.449 -2.627
124 H THR 21 H THR 21 -0.682 1.366 -0.464
125 HA THR 21 HA THR 21 -0.505 3.219 1.677
126 HB THR 21 HB THR 21 -2.689 1.080 1.470
127 HG1 THR 21 HG1 THR 21 -2.551 3.729 0.690
128 1HG2 THR 21 3HG2 THR 21 -2.423 3.377 3.469
129 2HG2 THR 21 2HG2 THR 21 -3.692 2.169 3.441
130 3HG2 THR 21 1HG2 THR 21 -2.059 1.702 3.864
131 H LEU 22 H LEU 22 0.055 1.948 3.456
132 HA LEU 22 HA LEU 22 1.433 -0.587 2.692
133 1HB LEU 22 2HB LEU 22 3.026 1.065 3.056
134 2HB LEU 22 1HB LEU 22 2.374 1.624 4.581
135 HG LEU 22 HG LEU 22 3.443 -1.238 4.136
136 1HD1 LEU 22 2HD1 LEU 22 5.223 0.429 3.536
137 2HD1 LEU 22 1HD1 LEU 22 5.011 1.208 5.094
138 3HD1 LEU 22 3HD1 LEU 22 5.629 -0.433 4.999
139 1HD2 LEU 22 2HD2 LEU 22 2.154 -0.808 6.315
140 2HD2 LEU 22 1HD2 LEU 22 3.841 -1.178 6.544
141 3HD2 LEU 22 3HD2 LEU 22 3.288 0.477 6.658
142 H TRP 23 H TRP 23 1.332 -2.159 3.873
143 HA TRP 23 HA TRP 23 -0.462 -2.252 6.238
144 1HB TRP 23 2HB TRP 23 -0.165 -4.102 3.812
145 2HB TRP 23 1HB TRP 23 -0.978 -4.651 5.275
146 HD1 TRP 23 HD1 TRP 23 -1.634 -2.359 2.180
147 HE1 TRP 23 HE1 TRP 23 -3.933 -1.419 2.508
148 HE3 TRP 23 HE3 TRP 23 -2.503 -3.905 6.881
149 HZ2 TRP 23 HZ2 TRP 23 -5.987 -1.277 4.530
150 HZ3 TRP 23 HZ3 TRP 23 -4.630 -3.341 8.012
151 HH2 TRP 23 HH2 TRP 23 -6.364 -2.048 6.846
152 H LEU 24 H LEU 24 0.470 -3.026 7.992
153 HA LEU 24 HA LEU 24 3.251 -3.973 7.945
154 1HB LEU 24 2HB LEU 24 1.410 -3.689 10.369
155 2HB LEU 24 1HB LEU 24 3.154 -3.719 10.362
156 HG LEU 24 HG LEU 24 1.583 -1.595 8.931
157 1HD1 LEU 24 2HD1 LEU 24 2.701 -1.532 11.800
158 2HD1 LEU 24 1HD1 LEU 24 2.000 -0.146 10.989
159 3HD1 LEU 24 3HD1 LEU 24 0.997 -1.527 11.380
160 1HD2 LEU 24 3HD2 LEU 24 4.072 -1.901 8.389
161 2HD2 LEU 24 2HD2 LEU 24 3.797 -0.349 9.155
162 3HD2 LEU 24 1HD2 LEU 24 4.456 -1.686 10.076
163 H TYR 25 H TYR 25 0.189 -4.922 8.073
164 HA TYR 25 HA TYR 25 -0.078 -7.305 9.481
165 1HB TYR 25 2HB TYR 25 -1.143 -6.609 6.714
166 2HB TYR 25 1HB TYR 25 -1.658 -8.025 7.521
167 HD1 TYR 25 HD2 TYR 25 -1.170 -5.289 9.917
168 HD2 TYR 25 HD1 TYR 25 -3.901 -7.094 7.179
169 HE1 TYR 25 HE2 TYR 25 -3.047 -4.192 11.037
170 HE2 TYR 25 HE1 TYR 25 -5.761 -5.999 8.304
171 HH TYR 25 HH TYR 25 -6.342 -4.919 10.273
172 HA PRO 26 HA PRO 26 2.985 -9.767 8.253
173 1HB PRO 26 2HB PRO 26 2.112 -12.351 8.629
174 2HB PRO 26 1HB PRO 26 2.263 -11.226 9.980
175 1HG PRO 26 2HG PRO 26 -0.247 -11.823 8.305
176 2HG PRO 26 1HG PRO 26 -0.096 -11.861 10.062
177 1HD PRO 26 2HD PRO 26 -1.068 -9.642 8.846
178 2HD PRO 26 1HD PRO 26 0.045 -9.463 10.223
179 H SER 27 H SER 27 0.352 -9.857 6.372
180 HA SER 27 HA SER 27 1.869 -11.108 4.105
181 1HB SER 27 2HB SER 27 -0.287 -11.978 3.285
182 2HB SER 27 1HB SER 27 0.108 -12.677 4.867
183 HG SER 27 HG SER 27 -1.852 -10.825 4.210
184 H GLY 28 H GLY 28 1.300 -8.345 5.124
185 1HA GLY 28 2HA GLY 28 0.941 -6.257 4.189
186 2HA GLY 28 1HA GLY 28 1.139 -7.082 2.655
187 H CYS 29 H CYS 29 -0.241 -6.855 1.391
188 HA CYS 29 HA CYS 29 -2.488 -5.437 1.475
189 1HB CYS 29 2HB CYS 29 -1.183 -6.701 -0.502
190 2HB CYS 29 1HB CYS 29 -2.606 -7.707 -0.415
191 HA PRO 30 HA PRO 30 -5.129 -8.331 3.730
192 1HB PRO 30 2HB PRO 30 -6.976 -6.489 4.596
193 2HB PRO 30 1HB PRO 30 -5.410 -6.737 5.369
194 1HG PRO 30 2HG PRO 30 -6.219 -4.467 3.525
195 2HG PRO 30 1HG PRO 30 -5.076 -4.510 4.850
196 1HD PRO 30 2HD PRO 30 -4.479 -4.734 2.094
197 2HD PRO 30 1HD PRO 30 -3.348 -5.050 3.441
198 H SER 31 H SER 31 -6.769 -9.348 3.073
199 HA SER 31 HA SER 31 -7.663 -9.313 0.469
200 1HB SER 31 2HB SER 31 -9.611 -10.863 1.625
201 2HB SER 31 1HB SER 31 -7.930 -11.420 1.761
202 HG SER 31 HG SER 31 -9.247 -9.623 3.529
203 H GLY 32 H GLY 32 -8.410 -7.736 -0.313
204 1HA GLY 32 2HA GLY 32 -10.786 -6.721 -0.763
205 2HA GLY 32 1HA GLY 32 -10.459 -5.957 0.810
206 H TRP 33 H TRP 33 -7.416 -6.457 -0.398
207 HA TRP 33 HA TRP 33 -7.260 -3.886 -1.752
208 1HB TRP 33 2HB TRP 33 -5.441 -5.437 0.195
209 2HB TRP 33 1HB TRP 33 -4.827 -4.093 -0.729
210 HD1 TRP 33 HD1 TRP 33 -7.934 -4.629 1.634
211 HE1 TRP 33 HE1 TRP 33 -8.148 -2.385 2.770
212 HE3 TRP 33 HE3 TRP 33 -4.162 -2.207 -0.533
213 HZ2 TRP 33 HZ2 TRP 33 -6.829 0.275 2.791
214 HZ3 TRP 33 HZ3 TRP 33 -3.618 0.095 -0.033
215 HH2 TRP 33 HH2 TRP 33 -4.901 1.359 1.617
216 H HIS 34 H HIS 34 -4.957 -4.198 -2.832
217 HA HIS 34 HA HIS 34 -4.945 -6.585 -4.477
218 1HB HIS 34 2HB HIS 34 -4.874 -3.739 -5.499
219 2HB HIS 34 1HB HIS 34 -4.681 -5.140 -6.545
220 HD1 HIS 34 HD1 HIS 34 -7.155 -6.468 -4.646
221 HD2 HIS 34 HD2 HIS 34 -7.249 -3.190 -7.075
222 HE1 HIS 34 HE1 HIS 34 -9.517 -6.104 -5.245
223 H ASN 35 H ASN 35 -2.983 -4.109 -5.556
224 HA ASN 35 HA ASN 35 -0.546 -4.782 -4.127
225 1HB ASN 35 2HB ASN 35 0.695 -5.705 -6.159
226 2HB ASN 35 1HB ASN 35 -0.508 -6.791 -5.494
227 1HD2 ASN 35 2HD2 ASN 35 -1.516 -5.064 -9.048
228 2HD2 ASN 35 1HD2 ASN 35 -0.699 -4.056 -7.949
229 H CYS 36 H CYS 36 1.157 -3.349 -4.567
230 HA CYS 36 HA CYS 36 0.839 -1.467 -6.853
231 1HB CYS 36 2HB CYS 36 0.174 -0.738 -4.091
232 2HB CYS 36 1HB CYS 36 1.525 0.211 -4.641
233 H LYS 37 H LYS 37 2.777 -2.168 -3.904
234 HA LYS 37 HA LYS 37 5.129 -1.526 -5.518
235 1HB LYS 37 2HB LYS 37 4.656 -1.989 -2.610
236 2HB LYS 37 1HB LYS 37 6.255 -1.856 -3.166
237 1HG LYS 37 2HG LYS 37 4.162 0.326 -3.444
238 2HG LYS 37 1HG LYS 37 5.531 0.358 -2.350
239 1HD LYS 37 2HD LYS 37 5.752 0.396 -5.364
240 2HD LYS 37 1HD LYS 37 5.977 1.758 -4.279
241 1HE LYS 37 2HE LYS 37 7.876 0.461 -3.181
242 2HE LYS 37 1HE LYS 37 7.653 -0.788 -4.398
243 1HZ LYS 37 1HZ LYS 37 7.762 1.679 -5.708
244 2HZ LYS 37 3HZ LYS 37 9.111 1.585 -4.678
245 3HZ LYS 37 2HZ LYS 37 8.782 0.370 -5.837
246 H ALA 38 H ALA 38 5.728 -3.195 -6.676
247 HA ALA 38 HA ALA 38 5.512 -5.963 -5.604
248 1HB ALA 38 3HB ALA 38 4.728 -5.506 -7.991
249 2HB ALA 38 2HB ALA 38 6.352 -4.962 -8.373
250 3HB ALA 38 1HB ALA 38 6.075 -6.644 -7.958
251 H HIS 39 H HIS 39 7.565 -3.520 -5.382
252 HA HIS 39 HA HIS 39 9.936 -5.376 -5.291
253 1HB HIS 39 2HB HIS 39 9.944 -2.494 -6.318
254 2HB HIS 39 1HB HIS 39 11.317 -3.601 -6.330
255 HD1 HIS 39 HD1 HIS 39 9.551 -6.053 -7.423
256 HD2 HIS 39 HD2 HIS 39 9.631 -2.308 -9.049
257 HE1 HIS 39 HE1 HIS 39 8.867 -6.297 -9.790
258 H GLY 40 H GLY 40 9.916 -1.962 -4.456
259 1HA GLY 40 2HA GLY 40 11.066 -2.649 -1.820
260 2HA GLY 40 1HA GLY 40 10.901 -1.015 -2.475
261 HA PRO 41 HA PRO 41 11.072 -0.194 -0.414
262 1HB PRO 41 2HB PRO 41 10.395 0.972 1.844
263 2HB PRO 41 1HB PRO 41 9.626 1.515 0.347
264 1HG PRO 41 2HG PRO 41 8.520 -0.517 2.390
265 2HG PRO 41 1HG PRO 41 7.715 0.905 1.737
266 1HD PRO 41 2HD PRO 41 7.385 -1.630 0.628
267 2HD PRO 41 1HD PRO 41 7.244 -0.149 -0.336
268 H THR 42 H THR 42 10.511 -3.066 0.184
269 HA THR 42 HA THR 42 11.536 -4.762 1.344
270 HB THR 42 HB THR 42 13.316 -2.496 2.430
271 HG1 THR 42 HG1 THR 42 14.568 -3.859 0.656
272 1HG2 THR 42 1HG2 THR 42 13.907 -5.504 2.118
273 2HG2 THR 42 3HG2 THR 42 15.024 -4.302 2.758
274 3HG2 THR 42 2HG2 THR 42 13.603 -4.753 3.670
275 H ILE 43 H ILE 43 10.285 -2.136 3.163
276 HA ILE 43 HA ILE 43 10.053 -3.884 5.589
277 HB ILE 43 HB ILE 43 9.782 -0.843 5.341
278 1HG1 ILE 43 2HG1 ILE 43 12.013 -2.611 6.492
279 2HG1 ILE 43 1HG1 ILE 43 12.111 -1.670 5.023
280 1HG2 ILE 43 2HG2 ILE 43 9.767 -2.603 7.857
281 2HG2 ILE 43 1HG2 ILE 43 9.724 -0.849 7.846
282 3HG2 ILE 43 3HG2 ILE 43 8.377 -1.749 7.204
283 1HD1 ILE 43 2HD1 ILE 43 11.862 0.437 6.314
284 2HD1 ILE 43 1HD1 ILE 43 11.790 -0.477 7.815
285 3HD1 ILE 43 3HD1 ILE 43 13.251 -0.488 6.855
286 H GLY 44 H GLY 44 8.118 -4.459 6.368
287 1HA GLY 44 2HA GLY 44 5.788 -4.957 6.342
288 2HA GLY 44 1HA GLY 44 5.589 -3.225 6.034
289 H TRP 45 H TRP 45 3.822 -3.671 4.493
290 HA TRP 45 HA TRP 45 4.918 -4.590 1.864
291 1HB TRP 45 2HB TRP 45 2.125 -5.187 2.766
292 2HB TRP 45 1HB TRP 45 2.943 -5.824 1.366
293 HD1 TRP 45 HD1 TRP 45 3.524 -6.104 5.293
294 HE1 TRP 45 HE1 TRP 45 3.990 -8.536 5.675
295 HE3 TRP 45 HE3 TRP 45 3.359 -7.792 0.563
296 HZ2 TRP 45 HZ2 TRP 45 4.269 -11.025 4.186
297 HZ3 TRP 45 HZ3 TRP 45 3.717 -10.176 0.035
298 HH2 TRP 45 HH2 TRP 45 4.179 -11.788 1.847
299 H CYS 46 H CYS 46 4.504 -3.129 0.341
300 HA CYS 46 HA CYS 46 2.581 -0.922 0.854
301 1HB CYS 46 2HB CYS 46 5.053 -1.344 -0.733
302 2HB CYS 46 1HB CYS 46 3.912 -0.182 -1.338
303 H CYS 47 H CYS 47 0.657 -1.254 0.058
304 HA CYS 47 HA CYS 47 0.293 -2.452 -2.634
305 1HB CYS 47 2HB CYS 47 -0.098 -4.003 -0.599
306 2HB CYS 47 1HB CYS 47 -1.519 -3.039 -0.288
307 H LYS 48 H LYS 48 -2.468 -2.322 -2.703
308 HA LYS 48 HA LYS 48 -3.323 0.432 -2.054
309 1HB LYS 48 2HB LYS 48 -4.072 0.865 -4.421
310 2HB LYS 48 1HB LYS 48 -2.335 0.793 -4.309
311 1HG LYS 48 2HG LYS 48 -2.142 -1.231 -5.349
312 2HG LYS 48 1HG LYS 48 -3.696 -1.851 -4.884
313 1HD LYS 48 2HD LYS 48 -3.476 0.408 -6.912
314 2HD LYS 48 1HD LYS 48 -3.153 -1.237 -7.377
315 1HE LYS 48 2HE LYS 48 -5.489 -0.892 -7.901
316 2HE LYS 48 1HE LYS 48 -5.473 -1.877 -6.454
317 1HZ LYS 48 1HZ LYS 48 -5.528 0.790 -5.615
318 2HZ LYS 48 3HZ LYS 48 -6.742 0.593 -6.770
319 3HZ LYS 48 2HZ LYS 48 -6.699 -0.388 -5.440
320 H GLN 49 H GLN 49 -5.731 0.617 -2.227
321 HA GLN 49 HA GLN 49 -6.998 -1.914 -2.075
322 1HB GLN 49 2HB GLN 49 -7.026 0.247 -0.409
323 2HB GLN 49 1HB GLN 49 -8.115 0.912 -1.629
324 1HG GLN 49 2HG GLN 49 -9.312 -1.056 -1.621
325 2HG GLN 49 1HG GLN 49 -8.246 -1.726 -0.346
326 1HE2 GLN 49 2HE2 GLN 49 -10.921 -0.627 1.800
327 2HE2 GLN 49 1HE2 GLN 49 -10.339 -1.989 0.955
No H/Q in entry = 327
Start of MODEL 10
Raw file had 333 H/Q atoms
Start of MODEL 10
1 1H GLY 1 2H GLY 1 -0.560 5.086 10.639
2 2H GLY 1 1H GLY 1 -2.181 4.576 10.719
3 3H GLY 1 3H GLY 1 -0.963 3.679 11.494
4 1HA GLY 1 2HA GLY 1 -0.623 2.481 9.632
5 2HA GLY 1 1HA GLY 1 -1.869 3.449 8.814
6 H VAL 2 H VAL 2 -0.033 3.028 7.038
7 HA VAL 2 HA VAL 2 1.526 5.516 6.874
8 HB VAL 2 HB VAL 2 2.788 2.818 6.262
9 1HG1 VAL 2 3HG1 VAL 2 4.035 5.584 6.572
10 2HG1 VAL 2 2HG1 VAL 2 4.921 4.105 6.256
11 3HG1 VAL 2 1HG1 VAL 2 3.800 4.717 5.059
12 1HG2 VAL 2 2HG2 VAL 2 3.208 4.438 8.802
13 2HG2 VAL 2 1HG2 VAL 2 2.439 2.860 8.700
14 3HG2 VAL 2 3HG2 VAL 2 4.141 3.020 8.330
15 H SER 3 H SER 3 1.712 6.154 4.773
16 HA SER 3 HA SER 3 -0.008 4.840 2.779
17 1HB SER 3 2HB SER 3 1.490 7.438 2.866
18 2HB SER 3 1HB SER 3 0.784 6.972 1.344
19 HG SER 3 HG SER 3 -0.504 8.009 3.382
20 H CYS 4 H CYS 4 1.011 5.093 0.438
21 HA CYS 4 HA CYS 4 3.840 4.431 0.258
22 1HB CYS 4 2HB CYS 4 2.680 2.251 0.973
23 2HB CYS 4 1HB CYS 4 1.965 2.237 -0.627
24 H LEU 5 H LEU 5 4.640 4.373 -1.816
25 HA LEU 5 HA LEU 5 2.879 5.584 -3.875
26 1HB LEU 5 2HB LEU 5 5.813 5.623 -3.280
27 2HB LEU 5 1HB LEU 5 5.432 5.503 -4.981
28 HG LEU 5 HG LEU 5 4.127 7.610 -3.191
29 1HD1 LEU 5 2HD1 LEU 5 6.563 7.841 -5.036
30 2HD1 LEU 5 1HD1 LEU 5 5.800 9.171 -4.185
31 3HD1 LEU 5 3HD1 LEU 5 6.637 7.920 -3.275
32 1HD2 LEU 5 2HD2 LEU 5 3.009 7.052 -5.423
33 2HD2 LEU 5 1HD2 LEU 5 3.648 8.678 -5.380
34 3HD2 LEU 5 3HD2 LEU 5 4.518 7.416 -6.226
35 H CYS 6 H CYS 6 2.424 4.583 -5.763
36 HA CYS 6 HA CYS 6 2.964 1.689 -5.819
37 1HB CYS 6 2HB CYS 6 1.341 3.436 -7.707
38 2HB CYS 6 1HB CYS 6 1.313 1.694 -7.642
39 H ASP 7 H ASP 7 4.136 0.701 -7.522
40 HA ASP 7 HA ASP 7 6.351 2.179 -8.505
41 1HB ASP 7 2HB ASP 7 5.080 -0.431 -9.506
42 2HB ASP 7 1HB ASP 7 6.614 0.181 -10.108
43 H SER 8 H SER 8 3.303 1.707 -9.802
44 HA SER 8 HA SER 8 3.868 2.871 -12.415
45 1HB SER 8 2HB SER 8 1.212 2.232 -11.052
46 2HB SER 8 1HB SER 8 1.363 2.757 -12.738
47 HG SER 8 HG SER 8 2.271 0.899 -13.243
48 H ASP 9 H ASP 9 3.657 4.463 -9.483
49 HA ASP 9 HA ASP 9 2.137 6.766 -10.551
50 1HB ASP 9 2HB ASP 9 3.493 6.281 -7.844
51 2HB ASP 9 1HB ASP 9 2.697 7.774 -8.253
52 H GLY 10 H GLY 10 4.558 6.049 -11.897
53 1HA GLY 10 2HA GLY 10 6.332 7.280 -12.913
54 2HA GLY 10 1HA GLY 10 5.789 8.667 -11.975
55 HA PRO 11 HA PRO 11 9.848 7.292 -10.363
56 1HB PRO 11 2HB PRO 11 11.120 9.677 -10.227
57 2HB PRO 11 1HB PRO 11 10.800 8.914 -11.792
58 1HG PRO 11 2HG PRO 11 9.102 11.023 -10.352
59 2HG PRO 11 1HG PRO 11 9.721 11.096 -12.004
60 1HD PRO 11 2HD PRO 11 7.184 10.199 -11.466
61 2HD PRO 11 1HD PRO 11 8.123 9.485 -12.799
62 H SER 12 H SER 12 11.092 7.717 -8.366
63 HA SER 12 HA SER 12 9.250 8.287 -6.157
64 1HB SER 12 2HB SER 12 11.422 7.270 -4.929
65 2HB SER 12 1HB SER 12 10.432 6.197 -5.928
66 HG SER 12 HG SER 12 12.968 6.879 -6.344
67 H VAL 13 H VAL 13 10.735 9.180 -4.198
68 HA VAL 13 HA VAL 13 11.549 11.097 -3.206
69 HB VAL 13 HB VAL 13 13.145 11.372 -5.773
70 1HG1 VAL 13 3HG1 VAL 13 13.933 12.095 -2.912
71 2HG1 VAL 13 2HG1 VAL 13 15.010 12.208 -4.292
72 3HG1 VAL 13 1HG1 VAL 13 13.598 13.230 -4.205
73 1HG2 VAL 13 2HG2 VAL 13 13.795 9.496 -3.434
74 2HG2 VAL 13 1HG2 VAL 13 13.344 9.007 -5.061
75 3HG2 VAL 13 3HG2 VAL 13 14.871 9.811 -4.786
76 H ARG 14 H ARG 14 9.313 11.296 -5.036
77 HA ARG 14 HA ARG 14 8.809 14.100 -4.817
78 1HB ARG 14 2HB ARG 14 10.472 13.522 -7.039
79 2HB ARG 14 1HB ARG 14 8.904 13.484 -7.786
80 1HG ARG 14 2HG ARG 14 8.543 15.849 -6.608
81 2HG ARG 14 1HG ARG 14 10.247 15.745 -6.247
82 1HD ARG 14 2HD ARG 14 10.101 17.001 -8.301
83 2HD ARG 14 1HD ARG 14 10.709 15.409 -8.723
84 HE ARG 14 HE ARG 14 8.155 14.901 -9.221
85 1HH1 ARG 14 2HH1 ARG 14 7.375 17.628 -8.754
86 2HH1 ARG 14 1HH1 ARG 14 7.401 18.385 -10.304
87 1HH2 ARG 14 1HH2 ARG 14 9.411 15.732 -11.577
88 2HH2 ARG 14 2HH2 ARG 14 8.671 17.214 -12.061
89 H GLY 15 H GLY 15 7.218 14.502 -6.995
90 1HA GLY 15 2HA GLY 15 5.072 14.040 -7.865
91 2HA GLY 15 1HA GLY 15 5.129 12.471 -7.069
92 H ASN 16 H ASN 16 5.555 13.090 -4.564
93 HA ASN 16 HA ASN 16 4.608 13.726 -2.519
94 1HB ASN 16 2HB ASN 16 4.496 16.124 -3.320
95 2HB ASN 16 1HB ASN 16 3.028 15.706 -4.206
96 1HD2 ASN 16 2HD2 ASN 16 1.340 16.831 -1.269
97 2HD2 ASN 16 1HD2 ASN 16 1.665 17.198 -2.896
98 H THR 17 H THR 17 2.491 13.371 -1.468
99 HA THR 17 HA THR 17 0.430 12.227 -1.209
100 HB THR 17 HB THR 17 0.146 12.451 -4.305
101 HG1 THR 17 HG1 THR 17 0.641 14.279 -2.609
102 1HG2 THR 17 1HG2 THR 17 -1.932 12.596 -2.048
103 2HG2 THR 17 3HG2 THR 17 -2.232 12.645 -3.772
104 3HG2 THR 17 2HG2 THR 17 -1.705 11.149 -3.030
105 H LEU 18 H LEU 18 -0.595 10.019 -1.861
106 HA LEU 18 HA LEU 18 1.394 8.113 -2.986
107 1HB LEU 18 2HB LEU 18 -0.027 7.805 -0.328
108 2HB LEU 18 1HB LEU 18 1.023 6.605 -1.010
109 HG LEU 18 HG LEU 18 2.584 8.823 -1.065
110 1HD1 LEU 18 1HD1 LEU 18 1.057 9.160 1.496
111 2HD1 LEU 18 3HD1 LEU 18 2.568 9.972 1.130
112 3HD1 LEU 18 2HD1 LEU 18 1.143 10.278 0.163
113 1HD2 LEU 18 2HD2 LEU 18 3.606 6.839 -0.471
114 2HD2 LEU 18 1HD2 LEU 18 3.993 8.063 0.703
115 3HD2 LEU 18 3HD2 LEU 18 2.859 6.818 1.115
116 H SER 19 H SER 19 0.384 6.595 -4.365
117 HA SER 19 HA SER 19 -2.595 6.618 -4.369
118 1HB SER 19 2HB SER 19 -1.213 6.626 -6.611
119 2HB SER 19 1HB SER 19 -0.772 4.971 -6.214
120 HG SER 19 HG SER 19 -3.172 6.035 -6.999
121 H GLY 20 H GLY 20 -0.190 4.965 -2.767
122 1HA GLY 20 2HA GLY 20 -1.906 2.669 -2.376
123 2HA GLY 20 1HA GLY 20 -0.166 2.477 -2.481
124 H THR 21 H THR 21 -0.788 1.416 -0.313
125 HA THR 21 HA THR 21 -0.145 3.181 1.808
126 HB THR 21 HB THR 21 -2.601 1.371 1.812
127 HG1 THR 21 HG1 THR 21 -2.259 3.963 1.098
128 1HG2 THR 21 3HG2 THR 21 -1.588 1.580 4.129
129 2HG2 THR 21 2HG2 THR 21 -1.754 3.325 3.987
130 3HG2 THR 21 1HG2 THR 21 -3.175 2.299 3.993
131 H LEU 22 H LEU 22 0.560 2.045 3.407
132 HA LEU 22 HA LEU 22 1.714 -0.598 2.717
133 1HB LEU 22 2HB LEU 22 3.318 0.980 3.054
134 2HB LEU 22 1HB LEU 22 2.651 1.627 4.535
135 HG LEU 22 HG LEU 22 3.279 -1.237 4.883
136 1HD1 LEU 22 3HD1 LEU 22 4.799 -0.897 2.916
137 2HD1 LEU 22 2HD1 LEU 22 5.569 0.425 3.771
138 3HD1 LEU 22 1HD1 LEU 22 5.708 -1.214 4.387
139 1HD2 LEU 22 1HD2 LEU 22 3.282 0.502 6.678
140 2HD2 LEU 22 3HD2 LEU 22 4.796 -0.390 6.627
141 3HD2 LEU 22 2HD2 LEU 22 4.709 1.230 5.957
142 H TRP 23 H TRP 23 1.425 -2.170 3.771
143 HA TRP 23 HA TRP 23 -0.391 -2.293 6.113
144 1HB TRP 23 2HB TRP 23 0.028 -4.088 3.678
145 2HB TRP 23 1HB TRP 23 -0.783 -4.726 5.114
146 HD1 TRP 23 HD1 TRP 23 -1.491 -2.362 2.102
147 HE1 TRP 23 HE1 TRP 23 -3.784 -1.434 2.503
148 HE3 TRP 23 HE3 TRP 23 -2.270 -4.024 6.788
149 HZ2 TRP 23 HZ2 TRP 23 -5.799 -1.321 4.592
150 HZ3 TRP 23 HZ3 TRP 23 -4.368 -3.450 7.983
151 HH2 TRP 23 HH2 TRP 23 -6.118 -2.125 6.881
152 H LEU 24 H LEU 24 0.377 -3.034 7.859
153 HA LEU 24 HA LEU 24 3.166 -3.904 8.056
154 1HB LEU 24 2HB LEU 24 1.329 -3.752 10.448
155 2HB LEU 24 1HB LEU 24 3.028 -3.375 10.331
156 HG LEU 24 HG LEU 24 0.805 -1.739 9.094
157 1HD1 LEU 24 3HD1 LEU 24 0.824 -1.552 11.581
158 2HD1 LEU 24 2HD1 LEU 24 2.536 -1.164 11.553
159 3HD1 LEU 24 1HD1 LEU 24 1.370 -0.044 10.877
160 1HD2 LEU 24 1HD2 LEU 24 3.786 -1.157 9.321
161 2HD2 LEU 24 3HD2 LEU 24 2.932 -1.521 7.830
162 3HD2 LEU 24 2HD2 LEU 24 2.592 -0.036 8.691
163 H TYR 25 H TYR 25 0.199 -5.104 7.802
164 HA TYR 25 HA TYR 25 0.108 -7.472 9.345
165 1HB TYR 25 2HB TYR 25 -1.066 -6.823 6.607
166 2HB TYR 25 1HB TYR 25 -1.564 -8.201 7.479
167 HD1 TYR 25 HD1 TYR 25 -0.941 -5.574 9.893
168 HD2 TYR 25 HD2 TYR 25 -3.811 -7.085 7.112
169 HE1 TYR 25 HE1 TYR 25 -2.707 -4.397 11.063
170 HE2 TYR 25 HE2 TYR 25 -5.577 -5.893 8.306
171 HH TYR 25 HH TYR 25 -5.283 -4.722 11.345
172 HA PRO 26 HA PRO 26 3.275 -9.706 8.019
173 1HB PRO 26 2HB PRO 26 2.545 -12.366 8.204
174 2HB PRO 26 1HB PRO 26 2.663 -11.324 9.623
175 1HG PRO 26 2HG PRO 26 0.156 -11.943 7.948
176 2HG PRO 26 1HG PRO 26 0.341 -12.083 9.697
177 1HD PRO 26 2HD PRO 26 -0.763 -9.843 8.642
178 2HD PRO 26 1HD PRO 26 0.369 -9.692 10.005
179 H SER 27 H SER 27 0.644 -9.953 6.121
180 HA SER 27 HA SER 27 2.270 -10.986 3.807
181 1HB SER 27 2HB SER 27 0.132 -11.810 2.877
182 2HB SER 27 1HB SER 27 0.514 -12.599 4.419
183 HG SER 27 HG SER 27 -1.520 -10.832 3.859
184 H GLY 28 H GLY 28 1.284 -8.270 5.002
185 1HA GLY 28 2HA GLY 28 1.059 -6.164 4.052
186 2HA GLY 28 1HA GLY 28 1.320 -6.935 2.496
187 H CYS 29 H CYS 29 -0.098 -6.701 1.227
188 HA CYS 29 HA CYS 29 -2.378 -5.348 1.334
189 1HB CYS 29 2HB CYS 29 -1.106 -6.581 -0.655
190 2HB CYS 29 1HB CYS 29 -2.451 -7.686 -0.496
191 HA PRO 30 HA PRO 30 -5.007 -8.247 3.668
192 1HB PRO 30 2HB PRO 30 -6.835 -6.414 4.520
193 2HB PRO 30 1HB PRO 30 -5.268 -6.679 5.290
194 1HG PRO 30 2HG PRO 30 -6.082 -4.392 3.510
195 2HG PRO 30 1HG PRO 30 -4.912 -4.477 4.805
196 1HD PRO 30 2HD PRO 30 -4.338 -4.642 2.021
197 2HD PRO 30 1HD PRO 30 -3.201 -4.973 3.351
198 H SER 31 H SER 31 -6.350 -9.394 2.691
199 HA SER 31 HA SER 31 -7.349 -9.270 0.171
200 1HB SER 31 2HB SER 31 -8.839 -10.636 2.513
201 2HB SER 31 1HB SER 31 -8.659 -11.277 0.866
202 HG SER 31 HG SER 31 -6.805 -12.077 1.555
203 H GLY 32 H GLY 32 -8.193 -7.705 -0.551
204 1HA GLY 32 2HA GLY 32 -10.660 -6.899 -0.978
205 2HA GLY 32 1HA GLY 32 -10.408 -6.172 0.629
206 H TRP 33 H TRP 33 -7.358 -6.337 -0.414
207 HA TRP 33 HA TRP 33 -7.393 -3.651 -1.570
208 1HB TRP 33 2HB TRP 33 -5.438 -5.385 0.069
209 2HB TRP 33 1HB TRP 33 -4.803 -4.005 -0.779
210 HD1 TRP 33 HD1 TRP 33 -7.849 -4.634 1.636
211 HE1 TRP 33 HE1 TRP 33 -7.996 -2.475 2.943
212 HE3 TRP 33 HE3 TRP 33 -4.088 -2.132 -0.416
213 HZ2 TRP 33 HZ2 TRP 33 -6.652 0.141 3.131
214 HZ3 TRP 33 HZ3 TRP 33 -3.459 0.154 0.274
215 HH2 TRP 33 HH2 TRP 33 -4.737 1.299 2.031
216 H HIS 34 H HIS 34 -4.742 -4.221 -2.680
217 HA HIS 34 HA HIS 34 -5.198 -6.195 -4.723
218 1HB HIS 34 2HB HIS 34 -6.435 -4.102 -5.438
219 2HB HIS 34 1HB HIS 34 -4.931 -3.229 -5.461
220 HD1 HIS 34 HD1 HIS 34 -6.304 -3.283 -8.011
221 HD2 HIS 34 HD2 HIS 34 -3.833 -6.387 -7.065
222 HE1 HIS 34 HE1 HIS 34 -5.667 -4.365 -10.158
223 H ASN 35 H ASN 35 -3.126 -3.763 -5.681
224 HA ASN 35 HA ASN 35 -0.728 -4.606 -4.299
225 1HB ASN 35 2HB ASN 35 0.461 -5.585 -6.333
226 2HB ASN 35 1HB ASN 35 -0.818 -6.583 -5.672
227 1HD2 ASN 35 2HD2 ASN 35 -1.757 -4.838 -9.214
228 2HD2 ASN 35 1HD2 ASN 35 -0.971 -3.846 -8.081
229 H CYS 36 H CYS 36 0.947 -3.195 -4.564
230 HA CYS 36 HA CYS 36 0.916 -1.280 -6.835
231 1HB CYS 36 2HB CYS 36 0.076 -0.563 -4.104
232 2HB CYS 36 1HB CYS 36 1.341 0.469 -4.686
233 H LYS 37 H LYS 37 2.773 -2.895 -4.437
234 HA LYS 37 HA LYS 37 5.191 -1.677 -5.527
235 1HB LYS 37 2HB LYS 37 4.458 -2.361 -2.670
236 2HB LYS 37 1HB LYS 37 6.119 -2.355 -3.074
237 1HG LYS 37 2HG LYS 37 4.326 0.117 -3.131
238 2HG LYS 37 1HG LYS 37 5.577 -0.261 -1.968
239 1HD LYS 37 2HD LYS 37 6.593 1.296 -3.164
240 2HD LYS 37 1HD LYS 37 7.291 -0.207 -3.749
241 1HE LYS 37 2HE LYS 37 6.227 -0.121 -5.737
242 2HE LYS 37 1HE LYS 37 4.898 0.878 -5.219
243 1HZ LYS 37 3HZ LYS 37 7.436 2.223 -4.979
244 2HZ LYS 37 2HZ LYS 37 7.172 1.600 -6.540
245 3HZ LYS 37 1HZ LYS 37 6.020 2.651 -5.817
246 H ALA 38 H ALA 38 5.805 -3.175 -6.794
247 HA ALA 38 HA ALA 38 5.346 -6.028 -6.159
248 1HB ALA 38 1HB ALA 38 5.013 -5.185 -8.524
249 2HB ALA 38 3HB ALA 38 6.705 -4.715 -8.565
250 3HB ALA 38 2HB ALA 38 6.278 -6.414 -8.467
251 H HIS 39 H HIS 39 7.520 -3.867 -5.242
252 HA HIS 39 HA HIS 39 9.654 -5.954 -5.046
253 1HB HIS 39 2HB HIS 39 10.201 -3.015 -5.655
254 2HB HIS 39 1HB HIS 39 11.360 -4.331 -5.650
255 HD1 HIS 39 HD1 HIS 39 9.487 -6.302 -7.335
256 HD2 HIS 39 HD2 HIS 39 10.343 -2.452 -8.388
257 HE1 HIS 39 HE1 HIS 39 9.156 -6.146 -9.771
258 H GLY 40 H GLY 40 9.116 -2.682 -3.676
259 1HA GLY 40 2HA GLY 40 10.159 -3.786 -1.116
260 2HA GLY 40 1HA GLY 40 10.289 -2.106 -1.600
261 HA PRO 41 HA PRO 41 10.442 -1.177 0.217
262 1HB PRO 41 2HB PRO 41 9.970 -0.384 2.748
263 2HB PRO 41 1HB PRO 41 9.245 0.476 1.386
264 1HG PRO 41 2HG PRO 41 7.972 -1.773 3.038
265 2HG PRO 41 1HG PRO 41 7.350 -0.150 2.737
266 1HD PRO 41 2HD PRO 41 6.596 -2.284 1.173
267 2HD PRO 41 1HD PRO 41 6.832 -0.684 0.436
268 H THR 42 H THR 42 11.825 -1.616 2.375
269 HA THR 42 HA THR 42 12.072 -4.548 2.470
270 HB THR 42 HB THR 42 14.140 -3.189 2.096
271 HG1 THR 42 HG1 THR 42 13.770 -4.727 4.395
272 1HG2 THR 42 2HG2 THR 42 13.468 -1.114 3.470
273 2HG2 THR 42 1HG2 THR 42 13.665 -2.081 4.921
274 3HG2 THR 42 3HG2 THR 42 15.043 -1.756 3.892
275 H ILE 43 H ILE 43 10.161 -2.539 4.093
276 HA ILE 43 HA ILE 43 10.070 -4.270 6.477
277 HB ILE 43 HB ILE 43 9.740 -2.109 7.897
278 1HG1 ILE 43 2HG1 ILE 43 11.110 -0.814 5.489
279 2HG1 ILE 43 1HG1 ILE 43 9.445 -0.543 5.950
280 1HG2 ILE 43 2HG2 ILE 43 11.771 -3.513 8.055
281 2HG2 ILE 43 1HG2 ILE 43 12.501 -2.663 6.710
282 3HG2 ILE 43 3HG2 ILE 43 12.210 -1.831 8.226
283 1HD1 ILE 43 3HD1 ILE 43 10.195 0.405 8.132
284 2HD1 ILE 43 2HD1 ILE 43 11.874 0.173 7.667
285 3HD1 ILE 43 1HD1 ILE 43 10.862 1.291 6.775
286 H GLY 44 H GLY 44 8.028 -4.905 6.718
287 1HA GLY 44 2HA GLY 44 5.654 -4.848 6.722
288 2HA GLY 44 1HA GLY 44 5.750 -3.107 6.373
289 H TRP 45 H TRP 45 3.915 -3.863 4.764
290 HA TRP 45 HA TRP 45 5.243 -4.590 2.184
291 1HB TRP 45 2HB TRP 45 2.435 -5.235 2.952
292 2HB TRP 45 1HB TRP 45 3.225 -5.751 1.486
293 HD1 TRP 45 HD1 TRP 45 3.541 -6.463 5.369
294 HE1 TRP 45 HE1 TRP 45 4.140 -8.913 5.475
295 HE3 TRP 45 HE3 TRP 45 3.997 -7.533 0.469
296 HZ2 TRP 45 HZ2 TRP 45 4.738 -11.122 3.779
297 HZ3 TRP 45 HZ3 TRP 45 4.583 -9.816 -0.292
298 HH2 TRP 45 HH2 TRP 45 4.965 -11.604 1.367
299 H CYS 46 H CYS 46 4.217 -3.671 0.399
300 HA CYS 46 HA CYS 46 2.518 -1.296 1.006
301 1HB CYS 46 2HB CYS 46 4.969 -1.698 -0.518
302 2HB CYS 46 1HB CYS 46 3.760 -0.713 -1.258
303 H CYS 47 H CYS 47 0.694 -1.191 -0.035
304 HA CYS 47 HA CYS 47 0.282 -2.378 -2.673
305 1HB CYS 47 2HB CYS 47 -0.173 -4.103 -0.749
306 2HB CYS 47 1HB CYS 47 -1.545 -3.111 -0.348
307 H LYS 48 H LYS 48 -2.472 -2.110 -2.704
308 HA LYS 48 HA LYS 48 -3.229 0.552 -1.704
309 1HB LYS 48 2HB LYS 48 -3.748 1.507 -3.821
310 2HB LYS 48 1HB LYS 48 -2.095 0.962 -3.998
311 1HG LYS 48 2HG LYS 48 -2.652 -0.520 -5.699
312 2HG LYS 48 1HG LYS 48 -4.043 -1.128 -4.860
313 1HD LYS 48 2HD LYS 48 -4.978 -0.127 -6.737
314 2HD LYS 48 1HD LYS 48 -5.278 1.039 -5.499
315 1HE LYS 48 2HE LYS 48 -3.046 1.163 -7.598
316 2HE LYS 48 1HE LYS 48 -4.514 2.126 -7.612
317 1HZ LYS 48 1HZ LYS 48 -3.156 2.589 -5.163
318 2HZ LYS 48 3HZ LYS 48 -2.058 2.761 -6.418
319 3HZ LYS 48 2HZ LYS 48 -3.441 3.698 -6.357
320 H GLN 49 H GLN 49 -5.755 0.757 -2.235
321 HA GLN 49 HA GLN 49 -6.812 -1.817 -1.882
322 1HB GLN 49 2HB GLN 49 -7.239 0.762 -0.829
323 2HB GLN 49 1HB GLN 49 -8.476 0.697 -2.085
324 1HG GLN 49 2HG GLN 49 -9.096 -1.394 -1.388
325 2HG GLN 49 1HG GLN 49 -7.889 -1.421 -0.096
326 1HE2 GLN 49 2HE2 GLN 49 -10.730 -0.502 1.884
327 2HE2 GLN 49 1HE2 GLN 49 -9.915 -1.869 1.273
No H/Q in entry = 327
Start of MODEL 11
Raw file had 333 H/Q atoms
Start of MODEL 11
1 1H GLY 1 3H GLY 1 -3.566 4.566 6.967
2 2H GLY 1 2H GLY 1 -4.496 3.188 6.603
3 3H GLY 1 1H GLY 1 -4.158 3.586 8.221
4 1HA GLY 1 2HA GLY 1 -2.266 2.380 8.148
5 2HA GLY 1 1HA GLY 1 -2.597 2.012 6.437
6 H VAL 2 H VAL 2 0.040 2.440 6.684
7 HA VAL 2 HA VAL 2 0.587 5.342 6.524
8 HB VAL 2 HB VAL 2 2.330 4.390 7.710
9 1HG1 VAL 2 3HG1 VAL 2 2.087 1.832 6.030
10 2HG1 VAL 2 2HG1 VAL 2 3.281 2.048 7.302
11 3HG1 VAL 2 1HG1 VAL 2 1.583 2.014 7.704
12 1HG2 VAL 2 2HG2 VAL 2 3.475 5.401 5.814
13 2HG2 VAL 2 1HG2 VAL 2 4.363 3.999 6.344
14 3HG2 VAL 2 3HG2 VAL 2 3.382 3.915 4.897
15 H SER 3 H SER 3 1.105 6.332 4.636
16 HA SER 3 HA SER 3 0.109 5.170 2.211
17 1HB SER 3 2HB SER 3 1.886 7.614 2.503
18 2HB SER 3 1HB SER 3 0.748 7.385 1.207
19 HG SER 3 HG SER 3 -0.688 8.246 2.560
20 H CYS 4 H CYS 4 1.325 5.231 0.140
21 HA CYS 4 HA CYS 4 4.210 4.719 0.312
22 1HB CYS 4 2HB CYS 4 2.901 2.508 0.865
23 2HB CYS 4 1HB CYS 4 2.473 2.501 -0.828
24 H LEU 5 H LEU 5 5.128 5.310 -1.673
25 HA LEU 5 HA LEU 5 3.186 6.133 -3.748
26 1HB LEU 5 2HB LEU 5 5.997 6.902 -3.047
27 2HB LEU 5 1HB LEU 5 5.716 6.734 -4.762
28 HG LEU 5 HG LEU 5 3.892 8.358 -2.954
29 1HD1 LEU 5 1HD1 LEU 5 6.118 9.252 -4.866
30 2HD1 LEU 5 3HD1 LEU 5 5.061 10.346 -3.985
31 3HD1 LEU 5 2HD1 LEU 5 6.232 9.364 -3.110
32 1HD2 LEU 5 2HD2 LEU 5 4.140 8.282 -5.979
33 2HD2 LEU 5 1HD2 LEU 5 2.812 7.627 -5.042
34 3HD2 LEU 5 3HD2 LEU 5 3.084 9.346 -5.071
35 H CYS 6 H CYS 6 2.699 4.798 -5.184
36 HA CYS 6 HA CYS 6 4.319 2.369 -5.620
37 1HB CYS 6 2HB CYS 6 1.763 3.104 -7.010
38 2HB CYS 6 1HB CYS 6 2.410 1.517 -6.746
39 H ASP 7 H ASP 7 5.023 1.732 -7.635
40 HA ASP 7 HA ASP 7 6.364 3.701 -9.152
41 1HB ASP 7 2HB ASP 7 5.726 0.755 -9.610
42 2HB ASP 7 1HB ASP 7 6.819 1.710 -10.590
43 H SER 8 H SER 8 3.212 2.895 -9.239
44 HA SER 8 HA SER 8 2.673 3.640 -12.050
45 1HB SER 8 2HB SER 8 0.262 3.038 -11.247
46 2HB SER 8 1HB SER 8 1.433 1.700 -11.293
47 HG SER 8 HG SER 8 0.663 3.290 -9.023
48 H ASP 9 H ASP 9 2.990 5.108 -9.120
49 HA ASP 9 HA ASP 9 0.913 7.154 -9.451
50 1HB ASP 9 2HB ASP 9 3.090 6.898 -7.295
51 2HB ASP 9 1HB ASP 9 1.683 7.935 -7.227
52 H GLY 10 H GLY 10 1.429 9.414 -9.504
53 1HA GLY 10 2HA GLY 10 4.011 9.990 -10.873
54 2HA GLY 10 1HA GLY 10 2.499 10.794 -11.238
55 HA PRO 11 HA PRO 11 4.322 12.659 -7.224
56 1HB PRO 11 2HB PRO 11 6.950 13.381 -7.452
57 2HB PRO 11 1HB PRO 11 6.477 11.754 -6.938
58 1HG PRO 11 2HG PRO 11 7.205 12.697 -9.770
59 2HG PRO 11 1HG PRO 11 7.862 11.312 -8.888
60 1HD PRO 11 2HD PRO 11 5.818 10.997 -10.663
61 2HD PRO 11 1HD PRO 11 5.862 10.008 -9.185
62 H SER 12 H SER 12 4.792 14.946 -6.797
63 HA SER 12 HA SER 12 4.607 16.716 -9.167
64 1HB SER 12 2HB SER 12 2.877 18.043 -7.756
65 2HB SER 12 1HB SER 12 2.305 16.438 -8.251
66 HG SER 12 HG SER 12 3.026 17.343 -5.726
67 H VAL 13 H VAL 13 4.995 19.075 -8.391
68 HA VAL 13 HA VAL 13 7.467 19.041 -6.834
69 HB VAL 13 HB VAL 13 7.333 21.515 -7.146
70 1HG1 VAL 13 2HG1 VAL 13 7.185 19.754 -9.659
71 2HG1 VAL 13 1HG1 VAL 13 7.879 21.366 -9.653
72 3HG1 VAL 13 3HG1 VAL 13 8.628 20.086 -8.720
73 1HG2 VAL 13 3HG2 VAL 13 4.855 21.801 -7.532
74 2HG2 VAL 13 2HG2 VAL 13 5.750 22.423 -8.899
75 3HG2 VAL 13 1HG2 VAL 13 4.960 20.870 -9.015
76 H ARG 14 H ARG 14 6.668 18.260 -5.036
77 HA ARG 14 HA ARG 14 6.206 18.243 -2.759
78 1HB ARG 14 2HB ARG 14 5.399 21.169 -3.220
79 2HB ARG 14 1HB ARG 14 5.662 20.425 -1.656
80 1HG ARG 14 2HG ARG 14 8.019 20.189 -3.441
81 2HG ARG 14 1HG ARG 14 7.584 21.849 -3.132
82 1HD ARG 14 2HD ARG 14 8.038 19.764 -0.936
83 2HD ARG 14 1HD ARG 14 9.236 20.941 -1.463
84 HE ARG 14 HE ARG 14 6.581 21.875 -0.398
85 1HH1 ARG 14 1HH2 ARG 14 7.803 24.169 -0.780
86 2HH1 ARG 14 2HH2 ARG 14 8.892 24.479 0.510
87 1HH2 ARG 14 2HH1 ARG 14 8.896 21.042 1.400
88 2HH2 ARG 14 1HH1 ARG 14 9.577 22.560 1.851
89 H GLY 15 H GLY 15 4.125 19.279 -1.335
90 1HA GLY 15 2HA GLY 15 1.747 19.302 -1.168
91 2HA GLY 15 1HA GLY 15 1.639 18.804 -2.851
92 H ASN 16 H ASN 16 3.260 16.560 -2.736
93 HA ASN 16 HA ASN 16 3.210 14.253 -2.288
94 1HB ASN 16 2HB ASN 16 3.666 14.647 0.063
95 2HB ASN 16 1HB ASN 16 2.011 15.186 0.354
96 1HD2 ASN 16 2HD2 ASN 16 1.193 11.899 1.353
97 2HD2 ASN 16 1HD2 ASN 16 1.128 13.554 1.715
98 H THR 17 H THR 17 1.985 12.526 -2.440
99 HA THR 17 HA THR 17 -0.860 12.273 -2.210
100 HB THR 17 HB THR 17 -1.166 11.827 -4.821
101 HG1 THR 17 HG1 THR 17 1.368 12.211 -4.660
102 1HG2 THR 17 2HG2 THR 17 -1.982 14.085 -3.823
103 2HG2 THR 17 1HG2 THR 17 -0.418 14.741 -4.276
104 3HG2 THR 17 3HG2 THR 17 -1.487 14.125 -5.511
105 H LEU 18 H LEU 18 -1.162 9.983 -2.167
106 HA LEU 18 HA LEU 18 1.002 8.238 -3.231
107 1HB LEU 18 2HB LEU 18 -0.184 7.904 -0.460
108 2HB LEU 18 1HB LEU 18 1.017 6.863 -1.191
109 HG LEU 18 HG LEU 18 2.137 9.320 -1.380
110 1HD1 LEU 18 1HD1 LEU 18 0.790 9.394 1.326
111 2HD1 LEU 18 3HD1 LEU 18 2.158 10.365 0.850
112 3HD1 LEU 18 2HD1 LEU 18 0.637 10.483 -0.029
113 1HD2 LEU 18 1HD2 LEU 18 2.887 7.286 0.698
114 2HD2 LEU 18 3HD2 LEU 18 3.509 7.481 -0.919
115 3HD2 LEU 18 2HD2 LEU 18 3.816 8.699 0.288
116 H SER 19 H SER 19 0.026 6.696 -4.463
117 HA SER 19 HA SER 19 -2.873 6.281 -4.103
118 1HB SER 19 2HB SER 19 -1.032 4.652 -5.914
119 2HB SER 19 1HB SER 19 -2.759 4.956 -6.135
120 HG SER 19 HG SER 19 -0.806 6.309 -7.082
121 H GLY 20 H GLY 20 0.172 4.816 -3.283
122 1HA GLY 20 2HA GLY 20 -0.968 2.328 -2.510
123 2HA GLY 20 1HA GLY 20 0.717 2.758 -2.486
124 H THR 21 H THR 21 -0.334 1.380 -0.581
125 HA THR 21 HA THR 21 0.181 2.992 1.729
126 HB THR 21 HB THR 21 -2.213 1.192 1.601
127 HG1 THR 21 HG1 THR 21 -1.843 3.822 0.784
128 1HG2 THR 21 2HG2 THR 21 -1.406 1.731 3.937
129 2HG2 THR 21 1HG2 THR 21 -1.621 3.438 3.560
130 3HG2 THR 21 3HG2 THR 21 -3.009 2.370 3.598
131 H LEU 22 H LEU 22 1.077 1.976 3.045
132 HA LEU 22 HA LEU 22 2.102 -0.785 2.661
133 1HB LEU 22 2HB LEU 22 3.897 0.628 3.000
134 2HB LEU 22 1HB LEU 22 3.126 1.606 4.217
135 HG LEU 22 HG LEU 22 3.419 -0.451 5.733
136 1HD1 LEU 22 2HD1 LEU 22 5.113 -1.509 3.415
137 2HD1 LEU 22 1HD1 LEU 22 5.065 -2.197 5.028
138 3HD1 LEU 22 3HD1 LEU 22 3.636 -2.221 4.035
139 1HD2 LEU 22 2HD2 LEU 22 5.947 0.707 4.505
140 2HD2 LEU 22 1HD2 LEU 22 5.056 1.386 5.851
141 3HD2 LEU 22 3HD2 LEU 22 5.892 -0.144 6.044
142 H TRP 23 H TRP 23 1.787 -2.296 3.892
143 HA TRP 23 HA TRP 23 0.003 -2.068 6.257
144 1HB TRP 23 2HB TRP 23 0.172 -4.048 3.961
145 2HB TRP 23 1HB TRP 23 -0.714 -4.435 5.454
146 HD1 TRP 23 HD1 TRP 23 -0.952 -2.106 2.312
147 HE1 TRP 23 HE1 TRP 23 -3.234 -1.051 2.466
148 HE3 TRP 23 HE3 TRP 23 -2.373 -3.803 6.848
149 HZ2 TRP 23 HZ2 TRP 23 -5.467 -0.866 4.296
150 HZ3 TRP 23 HZ3 TRP 23 -4.585 -3.144 7.777
151 HH2 TRP 23 HH2 TRP 23 -6.113 -1.712 6.512
152 H LEU 24 H LEU 24 0.817 -2.817 8.019
153 HA LEU 24 HA LEU 24 3.524 -3.941 8.123
154 1HB LEU 24 2HB LEU 24 1.835 -3.447 10.572
155 2HB LEU 24 1HB LEU 24 3.557 -3.229 10.362
156 HG LEU 24 HG LEU 24 1.399 -1.543 9.103
157 1HD1 LEU 24 2HD1 LEU 24 3.382 -0.916 11.345
158 2HD1 LEU 24 1HD1 LEU 24 2.271 0.255 10.654
159 3HD1 LEU 24 3HD1 LEU 24 1.649 -1.128 11.536
160 1HD2 LEU 24 3HD2 LEU 24 3.453 -1.666 7.662
161 2HD2 LEU 24 2HD2 LEU 24 3.287 -0.065 8.349
162 3HD2 LEU 24 1HD2 LEU 24 4.440 -1.199 9.028
163 H TYR 25 H TYR 25 0.502 -4.918 7.919
164 HA TYR 25 HA TYR 25 0.246 -7.183 9.640
165 1HB TYR 25 2HB TYR 25 -0.826 -6.658 6.822
166 2HB TYR 25 1HB TYR 25 -1.449 -7.921 7.765
167 HD1 TYR 25 HD2 TYR 25 -0.752 -5.053 9.923
168 HD2 TYR 25 HD1 TYR 25 -3.608 -6.869 7.313
169 HE1 TYR 25 HE2 TYR 25 -2.537 -3.727 10.924
170 HE2 TYR 25 HE1 TYR 25 -5.371 -5.546 8.325
171 HH TYR 25 HH TYR 25 -5.868 -4.288 10.221
172 HA PRO 26 HA PRO 26 3.397 -9.637 8.335
173 1HB PRO 26 2HB PRO 26 2.520 -12.272 8.365
174 2HB PRO 26 1HB PRO 26 2.662 -11.315 9.841
175 1HG PRO 26 2HG PRO 26 0.176 -11.720 8.092
176 2HG PRO 26 1HG PRO 26 0.312 -11.944 9.838
177 1HD PRO 26 2HD PRO 26 -0.661 -9.603 8.844
178 2HD PRO 26 1HD PRO 26 0.431 -9.555 10.245
179 H SER 27 H SER 27 0.715 -9.906 6.500
180 HA SER 27 HA SER 27 2.242 -10.701 4.027
181 1HB SER 27 2HB SER 27 -0.036 -11.429 3.173
182 2HB SER 27 1HB SER 27 0.513 -12.378 4.567
183 HG SER 27 HG SER 27 -1.508 -10.504 4.410
184 H GLY 28 H GLY 28 1.339 -8.257 5.632
185 1HA GLY 28 2HA GLY 28 0.696 -6.067 5.364
186 2HA GLY 28 1HA GLY 28 1.491 -6.171 3.852
187 H CYS 29 H CYS 29 0.456 -6.843 2.293
188 HA CYS 29 HA CYS 29 -1.633 -5.602 1.244
189 1HB CYS 29 2HB CYS 29 0.193 -7.419 0.403
190 2HB CYS 29 1HB CYS 29 -1.244 -8.381 0.287
191 HA PRO 30 HA PRO 30 -4.623 -7.951 3.716
192 1HB PRO 30 2HB PRO 30 -6.253 -6.011 4.513
193 2HB PRO 30 1HB PRO 30 -4.597 -6.136 5.120
194 1HG PRO 30 2HG PRO 30 -5.661 -4.256 2.998
195 2HG PRO 30 1HG PRO 30 -4.520 -3.990 4.281
196 1HD PRO 30 2HD PRO 30 -3.874 -4.663 1.566
197 2HD PRO 30 1HD PRO 30 -2.725 -4.680 2.927
198 H SER 31 H SER 31 -6.061 -9.086 2.876
199 HA SER 31 HA SER 31 -7.132 -9.173 0.397
200 1HB SER 31 2HB SER 31 -8.635 -10.181 2.894
201 2HB SER 31 1HB SER 31 -8.490 -11.003 1.328
202 HG SER 31 HG SER 31 -6.741 -11.865 2.222
203 H GLY 32 H GLY 32 -8.183 -7.847 -0.526
204 1HA GLY 32 2HA GLY 32 -10.549 -6.870 -0.791
205 2HA GLY 32 1HA GLY 32 -10.196 -6.088 0.768
206 H TRP 33 H TRP 33 -7.251 -6.371 -0.509
207 HA TRP 33 HA TRP 33 -7.287 -3.805 -1.851
208 1HB TRP 33 2HB TRP 33 -5.233 -5.331 -0.102
209 2HB TRP 33 1HB TRP 33 -4.686 -4.024 -1.102
210 HD1 TRP 33 HD1 TRP 33 -7.697 -4.465 1.395
211 HE1 TRP 33 HE1 TRP 33 -7.796 -2.243 2.586
212 HE3 TRP 33 HE3 TRP 33 -3.815 -2.157 -0.738
213 HZ2 TRP 33 HZ2 TRP 33 -6.349 0.323 2.686
214 HZ3 TRP 33 HZ3 TRP 33 -3.134 0.121 -0.141
215 HH2 TRP 33 HH2 TRP 33 -4.397 1.377 1.561
216 H HIS 34 H HIS 34 -5.018 -4.018 -3.001
217 HA HIS 34 HA HIS 34 -5.071 -6.318 -4.748
218 1HB HIS 34 2HB HIS 34 -4.978 -3.335 -5.443
219 2HB HIS 34 1HB HIS 34 -4.586 -4.558 -6.659
220 HD1 HIS 34 HD1 HIS 34 -7.156 -6.162 -4.993
221 HD2 HIS 34 HD2 HIS 34 -7.128 -2.870 -7.382
222 HE1 HIS 34 HE1 HIS 34 -9.455 -5.928 -5.879
223 H ASN 35 H ASN 35 -2.844 -4.200 -5.827
224 HA ASN 35 HA ASN 35 -0.831 -4.479 -3.744
225 1HB ASN 35 2HB ASN 35 0.692 -5.925 -5.117
226 2HB ASN 35 1HB ASN 35 -0.773 -6.790 -4.704
227 1HD2 ASN 35 2HD2 ASN 35 -1.940 -6.858 -8.073
228 2HD2 ASN 35 1HD2 ASN 35 -2.406 -7.029 -6.440
229 H CYS 36 H CYS 36 1.142 -3.282 -4.491
230 HA CYS 36 HA CYS 36 0.889 -1.834 -7.085
231 1HB CYS 36 2HB CYS 36 0.493 0.237 -6.281
232 2HB CYS 36 1HB CYS 36 -0.389 -0.638 -5.073
233 H LYS 37 H LYS 37 2.743 -1.955 -4.003
234 HA LYS 37 HA LYS 37 5.108 -1.271 -5.565
235 1HB LYS 37 2HB LYS 37 4.561 -1.669 -2.692
236 2HB LYS 37 1HB LYS 37 6.192 -1.588 -3.221
237 1HG LYS 37 2HG LYS 37 4.156 0.556 -3.829
238 2HG LYS 37 1HG LYS 37 5.311 0.593 -2.504
239 1HD LYS 37 2HD LYS 37 6.899 -0.122 -4.759
240 2HD LYS 37 1HD LYS 37 5.764 1.045 -5.387
241 1HE LYS 37 2HE LYS 37 6.415 2.391 -3.206
242 2HE LYS 37 1HE LYS 37 7.768 1.277 -3.183
243 1HZ LYS 37 1HZ LYS 37 7.578 2.140 -5.824
244 2HZ LYS 37 3HZ LYS 37 7.299 3.507 -4.863
245 3HZ LYS 37 2HZ LYS 37 8.771 2.597 -4.696
246 H ALA 38 H ALA 38 5.015 -3.164 -6.800
247 HA ALA 38 HA ALA 38 5.567 -5.783 -5.818
248 1HB ALA 38 2HB ALA 38 6.453 -4.481 -8.410
249 2HB ALA 38 1HB ALA 38 6.433 -6.217 -8.139
250 3HB ALA 38 3HB ALA 38 4.914 -5.320 -8.202
251 H HIS 39 H HIS 39 7.430 -3.176 -5.525
252 HA HIS 39 HA HIS 39 10.021 -4.641 -5.550
253 1HB HIS 39 2HB HIS 39 9.438 -1.668 -5.488
254 2HB HIS 39 1HB HIS 39 11.037 -2.397 -5.495
255 HD1 HIS 39 HD1 HIS 39 10.973 -4.344 -7.703
256 HD2 HIS 39 HD2 HIS 39 8.762 -0.924 -8.029
257 HE1 HIS 39 HE1 HIS 39 10.519 -4.033 -10.106
258 H GLY 40 H GLY 40 7.869 -3.196 -3.224
259 1HA GLY 40 2HA GLY 40 8.608 -4.289 -0.963
260 2HA GLY 40 1HA GLY 40 10.019 -3.248 -1.193
261 HA PRO 41 HA PRO 41 10.599 -1.980 0.666
262 1HB PRO 41 2HB PRO 41 10.221 -1.519 3.307
263 2HB PRO 41 1HB PRO 41 10.088 -0.212 2.135
264 1HG PRO 41 2HG PRO 41 7.814 -1.955 3.247
265 2HG PRO 41 1HG PRO 41 7.939 -0.193 3.290
266 1HD PRO 41 2HD PRO 41 6.569 -1.427 1.253
267 2HD PRO 41 1HD PRO 41 7.551 0.000 0.900
268 H THR 42 H THR 42 11.410 -3.216 2.840
269 HA THR 42 HA THR 42 10.498 -6.008 2.384
270 HB THR 42 HB THR 42 12.947 -5.654 2.173
271 HG1 THR 42 HG1 THR 42 11.829 -7.155 4.211
272 1HG2 THR 42 3HG2 THR 42 13.184 -3.624 3.747
273 2HG2 THR 42 2HG2 THR 42 12.897 -4.713 5.097
274 3HG2 THR 42 1HG2 THR 42 14.312 -4.914 4.087
275 H ILE 43 H ILE 43 9.897 -3.514 4.467
276 HA ILE 43 HA ILE 43 9.262 -5.331 6.768
277 HB ILE 43 HB ILE 43 8.971 -3.081 8.033
278 1HG1 ILE 43 2HG1 ILE 43 10.621 -1.897 5.756
279 2HG1 ILE 43 1HG1 ILE 43 8.897 -1.627 5.900
280 1HG2 ILE 43 1HG2 ILE 43 10.926 -4.564 8.331
281 2HG2 ILE 43 3HG2 ILE 43 11.725 -3.827 6.951
282 3HG2 ILE 43 2HG2 ILE 43 11.442 -2.895 8.412
283 1HD1 ILE 43 3HD1 ILE 43 9.218 -0.630 8.146
284 2HD1 ILE 43 2HD1 ILE 43 10.956 -0.852 8.021
285 3HD1 ILE 43 1HD1 ILE 43 10.128 0.236 6.925
286 H GLY 44 H GLY 44 7.311 -6.134 6.180
287 1HA GLY 44 2HA GLY 44 4.922 -6.026 6.206
288 2HA GLY 44 1HA GLY 44 5.030 -4.257 6.055
289 H TRP 45 H TRP 45 3.506 -4.509 4.233
290 HA TRP 45 HA TRP 45 4.960 -5.042 1.684
291 1HB TRP 45 2HB TRP 45 2.088 -5.993 2.048
292 2HB TRP 45 1HB TRP 45 3.154 -6.313 0.734
293 HD1 TRP 45 HD1 TRP 45 3.636 -7.202 4.630
294 HE1 TRP 45 HE1 TRP 45 4.264 -9.634 4.615
295 HE3 TRP 45 HE3 TRP 45 3.423 -8.149 -0.314
296 HZ2 TRP 45 HZ2 TRP 45 4.647 -11.802 2.787
297 HZ3 TRP 45 HZ3 TRP 45 3.919 -10.398 -1.190
298 HH2 TRP 45 HH2 TRP 45 4.532 -12.222 0.348
299 H CYS 46 H CYS 46 4.307 -3.592 0.050
300 HA CYS 46 HA CYS 46 2.401 -1.432 0.864
301 1HB CYS 46 2HB CYS 46 4.904 -1.549 -0.725
302 2HB CYS 46 1HB CYS 46 3.697 -0.437 -1.286
303 H CYS 47 H CYS 47 0.461 -1.596 -0.022
304 HA CYS 47 HA CYS 47 0.189 -2.470 -2.842
305 1HB CYS 47 2HB CYS 47 -1.393 -3.430 -0.399
306 2HB CYS 47 1HB CYS 47 -1.898 -3.768 -2.021
307 H LYS 48 H LYS 48 -2.448 -2.161 -3.190
308 HA LYS 48 HA LYS 48 -3.235 0.550 -2.275
309 1HB LYS 48 2HB LYS 48 -3.814 1.168 -4.643
310 2HB LYS 48 1HB LYS 48 -2.117 0.783 -4.600
311 1HG LYS 48 2HG LYS 48 -2.656 -1.558 -5.385
312 2HG LYS 48 1HG LYS 48 -4.352 -1.128 -5.435
313 1HD LYS 48 2HD LYS 48 -3.884 0.629 -7.110
314 2HD LYS 48 1HD LYS 48 -2.177 0.163 -7.135
315 1HE LYS 48 2HE LYS 48 -2.962 -2.210 -7.742
316 2HE LYS 48 1HE LYS 48 -4.592 -1.574 -7.886
317 1HZ LYS 48 1HZ LYS 48 -2.855 0.041 -9.414
318 2HZ LYS 48 3HZ LYS 48 -2.537 -1.561 -9.792
319 3HZ LYS 48 2HZ LYS 48 -4.125 -0.949 -9.963
320 H GLN 49 H GLN 49 -5.782 0.538 -2.623
321 HA GLN 49 HA GLN 49 -6.547 -2.024 -1.904
322 1HB GLN 49 2HB GLN 49 -7.569 0.558 -1.502
323 2HB GLN 49 1HB GLN 49 -8.664 -0.061 -2.754
324 1HG GLN 49 2HG GLN 49 -8.517 -2.223 -1.472
325 2HG GLN 49 1HG GLN 49 -7.883 -1.239 -0.168
326 1HE2 GLN 49 2HE2 GLN 49 -11.613 -1.802 0.050
327 2HE2 GLN 49 1HE2 GLN 49 -10.379 -2.883 -0.427
No H/Q in entry = 327
Start of MODEL 12
Raw file had 333 H/Q atoms
Start of MODEL 12
1 1H GLY 1 1H GLY 1 -3.690 4.228 7.921
2 2H GLY 1 3H GLY 1 -4.692 2.936 7.484
3 3H GLY 1 2H GLY 1 -4.054 3.028 9.062
4 1HA GLY 1 2HA GLY 1 -2.229 1.900 8.426
5 2HA GLY 1 1HA GLY 1 -2.884 1.836 6.767
6 H VAL 2 H VAL 2 -0.122 2.299 6.877
7 HA VAL 2 HA VAL 2 0.228 5.250 6.905
8 HB VAL 2 HB VAL 2 2.233 3.133 6.084
9 1HG1 VAL 2 1HG1 VAL 2 2.681 5.964 7.107
10 2HG1 VAL 2 3HG1 VAL 2 3.942 4.800 6.741
11 3HG1 VAL 2 2HG1 VAL 2 2.913 5.392 5.459
12 1HG2 VAL 2 1HG2 VAL 2 1.771 4.286 8.880
13 2HG2 VAL 2 3HG2 VAL 2 1.455 2.622 8.419
14 3HG2 VAL 2 2HG2 VAL 2 3.097 3.223 8.449
15 H SER 3 H SER 3 0.571 6.406 4.974
16 HA SER 3 HA SER 3 -0.505 5.140 2.580
17 1HB SER 3 2HB SER 3 0.847 7.845 2.674
18 2HB SER 3 1HB SER 3 -0.427 7.309 1.583
19 HG SER 3 HG SER 3 -1.661 8.215 3.086
20 H CYS 4 H CYS 4 0.677 5.158 0.593
21 HA CYS 4 HA CYS 4 3.596 5.377 0.568
22 1HB CYS 4 2HB CYS 4 3.297 3.073 1.526
23 2HB CYS 4 1HB CYS 4 2.269 2.641 0.175
24 H LEU 5 H LEU 5 4.305 5.386 -1.741
25 HA LEU 5 HA LEU 5 2.117 6.035 -3.545
26 1HB LEU 5 2HB LEU 5 3.866 6.784 -4.938
27 2HB LEU 5 1HB LEU 5 4.134 7.385 -3.350
28 HG LEU 5 HG LEU 5 5.623 5.135 -3.149
29 1HD1 LEU 5 2HD1 LEU 5 5.754 5.769 -6.113
30 2HD1 LEU 5 1HD1 LEU 5 6.822 4.671 -5.256
31 3HD1 LEU 5 3HD1 LEU 5 5.123 4.292 -5.425
32 1HD2 LEU 5 3HD2 LEU 5 6.443 7.683 -4.599
33 2HD2 LEU 5 2HD2 LEU 5 6.371 7.468 -2.857
34 3HD2 LEU 5 1HD2 LEU 5 7.564 6.580 -3.797
35 H CYS 6 H CYS 6 2.110 5.070 -5.692
36 HA CYS 6 HA CYS 6 2.577 2.109 -5.583
37 1HB CYS 6 2HB CYS 6 0.677 3.816 -7.196
38 2HB CYS 6 1HB CYS 6 1.058 2.189 -7.686
39 H ASP 7 H ASP 7 3.443 1.203 -7.765
40 HA ASP 7 HA ASP 7 5.828 2.516 -8.468
41 1HB ASP 7 2HB ASP 7 5.824 0.992 -10.475
42 2HB ASP 7 1HB ASP 7 5.407 0.147 -8.993
43 H SER 8 H SER 8 2.772 3.047 -9.659
44 HA SER 8 HA SER 8 3.332 4.498 -12.075
45 1HB SER 8 2HB SER 8 0.858 4.801 -10.315
46 2HB SER 8 1HB SER 8 0.957 4.952 -12.071
47 HG SER 8 HG SER 8 2.035 2.573 -11.450
48 H ASP 9 H ASP 9 3.712 5.447 -8.848
49 HA ASP 9 HA ASP 9 3.352 8.339 -9.328
50 1HB ASP 9 2HB ASP 9 4.000 6.568 -6.972
51 2HB ASP 9 1HB ASP 9 4.231 8.293 -6.823
52 H GLY 10 H GLY 10 4.937 7.652 -11.045
53 1HA GLY 10 2HA GLY 10 7.774 7.572 -10.402
54 2HA GLY 10 1HA GLY 10 7.106 7.771 -12.015
55 HA PRO 11 HA PRO 11 7.746 12.214 -11.303
56 1HB PRO 11 2HB PRO 11 5.535 13.511 -12.200
57 2HB PRO 11 1HB PRO 11 6.554 12.593 -13.318
58 1HG PRO 11 2HG PRO 11 3.982 11.680 -11.911
59 2HG PRO 11 1HG PRO 11 4.368 11.555 -13.626
60 1HD PRO 11 2HD PRO 11 4.750 9.474 -11.869
61 2HD PRO 11 1HD PRO 11 5.803 9.672 -13.285
62 H SER 12 H SER 12 6.711 14.261 -10.123
63 HA SER 12 HA SER 12 4.895 13.496 -7.947
64 1HB SER 12 2HB SER 12 6.524 14.218 -6.158
65 2HB SER 12 1HB SER 12 7.214 12.891 -7.093
66 HG SER 12 HG SER 12 7.604 15.437 -8.185
67 H VAL 13 H VAL 13 3.785 15.238 -7.079
68 HA VAL 13 HA VAL 13 4.576 17.922 -8.047
69 HB VAL 13 HB VAL 13 2.047 18.302 -8.335
70 1HG1 VAL 13 3HG1 VAL 13 3.566 17.930 -10.316
71 2HG1 VAL 13 2HG1 VAL 13 3.354 16.198 -10.144
72 3HG1 VAL 13 1HG1 VAL 13 1.994 17.211 -10.603
73 1HG2 VAL 13 3HG2 VAL 13 1.244 16.336 -7.040
74 2HG2 VAL 13 2HG2 VAL 13 0.613 16.317 -8.673
75 3HG2 VAL 13 1HG2 VAL 13 1.938 15.261 -8.239
76 H ARG 14 H ARG 14 3.352 19.608 -6.805
77 HA ARG 14 HA ARG 14 3.956 19.653 -4.119
78 1HB ARG 14 2HB ARG 14 1.573 20.919 -5.504
79 2HB ARG 14 1HB ARG 14 2.135 21.402 -3.917
80 1HG ARG 14 2HG ARG 14 4.220 22.230 -4.735
81 2HG ARG 14 1HG ARG 14 4.075 21.437 -6.285
82 1HD ARG 14 2HD ARG 14 2.270 23.691 -5.270
83 2HD ARG 14 1HD ARG 14 3.562 23.885 -6.451
84 HE ARG 14 HE ARG 14 2.098 21.932 -7.654
85 1HH1 ARG 14 2HH1 ARG 14 -0.279 22.297 -6.271
86 2HH1 ARG 14 1HH1 ARG 14 -1.132 23.582 -7.035
87 1HH2 ARG 14 1HH2 ARG 14 1.892 24.690 -8.578
88 2HH2 ARG 14 2HH2 ARG 14 0.218 25.072 -8.457
89 H GLY 15 H GLY 15 3.310 18.628 -2.368
90 1HA GLY 15 2HA GLY 15 1.531 17.884 -0.832
91 2HA GLY 15 1HA GLY 15 0.593 17.358 -2.251
92 H ASN 16 H ASN 16 2.820 16.549 -3.633
93 HA ASN 16 HA ASN 16 4.439 14.967 -4.052
94 1HB ASN 16 2HB ASN 16 5.035 14.860 -1.620
95 2HB ASN 16 1HB ASN 16 3.659 13.777 -1.407
96 1HD2 ASN 16 2HD2 ASN 16 5.850 11.114 -2.045
97 2HD2 ASN 16 1HD2 ASN 16 4.708 11.795 -0.983
98 H THR 17 H THR 17 4.402 12.740 -4.808
99 HA THR 17 HA THR 17 1.664 11.925 -5.447
100 HB THR 17 HB THR 17 3.348 10.241 -6.881
101 HG1 THR 17 HG1 THR 17 5.141 11.322 -7.336
102 1HG2 THR 17 2HG2 THR 17 2.670 13.141 -7.639
103 2HG2 THR 17 1HG2 THR 17 3.107 11.848 -8.754
104 3HG2 THR 17 3HG2 THR 17 1.596 11.766 -7.874
105 H LEU 18 H LEU 18 0.930 10.940 -3.674
106 HA LEU 18 HA LEU 18 1.820 8.168 -3.307
107 1HB LEU 18 2HB LEU 18 2.231 8.291 -0.985
108 2HB LEU 18 1HB LEU 18 3.157 9.585 -1.689
109 HG LEU 18 HG LEU 18 0.519 9.849 -0.217
110 1HD1 LEU 18 2HD1 LEU 18 2.470 9.293 1.188
111 2HD1 LEU 18 1HD1 LEU 18 3.378 10.627 0.503
112 3HD1 LEU 18 3HD1 LEU 18 1.961 10.942 1.498
113 1HD2 LEU 18 2HD2 LEU 18 2.328 12.052 -1.337
114 2HD2 LEU 18 1HD2 LEU 18 0.727 11.664 -1.925
115 3HD2 LEU 18 3HD2 LEU 18 0.923 12.328 -0.325
116 H SER 19 H SER 19 -0.018 7.064 -3.493
117 HA SER 19 HA SER 19 -2.461 8.035 -2.093
118 1HB SER 19 2HB SER 19 -2.353 7.319 -5.072
119 2HB SER 19 1HB SER 19 -3.837 7.630 -4.156
120 HG SER 19 HG SER 19 -1.980 9.573 -3.672
121 H GLY 20 H GLY 20 -0.381 5.670 -2.146
122 1HA GLY 20 2HA GLY 20 -2.291 3.509 -2.200
123 2HA GLY 20 1HA GLY 20 -0.542 3.317 -2.329
124 H THR 21 H THR 21 -1.062 1.766 -0.325
125 HA THR 21 HA THR 21 -0.456 3.258 2.027
126 HB THR 21 HB THR 21 -2.743 1.224 1.983
127 HG1 THR 21 HG1 THR 21 -2.712 3.873 1.311
128 1HG2 THR 21 1HG2 THR 21 -1.685 1.665 4.266
129 2HG2 THR 21 3HG2 THR 21 -2.122 3.358 4.068
130 3HG2 THR 21 2HG2 THR 21 -3.372 2.133 4.161
131 H LEU 22 H LEU 22 0.451 1.967 3.393
132 HA LEU 22 HA LEU 22 1.445 -0.629 2.349
133 1HB LEU 22 2HB LEU 22 3.241 0.799 2.447
134 2HB LEU 22 1HB LEU 22 2.757 1.616 3.919
135 HG LEU 22 HG LEU 22 3.530 -1.331 4.130
136 1HD1 LEU 22 3HD1 LEU 22 5.550 0.944 3.793
137 2HD1 LEU 22 2HD1 LEU 22 5.940 -0.721 4.189
138 3HD1 LEU 22 1HD1 LEU 22 5.277 -0.328 2.617
139 1HD2 LEU 22 3HD2 LEU 22 4.166 1.168 5.769
140 2HD2 LEU 22 2HD2 LEU 22 2.847 0.062 6.114
141 3HD2 LEU 22 1HD2 LEU 22 4.521 -0.479 6.222
142 H TRP 23 H TRP 23 1.489 -2.292 3.540
143 HA TRP 23 HA TRP 23 -0.064 -2.298 6.071
144 1HB TRP 23 2HB TRP 23 0.043 -4.232 3.708
145 2HB TRP 23 1HB TRP 23 -0.648 -4.729 5.246
146 HD1 TRP 23 HD1 TRP 23 -1.383 -2.294 2.232
147 HE1 TRP 23 HE1 TRP 23 -3.700 -1.433 2.642
148 HE3 TRP 23 HE3 TRP 23 -2.300 -4.205 6.853
149 HZ2 TRP 23 HZ2 TRP 23 -5.749 -1.439 4.578
150 HZ3 TRP 23 HZ3 TRP 23 -4.479 -3.681 7.956
151 HH2 TRP 23 HH2 TRP 23 -6.181 -2.347 6.835
152 H LEU 24 H LEU 24 0.861 -3.063 7.735
153 HA LEU 24 HA LEU 24 3.652 -3.981 7.712
154 1HB LEU 24 2HB LEU 24 1.944 -3.732 10.215
155 2HB LEU 24 1HB LEU 24 3.656 -3.443 10.024
156 HG LEU 24 HG LEU 24 1.475 -1.719 8.826
157 1HD1 LEU 24 2HD1 LEU 24 3.278 -1.221 11.247
158 2HD1 LEU 24 1HD1 LEU 24 2.173 -0.041 10.566
159 3HD1 LEU 24 3HD1 LEU 24 1.544 -1.508 11.292
160 1HD2 LEU 24 2HD2 LEU 24 3.611 -1.696 7.557
161 2HD2 LEU 24 1HD2 LEU 24 3.362 -0.142 8.344
162 3HD2 LEU 24 3HD2 LEU 24 4.508 -1.295 9.008
163 H TYR 25 H TYR 25 0.667 -5.112 7.631
164 HA TYR 25 HA TYR 25 0.630 -7.487 9.186
165 1HB TYR 25 2HB TYR 25 -0.640 -6.932 6.456
166 2HB TYR 25 1HB TYR 25 -1.073 -8.285 7.397
167 HD1 TYR 25 HD2 TYR 25 -0.548 -5.489 9.657
168 HD2 TYR 25 HD1 TYR 25 -3.334 -7.376 7.037
169 HE1 TYR 25 HE2 TYR 25 -2.398 -4.383 10.800
170 HE2 TYR 25 HE1 TYR 25 -5.169 -6.277 8.183
171 HH TYR 25 HH TYR 25 -5.710 -5.141 10.163
172 HA PRO 26 HA PRO 26 3.859 -9.599 7.627
173 1HB PRO 26 2HB PRO 26 3.306 -12.259 8.055
174 2HB PRO 26 1HB PRO 26 3.490 -11.127 9.397
175 1HG PRO 26 2HG PRO 26 0.890 -12.002 8.012
176 2HG PRO 26 1HG PRO 26 1.239 -11.999 9.741
177 1HD PRO 26 2HD PRO 26 -0.099 -9.907 8.615
178 2HD PRO 26 1HD PRO 26 1.104 -9.602 9.889
179 H SER 27 H SER 27 1.042 -10.091 6.068
180 HA SER 27 HA SER 27 2.397 -11.338 3.688
181 1HB SER 27 2HB SER 27 0.078 -11.924 2.981
182 2HB SER 27 1HB SER 27 0.538 -12.728 4.493
183 HG SER 27 HG SER 27 -1.362 -10.771 4.097
184 H GLY 28 H GLY 28 1.687 -8.473 4.834
185 1HA GLY 28 2HA GLY 28 1.647 -6.399 3.776
186 2HA GLY 28 1HA GLY 28 1.698 -7.259 2.250
187 H CYS 29 H CYS 29 0.230 -6.919 1.076
188 HA CYS 29 HA CYS 29 -1.956 -5.423 1.493
189 1HB CYS 29 2HB CYS 29 -0.862 -6.407 -0.730
190 2HB CYS 29 1HB CYS 29 -2.256 -7.452 -0.644
191 HA PRO 30 HA PRO 30 -4.631 -8.433 3.489
192 1HB PRO 30 2HB PRO 30 -6.622 -6.716 4.242
193 2HB PRO 30 1HB PRO 30 -5.062 -6.836 5.060
194 1HG PRO 30 2HG PRO 30 -5.950 -4.706 3.081
195 2HG PRO 30 1HG PRO 30 -4.959 -4.585 4.517
196 1HD PRO 30 2HD PRO 30 -4.040 -4.795 1.885
197 2HD PRO 30 1HD PRO 30 -3.057 -5.098 3.351
198 H SER 31 H SER 31 -6.742 -9.130 3.288
199 HA SER 31 HA SER 31 -7.506 -9.452 0.602
200 1HB SER 31 2HB SER 31 -9.306 -11.059 2.044
201 2HB SER 31 1HB SER 31 -7.617 -11.563 1.865
202 HG SER 31 HG SER 31 -8.919 -10.489 4.039
203 H GLY 32 H GLY 32 -8.025 -7.673 0.180
204 1HA GLY 32 2HA GLY 32 -10.547 -6.904 -0.542
205 2HA GLY 32 1HA GLY 32 -10.341 -6.119 1.034
206 H TRP 33 H TRP 33 -7.272 -6.633 -0.510
207 HA TRP 33 HA TRP 33 -7.293 -3.978 -1.691
208 1HB TRP 33 2HB TRP 33 -5.381 -5.388 0.280
209 2HB TRP 33 1HB TRP 33 -4.841 -4.046 -0.699
210 HD1 TRP 33 HD1 TRP 33 -8.056 -4.530 1.605
211 HE1 TRP 33 HE1 TRP 33 -8.260 -2.323 2.768
212 HE3 TRP 33 HE3 TRP 33 -4.055 -2.221 -0.287
213 HZ2 TRP 33 HZ2 TRP 33 -6.833 0.262 2.954
214 HZ3 TRP 33 HZ3 TRP 33 -3.458 0.046 0.318
215 HH2 TRP 33 HH2 TRP 33 -4.811 1.312 1.933
216 H HIS 34 H HIS 34 -4.819 -4.224 -2.761
217 HA HIS 34 HA HIS 34 -4.888 -6.637 -4.359
218 1HB HIS 34 2HB HIS 34 -4.852 -3.796 -5.419
219 2HB HIS 34 1HB HIS 34 -4.587 -5.193 -6.462
220 HD1 HIS 34 HD1 HIS 34 -7.091 -6.586 -4.618
221 HD2 HIS 34 HD2 HIS 34 -7.151 -3.314 -7.056
222 HE1 HIS 34 HE1 HIS 34 -9.435 -6.267 -5.314
223 H ASN 35 H ASN 35 -2.918 -4.298 -5.633
224 HA ASN 35 HA ASN 35 -0.504 -4.597 -4.219
225 1HB ASN 35 2HB ASN 35 0.655 -6.134 -6.024
226 2HB ASN 35 1HB ASN 35 -0.313 -6.903 -4.772
227 1HD2 ASN 35 2HD2 ASN 35 -2.753 -8.076 -7.044
228 2HD2 ASN 35 1HD2 ASN 35 -2.417 -7.735 -5.404
229 H CYS 36 H CYS 36 0.891 -3.060 -4.842
230 HA CYS 36 HA CYS 36 0.979 -2.269 -7.718
231 1HB CYS 36 2HB CYS 36 0.303 -0.056 -7.445
232 2HB CYS 36 1HB CYS 36 -0.872 -1.013 -6.585
233 H LYS 37 H LYS 37 2.777 -3.030 -5.279
234 HA LYS 37 HA LYS 37 5.075 -1.558 -6.271
235 1HB LYS 37 2HB LYS 37 4.236 -1.544 -3.332
236 2HB LYS 37 1HB LYS 37 5.816 -1.050 -3.826
237 1HG LYS 37 2HG LYS 37 3.194 0.285 -4.612
238 2HG LYS 37 1HG LYS 37 4.258 0.872 -3.375
239 1HD LYS 37 2HD LYS 37 4.875 0.787 -6.343
240 2HD LYS 37 1HD LYS 37 4.640 2.186 -5.324
241 1HE LYS 37 2HE LYS 37 6.857 2.282 -5.288
242 2HE LYS 37 1HE LYS 37 6.628 1.174 -3.943
243 1HZ LYS 37 2HZ LYS 37 6.596 -0.287 -6.350
244 2HZ LYS 37 1HZ LYS 37 7.971 0.692 -6.363
245 3HZ LYS 37 3HZ LYS 37 7.700 -0.392 -5.068
246 H ALA 38 H ALA 38 5.039 -3.869 -6.980
247 HA ALA 38 HA ALA 38 5.500 -6.011 -5.128
248 1HB ALA 38 1HB ALA 38 4.710 -6.412 -7.443
249 2HB ALA 38 3HB ALA 38 6.240 -5.815 -8.080
250 3HB ALA 38 2HB ALA 38 6.200 -7.288 -7.140
251 H HIS 39 H HIS 39 7.331 -3.766 -4.697
252 HA HIS 39 HA HIS 39 9.986 -5.095 -5.032
253 1HB HIS 39 2HB HIS 39 9.235 -2.174 -4.640
254 2HB HIS 39 1HB HIS 39 10.864 -2.788 -4.487
255 HD1 HIS 39 HD1 HIS 39 10.981 -1.010 -6.636
256 HD2 HIS 39 HD2 HIS 39 9.299 -4.652 -7.423
257 HE1 HIS 39 HE1 HIS 39 11.025 -1.296 -9.094
258 H GLY 40 H GLY 40 7.622 -4.389 -2.754
259 1HA GLY 40 2HA GLY 40 8.133 -5.555 -0.536
260 2HA GLY 40 1HA GLY 40 9.560 -4.541 -0.515
261 HA PRO 41 HA PRO 41 10.284 -2.987 0.451
262 1HB PRO 41 2HB PRO 41 10.548 -1.431 2.664
263 2HB PRO 41 1HB PRO 41 10.230 -0.732 1.072
264 1HG PRO 41 2HG PRO 41 8.180 -1.459 3.221
265 2HG PRO 41 1HG PRO 41 8.394 0.104 2.430
266 1HD PRO 41 2HD PRO 41 6.538 -1.703 1.461
267 2HD PRO 41 1HD PRO 41 7.475 -0.712 0.336
268 H THR 42 H THR 42 11.661 -4.127 1.733
269 HA THR 42 HA THR 42 10.962 -6.473 2.853
270 HB THR 42 HB THR 42 13.366 -5.094 4.093
271 HG1 THR 42 HG1 THR 42 14.084 -4.499 2.169
272 1HG2 THR 42 3HG2 THR 42 13.044 -7.659 3.963
273 2HG2 THR 42 2HG2 THR 42 13.056 -7.507 2.211
274 3HG2 THR 42 1HG2 THR 42 14.491 -7.101 3.139
275 H ILE 43 H ILE 43 10.151 -3.642 4.516
276 HA ILE 43 HA ILE 43 9.913 -5.204 7.067
277 HB ILE 43 HB ILE 43 10.191 -3.066 8.310
278 1HG1 ILE 43 2HG1 ILE 43 10.888 -1.804 5.609
279 2HG1 ILE 43 1HG1 ILE 43 9.371 -1.537 6.446
280 1HG2 ILE 43 1HG2 ILE 43 12.183 -4.499 7.866
281 2HG2 ILE 43 3HG2 ILE 43 12.477 -3.655 6.354
282 3HG2 ILE 43 2HG2 ILE 43 12.667 -2.818 7.887
283 1HD1 ILE 43 2HD1 ILE 43 10.611 -0.578 8.390
284 2HD1 ILE 43 1HD1 ILE 43 12.135 -0.809 7.548
285 3HD1 ILE 43 3HD1 ILE 43 10.941 0.306 6.914
286 H GLY 44 H GLY 44 8.072 -3.921 4.664
287 1HA GLY 44 2HA GLY 44 5.575 -4.231 6.029
288 2HA GLY 44 1HA GLY 44 5.935 -2.502 5.832
289 H TRP 45 H TRP 45 4.020 -4.316 4.272
290 HA TRP 45 HA TRP 45 5.346 -4.236 1.600
291 1HB TRP 45 2HB TRP 45 2.557 -5.150 2.163
292 2HB TRP 45 1HB TRP 45 3.560 -5.558 0.797
293 HD1 TRP 45 HD1 TRP 45 4.291 -6.140 4.720
294 HE1 TRP 45 HE1 TRP 45 4.685 -8.589 4.889
295 HE3 TRP 45 HE3 TRP 45 3.619 -7.490 -0.074
296 HZ2 TRP 45 HZ2 TRP 45 4.719 -10.975 3.251
297 HZ3 TRP 45 HZ3 TRP 45 3.834 -9.843 -0.778
298 HH2 TRP 45 HH2 TRP 45 4.385 -11.580 0.881
299 H CYS 46 H CYS 46 4.735 -2.819 -0.067
300 HA CYS 46 HA CYS 46 2.764 -0.725 0.730
301 1HB CYS 46 2HB CYS 46 5.025 -0.912 -1.255
302 2HB CYS 46 1HB CYS 46 3.767 0.263 -1.523
303 H CYS 47 H CYS 47 0.796 -0.721 -0.113
304 HA CYS 47 HA CYS 47 0.345 -1.907 -2.746
305 1HB CYS 47 2HB CYS 47 0.208 -3.678 -0.833
306 2HB CYS 47 1HB CYS 47 -1.234 -2.848 -0.312
307 H LYS 48 H LYS 48 -2.391 -2.123 -2.691
308 HA LYS 48 HA LYS 48 -3.452 0.486 -1.842
309 1HB LYS 48 2HB LYS 48 -4.097 1.165 -4.132
310 2HB LYS 48 1HB LYS 48 -2.361 0.973 -4.092
311 1HG LYS 48 2HG LYS 48 -2.652 -1.330 -5.113
312 2HG LYS 48 1HG LYS 48 -4.385 -1.033 -5.223
313 1HD LYS 48 2HD LYS 48 -3.918 1.025 -6.583
314 2HD LYS 48 1HD LYS 48 -2.196 0.668 -6.515
315 1HE LYS 48 2HE LYS 48 -2.689 -1.550 -7.677
316 2HE LYS 48 1HE LYS 48 -4.368 -1.052 -7.808
317 1HZ LYS 48 2HZ LYS 48 -2.761 1.068 -8.761
318 2HZ LYS 48 1HZ LYS 48 -2.241 -0.357 -9.517
319 3HZ LYS 48 3HZ LYS 48 -3.859 0.105 -9.627
320 H GLN 49 H GLN 49 -5.898 0.413 -2.326
321 HA GLN 49 HA GLN 49 -6.827 -2.069 -1.537
322 1HB GLN 49 2HB GLN 49 -7.521 0.621 -1.269
323 2HB GLN 49 1HB GLN 49 -8.636 0.099 -2.533
324 1HG GLN 49 2HG GLN 49 -9.133 -1.804 -1.264
325 2HG GLN 49 1HG GLN 49 -8.061 -1.293 0.028
326 1HE2 GLN 49 2HE2 GLN 49 -11.687 -0.131 0.610
327 2HE2 GLN 49 1HE2 GLN 49 -11.174 -1.583 -0.120
No H/Q in entry = 327
Start of MODEL 13
Raw file had 333 H/Q atoms
Start of MODEL 13
1 1H GLY 1 3H GLY 1 -2.007 6.652 9.547
2 2H GLY 1 2H GLY 1 -3.687 6.456 9.387
3 3H GLY 1 1H GLY 1 -2.850 5.664 10.642
4 1HA GLY 1 2HA GLY 1 -2.439 3.911 9.307
5 2HA GLY 1 1HA GLY 1 -3.311 4.746 7.998
6 H VAL 2 H VAL 2 -1.191 3.465 6.946
7 HA VAL 2 HA VAL 2 0.849 5.620 6.677
8 HB VAL 2 HB VAL 2 1.576 2.682 6.478
9 1HG1 VAL 2 2HG1 VAL 2 3.228 5.201 6.994
10 2HG1 VAL 2 1HG1 VAL 2 3.883 3.581 6.880
11 3HG1 VAL 2 3HG1 VAL 2 3.152 4.320 5.477
12 1HG2 VAL 2 1HG2 VAL 2 1.802 4.405 8.984
13 2HG2 VAL 2 3HG2 VAL 2 0.738 3.019 8.805
14 3HG2 VAL 2 2HG2 VAL 2 2.473 2.794 8.792
15 H SER 3 H SER 3 1.373 6.061 4.719
16 HA SER 3 HA SER 3 0.247 4.530 2.443
17 1HB SER 3 2HB SER 3 0.858 7.490 2.775
18 2HB SER 3 1HB SER 3 0.234 6.775 1.299
19 HG SER 3 HG SER 3 -1.649 6.577 2.223
20 H CYS 4 H CYS 4 1.524 5.140 0.460
21 HA CYS 4 HA CYS 4 4.276 5.765 0.520
22 1HB CYS 4 2HB CYS 4 4.942 3.358 -0.290
23 2HB CYS 4 1HB CYS 4 4.888 3.676 1.417
24 H LEU 5 H LEU 5 5.044 5.441 -1.774
25 HA LEU 5 HA LEU 5 2.825 5.910 -3.584
26 1HB LEU 5 2HB LEU 5 4.529 6.556 -5.060
27 2HB LEU 5 1HB LEU 5 4.834 7.284 -3.529
28 HG LEU 5 HG LEU 5 6.270 4.874 -3.335
29 1HD1 LEU 5 2HD1 LEU 5 6.525 5.905 -6.194
30 2HD1 LEU 5 1HD1 LEU 5 7.542 4.676 -5.462
31 3HD1 LEU 5 3HD1 LEU 5 5.833 4.373 -5.705
32 1HD2 LEU 5 3HD2 LEU 5 7.018 7.135 -2.649
33 2HD2 LEU 5 2HD2 LEU 5 8.259 6.332 -3.605
34 3HD2 LEU 5 1HD2 LEU 5 7.241 7.562 -4.342
35 H CYS 6 H CYS 6 2.495 4.676 -5.439
36 HA CYS 6 HA CYS 6 3.265 1.828 -5.123
37 1HB CYS 6 2HB CYS 6 1.018 3.285 -6.490
38 2HB CYS 6 1HB CYS 6 1.464 1.736 -7.111
39 H ASP 7 H ASP 7 4.006 0.812 -7.293
40 HA ASP 7 HA ASP 7 6.074 2.405 -8.411
41 1HB ASP 7 2HB ASP 7 4.670 -0.096 -9.520
42 2HB ASP 7 1HB ASP 7 6.130 0.580 -10.217
43 H SER 8 H SER 8 2.800 2.245 -9.060
44 HA SER 8 HA SER 8 2.570 3.290 -11.690
45 1HB SER 8 2HB SER 8 0.288 4.203 -10.582
46 2HB SER 8 1HB SER 8 0.526 2.451 -10.722
47 HG SER 8 HG SER 8 1.076 4.130 -8.450
48 H ASP 9 H ASP 9 3.482 4.689 -8.772
49 HA ASP 9 HA ASP 9 3.076 7.451 -9.622
50 1HB ASP 9 2HB ASP 9 4.319 6.256 -7.097
51 2HB ASP 9 1HB ASP 9 3.943 7.954 -7.276
52 H GLY 10 H GLY 10 5.144 5.325 -10.341
53 1HA GLY 10 2HA GLY 10 7.354 5.192 -11.140
54 2HA GLY 10 1HA GLY 10 7.031 6.805 -11.720
55 HA PRO 11 HA PRO 11 10.840 6.880 -9.555
56 1HB PRO 11 2HB PRO 11 12.019 9.057 -10.598
57 2HB PRO 11 1HB PRO 11 11.526 7.715 -11.640
58 1HG PRO 11 2HG PRO 11 9.902 10.252 -10.998
59 2HG PRO 11 1HG PRO 11 10.356 9.655 -12.596
60 1HD PRO 11 2HD PRO 11 7.914 9.011 -11.450
61 2HD PRO 11 1HD PRO 11 8.777 7.847 -12.482
62 H SER 12 H SER 12 11.906 7.607 -7.737
63 HA SER 12 HA SER 12 10.400 9.508 -6.099
64 1HB SER 12 2HB SER 12 12.157 8.766 -4.439
65 2HB SER 12 1HB SER 12 10.979 7.574 -5.081
66 HG SER 12 HG SER 12 13.734 7.911 -5.682
67 H VAL 13 H VAL 13 10.868 11.064 -7.381
68 HA VAL 13 HA VAL 13 13.581 12.379 -7.324
69 HB VAL 13 HB VAL 13 11.090 13.416 -8.688
70 1HG1 VAL 13 1HG1 VAL 13 14.052 13.854 -9.325
71 2HG1 VAL 13 3HG1 VAL 13 12.719 14.527 -10.251
72 3HG1 VAL 13 2HG1 VAL 13 12.984 15.043 -8.602
73 1HG2 VAL 13 3HG2 VAL 13 13.149 11.482 -9.880
74 2HG2 VAL 13 2HG2 VAL 13 11.461 11.118 -9.559
75 3HG2 VAL 13 1HG2 VAL 13 11.887 12.272 -10.808
76 H ARG 14 H ARG 14 11.819 12.039 -5.105
77 HA ARG 14 HA ARG 14 11.195 13.065 -3.150
78 1HB ARG 14 2HB ARG 14 13.384 14.198 -3.438
79 2HB ARG 14 1HB ARG 14 12.688 15.407 -4.476
80 1HG ARG 14 2HG ARG 14 11.606 15.086 -1.710
81 2HG ARG 14 1HG ARG 14 13.162 15.862 -1.959
82 1HD ARG 14 2HD ARG 14 12.030 17.421 -3.670
83 2HD ARG 14 1HD ARG 14 10.477 16.776 -3.188
84 HE ARG 14 HE ARG 14 11.711 17.586 -0.788
85 1HH1 ARG 14 2HH1 ARG 14 12.891 19.612 -2.461
86 2HH1 ARG 14 1HH1 ARG 14 11.771 20.924 -2.469
87 1HH2 ARG 14 1HH2 ARG 14 9.214 18.700 -1.311
88 2HH2 ARG 14 2HH2 ARG 14 9.476 20.350 -1.733
89 H GLY 15 H GLY 15 9.576 14.556 -2.292
90 1HA GLY 15 2HA GLY 15 7.500 15.714 -2.431
91 2HA GLY 15 1HA GLY 15 8.023 16.289 -4.024
92 H ASN 16 H ASN 16 7.935 12.975 -3.148
93 HA ASN 16 HA ASN 16 6.275 12.255 -5.394
94 1HB ASN 16 2HB ASN 16 6.509 9.905 -4.381
95 2HB ASN 16 1HB ASN 16 8.043 10.725 -4.638
96 1HD2 ASN 16 2HD2 ASN 16 7.025 9.808 -0.898
97 2HD2 ASN 16 1HD2 ASN 16 6.090 9.260 -2.214
98 H THR 17 H THR 17 4.504 10.718 -5.163
99 HA THR 17 HA THR 17 2.390 11.826 -3.523
100 HB THR 17 HB THR 17 1.102 10.319 -5.343
101 HG1 THR 17 HG1 THR 17 2.536 9.237 -6.438
102 1HG2 THR 17 2HG2 THR 17 1.516 12.921 -5.570
103 2HG2 THR 17 1HG2 THR 17 3.043 12.510 -6.332
104 3HG2 THR 17 3HG2 THR 17 1.529 12.042 -7.087
105 H LEU 18 H LEU 18 1.608 10.832 -1.731
106 HA LEU 18 HA LEU 18 2.288 8.010 -1.204
107 1HB LEU 18 2HB LEU 18 1.235 10.388 0.378
108 2HB LEU 18 1HB LEU 18 0.877 8.798 0.983
109 HG LEU 18 HG LEU 18 3.252 8.228 0.698
110 1HD1 LEU 18 1HD1 LEU 18 3.657 11.216 0.253
111 2HD1 LEU 18 3HD1 LEU 18 4.962 10.088 0.576
112 3HD1 LEU 18 2HD1 LEU 18 4.026 9.935 -0.888
113 1HD2 LEU 18 3HD2 LEU 18 2.692 10.541 2.626
114 2HD2 LEU 18 2HD2 LEU 18 2.455 8.836 2.972
115 3HD2 LEU 18 1HD2 LEU 18 4.072 9.471 2.769
116 H SER 19 H SER 19 0.979 7.757 -3.225
117 HA SER 19 HA SER 19 -1.920 7.844 -2.893
118 1HB SER 19 2HB SER 19 -0.838 8.116 -5.177
119 2HB SER 19 1HB SER 19 -0.384 6.411 -5.133
120 HG SER 19 HG SER 19 -2.866 6.369 -4.371
121 H GLY 20 H GLY 20 0.413 5.226 -2.288
122 1HA GLY 20 2HA GLY 20 -1.737 3.321 -2.292
123 2HA GLY 20 1HA GLY 20 -0.041 2.947 -2.090
124 H THR 21 H THR 21 -0.921 1.539 -0.287
125 HA THR 21 HA THR 21 -0.900 3.004 2.193
126 HB THR 21 HB THR 21 -2.629 0.573 1.889
127 HG1 THR 21 HG1 THR 21 -2.986 3.072 0.740
128 1HG2 THR 21 3HG2 THR 21 -2.223 1.645 4.168
129 2HG2 THR 21 2HG2 THR 21 -2.952 3.120 3.562
130 3HG2 THR 21 1HG2 THR 21 -3.917 1.659 3.718
131 H LEU 22 H LEU 22 0.256 1.961 3.521
132 HA LEU 22 HA LEU 22 1.637 -0.512 2.591
133 1HB LEU 22 2HB LEU 22 3.141 1.080 3.030
134 2HB LEU 22 1HB LEU 22 2.443 1.671 4.524
135 HG LEU 22 HG LEU 22 3.200 -1.153 4.859
136 1HD1 LEU 22 2HD1 LEU 22 4.620 -0.856 2.835
137 2HD1 LEU 22 1HD1 LEU 22 5.422 0.499 3.600
138 3HD1 LEU 22 3HD1 LEU 22 5.593 -1.110 4.273
139 1HD2 LEU 22 2HD2 LEU 22 3.240 0.643 6.597
140 2HD2 LEU 22 1HD2 LEU 22 4.767 -0.226 6.522
141 3HD2 LEU 22 3HD2 LEU 22 4.625 1.366 5.796
142 H TRP 23 H TRP 23 1.392 -2.220 3.559
143 HA TRP 23 HA TRP 23 -0.379 -2.424 5.947
144 1HB TRP 23 2HB TRP 23 0.003 -4.150 3.492
145 2HB TRP 23 1HB TRP 23 -0.664 -4.884 4.960
146 HD1 TRP 23 HD1 TRP 23 -1.702 -2.532 2.072
147 HE1 TRP 23 HE1 TRP 23 -4.040 -1.781 2.597
148 HE3 TRP 23 HE3 TRP 23 -2.151 -4.341 6.749
149 HZ2 TRP 23 HZ2 TRP 23 -5.959 -1.875 4.748
150 HZ3 TRP 23 HZ3 TRP 23 -4.224 -3.990 8.034
151 HH2 TRP 23 HH2 TRP 23 -6.129 -2.774 7.037
152 H LEU 24 H LEU 24 0.372 -3.104 7.675
153 HA LEU 24 HA LEU 24 3.136 -4.039 7.970
154 1HB LEU 24 2HB LEU 24 1.246 -3.782 10.318
155 2HB LEU 24 1HB LEU 24 2.949 -3.412 10.223
156 HG LEU 24 HG LEU 24 0.781 -1.818 8.842
157 1HD1 LEU 24 3HD1 LEU 24 0.663 -1.556 11.316
158 2HD1 LEU 24 2HD1 LEU 24 2.372 -1.174 11.372
159 3HD1 LEU 24 1HD1 LEU 24 1.253 -0.072 10.594
160 1HD2 LEU 24 2HD2 LEU 24 3.762 -1.237 9.216
161 2HD2 LEU 24 1HD2 LEU 24 2.990 -1.654 7.696
162 3HD2 LEU 24 3HD2 LEU 24 2.608 -0.137 8.486
163 H TYR 25 H TYR 25 0.182 -5.228 7.596
164 HA TYR 25 HA TYR 25 0.180 -7.603 9.244
165 1HB TYR 25 2HB TYR 25 -1.125 -7.017 6.537
166 2HB TYR 25 1HB TYR 25 -1.409 -8.492 7.343
167 HD1 TYR 25 HD2 TYR 25 -1.176 -6.096 9.989
168 HD2 TYR 25 HD1 TYR 25 -3.784 -7.532 6.942
169 HE1 TYR 25 HE2 TYR 25 -3.087 -5.293 11.243
170 HE2 TYR 25 HE1 TYR 25 -5.710 -6.716 8.208
171 HH TYR 25 HH TYR 25 -5.323 -4.961 11.275
172 HA PRO 26 HA PRO 26 3.486 -9.561 7.865
173 1HB PRO 26 2HB PRO 26 2.971 -12.283 7.875
174 2HB PRO 26 1HB PRO 26 3.012 -11.321 9.354
175 1HG PRO 26 2HG PRO 26 0.562 -12.046 7.638
176 2HG PRO 26 1HG PRO 26 0.753 -12.254 9.379
177 1HD PRO 26 2HD PRO 26 -0.532 -10.068 8.415
178 2HD PRO 26 1HD PRO 26 0.580 -9.875 9.790
179 H SER 27 H SER 27 0.958 -9.890 5.849
180 HA SER 27 HA SER 27 2.755 -10.691 3.569
181 1HB SER 27 2HB SER 27 0.580 -11.562 2.543
182 2HB SER 27 1HB SER 27 1.281 -12.524 3.853
183 HG SER 27 HG SER 27 -0.579 -12.173 4.804
184 H GLY 28 H GLY 28 1.316 -8.198 4.847
185 1HA GLY 28 2HA GLY 28 1.072 -6.052 3.981
186 2HA GLY 28 1HA GLY 28 1.330 -6.741 2.383
187 H CYS 29 H CYS 29 -0.089 -6.441 1.171
188 HA CYS 29 HA CYS 29 -2.473 -5.327 1.318
189 1HB CYS 29 2HB CYS 29 -1.058 -6.379 -0.700
190 2HB CYS 29 1HB CYS 29 -2.383 -7.513 -0.663
191 HA PRO 30 HA PRO 30 -4.809 -8.594 3.436
192 1HB PRO 30 2HB PRO 30 -6.714 -6.965 4.520
193 2HB PRO 30 1HB PRO 30 -5.088 -7.150 5.186
194 1HG PRO 30 2HG PRO 30 -6.154 -4.803 3.595
195 2HG PRO 30 1HG PRO 30 -4.922 -4.900 4.833
196 1HD PRO 30 2HD PRO 30 -4.521 -4.868 2.014
197 2HD PRO 30 1HD PRO 30 -3.282 -5.143 3.260
198 H SER 31 H SER 31 -6.211 -9.752 2.506
199 HA SER 31 HA SER 31 -7.312 -9.573 0.032
200 1HB SER 31 2HB SER 31 -8.729 -10.969 2.398
201 2HB SER 31 1HB SER 31 -8.652 -11.551 0.721
202 HG SER 31 HG SER 31 -6.802 -12.455 1.348
203 H GLY 32 H GLY 32 -8.285 -8.049 -0.669
204 1HA GLY 32 2HA GLY 32 -10.723 -7.171 -0.876
205 2HA GLY 32 1HA GLY 32 -10.386 -6.545 0.759
206 H TRP 33 H TRP 33 -7.403 -6.666 -0.560
207 HA TRP 33 HA TRP 33 -7.492 -3.979 -1.662
208 1HB TRP 33 2HB TRP 33 -5.429 -5.594 0.017
209 2HB TRP 33 1HB TRP 33 -4.952 -4.146 -0.818
210 HD1 TRP 33 HD1 TRP 33 -7.875 -5.012 1.677
211 HE1 TRP 33 HE1 TRP 33 -8.076 -2.890 3.018
212 HE3 TRP 33 HE3 TRP 33 -4.244 -2.262 -0.449
213 HZ2 TRP 33 HZ2 TRP 33 -6.835 -0.213 3.215
214 HZ3 TRP 33 HZ3 TRP 33 -3.765 -0.001 0.254
215 HH2 TRP 33 HH2 TRP 33 -5.024 1.035 2.030
216 H HIS 34 H HIS 34 -4.939 -4.295 -2.818
217 HA HIS 34 HA HIS 34 -5.246 -6.497 -4.657
218 1HB HIS 34 2HB HIS 34 -5.212 -3.538 -5.379
219 2HB HIS 34 1HB HIS 34 -4.892 -4.780 -6.603
220 HD1 HIS 34 HD1 HIS 34 -7.719 -3.164 -5.026
221 HD2 HIS 34 HD2 HIS 34 -6.967 -6.812 -6.674
222 HE1 HIS 34 HE1 HIS 34 -9.912 -4.155 -5.515
223 H ASN 35 H ASN 35 -3.106 -4.366 -5.976
224 HA ASN 35 HA ASN 35 -0.809 -4.810 -4.384
225 1HB ASN 35 2HB ASN 35 0.363 -6.572 -5.772
226 2HB ASN 35 1HB ASN 35 -1.085 -7.205 -5.023
227 1HD2 ASN 35 2HD2 ASN 35 -1.055 -6.852 -9.091
228 2HD2 ASN 35 1HD2 ASN 35 0.044 -5.891 -8.230
229 H CYS 36 H CYS 36 0.818 -3.528 -4.973
230 HA CYS 36 HA CYS 36 0.991 -2.706 -7.847
231 1HB CYS 36 2HB CYS 36 1.104 -0.377 -7.263
232 2HB CYS 36 1HB CYS 36 -0.396 -1.027 -6.671
233 H LYS 37 H LYS 37 2.428 -2.204 -4.661
234 HA LYS 37 HA LYS 37 5.084 -1.994 -5.826
235 1HB LYS 37 2HB LYS 37 4.034 -1.890 -3.016
236 2HB LYS 37 1HB LYS 37 5.696 -1.761 -3.314
237 1HG LYS 37 2HG LYS 37 3.555 0.106 -4.324
238 2HG LYS 37 1HG LYS 37 4.671 0.511 -3.036
239 1HD LYS 37 2HD LYS 37 5.421 0.089 -5.948
240 2HD LYS 37 1HD LYS 37 5.496 1.585 -5.044
241 1HE LYS 37 2HE LYS 37 7.278 0.750 -3.606
242 2HE LYS 37 1HE LYS 37 7.186 -0.854 -4.315
243 1HZ LYS 37 3HZ LYS 37 7.465 0.979 -6.402
244 2HZ LYS 37 2HZ LYS 37 8.677 1.324 -5.270
245 3HZ LYS 37 1HZ LYS 37 8.480 -0.214 -6.004
246 H ALA 38 H ALA 38 4.638 -4.187 -6.664
247 HA ALA 38 HA ALA 38 4.762 -6.450 -4.864
248 1HB ALA 38 2HB ALA 38 5.602 -6.256 -7.797
249 2HB ALA 38 1HB ALA 38 5.342 -7.752 -6.918
250 3HB ALA 38 3HB ALA 38 3.989 -6.683 -7.246
251 H HIS 39 H HIS 39 6.943 -4.144 -5.240
252 HA HIS 39 HA HIS 39 9.321 -5.908 -4.865
253 1HB HIS 39 2HB HIS 39 9.042 -3.148 -6.071
254 2HB HIS 39 1HB HIS 39 10.569 -3.735 -5.449
255 HD1 HIS 39 HD1 HIS 39 11.600 -4.037 -7.777
256 HD2 HIS 39 HD2 HIS 39 8.100 -6.121 -7.484
257 HE1 HIS 39 HE1 HIS 39 11.457 -5.470 -9.786
258 H GLY 40 H GLY 40 7.404 -3.765 -3.016
259 1HA GLY 40 2HA GLY 40 8.267 -3.948 -0.578
260 2HA GLY 40 1HA GLY 40 9.716 -3.222 -1.237
261 HA PRO 41 HA PRO 41 10.489 -1.294 -0.152
262 1HB PRO 41 2HB PRO 41 10.514 -0.123 2.299
263 2HB PRO 41 1HB PRO 41 10.054 0.805 0.862
264 1HG PRO 41 2HG PRO 41 8.171 -0.666 2.808
265 2HG PRO 41 1HG PRO 41 8.116 1.029 2.341
266 1HD PRO 41 2HD PRO 41 6.607 -0.888 1.018
267 2HD PRO 41 1HD PRO 41 7.252 0.506 0.132
268 H THR 42 H THR 42 11.932 -1.953 1.716
269 HA THR 42 HA THR 42 11.346 -4.730 2.319
270 HB THR 42 HB THR 42 13.792 -3.161 3.306
271 HG1 THR 42 HG1 THR 42 14.210 -4.097 0.873
272 1HG2 THR 42 2HG2 THR 42 13.458 -5.924 1.970
273 2HG2 THR 42 1HG2 THR 42 14.946 -5.285 2.667
274 3HG2 THR 42 3HG2 THR 42 13.590 -5.685 3.702
275 H ILE 43 H ILE 43 9.758 -2.610 3.689
276 HA ILE 43 HA ILE 43 9.972 -3.693 6.433
277 HB ILE 43 HB ILE 43 9.869 -0.655 5.938
278 1HG1 ILE 43 2HG1 ILE 43 12.222 -2.341 6.980
279 2HG1 ILE 43 1HG1 ILE 43 12.173 -1.586 5.403
280 1HG2 ILE 43 2HG2 ILE 43 8.723 -1.459 8.022
281 2HG2 ILE 43 1HG2 ILE 43 10.193 -2.277 8.523
282 3HG2 ILE 43 3HG2 ILE 43 10.135 -0.527 8.438
283 1HD1 ILE 43 2HD1 ILE 43 12.024 0.665 6.471
284 2HD1 ILE 43 1HD1 ILE 43 12.145 -0.087 8.055
285 3HD1 ILE 43 3HD1 ILE 43 13.482 -0.196 6.935
286 H GLY 44 H GLY 44 7.983 -4.628 6.208
287 1HA GLY 44 2HA GLY 44 5.580 -4.621 6.386
288 2HA GLY 44 1HA GLY 44 5.599 -2.863 6.114
289 H TRP 45 H TRP 45 3.772 -3.761 4.432
290 HA TRP 45 HA TRP 45 5.241 -4.320 1.850
291 1HB TRP 45 2HB TRP 45 2.451 -5.122 2.535
292 2HB TRP 45 1HB TRP 45 3.290 -5.556 1.064
293 HD1 TRP 45 HD1 TRP 45 3.594 -6.318 4.943
294 HE1 TRP 45 HE1 TRP 45 4.394 -8.714 5.029
295 HE3 TRP 45 HE3 TRP 45 4.222 -7.271 0.030
296 HZ2 TRP 45 HZ2 TRP 45 5.196 -10.834 3.312
297 HZ3 TRP 45 HZ3 TRP 45 5.017 -9.490 -0.745
298 HH2 TRP 45 HH2 TRP 45 5.507 -11.264 0.896
299 H CYS 46 H CYS 46 4.408 -3.135 -0.027
300 HA CYS 46 HA CYS 46 2.494 -0.976 0.779
301 1HB CYS 46 2HB CYS 46 4.899 -1.049 -1.021
302 2HB CYS 46 1HB CYS 46 3.607 0.072 -1.397
303 H CYS 47 H CYS 47 0.632 -0.957 -0.136
304 HA CYS 47 HA CYS 47 0.196 -2.165 -2.765
305 1HB CYS 47 2HB CYS 47 -0.011 -3.944 -0.887
306 2HB CYS 47 1HB CYS 47 -1.457 -3.102 -0.383
307 H LYS 48 H LYS 48 -2.511 -2.240 -2.759
308 HA LYS 48 HA LYS 48 -3.495 0.357 -1.747
309 1HB LYS 48 2HB LYS 48 -4.147 1.046 -4.118
310 2HB LYS 48 1HB LYS 48 -2.416 1.007 -3.875
311 1HG LYS 48 2HG LYS 48 -2.061 -0.944 -5.094
312 2HG LYS 48 1HG LYS 48 -3.692 -1.548 -4.898
313 1HD LYS 48 2HD LYS 48 -3.009 0.936 -6.507
314 2HD LYS 48 1HD LYS 48 -3.083 -0.662 -7.216
315 1HE LYS 48 2HE LYS 48 -5.442 -0.916 -6.758
316 2HE LYS 48 1HE LYS 48 -5.475 0.396 -5.603
317 1HZ LYS 48 3HZ LYS 48 -4.552 1.386 -8.072
318 2HZ LYS 48 2HZ LYS 48 -6.003 0.520 -8.330
319 3HZ LYS 48 1HZ LYS 48 -5.955 1.786 -7.188
320 H GLN 49 H GLN 49 -5.949 0.388 -2.057
321 HA GLN 49 HA GLN 49 -6.804 -2.218 -1.709
322 1HB GLN 49 2HB GLN 49 -7.693 0.309 -0.861
323 2HB GLN 49 1HB GLN 49 -8.835 -0.037 -2.175
324 1HG GLN 49 2HG GLN 49 -8.807 -2.378 -1.284
325 2HG GLN 49 1HG GLN 49 -8.078 -1.685 0.151
326 1HE2 GLN 49 2HE2 GLN 49 -11.790 -2.133 0.436
327 2HE2 GLN 49 1HE2 GLN 49 -10.585 -3.147 -0.235
No H/Q in entry = 327
Start of MODEL 14
Raw file had 333 H/Q atoms
Start of MODEL 14
1 1H GLY 1 1H GLY 1 -2.534 6.537 9.720
2 2H GLY 1 3H GLY 1 -4.190 6.333 9.396
3 3H GLY 1 2H GLY 1 -3.451 5.453 10.651
4 1HA GLY 1 2HA GLY 1 -2.889 3.817 9.241
5 2HA GLY 1 1HA GLY 1 -3.664 4.730 7.924
6 H VAL 2 H VAL 2 -1.499 3.587 6.930
7 HA VAL 2 HA VAL 2 0.477 5.774 6.760
8 HB VAL 2 HB VAL 2 1.373 2.867 6.982
9 1HG1 VAL 2 3HG1 VAL 2 2.882 5.512 7.204
10 2HG1 VAL 2 2HG1 VAL 2 3.610 3.924 7.350
11 3HG1 VAL 2 1HG1 VAL 2 2.918 4.424 5.826
12 1HG2 VAL 2 3HG2 VAL 2 1.387 4.928 9.229
13 2HG2 VAL 2 2HG2 VAL 2 0.404 3.474 9.205
14 3HG2 VAL 2 1HG2 VAL 2 2.145 3.344 9.314
15 H SER 3 H SER 3 1.307 5.905 4.671
16 HA SER 3 HA SER 3 0.603 3.805 2.763
17 1HB SER 3 2HB SER 3 0.013 6.807 2.571
18 2HB SER 3 1HB SER 3 -0.141 5.701 1.237
19 HG SER 3 HG SER 3 -1.951 5.115 2.043
20 H CYS 4 H CYS 4 1.513 4.547 0.553
21 HA CYS 4 HA CYS 4 4.094 5.848 0.605
22 1HB CYS 4 2HB CYS 4 5.112 3.503 -0.218
23 2HB CYS 4 1HB CYS 4 5.085 3.964 1.463
24 H LEU 5 H LEU 5 5.134 5.671 -1.598
25 HA LEU 5 HA LEU 5 3.281 6.151 -3.679
26 1HB LEU 5 2HB LEU 5 5.814 6.927 -3.067
27 2HB LEU 5 1HB LEU 5 6.202 5.573 -4.118
28 HG LEU 5 HG LEU 5 4.339 7.782 -4.807
29 1HD1 LEU 5 1HD1 LEU 5 7.307 7.464 -5.460
30 2HD1 LEU 5 3HD1 LEU 5 6.330 8.723 -6.170
31 3HD1 LEU 5 2HD1 LEU 5 6.637 8.719 -4.435
32 1HD2 LEU 5 1HD2 LEU 5 5.918 5.803 -6.567
33 2HD2 LEU 5 3HD2 LEU 5 4.187 5.747 -6.308
34 3HD2 LEU 5 2HD2 LEU 5 4.898 7.057 -7.222
35 H CYS 6 H CYS 6 2.467 4.813 -5.168
36 HA CYS 6 HA CYS 6 3.282 1.960 -5.108
37 1HB CYS 6 2HB CYS 6 0.836 3.432 -5.812
38 2HB CYS 6 1HB CYS 6 1.113 1.997 -6.753
39 H ASP 7 H ASP 7 3.603 0.822 -7.092
40 HA ASP 7 HA ASP 7 5.312 2.056 -9.028
41 1HB ASP 7 2HB ASP 7 4.198 -0.696 -8.588
42 2HB ASP 7 1HB ASP 7 4.479 -0.311 -10.264
43 H SER 8 H SER 8 2.024 2.275 -8.853
44 HA SER 8 HA SER 8 1.714 2.623 -11.808
45 1HB SER 8 2HB SER 8 -0.804 2.569 -11.178
46 2HB SER 8 1HB SER 8 0.063 1.045 -11.017
47 HG SER 8 HG SER 8 -0.096 2.865 -8.828
48 H ASP 9 H ASP 9 2.685 4.434 -9.470
49 HA ASP 9 HA ASP 9 0.965 6.742 -10.079
50 1HB ASP 9 2HB ASP 9 2.985 6.417 -7.850
51 2HB ASP 9 1HB ASP 9 1.729 7.633 -7.917
52 H GLY 10 H GLY 10 3.553 5.598 -11.222
53 1HA GLY 10 2HA GLY 10 4.638 7.035 -12.976
54 2HA GLY 10 1HA GLY 10 4.847 8.236 -11.705
55 HA PRO 11 HA PRO 11 8.764 5.929 -11.866
56 1HB PRO 11 2HB PRO 11 10.504 7.945 -11.428
57 2HB PRO 11 1HB PRO 11 9.602 7.882 -12.947
58 1HG PRO 11 2HG PRO 11 8.924 9.492 -10.419
59 2HG PRO 11 1HG PRO 11 8.997 10.059 -12.086
60 1HD PRO 11 2HD PRO 11 6.614 9.268 -10.885
61 2HD PRO 11 1HD PRO 11 6.874 9.121 -12.638
62 H SER 12 H SER 12 10.702 5.676 -10.188
63 HA SER 12 HA SER 12 9.414 5.456 -7.558
64 1HB SER 12 2HB SER 12 11.943 4.409 -7.269
65 2HB SER 12 1HB SER 12 10.578 3.478 -7.920
66 HG SER 12 HG SER 12 11.924 3.394 -9.608
67 H VAL 13 H VAL 13 9.563 7.122 -6.214
68 HA VAL 13 HA VAL 13 12.042 8.366 -5.473
69 HB VAL 13 HB VAL 13 11.783 9.541 -7.646
70 1HG1 VAL 13 2HG1 VAL 13 9.354 9.153 -7.986
71 2HG1 VAL 13 1HG1 VAL 13 8.974 10.305 -6.717
72 3HG1 VAL 13 3HG1 VAL 13 9.739 10.848 -8.200
73 1HG2 VAL 13 2HG2 VAL 13 12.548 11.052 -5.793
74 2HG2 VAL 13 1HG2 VAL 13 11.651 11.889 -7.038
75 3HG2 VAL 13 3HG2 VAL 13 10.877 11.551 -5.519
76 H ARG 14 H ARG 14 11.271 10.479 -4.071
77 HA ARG 14 HA ARG 14 8.730 9.804 -2.682
78 1HB ARG 14 2HB ARG 14 9.973 10.373 -0.518
79 2HB ARG 14 1HB ARG 14 10.506 8.884 -1.272
80 1HG ARG 14 2HG ARG 14 12.429 10.126 -2.316
81 2HG ARG 14 1HG ARG 14 11.889 11.600 -1.528
82 1HD ARG 14 2HD ARG 14 12.263 10.610 0.692
83 2HD ARG 14 1HD ARG 14 12.661 9.052 -0.021
84 HE ARG 14 HE ARG 14 14.302 11.519 -0.567
85 1HH1 ARG 14 1HH2 ARG 14 14.885 9.055 -2.022
86 2HH1 ARG 14 2HH2 ARG 14 16.136 8.297 -1.113
87 1HH2 ARG 14 2HH1 ARG 14 15.365 10.330 1.711
88 2HH2 ARG 14 1HH1 ARG 14 16.425 9.080 1.188
89 H GLY 15 H GLY 15 7.561 11.627 -2.310
90 1HA GLY 15 2HA GLY 15 7.746 14.139 -1.730
91 2HA GLY 15 1HA GLY 15 8.768 14.247 -3.169
92 H ASN 16 H ASN 16 7.217 12.165 -4.451
93 HA ASN 16 HA ASN 16 5.352 13.712 -5.973
94 1HB ASN 16 2HB ASN 16 6.382 11.773 -7.010
95 2HB ASN 16 1HB ASN 16 5.911 10.721 -5.686
96 1HD2 ASN 16 2HD2 ASN 16 3.119 9.785 -7.588
97 2HD2 ASN 16 1HD2 ASN 16 4.437 9.246 -6.667
98 H THR 17 H THR 17 4.529 10.861 -4.192
99 HA THR 17 HA THR 17 2.748 11.944 -2.304
100 HB THR 17 HB THR 17 1.307 12.621 -4.311
101 HG1 THR 17 HG1 THR 17 -0.412 10.916 -3.474
102 1HG2 THR 17 2HG2 THR 17 1.057 9.587 -4.749
103 2HG2 THR 17 1HG2 THR 17 0.222 10.835 -5.653
104 3HG2 THR 17 3HG2 THR 17 1.953 10.659 -5.803
105 H LEU 18 H LEU 18 0.994 9.970 -1.919
106 HA LEU 18 HA LEU 18 2.375 7.363 -2.214
107 1HB LEU 18 2HB LEU 18 2.100 6.959 0.242
108 2HB LEU 18 1HB LEU 18 3.403 8.028 -0.216
109 HG LEU 18 HG LEU 18 0.687 8.927 0.766
110 1HD1 LEU 18 3HD1 LEU 18 1.950 7.576 2.505
111 2HD1 LEU 18 2HD1 LEU 18 3.356 8.583 2.266
112 3HD1 LEU 18 1HD1 LEU 18 1.903 9.261 2.984
113 1HD2 LEU 18 3HD2 LEU 18 3.384 10.416 0.626
114 2HD2 LEU 18 2HD2 LEU 18 1.991 10.778 -0.375
115 3HD2 LEU 18 1HD2 LEU 18 1.917 11.059 1.332
116 H SER 19 H SER 19 0.358 7.789 -3.593
117 HA SER 19 HA SER 19 -2.246 7.661 -2.873
118 1HB SER 19 2HB SER 19 -1.266 5.884 -5.116
119 2HB SER 19 1HB SER 19 -2.591 7.054 -5.128
120 HG SER 19 HG SER 19 -0.072 7.395 -5.772
121 H GLY 20 H GLY 20 -0.043 4.855 -2.697
122 1HA GLY 20 2HA GLY 20 -2.245 3.077 -2.317
123 2HA GLY 20 1HA GLY 20 -0.560 2.635 -2.136
124 H THR 21 H THR 21 -0.997 1.459 -0.127
125 HA THR 21 HA THR 21 -1.049 3.120 2.193
126 HB THR 21 HB THR 21 -2.806 0.677 1.963
127 HG1 THR 21 HG1 THR 21 -3.191 3.260 1.080
128 1HG2 THR 21 3HG2 THR 21 -2.768 2.999 3.937
129 2HG2 THR 21 2HG2 THR 21 -3.838 1.601 4.012
130 3HG2 THR 21 1HG2 THR 21 -2.114 1.405 4.276
131 H LEU 22 H LEU 22 0.063 1.976 3.684
132 HA LEU 22 HA LEU 22 1.609 -0.354 2.633
133 1HB LEU 22 2HB LEU 22 3.039 1.287 3.154
134 2HB LEU 22 1HB LEU 22 2.264 1.817 4.624
135 HG LEU 22 HG LEU 22 3.225 -0.984 4.880
136 1HD1 LEU 22 2HD1 LEU 22 5.337 1.001 3.958
137 2HD1 LEU 22 1HD1 LEU 22 5.642 -0.630 4.532
138 3HD1 LEU 22 3HD1 LEU 22 4.788 -0.372 3.017
139 1HD2 LEU 22 1HD2 LEU 22 2.914 0.668 6.722
140 2HD2 LEU 22 3HD2 LEU 22 4.537 -0.010 6.726
141 3HD2 LEU 22 2HD2 LEU 22 4.257 1.608 6.101
142 H TRP 23 H TRP 23 1.582 -2.147 3.604
143 HA TRP 23 HA TRP 23 -0.255 -2.446 5.951
144 1HB TRP 23 2HB TRP 23 0.188 -4.140 3.476
145 2HB TRP 23 1HB TRP 23 -0.433 -4.913 4.940
146 HD1 TRP 23 HD1 TRP 23 -1.637 -2.592 2.056
147 HE1 TRP 23 HE1 TRP 23 -4.004 -1.975 2.604
148 HE3 TRP 23 HE3 TRP 23 -1.965 -4.423 6.740
149 HZ2 TRP 23 HZ2 TRP 23 -5.892 -2.161 4.732
150 HZ3 TRP 23 HZ3 TRP 23 -4.045 -4.169 8.037
151 HH2 TRP 23 HH2 TRP 23 -6.019 -3.057 7.037
152 H LEU 24 H LEU 24 0.482 -3.140 7.669
153 HA LEU 24 HA LEU 24 3.293 -3.903 8.021
154 1HB LEU 24 2HB LEU 24 1.252 -3.763 10.273
155 2HB LEU 24 1HB LEU 24 2.958 -3.405 10.323
156 HG LEU 24 HG LEU 24 0.905 -1.753 8.835
157 1HD1 LEU 24 1HD1 LEU 24 2.362 -1.183 11.467
158 2HD1 LEU 24 3HD1 LEU 24 1.311 -0.050 10.642
159 3HD1 LEU 24 2HD1 LEU 24 0.651 -1.534 11.308
160 1HD2 LEU 24 1HD2 LEU 24 3.884 -1.264 9.416
161 2HD2 LEU 24 3HD2 LEU 24 3.198 -1.602 7.840
162 3HD2 LEU 24 2HD2 LEU 24 2.819 -0.100 8.664
163 H TYR 25 H TYR 25 0.383 -5.204 7.635
164 HA TYR 25 HA TYR 25 0.446 -7.624 9.172
165 1HB TYR 25 2HB TYR 25 -0.795 -7.030 6.431
166 2HB TYR 25 1HB TYR 25 -1.021 -8.549 7.186
167 HD1 TYR 25 HD1 TYR 25 -1.065 -6.215 9.899
168 HD2 TYR 25 HD2 TYR 25 -3.396 -7.701 6.649
169 HE1 TYR 25 HE1 TYR 25 -3.118 -5.521 11.036
170 HE2 TYR 25 HE2 TYR 25 -5.437 -7.003 7.795
171 HH TYR 25 HH TYR 25 -6.193 -5.540 9.498
172 HA PRO 26 HA PRO 26 3.880 -9.507 7.760
173 1HB PRO 26 2HB PRO 26 3.416 -12.227 7.908
174 2HB PRO 26 1HB PRO 26 3.474 -11.196 9.341
175 1HG PRO 26 2HG PRO 26 0.995 -12.041 7.736
176 2HG PRO 26 1HG PRO 26 1.247 -12.177 9.476
177 1HD PRO 26 2HD PRO 26 -0.107 -10.046 8.486
178 2HD PRO 26 1HD PRO 26 1.050 -9.797 9.812
179 H SER 27 H SER 27 1.301 -9.867 5.827
180 HA SER 27 HA SER 27 3.016 -10.755 3.522
181 1HB SER 27 2HB SER 27 0.917 -11.727 2.555
182 2HB SER 27 1HB SER 27 1.399 -12.535 4.055
183 HG SER 27 HG SER 27 -0.795 -10.948 3.589
184 H GLY 28 H GLY 28 1.876 -8.122 4.728
185 1HA GLY 28 2HA GLY 28 1.507 -6.032 3.797
186 2HA GLY 28 1HA GLY 28 1.774 -6.780 2.228
187 H CYS 29 H CYS 29 0.306 -6.532 1.005
188 HA CYS 29 HA CYS 29 -2.093 -5.436 1.354
189 1HB CYS 29 2HB CYS 29 -0.822 -6.308 -0.831
190 2HB CYS 29 1HB CYS 29 -2.102 -7.497 -0.765
191 HA PRO 30 HA PRO 30 -4.535 -8.827 3.127
192 1HB PRO 30 2HB PRO 30 -6.623 -7.275 3.992
193 2HB PRO 30 1HB PRO 30 -5.066 -7.291 4.829
194 1HG PRO 30 2HG PRO 30 -6.125 -5.156 2.904
195 2HG PRO 30 1HG PRO 30 -5.168 -5.002 4.363
196 1HD PRO 30 2HD PRO 30 -4.228 -5.041 1.721
197 2HD PRO 30 1HD PRO 30 -3.220 -5.231 3.181
198 H SER 31 H SER 31 -7.019 -9.193 2.781
199 HA SER 31 HA SER 31 -7.361 -9.343 -0.031
200 1HB SER 31 2HB SER 31 -7.832 -11.356 1.684
201 2HB SER 31 1HB SER 31 -9.292 -10.444 2.114
202 HG SER 31 HG SER 31 -8.936 -11.996 0.003
203 H GLY 32 H GLY 32 -8.801 -8.345 -0.986
204 1HA GLY 32 2HA GLY 32 -10.774 -6.946 -1.365
205 2HA GLY 32 1HA GLY 32 -10.685 -6.478 0.340
206 H TRP 33 H TRP 33 -7.616 -6.619 -1.174
207 HA TRP 33 HA TRP 33 -7.640 -3.752 -1.695
208 1HB TRP 33 2HB TRP 33 -5.810 -5.618 -0.096
209 2HB TRP 33 1HB TRP 33 -5.060 -4.242 -0.871
210 HD1 TRP 33 HD1 TRP 33 -8.306 -4.781 1.393
211 HE1 TRP 33 HE1 TRP 33 -8.444 -2.649 2.701
212 HE3 TRP 33 HE3 TRP 33 -4.284 -2.375 -0.429
213 HZ2 TRP 33 HZ2 TRP 33 -7.036 -0.119 2.989
214 HZ3 TRP 33 HZ3 TRP 33 -3.692 -0.141 0.311
215 HH2 TRP 33 HH2 TRP 33 -5.051 0.998 2.002
216 H HIS 34 H HIS 34 -5.014 -3.986 -2.904
217 HA HIS 34 HA HIS 34 -5.580 -5.836 -5.058
218 1HB HIS 34 2HB HIS 34 -6.450 -3.577 -5.593
219 2HB HIS 34 1HB HIS 34 -4.885 -2.872 -5.299
220 HD1 HIS 34 HD1 HIS 34 -5.678 -2.149 -7.813
221 HD2 HIS 34 HD2 HIS 34 -4.223 -5.932 -7.431
222 HE1 HIS 34 HE1 HIS 34 -4.997 -2.892 -10.122
223 H ASN 35 H ASN 35 -3.097 -4.050 -6.133
224 HA ASN 35 HA ASN 35 -0.981 -4.807 -4.406
225 1HB ASN 35 2HB ASN 35 0.044 -6.623 -5.956
226 2HB ASN 35 1HB ASN 35 -1.423 -7.139 -5.154
227 1HD2 ASN 35 2HD2 ASN 35 -1.671 -6.496 -9.183
228 2HD2 ASN 35 1HD2 ASN 35 -0.554 -5.531 -8.338
229 H CYS 36 H CYS 36 0.756 -3.628 -4.905
230 HA CYS 36 HA CYS 36 1.038 -2.631 -7.713
231 1HB CYS 36 2HB CYS 36 1.117 -0.332 -7.074
232 2HB CYS 36 1HB CYS 36 -0.315 -0.993 -6.336
233 H LYS 37 H LYS 37 2.404 -2.143 -4.521
234 HA LYS 37 HA LYS 37 5.099 -2.124 -5.623
235 1HB LYS 37 2HB LYS 37 4.023 -1.799 -2.821
236 2HB LYS 37 1HB LYS 37 5.693 -1.673 -3.130
237 1HG LYS 37 2HG LYS 37 3.473 0.138 -4.117
238 2HG LYS 37 1HG LYS 37 4.745 0.577 -3.014
239 1HD LYS 37 2HD LYS 37 5.075 0.000 -5.975
240 2HD LYS 37 1HD LYS 37 5.292 1.523 -5.136
241 1HE LYS 37 2HE LYS 37 7.201 0.634 -3.874
242 2HE LYS 37 1HE LYS 37 7.037 -0.906 -4.720
243 1HZ LYS 37 3HZ LYS 37 6.943 1.112 -6.642
244 2HZ LYS 37 2HZ LYS 37 8.351 1.372 -5.697
245 3HZ LYS 37 1HZ LYS 37 7.975 -0.091 -6.537
246 H ALA 38 H ALA 38 4.375 -4.295 -6.275
247 HA ALA 38 HA ALA 38 4.572 -6.499 -4.397
248 1HB ALA 38 1HB ALA 38 3.390 -6.684 -6.607
249 2HB ALA 38 3HB ALA 38 4.923 -6.424 -7.435
250 3HB ALA 38 2HB ALA 38 4.677 -7.873 -6.479
251 H HIS 39 H HIS 39 6.768 -4.479 -4.473
252 HA HIS 39 HA HIS 39 9.112 -6.282 -4.755
253 1HB HIS 39 2HB HIS 39 8.862 -3.311 -5.476
254 2HB HIS 39 1HB HIS 39 10.410 -4.118 -5.323
255 HD1 HIS 39 HD1 HIS 39 10.678 -6.175 -7.072
256 HD2 HIS 39 HD2 HIS 39 7.621 -3.596 -7.928
257 HE1 HIS 39 HE1 HIS 39 10.060 -6.570 -9.427
258 H GLY 40 H GLY 40 8.343 -3.045 -3.435
259 1HA GLY 40 2HA GLY 40 8.604 -3.855 -0.749
260 2HA GLY 40 1HA GLY 40 10.103 -3.082 -1.306
261 HA PRO 41 HA PRO 41 10.662 -1.241 0.169
262 1HB PRO 41 2HB PRO 41 10.165 -0.237 2.622
263 2HB PRO 41 1HB PRO 41 10.033 0.794 1.191
264 1HG PRO 41 2HG PRO 41 7.774 -0.760 2.579
265 2HG PRO 41 1HG PRO 41 7.819 0.969 2.230
266 1HD PRO 41 2HD PRO 41 6.626 -0.823 0.528
267 2HD PRO 41 1HD PRO 41 7.448 0.609 -0.142
268 H THR 42 H THR 42 11.553 -2.240 2.338
269 HA THR 42 HA THR 42 10.263 -4.923 2.543
270 HB THR 42 HB THR 42 12.665 -4.954 1.932
271 HG1 THR 42 HG1 THR 42 11.613 -5.973 4.246
272 1HG2 THR 42 1HG2 THR 42 13.373 -2.776 3.127
273 2HG2 THR 42 3HG2 THR 42 13.179 -3.630 4.653
274 3HG2 THR 42 2HG2 THR 42 14.382 -4.154 3.498
275 H ILE 43 H ILE 43 10.378 -2.065 4.210
276 HA ILE 43 HA ILE 43 10.003 -3.323 6.893
277 HB ILE 43 HB ILE 43 10.105 -0.354 6.091
278 1HG1 ILE 43 2HG1 ILE 43 12.319 -2.124 7.302
279 2HG1 ILE 43 1HG1 ILE 43 12.274 -1.640 5.619
280 1HG2 ILE 43 1HG2 ILE 43 8.945 -0.861 8.249
281 2HG2 ILE 43 3HG2 ILE 43 10.358 -1.742 8.809
282 3HG2 ILE 43 2HG2 ILE 43 10.439 -0.008 8.553
283 1HD1 ILE 43 1HD1 ILE 43 12.409 0.752 6.283
284 2HD1 ILE 43 3HD1 ILE 43 12.462 0.280 7.974
285 3HD1 ILE 43 2HD1 ILE 43 13.773 -0.161 6.902
286 H GLY 44 H GLY 44 8.139 -4.328 6.058
287 1HA GLY 44 2HA GLY 44 5.724 -4.394 6.382
288 2HA GLY 44 1HA GLY 44 5.678 -2.625 6.174
289 H TRP 45 H TRP 45 3.991 -3.681 4.444
290 HA TRP 45 HA TRP 45 5.525 -3.984 1.868
291 1HB TRP 45 2HB TRP 45 2.715 -4.923 2.353
292 2HB TRP 45 1HB TRP 45 3.721 -5.296 0.979
293 HD1 TRP 45 HD1 TRP 45 3.903 -5.997 4.878
294 HE1 TRP 45 HE1 TRP 45 4.662 -8.377 5.013
295 HE3 TRP 45 HE3 TRP 45 4.514 -7.045 -0.002
296 HZ2 TRP 45 HZ2 TRP 45 5.441 -10.574 3.324
297 HZ3 TRP 45 HZ3 TRP 45 5.269 -9.276 -0.751
298 HH2 TRP 45 HH2 TRP 45 5.738 -11.043 0.914
299 H CYS 46 H CYS 46 4.350 -3.044 0.001
300 HA CYS 46 HA CYS 46 2.522 -0.830 0.870
301 1HB CYS 46 2HB CYS 46 4.848 -0.919 -1.047
302 2HB CYS 46 1HB CYS 46 3.604 0.267 -1.302
303 H CYS 47 H CYS 47 0.632 -0.804 -0.100
304 HA CYS 47 HA CYS 47 0.293 -2.077 -2.723
305 1HB CYS 47 2HB CYS 47 0.041 -3.844 -0.866
306 2HB CYS 47 1HB CYS 47 -1.378 -2.965 -0.341
307 H LYS 48 H LYS 48 -2.448 -2.069 -2.828
308 HA LYS 48 HA LYS 48 -3.398 0.494 -1.739
309 1HB LYS 48 2HB LYS 48 -3.957 1.395 -4.025
310 2HB LYS 48 1HB LYS 48 -2.223 1.206 -3.867
311 1HG LYS 48 2HG LYS 48 -2.313 -0.910 -5.163
312 2HG LYS 48 1HG LYS 48 -4.064 -0.756 -5.289
313 1HD LYS 48 2HD LYS 48 -3.898 1.340 -6.487
314 2HD LYS 48 1HD LYS 48 -2.153 1.420 -6.234
315 1HE LYS 48 2HE LYS 48 -1.823 -0.552 -7.688
316 2HE LYS 48 1HE LYS 48 -3.560 -0.742 -7.854
317 1HZ LYS 48 3HZ LYS 48 -2.947 1.896 -8.524
318 2HZ LYS 48 2HZ LYS 48 -1.789 0.988 -9.275
319 3HZ LYS 48 1HZ LYS 48 -3.451 0.679 -9.603
320 H GLN 49 H GLN 49 -5.868 0.546 -2.374
321 HA GLN 49 HA GLN 49 -6.730 -2.059 -1.947
322 1HB GLN 49 2HB GLN 49 -7.615 0.533 -1.333
323 2HB GLN 49 1HB GLN 49 -8.649 0.119 -2.710
324 1HG GLN 49 2HG GLN 49 -8.915 -2.057 -1.735
325 2HG GLN 49 1HG GLN 49 -8.091 -1.500 -0.281
326 1HE2 GLN 49 2HE2 GLN 49 -11.856 -1.195 -0.018
327 2HE2 GLN 49 1HE2 GLN 49 -10.898 -2.446 -0.681
No H/Q in entry = 327
Start of MODEL 15
Raw file had 333 H/Q atoms
Start of MODEL 15
1 1H GLY 1 1H GLY 1 -3.596 4.719 7.806
2 2H GLY 1 3H GLY 1 -4.660 3.480 7.363
3 3H GLY 1 2H GLY 1 -4.077 3.576 8.962
4 1HA GLY 1 2HA GLY 1 -2.275 2.328 8.414
5 2HA GLY 1 1HA GLY 1 -2.901 2.233 6.750
6 H VAL 2 H VAL 2 -0.166 2.535 6.803
7 HA VAL 2 HA VAL 2 0.356 5.466 6.778
8 HB VAL 2 HB VAL 2 2.201 3.255 5.842
9 1HG1 VAL 2 3HG1 VAL 2 2.848 6.049 6.869
10 2HG1 VAL 2 2HG1 VAL 2 4.030 4.845 6.388
11 3HG1 VAL 2 1HG1 VAL 2 2.918 5.491 5.207
12 1HG2 VAL 2 3HG2 VAL 2 2.014 4.409 8.689
13 2HG2 VAL 2 2HG2 VAL 2 1.570 2.763 8.270
14 3HG2 VAL 2 1HG2 VAL 2 3.240 3.266 8.173
15 H SER 3 H SER 3 0.321 6.481 4.833
16 HA SER 3 HA SER 3 -0.831 5.038 2.554
17 1HB SER 3 2HB SER 3 0.308 7.762 2.318
18 2HB SER 3 1HB SER 3 -1.189 7.142 1.593
19 HG SER 3 HG SER 3 -1.183 8.581 3.700
20 H CYS 4 H CYS 4 0.297 4.899 0.501
21 HA CYS 4 HA CYS 4 3.154 5.503 0.363
22 1HB CYS 4 2HB CYS 4 3.112 3.335 1.637
23 2HB CYS 4 1HB CYS 4 2.250 2.602 0.300
24 H LEU 5 H LEU 5 3.684 5.855 -1.745
25 HA LEU 5 HA LEU 5 1.733 5.804 -3.789
26 1HB LEU 5 2HB LEU 5 3.699 6.284 -5.216
27 2HB LEU 5 1HB LEU 5 3.398 7.403 -3.955
28 HG LEU 5 HG LEU 5 5.206 5.825 -2.720
29 1HD1 LEU 5 1HD1 LEU 5 5.826 5.350 -5.643
30 2HD1 LEU 5 3HD1 LEU 5 6.841 4.924 -4.276
31 3HD1 LEU 5 2HD1 LEU 5 5.291 4.135 -4.493
32 1HD2 LEU 5 1HD2 LEU 5 5.862 7.847 -4.901
33 2HD2 LEU 5 3HD2 LEU 5 5.505 8.213 -3.224
34 3HD2 LEU 5 2HD2 LEU 5 6.968 7.341 -3.643
35 H CYS 6 H CYS 6 2.408 4.927 -5.931
36 HA CYS 6 HA CYS 6 2.628 1.953 -5.719
37 1HB CYS 6 2HB CYS 6 1.370 3.787 -7.734
38 2HB CYS 6 1HB CYS 6 1.694 2.123 -8.139
39 H ASP 7 H ASP 7 3.463 0.981 -8.047
40 HA ASP 7 HA ASP 7 6.269 1.561 -8.047
41 1HB ASP 7 2HB ASP 7 6.415 -0.013 -9.894
42 2HB ASP 7 1HB ASP 7 5.263 -0.667 -8.735
43 H SER 8 H SER 8 3.757 2.205 -10.194
44 HA SER 8 HA SER 8 5.229 3.694 -12.190
45 1HB SER 8 2HB SER 8 2.233 3.743 -11.633
46 2HB SER 8 1HB SER 8 3.024 4.212 -13.139
47 HG SER 8 HG SER 8 3.772 1.649 -12.275
48 H ASP 9 H ASP 9 4.610 4.572 -9.127
49 HA ASP 9 HA ASP 9 3.955 7.394 -9.681
50 1HB ASP 9 2HB ASP 9 4.376 5.796 -7.143
51 2HB ASP 9 1HB ASP 9 4.174 7.527 -7.110
52 H GLY 10 H GLY 10 5.333 8.693 -7.793
53 1HA GLY 10 2HA GLY 10 8.007 8.848 -9.006
54 2HA GLY 10 1HA GLY 10 7.306 9.999 -7.869
55 HA PRO 11 HA PRO 11 10.580 7.201 -6.084
56 1HB PRO 11 2HB PRO 11 12.125 9.128 -4.865
57 2HB PRO 11 1HB PRO 11 12.275 8.743 -6.583
58 1HG PRO 11 2HG PRO 11 10.525 10.920 -5.295
59 2HG PRO 11 1HG PRO 11 11.729 11.152 -6.567
60 1HD PRO 11 2HD PRO 11 9.141 10.877 -7.206
61 2HD PRO 11 1HD PRO 11 10.321 9.986 -8.196
62 H SER 12 H SER 12 10.918 6.501 -3.838
63 HA SER 12 HA SER 12 8.630 7.250 -2.194
64 1HB SER 12 2HB SER 12 9.781 5.364 -0.757
65 2HB SER 12 1HB SER 12 8.868 4.992 -2.232
66 HG SER 12 HG SER 12 11.650 5.030 -1.802
67 H VAL 13 H VAL 13 8.986 9.074 -1.483
68 HA VAL 13 HA VAL 13 10.502 9.506 0.959
69 HB VAL 13 HB VAL 13 12.180 10.317 -0.612
70 1HG1 VAL 13 1HG1 VAL 13 10.715 10.440 -2.670
71 2HG1 VAL 13 3HG1 VAL 13 9.937 11.874 -2.021
72 3HG1 VAL 13 2HG1 VAL 13 11.634 11.922 -2.473
73 1HG2 VAL 13 3HG2 VAL 13 11.805 11.884 1.245
74 2HG2 VAL 13 2HG2 VAL 13 12.271 12.751 -0.201
75 3HG2 VAL 13 1HG2 VAL 13 10.598 12.755 0.306
76 H ARG 14 H ARG 14 9.474 11.483 1.965
77 HA ARG 14 HA ARG 14 6.621 11.440 1.293
78 1HB ARG 14 2HB ARG 14 7.882 12.114 3.663
79 2HB ARG 14 1HB ARG 14 7.626 13.723 3.009
80 1HG ARG 14 2HG ARG 14 5.146 12.871 2.517
81 2HG ARG 14 1HG ARG 14 5.567 11.554 3.568
82 1HD ARG 14 2HD ARG 14 5.884 13.062 5.462
83 2HD ARG 14 1HD ARG 14 5.683 14.476 4.433
84 HE ARG 14 HE ARG 14 3.513 12.514 5.105
85 1HH1 ARG 14 1HH2 ARG 14 3.084 13.724 2.469
86 2HH1 ARG 14 2HH2 ARG 14 2.196 15.160 2.814
87 1HH2 ARG 14 2HH1 ARG 14 3.142 15.043 6.232
88 2HH2 ARG 14 1HH1 ARG 14 2.219 15.969 5.118
89 H GLY 15 H GLY 15 5.673 13.995 1.261
90 1HA GLY 15 2HA GLY 15 5.626 16.034 0.024
91 2HA GLY 15 1HA GLY 15 7.255 15.673 -0.553
92 H ASN 16 H ASN 16 6.773 13.112 -1.572
93 HA ASN 16 HA ASN 16 5.553 13.809 -4.111
94 1HB ASN 16 2HB ASN 16 7.719 12.516 -3.770
95 2HB ASN 16 1HB ASN 16 6.757 11.154 -3.208
96 1HD2 ASN 16 2HD2 ASN 16 5.642 11.707 -6.964
97 2HD2 ASN 16 1HD2 ASN 16 5.064 12.784 -5.782
98 H THR 17 H THR 17 4.569 10.999 -4.758
99 HA THR 17 HA THR 17 1.879 11.370 -3.801
100 HB THR 17 HB THR 17 1.515 9.322 -5.391
101 HG1 THR 17 HG1 THR 17 3.290 8.363 -5.793
102 1HG2 THR 17 1HG2 THR 17 3.133 11.654 -6.598
103 2HG2 THR 17 3HG2 THR 17 2.072 10.554 -7.452
104 3HG2 THR 17 2HG2 THR 17 1.399 11.712 -6.324
105 H LEU 18 H LEU 18 0.583 9.750 -2.936
106 HA LEU 18 HA LEU 18 1.776 7.437 -1.607
107 1HB LEU 18 2HB LEU 18 1.017 8.129 0.573
108 2HB LEU 18 1HB LEU 18 2.291 9.133 -0.035
109 HG LEU 18 HG LEU 18 -0.643 9.933 -0.183
110 1HD1 LEU 18 2HD1 LEU 18 1.512 10.647 1.865
111 2HD1 LEU 18 1HD1 LEU 18 -0.096 11.375 1.831
112 3HD1 LEU 18 3HD1 LEU 18 0.086 9.678 2.189
113 1HD2 LEU 18 3HD2 LEU 18 1.926 11.620 -0.384
114 2HD2 LEU 18 2HD2 LEU 18 0.851 11.295 -1.718
115 3HD2 LEU 18 1HD2 LEU 18 0.297 12.280 -0.403
116 H SER 19 H SER 19 -0.036 7.470 -3.707
117 HA SER 19 HA SER 19 -2.771 7.417 -2.952
118 1HB SER 19 2HB SER 19 -1.327 6.039 -5.250
119 2HB SER 19 1HB SER 19 -3.086 6.296 -5.129
120 HG SER 19 HG SER 19 -2.662 8.235 -5.797
121 H GLY 20 H GLY 20 -0.416 4.884 -2.659
122 1HA GLY 20 2HA GLY 20 -2.461 2.914 -2.235
123 2HA GLY 20 1HA GLY 20 -0.724 2.608 -2.314
124 H THR 21 H THR 21 -1.117 1.399 -0.199
125 HA THR 21 HA THR 21 -0.559 3.144 1.970
126 HB THR 21 HB THR 21 -2.767 1.041 2.199
127 HG1 THR 21 HG1 THR 21 -2.883 3.593 1.121
128 1HG2 THR 21 3HG2 THR 21 -1.764 1.910 4.347
129 2HG2 THR 21 2HG2 THR 21 -2.260 3.534 3.873
130 3HG2 THR 21 1HG2 THR 21 -3.471 2.296 4.174
131 H LEU 22 H LEU 22 0.484 2.024 3.406
132 HA LEU 22 HA LEU 22 1.631 -0.550 2.531
133 1HB LEU 22 2HB LEU 22 3.216 1.081 2.847
134 2HB LEU 22 1HB LEU 22 2.658 1.603 4.435
135 HG LEU 22 HG LEU 22 3.385 -1.247 4.542
136 1HD1 LEU 22 2HD1 LEU 22 4.690 -0.751 2.451
137 2HD1 LEU 22 1HD1 LEU 22 5.524 0.528 3.294
138 3HD1 LEU 22 3HD1 LEU 22 5.751 -1.135 3.794
139 1HD2 LEU 22 1HD2 LEU 22 3.538 0.465 6.390
140 2HD2 LEU 22 3HD2 LEU 22 5.035 -0.430 6.192
141 3HD2 LEU 22 2HD2 LEU 22 4.896 1.206 5.569
142 H TRP 23 H TRP 23 1.485 -2.183 3.622
143 HA TRP 23 HA TRP 23 -0.197 -2.244 6.095
144 1HB TRP 23 2HB TRP 23 -0.011 -4.093 3.668
145 2HB TRP 23 1HB TRP 23 -0.765 -4.649 5.167
146 HD1 TRP 23 HD1 TRP 23 -1.438 -2.113 2.204
147 HE1 TRP 23 HE1 TRP 23 -3.702 -1.185 2.626
148 HE3 TRP 23 HE3 TRP 23 -2.407 -4.065 6.804
149 HZ2 TRP 23 HZ2 TRP 23 -5.752 -1.159 4.549
150 HZ3 TRP 23 HZ3 TRP 23 -4.568 -3.507 7.907
151 HH2 TRP 23 HH2 TRP 23 -6.226 -2.089 6.794
152 H LEU 24 H LEU 24 0.734 -2.942 7.787
153 HA LEU 24 HA LEU 24 3.521 -3.850 7.761
154 1HB LEU 24 2HB LEU 24 1.907 -3.617 10.313
155 2HB LEU 24 1HB LEU 24 3.579 -3.209 10.029
156 HG LEU 24 HG LEU 24 1.247 -1.640 8.899
157 1HD1 LEU 24 3HD1 LEU 24 3.005 -1.010 11.320
158 2HD1 LEU 24 2HD1 LEU 24 1.802 0.072 10.646
159 3HD1 LEU 24 1HD1 LEU 24 1.304 -1.441 11.376
160 1HD2 LEU 24 1HD2 LEU 24 4.211 -0.978 9.033
161 2HD2 LEU 24 3HD2 LEU 24 3.318 -1.404 7.586
162 3HD2 LEU 24 2HD2 LEU 24 2.959 0.090 8.429
163 H TYR 25 H TYR 25 0.535 -5.018 7.719
164 HA TYR 25 HA TYR 25 0.471 -7.333 9.345
165 1HB TYR 25 2HB TYR 25 -0.818 -6.742 6.633
166 2HB TYR 25 1HB TYR 25 -1.273 -8.123 7.548
167 HD1 TYR 25 HD1 TYR 25 -0.618 -5.343 9.804
168 HD2 TYR 25 HD2 TYR 25 -3.530 -7.121 7.237
169 HE1 TYR 25 HE1 TYR 25 -2.384 -4.148 10.963
170 HE2 TYR 25 HE2 TYR 25 -5.295 -5.923 8.412
171 HH TYR 25 HH TYR 25 -4.893 -4.491 11.387
172 HA PRO 26 HA PRO 26 3.648 -9.582 7.848
173 1HB PRO 26 2HB PRO 26 3.007 -12.218 8.298
174 2HB PRO 26 1HB PRO 26 3.233 -11.072 9.621
175 1HG PRO 26 2HG PRO 26 0.594 -11.881 8.269
176 2HG PRO 26 1HG PRO 26 0.964 -11.869 9.995
177 1HD PRO 26 2HD PRO 26 -0.316 -9.744 8.863
178 2HD PRO 26 1HD PRO 26 0.919 -9.463 10.109
179 H SER 27 H SER 27 0.902 -9.824 6.168
180 HA SER 27 HA SER 27 2.266 -11.076 3.807
181 1HB SER 27 2HB SER 27 -0.001 -11.861 3.148
182 2HB SER 27 1HB SER 27 0.557 -12.618 4.653
183 HG SER 27 HG SER 27 -1.402 -10.651 4.291
184 H GLY 28 H GLY 28 1.640 -8.293 4.912
185 1HA GLY 28 2HA GLY 28 1.295 -6.209 4.005
186 2HA GLY 28 1HA GLY 28 1.441 -6.997 2.449
187 H CYS 29 H CYS 29 -0.001 -6.707 1.256
188 HA CYS 29 HA CYS 29 -2.242 -5.307 1.488
189 1HB CYS 29 2HB CYS 29 -0.982 -6.443 -0.575
190 2HB CYS 29 1HB CYS 29 -2.391 -7.465 -0.517
191 HA PRO 30 HA PRO 30 -4.895 -8.219 3.732
192 1HB PRO 30 2HB PRO 30 -6.724 -6.397 4.581
193 2HB PRO 30 1HB PRO 30 -5.126 -6.582 5.306
194 1HG PRO 30 2HG PRO 30 -6.022 -4.402 3.352
195 2HG PRO 30 1HG PRO 30 -4.917 -4.357 4.701
196 1HD PRO 30 2HD PRO 30 -4.265 -4.666 1.985
197 2HD PRO 30 1HD PRO 30 -3.156 -4.955 3.368
198 H SER 31 H SER 31 -6.516 -9.314 3.007
199 HA SER 31 HA SER 31 -7.517 -9.267 0.438
200 1HB SER 31 2HB SER 31 -7.900 -11.318 1.991
201 2HB SER 31 1HB SER 31 -9.119 -10.371 2.863
202 HG SER 31 HG SER 31 -10.467 -10.847 1.302
203 H GLY 32 H GLY 32 -8.356 -7.812 -0.424
204 1HA GLY 32 2HA GLY 32 -10.656 -6.712 -0.843
205 2HA GLY 32 1HA GLY 32 -10.369 -5.997 0.760
206 H TRP 33 H TRP 33 -7.364 -6.458 -0.593
207 HA TRP 33 HA TRP 33 -7.228 -3.772 -1.762
208 1HB TRP 33 2HB TRP 33 -5.411 -5.415 0.094
209 2HB TRP 33 1HB TRP 33 -4.788 -4.037 -0.779
210 HD1 TRP 33 HD1 TRP 33 -7.890 -4.662 1.576
211 HE1 TRP 33 HE1 TRP 33 -8.147 -2.445 2.728
212 HE3 TRP 33 HE3 TRP 33 -4.168 -2.166 -0.606
213 HZ2 TRP 33 HZ2 TRP 33 -6.880 0.225 2.730
214 HZ3 TRP 33 HZ3 TRP 33 -3.631 0.170 -0.060
215 HH2 TRP 33 HH2 TRP 33 -4.953 1.369 1.573
216 H HIS 34 H HIS 34 -4.548 -4.346 -2.694
217 HA HIS 34 HA HIS 34 -4.795 -6.636 -4.396
218 1HB HIS 34 2HB HIS 34 -6.092 -4.813 -5.580
219 2HB HIS 34 1HB HIS 34 -4.629 -3.839 -5.656
220 HD1 HIS 34 HD1 HIS 34 -4.012 -4.180 -8.174
221 HD2 HIS 34 HD2 HIS 34 -4.955 -7.717 -6.374
222 HE1 HIS 34 HE1 HIS 34 -3.540 -5.937 -9.828
223 H ASN 35 H ASN 35 -2.823 -4.351 -5.790
224 HA ASN 35 HA ASN 35 -0.458 -4.715 -4.165
225 1HB ASN 35 2HB ASN 35 0.775 -6.360 -5.352
226 2HB ASN 35 1HB ASN 35 -0.818 -7.062 -5.416
227 1HD2 ASN 35 2HD2 ASN 35 -1.077 -6.518 -8.947
228 2HD2 ASN 35 1HD2 ASN 35 -2.052 -6.702 -7.560
229 H CYS 36 H CYS 36 1.263 -3.473 -4.881
230 HA CYS 36 HA CYS 36 1.068 -2.097 -7.500
231 1HB CYS 36 2HB CYS 36 0.044 -0.871 -5.085
232 2HB CYS 36 1HB CYS 36 1.497 -0.007 -5.513
233 H LYS 37 H LYS 37 2.758 -1.677 -4.381
234 HA LYS 37 HA LYS 37 5.272 -1.380 -5.843
235 1HB LYS 37 2HB LYS 37 4.733 -1.404 -2.852
236 2HB LYS 37 1HB LYS 37 6.235 -0.949 -3.545
237 1HG LYS 37 2HG LYS 37 3.580 0.534 -3.878
238 2HG LYS 37 1HG LYS 37 4.933 1.067 -2.913
239 1HD LYS 37 2HD LYS 37 5.068 0.735 -5.893
240 2HD LYS 37 1HD LYS 37 4.776 2.220 -4.985
241 1HE LYS 37 2HE LYS 37 6.947 2.007 -3.872
242 2HE LYS 37 1HE LYS 37 7.277 0.581 -4.832
243 1HZ LYS 37 3HZ LYS 37 6.413 2.724 -6.524
244 2HZ LYS 37 2HZ LYS 37 7.637 3.270 -5.559
245 3HZ LYS 37 1HZ LYS 37 7.904 1.903 -6.537
246 H ALA 38 H ALA 38 4.547 -3.684 -6.446
247 HA ALA 38 HA ALA 38 4.882 -5.902 -4.666
248 1HB ALA 38 1HB ALA 38 5.215 -5.754 -7.685
249 2HB ALA 38 3HB ALA 38 5.037 -7.247 -6.773
250 3HB ALA 38 2HB ALA 38 3.721 -6.079 -6.810
251 H HIS 39 H HIS 39 7.215 -3.938 -4.883
252 HA HIS 39 HA HIS 39 9.391 -5.965 -4.909
253 1HB HIS 39 2HB HIS 39 10.863 -4.247 -5.931
254 2HB HIS 39 1HB HIS 39 9.470 -4.611 -6.938
255 HD1 HIS 39 HD1 HIS 39 10.941 -1.836 -5.053
256 HD2 HIS 39 HD2 HIS 39 7.481 -2.540 -7.097
257 HE1 HIS 39 HE1 HIS 39 9.876 0.351 -5.363
258 H GLY 40 H GLY 40 8.287 -2.880 -3.542
259 1HA GLY 40 2HA GLY 40 9.772 -3.543 -1.110
260 2HA GLY 40 1HA GLY 40 10.290 -2.064 -1.936
261 HA PRO 41 HA PRO 41 10.686 -1.366 0.360
262 1HB PRO 41 2HB PRO 41 10.272 -0.952 2.986
263 2HB PRO 41 1HB PRO 41 9.984 0.324 1.801
264 1HG PRO 41 2HG PRO 41 7.934 -1.587 3.012
265 2HG PRO 41 1HG PRO 41 7.847 0.172 2.892
266 1HD PRO 41 2HD PRO 41 6.644 -1.457 1.022
267 2HD PRO 41 1HD PRO 41 7.325 0.113 0.567
268 H THR 42 H THR 42 11.930 -2.517 2.160
269 HA THR 42 HA THR 42 11.217 -5.383 1.963
270 HB THR 42 HB THR 42 13.504 -4.654 1.214
271 HG1 THR 42 HG1 THR 42 13.236 -6.270 3.516
272 1HG2 THR 42 1HG2 THR 42 13.978 -3.950 4.165
273 2HG2 THR 42 3HG2 THR 42 15.171 -3.905 2.883
274 3HG2 THR 42 2HG2 THR 42 13.862 -2.740 2.897
275 H ILE 43 H ILE 43 10.035 -3.382 3.940
276 HA ILE 43 HA ILE 43 10.468 -5.143 6.347
277 HB ILE 43 HB ILE 43 10.270 -3.100 7.821
278 1HG1 ILE 43 2HG1 ILE 43 10.554 -1.561 5.194
279 2HG1 ILE 43 1HG1 ILE 43 9.133 -1.553 6.224
280 1HG2 ILE 43 3HG2 ILE 43 12.466 -4.112 7.245
281 2HG2 ILE 43 2HG2 ILE 43 12.594 -3.098 5.823
282 3HG2 ILE 43 1HG2 ILE 43 12.649 -2.387 7.425
283 1HD1 ILE 43 2HD1 ILE 43 10.500 -0.530 8.067
284 2HD1 ILE 43 1HD1 ILE 43 11.891 -0.483 6.994
285 3HD1 ILE 43 3HD1 ILE 43 10.469 0.467 6.625
286 H GLY 44 H GLY 44 8.236 -2.927 4.791
287 1HA GLY 44 2HA GLY 44 5.915 -4.340 6.052
288 2HA GLY 44 1HA GLY 44 5.917 -2.569 5.867
289 H TRP 45 H TRP 45 3.989 -4.076 4.370
290 HA TRP 45 HA TRP 45 5.242 -4.320 1.657
291 1HB TRP 45 2HB TRP 45 2.424 -5.034 2.404
292 2HB TRP 45 1HB TRP 45 3.324 -5.577 1.018
293 HD1 TRP 45 HD1 TRP 45 3.873 -6.006 4.963
294 HE1 TRP 45 HE1 TRP 45 4.347 -8.434 5.249
295 HE3 TRP 45 HE3 TRP 45 3.688 -7.529 0.163
296 HZ2 TRP 45 HZ2 TRP 45 4.612 -10.873 3.686
297 HZ3 TRP 45 HZ3 TRP 45 4.051 -9.898 -0.436
298 HH2 TRP 45 HH2 TRP 45 4.519 -11.561 1.328
299 H CYS 46 H CYS 46 4.764 -2.734 0.039
300 HA CYS 46 HA CYS 46 2.770 -0.646 0.819
301 1HB CYS 46 2HB CYS 46 5.223 -0.754 -0.902
302 2HB CYS 46 1HB CYS 46 3.968 0.344 -1.384
303 H CYS 47 H CYS 47 0.792 -1.062 0.113
304 HA CYS 47 HA CYS 47 0.429 -2.158 -2.628
305 1HB CYS 47 2HB CYS 47 0.074 -3.738 -0.614
306 2HB CYS 47 1HB CYS 47 -1.352 -2.783 -0.279
307 H LYS 48 H LYS 48 -2.253 -2.120 -2.802
308 HA LYS 48 HA LYS 48 -3.270 0.555 -2.096
309 1HB LYS 48 2HB LYS 48 -3.655 1.237 -4.463
310 2HB LYS 48 1HB LYS 48 -1.957 0.942 -4.240
311 1HG LYS 48 2HG LYS 48 -2.392 -0.122 -6.301
312 2HG LYS 48 1HG LYS 48 -2.338 -1.445 -5.180
313 1HD LYS 48 2HD LYS 48 -4.165 -1.837 -6.681
314 2HD LYS 48 1HD LYS 48 -4.915 -1.450 -5.171
315 1HE LYS 48 2HE LYS 48 -5.147 0.955 -6.005
316 2HE LYS 48 1HE LYS 48 -4.545 0.419 -7.562
317 1HZ LYS 48 2HZ LYS 48 -6.688 -1.254 -6.612
318 2HZ LYS 48 1HZ LYS 48 -7.126 0.301 -6.523
319 3HZ LYS 48 3HZ LYS 48 -6.660 -0.319 -8.051
320 H GLN 49 H GLN 49 -5.689 0.653 -2.794
321 HA GLN 49 HA GLN 49 -6.758 -1.979 -2.621
322 1HB GLN 49 2HB GLN 49 -7.166 0.451 -1.197
323 2HB GLN 49 1HB GLN 49 -8.436 0.524 -2.427
324 1HG GLN 49 2HG GLN 49 -8.714 -1.902 -1.949
325 2HG GLN 49 1HG GLN 49 -7.750 -1.571 -0.512
326 1HE2 GLN 49 2HE2 GLN 49 -11.260 -1.511 0.513
327 2HE2 GLN 49 1HE2 GLN 49 -10.224 -2.661 -0.214
No H/Q in entry = 327
Start of MODEL 16
Raw file had 333 H/Q atoms
Start of MODEL 16
1 1H GLY 1 3H GLY 1 -1.301 4.412 10.591
2 2H GLY 1 2H GLY 1 -2.845 3.693 10.572
3 3H GLY 1 1H GLY 1 -1.515 2.842 11.201
4 1HA GLY 1 2HA GLY 1 -1.045 2.007 9.189
5 2HA GLY 1 1HA GLY 1 -2.426 2.903 8.518
6 H VAL 2 H VAL 2 -0.454 2.933 6.735
7 HA VAL 2 HA VAL 2 0.632 5.661 6.893
8 HB VAL 2 HB VAL 2 2.427 3.326 6.133
9 1HG1 VAL 2 1HG1 VAL 2 3.136 5.488 5.205
10 2HG1 VAL 2 3HG1 VAL 2 3.132 6.212 6.810
11 3HG1 VAL 2 2HG1 VAL 2 4.275 4.944 6.410
12 1HG2 VAL 2 1HG2 VAL 2 2.346 4.692 8.854
13 2HG2 VAL 2 3HG2 VAL 2 1.964 3.007 8.530
14 3HG2 VAL 2 2HG2 VAL 2 3.597 3.584 8.320
15 H SER 3 H SER 3 0.867 6.530 4.808
16 HA SER 3 HA SER 3 -0.479 5.104 2.641
17 1HB SER 3 2HB SER 3 0.834 7.861 2.539
18 2HB SER 3 1HB SER 3 -0.364 7.196 1.421
19 HG SER 3 HG SER 3 -0.833 8.386 3.739
20 H CYS 4 H CYS 4 0.702 5.287 0.406
21 HA CYS 4 HA CYS 4 3.637 5.213 0.469
22 1HB CYS 4 2HB CYS 4 2.828 2.821 1.092
23 2HB CYS 4 1HB CYS 4 2.152 2.745 -0.523
24 H LEU 5 H LEU 5 4.417 4.922 -1.877
25 HA LEU 5 HA LEU 5 2.466 6.119 -3.762
26 1HB LEU 5 2HB LEU 5 4.373 7.597 -3.637
27 2HB LEU 5 1HB LEU 5 5.481 6.270 -3.332
28 HG LEU 5 HG LEU 5 5.014 5.484 -5.695
29 1HD1 LEU 5 2HD1 LEU 5 2.940 6.907 -6.016
30 2HD1 LEU 5 1HD1 LEU 5 3.939 8.323 -6.030
31 3HD1 LEU 5 3HD1 LEU 5 4.112 7.145 -7.305
32 1HD2 LEU 5 2HD2 LEU 5 6.411 8.128 -5.397
33 2HD2 LEU 5 1HD2 LEU 5 7.106 6.534 -5.179
34 3HD2 LEU 5 3HD2 LEU 5 6.532 7.033 -6.761
35 H CYS 6 H CYS 6 1.812 4.705 -5.508
36 HA CYS 6 HA CYS 6 3.184 2.056 -5.437
37 1HB CYS 6 2HB CYS 6 0.991 2.999 -7.313
38 2HB CYS 6 1HB CYS 6 1.645 1.400 -7.198
39 H ASP 7 H ASP 7 4.080 1.157 -7.397
40 HA ASP 7 HA ASP 7 5.949 2.918 -8.692
41 1HB ASP 7 2HB ASP 7 5.134 0.032 -9.196
42 2HB ASP 7 1HB ASP 7 6.455 0.840 -10.010
43 H SER 8 H SER 8 2.863 2.455 -9.320
44 HA SER 8 HA SER 8 3.051 3.304 -12.182
45 1HB SER 8 2HB SER 8 1.845 1.042 -11.454
46 2HB SER 8 1HB SER 8 0.539 2.115 -10.923
47 HG SER 8 HG SER 8 1.442 1.590 -13.504
48 H ASP 9 H ASP 9 2.779 4.603 -9.231
49 HA ASP 9 HA ASP 9 0.620 6.551 -9.855
50 1HB ASP 9 2HB ASP 9 2.079 5.757 -7.324
51 2HB ASP 9 1HB ASP 9 1.240 7.294 -7.381
52 H GLY 10 H GLY 10 3.297 6.531 -11.139
53 1HA GLY 10 2HA GLY 10 3.858 8.994 -11.775
54 2HA GLY 10 1HA GLY 10 4.546 8.995 -10.143
55 HA PRO 11 HA PRO 11 8.002 7.266 -12.680
56 1HB PRO 11 2HB PRO 11 9.464 9.471 -13.263
57 2HB PRO 11 1HB PRO 11 8.142 8.976 -14.328
58 1HG PRO 11 2HG PRO 11 8.043 11.026 -12.037
59 2HG PRO 11 1HG PRO 11 7.554 11.279 -13.716
60 1HD PRO 11 2HD PRO 11 5.719 10.572 -11.780
61 2HD PRO 11 1HD PRO 11 5.556 9.959 -13.439
62 H SER 12 H SER 12 10.481 7.984 -11.844
63 HA SER 12 HA SER 12 10.181 7.898 -8.931
64 1HB SER 12 2HB SER 12 12.846 7.546 -9.376
65 2HB SER 12 1HB SER 12 11.700 6.229 -9.677
66 HG SER 12 HG SER 12 13.223 7.369 -11.476
67 H VAL 13 H VAL 13 11.475 9.163 -7.617
68 HA VAL 13 HA VAL 13 12.721 10.987 -6.837
69 HB VAL 13 HB VAL 13 12.059 12.317 -9.512
70 1HG1 VAL 13 3HG1 VAL 13 13.913 13.291 -7.288
71 2HG1 VAL 13 2HG1 VAL 13 13.719 14.051 -8.860
72 3HG1 VAL 13 1HG1 VAL 13 12.372 14.013 -7.749
73 1HG2 VAL 13 2HG2 VAL 13 14.721 11.156 -8.502
74 2HG2 VAL 13 1HG2 VAL 13 13.733 10.459 -9.770
75 3HG2 VAL 13 3HG2 VAL 13 14.510 12.000 -10.026
76 H ARG 14 H ARG 14 11.915 12.704 -5.666
77 HA ARG 14 HA ARG 14 9.189 12.731 -5.039
78 1HB ARG 14 2HB ARG 14 9.667 14.943 -3.881
79 2HB ARG 14 1HB ARG 14 10.777 13.670 -3.447
80 1HG ARG 14 2HG ARG 14 11.620 15.309 -5.814
81 2HG ARG 14 1HG ARG 14 11.492 16.218 -4.327
82 1HD ARG 14 2HD ARG 14 13.051 14.718 -3.182
83 2HD ARG 14 1HD ARG 14 13.153 13.637 -4.558
84 HE ARG 14 HE ARG 14 14.029 15.778 -5.811
85 1HH1 ARG 14 1HH2 ARG 14 14.006 17.473 -3.513
86 2HH1 ARG 14 2HH2 ARG 14 15.591 17.381 -2.845
87 1HH2 ARG 14 2HH1 ARG 14 16.184 14.368 -4.663
88 2HH2 ARG 14 1HH1 ARG 14 16.942 15.454 -3.564
89 H GLY 15 H GLY 15 7.568 14.294 -5.288
90 1HA GLY 15 2HA GLY 15 6.945 16.478 -6.541
91 2HA GLY 15 1HA GLY 15 7.530 15.611 -7.980
92 H ASN 16 H ASN 16 6.793 13.116 -6.841
93 HA ASN 16 HA ASN 16 4.115 12.801 -7.868
94 1HB ASN 16 2HB ASN 16 4.494 10.376 -7.212
95 2HB ASN 16 1HB ASN 16 5.952 10.986 -7.975
96 1HD2 ASN 16 2HD2 ASN 16 6.142 10.088 -4.087
97 2HD2 ASN 16 1HD2 ASN 16 4.664 9.855 -4.902
98 H THR 17 H THR 17 2.671 11.314 -6.434
99 HA THR 17 HA THR 17 2.354 12.515 -3.761
100 HB THR 17 HB THR 17 -0.210 11.886 -4.386
101 HG1 THR 17 HG1 THR 17 0.444 12.338 -6.994
102 1HG2 THR 17 3HG2 THR 17 1.212 14.092 -6.005
103 2HG2 THR 17 2HG2 THR 17 -0.506 14.014 -5.613
104 3HG2 THR 17 1HG2 THR 17 0.681 14.289 -4.353
105 H LEU 18 H LEU 18 0.664 10.681 -2.648
106 HA LEU 18 HA LEU 18 1.655 7.986 -3.319
107 1HB LEU 18 2HB LEU 18 2.306 7.602 -0.923
108 2HB LEU 18 1HB LEU 18 3.405 8.625 -1.814
109 HG LEU 18 HG LEU 18 1.176 9.761 -0.109
110 1HD1 LEU 18 3HD1 LEU 18 2.585 8.167 1.257
111 2HD1 LEU 18 2HD1 LEU 18 4.039 8.975 0.720
112 3HD1 LEU 18 1HD1 LEU 18 2.901 9.820 1.763
113 1HD2 LEU 18 1HD2 LEU 18 2.484 11.387 -1.607
114 2HD2 LEU 18 3HD2 LEU 18 2.757 11.702 0.084
115 3HD2 LEU 18 2HD2 LEU 18 3.967 10.851 -0.852
116 H SER 19 H SER 19 -0.507 7.756 -3.880
117 HA SER 19 HA SER 19 -2.589 7.974 -1.825
118 1HB SER 19 2HB SER 19 -3.995 7.056 -3.867
119 2HB SER 19 1HB SER 19 -3.329 8.691 -3.973
120 HG SER 19 HG SER 19 -2.263 7.989 -5.639
121 H GLY 20 H GLY 20 -0.342 5.622 -2.325
122 1HA GLY 20 2HA GLY 20 -2.080 3.365 -2.081
123 2HA GLY 20 1HA GLY 20 -0.314 3.330 -2.134
124 H THR 21 H THR 21 -1.011 1.797 -0.213
125 HA THR 21 HA THR 21 -0.469 3.236 2.198
126 HB THR 21 HB THR 21 -2.727 1.222 2.040
127 HG1 THR 21 HG1 THR 21 -2.691 3.894 1.429
128 1HG2 THR 21 1HG2 THR 21 -1.715 1.581 4.346
129 2HG2 THR 21 3HG2 THR 21 -2.124 3.286 4.204
130 3HG2 THR 21 2HG2 THR 21 -3.392 2.081 4.245
131 H LEU 22 H LEU 22 0.451 2.072 3.510
132 HA LEU 22 HA LEU 22 1.619 -0.456 2.567
133 1HB LEU 22 2HB LEU 22 3.274 1.008 2.930
134 2HB LEU 22 1HB LEU 22 2.587 1.788 4.345
135 HG LEU 22 HG LEU 22 3.339 -1.076 4.807
136 1HD1 LEU 22 2HD1 LEU 22 5.061 -0.490 3.083
137 2HD1 LEU 22 1HD1 LEU 22 5.541 0.896 4.045
138 3HD1 LEU 22 3HD1 LEU 22 5.789 -0.731 4.659
139 1HD2 LEU 22 1HD2 LEU 22 2.863 0.629 6.578
140 2HD2 LEU 22 3HD2 LEU 22 4.484 -0.038 6.747
141 3HD2 LEU 22 2HD2 LEU 22 4.258 1.559 6.059
142 H TRP 23 H TRP 23 1.428 -2.189 3.516
143 HA TRP 23 HA TRP 23 -0.275 -2.427 5.951
144 1HB TRP 23 2HB TRP 23 0.005 -4.145 3.446
145 2HB TRP 23 1HB TRP 23 -0.694 -4.830 4.920
146 HD1 TRP 23 HD1 TRP 23 -1.528 -2.288 2.077
147 HE1 TRP 23 HE1 TRP 23 -3.822 -1.442 2.595
148 HE3 TRP 23 HE3 TRP 23 -2.220 -4.354 6.636
149 HZ2 TRP 23 HZ2 TRP 23 -5.804 -1.525 4.660
150 HZ3 TRP 23 HZ3 TRP 23 -4.317 -3.884 7.886
151 HH2 TRP 23 HH2 TRP 23 -6.100 -2.515 6.908
152 H LEU 24 H LEU 24 0.587 -3.248 7.617
153 HA LEU 24 HA LEU 24 3.389 -4.125 7.641
154 1HB LEU 24 2HB LEU 24 1.658 -4.110 10.117
155 2HB LEU 24 1HB LEU 24 3.350 -3.705 9.937
156 HG LEU 24 HG LEU 24 1.063 -2.062 8.873
157 1HD1 LEU 24 1HD1 LEU 24 2.878 -1.604 11.291
158 2HD1 LEU 24 3HD1 LEU 24 1.700 -0.446 10.705
159 3HD1 LEU 24 2HD1 LEU 24 1.167 -1.988 11.348
160 1HD2 LEU 24 2HD2 LEU 24 4.069 -1.456 8.996
161 2HD2 LEU 24 1HD2 LEU 24 3.155 -1.786 7.534
162 3HD2 LEU 24 3HD2 LEU 24 2.834 -0.335 8.457
163 H TYR 25 H TYR 25 0.474 -5.349 7.302
164 HA TYR 25 HA TYR 25 0.432 -7.810 8.742
165 1HB TYR 25 2HB TYR 25 -0.679 -7.049 6.007
166 2HB TYR 25 1HB TYR 25 -1.108 -8.525 6.727
167 HD1 TYR 25 HD1 TYR 25 -0.914 -6.199 9.461
168 HD2 TYR 25 HD2 TYR 25 -3.329 -7.513 6.209
169 HE1 TYR 25 HE1 TYR 25 -2.909 -5.317 10.573
170 HE2 TYR 25 HE2 TYR 25 -5.313 -6.629 7.319
171 HH TYR 25 HH TYR 25 -6.105 -5.620 9.102
172 HA PRO 26 HA PRO 26 3.795 -9.764 7.377
173 1HB PRO 26 2HB PRO 26 3.234 -12.465 7.289
174 2HB PRO 26 1HB PRO 26 3.220 -11.553 8.800
175 1HG PRO 26 2HG PRO 26 0.834 -12.169 6.959
176 2HG PRO 26 1HG PRO 26 0.954 -12.458 8.695
177 1HD PRO 26 2HD PRO 26 -0.253 -10.200 7.794
178 2HD PRO 26 1HD PRO 26 0.820 -10.103 9.211
179 H SER 27 H SER 27 1.302 -9.973 5.311
180 HA SER 27 HA SER 27 3.074 -10.716 3.005
181 1HB SER 27 2HB SER 27 0.822 -11.456 1.961
182 2HB SER 27 1HB SER 27 1.515 -12.509 3.204
183 HG SER 27 HG SER 27 -0.284 -12.109 4.241
184 H GLY 28 H GLY 28 1.805 -8.190 4.385
185 1HA GLY 28 2HA GLY 28 1.587 -6.023 3.582
186 2HA GLY 28 1HA GLY 28 1.833 -6.675 1.961
187 H CYS 29 H CYS 29 0.371 -6.321 0.757
188 HA CYS 29 HA CYS 29 -1.982 -5.152 1.187
189 1HB CYS 29 2HB CYS 29 -0.811 -5.937 -1.063
190 2HB CYS 29 1HB CYS 29 -2.081 -7.136 -1.004
191 HA PRO 30 HA PRO 30 -4.318 -8.518 2.979
192 1HB PRO 30 2HB PRO 30 -6.350 -7.047 4.059
193 2HB PRO 30 1HB PRO 30 -4.725 -7.038 4.744
194 1HG PRO 30 2HG PRO 30 -5.941 -4.990 2.830
195 2HG PRO 30 1HG PRO 30 -5.039 -4.713 4.309
196 1HD PRO 30 2HD PRO 30 -3.948 -4.667 1.777
197 2HD PRO 30 1HD PRO 30 -2.997 -5.100 3.229
198 H SER 31 H SER 31 -6.563 -9.082 3.010
199 HA SER 31 HA SER 31 -7.456 -9.324 0.332
200 1HB SER 31 2HB SER 31 -8.689 -10.488 2.937
201 2HB SER 31 1HB SER 31 -8.968 -11.133 1.308
202 HG SER 31 HG SER 31 -6.835 -11.555 2.923
203 H GLY 32 H GLY 32 -8.457 -7.823 -0.434
204 1HA GLY 32 2HA GLY 32 -10.751 -6.751 -0.539
205 2HA GLY 32 1HA GLY 32 -10.380 -6.187 1.109
206 H TRP 33 H TRP 33 -7.433 -6.451 -0.557
207 HA TRP 33 HA TRP 33 -7.590 -3.681 -1.458
208 1HB TRP 33 2HB TRP 33 -5.558 -5.254 0.254
209 2HB TRP 33 1HB TRP 33 -4.997 -3.901 -0.694
210 HD1 TRP 33 HD1 TRP 33 -8.083 -4.418 1.747
211 HE1 TRP 33 HE1 TRP 33 -8.210 -2.245 2.998
212 HE3 TRP 33 HE3 TRP 33 -4.199 -2.045 -0.310
213 HZ2 TRP 33 HZ2 TRP 33 -6.774 0.345 3.158
214 HZ3 TRP 33 HZ3 TRP 33 -3.564 0.207 0.324
215 HH2 TRP 33 HH2 TRP 33 -4.824 1.422 2.036
216 H HIS 34 H HIS 34 -4.960 -3.972 -2.682
217 HA HIS 34 HA HIS 34 -5.473 -6.103 -4.559
218 1HB HIS 34 2HB HIS 34 -6.470 -3.896 -5.353
219 2HB HIS 34 1HB HIS 34 -4.865 -3.207 -5.407
220 HD1 HIS 34 HD1 HIS 34 -4.320 -3.286 -7.942
221 HD2 HIS 34 HD2 HIS 34 -6.115 -6.733 -6.691
222 HE1 HIS 34 HE1 HIS 34 -4.323 -4.808 -9.888
223 H ASN 35 H ASN 35 -3.181 -4.127 -5.816
224 HA ASN 35 HA ASN 35 -0.903 -4.715 -4.263
225 1HB ASN 35 2HB ASN 35 0.126 -6.556 -5.750
226 2HB ASN 35 1HB ASN 35 -1.345 -7.129 -4.989
227 1HD2 ASN 35 2HD2 ASN 35 -3.154 -7.013 -8.156
228 2HD2 ASN 35 1HD2 ASN 35 -3.422 -6.699 -6.513
229 H CYS 36 H CYS 36 0.735 -3.419 -4.815
230 HA CYS 36 HA CYS 36 1.052 -2.690 -7.677
231 1HB CYS 36 2HB CYS 36 0.695 -0.369 -7.372
232 2HB CYS 36 1HB CYS 36 -0.684 -1.195 -6.704
233 H LYS 37 H LYS 37 2.783 -3.586 -5.098
234 HA LYS 37 HA LYS 37 5.130 -2.060 -5.999
235 1HB LYS 37 2HB LYS 37 4.360 -2.661 -3.122
236 2HB LYS 37 1HB LYS 37 5.778 -1.751 -3.518
237 1HG LYS 37 2HG LYS 37 3.322 -0.558 -4.703
238 2HG LYS 37 1HG LYS 37 3.263 -0.633 -3.008
239 1HD LYS 37 2HD LYS 37 4.239 1.478 -3.665
240 2HD LYS 37 1HD LYS 37 5.569 0.563 -2.997
241 1HE LYS 37 2HE LYS 37 6.489 0.014 -5.084
242 2HE LYS 37 1HE LYS 37 5.003 0.306 -5.947
243 1HZ LYS 37 2HZ LYS 37 5.852 2.773 -4.828
244 2HZ LYS 37 1HZ LYS 37 7.163 2.021 -5.717
245 3HZ LYS 37 3HZ LYS 37 5.769 2.287 -6.466
246 H ALA 38 H ALA 38 5.840 -3.793 -7.119
247 HA ALA 38 HA ALA 38 6.008 -6.510 -6.121
248 1HB ALA 38 2HB ALA 38 5.762 -6.004 -8.548
249 2HB ALA 38 1HB ALA 38 7.322 -5.186 -8.528
250 3HB ALA 38 3HB ALA 38 7.237 -6.911 -8.249
251 H HIS 39 H HIS 39 7.315 -4.751 -4.387
252 HA HIS 39 HA HIS 39 10.032 -5.969 -4.389
253 1HB HIS 39 2HB HIS 39 9.494 -2.997 -4.009
254 2HB HIS 39 1HB HIS 39 11.054 -3.776 -3.859
255 HD1 HIS 39 HD1 HIS 39 11.398 -5.342 -6.286
256 HD2 HIS 39 HD2 HIS 39 9.294 -1.847 -6.512
257 HE1 HIS 39 HE1 HIS 39 11.443 -4.641 -8.659
258 H GLY 40 H GLY 40 7.446 -4.592 -2.438
259 1HA GLY 40 2HA GLY 40 7.443 -5.968 -0.239
260 2HA GLY 40 1HA GLY 40 8.970 -5.199 0.018
261 HA PRO 41 HA PRO 41 9.861 -3.435 0.324
262 1HB PRO 41 2HB PRO 41 10.510 -1.637 2.337
263 2HB PRO 41 1HB PRO 41 9.978 -1.094 0.745
264 1HG PRO 41 2HG PRO 41 8.246 -1.521 3.239
265 2HG PRO 41 1HG PRO 41 8.363 -0.072 2.235
266 1HD PRO 41 2HD PRO 41 6.381 -1.930 1.807
267 2HD PRO 41 1HD PRO 41 7.102 -1.071 0.444
268 H THR 42 H THR 42 11.547 -3.481 2.306
269 HA THR 42 HA THR 42 10.911 -6.019 3.645
270 HB THR 42 HB THR 42 13.137 -5.755 2.489
271 HG1 THR 42 HG1 THR 42 12.987 -6.060 5.284
272 1HG2 THR 42 2HG2 THR 42 13.747 -3.661 4.651
273 2HG2 THR 42 1HG2 THR 42 14.853 -4.257 3.431
274 3HG2 THR 42 3HG2 THR 42 13.501 -3.250 2.960
275 H ILE 43 H ILE 43 9.803 -3.313 4.449
276 HA ILE 43 HA ILE 43 10.208 -3.660 7.385
277 HB ILE 43 HB ILE 43 10.210 -1.079 7.564
278 1HG1 ILE 43 2HG1 ILE 43 10.952 -1.251 4.598
279 2HG1 ILE 43 1HG1 ILE 43 9.391 -0.704 5.192
280 1HG2 ILE 43 1HG2 ILE 43 12.266 -2.445 7.903
281 2HG2 ILE 43 3HG2 ILE 43 12.597 -2.407 6.184
282 3HG2 ILE 43 2HG2 ILE 43 12.674 -0.932 7.130
283 1HD1 ILE 43 3HD1 ILE 43 10.492 1.149 6.412
284 2HD1 ILE 43 2HD1 ILE 43 12.065 0.631 5.816
285 3HD1 ILE 43 1HD1 ILE 43 10.849 1.217 4.698
286 H GLY 44 H GLY 44 8.190 -4.243 5.342
287 1HA GLY 44 2HA GLY 44 5.814 -4.479 6.300
288 2HA GLY 44 1HA GLY 44 5.818 -2.693 6.265
289 H TRP 45 H TRP 45 4.007 -4.040 4.501
290 HA TRP 45 HA TRP 45 5.471 -3.952 1.916
291 1HB TRP 45 2HB TRP 45 2.712 -4.901 2.380
292 2HB TRP 45 1HB TRP 45 3.649 -5.117 0.927
293 HD1 TRP 45 HD1 TRP 45 4.133 -6.322 4.709
294 HE1 TRP 45 HE1 TRP 45 4.863 -8.722 4.465
295 HE3 TRP 45 HE3 TRP 45 4.278 -6.741 -0.310
296 HZ2 TRP 45 HZ2 TRP 45 5.454 -10.669 2.458
297 HZ3 TRP 45 HZ3 TRP 45 4.922 -8.861 -1.394
298 HH2 TRP 45 HH2 TRP 45 5.522 -10.830 -0.014
299 H CYS 46 H CYS 46 4.408 -2.939 0.093
300 HA CYS 46 HA CYS 46 2.653 -0.646 0.834
301 1HB CYS 46 2HB CYS 46 5.069 -0.968 -0.890
302 2HB CYS 46 1HB CYS 46 3.907 0.174 -1.425
303 H CYS 47 H CYS 47 0.726 -0.631 -0.103
304 HA CYS 47 HA CYS 47 0.299 -1.789 -2.771
305 1HB CYS 47 2HB CYS 47 0.079 -3.610 -1.013
306 2HB CYS 47 1HB CYS 47 -1.304 -2.734 -0.395
307 H LYS 48 H LYS 48 -2.460 -1.923 -2.753
308 HA LYS 48 HA LYS 48 -3.501 0.657 -1.783
309 1HB LYS 48 2HB LYS 48 -2.340 1.020 -4.191
310 2HB LYS 48 1HB LYS 48 -3.660 0.037 -4.812
311 1HG LYS 48 2HG LYS 48 -5.354 1.579 -4.016
312 2HG LYS 48 1HG LYS 48 -4.208 2.481 -3.048
313 1HD LYS 48 2HD LYS 48 -4.302 2.430 -6.094
314 2HD LYS 48 1HD LYS 48 -4.908 3.726 -5.082
315 1HE LYS 48 2HE LYS 48 -2.452 3.914 -4.161
316 2HE LYS 48 1HE LYS 48 -2.007 2.917 -5.532
317 1HZ LYS 48 3HZ LYS 48 -3.634 5.027 -6.475
318 2HZ LYS 48 2HZ LYS 48 -2.387 5.650 -5.495
319 3HZ LYS 48 1HZ LYS 48 -1.981 4.722 -6.782
320 H GLN 49 H GLN 49 -5.958 0.556 -2.212
321 HA GLN 49 HA GLN 49 -6.846 -1.918 -1.488
322 1HB GLN 49 2HB GLN 49 -7.597 0.735 -1.219
323 2HB GLN 49 1HB GLN 49 -8.695 0.209 -2.492
324 1HG GLN 49 2HG GLN 49 -9.175 -1.723 -1.230
325 2HG GLN 49 1HG GLN 49 -8.155 -1.167 0.093
326 1HE2 GLN 49 2HE2 GLN 49 -11.689 -0.144 0.845
327 2HE2 GLN 49 1HE2 GLN 49 -11.000 -1.646 0.441
No H/Q in entry = 327
Start of MODEL 17
Raw file had 333 H/Q atoms
Start of MODEL 17
1 1H GLY 1 1H GLY 1 -3.954 7.294 8.438
2 2H GLY 1 3H GLY 1 -5.384 6.406 8.204
3 3H GLY 1 2H GLY 1 -4.558 6.321 9.694
4 1HA GLY 1 2HA GLY 1 -3.304 4.628 8.938
5 2HA GLY 1 1HA GLY 1 -4.178 4.721 7.392
6 H VAL 2 H VAL 2 -1.703 4.198 6.748
7 HA VAL 2 HA VAL 2 -0.402 6.825 6.208
8 HB VAL 2 HB VAL 2 1.054 4.198 6.449
9 1HG1 VAL 2 3HG1 VAL 2 2.080 7.051 6.555
10 2HG1 VAL 2 2HG1 VAL 2 3.069 5.616 6.740
11 3HG1 VAL 2 1HG1 VAL 2 2.255 5.919 5.220
12 1HG2 VAL 2 3HG2 VAL 2 0.729 6.278 8.680
13 2HG2 VAL 2 2HG2 VAL 2 0.069 4.649 8.715
14 3HG2 VAL 2 1HG2 VAL 2 1.800 4.889 8.755
15 H SER 3 H SER 3 -0.019 7.095 4.137
16 HA SER 3 HA SER 3 -0.923 5.051 2.237
17 1HB SER 3 2HB SER 3 0.008 7.898 1.643
18 2HB SER 3 1HB SER 3 -0.959 6.850 0.608
19 HG SER 3 HG SER 3 -1.920 8.423 2.420
20 H CYS 4 H CYS 4 0.570 4.921 0.168
21 HA CYS 4 HA CYS 4 3.460 5.136 0.781
22 1HB CYS 4 2HB CYS 4 3.008 2.846 1.503
23 2HB CYS 4 1HB CYS 4 2.118 2.500 0.032
24 H LEU 5 H LEU 5 4.767 4.772 -1.112
25 HA LEU 5 HA LEU 5 3.558 5.890 -3.502
26 1HB LEU 5 2HB LEU 5 6.376 5.101 -2.690
27 2HB LEU 5 1HB LEU 5 6.009 5.579 -4.303
28 HG LEU 5 HG LEU 5 5.020 7.768 -3.201
29 1HD1 LEU 5 1HD1 LEU 5 5.140 6.865 -0.854
30 2HD1 LEU 5 3HD1 LEU 5 6.886 6.753 -1.006
31 3HD1 LEU 5 2HD1 LEU 5 6.098 8.323 -1.039
32 1HD2 LEU 5 2HD2 LEU 5 8.027 7.235 -3.207
33 2HD2 LEU 5 1HD2 LEU 5 7.069 7.722 -4.592
34 3HD2 LEU 5 3HD2 LEU 5 7.278 8.821 -3.245
35 H CYS 6 H CYS 6 2.866 4.624 -5.147
36 HA CYS 6 HA CYS 6 3.388 1.695 -4.957
37 1HB CYS 6 2HB CYS 6 1.801 3.285 -7.014
38 2HB CYS 6 1HB CYS 6 1.772 1.548 -6.810
39 H ASP 7 H ASP 7 3.785 0.792 -7.398
40 HA ASP 7 HA ASP 7 6.427 1.616 -8.048
41 1HB ASP 7 2HB ASP 7 4.408 -0.295 -9.115
42 2HB ASP 7 1HB ASP 7 5.356 0.425 -10.406
43 H SER 8 H SER 8 3.401 2.572 -9.098
44 HA SER 8 HA SER 8 4.109 4.282 -11.292
45 1HB SER 8 2HB SER 8 1.699 4.526 -9.398
46 2HB SER 8 1HB SER 8 1.811 5.157 -11.051
47 HG SER 8 HG SER 8 1.018 2.769 -10.514
48 H ASP 9 H ASP 9 4.038 4.746 -7.780
49 HA ASP 9 HA ASP 9 4.660 7.628 -8.077
50 1HB ASP 9 2HB ASP 9 4.460 5.892 -5.572
51 2HB ASP 9 1HB ASP 9 4.681 7.620 -5.578
52 H GLY 10 H GLY 10 6.392 6.922 -9.356
53 1HA GLY 10 2HA GLY 10 8.823 6.020 -7.883
54 2HA GLY 10 1HA GLY 10 8.599 5.864 -9.627
55 HA PRO 11 HA PRO 11 10.387 9.883 -10.033
56 1HB PRO 11 2HB PRO 11 9.225 10.993 -12.198
57 2HB PRO 11 1HB PRO 11 10.126 9.478 -12.336
58 1HG PRO 11 2HG PRO 11 7.101 9.812 -11.957
59 2HG PRO 11 1HG PRO 11 7.927 8.888 -13.216
60 1HD PRO 11 2HD PRO 11 7.034 7.688 -10.913
61 2HD PRO 11 1HD PRO 11 8.530 7.128 -11.687
62 H SER 12 H SER 12 10.232 12.112 -9.545
63 HA SER 12 HA SER 12 7.864 12.819 -7.970
64 1HB SER 12 2HB SER 12 9.435 14.840 -7.456
65 2HB SER 12 1HB SER 12 9.950 13.226 -6.938
66 HG SER 12 HG SER 12 10.525 14.413 -9.462
67 H VAL 13 H VAL 13 6.334 13.586 -9.044
68 HA VAL 13 HA VAL 13 6.714 15.646 -11.178
69 HB VAL 13 HB VAL 13 4.398 13.682 -11.122
70 1HG1 VAL 13 2HG1 VAL 13 5.566 15.332 -13.405
71 2HG1 VAL 13 1HG1 VAL 13 4.225 14.206 -13.540
72 3HG1 VAL 13 3HG1 VAL 13 4.055 15.644 -12.558
73 1HG2 VAL 13 1HG2 VAL 13 7.048 13.229 -12.549
74 2HG2 VAL 13 3HG2 VAL 13 6.400 12.265 -11.234
75 3HG2 VAL 13 2HG2 VAL 13 5.603 12.259 -12.793
76 H ARG 14 H ARG 14 5.298 17.437 -11.038
77 HA ARG 14 HA ARG 14 4.118 17.953 -8.462
78 1HB ARG 14 2HB ARG 14 3.570 19.278 -11.159
79 2HB ARG 14 1HB ARG 14 2.924 19.878 -9.646
80 1HG ARG 14 2HG ARG 14 5.276 20.131 -8.784
81 2HG ARG 14 1HG ARG 14 5.879 19.675 -10.371
82 1HD ARG 14 2HD ARG 14 4.553 21.619 -11.373
83 2HD ARG 14 1HD ARG 14 4.068 22.073 -9.747
84 HE ARG 14 HE ARG 14 6.649 22.276 -9.317
85 1HH1 ARG 14 2HH1 ARG 14 7.365 21.629 -12.024
86 2HH1 ARG 14 1HH1 ARG 14 7.556 23.138 -12.832
87 1HH2 ARG 14 1HH2 ARG 14 5.727 24.752 -10.218
88 2HH2 ARG 14 2HH2 ARG 14 6.542 25.099 -11.696
89 H GLY 15 H GLY 15 2.318 17.123 -7.697
90 1HA GLY 15 2HA GLY 15 -0.148 16.814 -7.948
91 2HA GLY 15 1HA GLY 15 0.161 16.209 -9.587
92 H ASN 16 H ASN 16 2.641 14.962 -8.531
93 HA ASN 16 HA ASN 16 1.538 12.346 -8.005
94 1HB ASN 16 2HB ASN 16 3.778 12.520 -9.113
95 2HB ASN 16 1HB ASN 16 4.404 13.394 -7.718
96 1HD2 ASN 16 2HD2 ASN 16 3.634 9.500 -6.997
97 2HD2 ASN 16 1HD2 ASN 16 2.560 10.301 -8.019
98 H THR 17 H THR 17 2.218 11.076 -6.068
99 HA THR 17 HA THR 17 2.821 12.219 -3.538
100 HB THR 17 HB THR 17 0.456 13.232 -3.817
101 HG1 THR 17 HG1 THR 17 0.209 12.741 -1.781
102 1HG2 THR 17 2HG2 THR 17 -0.483 11.362 -5.295
103 2HG2 THR 17 1HG2 THR 17 -0.446 10.291 -3.900
104 3HG2 THR 17 3HG2 THR 17 -1.489 11.700 -3.897
105 H LEU 18 H LEU 18 1.263 10.305 -2.238
106 HA LEU 18 HA LEU 18 2.366 7.707 -3.259
107 1HB LEU 18 2HB LEU 18 2.374 7.155 -0.732
108 2HB LEU 18 1HB LEU 18 3.656 8.183 -1.343
109 HG LEU 18 HG LEU 18 1.122 9.330 -0.203
110 1HD1 LEU 18 3HD1 LEU 18 2.165 7.718 1.456
111 2HD1 LEU 18 2HD1 LEU 18 3.700 8.524 1.273
112 3HD1 LEU 18 1HD1 LEU 18 2.349 9.368 2.018
113 1HD2 LEU 18 1HD2 LEU 18 4.047 10.313 -0.267
114 2HD2 LEU 18 3HD2 LEU 18 2.797 10.955 -1.300
115 3HD2 LEU 18 2HD2 LEU 18 2.708 11.219 0.418
116 H SER 19 H SER 19 0.526 7.253 -4.261
117 HA SER 19 HA SER 19 -2.139 7.559 -3.066
118 1HB SER 19 2HB SER 19 -1.333 7.504 -5.658
119 2HB SER 19 1HB SER 19 -1.755 5.801 -5.488
120 HG SER 19 HG SER 19 -3.399 7.815 -5.807
121 H GLY 20 H GLY 20 0.192 5.035 -2.908
122 1HA GLY 20 2HA GLY 20 -1.577 2.855 -2.529
123 2HA GLY 20 1HA GLY 20 0.135 2.876 -2.238
124 H THR 21 H THR 21 -0.691 1.559 -0.311
125 HA THR 21 HA THR 21 -0.685 3.198 2.026
126 HB THR 21 HB THR 21 -2.672 0.926 1.694
127 HG1 THR 21 HG1 THR 21 -2.825 3.610 0.949
128 1HG2 THR 21 2HG2 THR 21 -2.122 1.594 4.083
129 2HG2 THR 21 1HG2 THR 21 -2.676 3.218 3.708
130 3HG2 THR 21 3HG2 THR 21 -3.797 1.876 3.671
131 H LEU 22 H LEU 22 0.146 2.097 3.570
132 HA LEU 22 HA LEU 22 1.548 -0.412 2.744
133 1HB LEU 22 2HB LEU 22 3.061 1.225 3.167
134 2HB LEU 22 1HB LEU 22 2.325 1.831 4.638
135 HG LEU 22 HG LEU 22 3.616 -0.967 4.473
136 1HD1 LEU 22 2HD1 LEU 22 5.240 0.765 3.696
137 2HD1 LEU 22 1HD1 LEU 22 4.951 1.681 5.164
138 3HD1 LEU 22 3HD1 LEU 22 5.695 0.088 5.241
139 1HD2 LEU 22 1HD2 LEU 22 3.236 1.007 6.750
140 2HD2 LEU 22 3HD2 LEU 22 2.234 -0.412 6.515
141 3HD2 LEU 22 2HD2 LEU 22 3.948 -0.595 6.849
142 H TRP 23 H TRP 23 1.576 -2.111 3.947
143 HA TRP 23 HA TRP 23 -0.316 -2.333 6.224
144 1HB TRP 23 2HB TRP 23 0.159 -4.123 3.783
145 2HB TRP 23 1HB TRP 23 -0.568 -4.808 5.229
146 HD1 TRP 23 HD1 TRP 23 -1.505 -2.492 2.238
147 HE1 TRP 23 HE1 TRP 23 -3.851 -1.733 2.689
148 HE3 TRP 23 HE3 TRP 23 -2.099 -4.240 6.920
149 HZ2 TRP 23 HZ2 TRP 23 -5.836 -1.779 4.767
150 HZ3 TRP 23 HZ3 TRP 23 -4.217 -3.806 8.147
151 HH2 TRP 23 HH2 TRP 23 -6.072 -2.607 7.071
152 H LEU 24 H LEU 24 0.422 -3.288 7.941
153 HA LEU 24 HA LEU 24 3.292 -3.850 8.220
154 1HB LEU 24 2HB LEU 24 1.236 -4.093 10.446
155 2HB LEU 24 1HB LEU 24 2.915 -3.637 10.567
156 HG LEU 24 HG LEU 24 0.757 -1.950 9.247
157 1HD1 LEU 24 2HD1 LEU 24 0.478 -2.051 11.720
158 2HD1 LEU 24 1HD1 LEU 24 2.159 -1.588 11.937
159 3HD1 LEU 24 3HD1 LEU 24 1.019 -0.455 11.239
160 1HD2 LEU 24 3HD2 LEU 24 3.063 -1.615 8.345
161 2HD2 LEU 24 2HD2 LEU 24 2.560 -0.193 9.241
162 3HD2 LEU 24 1HD2 LEU 24 3.666 -1.349 9.962
163 H TYR 25 H TYR 25 0.475 -5.284 7.743
164 HA TYR 25 HA TYR 25 0.561 -7.798 9.000
165 1HB TYR 25 2HB TYR 25 -0.606 -6.913 6.334
166 2HB TYR 25 1HB TYR 25 -1.039 -8.408 7.043
167 HD1 TYR 25 HD1 TYR 25 -0.578 -5.985 9.718
168 HD2 TYR 25 HD2 TYR 25 -3.326 -7.416 6.775
169 HE1 TYR 25 HE1 TYR 25 -2.422 -5.026 10.959
170 HE2 TYR 25 HE2 TYR 25 -5.167 -6.448 8.036
171 HH TYR 25 HH TYR 25 -5.725 -5.540 10.159
172 HA PRO 26 HA PRO 26 4.067 -9.425 7.396
173 1HB PRO 26 2HB PRO 26 3.808 -12.130 7.739
174 2HB PRO 26 1HB PRO 26 3.867 -11.023 9.115
175 1HG PRO 26 2HG PRO 26 1.363 -12.123 7.710
176 2HG PRO 26 1HG PRO 26 1.729 -12.152 9.435
177 1HD PRO 26 2HD PRO 26 0.174 -10.165 8.418
178 2HD PRO 26 1HD PRO 26 1.378 -9.789 9.677
179 H SER 27 H SER 27 1.343 -9.855 5.728
180 HA SER 27 HA SER 27 2.789 -10.883 3.314
181 1HB SER 27 2HB SER 27 0.622 -11.918 2.653
182 2HB SER 27 1HB SER 27 1.270 -12.626 4.142
183 HG SER 27 HG SER 27 -0.978 -11.077 3.813
184 H GLY 28 H GLY 28 2.099 -8.205 4.416
185 1HA GLY 28 2HA GLY 28 1.463 -6.146 3.608
186 2HA GLY 28 1HA GLY 28 1.712 -6.843 2.025
187 H CYS 29 H CYS 29 0.182 -6.848 0.836
188 HA CYS 29 HA CYS 29 -2.153 -5.581 1.182
189 1HB CYS 29 2HB CYS 29 -0.974 -6.651 -0.956
190 2HB CYS 29 1HB CYS 29 -2.288 -7.792 -0.774
191 HA PRO 30 HA PRO 30 -4.510 -8.743 3.415
192 1HB PRO 30 2HB PRO 30 -6.437 -7.098 4.426
193 2HB PRO 30 1HB PRO 30 -4.812 -7.217 5.105
194 1HG PRO 30 2HG PRO 30 -5.936 -4.998 3.398
195 2HG PRO 30 1HG PRO 30 -4.719 -4.959 4.657
196 1HD PRO 30 2HD PRO 30 -4.267 -5.088 1.844
197 2HD PRO 30 1HD PRO 30 -3.023 -5.256 3.115
198 H SER 31 H SER 31 -6.388 -9.693 2.949
199 HA SER 31 HA SER 31 -7.299 -9.611 0.308
200 1HB SER 31 2HB SER 31 -7.532 -11.718 1.916
201 2HB SER 31 1HB SER 31 -8.895 -10.866 2.670
202 HG SER 31 HG SER 31 -8.880 -12.272 0.391
203 H GLY 32 H GLY 32 -8.202 -8.115 -0.448
204 1HA GLY 32 2HA GLY 32 -10.555 -7.016 -0.629
205 2HA GLY 32 1HA GLY 32 -10.104 -6.343 0.951
206 H TRP 33 H TRP 33 -7.195 -6.721 -0.512
207 HA TRP 33 HA TRP 33 -7.232 -4.052 -1.767
208 1HB TRP 33 2HB TRP 33 -5.181 -5.541 -0.016
209 2HB TRP 33 1HB TRP 33 -4.754 -4.094 -0.888
210 HD1 TRP 33 HD1 TRP 33 -7.693 -4.997 1.602
211 HE1 TRP 33 HE1 TRP 33 -7.937 -2.885 2.953
212 HE3 TRP 33 HE3 TRP 33 -4.072 -2.182 -0.473
213 HZ2 TRP 33 HZ2 TRP 33 -6.766 -0.222 3.173
214 HZ3 TRP 33 HZ3 TRP 33 -3.657 0.065 0.246
215 HH2 TRP 33 HH2 TRP 33 -4.947 1.085 2.051
216 H HIS 34 H HIS 34 -4.683 -4.457 -2.791
217 HA HIS 34 HA HIS 34 -4.868 -6.683 -4.623
218 1HB HIS 34 2HB HIS 34 -4.651 -3.754 -5.401
219 2HB HIS 34 1HB HIS 34 -4.243 -5.012 -6.554
220 HD1 HIS 34 HD1 HIS 34 -6.291 -6.230 -7.579
221 HD2 HIS 34 HD2 HIS 34 -7.386 -3.544 -4.685
222 HE1 HIS 34 HE1 HIS 34 -8.737 -6.003 -7.722
223 H ASN 35 H ASN 35 -2.811 -4.097 -5.063
224 HA ASN 35 HA ASN 35 -0.405 -4.752 -3.772
225 1HB ASN 35 2HB ASN 35 0.963 -5.804 -5.491
226 2HB ASN 35 1HB ASN 35 -0.508 -6.755 -5.502
227 1HD2 ASN 35 2HD2 ASN 35 -1.610 -5.171 -8.606
228 2HD2 ASN 35 1HD2 ASN 35 -2.273 -5.497 -7.070
229 H CYS 36 H CYS 36 1.261 -3.254 -4.478
230 HA CYS 36 HA CYS 36 0.520 -1.293 -6.571
231 1HB CYS 36 2HB CYS 36 -0.234 -0.797 -3.929
232 2HB CYS 36 1HB CYS 36 1.219 0.158 -4.098
233 H LYS 37 H LYS 37 2.824 -2.116 -3.960
234 HA LYS 37 HA LYS 37 4.980 -0.942 -5.570
235 1HB LYS 37 2HB LYS 37 4.595 -1.702 -2.718
236 2HB LYS 37 1HB LYS 37 6.222 -1.734 -3.224
237 1HG LYS 37 2HG LYS 37 4.387 0.637 -3.394
238 2HG LYS 37 1HG LYS 37 5.694 0.416 -2.258
239 1HD LYS 37 2HD LYS 37 6.853 0.031 -4.873
240 2HD LYS 37 1HD LYS 37 5.810 1.443 -4.968
241 1HE LYS 37 2HE LYS 37 6.887 2.186 -2.741
242 2HE LYS 37 1HE LYS 37 8.068 0.920 -3.036
243 1HZ LYS 37 1HZ LYS 37 7.719 2.438 -5.406
244 2HZ LYS 37 3HZ LYS 37 7.992 3.496 -4.140
245 3HZ LYS 37 2HZ LYS 37 9.127 2.284 -4.459
246 H ALA 38 H ALA 38 5.560 -2.295 -7.011
247 HA ALA 38 HA ALA 38 5.380 -5.154 -6.946
248 1HB ALA 38 2HB ALA 38 5.455 -3.877 -9.070
249 2HB ALA 38 1HB ALA 38 7.099 -3.368 -8.710
250 3HB ALA 38 3HB ALA 38 6.765 -5.051 -9.031
251 H HIS 39 H HIS 39 7.095 -3.894 -4.770
252 HA HIS 39 HA HIS 39 9.359 -5.794 -5.041
253 1HB HIS 39 2HB HIS 39 9.538 -2.876 -4.244
254 2HB HIS 39 1HB HIS 39 10.829 -4.044 -4.012
255 HD1 HIS 39 HD1 HIS 39 10.080 -1.629 -6.353
256 HD2 HIS 39 HD2 HIS 39 11.013 -5.569 -6.825
257 HE1 HIS 39 HE1 HIS 39 10.854 -1.890 -8.688
258 H GLY 40 H GLY 40 7.002 -4.488 -2.909
259 1HA GLY 40 2HA GLY 40 6.811 -6.192 -0.985
260 2HA GLY 40 1HA GLY 40 8.422 -5.690 -0.590
261 HA PRO 41 HA PRO 41 9.504 -3.970 -0.579
262 1HB PRO 41 2HB PRO 41 10.633 -1.823 0.562
263 2HB PRO 41 1HB PRO 41 9.451 -1.559 -0.727
264 1HG PRO 41 2HG PRO 41 8.950 -1.523 2.313
265 2HG PRO 41 1HG PRO 41 8.501 -0.296 1.128
266 1HD PRO 41 2HD PRO 41 6.792 -2.379 1.965
267 2HD PRO 41 1HD PRO 41 6.606 -1.539 0.418
268 H THR 42 H THR 42 11.590 -3.500 1.224
269 HA THR 42 HA THR 42 11.346 -5.756 2.976
270 HB THR 42 HB THR 42 13.804 -4.839 3.491
271 HG1 THR 42 HG1 THR 42 13.898 -2.857 2.755
272 1HG2 THR 42 2HG2 THR 42 12.986 -5.204 0.534
273 2HG2 THR 42 1HG2 THR 42 14.596 -5.448 1.193
274 3HG2 THR 42 3HG2 THR 42 13.302 -6.562 1.598
275 H ILE 43 H ILE 43 9.654 -3.384 3.508
276 HA ILE 43 HA ILE 43 10.043 -3.224 6.424
277 HB ILE 43 HB ILE 43 9.638 -0.682 4.725
278 1HG1 ILE 43 2HG1 ILE 43 11.995 -0.092 5.941
279 2HG1 ILE 43 1HG1 ILE 43 12.189 -1.829 5.891
280 1HG2 ILE 43 2HG2 ILE 43 10.085 -1.013 7.720
281 2HG2 ILE 43 1HG2 ILE 43 9.920 0.521 6.880
282 3HG2 ILE 43 3HG2 ILE 43 8.568 -0.589 6.939
283 1HD1 ILE 43 1HD1 ILE 43 11.829 -1.776 3.393
284 2HD1 ILE 43 3HD1 ILE 43 11.645 -0.040 3.481
285 3HD1 ILE 43 2HD1 ILE 43 13.185 -0.773 3.887
286 H GLY 44 H GLY 44 8.128 -4.312 6.700
287 1HA GLY 44 2HA GLY 44 5.797 -4.805 6.576
288 2HA GLY 44 1HA GLY 44 5.590 -3.047 6.360
289 H TRP 45 H TRP 45 4.001 -3.357 4.602
290 HA TRP 45 HA TRP 45 5.380 -4.035 2.068
291 1HB TRP 45 2HB TRP 45 2.595 -4.926 2.646
292 2HB TRP 45 1HB TRP 45 3.504 -5.258 1.197
293 HD1 TRP 45 HD1 TRP 45 4.030 -6.200 5.035
294 HE1 TRP 45 HE1 TRP 45 4.703 -8.624 4.956
295 HE3 TRP 45 HE3 TRP 45 4.067 -6.989 0.060
296 HZ2 TRP 45 HZ2 TRP 45 5.192 -10.742 3.076
297 HZ3 TRP 45 HZ3 TRP 45 4.632 -9.207 -0.878
298 HH2 TRP 45 HH2 TRP 45 5.203 -11.074 0.629
299 H CYS 46 H CYS 46 4.381 -3.047 0.288
300 HA CYS 46 HA CYS 46 2.577 -0.756 0.876
301 1HB CYS 46 2HB CYS 46 4.975 -1.200 -0.777
302 2HB CYS 46 1HB CYS 46 3.850 -0.065 -1.398
303 H CYS 47 H CYS 47 0.613 -1.090 0.127
304 HA CYS 47 HA CYS 47 0.213 -2.302 -2.536
305 1HB CYS 47 2HB CYS 47 -0.119 -4.015 -0.645
306 2HB CYS 47 1HB CYS 47 -1.495 -3.072 -0.140
307 H LYS 48 H LYS 48 -2.503 -2.240 -2.641
308 HA LYS 48 HA LYS 48 -3.496 0.371 -1.716
309 1HB LYS 48 2HB LYS 48 -2.360 0.910 -3.879
310 2HB LYS 48 1HB LYS 48 -3.317 -0.308 -4.700
311 1HG LYS 48 2HG LYS 48 -4.238 1.974 -5.062
312 2HG LYS 48 1HG LYS 48 -5.406 0.999 -4.203
313 1HD LYS 48 2HD LYS 48 -4.743 2.120 -2.030
314 2HD LYS 48 1HD LYS 48 -3.416 2.886 -2.844
315 1HE LYS 48 2HE LYS 48 -5.194 4.504 -2.467
316 2HE LYS 48 1HE LYS 48 -4.894 4.283 -4.176
317 1HZ LYS 48 3HZ LYS 48 -6.819 2.387 -3.362
318 2HZ LYS 48 2HZ LYS 48 -7.304 3.877 -2.772
319 3HZ LYS 48 1HZ LYS 48 -7.022 3.646 -4.433
320 H GLN 49 H GLN 49 -5.811 0.501 -1.849
321 HA GLN 49 HA GLN 49 -7.172 -1.963 -2.084
322 1HB GLN 49 2HB GLN 49 -6.959 -0.157 -0.024
323 2HB GLN 49 1HB GLN 49 -8.190 0.680 -0.952
324 1HG GLN 49 2HG GLN 49 -9.314 -1.338 -1.220
325 2HG GLN 49 1HG GLN 49 -8.141 -2.121 -0.121
326 1HE2 GLN 49 2HE2 GLN 49 -10.798 -1.386 2.258
327 2HE2 GLN 49 1HE2 GLN 49 -10.313 -2.583 1.144
No H/Q in entry = 327
Start of MODEL 18
Raw file had 333 H/Q atoms
Start of MODEL 18
1 1H GLY 1 1H GLY 1 -2.996 5.071 8.972
2 2H GLY 1 3H GLY 1 -4.068 3.761 8.873
3 3H GLY 1 2H GLY 1 -3.025 3.901 10.210
4 1HA GLY 1 2HA GLY 1 -1.413 2.789 9.119
5 2HA GLY 1 1HA GLY 1 -2.506 2.641 7.721
6 H VAL 2 H VAL 2 -0.045 3.049 6.840
7 HA VAL 2 HA VAL 2 0.144 5.978 6.250
8 HB VAL 2 HB VAL 2 2.461 3.981 6.476
9 1HG1 VAL 2 1HG1 VAL 2 2.499 7.027 6.296
10 2HG1 VAL 2 3HG1 VAL 2 3.901 6.000 6.523
11 3HG1 VAL 2 2HG1 VAL 2 3.007 5.914 5.029
12 1HG2 VAL 2 3HG2 VAL 2 1.554 6.053 8.530
13 2HG2 VAL 2 2HG2 VAL 2 1.465 4.309 8.726
14 3HG2 VAL 2 1HG2 VAL 2 3.024 5.095 8.633
15 H SER 3 H SER 3 1.213 6.323 4.137
16 HA SER 3 HA SER 3 0.563 4.157 2.221
17 1HB SER 3 2HB SER 3 0.212 7.152 1.988
18 2HB SER 3 1HB SER 3 -0.032 6.047 0.665
19 HG SER 3 HG SER 3 -1.778 5.394 1.520
20 H CYS 4 H CYS 4 1.411 4.615 0.043
21 HA CYS 4 HA CYS 4 4.197 5.614 0.080
22 1HB CYS 4 2HB CYS 4 4.022 2.950 -1.182
23 2HB CYS 4 1HB CYS 4 5.252 3.623 -0.156
24 H LEU 5 H LEU 5 5.264 5.426 -2.045
25 HA LEU 5 HA LEU 5 3.569 6.375 -4.170
26 1HB LEU 5 2HB LEU 5 6.057 7.013 -3.344
27 2HB LEU 5 1HB LEU 5 6.518 5.731 -4.455
28 HG LEU 5 HG LEU 5 4.732 8.007 -4.991
29 1HD1 LEU 5 2HD1 LEU 5 7.059 8.828 -4.668
30 2HD1 LEU 5 1HD1 LEU 5 7.664 7.615 -5.795
31 3HD1 LEU 5 3HD1 LEU 5 6.683 8.949 -6.381
32 1HD2 LEU 5 3HD2 LEU 5 5.983 5.998 -6.962
33 2HD2 LEU 5 2HD2 LEU 5 4.268 6.153 -6.603
34 3HD2 LEU 5 1HD2 LEU 5 5.090 7.415 -7.479
35 H CYS 6 H CYS 6 2.414 4.807 -5.274
36 HA CYS 6 HA CYS 6 3.641 2.167 -5.623
37 1HB CYS 6 2HB CYS 6 0.932 3.147 -6.473
38 2HB CYS 6 1HB CYS 6 1.507 1.536 -6.507
39 H ASP 7 H ASP 7 3.565 1.103 -7.666
40 HA ASP 7 HA ASP 7 4.966 2.532 -9.708
41 1HB ASP 7 2HB ASP 7 3.946 -0.245 -9.274
42 2HB ASP 7 1HB ASP 7 4.301 0.276 -10.900
43 H SER 8 H SER 8 2.181 3.314 -9.225
44 HA SER 8 HA SER 8 1.432 3.783 -12.053
45 1HB SER 8 2HB SER 8 -0.498 2.500 -10.043
46 2HB SER 8 1HB SER 8 -0.937 3.055 -11.665
47 HG SER 8 HG SER 8 1.310 1.617 -11.898
48 H ASP 9 H ASP 9 2.281 5.253 -9.531
49 HA ASP 9 HA ASP 9 0.028 7.142 -9.181
50 1HB ASP 9 2HB ASP 9 2.865 7.143 -7.966
51 2HB ASP 9 1HB ASP 9 1.564 8.179 -7.424
52 H GLY 10 H GLY 10 2.019 9.302 -8.785
53 1HA GLY 10 2HA GLY 10 3.324 9.939 -11.216
54 2HA GLY 10 1HA GLY 10 1.776 10.820 -11.032
55 HA PRO 11 HA PRO 11 5.161 12.325 -8.004
56 1HB PRO 11 2HB PRO 11 6.745 14.060 -9.278
57 2HB PRO 11 1HB PRO 11 6.957 12.317 -9.505
58 1HG PRO 11 2HG PRO 11 5.330 14.260 -11.243
59 2HG PRO 11 1HG PRO 11 6.604 13.158 -11.776
60 1HD PRO 11 2HD PRO 11 3.929 12.450 -11.902
61 2HD PRO 11 1HD PRO 11 5.183 11.236 -11.564
62 H SER 12 H SER 12 4.828 14.098 -6.586
63 HA SER 12 HA SER 12 3.660 16.602 -7.614
64 1HB SER 12 2HB SER 12 1.614 16.482 -6.253
65 2HB SER 12 1HB SER 12 1.691 14.944 -7.096
66 HG SER 12 HG SER 12 2.898 14.226 -5.120
67 H VAL 13 H VAL 13 3.141 17.704 -5.128
68 HA VAL 13 HA VAL 13 5.840 18.196 -4.237
69 HB VAL 13 HB VAL 13 4.726 19.635 -2.453
70 1HG1 VAL 13 1HG1 VAL 13 5.117 20.538 -4.732
71 2HG1 VAL 13 3HG1 VAL 13 3.564 19.926 -5.264
72 3HG1 VAL 13 2HG1 VAL 13 3.643 21.189 -4.052
73 1HG2 VAL 13 2HG2 VAL 13 2.723 18.212 -2.020
74 2HG2 VAL 13 1HG2 VAL 13 2.264 19.853 -2.431
75 3HG2 VAL 13 3HG2 VAL 13 2.100 18.576 -3.620
76 H ARG 14 H ARG 14 6.291 18.213 -1.769
77 HA ARG 14 HA ARG 14 6.324 15.415 -0.966
78 1HB ARG 14 2HB ARG 14 7.205 17.970 0.499
79 2HB ARG 14 1HB ARG 14 7.498 16.374 1.134
80 1HG ARG 14 2HG ARG 14 8.459 16.847 -1.672
81 2HG ARG 14 1HG ARG 14 9.285 17.746 -0.417
82 1HD ARG 14 2HD ARG 14 10.437 15.585 -0.880
83 2HD ARG 14 1HD ARG 14 9.865 15.656 0.776
84 HE ARG 14 HE ARG 14 7.856 14.445 -0.910
85 1HH1 ARG 14 1HH2 ARG 14 9.355 13.642 1.746
86 2HH1 ARG 14 2HH2 ARG 14 9.857 12.048 1.352
87 1HH2 ARG 14 2HH1 ARG 14 9.145 12.649 -2.102
88 2HH2 ARG 14 1HH1 ARG 14 9.672 11.412 -1.022
89 H GLY 15 H GLY 15 5.642 14.863 1.328
90 1HA GLY 15 2HA GLY 15 3.828 14.650 2.884
91 2HA GLY 15 1HA GLY 15 3.492 16.360 2.565
92 H ASN 16 H ASN 16 3.783 14.383 -0.111
93 HA ASN 16 HA ASN 16 1.095 13.435 -0.528
94 1HB ASN 16 2HB ASN 16 0.945 15.970 -1.050
95 2HB ASN 16 1HB ASN 16 2.167 15.716 -2.293
96 1HD2 ASN 16 2HD2 ASN 16 -0.849 15.425 -4.248
97 2HD2 ASN 16 1HD2 ASN 16 0.278 16.573 -3.692
98 H THR 17 H THR 17 1.288 12.774 -3.084
99 HA THR 17 HA THR 17 2.428 11.720 -4.806
100 HB THR 17 HB THR 17 5.042 12.014 -3.280
101 HG1 THR 17 HG1 THR 17 4.564 14.168 -3.570
102 1HG2 THR 17 1HG2 THR 17 4.247 12.030 -6.242
103 2HG2 THR 17 3HG2 THR 17 5.915 12.152 -5.660
104 3HG2 THR 17 2HG2 THR 17 5.001 10.663 -5.447
105 H LEU 18 H LEU 18 1.264 10.392 -2.851
106 HA LEU 18 HA LEU 18 2.506 7.680 -2.880
107 1HB LEU 18 2HB LEU 18 2.363 7.338 -0.526
108 2HB LEU 18 1HB LEU 18 3.357 8.738 -0.801
109 HG LEU 18 HG LEU 18 0.508 8.612 0.161
110 1HD1 LEU 18 2HD1 LEU 18 2.296 8.095 1.827
111 2HD1 LEU 18 1HD1 LEU 18 3.101 9.601 1.447
112 3HD1 LEU 18 3HD1 LEU 18 1.532 9.622 2.243
113 1HD2 LEU 18 2HD2 LEU 18 2.146 11.121 -0.382
114 2HD2 LEU 18 1HD2 LEU 18 0.640 10.655 -1.181
115 3HD2 LEU 18 3HD2 LEU 18 0.620 11.092 0.499
116 H SER 19 H SER 19 0.926 6.623 -3.928
117 HA SER 19 HA SER 19 -1.900 7.257 -3.186
118 1HB SER 19 2HB SER 19 -1.114 7.442 -5.626
119 2HB SER 19 1HB SER 19 -1.024 5.676 -5.627
120 HG SER 19 HG SER 19 -3.224 5.867 -4.564
121 H GLY 20 H GLY 20 0.362 4.859 -2.532
122 1HA GLY 20 2HA GLY 20 -1.620 2.755 -2.445
123 2HA GLY 20 1HA GLY 20 0.072 2.548 -2.062
124 H THR 21 H THR 21 -0.785 1.383 -0.139
125 HA THR 21 HA THR 21 -0.933 3.042 2.186
126 HB THR 21 HB THR 21 -2.764 0.671 1.904
127 HG1 THR 21 HG1 THR 21 -3.039 3.239 0.873
128 1HG2 THR 21 1HG2 THR 21 -2.878 3.171 3.671
129 2HG2 THR 21 3HG2 THR 21 -3.958 1.784 3.771
130 3HG2 THR 21 2HG2 THR 21 -2.270 1.612 4.212
131 H LEU 22 H LEU 22 0.120 1.863 3.686
132 HA LEU 22 HA LEU 22 1.405 -0.633 2.752
133 1HB LEU 22 2HB LEU 22 2.996 0.971 3.136
134 2HB LEU 22 1HB LEU 22 2.293 1.595 4.620
135 HG LEU 22 HG LEU 22 3.315 -1.282 4.489
136 1HD1 LEU 22 3HD1 LEU 22 5.070 1.180 4.946
137 2HD1 LEU 22 2HD1 LEU 22 5.577 -0.492 5.120
138 3HD1 LEU 22 1HD1 LEU 22 5.141 0.134 3.540
139 1HD2 LEU 22 2HD2 LEU 22 3.328 0.890 6.646
140 2HD2 LEU 22 1HD2 LEU 22 2.156 -0.414 6.569
141 3HD2 LEU 22 3HD2 LEU 22 3.857 -0.765 6.834
142 H TRP 23 H TRP 23 1.435 -2.321 3.929
143 HA TRP 23 HA TRP 23 -0.398 -2.505 6.265
144 1HB TRP 23 2HB TRP 23 0.015 -4.314 3.831
145 2HB TRP 23 1HB TRP 23 -0.736 -4.958 5.290
146 HD1 TRP 23 HD1 TRP 23 -1.544 -2.501 2.320
147 HE1 TRP 23 HE1 TRP 23 -3.882 -1.736 2.711
148 HE3 TRP 23 HE3 TRP 23 -2.394 -4.476 6.923
149 HZ2 TRP 23 HZ2 TRP 23 -5.934 -1.815 4.653
150 HZ3 TRP 23 HZ3 TRP 23 -4.582 -4.029 8.027
151 HH2 TRP 23 HH2 TRP 23 -6.331 -2.732 6.894
152 H LEU 24 H LEU 24 0.375 -3.388 7.994
153 HA LEU 24 HA LEU 24 3.225 -4.072 8.182
154 1HB LEU 24 2HB LEU 24 1.274 -4.192 10.516
155 2HB LEU 24 1HB LEU 24 2.975 -3.802 10.525
156 HG LEU 24 HG LEU 24 0.828 -2.048 9.312
157 1HD1 LEU 24 2HD1 LEU 24 0.679 -2.124 11.802
158 2HD1 LEU 24 1HD1 LEU 24 2.388 -1.735 11.927
159 3HD1 LEU 24 3HD1 LEU 24 1.262 -0.556 11.282
160 1HD2 LEU 24 1HD2 LEU 24 3.088 -1.829 8.293
161 2HD2 LEU 24 3HD2 LEU 24 2.689 -0.367 9.184
162 3HD2 LEU 24 2HD2 LEU 24 3.799 -1.546 9.861
163 H TYR 25 H TYR 25 0.309 -5.398 7.927
164 HA TYR 25 HA TYR 25 0.344 -7.878 9.247
165 1HB TYR 25 2HB TYR 25 -0.781 -7.161 6.510
166 2HB TYR 25 1HB TYR 25 -1.215 -8.605 7.303
167 HD1 TYR 25 HD1 TYR 25 -0.906 -6.125 9.900
168 HD2 TYR 25 HD2 TYR 25 -3.471 -7.597 6.818
169 HE1 TYR 25 HE1 TYR 25 -2.841 -5.143 11.023
170 HE2 TYR 25 HE2 TYR 25 -5.387 -6.614 7.953
171 HH TYR 25 HH TYR 25 -6.083 -5.712 9.921
172 HA PRO 26 HA PRO 26 3.826 -9.660 7.646
173 1HB PRO 26 2HB PRO 26 3.520 -12.344 8.158
174 2HB PRO 26 1HB PRO 26 3.663 -11.161 9.462
175 1HG PRO 26 2HG PRO 26 1.083 -12.286 8.223
176 2HG PRO 26 1HG PRO 26 1.516 -12.212 9.934
177 1HD PRO 26 2HD PRO 26 -0.046 -10.265 8.833
178 2HD PRO 26 1HD PRO 26 1.190 -9.831 10.037
179 H SER 27 H SER 27 1.017 -10.249 6.144
180 HA SER 27 HA SER 27 2.379 -11.459 3.750
181 1HB SER 27 2HB SER 27 0.136 -12.307 3.135
182 2HB SER 27 1HB SER 27 0.660 -12.993 4.686
183 HG SER 27 HG SER 27 -1.319 -11.100 4.180
184 H GLY 28 H GLY 28 1.788 -8.704 4.843
185 1HA GLY 28 2HA GLY 28 1.404 -6.623 3.997
186 2HA GLY 28 1HA GLY 28 1.558 -7.370 2.427
187 H CYS 29 H CYS 29 0.142 -7.013 1.217
188 HA CYS 29 HA CYS 29 -2.099 -5.609 1.557
189 1HB CYS 29 2HB CYS 29 -0.867 -6.477 -0.617
190 2HB CYS 29 1HB CYS 29 -2.218 -7.591 -0.639
191 HA PRO 30 HA PRO 30 -4.756 -8.748 3.360
192 1HB PRO 30 2HB PRO 30 -6.622 -7.083 4.436
193 2HB PRO 30 1HB PRO 30 -5.016 -7.295 5.134
194 1HG PRO 30 2HG PRO 30 -6.010 -4.949 3.483
195 2HG PRO 30 1HG PRO 30 -4.855 -5.016 4.796
196 1HD PRO 30 2HD PRO 30 -4.255 -5.005 2.014
197 2HD PRO 30 1HD PRO 30 -3.103 -5.324 3.337
198 H SER 31 H SER 31 -6.097 -9.821 2.359
199 HA SER 31 HA SER 31 -7.132 -9.561 -0.150
200 1HB SER 31 2HB SER 31 -8.857 -11.411 0.786
201 2HB SER 31 1HB SER 31 -7.135 -11.789 0.978
202 HG SER 31 HG SER 31 -8.593 -10.221 2.839
203 H GLY 32 H GLY 32 -8.147 -8.011 -0.765
204 1HA GLY 32 2HA GLY 32 -10.609 -7.143 -0.897
205 2HA GLY 32 1HA GLY 32 -10.228 -6.569 0.749
206 H TRP 33 H TRP 33 -7.293 -6.641 -0.531
207 HA TRP 33 HA TRP 33 -7.283 -3.953 -1.627
208 1HB TRP 33 2HB TRP 33 -5.333 -5.623 0.104
209 2HB TRP 33 1HB TRP 33 -4.804 -4.184 -0.718
210 HD1 TRP 33 HD1 TRP 33 -7.773 -5.048 1.700
211 HE1 TRP 33 HE1 TRP 33 -8.055 -2.884 2.975
212 HE3 TRP 33 HE3 TRP 33 -4.172 -2.304 -0.454
213 HZ2 TRP 33 HZ2 TRP 33 -6.862 -0.182 3.094
214 HZ3 TRP 33 HZ3 TRP 33 -3.729 -0.013 0.183
215 HH2 TRP 33 HH2 TRP 33 -5.027 1.057 1.916
216 H HIS 34 H HIS 34 -4.724 -4.308 -2.687
217 HA HIS 34 HA HIS 34 -4.937 -6.579 -4.451
218 1HB HIS 34 2HB HIS 34 -4.878 -3.642 -5.311
219 2HB HIS 34 1HB HIS 34 -4.608 -4.961 -6.455
220 HD1 HIS 34 HD1 HIS 34 -7.377 -3.096 -5.020
221 HD2 HIS 34 HD2 HIS 34 -6.842 -6.907 -6.394
222 HE1 HIS 34 HE1 HIS 34 -9.612 -3.999 -5.430
223 H ASN 35 H ASN 35 -2.895 -4.241 -5.560
224 HA ASN 35 HA ASN 35 -0.564 -4.742 -3.938
225 1HB ASN 35 2HB ASN 35 0.734 -5.871 -5.839
226 2HB ASN 35 1HB ASN 35 -0.542 -6.882 -5.186
227 1HD2 ASN 35 2HD2 ASN 35 -0.626 -6.576 -9.006
228 2HD2 ASN 35 1HD2 ASN 35 0.740 -6.686 -7.997
229 H CYS 36 H CYS 36 1.109 -3.268 -4.648
230 HA CYS 36 HA CYS 36 0.442 -1.484 -6.943
231 1HB CYS 36 2HB CYS 36 -0.124 0.354 -5.732
232 2HB CYS 36 1HB CYS 36 -0.566 -0.819 -4.539
233 H LYS 37 H LYS 37 2.563 -2.328 -4.355
234 HA LYS 37 HA LYS 37 4.904 -1.350 -5.792
235 1HB LYS 37 2HB LYS 37 4.071 -1.561 -2.915
236 2HB LYS 37 1HB LYS 37 5.764 -1.564 -3.121
237 1HG LYS 37 2HG LYS 37 3.894 0.697 -3.968
238 2HG LYS 37 1HG LYS 37 4.918 0.691 -2.557
239 1HD LYS 37 2HD LYS 37 6.210 1.923 -3.937
240 2HD LYS 37 1HD LYS 37 6.929 0.349 -4.005
241 1HE LYS 37 2HE LYS 37 6.527 0.049 -6.187
242 2HE LYS 37 1HE LYS 37 4.869 0.592 -6.083
243 1HZ LYS 37 2HZ LYS 37 6.526 2.846 -5.769
244 2HZ LYS 37 1HZ LYS 37 6.974 1.887 -7.173
245 3HZ LYS 37 3HZ LYS 37 5.441 2.440 -6.996
246 H ALA 38 H ALA 38 5.535 -2.964 -6.866
247 HA ALA 38 HA ALA 38 5.185 -5.743 -5.958
248 1HB ALA 38 1HB ALA 38 6.731 -4.638 -8.374
249 2HB ALA 38 3HB ALA 38 6.348 -6.334 -8.115
250 3HB ALA 38 2HB ALA 38 5.059 -5.175 -8.416
251 H HIS 39 H HIS 39 7.151 -3.444 -5.003
252 HA HIS 39 HA HIS 39 9.462 -5.265 -4.530
253 1HB HIS 39 2HB HIS 39 9.419 -2.214 -4.860
254 2HB HIS 39 1HB HIS 39 10.862 -3.151 -4.458
255 HD1 HIS 39 HD1 HIS 39 10.894 -5.367 -6.360
256 HD2 HIS 39 HD2 HIS 39 9.445 -1.729 -7.556
257 HE1 HIS 39 HE1 HIS 39 11.019 -5.328 -8.823
258 H GLY 40 H GLY 40 9.753 -2.392 -2.799
259 1HA GLY 40 2HA GLY 40 8.959 -3.842 -0.338
260 2HA GLY 40 1HA GLY 40 10.207 -2.627 -0.429
261 HA PRO 41 HA PRO 41 10.531 -1.106 1.049
262 1HB PRO 41 2HB PRO 41 10.046 -0.704 3.705
263 2HB PRO 41 1HB PRO 41 9.812 0.580 2.513
264 1HG PRO 41 2HG PRO 41 7.716 -1.374 3.601
265 2HG PRO 41 1HG PRO 41 7.630 0.392 3.580
266 1HD PRO 41 2HD PRO 41 6.461 -1.034 1.564
267 2HD PRO 41 1HD PRO 41 7.341 0.456 1.163
268 H THR 42 H THR 42 11.861 -2.489 2.679
269 HA THR 42 HA THR 42 11.054 -5.242 2.383
270 HB THR 42 HB THR 42 13.281 -4.491 4.338
271 HG1 THR 42 HG1 THR 42 14.388 -3.471 2.765
272 1HG2 THR 42 3HG2 THR 42 13.231 -6.135 1.734
273 2HG2 THR 42 2HG2 THR 42 14.511 -6.150 2.938
274 3HG2 THR 42 1HG2 THR 42 12.944 -6.847 3.313
275 H ILE 43 H ILE 43 10.688 -2.853 4.766
276 HA ILE 43 HA ILE 43 9.695 -4.786 6.797
277 HB ILE 43 HB ILE 43 11.380 -3.326 7.724
278 1HG1 ILE 43 2HG1 ILE 43 10.226 -1.947 9.416
279 2HG1 ILE 43 1HG1 ILE 43 8.736 -2.032 8.504
280 1HG2 ILE 43 3HG2 ILE 43 9.961 -0.937 6.476
281 2HG2 ILE 43 2HG2 ILE 43 11.357 -0.839 7.529
282 3HG2 ILE 43 1HG2 ILE 43 11.505 -1.598 5.962
283 1HD1 ILE 43 2HD1 ILE 43 10.208 -4.421 9.721
284 2HD1 ILE 43 1HD1 ILE 43 8.753 -3.683 10.362
285 3HD1 ILE 43 3HD1 ILE 43 8.696 -4.529 8.832
286 H GLY 44 H GLY 44 7.612 -5.190 6.372
287 1HA GLY 44 2HA GLY 44 5.279 -4.656 6.501
288 2HA GLY 44 1HA GLY 44 5.660 -2.945 6.234
289 H TRP 45 H TRP 45 3.759 -3.592 4.520
290 HA TRP 45 HA TRP 45 5.225 -4.176 1.962
291 1HB TRP 45 2HB TRP 45 2.408 -5.126 2.482
292 2HB TRP 45 1HB TRP 45 3.415 -5.500 1.113
293 HD1 TRP 45 HD1 TRP 45 4.044 -6.129 5.001
294 HE1 TRP 45 HE1 TRP 45 4.517 -8.583 5.132
295 HE3 TRP 45 HE3 TRP 45 3.576 -7.393 0.152
296 HZ2 TRP 45 HZ2 TRP 45 4.667 -10.931 3.428
297 HZ3 TRP 45 HZ3 TRP 45 3.871 -9.725 -0.594
298 HH2 TRP 45 HH2 TRP 45 4.417 -11.484 1.045
299 H CYS 46 H CYS 46 4.661 -2.724 0.288
300 HA CYS 46 HA CYS 46 2.550 -0.753 0.984
301 1HB CYS 46 2HB CYS 46 4.912 -0.845 -0.871
302 2HB CYS 46 1HB CYS 46 3.667 0.315 -1.172
303 H CYS 47 H CYS 47 0.676 -0.764 -0.047
304 HA CYS 47 HA CYS 47 0.343 -2.117 -2.637
305 1HB CYS 47 2HB CYS 47 0.101 -3.789 -0.711
306 2HB CYS 47 1HB CYS 47 -1.297 -2.877 -0.186
307 H LYS 48 H LYS 48 -2.423 -2.093 -2.727
308 HA LYS 48 HA LYS 48 -3.359 0.551 -1.824
309 1HB LYS 48 2HB LYS 48 -3.947 1.289 -4.142
310 2HB LYS 48 1HB LYS 48 -2.215 1.082 -4.058
311 1HG LYS 48 2HG LYS 48 -2.369 -1.148 -5.165
312 2HG LYS 48 1HG LYS 48 -4.085 -1.115 -5.090
313 1HD LYS 48 2HD LYS 48 -2.502 1.010 -6.590
314 2HD LYS 48 1HD LYS 48 -2.957 -0.494 -7.345
315 1HE LYS 48 2HE LYS 48 -4.903 1.556 -6.136
316 2HE LYS 48 1HE LYS 48 -4.617 1.292 -7.843
317 1HZ LYS 48 1HZ LYS 48 -5.290 -1.192 -6.607
318 2HZ LYS 48 3HZ LYS 48 -6.370 -0.117 -6.105
319 3HZ LYS 48 2HZ LYS 48 -6.179 -0.342 -7.782
320 H GLN 49 H GLN 49 -5.870 0.571 -2.363
321 HA GLN 49 HA GLN 49 -6.659 -2.119 -2.054
322 1HB GLN 49 2HB GLN 49 -7.554 0.384 -1.062
323 2HB GLN 49 1HB GLN 49 -8.693 0.093 -2.386
324 1HG GLN 49 2HG GLN 49 -8.664 -2.264 -1.617
325 2HG GLN 49 1HG GLN 49 -7.895 -1.665 -0.147
326 1HE2 GLN 49 2HE2 GLN 49 -11.607 -1.980 0.223
327 2HE2 GLN 49 1HE2 GLN 49 -10.444 -3.047 -0.432
No H/Q in entry = 327
Start of MODEL 19
Raw file had 333 H/Q atoms
Start of MODEL 19
1 1H GLY 1 2H GLY 1 -1.952 5.763 10.384
2 2H GLY 1 1H GLY 1 -3.504 5.153 10.682
3 3H GLY 1 3H GLY 1 -2.132 4.262 11.165
4 1HA GLY 1 2HA GLY 1 -2.063 3.228 9.196
5 2HA GLY 1 1HA GLY 1 -3.454 4.201 8.655
6 H VAL 2 H VAL 2 -1.152 3.659 6.917
7 HA VAL 2 HA VAL 2 -0.389 6.429 6.418
8 HB VAL 2 HB VAL 2 1.347 6.003 7.797
9 1HG1 VAL 2 2HG1 VAL 2 1.573 3.126 6.744
10 2HG1 VAL 2 1HG1 VAL 2 2.628 3.820 7.969
11 3HG1 VAL 2 3HG1 VAL 2 0.934 3.588 8.316
12 1HG2 VAL 2 2HG2 VAL 2 2.336 6.690 5.658
13 2HG2 VAL 2 1HG2 VAL 2 3.435 5.609 6.496
14 3HG2 VAL 2 3HG2 VAL 2 2.481 5.017 5.152
15 H SER 3 H SER 3 -0.312 6.878 4.441
16 HA SER 3 HA SER 3 -1.000 5.002 2.384
17 1HB SER 3 2HB SER 3 -0.089 7.894 1.974
18 2HB SER 3 1HB SER 3 -1.227 6.942 1.001
19 HG SER 3 HG SER 3 -2.684 7.610 2.347
20 H CYS 4 H CYS 4 0.278 5.044 0.250
21 HA CYS 4 HA CYS 4 3.181 5.372 0.389
22 1HB CYS 4 2HB CYS 4 2.869 3.096 1.452
23 2HB CYS 4 1HB CYS 4 2.041 2.564 0.000
24 H LEU 5 H LEU 5 4.043 5.511 -1.740
25 HA LEU 5 HA LEU 5 2.174 5.916 -3.905
26 1HB LEU 5 2HB LEU 5 3.946 6.776 -4.999
27 2HB LEU 5 1HB LEU 5 4.466 7.050 -3.371
28 HG LEU 5 HG LEU 5 5.387 4.751 -5.145
29 1HD1 LEU 5 1HD1 LEU 5 6.745 7.254 -4.151
30 2HD1 LEU 5 3HD1 LEU 5 7.528 5.967 -5.072
31 3HD1 LEU 5 2HD1 LEU 5 6.227 6.900 -5.797
32 1HD2 LEU 5 2HD2 LEU 5 6.267 5.501 -2.310
33 2HD2 LEU 5 1HD2 LEU 5 5.357 4.060 -2.730
34 3HD2 LEU 5 3HD2 LEU 5 6.996 4.249 -3.303
35 H CYS 6 H CYS 6 2.524 4.855 -5.963
36 HA CYS 6 HA CYS 6 2.815 1.901 -5.564
37 1HB CYS 6 2HB CYS 6 1.347 3.544 -7.659
38 2HB CYS 6 1HB CYS 6 1.354 1.789 -7.599
39 H ASP 7 H ASP 7 3.626 0.825 -7.805
40 HA ASP 7 HA ASP 7 6.278 2.001 -8.258
41 1HB ASP 7 2HB ASP 7 5.303 -0.610 -8.410
42 2HB ASP 7 1HB ASP 7 5.411 -0.160 -10.108
43 H SER 8 H SER 8 3.335 2.553 -9.605
44 HA SER 8 HA SER 8 4.427 3.447 -12.213
45 1HB SER 8 2HB SER 8 2.198 2.286 -12.253
46 2HB SER 8 1HB SER 8 1.537 3.473 -11.116
47 HG SER 8 HG SER 8 2.433 5.034 -12.836
48 H ASP 9 H ASP 9 4.139 4.557 -9.086
49 HA ASP 9 HA ASP 9 3.547 7.351 -9.813
50 1HB ASP 9 2HB ASP 9 4.129 5.970 -7.167
51 2HB ASP 9 1HB ASP 9 3.936 7.703 -7.307
52 H GLY 10 H GLY 10 5.172 7.988 -11.005
53 1HA GLY 10 2HA GLY 10 7.971 7.885 -9.948
54 2HA GLY 10 1HA GLY 10 7.518 8.140 -11.642
55 HA PRO 11 HA PRO 11 6.191 12.159 -9.495
56 1HB PRO 11 2HB PRO 11 6.946 12.743 -6.947
57 2HB PRO 11 1HB PRO 11 5.524 11.751 -7.282
58 1HG PRO 11 2HG PRO 11 8.407 10.831 -6.718
59 2HG PRO 11 1HG PRO 11 6.953 10.290 -5.870
60 1HD PRO 11 2HD PRO 11 7.950 8.795 -7.932
61 2HD PRO 11 1HD PRO 11 6.193 9.027 -7.762
62 H SER 12 H SER 12 7.268 14.223 -8.701
63 HA SER 12 HA SER 12 9.871 14.428 -10.025
64 1HB SER 12 2HB SER 12 9.249 16.994 -9.546
65 2HB SER 12 1HB SER 12 8.267 16.101 -10.721
66 HG SER 12 HG SER 12 7.719 16.652 -7.978
67 H VAL 13 H VAL 13 11.448 16.079 -9.005
68 HA VAL 13 HA VAL 13 12.160 15.052 -6.389
69 HB VAL 13 HB VAL 13 13.941 16.735 -6.492
70 1HG1 VAL 13 1HG1 VAL 13 14.280 14.475 -7.479
71 2HG1 VAL 13 3HG1 VAL 13 13.596 14.998 -9.005
72 3HG1 VAL 13 2HG1 VAL 13 15.141 15.633 -8.472
73 1HG2 VAL 13 2HG2 VAL 13 12.894 18.550 -7.912
74 2HG2 VAL 13 1HG2 VAL 13 14.386 18.013 -8.630
75 3HG2 VAL 13 3HG2 VAL 13 12.859 17.476 -9.291
76 H ARG 14 H ARG 14 10.374 15.499 -5.395
77 HA ARG 14 HA ARG 14 9.567 16.575 -3.382
78 1HB ARG 14 2HB ARG 14 11.031 18.687 -3.905
79 2HB ARG 14 1HB ARG 14 9.780 19.174 -5.033
80 1HG ARG 14 2HG ARG 14 8.153 19.304 -3.200
81 2HG ARG 14 1HG ARG 14 9.376 18.732 -2.063
82 1HD ARG 14 2HD ARG 14 10.824 20.724 -2.607
83 2HD ARG 14 1HD ARG 14 9.624 21.297 -3.757
84 HE ARG 14 HE ARG 14 8.054 21.480 -1.726
85 1HH1 ARG 14 1HH2 ARG 14 9.856 20.349 0.174
86 2HH1 ARG 14 2HH2 ARG 14 10.600 21.681 0.982
87 1HH2 ARG 14 2HH1 ARG 14 9.638 23.840 -1.702
88 2HH2 ARG 14 1HH1 ARG 14 10.467 23.835 -0.199
89 H GLY 15 H GLY 15 7.409 16.850 -3.132
90 1HA GLY 15 2HA GLY 15 5.128 17.170 -3.842
91 2HA GLY 15 1HA GLY 15 5.684 17.227 -5.527
92 H ASN 16 H ASN 16 6.664 14.887 -3.125
93 HA ASN 16 HA ASN 16 6.279 12.622 -4.771
94 1HB ASN 16 2HB ASN 16 6.353 11.330 -2.552
95 2HB ASN 16 1HB ASN 16 7.725 12.371 -2.854
96 1HD2 ASN 16 2HD2 ASN 16 5.701 13.049 0.496
97 2HD2 ASN 16 1HD2 ASN 16 5.625 11.556 -0.316
98 H THR 17 H THR 17 4.657 11.178 -5.010
99 HA THR 17 HA THR 17 2.078 11.902 -3.744
100 HB THR 17 HB THR 17 2.028 12.135 -6.273
101 HG1 THR 17 HG1 THR 17 0.087 11.421 -5.897
102 1HG2 THR 17 3HG2 THR 17 3.700 10.240 -6.805
103 2HG2 THR 17 2HG2 THR 17 2.473 9.105 -6.267
104 3HG2 THR 17 1HG2 THR 17 2.182 10.102 -7.674
105 H LEU 18 H LEU 18 0.877 10.205 -2.892
106 HA LEU 18 HA LEU 18 2.013 7.509 -2.835
107 1HB LEU 18 2HB LEU 18 2.098 7.436 -0.366
108 2HB LEU 18 1HB LEU 18 3.282 8.497 -1.091
109 HG LEU 18 HG LEU 18 0.639 9.548 -0.030
110 1HD1 LEU 18 3HD1 LEU 18 1.914 8.272 1.775
111 2HD1 LEU 18 2HD1 LEU 18 3.324 9.242 1.439
112 3HD1 LEU 18 1HD1 LEU 18 1.886 9.993 2.115
113 1HD2 LEU 18 3HD2 LEU 18 3.404 10.864 -0.359
114 2HD2 LEU 18 2HD2 LEU 18 2.048 11.165 -1.417
115 3HD2 LEU 18 1HD2 LEU 18 1.965 11.662 0.249
116 H SER 19 H SER 19 -0.013 7.496 -4.049
117 HA SER 19 HA SER 19 -2.583 7.756 -2.769
118 1HB SER 19 2HB SER 19 -1.793 6.323 -5.342
119 2HB SER 19 1HB SER 19 -3.463 6.596 -4.812
120 HG SER 19 HG SER 19 -1.576 8.410 -5.725
121 H GLY 20 H GLY 20 -0.420 4.994 -2.960
122 1HA GLY 20 2HA GLY 20 -2.453 3.113 -2.311
123 2HA GLY 20 1HA GLY 20 -0.728 2.780 -2.411
124 H THR 21 H THR 21 -0.953 1.558 -0.304
125 HA THR 21 HA THR 21 -0.519 3.225 1.946
126 HB THR 21 HB THR 21 -2.639 1.013 1.934
127 HG1 THR 21 HG1 THR 21 -2.812 3.607 1.188
128 1HG2 THR 21 2HG2 THR 21 -1.637 1.486 4.236
129 2HG2 THR 21 1HG2 THR 21 -2.169 3.153 4.059
130 3HG2 THR 21 3HG2 THR 21 -3.345 1.857 4.111
131 H LEU 22 H LEU 22 0.413 2.078 3.445
132 HA LEU 22 HA LEU 22 1.867 -0.356 2.437
133 1HB LEU 22 2HB LEU 22 3.260 1.422 3.086
134 2HB LEU 22 1HB LEU 22 2.541 1.580 4.662
135 HG LEU 22 HG LEU 22 3.528 -1.086 4.616
136 1HD1 LEU 22 3HD1 LEU 22 5.446 0.698 3.088
137 2HD1 LEU 22 2HD1 LEU 22 5.797 -0.921 3.640
138 3HD1 LEU 22 1HD1 LEU 22 4.573 -0.661 2.409
139 1HD2 LEU 22 1HD2 LEU 22 3.856 0.582 6.448
140 2HD2 LEU 22 3HD2 LEU 22 5.354 -0.241 6.057
141 3HD2 LEU 22 2HD2 LEU 22 5.069 1.392 5.477
142 H TRP 23 H TRP 23 2.042 -2.088 3.651
143 HA TRP 23 HA TRP 23 0.176 -2.403 5.954
144 1HB TRP 23 2HB TRP 23 0.377 -4.063 3.417
145 2HB TRP 23 1HB TRP 23 -0.174 -4.835 4.910
146 HD1 TRP 23 HD1 TRP 23 -1.428 -2.409 2.170
147 HE1 TRP 23 HE1 TRP 23 -3.725 -1.671 2.896
148 HE3 TRP 23 HE3 TRP 23 -1.535 -4.304 6.840
149 HZ2 TRP 23 HZ2 TRP 23 -5.460 -1.794 5.159
150 HZ3 TRP 23 HZ3 TRP 23 -3.500 -3.962 8.287
151 HH2 TRP 23 HH2 TRP 23 -5.468 -2.713 7.447
152 H LEU 24 H LEU 24 0.988 -3.150 7.570
153 HA LEU 24 HA LEU 24 3.760 -4.055 7.745
154 1HB LEU 24 2HB LEU 24 1.957 -3.845 10.152
155 2HB LEU 24 1HB LEU 24 3.653 -3.446 10.002
156 HG LEU 24 HG LEU 24 1.391 -1.872 8.741
157 1HD1 LEU 24 3HD1 LEU 24 3.122 -1.235 11.166
158 2HD1 LEU 24 2HD1 LEU 24 1.954 -0.135 10.462
159 3HD1 LEU 24 1HD1 LEU 24 1.415 -1.630 11.206
160 1HD2 LEU 24 2HD2 LEU 24 4.363 -1.199 8.904
161 2HD2 LEU 24 1HD2 LEU 24 3.495 -1.647 7.448
162 3HD2 LEU 24 3HD2 LEU 24 3.108 -0.150 8.271
163 H TYR 25 H TYR 25 0.788 -5.236 7.439
164 HA TYR 25 HA TYR 25 0.818 -7.651 9.007
165 1HB TYR 25 2HB TYR 25 -0.606 -6.954 6.382
166 2HB TYR 25 1HB TYR 25 -0.828 -8.477 7.112
167 HD1 TYR 25 HD1 TYR 25 -0.598 -6.216 9.894
168 HD2 TYR 25 HD2 TYR 25 -3.209 -7.545 6.795
169 HE1 TYR 25 HE1 TYR 25 -2.541 -5.517 11.212
170 HE2 TYR 25 HE2 TYR 25 -5.135 -6.845 8.117
171 HH TYR 25 HH TYR 25 -5.799 -5.647 9.921
172 HA PRO 26 HA PRO 26 3.983 -9.711 7.364
173 1HB PRO 26 2HB PRO 26 3.370 -12.391 7.432
174 2HB PRO 26 1HB PRO 26 3.525 -11.432 8.907
175 1HG PRO 26 2HG PRO 26 0.959 -12.063 7.335
176 2HG PRO 26 1HG PRO 26 1.240 -12.290 9.062
177 1HD PRO 26 2HD PRO 26 -0.008 -10.049 8.182
178 2HD PRO 26 1HD PRO 26 1.182 -9.909 9.495
179 H SER 27 H SER 27 1.283 -9.909 5.563
180 HA SER 27 HA SER 27 2.864 -10.744 3.141
181 1HB SER 27 2HB SER 27 0.738 -11.710 2.262
182 2HB SER 27 1HB SER 27 1.294 -12.546 3.720
183 HG SER 27 HG SER 27 -0.938 -10.984 3.398
184 H GLY 28 H GLY 28 1.858 -8.212 4.535
185 1HA GLY 28 2HA GLY 28 1.432 -6.044 3.767
186 2HA GLY 28 1HA GLY 28 1.598 -6.705 2.154
187 H CYS 29 H CYS 29 0.118 -6.510 1.009
188 HA CYS 29 HA CYS 29 -2.248 -5.373 1.276
189 1HB CYS 29 2HB CYS 29 -0.938 -6.311 -0.813
190 2HB CYS 29 1HB CYS 29 -2.102 -7.611 -0.670
191 HA PRO 30 HA PRO 30 -4.555 -8.615 3.433
192 1HB PRO 30 2HB PRO 30 -6.500 -6.914 4.461
193 2HB PRO 30 1HB PRO 30 -4.955 -7.228 5.249
194 1HG PRO 30 2HG PRO 30 -5.791 -4.771 3.721
195 2HG PRO 30 1HG PRO 30 -4.577 -4.946 4.968
196 1HD PRO 30 2HD PRO 30 -4.123 -4.823 2.179
197 2HD PRO 30 1HD PRO 30 -2.916 -5.222 3.424
198 H SER 31 H SER 31 -5.801 -9.736 2.364
199 HA SER 31 HA SER 31 -6.836 -9.460 -0.139
200 1HB SER 31 2HB SER 31 -8.428 -11.455 0.672
201 2HB SER 31 1HB SER 31 -6.728 -11.675 1.114
202 HG SER 31 HG SER 31 -8.329 -10.093 2.790
203 H GLY 32 H GLY 32 -7.900 -7.952 -0.769
204 1HA GLY 32 2HA GLY 32 -10.368 -7.090 -0.865
205 2HA GLY 32 1HA GLY 32 -10.007 -6.597 0.800
206 H TRP 33 H TRP 33 -7.100 -6.536 -0.578
207 HA TRP 33 HA TRP 33 -7.130 -3.801 -1.540
208 1HB TRP 33 2HB TRP 33 -5.237 -5.486 0.211
209 2HB TRP 33 1HB TRP 33 -4.664 -4.039 -0.564
210 HD1 TRP 33 HD1 TRP 33 -7.559 -4.977 1.928
211 HE1 TRP 33 HE1 TRP 33 -7.778 -2.863 3.348
212 HE3 TRP 33 HE3 TRP 33 -4.198 -2.144 -0.319
213 HZ2 TRP 33 HZ2 TRP 33 -6.578 -0.121 3.497
214 HZ3 TRP 33 HZ3 TRP 33 -3.692 0.155 0.341
215 HH2 TRP 33 HH2 TRP 33 -4.850 1.182 2.196
216 H HIS 34 H HIS 34 -5.283 -3.721 -2.974
217 HA HIS 34 HA HIS 34 -5.326 -5.813 -4.933
218 1HB HIS 34 2HB HIS 34 -4.625 -2.910 -5.043
219 2HB HIS 34 1HB HIS 34 -4.344 -3.947 -6.436
220 HD1 HIS 34 HD1 HIS 34 -7.263 -2.586 -4.395
221 HD2 HIS 34 HD2 HIS 34 -6.520 -4.778 -7.754
222 HE1 HIS 34 HE1 HIS 34 -9.377 -2.753 -5.562
223 H ASN 35 H ASN 35 -2.868 -3.603 -4.669
224 HA ASN 35 HA ASN 35 -0.578 -4.480 -3.660
225 1HB ASN 35 2HB ASN 35 0.656 -5.610 -5.491
226 2HB ASN 35 1HB ASN 35 -0.707 -6.597 -4.985
227 1HD2 ASN 35 2HD2 ASN 35 -2.341 -6.291 -8.138
228 2HD2 ASN 35 1HD2 ASN 35 -2.540 -6.775 -6.514
229 H CYS 36 H CYS 36 1.185 -3.127 -4.431
230 HA CYS 36 HA CYS 36 0.671 -1.328 -6.719
231 1HB CYS 36 2HB CYS 36 0.179 -0.470 -3.959
232 2HB CYS 36 1HB CYS 36 1.414 0.504 -4.680
233 H LYS 37 H LYS 37 2.846 -2.395 -4.166
234 HA LYS 37 HA LYS 37 5.122 -1.591 -5.846
235 1HB LYS 37 2HB LYS 37 4.770 -1.655 -2.863
236 2HB LYS 37 1HB LYS 37 6.324 -1.276 -3.507
237 1HG LYS 37 2HG LYS 37 3.802 0.392 -3.713
238 2HG LYS 37 1HG LYS 37 5.295 0.820 -2.918
239 1HD LYS 37 2HD LYS 37 4.940 0.559 -5.897
240 2HD LYS 37 1HD LYS 37 5.012 2.049 -4.965
241 1HE LYS 37 2HE LYS 37 7.369 1.258 -4.227
242 2HE LYS 37 1HE LYS 37 7.228 0.076 -5.524
243 1HZ LYS 37 2HZ LYS 37 6.477 2.633 -6.535
244 2HZ LYS 37 1HZ LYS 37 7.983 2.746 -5.773
245 3HZ LYS 37 3HZ LYS 37 7.747 1.573 -6.979
246 H ALA 38 H ALA 38 5.089 -3.603 -6.794
247 HA ALA 38 HA ALA 38 4.995 -6.120 -5.360
248 1HB ALA 38 1HB ALA 38 4.282 -5.919 -7.745
249 2HB ALA 38 3HB ALA 38 5.930 -5.493 -8.189
250 3HB ALA 38 2HB ALA 38 5.580 -7.098 -7.577
251 H HIS 39 H HIS 39 7.058 -4.403 -4.375
252 HA HIS 39 HA HIS 39 9.372 -6.259 -4.713
253 1HB HIS 39 2HB HIS 39 9.560 -3.214 -4.795
254 2HB HIS 39 1HB HIS 39 10.903 -4.323 -4.803
255 HD1 HIS 39 HD1 HIS 39 10.430 -6.214 -6.935
256 HD2 HIS 39 HD2 HIS 39 8.918 -2.430 -7.356
257 HE1 HIS 39 HE1 HIS 39 10.018 -5.877 -9.345
258 H GLY 40 H GLY 40 7.545 -4.184 -2.601
259 1HA GLY 40 2HA GLY 40 8.085 -5.343 -0.231
260 2HA GLY 40 1HA GLY 40 9.524 -4.374 -0.488
261 HA PRO 41 HA PRO 41 10.306 -2.677 0.296
262 1HB PRO 41 2HB PRO 41 10.490 -1.234 2.655
263 2HB PRO 41 1HB PRO 41 10.329 -0.468 1.078
264 1HG PRO 41 2HG PRO 41 8.084 -1.127 3.045
265 2HG PRO 41 1HG PRO 41 8.407 0.413 2.257
266 1HD PRO 41 2HD PRO 41 6.568 -1.306 1.207
267 2HD PRO 41 1HD PRO 41 7.627 -0.395 0.117
268 H THR 42 H THR 42 11.687 -3.258 2.364
269 HA THR 42 HA THR 42 10.819 -5.905 3.091
270 HB THR 42 HB THR 42 13.209 -5.708 4.245
271 HG1 THR 42 HG1 THR 42 13.888 -3.689 4.159
272 1HG2 THR 42 2HG2 THR 42 12.959 -4.958 1.254
273 2HG2 THR 42 1HG2 THR 42 14.338 -5.730 2.015
274 3HG2 THR 42 3HG2 THR 42 12.837 -6.613 1.823
275 H ILE 43 H ILE 43 10.318 -2.929 4.442
276 HA ILE 43 HA ILE 43 10.195 -4.006 7.235
277 HB ILE 43 HB ILE 43 11.304 -1.841 7.045
278 1HG1 ILE 43 2HG1 ILE 43 8.520 -1.337 8.192
279 2HG1 ILE 43 1HG1 ILE 43 9.774 -2.217 9.033
280 1HG2 ILE 43 1HG2 ILE 43 8.775 -0.812 5.671
281 2HG2 ILE 43 3HG2 ILE 43 10.149 0.178 6.112
282 3HG2 ILE 43 2HG2 ILE 43 10.338 -1.056 4.902
283 1HD1 ILE 43 2HD1 ILE 43 11.235 -0.186 8.941
284 2HD1 ILE 43 1HD1 ILE 43 9.959 0.704 8.130
285 3HD1 ILE 43 3HD1 ILE 43 9.726 0.138 9.769
286 H GLY 44 H GLY 44 8.206 -3.041 4.608
287 1HA GLY 44 2HA GLY 44 5.821 -4.228 5.752
288 2HA GLY 44 1HA GLY 44 5.715 -2.460 5.625
289 H TRP 45 H TRP 45 4.202 -4.359 4.011
290 HA TRP 45 HA TRP 45 5.496 -4.237 1.339
291 1HB TRP 45 2HB TRP 45 2.710 -5.131 1.926
292 2HB TRP 45 1HB TRP 45 3.683 -5.574 0.550
293 HD1 TRP 45 HD1 TRP 45 3.836 -6.250 4.492
294 HE1 TRP 45 HE1 TRP 45 4.566 -8.631 4.644
295 HE3 TRP 45 HE3 TRP 45 4.514 -7.321 -0.385
296 HZ2 TRP 45 HZ2 TRP 45 5.343 -10.842 2.982
297 HZ3 TRP 45 HZ3 TRP 45 5.262 -9.565 -1.104
298 HH2 TRP 45 HH2 TRP 45 5.685 -11.321 0.581
299 H CYS 46 H CYS 46 4.714 -2.805 -0.296
300 HA CYS 46 HA CYS 46 2.706 -0.801 0.680
301 1HB CYS 46 2HB CYS 46 5.099 -0.862 -1.054
302 2HB CYS 46 1HB CYS 46 3.872 0.213 -1.626
303 H CYS 47 H CYS 47 0.680 -1.113 0.021
304 HA CYS 47 HA CYS 47 0.064 -2.209 -2.682
305 1HB CYS 47 2HB CYS 47 -0.306 -3.885 -0.741
306 2HB CYS 47 1HB CYS 47 -1.574 -2.826 -0.169
307 H LYS 48 H LYS 48 -2.691 -2.001 -2.546
308 HA LYS 48 HA LYS 48 -3.462 0.704 -1.677
309 1HB LYS 48 2HB LYS 48 -4.170 1.494 -3.880
310 2HB LYS 48 1HB LYS 48 -2.533 0.960 -4.145
311 1HG LYS 48 2HG LYS 48 -3.262 -1.073 -5.228
312 2HG LYS 48 1HG LYS 48 -4.929 -0.899 -4.700
313 1HD LYS 48 2HD LYS 48 -4.880 1.342 -6.095
314 2HD LYS 48 1HD LYS 48 -3.459 0.631 -6.830
315 1HE LYS 48 2HE LYS 48 -5.383 0.039 -8.206
316 2HE LYS 48 1HE LYS 48 -4.836 -1.429 -7.423
317 1HZ LYS 48 3HZ LYS 48 -6.723 -0.181 -5.723
318 2HZ LYS 48 2HZ LYS 48 -7.407 -0.281 -7.261
319 3HZ LYS 48 1HZ LYS 48 -6.874 -1.660 -6.454
320 H GLN 49 H GLN 49 -5.845 0.812 -1.621
321 HA GLN 49 HA GLN 49 -6.973 -1.638 -1.067
322 1HB GLN 49 2HB GLN 49 -7.352 1.081 -0.439
323 2HB GLN 49 1HB GLN 49 -8.635 0.807 -1.626
324 1HG GLN 49 2HG GLN 49 -9.268 -1.104 -0.557
325 2HG GLN 49 1HG GLN 49 -8.003 -1.002 0.665
326 1HE2 GLN 49 2HE2 GLN 49 -11.024 0.254 2.344
327 2HE2 GLN 49 1HE2 GLN 49 -10.533 -1.220 1.657
No H/Q in entry = 327
Start of MODEL 20
Raw file had 333 H/Q atoms
Start of MODEL 20
1 1H GLY 1 3H GLY 1 -2.637 2.479 7.900
2 2H GLY 1 2H GLY 1 -2.677 0.829 7.479
3 3H GLY 1 1H GLY 1 -2.509 1.289 9.109
4 1HA GLY 1 2HA GLY 1 -0.291 1.416 8.913
5 2HA GLY 1 1HA GLY 1 -0.457 0.850 7.230
6 H VAL 2 H VAL 2 1.467 2.594 7.191
7 HA VAL 2 HA VAL 2 0.386 5.355 7.002
8 HB VAL 2 HB VAL 2 3.208 4.194 6.544
9 1HG1 VAL 2 3HG1 VAL 2 2.399 7.136 6.707
10 2HG1 VAL 2 2HG1 VAL 2 4.033 6.518 6.576
11 3HG1 VAL 2 1HG1 VAL 2 2.912 6.291 5.253
12 1HG2 VAL 2 1HG2 VAL 2 2.514 4.127 8.957
13 2HG2 VAL 2 3HG2 VAL 2 3.808 5.280 8.697
14 3HG2 VAL 2 2HG2 VAL 2 2.165 5.848 8.926
15 H SER 3 H SER 3 0.591 6.412 4.890
16 HA SER 3 HA SER 3 -0.317 4.670 2.811
17 1HB SER 3 2HB SER 3 0.674 7.484 2.538
18 2HB SER 3 1HB SER 3 -0.417 6.654 1.420
19 HG SER 3 HG SER 3 -1.993 6.619 2.888
20 H CYS 4 H CYS 4 0.820 4.673 0.629
21 HA CYS 4 HA CYS 4 3.719 5.001 0.586
22 1HB CYS 4 2HB CYS 4 3.443 2.792 1.750
23 2HB CYS 4 1HB CYS 4 2.562 2.192 0.366
24 H LEU 5 H LEU 5 4.088 5.748 -1.422
25 HA LEU 5 HA LEU 5 2.208 5.670 -3.507
26 1HB LEU 5 2HB LEU 5 5.106 6.455 -3.192
27 2HB LEU 5 1HB LEU 5 4.603 6.140 -4.826
28 HG LEU 5 HG LEU 5 3.156 8.108 -2.963
29 1HD1 LEU 5 2HD1 LEU 5 5.465 8.911 -3.620
30 2HD1 LEU 5 1HD1 LEU 5 5.050 8.649 -5.305
31 3HD1 LEU 5 3HD1 LEU 5 4.199 9.864 -4.369
32 1HD2 LEU 5 2HD2 LEU 5 2.950 7.481 -5.933
33 2HD2 LEU 5 1HD2 LEU 5 1.727 7.105 -4.770
34 3HD2 LEU 5 3HD2 LEU 5 2.061 8.761 -5.185
35 H CYS 6 H CYS 6 2.588 4.832 -5.622
36 HA CYS 6 HA CYS 6 3.210 1.927 -5.535
37 1HB CYS 6 2HB CYS 6 1.674 3.511 -7.584
38 2HB CYS 6 1HB CYS 6 1.695 1.768 -7.386
39 H ASP 7 H ASP 7 4.169 0.851 -7.365
40 HA ASP 7 HA ASP 7 6.533 2.247 -8.327
41 1HB ASP 7 2HB ASP 7 5.413 -0.533 -8.585
42 2HB ASP 7 1HB ASP 7 6.686 0.039 -9.653
43 H SER 8 H SER 8 4.165 3.202 -9.212
44 HA SER 8 HA SER 8 4.559 3.403 -12.179
45 1HB SER 8 2HB SER 8 2.335 2.142 -11.285
46 2HB SER 8 1HB SER 8 1.770 3.797 -11.008
47 HG SER 8 HG SER 8 2.041 2.473 -13.334
48 H ASP 9 H ASP 9 4.369 4.949 -9.151
49 HA ASP 9 HA ASP 9 3.795 7.599 -10.315
50 1HB ASP 9 2HB ASP 9 3.490 6.385 -7.660
51 2HB ASP 9 1HB ASP 9 4.176 7.989 -7.561
52 H GLY 10 H GLY 10 4.880 9.310 -8.967
53 1HA GLY 10 2HA GLY 10 7.786 9.140 -9.586
54 2HA GLY 10 1HA GLY 10 6.864 10.626 -9.388
55 HA PRO 11 HA PRO 11 9.239 9.769 -5.496
56 1HB PRO 11 2HB PRO 11 11.104 11.711 -5.594
57 2HB PRO 11 1HB PRO 11 11.279 10.259 -6.591
58 1HG PRO 11 2HG PRO 11 10.033 12.954 -7.409
59 2HG PRO 11 1HG PRO 11 11.332 12.088 -8.239
60 1HD PRO 11 2HD PRO 11 8.706 11.838 -8.995
61 2HD PRO 11 1HD PRO 11 9.816 10.456 -9.122
62 H SER 12 H SER 12 9.455 11.273 -3.505
63 HA SER 12 HA SER 12 7.088 13.001 -3.483
64 1HB SER 12 2HB SER 12 8.078 13.059 -0.960
65 2HB SER 12 1HB SER 12 6.969 11.817 -1.586
66 HG SER 12 HG SER 12 8.584 10.464 -1.263
67 H VAL 13 H VAL 13 7.648 14.658 -4.521
68 HA VAL 13 HA VAL 13 9.619 16.562 -3.288
69 HB VAL 13 HB VAL 13 9.084 16.347 -6.305
70 1HG1 VAL 13 3HG1 VAL 13 10.079 18.516 -5.549
71 2HG1 VAL 13 2HG1 VAL 13 11.399 17.653 -4.777
72 3HG1 VAL 13 1HG1 VAL 13 11.228 17.619 -6.522
73 1HG2 VAL 13 3HG2 VAL 13 11.396 15.074 -4.738
74 2HG2 VAL 13 2HG2 VAL 13 10.107 14.196 -5.539
75 3HG2 VAL 13 1HG2 VAL 13 11.279 15.090 -6.492
76 H ARG 14 H ARG 14 6.800 15.974 -3.204
77 HA ARG 14 HA ARG 14 4.842 17.060 -2.684
78 1HB ARG 14 2HB ARG 14 6.419 19.106 -2.100
79 2HB ARG 14 1HB ARG 14 6.107 19.650 -3.731
80 1HG ARG 14 2HG ARG 14 3.838 20.110 -3.373
81 2HG ARG 14 1HG ARG 14 3.705 19.016 -2.006
82 1HD ARG 14 2HD ARG 14 5.371 21.578 -1.929
83 2HD ARG 14 1HD ARG 14 3.701 21.483 -1.372
84 HE ARG 14 HE ARG 14 5.039 19.337 -0.120
85 1HH1 ARG 14 2HH1 ARG 14 7.393 20.632 0.256
86 2HH1 ARG 14 1HH1 ARG 14 7.219 21.733 1.571
87 1HH2 ARG 14 1HH2 ARG 14 3.664 21.554 1.214
88 2HH2 ARG 14 2HH2 ARG 14 4.882 22.305 2.174
89 H GLY 15 H GLY 15 3.025 18.102 -3.875
90 1HA GLY 15 2HA GLY 15 1.858 18.562 -5.938
91 2HA GLY 15 1HA GLY 15 3.339 18.142 -6.839
92 H ASN 16 H ASN 16 4.059 15.865 -5.711
93 HA ASN 16 HA ASN 16 2.496 13.838 -6.950
94 1HB ASN 16 2HB ASN 16 4.074 12.269 -5.780
95 2HB ASN 16 1HB ASN 16 4.995 13.639 -6.346
96 1HD2 ASN 16 2HD2 ASN 16 4.550 13.141 -2.389
97 2HD2 ASN 16 1HD2 ASN 16 3.649 12.153 -3.439
98 H THR 17 H THR 17 1.556 11.921 -5.644
99 HA THR 17 HA THR 17 0.380 12.863 -3.102
100 HB THR 17 HB THR 17 -1.285 13.291 -5.012
101 HG1 THR 17 HG1 THR 17 -2.619 12.811 -3.466
102 1HG2 THR 17 2HG2 THR 17 -0.664 11.211 -6.415
103 2HG2 THR 17 1HG2 THR 17 -1.364 10.212 -5.151
104 3HG2 THR 17 3HG2 THR 17 -2.375 11.321 -6.050
105 H LEU 18 H LEU 18 -1.184 10.755 -2.607
106 HA LEU 18 HA LEU 18 0.611 8.465 -2.219
107 1HB LEU 18 2HB LEU 18 -1.675 9.706 -0.657
108 2HB LEU 18 1HB LEU 18 -1.100 8.101 -0.310
109 HG LEU 18 HG LEU 18 1.057 8.878 0.112
110 1HD1 LEU 18 2HD1 LEU 18 0.270 11.688 -0.560
111 2HD1 LEU 18 1HD1 LEU 18 1.718 11.277 0.350
112 3HD1 LEU 18 3HD1 LEU 18 1.538 10.681 -1.264
113 1HD2 LEU 18 2HD2 LEU 18 -0.647 9.069 2.051
114 2HD2 LEU 18 1HD2 LEU 18 0.583 10.306 2.232
115 3HD2 LEU 18 3HD2 LEU 18 -0.982 10.705 1.551
116 H SER 19 H SER 19 0.054 7.127 -3.979
117 HA SER 19 HA SER 19 -2.826 6.696 -4.546
118 1HB SER 19 2HB SER 19 -1.660 5.198 -6.458
119 2HB SER 19 1HB SER 19 -1.672 6.955 -6.629
120 HG SER 19 HG SER 19 0.426 6.640 -6.695
121 H GLY 20 H GLY 20 -0.506 5.316 -2.578
122 1HA GLY 20 2HA GLY 20 -2.043 2.903 -2.338
123 2HA GLY 20 1HA GLY 20 -0.310 2.722 -2.581
124 H THR 21 H THR 21 -0.724 1.549 -0.381
125 HA THR 21 HA THR 21 0.052 3.209 1.759
126 HB THR 21 HB THR 21 -2.409 1.400 1.853
127 HG1 THR 21 HG1 THR 21 -2.195 3.930 1.090
128 1HG2 THR 21 2HG2 THR 21 -1.262 1.553 4.133
129 2HG2 THR 21 1HG2 THR 21 -1.458 3.300 4.057
130 3HG2 THR 21 3HG2 THR 21 -2.866 2.265 4.094
131 H LEU 22 H LEU 22 0.819 2.021 3.312
132 HA LEU 22 HA LEU 22 1.914 -0.608 2.449
133 1HB LEU 22 2HB LEU 22 3.710 0.777 2.757
134 2HB LEU 22 1HB LEU 22 3.055 1.646 4.132
135 HG LEU 22 HG LEU 22 3.742 -1.324 4.432
136 1HD1 LEU 22 2HD1 LEU 22 5.829 0.908 4.503
137 2HD1 LEU 22 1HD1 LEU 22 6.099 -0.778 4.913
138 3HD1 LEU 22 3HD1 LEU 22 5.717 -0.332 3.266
139 1HD2 LEU 22 1HD2 LEU 22 4.058 1.146 6.201
140 2HD2 LEU 22 3HD2 LEU 22 2.730 0.004 6.314
141 3HD2 LEU 22 2HD2 LEU 22 4.372 -0.506 6.682
142 H TRP 23 H TRP 23 1.799 -2.284 3.618
143 HA TRP 23 HA TRP 23 0.012 -2.288 5.978
144 1HB TRP 23 2HB TRP 23 0.313 -4.161 3.600
145 2HB TRP 23 1HB TRP 23 -0.414 -4.768 5.093
146 HD1 TRP 23 HD1 TRP 23 -1.230 -2.356 2.140
147 HE1 TRP 23 HE1 TRP 23 -3.488 -1.383 2.665
148 HE3 TRP 23 HE3 TRP 23 -1.858 -4.146 6.809
149 HZ2 TRP 23 HZ2 TRP 23 -5.408 -1.295 4.832
150 HZ3 TRP 23 HZ3 TRP 23 -3.882 -3.599 8.107
151 HH2 TRP 23 HH2 TRP 23 -5.655 -2.182 7.118
152 H LEU 24 H LEU 24 0.587 -3.057 7.685
153 HA LEU 24 HA LEU 24 3.319 -3.974 8.180
154 1HB LEU 24 2HB LEU 24 1.190 -3.647 10.337
155 2HB LEU 24 1HB LEU 24 2.910 -3.359 10.456
156 HG LEU 24 HG LEU 24 0.995 -1.661 8.811
157 1HD1 LEU 24 2HD1 LEU 24 2.301 -1.070 11.498
158 2HD1 LEU 24 1HD1 LEU 24 1.349 0.078 10.584
159 3HD1 LEU 24 3HD1 LEU 24 0.591 -1.359 11.245
160 1HD2 LEU 24 1HD2 LEU 24 3.344 -1.681 7.982
161 2HD2 LEU 24 3HD2 LEU 24 2.961 -0.102 8.649
162 3HD2 LEU 24 2HD2 LEU 24 3.932 -1.237 9.567
163 H TYR 25 H TYR 25 0.317 -5.109 7.764
164 HA TYR 25 HA TYR 25 0.249 -7.486 9.368
165 1HB TYR 25 2HB TYR 25 -1.016 -6.870 6.651
166 2HB TYR 25 1HB TYR 25 -1.318 -8.346 7.436
167 HD1 TYR 25 HD1 TYR 25 -1.176 -6.150 10.213
168 HD2 TYR 25 HD2 TYR 25 -3.634 -7.219 6.898
169 HE1 TYR 25 HE1 TYR 25 -3.155 -5.352 11.410
170 HE2 TYR 25 HE2 TYR 25 -5.606 -6.412 8.104
171 HH TYR 25 HH TYR 25 -6.254 -6.105 10.578
172 HA PRO 26 HA PRO 26 3.553 -9.530 7.838
173 1HB PRO 26 2HB PRO 26 3.089 -12.180 8.391
174 2HB PRO 26 1HB PRO 26 3.237 -10.981 9.679
175 1HG PRO 26 2HG PRO 26 0.656 -11.996 8.350
176 2HG PRO 26 1HG PRO 26 1.023 -11.922 10.076
177 1HD PRO 26 2HD PRO 26 -0.388 -9.912 8.885
178 2HD PRO 26 1HD PRO 26 0.814 -9.527 10.138
179 H SER 27 H SER 27 0.778 -9.974 6.232
180 HA SER 27 HA SER 27 2.148 -11.353 3.936
181 1HB SER 27 2HB SER 27 -0.184 -12.011 3.247
182 2HB SER 27 1HB SER 27 0.303 -12.736 4.792
183 HG SER 27 HG SER 27 -1.577 -10.779 4.295
184 H GLY 28 H GLY 28 1.593 -8.484 4.959
185 1HA GLY 28 2HA GLY 28 1.486 -6.430 3.926
186 2HA GLY 28 1HA GLY 28 1.588 -7.300 2.415
187 H CYS 29 H CYS 29 0.192 -6.960 1.173
188 HA CYS 29 HA CYS 29 -1.955 -5.381 1.396
189 1HB CYS 29 2HB CYS 29 -0.790 -6.336 -0.719
190 2HB CYS 29 1HB CYS 29 -2.024 -7.578 -0.622
191 HA PRO 30 HA PRO 30 -4.664 -8.281 3.497
192 1HB PRO 30 2HB PRO 30 -6.429 -6.501 4.539
193 2HB PRO 30 1HB PRO 30 -4.780 -6.664 5.155
194 1HG PRO 30 2HG PRO 30 -5.857 -4.500 3.319
195 2HG PRO 30 1HG PRO 30 -4.683 -4.415 4.612
196 1HD PRO 30 2HD PRO 30 -4.101 -4.685 1.839
197 2HD PRO 30 1HD PRO 30 -2.946 -4.941 3.182
198 H SER 31 H SER 31 -6.302 -9.296 2.960
199 HA SER 31 HA SER 31 -7.388 -9.344 0.466
200 1HB SER 31 2HB SER 31 -8.952 -10.299 2.957
201 2HB SER 31 1HB SER 31 -8.761 -11.185 1.431
202 HG SER 31 HG SER 31 -6.924 -11.945 2.199
203 H GLY 32 H GLY 32 -8.127 -7.812 -0.410
204 1HA GLY 32 2HA GLY 32 -10.505 -6.874 -0.910
205 2HA GLY 32 1HA GLY 32 -10.251 -6.071 0.656
206 H TRP 33 H TRP 33 -7.192 -6.481 -0.523
207 HA TRP 33 HA TRP 33 -7.165 -3.823 -1.814
208 1HB TRP 33 2HB TRP 33 -5.221 -5.389 -0.014
209 2HB TRP 33 1HB TRP 33 -4.679 -3.995 -0.904
210 HD1 TRP 33 HD1 TRP 33 -7.708 -4.643 1.533
211 HE1 TRP 33 HE1 TRP 33 -7.835 -2.491 2.846
212 HE3 TRP 33 HE3 TRP 33 -3.955 -2.153 -0.546
213 HZ2 TRP 33 HZ2 TRP 33 -6.483 0.118 3.038
214 HZ3 TRP 33 HZ3 TRP 33 -3.349 0.124 0.121
215 HH2 TRP 33 HH2 TRP 33 -4.579 1.275 1.892
216 H HIS 34 H HIS 34 -4.466 -4.391 -2.716
217 HA HIS 34 HA HIS 34 -4.640 -6.593 -4.551
218 1HB HIS 34 2HB HIS 34 -5.954 -4.820 -5.692
219 2HB HIS 34 1HB HIS 34 -4.641 -3.678 -5.516
220 HD1 HIS 34 HD1 HIS 34 -5.133 -3.758 -8.257
221 HD2 HIS 34 HD2 HIS 34 -3.125 -6.975 -6.748
222 HE1 HIS 34 HE1 HIS 34 -4.052 -4.868 -10.173
223 H ASN 35 H ASN 35 -2.757 -4.011 -5.485
224 HA ASN 35 HA ASN 35 -0.380 -4.478 -3.925
225 1HB ASN 35 2HB ASN 35 1.064 -5.394 -5.803
226 2HB ASN 35 1HB ASN 35 -0.150 -6.529 -5.260
227 1HD2 ASN 35 2HD2 ASN 35 -1.108 -4.959 -8.842
228 2HD2 ASN 35 1HD2 ASN 35 -0.800 -3.825 -7.614
229 H CYS 36 H CYS 36 1.341 -2.997 -4.655
230 HA CYS 36 HA CYS 36 0.612 -1.145 -6.854
231 1HB CYS 36 2HB CYS 36 -0.145 -0.511 -4.209
232 2HB CYS 36 1HB CYS 36 1.266 0.481 -4.492
233 H LYS 37 H LYS 37 2.804 -2.005 -4.226
234 HA LYS 37 HA LYS 37 5.004 -0.875 -5.775
235 1HB LYS 37 2HB LYS 37 4.504 -1.654 -2.937
236 2HB LYS 37 1HB LYS 37 6.153 -1.635 -3.392
237 1HG LYS 37 2HG LYS 37 4.172 0.730 -3.596
238 2HG LYS 37 1HG LYS 37 5.473 0.627 -2.435
239 1HD LYS 37 2HD LYS 37 5.848 0.934 -5.414
240 2HD LYS 37 1HD LYS 37 6.113 2.136 -4.179
241 1HE LYS 37 2HE LYS 37 7.947 0.868 -3.189
242 2HE LYS 37 1HE LYS 37 7.607 -0.536 -4.191
243 1HZ LYS 37 3HZ LYS 37 7.959 1.634 -5.915
244 2HZ LYS 37 2HZ LYS 37 9.310 1.559 -4.875
245 3HZ LYS 37 1HZ LYS 37 8.741 0.258 -5.845
246 H ALA 38 H ALA 38 5.838 -2.257 -7.098
247 HA ALA 38 HA ALA 38 5.357 -5.139 -6.978
248 1HB ALA 38 2HB ALA 38 5.487 -3.915 -9.171
249 2HB ALA 38 1HB ALA 38 7.159 -3.503 -8.814
250 3HB ALA 38 3HB ALA 38 6.713 -5.177 -9.087
251 H HIS 39 H HIS 39 7.270 -3.476 -5.091
252 HA HIS 39 HA HIS 39 9.360 -5.611 -5.052
253 1HB HIS 39 2HB HIS 39 9.909 -2.614 -4.705
254 2HB HIS 39 1HB HIS 39 11.124 -3.886 -4.833
255 HD1 HIS 39 HD1 HIS 39 9.841 -5.328 -7.296
256 HD2 HIS 39 HD2 HIS 39 10.407 -1.286 -7.121
257 HE1 HIS 39 HE1 HIS 39 9.955 -4.527 -9.629
258 H GLY 40 H GLY 40 10.426 -3.528 -2.874
259 1HA GLY 40 2HA GLY 40 9.259 -5.027 -0.623
260 2HA GLY 40 1HA GLY 40 10.624 -3.932 -0.556
261 HA PRO 41 HA PRO 41 11.076 -2.465 0.832
262 1HB PRO 41 2HB PRO 41 10.735 -1.600 3.383
263 2HB PRO 41 1HB PRO 41 10.554 -0.494 2.018
264 1HG PRO 41 2HG PRO 41 8.321 -2.053 3.437
265 2HG PRO 41 1HG PRO 41 8.416 -0.311 3.183
266 1HD PRO 41 2HD PRO 41 7.046 -1.917 1.416
267 2HD PRO 41 1HD PRO 41 7.967 -0.534 0.800
268 H THR 42 H THR 42 12.020 -3.552 3.062
269 HA THR 42 HA THR 42 10.857 -6.289 3.013
270 HB THR 42 HB THR 42 13.356 -6.159 2.771
271 HG1 THR 42 HG1 THR 42 12.063 -7.337 4.928
272 1HG2 THR 42 2HG2 THR 42 13.757 -4.034 4.188
273 2HG2 THR 42 1HG2 THR 42 13.372 -5.001 5.609
274 3HG2 THR 42 3HG2 THR 42 14.764 -5.398 4.630
275 H ILE 43 H ILE 43 10.528 -3.503 4.712
276 HA ILE 43 HA ILE 43 9.580 -4.862 7.194
277 HB ILE 43 HB ILE 43 10.461 -1.950 6.821
278 1HG1 ILE 43 2HG1 ILE 43 12.402 -3.364 6.536
279 2HG1 ILE 43 1HG1 ILE 43 12.513 -2.530 8.071
280 1HG2 ILE 43 3HG2 ILE 43 9.857 -3.504 9.375
281 2HG2 ILE 43 2HG2 ILE 43 10.469 -1.860 9.308
282 3HG2 ILE 43 1HG2 ILE 43 8.878 -2.229 8.672
283 1HD1 ILE 43 3HD1 ILE 43 11.742 -4.604 9.251
284 2HD1 ILE 43 2HD1 ILE 43 11.657 -5.446 7.713
285 3HD1 ILE 43 1HD1 ILE 43 13.200 -4.896 8.329
286 H GLY 44 H GLY 44 7.619 -5.223 6.467
287 1HA GLY 44 2HA GLY 44 5.292 -4.663 6.236
288 2HA GLY 44 1HA GLY 44 5.725 -2.960 6.108
289 H TRP 45 H TRP 45 3.932 -4.302 4.321
290 HA TRP 45 HA TRP 45 5.516 -4.469 1.771
291 1HB TRP 45 2HB TRP 45 2.623 -5.320 2.095
292 2HB TRP 45 1HB TRP 45 3.730 -5.766 0.828
293 HD1 TRP 45 HD1 TRP 45 4.222 -6.326 4.760
294 HE1 TRP 45 HE1 TRP 45 4.495 -8.801 4.981
295 HE3 TRP 45 HE3 TRP 45 3.607 -7.776 -0.034
296 HZ2 TRP 45 HZ2 TRP 45 4.461 -11.191 3.439
297 HZ3 TRP 45 HZ3 TRP 45 3.725 -10.164 -0.655
298 HH2 TRP 45 HH2 TRP 45 4.154 -11.871 1.084
299 H CYS 46 H CYS 46 4.515 -3.338 -0.119
300 HA CYS 46 HA CYS 46 2.807 -1.047 0.758
301 1HB CYS 46 2HB CYS 46 5.176 -1.287 -1.012
302 2HB CYS 46 1HB CYS 46 3.977 -0.058 -1.348
303 H CYS 47 H CYS 47 0.879 -1.147 0.002
304 HA CYS 47 HA CYS 47 0.334 -2.243 -2.699
305 1HB CYS 47 2HB CYS 47 -0.094 -3.884 -0.766
306 2HB CYS 47 1HB CYS 47 -1.388 -2.828 -0.267
307 H LYS 48 H LYS 48 -2.396 -2.022 -2.663
308 HA LYS 48 HA LYS 48 -3.204 0.709 -1.943
309 1HB LYS 48 2HB LYS 48 -3.780 1.351 -4.284
310 2HB LYS 48 1HB LYS 48 -2.104 0.964 -4.196
311 1HG LYS 48 2HG LYS 48 -2.387 -0.498 -5.940
312 2HG LYS 48 1HG LYS 48 -3.293 -1.549 -4.889
313 1HD LYS 48 2HD LYS 48 -4.476 0.682 -6.643
314 2HD LYS 48 1HD LYS 48 -4.600 -1.046 -6.949
315 1HE LYS 48 2HE LYS 48 -5.733 -1.361 -4.794
316 2HE LYS 48 1HE LYS 48 -5.666 0.367 -4.485
317 1HZ LYS 48 1HZ LYS 48 -7.073 -0.074 -6.924
318 2HZ LYS 48 3HZ LYS 48 -7.670 -1.011 -5.582
319 3HZ LYS 48 2HZ LYS 48 -7.524 0.609 -5.395
320 H GLN 49 H GLN 49 -5.588 0.788 -1.906
321 HA GLN 49 HA GLN 49 -6.735 -1.765 -1.662
322 1HB GLN 49 2HB GLN 49 -6.749 0.291 -0.033
323 2HB GLN 49 1HB GLN 49 -7.860 1.022 -1.190
324 1HG GLN 49 2HG GLN 49 -9.159 -0.834 -1.191
325 2HG GLN 49 1HG GLN 49 -8.055 -1.672 -0.060
326 1HE2 GLN 49 2HE2 GLN 49 -10.322 -0.604 2.475
327 2HE2 GLN 49 1HE2 GLN 49 -9.754 -1.942 1.576
No H/Q in entry = 327