Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
|
1307 | 1agt RC | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Orig H atom name
Start of MODEL 1
Raw file had 289 H/Q atoms
Start of MODEL 1
1 1H GLY 1 1H GLY 1 5.876 -2.426 3.538
2 2H GLY 1 2H GLY 1 4.306 -2.628 3.064
3 3H GLY 1 3H GLY 1 4.825 -3.271 4.494
4 1HA GLY 1 2HA GLY 1 6.295 -4.827 3.372
5 2HA GLY 1 1HA GLY 1 4.625 -5.057 2.876
6 H VAL 2 H VAL 2 3.970 -4.195 0.821
7 HA VAL 2 HA VAL 2 6.239 -3.642 -1.193
8 HB VAL 2 HB VAL 2 3.613 -5.144 -1.704
9 1HG1 VAL 2 1HG2 VAL 2 5.864 -4.394 -3.699
10 2HG1 VAL 2 2HG2 VAL 2 4.498 -5.482 -4.049
11 3HG1 VAL 2 3HG2 VAL 2 4.197 -3.771 -3.718
12 1HG2 VAL 2 2HG1 VAL 2 5.356 -6.580 -0.588
13 2HG2 VAL 2 3HG1 VAL 2 5.089 -7.093 -2.260
14 3HG2 VAL 2 1HG1 VAL 2 6.542 -6.150 -1.838
15 HA PRO 3 HA PRO 3 3.649 0.259 -1.022
16 1HB PRO 3 1HB PRO 3 5.995 1.421 -2.572
17 2HB PRO 3 2HB PRO 3 5.176 2.038 -1.129
18 1HG PRO 3 2HG PRO 3 7.642 0.849 -0.965
19 2HG PRO 3 1HG PRO 3 6.437 0.590 0.312
20 1HD PRO 3 1HD PRO 3 7.155 -1.300 -1.987
21 2HD PRO 3 2HD PRO 3 6.867 -1.659 -0.259
22 H ILE 4 H ILE 4 2.021 0.389 -2.430
23 HA ILE 4 HA ILE 4 2.516 0.207 -5.454
24 HB ILE 4 HB ILE 4 0.210 -0.364 -5.838
25 1HG1 ILE 4 2HG1 ILE 4 -0.264 -0.674 -2.812
26 2HG1 ILE 4 1HG1 ILE 4 -0.852 0.653 -3.800
27 1HG2 ILE 4 2HG2 ILE 4 1.944 -2.164 -5.613
28 2HG2 ILE 4 3HG2 ILE 4 1.491 -2.396 -3.907
29 3HG2 ILE 4 1HG2 ILE 4 0.323 -2.744 -5.203
30 1HD1 ILE 4 2HD1 ILE 4 -2.240 -0.893 -5.199
31 2HD1 ILE 4 3HD1 ILE 4 -1.735 -2.264 -4.174
32 3HD1 ILE 4 1HD1 ILE 4 -2.674 -0.927 -3.475
33 H ASN 5 H ASN 5 1.843 1.821 -6.727
34 HA ASN 5 HA ASN 5 1.515 4.508 -5.439
35 1HB ASN 5 1HB ASN 5 1.859 5.501 -7.611
36 2HB ASN 5 2HB ASN 5 3.125 4.383 -7.167
37 1HD2 ASN 5 1HD2 ASN 5 2.609 2.327 -10.093
38 2HD2 ASN 5 2HD2 ASN 5 3.404 2.436 -8.437
39 H VAL 6 H VAL 6 -0.450 4.472 -4.525
40 HA VAL 6 HA VAL 6 -2.891 4.872 -6.306
41 HB VAL 6 HB VAL 6 -2.791 2.861 -3.966
42 1HG1 VAL 6 3HG2 VAL 6 -4.957 4.125 -3.845
43 2HG1 VAL 6 1HG2 VAL 6 -5.286 3.760 -5.558
44 3HG1 VAL 6 2HG2 VAL 6 -5.224 2.453 -4.345
45 1HG2 VAL 6 1HG1 VAL 6 -3.454 2.402 -6.949
46 2HG2 VAL 6 2HG1 VAL 6 -2.012 1.815 -6.085
47 3HG2 VAL 6 3HG1 VAL 6 -3.603 1.182 -5.658
48 H SER 7 H SER 7 -3.579 6.796 -5.759
49 HA SER 7 HA SER 7 -2.570 8.225 -3.386
50 1HB SER 7 1HB SER 7 -3.728 10.222 -4.250
51 2HB SER 7 2HB SER 7 -2.734 9.425 -5.468
52 HG SER 7 HG SER 7 -5.545 9.149 -5.163
53 H CYS 8 H CYS 8 -3.382 8.071 -1.461
54 HA CYS 8 HA CYS 8 -6.230 7.175 -0.962
55 1HB CYS 8 1HB CYS 8 -3.921 7.609 1.055
56 2HB CYS 8 2HB CYS 8 -5.467 6.844 1.404
57 H THR 9 H THR 9 -7.561 7.987 0.499
58 HA THR 9 HA THR 9 -7.237 10.838 1.564
59 HB THR 9 HB THR 9 -9.169 10.715 0.072
60 HG1 THR 9 HG1 THR 9 -10.580 11.611 1.566
61 1HG2 THR 9 3HG2 THR 9 -10.499 8.747 2.048
62 2HG2 THR 9 1HG2 THR 9 -11.299 9.603 0.709
63 3HG2 THR 9 2HG2 THR 9 -10.050 8.394 0.359
64 H GLY 10 H GLY 10 -8.052 7.465 2.372
65 1HA GLY 10 1HA GLY 10 -6.888 7.840 5.109
66 2HA GLY 10 2HA GLY 10 -8.578 7.306 5.129
67 H SER 11 H SER 11 -7.484 5.491 6.234
68 HA SER 11 HA SER 11 -5.788 3.554 4.792
69 1HB SER 11 1HB SER 11 -7.364 3.184 7.404
70 2HB SER 11 2HB SER 11 -6.260 1.992 6.715
71 HG SER 11 HG SER 11 -5.253 3.349 8.196
72 HA PRO 12 HA PRO 12 -9.847 0.780 4.059
73 1HB PRO 12 1HB PRO 12 -11.758 3.110 3.478
74 2HB PRO 12 2HB PRO 12 -12.135 1.473 4.059
75 1HG PRO 12 2HG PRO 12 -12.053 3.511 5.839
76 2HG PRO 12 1HG PRO 12 -11.278 1.969 6.276
77 1HD PRO 12 1HD PRO 12 -9.932 4.523 5.236
78 2HD PRO 12 2HD PRO 12 -9.431 3.450 6.575
79 H GLN 13 H GLN 13 -8.967 3.654 2.225
80 HA GLN 13 HA GLN 13 -9.948 2.944 -0.414
81 1HB GLN 13 1HB GLN 13 -7.394 4.518 0.335
82 2HB GLN 13 2HB GLN 13 -8.062 4.428 -1.285
83 1HG GLN 13 1HG GLN 13 -9.486 5.694 1.128
84 2HG GLN 13 2HG GLN 13 -8.594 6.547 -0.106
85 1HE2 GLN 13 1HE2 GLN 13 -11.325 6.371 -2.482
86 2HE2 GLN 13 2HE2 GLN 13 -9.526 6.697 -2.267
87 H CYS 14 H CYS 14 -6.843 1.988 1.098
88 HA CYS 14 HA CYS 14 -5.789 0.673 -1.341
89 1HB CYS 14 1HB CYS 14 -4.875 0.478 1.599
90 2HB CYS 14 2HB CYS 14 -3.921 0.000 0.177
91 H ILE 15 H ILE 15 -8.036 -0.616 1.004
92 HA ILE 15 HA ILE 15 -7.174 -3.337 1.223
93 HB ILE 15 HB ILE 15 -10.049 -2.255 1.218
94 1HG1 ILE 15 1HG1 ILE 15 -8.695 -1.058 2.904
95 2HG1 ILE 15 2HG1 ILE 15 -9.984 -1.986 3.594
96 1HG2 ILE 15 3HG2 ILE 15 -9.071 -4.927 2.395
97 2HG2 ILE 15 1HG2 ILE 15 -10.685 -4.214 2.656
98 3HG2 ILE 15 2HG2 ILE 15 -10.189 -4.704 1.031
99 1HD1 ILE 15 3HD1 ILE 15 -7.016 -2.860 3.601
100 2HD1 ILE 15 1HD1 ILE 15 -7.880 -2.108 4.961
101 3HD1 ILE 15 2HD1 ILE 15 -8.344 -3.732 4.406
102 H LYS 16 H LYS 16 -9.581 -2.140 -1.244
103 HA LYS 16 HA LYS 16 -9.606 -4.709 -2.684
104 1HB LYS 16 2HB LYS 16 -10.818 -1.946 -3.202
105 2HB LYS 16 1HB LYS 16 -10.673 -3.061 -4.525
106 1HG LYS 16 1HG LYS 16 -12.856 -3.327 -3.656
107 2HG LYS 16 2HG LYS 16 -11.980 -4.809 -3.310
108 1HD LYS 16 1HD LYS 16 -11.661 -4.081 -0.921
109 2HD LYS 16 2HD LYS 16 -12.466 -2.552 -1.238
110 1HE LYS 16 1HE LYS 16 -13.795 -5.343 -1.515
111 2HE LYS 16 2HE LYS 16 -13.874 -4.338 -0.072
112 1HZ LYS 16 1HZ LYS 16 -15.012 -2.618 -1.367
113 2HZ LYS 16 2HZ LYS 16 -14.947 -3.546 -2.732
114 3HZ LYS 16 3HZ LYS 16 -15.837 -4.048 -1.433
115 HA PRO 17 HA PRO 17 -6.473 -2.615 -5.956
116 1HB PRO 17 1HB PRO 17 -5.093 -0.775 -3.921
117 2HB PRO 17 2HB PRO 17 -5.184 -0.615 -5.690
118 1HG PRO 17 2HG PRO 17 -6.869 0.841 -4.135
119 2HG PRO 17 1HG PRO 17 -7.512 0.056 -5.595
120 1HD PRO 17 2HD PRO 17 -7.765 -0.863 -2.690
121 2HD PRO 17 1HD PRO 17 -8.991 -0.870 -3.989
122 H CYS 18 H CYS 18 -5.365 -2.982 -2.554
123 HA CYS 18 HA CYS 18 -2.922 -4.529 -3.103
124 1HB CYS 18 1HB CYS 18 -4.733 -4.386 -0.606
125 2HB CYS 18 2HB CYS 18 -3.222 -5.293 -0.666
126 H LYS 19 H LYS 19 -6.216 -5.680 -2.173
127 HA LYS 19 HA LYS 19 -5.737 -8.523 -2.436
128 1HB LYS 19 2HB LYS 19 -7.656 -7.375 -1.258
129 2HB LYS 19 1HB LYS 19 -8.341 -6.917 -2.809
130 1HG LYS 19 2HG LYS 19 -8.686 -9.371 -3.366
131 2HG LYS 19 1HG LYS 19 -7.909 -9.818 -1.854
132 1HD LYS 19 1HD LYS 19 -10.279 -10.004 -1.522
133 2HD LYS 19 2HD LYS 19 -9.721 -8.653 -0.544
134 1HE LYS 19 1HE LYS 19 -10.592 -7.022 -2.305
135 2HE LYS 19 2HE LYS 19 -11.111 -8.386 -3.307
136 1HZ LYS 19 3HZ LYS 19 -12.610 -9.057 -1.498
137 2HZ LYS 19 1HZ LYS 19 -12.116 -7.785 -0.566
138 3HZ LYS 19 2HZ LYS 19 -12.927 -7.509 -1.978
139 H ASP 20 H ASP 20 -7.106 -6.323 -4.919
140 HA ASP 20 HA ASP 20 -7.310 -8.312 -7.060
141 1HB ASP 20 1HB ASP 20 -7.036 -5.238 -7.244
142 2HB ASP 20 2HB ASP 20 -7.360 -6.270 -8.623
143 H ALA 21 H ALA 21 -4.532 -6.224 -6.181
144 HA ALA 21 HA ALA 21 -2.826 -7.010 -8.477
145 1HB ALA 21 2HB ALA 21 -2.354 -4.950 -7.163
146 2HB ALA 21 3HB ALA 21 -2.040 -5.908 -5.696
147 3HB ALA 21 1HB ALA 21 -0.957 -6.045 -7.100
148 H GLY 22 H GLY 22 -2.928 -8.178 -5.085
149 1HA GLY 22 1HA GLY 22 -2.869 -10.861 -5.173
150 2HA GLY 22 2HA GLY 22 -1.241 -10.638 -5.806
151 H MET 23 H MET 23 -3.068 -9.083 -3.151
152 HA MET 23 HA MET 23 -0.985 -9.994 -1.101
153 1HB MET 23 1HB MET 23 -1.936 -7.072 -1.500
154 2HB MET 23 2HB MET 23 -0.990 -7.649 -0.154
155 1HG MET 23 2HG MET 23 0.772 -6.895 -1.350
156 2HG MET 23 1HG MET 23 0.726 -8.481 -2.117
157 1HE MET 23 3HE MET 23 2.238 -6.822 -3.776
158 2HE MET 23 2HE MET 23 1.494 -5.608 -4.864
159 3HE MET 23 1HE MET 23 1.660 -5.264 -3.118
160 H ARG 24 H ARG 24 -1.661 -9.341 1.110
161 HA ARG 24 HA ARG 24 -4.411 -10.514 1.634
162 1HB ARG 24 1HB ARG 24 -2.106 -9.886 3.572
163 2HB ARG 24 2HB ARG 24 -3.666 -10.521 4.067
164 1HG ARG 24 1HG ARG 24 -3.354 -12.581 2.734
165 2HG ARG 24 2HG ARG 24 -1.826 -12.002 2.098
166 1HD ARG 24 2HD ARG 24 -2.388 -12.517 5.096
167 2HD ARG 24 1HD ARG 24 -1.636 -13.679 3.997
168 HE ARG 24 HE ARG 24 -0.045 -11.260 3.830
169 1HH1 ARG 24 2HH2 ARG 24 -0.800 -13.754 6.247
170 2HH1 ARG 24 1HH2 ARG 24 0.821 -13.478 7.060
171 1HH2 ARG 24 1HH1 ARG 24 1.774 -11.028 4.835
172 2HH2 ARG 24 2HH1 ARG 24 2.178 -12.039 6.312
173 H PHE 25 H PHE 25 -2.609 -7.700 3.010
174 HA PHE 25 HA PHE 25 -5.309 -6.319 3.515
175 1HB PHE 25 1HB PHE 25 -2.732 -6.044 5.197
176 2HB PHE 25 2HB PHE 25 -4.271 -5.301 5.522
177 HD1 PHE 25 HD2 PHE 25 -6.327 -6.789 6.089
178 HD2 PHE 25 HD1 PHE 25 -2.308 -8.325 6.008
179 HE1 PHE 25 HE2 PHE 25 -7.032 -8.740 7.416
180 HE2 PHE 25 HE1 PHE 25 -3.030 -10.265 7.329
181 HZ PHE 25 HZ PHE 25 -5.389 -10.480 8.036
182 H GLY 26 H GLY 26 -5.146 -4.013 3.793
183 1HA GLY 26 2HA GLY 26 -3.103 -2.573 1.987
184 2HA GLY 26 1HA GLY 26 -4.820 -2.339 1.721
185 H LYS 27 H LYS 27 -2.141 -1.672 3.780
186 HA LYS 27 HA LYS 27 -3.795 0.148 5.622
187 1HB LYS 27 1HB LYS 27 -2.372 -1.610 6.738
188 2HB LYS 27 2HB LYS 27 -0.927 -0.926 6.002
189 1HG LYS 27 2HG LYS 27 -1.380 1.265 7.227
190 2HG LYS 27 1HG LYS 27 -2.821 0.548 7.952
191 1HD LYS 27 1HD LYS 27 -1.386 -1.215 9.064
192 2HD LYS 27 2HD LYS 27 0.057 -0.519 8.314
193 1HE LYS 27 1HE LYS 27 -0.358 1.670 9.542
194 2HE LYS 27 2HE LYS 27 -1.801 0.975 10.295
195 1HZ LYS 27 3HZ LYS 27 -0.372 -0.713 11.334
196 2HZ LYS 27 1HZ LYS 27 0.975 -0.061 10.631
197 3HZ LYS 27 2HZ LYS 27 0.123 0.809 11.747
198 H CYS 28 H CYS 28 -3.798 2.188 4.938
199 HA CYS 28 HA CYS 28 -1.704 3.118 2.958
200 1HB CYS 28 1HB CYS 28 -4.303 3.367 2.577
201 2HB CYS 28 2HB CYS 28 -4.161 4.811 3.581
202 H MET 29 H MET 29 -0.181 4.446 3.445
203 HA MET 29 HA MET 29 -0.113 6.119 5.995
204 1HB MET 29 1HB MET 29 1.980 5.692 3.758
205 2HB MET 29 2HB MET 29 2.210 6.769 5.118
206 1HG MET 29 1HG MET 29 1.834 3.733 5.382
207 2HG MET 29 2HG MET 29 3.353 4.617 5.541
208 1HE MET 29 1HE MET 29 4.160 5.835 7.679
209 2HE MET 29 3HE MET 29 2.982 7.148 7.368
210 3HE MET 29 2HE MET 29 3.089 6.407 8.990
211 H ASN 30 H ASN 30 1.099 8.438 5.116
212 HA ASN 30 HA ASN 30 -1.305 9.986 4.487
213 1HB ASN 30 1HB ASN 30 1.640 10.891 4.594
214 2HB ASN 30 2HB ASN 30 0.291 11.988 4.360
215 1HD2 ASN 30 1HD2 ASN 30 -0.675 11.923 7.834
216 2HD2 ASN 30 2HD2 ASN 30 -1.202 12.359 6.125
217 H ARG 31 H ARG 31 -2.185 9.672 2.643
218 HA ARG 31 HA ARG 31 -2.749 9.707 0.397
219 1HB ARG 31 1HB ARG 31 -0.273 11.486 -0.053
220 2HB ARG 31 2HB ARG 31 -1.514 11.154 -1.248
221 1HG ARG 31 1HG ARG 31 -3.282 12.163 0.296
222 2HG ARG 31 2HG ARG 31 -1.998 12.593 1.415
223 1HD ARG 31 1HD ARG 31 -2.462 14.573 0.150
224 2HD ARG 31 2HD ARG 31 -0.884 13.997 -0.400
225 HE ARG 31 HE ARG 31 -3.003 12.914 -2.153
226 1HH1 ARG 31 2HH2 ARG 31 -1.306 15.967 -1.487
227 2HH1 ARG 31 1HH2 ARG 31 -1.641 16.541 -3.197
228 1HH2 ARG 31 1HH1 ARG 31 -3.325 13.667 -4.071
229 2HH2 ARG 31 2HH1 ARG 31 -2.707 15.324 -4.560
230 H LYS 32 H LYS 32 -0.478 7.598 1.310
231 HA LYS 32 HA LYS 32 -0.196 6.501 -1.535
232 1HB LYS 32 1HB LYS 32 2.244 6.895 0.337
233 2HB LYS 32 2HB LYS 32 2.213 5.816 -1.038
234 1HG LYS 32 2HG LYS 32 3.159 7.553 -2.108
235 2HG LYS 32 1HG LYS 32 1.487 7.924 -2.475
236 1HD LYS 32 1HD LYS 32 1.553 9.550 -0.397
237 2HD LYS 32 2HD LYS 32 3.258 9.180 -0.276
238 1HE LYS 32 1HE LYS 32 3.113 11.263 -1.453
239 2HE LYS 32 2HE LYS 32 3.582 10.077 -2.669
240 1HZ LYS 32 1HZ LYS 32 0.812 11.112 -2.233
241 2HZ LYS 32 2HZ LYS 32 1.823 11.540 -3.466
242 3HZ LYS 32 3HZ LYS 32 1.230 10.001 -3.381
243 H CYS 33 H CYS 33 -0.820 4.531 -1.583
244 HA CYS 33 HA CYS 33 -1.480 2.834 0.664
245 1HB CYS 33 1HB CYS 33 -1.128 2.243 -2.338
246 2HB CYS 33 2HB CYS 33 -1.660 0.996 -1.199
247 H HIS 34 H HIS 34 -0.553 1.153 1.700
248 HA HIS 34 HA HIS 34 2.060 -0.070 0.659
249 1HB HIS 34 1HB HIS 34 1.528 0.748 3.591
250 2HB HIS 34 2HB HIS 34 2.788 -0.363 3.088
251 HD1 HIS 34 HD1 HIS 34 5.014 0.658 1.900
252 HD2 HIS 34 HD2 HIS 34 1.854 3.413 2.809
253 HE1 HIS 34 HE1 HIS 34 5.820 3.084 1.585
254 HE2 HIS 34 HE2 HIS 34 3.992 4.827 2.107
255 H CYS 35 H CYS 35 1.411 -1.984 0.058
256 HA CYS 35 HA CYS 35 -0.842 -3.474 1.355
257 1HB CYS 35 1HB CYS 35 1.035 -4.330 -0.945
258 2HB CYS 35 2HB CYS 35 -0.439 -5.168 -0.415
259 H THR 36 H THR 36 -0.700 -5.572 2.201
260 HA THR 36 HA THR 36 1.952 -6.346 3.533
261 HB THR 36 HB THR 36 -0.899 -7.208 4.263
262 HG1 THR 36 HG1 THR 36 -0.480 -5.909 6.056
263 1HG2 THR 36 3HG2 THR 36 1.770 -7.731 5.736
264 2HG2 THR 36 1HG2 THR 36 0.142 -8.095 6.364
265 3HG2 THR 36 2HG2 THR 36 0.755 -8.965 4.943
266 HA PRO 37 HA PRO 37 1.560 -9.131 -0.159
267 1HB PRO 37 1HB PRO 37 4.082 -10.409 -0.053
268 2HB PRO 37 2HB PRO 37 3.749 -8.812 -0.729
269 1HG PRO 37 2HG PRO 37 4.720 -9.474 2.101
270 2HG PRO 37 1HG PRO 37 5.406 -8.286 0.969
271 1HD PRO 37 1HD PRO 37 3.717 -7.456 2.914
272 2HD PRO 37 2HD PRO 37 3.510 -6.769 1.270
273 H LYS 38 H LYS 38 1.030 -11.134 -0.681
274 HA LYS 38 HA LYS 38 0.188 -12.976 1.539
275 1HB LYS 38 1HB LYS 38 -1.311 -12.191 -0.371
276 2HB LYS 38 2HB LYS 38 -0.349 -13.132 -1.501
277 1HG LYS 38 1HG LYS 38 -0.980 -15.232 -0.162
278 2HG LYS 38 2HG LYS 38 -1.978 -14.237 0.888
279 1HD LYS 38 1HD LYS 38 -2.346 -14.636 -2.150
280 2HD LYS 38 2HD LYS 38 -3.276 -15.442 -0.907
281 1HE LYS 38 1HE LYS 38 -3.339 -12.395 -1.475
282 2HE LYS 38 2HE LYS 38 -4.519 -13.572 -2.034
283 1HZ LYS 38 2HZ LYS 38 -5.093 -14.053 0.284
284 2HZ LYS 38 3HZ LYS 38 -3.987 -12.953 0.828
285 3HZ LYS 38 1HZ LYS 38 -5.290 -12.447 -0.051
No H/Q in entry = 285
Start of MODEL 2
Raw file had 289 H/Q atoms
Start of MODEL 2
1 1H GLY 1 2H GLY 1 5.769 -4.646 4.116
2 2H GLY 1 3H GLY 1 4.426 -4.236 4.984
3 3H GLY 1 1H GLY 1 4.266 -4.908 3.484
4 1HA GLY 1 1HA GLY 1 3.817 -2.499 3.421
5 2HA GLY 1 2HA GLY 1 5.426 -2.226 4.084
6 H VAL 2 H VAL 2 3.621 -2.990 1.267
7 HA VAL 2 HA VAL 2 6.138 -3.004 -0.512
8 HB VAL 2 HB VAL 2 3.512 -4.528 -0.957
9 1HG1 VAL 2 1HG2 VAL 2 5.935 -4.251 -2.866
10 2HG1 VAL 2 2HG2 VAL 2 4.577 -5.385 -3.083
11 3HG1 VAL 2 3HG2 VAL 2 4.289 -3.642 -3.162
12 1HG2 VAL 2 2HG1 VAL 2 5.159 -5.681 0.602
13 2HG2 VAL 2 3HG1 VAL 2 4.954 -6.565 -0.918
14 3HG2 VAL 2 1HG1 VAL 2 6.414 -5.577 -0.648
15 HA PRO 3 HA PRO 3 3.883 0.984 -1.345
16 1HB PRO 3 1HB PRO 3 6.283 1.488 -3.162
17 2HB PRO 3 2HB PRO 3 5.535 2.552 -1.960
18 1HG PRO 3 1HG PRO 3 7.876 1.240 -1.421
19 2HG PRO 3 2HG PRO 3 6.652 1.434 -0.152
20 1HD PRO 3 1HD PRO 3 7.237 -1.055 -1.825
21 2HD PRO 3 2HD PRO 3 6.843 -0.910 -0.084
22 H ILE 4 H ILE 4 2.201 0.901 -2.644
23 HA ILE 4 HA ILE 4 2.540 0.342 -5.643
24 HB ILE 4 HB ILE 4 0.227 -0.318 -5.863
25 1HG1 ILE 4 2HG1 ILE 4 -0.097 -0.472 -2.806
26 2HG1 ILE 4 1HG1 ILE 4 -0.721 0.829 -3.805
27 1HG2 ILE 4 2HG2 ILE 4 2.014 -2.054 -5.600
28 2HG2 ILE 4 3HG2 ILE 4 1.671 -2.159 -3.858
29 3HG2 ILE 4 1HG2 ILE 4 0.438 -2.641 -5.048
30 1HD1 ILE 4 2HD1 ILE 4 -2.185 -0.739 -5.094
31 2HD1 ILE 4 3HD1 ILE 4 -1.634 -2.092 -4.071
32 3HD1 ILE 4 1HD1 ILE 4 -2.534 -0.740 -3.351
33 H ASN 5 H ASN 5 1.708 1.814 -7.020
34 HA ASN 5 HA ASN 5 1.457 4.592 -5.961
35 1HB ASN 5 1HB ASN 5 1.588 5.379 -8.215
36 2HB ASN 5 2HB ASN 5 2.868 4.239 -7.852
37 1HD2 ASN 5 1HD2 ASN 5 1.713 3.500 -11.321
38 2HD2 ASN 5 2HD2 ASN 5 2.393 4.954 -10.422
39 H VAL 6 H VAL 6 -0.420 4.477 -4.799
40 HA VAL 6 HA VAL 6 -3.002 4.958 -6.333
41 HB VAL 6 HB VAL 6 -2.774 2.891 -4.048
42 1HG1 VAL 6 3HG2 VAL 6 -4.897 4.213 -3.779
43 2HG1 VAL 6 1HG2 VAL 6 -5.342 3.867 -5.470
44 3HG1 VAL 6 2HG2 VAL 6 -5.237 2.550 -4.271
45 1HG2 VAL 6 1HG1 VAL 6 -3.640 2.491 -6.987
46 2HG2 VAL 6 2HG1 VAL 6 -2.157 1.861 -6.227
47 3HG2 VAL 6 3HG1 VAL 6 -3.731 1.257 -5.704
48 H SER 7 H SER 7 -3.511 6.901 -5.681
49 HA SER 7 HA SER 7 -2.395 8.139 -3.212
50 1HB SER 7 1HB SER 7 -3.435 10.250 -3.956
51 2HB SER 7 2HB SER 7 -2.464 9.495 -5.219
52 HG SER 7 HG SER 7 -4.456 10.247 -5.979
53 H CYS 8 H CYS 8 -3.289 8.024 -1.307
54 HA CYS 8 HA CYS 8 -6.014 6.852 -0.933
55 1HB CYS 8 1HB CYS 8 -4.018 7.751 1.249
56 2HB CYS 8 2HB CYS 8 -5.419 6.681 1.453
57 H THR 9 H THR 9 -7.594 7.532 0.356
58 HA THR 9 HA THR 9 -7.565 10.223 1.738
59 HB THR 9 HB THR 9 -8.674 10.841 -0.296
60 HG1 THR 9 HG1 THR 9 -10.486 10.492 1.839
61 1HG2 THR 9 2HG2 THR 9 -9.686 8.732 -1.175
62 2HG2 THR 9 3HG2 THR 9 -10.860 8.712 0.167
63 3HG2 THR 9 1HG2 THR 9 -10.892 10.026 -1.031
64 H GLY 10 H GLY 10 -6.872 8.503 3.193
65 1HA GLY 10 1HA GLY 10 -7.671 7.551 5.388
66 2HA GLY 10 2HA GLY 10 -9.181 7.066 4.637
67 H SER 11 H SER 11 -7.471 5.397 6.083
68 HA SER 11 HA SER 11 -5.868 3.570 4.434
69 1HB SER 11 1HB SER 11 -7.175 3.076 7.170
70 2HB SER 11 2HB SER 11 -6.081 1.953 6.360
71 HG SER 11 HG SER 11 -5.502 4.648 7.004
72 HA PRO 12 HA PRO 12 -9.897 0.652 3.970
73 1HB PRO 12 1HB PRO 12 -11.863 2.969 3.567
74 2HB PRO 12 2HB PRO 12 -12.190 1.307 4.109
75 1HG PRO 12 2HG PRO 12 -12.030 3.275 5.959
76 2HG PRO 12 1HG PRO 12 -11.205 1.732 6.291
77 1HD PRO 12 2HD PRO 12 -9.972 4.347 5.274
78 2HD PRO 12 1HD PRO 12 -9.362 3.235 6.535
79 H GLN 13 H GLN 13 -9.232 3.626 2.193
80 HA GLN 13 HA GLN 13 -10.188 2.871 -0.463
81 1HB GLN 13 1HB GLN 13 -7.835 4.705 0.359
82 2HB GLN 13 2HB GLN 13 -8.431 4.570 -1.278
83 1HG GLN 13 2HG GLN 13 -10.052 5.628 1.107
84 2HG GLN 13 1HG GLN 13 -9.270 6.588 -0.119
85 1HE2 GLN 13 1HE2 GLN 13 -11.920 6.009 -2.541
86 2HE2 GLN 13 2HE2 GLN 13 -10.154 6.488 -2.351
87 H CYS 14 H CYS 14 -7.020 2.181 1.067
88 HA CYS 14 HA CYS 14 -5.835 0.914 -1.339
89 1HB CYS 14 1HB CYS 14 -5.025 0.758 1.634
90 2HB CYS 14 2HB CYS 14 -4.014 0.256 0.265
91 H ILE 15 H ILE 15 -8.036 -0.452 1.040
92 HA ILE 15 HA ILE 15 -7.105 -3.142 1.244
93 HB ILE 15 HB ILE 15 -9.988 -2.103 1.301
94 1HG1 ILE 15 1HG1 ILE 15 -8.541 -0.983 2.994
95 2HG1 ILE 15 2HG1 ILE 15 -9.879 -1.864 3.659
96 1HG2 ILE 15 3HG2 ILE 15 -9.009 -4.818 2.361
97 2HG2 ILE 15 1HG2 ILE 15 -10.605 -4.100 2.699
98 3HG2 ILE 15 2HG2 ILE 15 -10.165 -4.534 1.041
99 1HD1 ILE 15 3HD1 ILE 15 -6.965 -2.892 3.658
100 2HD1 ILE 15 1HD1 ILE 15 -7.782 -2.107 5.026
101 3HD1 ILE 15 2HD1 ILE 15 -8.339 -3.696 4.452
102 H LYS 16 H LYS 16 -9.600 -2.064 -1.177
103 HA LYS 16 HA LYS 16 -9.553 -4.652 -2.565
104 1HB LYS 16 2HB LYS 16 -11.550 -3.274 -2.625
105 2HB LYS 16 1HB LYS 16 -10.738 -1.971 -3.451
106 1HG LYS 16 1HG LYS 16 -12.131 -3.163 -5.023
107 2HG LYS 16 2HG LYS 16 -10.457 -3.373 -5.499
108 1HD LYS 16 1HD LYS 16 -10.459 -5.687 -4.433
109 2HD LYS 16 2HD LYS 16 -12.143 -5.488 -3.982
110 1HE LYS 16 1HE LYS 16 -11.065 -5.451 -6.892
111 2HE LYS 16 2HE LYS 16 -11.703 -6.878 -6.081
112 1HZ LYS 16 1HZ LYS 16 -13.854 -5.754 -5.864
113 2HZ LYS 16 2HZ LYS 16 -13.273 -4.407 -6.624
114 3HZ LYS 16 3HZ LYS 16 -13.389 -5.836 -7.448
115 HA PRO 17 HA PRO 17 -6.486 -2.573 -5.955
116 1HB PRO 17 1HB PRO 17 -5.086 -0.740 -3.929
117 2HB PRO 17 2HB PRO 17 -5.179 -0.589 -5.698
118 1HG PRO 17 2HG PRO 17 -6.856 0.883 -4.144
119 2HG PRO 17 1HG PRO 17 -7.498 0.101 -5.608
120 1HD PRO 17 1HD PRO 17 -7.793 -0.797 -2.705
121 2HD PRO 17 2HD PRO 17 -8.990 -0.824 -4.031
122 H CYS 18 H CYS 18 -5.297 -2.866 -2.573
123 HA CYS 18 HA CYS 18 -2.911 -4.482 -3.121
124 1HB CYS 18 1HB CYS 18 -4.688 -4.226 -0.606
125 2HB CYS 18 2HB CYS 18 -3.206 -5.181 -0.655
126 H LYS 19 H LYS 19 -6.243 -5.545 -2.200
127 HA LYS 19 HA LYS 19 -5.688 -8.387 -2.266
128 1HB LYS 19 1HB LYS 19 -7.680 -7.144 -1.157
129 2HB LYS 19 2HB LYS 19 -8.417 -7.038 -2.739
130 1HG LYS 19 1HG LYS 19 -9.433 -8.865 -1.599
131 2HG LYS 19 2HG LYS 19 -8.442 -9.598 -2.850
132 1HD LYS 19 1HD LYS 19 -6.662 -10.141 -1.152
133 2HD LYS 19 2HD LYS 19 -7.570 -9.294 0.106
134 1HE LYS 19 1HE LYS 19 -9.477 -10.967 -0.172
135 2HE LYS 19 2HE LYS 19 -8.536 -11.816 -1.410
136 1HZ LYS 19 3HZ LYS 19 -6.810 -12.225 0.271
137 2HZ LYS 19 1HZ LYS 19 -7.687 -11.432 1.423
138 3HZ LYS 19 2HZ LYS 19 -8.264 -12.834 0.766
139 H ASP 20 H ASP 20 -7.194 -6.397 -4.875
140 HA ASP 20 HA ASP 20 -7.248 -8.600 -6.825
141 1HB ASP 20 1HB ASP 20 -7.802 -6.960 -8.540
142 2HB ASP 20 2HB ASP 20 -8.796 -6.797 -7.121
143 H ALA 21 H ALA 21 -4.628 -6.281 -6.115
144 HA ALA 21 HA ALA 21 -2.922 -7.049 -8.401
145 1HB ALA 21 2HB ALA 21 -2.510 -4.962 -7.116
146 2HB ALA 21 3HB ALA 21 -2.131 -5.891 -5.645
147 3HB ALA 21 1HB ALA 21 -1.071 -6.000 -7.069
148 H GLY 22 H GLY 22 -2.836 -8.150 -4.978
149 1HA GLY 22 2HA GLY 22 -2.765 -10.859 -5.119
150 2HA GLY 22 1HA GLY 22 -1.132 -10.579 -5.714
151 H MET 23 H MET 23 -3.025 -9.078 -3.075
152 HA MET 23 HA MET 23 -1.000 -10.029 -0.988
153 1HB MET 23 1HB MET 23 -1.898 -7.089 -1.419
154 2HB MET 23 2HB MET 23 -1.015 -7.670 -0.031
155 1HG MET 23 2HG MET 23 0.816 -6.978 -1.142
156 2HG MET 23 1HG MET 23 0.756 -8.548 -1.937
157 1HE MET 23 3HE MET 23 2.359 -7.082 -3.645
158 2HE MET 23 2HE MET 23 1.742 -5.719 -4.632
159 3HE MET 23 1HE MET 23 1.964 -5.520 -2.869
160 H ARG 24 H ARG 24 -1.737 -9.318 1.222
161 HA ARG 24 HA ARG 24 -4.518 -10.460 1.670
162 1HB ARG 24 1HB ARG 24 -2.270 -9.840 3.678
163 2HB ARG 24 2HB ARG 24 -3.856 -10.445 4.126
164 1HG ARG 24 2HG ARG 24 -3.525 -12.529 2.829
165 2HG ARG 24 1HG ARG 24 -1.969 -11.974 2.239
166 1HD ARG 24 1HD ARG 24 -2.629 -12.453 5.222
167 2HD ARG 24 2HD ARG 24 -1.853 -13.630 4.156
168 HE ARG 24 HE ARG 24 -0.264 -11.187 4.045
169 1HH1 ARG 24 2HH2 ARG 24 -1.028 -13.783 6.353
170 2HH1 ARG 24 1HH2 ARG 24 0.581 -13.525 7.198
171 1HH2 ARG 24 1HH1 ARG 24 1.538 -10.980 5.084
172 2HH2 ARG 24 2HH1 ARG 24 1.933 -12.045 6.525
173 H PHE 25 H PHE 25 -2.711 -7.676 3.095
174 HA PHE 25 HA PHE 25 -5.389 -6.219 3.460
175 1HB PHE 25 1HB PHE 25 -2.834 -5.894 5.166
176 2HB PHE 25 2HB PHE 25 -4.367 -5.116 5.432
177 HD1 PHE 25 HD2 PHE 25 -6.447 -6.534 6.055
178 HD2 PHE 25 HD1 PHE 25 -2.458 -8.152 6.075
179 HE1 PHE 25 HE2 PHE 25 -7.199 -8.411 7.460
180 HE2 PHE 25 HE1 PHE 25 -3.229 -10.017 7.474
181 HZ PHE 25 HZ PHE 25 -5.597 -10.156 8.169
182 H GLY 26 H GLY 26 -5.221 -3.925 3.602
183 1HA GLY 26 2HA GLY 26 -3.085 -2.567 1.842
184 2HA GLY 26 1HA GLY 26 -4.785 -2.301 1.506
185 H LYS 27 H LYS 27 -2.173 -1.663 3.645
186 HA LYS 27 HA LYS 27 -3.871 0.174 5.442
187 1HB LYS 27 1HB LYS 27 -1.175 -1.225 5.975
188 2HB LYS 27 2HB LYS 27 -1.839 0.026 7.012
189 1HG LYS 27 1HG LYS 27 -3.840 -1.294 7.538
190 2HG LYS 27 2HG LYS 27 -3.412 -2.560 6.402
191 1HD LYS 27 1HD LYS 27 -1.687 -1.820 8.856
192 2HD LYS 27 2HD LYS 27 -2.960 -3.036 8.871
193 1HE LYS 27 1HE LYS 27 -1.768 -4.360 7.068
194 2HE LYS 27 2HE LYS 27 -0.455 -3.174 7.057
195 1HZ LYS 27 2HZ LYS 27 -1.261 -4.813 9.410
196 2HZ LYS 27 3HZ LYS 27 0.072 -5.056 8.467
197 3HZ LYS 27 1HZ LYS 27 -0.040 -3.701 9.405
198 H CYS 28 H CYS 28 -3.652 2.234 5.036
199 HA CYS 28 HA CYS 28 -1.515 3.149 3.107
200 1HB CYS 28 1HB CYS 28 -4.009 3.519 2.662
201 2HB CYS 28 2HB CYS 28 -3.979 4.784 3.901
202 H MET 29 H MET 29 0.023 4.485 3.562
203 HA MET 29 HA MET 29 0.193 6.048 6.191
204 1HB MET 29 1HB MET 29 2.304 5.613 3.978
205 2HB MET 29 2HB MET 29 2.551 6.559 5.436
206 1HG MET 29 1HG MET 29 2.001 3.536 5.441
207 2HG MET 29 2HG MET 29 3.568 4.324 5.679
208 1HE MET 29 1HE MET 29 3.723 2.864 7.981
209 2HE MET 29 3HE MET 29 2.509 2.977 9.291
210 3HE MET 29 2HE MET 29 2.067 2.226 7.730
211 H ASN 30 H ASN 30 1.680 8.274 5.084
212 HA ASN 30 HA ASN 30 -0.626 10.041 4.714
213 1HB ASN 30 1HB ASN 30 2.382 10.658 4.400
214 2HB ASN 30 2HB ASN 30 1.118 11.867 4.326
215 1HD2 ASN 30 1HD2 ASN 30 2.298 10.778 8.016
216 2HD2 ASN 30 2HD2 ASN 30 3.110 10.130 6.497
217 H ARG 31 H ARG 31 -1.768 9.739 3.008
218 HA ARG 31 HA ARG 31 -2.596 9.619 0.838
219 1HB ARG 31 1HB ARG 31 -0.212 11.385 0.010
220 2HB ARG 31 2HB ARG 31 -1.656 11.096 -0.944
221 1HG ARG 31 1HG ARG 31 -1.596 12.589 1.737
222 2HG ARG 31 2HG ARG 31 -1.653 13.309 0.136
223 1HD ARG 31 1HD ARG 31 -3.903 12.196 -0.295
224 2HD ARG 31 2HD ARG 31 -3.862 11.516 1.344
225 HE ARG 31 HE ARG 31 -3.491 14.397 1.578
226 1HH1 ARG 31 2HH2 ARG 31 -6.057 12.099 0.689
227 2HH1 ARG 31 1HH2 ARG 31 -7.336 13.296 1.238
228 1HH2 ARG 31 1HH1 ARG 31 -5.030 15.677 2.170
229 2HH2 ARG 31 2HH1 ARG 31 -6.791 15.183 2.018
230 H LYS 32 H LYS 32 -0.398 7.516 1.579
231 HA LYS 32 HA LYS 32 0.028 6.506 -1.303
232 1HB LYS 32 1HB LYS 32 2.203 6.705 0.891
233 2HB LYS 32 2HB LYS 32 2.364 5.752 -0.581
234 1HG LYS 32 1HG LYS 32 2.087 7.813 -1.993
235 2HG LYS 32 2HG LYS 32 1.973 8.800 -0.533
236 1HD LYS 32 1HD LYS 32 4.272 8.034 0.182
237 2HD LYS 32 2HD LYS 32 4.395 7.029 -1.269
238 1HE LYS 32 1HE LYS 32 4.197 9.106 -2.726
239 2HE LYS 32 2HE LYS 32 4.072 10.112 -1.276
240 1HZ LYS 32 1HZ LYS 32 6.407 8.394 -1.969
241 2HZ LYS 32 2HZ LYS 32 6.337 10.039 -2.114
242 3HZ LYS 32 3HZ LYS 32 6.292 9.338 -0.619
243 H CYS 33 H CYS 33 -0.748 4.557 -1.491
244 HA CYS 33 HA CYS 33 -1.542 2.784 0.697
245 1HB CYS 33 1HB CYS 33 -1.244 2.341 -2.339
246 2HB CYS 33 2HB CYS 33 -1.855 1.081 -1.253
247 H HIS 34 H HIS 34 -0.518 1.167 1.740
248 HA HIS 34 HA HIS 34 2.006 -0.110 0.535
249 1HB HIS 34 1HB HIS 34 1.645 0.706 3.490
250 2HB HIS 34 2HB HIS 34 2.912 -0.346 2.885
251 HD1 HIS 34 HD1 HIS 34 4.876 0.796 1.254
252 HD2 HIS 34 HD2 HIS 34 1.892 3.370 2.950
253 HE1 HIS 34 HE1 HIS 34 5.550 3.269 0.968
254 HE2 HIS 34 HE2 HIS 34 3.821 4.902 1.953
255 H CYS 35 H CYS 35 1.441 -2.070 0.059
256 HA CYS 35 HA CYS 35 -0.831 -3.501 1.372
257 1HB CYS 35 1HB CYS 35 1.046 -4.445 -0.891
258 2HB CYS 35 2HB CYS 35 -0.480 -5.201 -0.383
259 H THR 36 H THR 36 -0.752 -5.547 2.319
260 HA THR 36 HA THR 36 1.876 -6.356 3.668
261 HB THR 36 HB THR 36 -1.000 -7.143 4.386
262 HG1 THR 36 HG1 THR 36 -0.564 -5.803 6.149
263 1HG2 THR 36 3HG2 THR 36 1.640 -7.684 5.904
264 2HG2 THR 36 1HG2 THR 36 -0.002 -7.991 6.525
265 3HG2 THR 36 2HG2 THR 36 0.606 -8.917 5.137
266 HA PRO 37 HA PRO 37 1.465 -9.222 0.067
267 1HB PRO 37 1HB PRO 37 3.983 -10.485 0.145
268 2HB PRO 37 2HB PRO 37 3.646 -8.883 -0.516
269 1HG PRO 37 1HG PRO 37 4.670 -9.568 2.286
270 2HG PRO 37 2HG PRO 37 5.310 -8.350 1.154
271 1HD PRO 37 1HD PRO 37 3.636 -7.609 3.176
272 2HD PRO 37 2HD PRO 37 3.445 -6.850 1.564
273 H LYS 38 H LYS 38 0.935 -11.225 -0.435
274 HA LYS 38 HA LYS 38 0.088 -13.032 1.810
275 1HB LYS 38 1HB LYS 38 -1.408 -12.250 -0.102
276 2HB LYS 38 2HB LYS 38 -0.473 -13.224 -1.223
277 1HG LYS 38 1HG LYS 38 -1.123 -15.299 0.092
278 2HG LYS 38 2HG LYS 38 -2.041 -14.312 1.219
279 1HD LYS 38 1HD LYS 38 -2.608 -14.555 -1.810
280 2HD LYS 38 2HD LYS 38 -3.419 -15.478 -0.551
281 1HE LYS 38 1HE LYS 38 -4.342 -13.324 0.454
282 2HE LYS 38 2HE LYS 38 -3.564 -12.398 -0.836
283 1HZ LYS 38 2HZ LYS 38 -4.889 -13.633 -2.462
284 2HZ LYS 38 3HZ LYS 38 -5.627 -14.498 -1.262
285 3HZ LYS 38 1HZ LYS 38 -5.863 -12.867 -1.367
No H/Q in entry = 285
Start of MODEL 3
Raw file had 289 H/Q atoms
Start of MODEL 3
1 1H GLY 1 3H GLY 1 2.852 -2.166 4.492
2 2H GLY 1 1H GLY 1 2.235 -3.242 3.402
3 3H GLY 1 2H GLY 1 2.341 -3.652 5.000
4 1HA GLY 1 2HA GLY 1 4.755 -3.626 4.947
5 2HA GLY 1 1HA GLY 1 4.102 -4.787 3.799
6 H VAL 2 H VAL 2 4.435 -4.436 1.631
7 HA VAL 2 HA VAL 2 6.579 -2.518 0.882
8 HB VAL 2 HB VAL 2 6.566 -3.537 -1.379
9 1HG1 VAL 2 3HG2 VAL 2 8.022 -4.465 0.414
10 2HG1 VAL 2 1HG2 VAL 2 6.754 -5.625 0.876
11 3HG1 VAL 2 2HG2 VAL 2 7.516 -5.723 -0.731
12 1HG2 VAL 2 2HG1 VAL 2 4.177 -4.249 -1.661
13 2HG2 VAL 2 3HG1 VAL 2 5.286 -5.608 -1.909
14 3HG2 VAL 2 1HG1 VAL 2 4.368 -5.475 -0.391
15 HA PRO 3 HA PRO 3 3.728 0.680 -0.586
16 1HB PRO 3 1HB PRO 3 5.434 2.352 -2.021
17 2HB PRO 3 2HB PRO 3 5.431 2.188 -0.267
18 1HG PRO 3 1HG PRO 3 7.281 0.794 -2.260
19 2HG PRO 3 2HG PRO 3 7.729 1.646 -0.760
20 1HD PRO 3 1HD PRO 3 7.469 -1.105 -0.852
21 2HD PRO 3 2HD PRO 3 7.010 -0.189 0.616
22 H ILE 4 H ILE 4 2.281 0.820 -2.122
23 HA ILE 4 HA ILE 4 2.983 0.299 -5.056
24 HB ILE 4 HB ILE 4 0.779 -0.453 -5.611
25 1HG1 ILE 4 1HG1 ILE 4 -0.031 -0.692 -2.652
26 2HG1 ILE 4 2HG1 ILE 4 -0.520 0.627 -3.700
27 1HG2 ILE 4 2HG2 ILE 4 2.555 -2.141 -5.092
28 2HG2 ILE 4 3HG2 ILE 4 1.945 -2.287 -3.427
29 3HG2 ILE 4 1HG2 ILE 4 0.930 -2.782 -4.803
30 1HD1 ILE 4 2HD1 ILE 4 -1.687 -0.935 -5.275
31 2HD1 ILE 4 3HD1 ILE 4 -1.298 -2.301 -4.197
32 3HD1 ILE 4 1HD1 ILE 4 -2.344 -0.982 -3.624
33 H ASN 5 H ASN 5 2.286 1.819 -6.470
34 HA ASN 5 HA ASN 5 1.749 4.522 -5.310
35 1HB ASN 5 1HB ASN 5 2.174 5.460 -7.472
36 2HB ASN 5 2HB ASN 5 3.439 4.364 -6.982
37 1HD2 ASN 5 1HD2 ASN 5 1.833 3.710 -10.599
38 2HD2 ASN 5 2HD2 ASN 5 1.458 5.197 -9.584
39 H VAL 6 H VAL 6 -0.257 4.409 -4.474
40 HA VAL 6 HA VAL 6 -2.613 4.713 -6.374
41 HB VAL 6 HB VAL 6 -2.618 2.732 -4.002
42 1HG1 VAL 6 3HG2 VAL 6 -4.815 3.935 -4.068
43 2HG1 VAL 6 1HG2 VAL 6 -5.000 3.549 -5.797
44 3HG1 VAL 6 2HG2 VAL 6 -5.004 2.252 -4.574
45 1HG2 VAL 6 1HG1 VAL 6 -3.041 2.204 -7.019
46 2HG2 VAL 6 2HG1 VAL 6 -1.656 1.666 -6.037
47 3HG2 VAL 6 3HG1 VAL 6 -3.259 1.002 -5.720
48 H SER 7 H SER 7 -3.439 6.596 -5.857
49 HA SER 7 HA SER 7 -2.597 8.107 -3.475
50 1HB SER 7 1HB SER 7 -3.900 9.996 -4.370
51 2HB SER 7 2HB SER 7 -2.840 9.271 -5.576
52 HG SER 7 HG SER 7 -4.654 8.121 -6.373
53 H CYS 8 H CYS 8 -3.438 7.973 -1.555
54 HA CYS 8 HA CYS 8 -6.129 6.728 -1.049
55 1HB CYS 8 1HB CYS 8 -3.996 7.666 0.984
56 2HB CYS 8 2HB CYS 8 -5.414 6.658 1.330
57 H THR 9 H THR 9 -7.653 7.446 0.273
58 HA THR 9 HA THR 9 -7.578 10.177 1.577
59 HB THR 9 HB THR 9 -8.764 10.719 -0.440
60 HG1 THR 9 HG1 THR 9 -9.383 11.565 1.546
61 1HG2 THR 9 2HG2 THR 9 -9.797 8.568 -1.198
62 2HG2 THR 9 3HG2 THR 9 -10.928 8.608 0.178
63 3HG2 THR 9 1HG2 THR 9 -10.998 9.869 -1.071
64 H GLY 10 H GLY 10 -6.836 8.485 3.061
65 1HA GLY 10 2HA GLY 10 -7.606 7.648 5.328
66 2HA GLY 10 1HA GLY 10 -9.110 7.097 4.611
67 H SER 11 H SER 11 -7.421 5.518 6.125
68 HA SER 11 HA SER 11 -5.772 3.656 4.551
69 1HB SER 11 1HB SER 11 -7.010 3.276 7.334
70 2HB SER 11 2HB SER 11 -5.914 2.131 6.558
71 HG SER 11 HG SER 11 -4.839 3.604 7.872
72 HA PRO 12 HA PRO 12 -9.709 0.619 4.266
73 1HB PRO 12 1HB PRO 12 -11.781 2.848 3.885
74 2HB PRO 12 2HB PRO 12 -12.018 1.192 4.488
75 1HG PRO 12 2HG PRO 12 -11.872 3.227 6.268
76 2HG PRO 12 1HG PRO 12 -10.977 1.728 6.619
77 1HD PRO 12 1HD PRO 12 -9.881 4.351 5.469
78 2HD PRO 12 2HD PRO 12 -9.191 3.310 6.749
79 H GLN 13 H GLN 13 -9.132 3.540 2.405
80 HA GLN 13 HA GLN 13 -10.232 2.734 -0.182
81 1HB GLN 13 1HB GLN 13 -7.848 4.595 0.466
82 2HB GLN 13 2HB GLN 13 -8.539 4.419 -1.131
83 1HG GLN 13 1HG GLN 13 -10.016 5.529 1.325
84 2HG GLN 13 2HG GLN 13 -9.326 6.459 0.021
85 1HE2 GLN 13 1HE2 GLN 13 -12.120 5.783 -2.207
86 2HE2 GLN 13 2HE2 GLN 13 -10.346 6.270 -2.150
87 H CYS 14 H CYS 14 -7.024 1.989 1.229
88 HA CYS 14 HA CYS 14 -5.950 0.740 -1.247
89 1HB CYS 14 1HB CYS 14 -4.999 0.545 1.681
90 2HB CYS 14 2HB CYS 14 -4.065 0.047 0.257
91 H ILE 15 H ILE 15 -8.183 -0.619 1.063
92 HA ILE 15 HA ILE 15 -7.279 -3.343 1.207
93 HB ILE 15 HB ILE 15 -10.152 -2.270 1.296
94 1HG1 ILE 15 2HG1 ILE 15 -8.749 -1.150 2.999
95 2HG1 ILE 15 1HG1 ILE 15 -10.031 -2.097 3.678
96 1HG2 ILE 15 3HG2 ILE 15 -9.155 -4.992 2.331
97 2HG2 ILE 15 1HG2 ILE 15 -10.757 -4.288 2.668
98 3HG2 ILE 15 2HG2 ILE 15 -10.307 -4.705 1.010
99 1HD1 ILE 15 3HD1 ILE 15 -7.061 -2.962 3.590
100 2HD1 ILE 15 1HD1 ILE 15 -7.909 -2.289 5.000
101 3HD1 ILE 15 2HD1 ILE 15 -8.369 -3.888 4.371
102 H LYS 16 H LYS 16 -9.715 -2.081 -1.181
103 HA LYS 16 HA LYS 16 -9.758 -4.595 -2.708
104 1HB LYS 16 1HB LYS 16 -11.642 -3.025 -2.666
105 2HB LYS 16 2HB LYS 16 -10.782 -1.826 -3.584
106 1HG LYS 16 1HG LYS 16 -11.309 -4.686 -4.640
107 2HG LYS 16 2HG LYS 16 -12.511 -3.412 -4.740
108 1HD LYS 16 1HD LYS 16 -10.984 -1.988 -6.126
109 2HD LYS 16 2HD LYS 16 -9.731 -3.229 -6.061
110 1HE LYS 16 1HE LYS 16 -11.259 -4.879 -7.215
111 2HE LYS 16 2HE LYS 16 -12.531 -3.650 -7.295
112 1HZ LYS 16 2HZ LYS 16 -9.845 -3.419 -8.567
113 2HZ LYS 16 3HZ LYS 16 -11.262 -3.748 -9.348
114 3HZ LYS 16 1HZ LYS 16 -11.032 -2.272 -8.643
115 HA PRO 17 HA PRO 17 -6.445 -2.497 -5.840
116 1HB PRO 17 1HB PRO 17 -5.084 -0.813 -3.657
117 2HB PRO 17 2HB PRO 17 -5.074 -0.573 -5.419
118 1HG PRO 17 1HG PRO 17 -6.771 0.890 -3.879
119 2HG PRO 17 2HG PRO 17 -7.363 0.211 -5.415
120 1HD PRO 17 1HD PRO 17 -7.855 -0.812 -2.582
121 2HD PRO 17 2HD PRO 17 -8.974 -0.724 -3.970
122 H CYS 18 H CYS 18 -5.557 -3.104 -2.413
123 HA CYS 18 HA CYS 18 -3.099 -4.632 -2.925
124 1HB CYS 18 1HB CYS 18 -5.014 -4.735 -0.504
125 2HB CYS 18 2HB CYS 18 -3.415 -5.491 -0.579
126 H LYS 19 H LYS 19 -6.423 -5.855 -2.160
127 HA LYS 19 HA LYS 19 -5.862 -8.663 -2.677
128 1HB LYS 19 1HB LYS 19 -7.819 -7.681 -1.378
129 2HB LYS 19 2HB LYS 19 -8.553 -7.158 -2.886
130 1HG LYS 19 2HG LYS 19 -8.703 -9.581 -3.630
131 2HG LYS 19 1HG LYS 19 -7.925 -10.087 -2.129
132 1HD LYS 19 1HD LYS 19 -9.825 -9.091 -0.800
133 2HD LYS 19 2HD LYS 19 -10.615 -8.555 -2.275
134 1HE LYS 19 1HE LYS 19 -10.019 -11.520 -1.584
135 2HE LYS 19 2HE LYS 19 -11.543 -10.701 -1.249
136 1HZ LYS 19 2HZ LYS 19 -11.837 -10.331 -3.636
137 2HZ LYS 19 3HZ LYS 19 -10.410 -11.092 -3.974
138 3HZ LYS 19 1HZ LYS 19 -11.662 -11.940 -3.310
139 H ASP 20 H ASP 20 -7.279 -6.248 -4.904
140 HA ASP 20 HA ASP 20 -7.587 -7.925 -7.240
141 1HB ASP 20 1HB ASP 20 -8.551 -5.585 -6.845
142 2HB ASP 20 2HB ASP 20 -6.970 -4.894 -7.152
143 H ALA 21 H ALA 21 -4.653 -6.093 -6.236
144 HA ALA 21 HA ALA 21 -2.983 -6.912 -8.555
145 1HB ALA 21 2HB ALA 21 -2.386 -4.926 -7.161
146 2HB ALA 21 3HB ALA 21 -2.136 -5.962 -5.733
147 3HB ALA 21 1HB ALA 21 -1.067 -6.112 -7.147
148 H GLY 22 H GLY 22 -3.262 -8.187 -5.218
149 1HA GLY 22 1HA GLY 22 -3.325 -10.824 -5.202
150 2HA GLY 22 2HA GLY 22 -1.767 -10.760 -6.015
151 H MET 23 H MET 23 -3.238 -9.089 -3.216
152 HA MET 23 HA MET 23 -0.984 -9.969 -1.367
153 1HB MET 23 1HB MET 23 -1.695 -6.996 -1.882
154 2HB MET 23 2HB MET 23 -0.622 -7.584 -0.626
155 1HG MET 23 1HG MET 23 0.854 -8.648 -2.491
156 2HG MET 23 2HG MET 23 -0.110 -7.704 -3.642
157 1HE MET 23 3HE MET 23 1.931 -6.411 -4.549
158 2HE MET 23 2HE MET 23 3.106 -5.516 -3.544
159 3HE MET 23 1HE MET 23 3.054 -7.303 -3.472
160 H ARG 24 H ARG 24 -1.395 -9.155 0.885
161 HA ARG 24 HA ARG 24 -4.072 -10.339 1.607
162 1HB ARG 24 1HB ARG 24 -1.654 -9.656 3.382
163 2HB ARG 24 2HB ARG 24 -3.153 -10.349 3.975
164 1HG ARG 24 1HG ARG 24 -2.860 -12.372 2.549
165 2HG ARG 24 2HG ARG 24 -1.370 -11.727 1.885
166 1HD ARG 24 1HD ARG 24 -1.794 -12.319 4.888
167 2HD ARG 24 2HD ARG 24 -1.095 -13.457 3.732
168 HE ARG 24 HE ARG 24 0.459 -11.003 3.543
169 1HH1 ARG 24 2HH2 ARG 24 -0.106 -13.632 5.870
170 2HH1 ARG 24 1HH2 ARG 24 1.573 -13.392 6.571
171 1HH2 ARG 24 1HH1 ARG 24 2.350 -10.820 4.420
172 2HH2 ARG 24 2HH1 ARG 24 2.866 -11.908 5.803
173 H PHE 25 H PHE 25 -2.335 -7.567 3.119
174 HA PHE 25 HA PHE 25 -5.065 -6.331 3.753
175 1HB PHE 25 1HB PHE 25 -2.373 -5.924 5.211
176 2HB PHE 25 2HB PHE 25 -3.906 -5.246 5.677
177 HD1 PHE 25 HD2 PHE 25 -5.841 -6.801 6.416
178 HD2 PHE 25 HD1 PHE 25 -1.804 -8.214 5.934
179 HE1 PHE 25 HE2 PHE 25 -6.359 -8.790 7.774
180 HE2 PHE 25 HE1 PHE 25 -2.340 -10.192 7.285
181 HZ PHE 25 HZ PHE 25 -4.616 -10.487 8.207
182 H GLY 26 H GLY 26 -5.026 -4.008 4.078
183 1HA GLY 26 2HA GLY 26 -3.285 -2.416 2.089
184 2HA GLY 26 1HA GLY 26 -5.035 -2.303 1.992
185 H LYS 27 H LYS 27 -2.214 -1.554 3.861
186 HA LYS 27 HA LYS 27 -3.802 0.305 5.735
187 1HB LYS 27 1HB LYS 27 -2.414 -1.580 6.789
188 2HB LYS 27 2HB LYS 27 -0.959 -0.837 6.175
189 1HG LYS 27 1HG LYS 27 -2.978 0.417 8.153
190 2HG LYS 27 2HG LYS 27 -1.506 -0.407 8.605
191 1HD LYS 27 1HD LYS 27 -1.710 2.291 7.158
192 2HD LYS 27 2HD LYS 27 -1.263 2.031 8.818
193 1HE LYS 27 1HE LYS 27 0.430 1.122 6.388
194 2HE LYS 27 2HE LYS 27 0.680 2.591 7.320
195 1HZ LYS 27 2HZ LYS 27 1.125 1.229 9.289
196 2HZ LYS 27 3HZ LYS 27 0.892 -0.162 8.428
197 3HZ LYS 27 1HZ LYS 27 2.153 0.837 8.054
198 H CYS 28 H CYS 28 -3.702 2.327 5.003
199 HA CYS 28 HA CYS 28 -1.572 3.113 3.007
200 1HB CYS 28 1HB CYS 28 -4.089 3.497 2.584
201 2HB CYS 28 2HB CYS 28 -3.991 4.853 3.716
202 H MET 29 H MET 29 -0.009 4.448 3.383
203 HA MET 29 HA MET 29 0.203 6.124 5.934
204 1HB MET 29 1HB MET 29 2.272 5.537 3.714
205 2HB MET 29 2HB MET 29 2.543 6.622 5.067
206 1HG MET 29 1HG MET 29 2.149 4.718 6.715
207 2HG MET 29 2HG MET 29 2.021 3.610 5.339
208 1HE MET 29 1HE MET 29 4.382 5.395 7.809
209 2HE MET 29 3HE MET 29 5.899 5.641 6.896
210 3HE MET 29 2HE MET 29 4.468 6.652 6.535
211 H ASN 30 H ASN 30 1.639 8.323 4.786
212 HA ASN 30 HA ASN 30 -0.696 10.047 4.430
213 1HB ASN 30 1HB ASN 30 2.296 10.716 4.076
214 2HB ASN 30 2HB ASN 30 1.010 11.902 4.024
215 1HD2 ASN 30 1HD2 ASN 30 2.271 10.836 7.692
216 2HD2 ASN 30 2HD2 ASN 30 3.070 10.207 6.158
217 H ARG 31 H ARG 31 -1.855 9.737 2.743
218 HA ARG 31 HA ARG 31 -2.714 9.611 0.585
219 1HB ARG 31 1HB ARG 31 -0.394 11.500 -0.154
220 2HB ARG 31 2HB ARG 31 -1.728 11.093 -1.225
221 1HG ARG 31 1HG ARG 31 -3.395 12.014 0.408
222 2HG ARG 31 2HG ARG 31 -2.077 12.497 1.482
223 1HD ARG 31 1HD ARG 31 -1.122 13.981 -0.337
224 2HD ARG 31 2HD ARG 31 -2.435 13.493 -1.425
225 HE ARG 31 HE ARG 31 -3.647 14.519 1.024
226 1HH1 ARG 31 2HH2 ARG 31 -1.808 15.746 -1.763
227 2HH1 ARG 31 1HH2 ARG 31 -2.588 17.395 -1.569
228 1HH2 ARG 31 1HH1 ARG 31 -4.473 16.434 1.149
229 2HH2 ARG 31 2HH1 ARG 31 -3.995 17.755 -0.031
230 H LYS 32 H LYS 32 -0.422 7.553 1.262
231 HA LYS 32 HA LYS 32 -0.271 6.448 -1.584
232 1HB LYS 32 1HB LYS 32 2.192 6.878 0.224
233 2HB LYS 32 2HB LYS 32 2.204 5.819 -1.173
234 1HG LYS 32 2HG LYS 32 1.550 8.817 -1.467
235 2HG LYS 32 1HG LYS 32 3.175 8.200 -1.366
236 1HD LYS 32 1HD LYS 32 2.817 8.480 -3.643
237 2HD LYS 32 2HD LYS 32 2.810 6.740 -3.397
238 1HE LYS 32 1HE LYS 32 0.314 6.675 -3.642
239 2HE LYS 32 2HE LYS 32 0.234 8.444 -3.677
240 1HZ LYS 32 3HZ LYS 32 1.608 6.744 -5.700
241 2HZ LYS 32 1HZ LYS 32 0.151 7.499 -5.893
242 3HZ LYS 32 2HZ LYS 32 1.531 8.394 -5.739
243 H CYS 33 H CYS 33 -0.905 4.466 -1.583
244 HA CYS 33 HA CYS 33 -1.534 2.853 0.721
245 1HB CYS 33 1HB CYS 33 -1.195 2.116 -2.251
246 2HB CYS 33 2HB CYS 33 -1.760 0.946 -1.050
247 H HIS 34 H HIS 34 -0.578 1.224 1.817
248 HA HIS 34 HA HIS 34 2.011 -0.045 0.758
249 1HB HIS 34 1HB HIS 34 1.460 0.766 3.680
250 2HB HIS 34 2HB HIS 34 2.606 -0.476 3.233
251 HD1 HIS 34 HD1 HIS 34 5.060 0.310 2.768
252 HD2 HIS 34 HD2 HIS 34 2.054 3.358 2.455
253 HE1 HIS 34 HE1 HIS 34 6.152 2.619 2.436
254 HE2 HIS 34 HE2 HIS 34 4.429 4.524 2.226
255 H CYS 35 H CYS 35 1.243 -1.827 -0.012
256 HA CYS 35 HA CYS 35 -0.944 -3.435 1.295
257 1HB CYS 35 1HB CYS 35 0.658 -3.885 -1.304
258 2HB CYS 35 2HB CYS 35 -0.632 -4.956 -0.713
259 H THR 36 H THR 36 -0.639 -5.368 2.333
260 HA THR 36 HA THR 36 2.150 -6.096 3.240
261 HB THR 36 HB THR 36 -0.564 -7.234 4.117
262 HG1 THR 36 HG1 THR 36 1.229 -5.396 5.317
263 1HG2 THR 36 3HG2 THR 36 2.230 -7.590 5.394
264 2HG2 THR 36 1HG2 THR 36 0.682 -8.118 6.104
265 3HG2 THR 36 2HG2 THR 36 1.273 -8.871 4.608
266 HA PRO 37 HA PRO 37 1.889 -8.816 -0.437
267 1HB PRO 37 1HB PRO 37 4.445 -9.917 -0.481
268 2HB PRO 37 2HB PRO 37 4.068 -8.239 -0.890
269 1HG PRO 37 2HG PRO 37 5.084 -9.319 1.784
270 2HG PRO 37 1HG PRO 37 5.697 -7.924 0.865
271 1HD PRO 37 1HD PRO 37 3.927 -7.631 2.974
272 2HD PRO 37 2HD PRO 37 3.862 -6.536 1.564
273 H LYS 38 H LYS 38 1.182 -10.774 -0.920
274 HA LYS 38 HA LYS 38 0.808 -12.823 1.255
275 1HB LYS 38 1HB LYS 38 -1.054 -12.047 -0.324
276 2HB LYS 38 2HB LYS 38 -0.246 -12.870 -1.644
277 1HG LYS 38 1HG LYS 38 -0.550 -15.078 -0.476
278 2HG LYS 38 2HG LYS 38 -1.126 -14.261 0.966
279 1HD LYS 38 1HD LYS 38 -3.046 -15.140 -0.049
280 2HD LYS 38 2HD LYS 38 -3.164 -13.414 -0.292
281 1HE LYS 38 1HE LYS 38 -2.138 -15.389 -2.464
282 2HE LYS 38 2HE LYS 38 -3.839 -14.996 -2.247
283 1HZ LYS 38 3HZ LYS 38 -3.342 -12.666 -2.704
284 2HZ LYS 38 1HZ LYS 38 -1.738 -13.005 -2.916
285 3HZ LYS 38 2HZ LYS 38 -2.859 -13.629 -3.956
No H/Q in entry = 285
Start of MODEL 4
Raw file had 289 H/Q atoms
Start of MODEL 4
1 1H GLY 1 3H GLY 1 6.332 -3.536 4.322
2 2H GLY 1 1H GLY 1 4.914 -3.675 5.158
3 3H GLY 1 2H GLY 1 5.123 -4.503 3.741
4 1HA GLY 1 2HA GLY 1 3.657 -2.553 3.438
5 2HA GLY 1 1HA GLY 1 4.970 -1.535 4.022
6 H VAL 2 H VAL 2 3.689 -3.180 1.331
7 HA VAL 2 HA VAL 2 6.141 -2.734 -0.430
8 HB VAL 2 HB VAL 2 3.562 -4.295 -1.035
9 1HG1 VAL 2 1HG2 VAL 2 6.119 -3.996 -2.758
10 2HG1 VAL 2 2HG2 VAL 2 4.762 -5.100 -3.098
11 3HG1 VAL 2 3HG2 VAL 2 4.510 -3.350 -3.156
12 1HG2 VAL 2 1HG1 VAL 2 6.429 -5.326 -0.466
13 2HG2 VAL 2 2HG1 VAL 2 5.018 -5.527 0.596
14 3HG2 VAL 2 3HG1 VAL 2 5.050 -6.326 -0.982
15 HA PRO 3 HA PRO 3 3.663 1.101 -1.293
16 1HB PRO 3 1HB PRO 3 5.542 2.577 -2.704
17 2HB PRO 3 2HB PRO 3 5.560 2.333 -0.955
18 1HG PRO 3 2HG PRO 3 7.156 0.799 -3.061
19 2HG PRO 3 1HG PRO 3 7.747 1.501 -1.537
20 1HD PRO 3 2HD PRO 3 7.102 -1.177 -1.768
21 2HD PRO 3 1HD PRO 3 6.820 -0.292 -0.235
22 H ILE 4 H ILE 4 2.036 0.669 -2.615
23 HA ILE 4 HA ILE 4 2.473 0.292 -5.622
24 HB ILE 4 HB ILE 4 0.158 -0.377 -5.856
25 1HG1 ILE 4 2HG1 ILE 4 -0.185 -0.469 -2.797
26 2HG1 ILE 4 1HG1 ILE 4 -0.813 0.804 -3.830
27 1HG2 ILE 4 2HG2 ILE 4 1.947 -2.104 -5.549
28 2HG2 ILE 4 3HG2 ILE 4 1.590 -2.179 -3.808
29 3HG2 ILE 4 1HG2 ILE 4 0.368 -2.683 -5.000
30 1HD1 ILE 4 2HD1 ILE 4 -2.260 -0.807 -5.086
31 2HD1 ILE 4 3HD1 ILE 4 -1.705 -2.129 -4.024
32 3HD1 ILE 4 1HD1 ILE 4 -2.615 -0.763 -3.345
33 H ASN 5 H ASN 5 1.547 1.701 -7.031
34 HA ASN 5 HA ASN 5 1.330 4.518 -6.064
35 1HB ASN 5 1HB ASN 5 1.392 5.239 -8.349
36 2HB ASN 5 2HB ASN 5 2.674 4.110 -7.994
37 1HD2 ASN 5 1HD2 ASN 5 0.398 3.245 -11.180
38 2HD2 ASN 5 2HD2 ASN 5 0.290 4.838 -10.267
39 H VAL 6 H VAL 6 -0.500 4.459 -4.833
40 HA VAL 6 HA VAL 6 -3.136 4.893 -6.279
41 HB VAL 6 HB VAL 6 -2.827 2.881 -3.956
42 1HG1 VAL 6 3HG2 VAL 6 -4.940 4.225 -3.647
43 2HG1 VAL 6 1HG2 VAL 6 -5.453 3.813 -5.302
44 3HG1 VAL 6 2HG2 VAL 6 -5.290 2.545 -4.056
45 1HG2 VAL 6 1HG1 VAL 6 -3.812 2.412 -6.847
46 2HG2 VAL 6 2HG1 VAL 6 -2.301 1.795 -6.131
47 3HG2 VAL 6 3HG1 VAL 6 -3.851 1.212 -5.528
48 H SER 7 H SER 7 -3.618 6.852 -5.654
49 HA SER 7 HA SER 7 -2.413 8.138 -3.248
50 1HB SER 7 1HB SER 7 -3.455 10.240 -4.017
51 2HB SER 7 2HB SER 7 -2.520 9.445 -5.282
52 HG SER 7 HG SER 7 -4.523 10.198 -6.015
53 H CYS 8 H CYS 8 -3.255 8.056 -1.323
54 HA CYS 8 HA CYS 8 -6.041 7.035 -0.853
55 1HB CYS 8 1HB CYS 8 -3.789 7.696 1.166
56 2HB CYS 8 2HB CYS 8 -5.304 6.880 1.559
57 H THR 9 H THR 9 -7.503 7.806 0.497
58 HA THR 9 HA THR 9 -7.247 10.514 1.848
59 HB THR 9 HB THR 9 -8.487 11.019 -0.203
60 HG1 THR 9 HG1 THR 9 -10.085 11.017 2.123
61 1HG2 THR 9 3HG2 THR 9 -10.723 9.092 0.713
62 2HG2 THR 9 1HG2 THR 9 -10.824 10.274 -0.611
63 3HG2 THR 9 2HG2 THR 9 -9.711 8.898 -0.739
64 H GLY 10 H GLY 10 -6.620 8.189 2.972
65 1HA GLY 10 1HA GLY 10 -7.446 7.654 5.457
66 2HA GLY 10 2HA GLY 10 -8.974 7.227 4.688
67 H SER 11 H SER 11 -7.600 5.431 6.170
68 HA SER 11 HA SER 11 -5.912 3.556 4.657
69 1HB SER 11 1HB SER 11 -7.486 3.090 7.255
70 2HB SER 11 2HB SER 11 -6.362 1.933 6.537
71 HG SER 11 HG SER 11 -4.751 3.533 6.618
72 HA PRO 12 HA PRO 12 -9.946 0.728 3.893
73 1HB PRO 12 1HB PRO 12 -11.869 3.046 3.307
74 2HB PRO 12 2HB PRO 12 -12.239 1.403 3.877
75 1HG PRO 12 2HG PRO 12 -12.185 3.436 5.666
76 2HG PRO 12 1HG PRO 12 -11.402 1.896 6.104
77 1HD PRO 12 1HD PRO 12 -10.068 4.463 5.086
78 2HD PRO 12 2HD PRO 12 -9.567 3.388 6.424
79 H GLN 13 H GLN 13 -9.132 3.636 2.112
80 HA GLN 13 HA GLN 13 -10.011 2.945 -0.575
81 1HB GLN 13 1HB GLN 13 -7.770 4.755 0.540
82 2HB GLN 13 2HB GLN 13 -7.948 4.529 -1.180
83 1HG GLN 13 2HG GLN 13 -9.010 6.605 -0.401
84 2HG GLN 13 1HG GLN 13 -10.059 5.566 -1.321
85 1HE2 GLN 13 1HE2 GLN 13 -11.084 6.212 2.623
86 2HE2 GLN 13 2HE2 GLN 13 -9.326 6.392 2.111
87 H CYS 14 H CYS 14 -6.950 2.061 1.059
88 HA CYS 14 HA CYS 14 -5.740 0.786 -1.339
89 1HB CYS 14 1HB CYS 14 -5.002 0.565 1.650
90 2HB CYS 14 2HB CYS 14 -3.969 0.090 0.286
91 H ILE 15 H ILE 15 -8.089 -0.517 0.910
92 HA ILE 15 HA ILE 15 -7.223 -3.233 1.156
93 HB ILE 15 HB ILE 15 -10.075 -2.105 1.123
94 1HG1 ILE 15 1HG1 ILE 15 -8.666 -1.027 2.863
95 2HG1 ILE 15 2HG1 ILE 15 -10.023 -1.899 3.497
96 1HG2 ILE 15 3HG2 ILE 15 -9.214 -4.853 2.202
97 2HG2 ILE 15 1HG2 ILE 15 -10.796 -4.086 2.493
98 3HG2 ILE 15 2HG2 ILE 15 -10.319 -4.528 0.848
99 1HD1 ILE 15 3HD1 ILE 15 -7.113 -2.954 3.534
100 2HD1 ILE 15 1HD1 ILE 15 -7.954 -2.184 4.898
101 3HD1 ILE 15 2HD1 ILE 15 -8.510 -3.760 4.291
102 H LYS 16 H LYS 16 -9.665 -2.123 -1.344
103 HA LYS 16 HA LYS 16 -9.570 -4.696 -2.734
104 1HB LYS 16 2HB LYS 16 -10.742 -1.976 -3.545
105 2HB LYS 16 1HB LYS 16 -10.809 -3.374 -4.573
106 1HG LYS 16 1HG LYS 16 -12.084 -3.109 -1.797
107 2HG LYS 16 2HG LYS 16 -12.912 -3.045 -3.335
108 1HD LYS 16 1HD LYS 16 -11.584 -5.510 -2.061
109 2HD LYS 16 2HD LYS 16 -13.296 -5.205 -2.193
110 1HE LYS 16 1HE LYS 16 -11.411 -5.732 -4.593
111 2HE LYS 16 2HE LYS 16 -12.442 -6.928 -3.819
112 1HZ LYS 16 2HZ LYS 16 -14.393 -5.620 -4.473
113 2HZ LYS 16 3HZ LYS 16 -13.437 -4.493 -5.213
114 3HZ LYS 16 1HZ LYS 16 -13.491 -6.039 -5.793
115 HA PRO 17 HA PRO 17 -6.461 -2.679 -6.025
116 1HB PRO 17 1HB PRO 17 -5.033 -0.809 -4.057
117 2HB PRO 17 2HB PRO 17 -5.170 -0.686 -5.825
118 1HG PRO 17 2HG PRO 17 -6.797 0.823 -4.257
119 2HG PRO 17 1HG PRO 17 -7.486 0.016 -5.684
120 1HD PRO 17 2HD PRO 17 -7.662 -0.856 -2.755
121 2HD PRO 17 1HD PRO 17 -8.932 -0.845 -4.010
122 H CYS 18 H CYS 18 -5.372 -2.981 -2.607
123 HA CYS 18 HA CYS 18 -2.941 -4.559 -3.092
124 1HB CYS 18 1HB CYS 18 -4.795 -4.359 -0.630
125 2HB CYS 18 2HB CYS 18 -3.304 -5.298 -0.644
126 H LYS 19 H LYS 19 -6.264 -5.682 -2.215
127 HA LYS 19 HA LYS 19 -5.810 -8.531 -2.478
128 1HB LYS 19 1HB LYS 19 -7.769 -7.365 -1.361
129 2HB LYS 19 2HB LYS 19 -8.399 -6.910 -2.936
130 1HG LYS 19 2HG LYS 19 -8.660 -9.383 -3.505
131 2HG LYS 19 1HG LYS 19 -8.042 -9.800 -1.905
132 1HD LYS 19 1HD LYS 19 -9.962 -8.547 -0.835
133 2HD LYS 19 2HD LYS 19 -10.555 -8.074 -2.431
134 1HE LYS 19 1HE LYS 19 -10.898 -10.523 -3.033
135 2HE LYS 19 2HE LYS 19 -10.321 -10.996 -1.427
136 1HZ LYS 19 2HZ LYS 19 -12.709 -9.288 -1.953
137 2HZ LYS 19 3HZ LYS 19 -12.736 -10.881 -1.514
138 3HZ LYS 19 1HZ LYS 19 -12.176 -9.741 -0.457
139 H ASP 20 H ASP 20 -7.075 -6.295 -4.982
140 HA ASP 20 HA ASP 20 -7.322 -8.213 -7.144
141 1HB ASP 20 1HB ASP 20 -8.324 -5.861 -7.015
142 2HB ASP 20 2HB ASP 20 -6.741 -5.182 -7.345
143 H ALA 21 H ALA 21 -4.433 -6.290 -6.209
144 HA ALA 21 HA ALA 21 -2.693 -7.202 -8.429
145 1HB ALA 21 2HB ALA 21 -2.156 -5.163 -7.087
146 2HB ALA 21 3HB ALA 21 -1.939 -6.146 -5.619
147 3HB ALA 21 1HB ALA 21 -0.826 -6.335 -6.991
148 H GLY 22 H GLY 22 -3.028 -8.340 -5.049
149 1HA GLY 22 2HA GLY 22 -3.063 -11.003 -4.975
150 2HA GLY 22 1HA GLY 22 -1.453 -10.905 -5.681
151 H MET 23 H MET 23 -3.190 -9.218 -3.053
152 HA MET 23 HA MET 23 -0.976 -9.888 -1.054
153 1HB MET 23 1HB MET 23 -2.109 -7.044 -1.405
154 2HB MET 23 2HB MET 23 -0.825 -7.552 -0.323
155 1HG MET 23 1HG MET 23 -0.592 -7.463 -3.396
156 2HG MET 23 2HG MET 23 0.033 -6.268 -2.270
157 1HE MET 23 1HE MET 23 2.008 -7.409 -4.323
158 2HE MET 23 3HE MET 23 2.514 -6.347 -2.971
159 3HE MET 23 2HE MET 23 3.409 -7.859 -3.303
160 H ARG 24 H ARG 24 -1.586 -9.358 1.164
161 HA ARG 24 HA ARG 24 -4.347 -10.390 1.753
162 1HB ARG 24 1HB ARG 24 -2.337 -11.419 2.773
163 2HB ARG 24 2HB ARG 24 -1.900 -9.913 3.556
164 1HG ARG 24 1HG ARG 24 -3.958 -10.008 4.965
165 2HG ARG 24 2HG ARG 24 -4.515 -11.421 4.079
166 1HD ARG 24 2HD ARG 24 -3.586 -12.099 6.245
167 2HD ARG 24 1HD ARG 24 -2.623 -12.798 4.938
168 HE ARG 24 HE ARG 24 -1.193 -10.437 5.541
169 1HH1 ARG 24 2HH2 ARG 24 -2.248 -13.209 7.501
170 2HH1 ARG 24 1HH2 ARG 24 -0.800 -12.994 8.606
171 1HH2 ARG 24 1HH1 ARG 24 0.399 -10.269 6.875
172 2HH2 ARG 24 2HH1 ARG 24 0.597 -11.439 8.274
173 H PHE 25 H PHE 25 -2.506 -7.774 3.459
174 HA PHE 25 HA PHE 25 -5.148 -6.316 3.864
175 1HB PHE 25 1HB PHE 25 -2.470 -5.705 5.251
176 2HB PHE 25 2HB PHE 25 -4.034 -5.057 5.650
177 HD1 PHE 25 HD2 PHE 25 -5.947 -7.122 6.040
178 HD2 PHE 25 HD1 PHE 25 -1.729 -7.262 6.893
179 HE1 PHE 25 HE2 PHE 25 -6.328 -8.883 7.714
180 HE2 PHE 25 HE1 PHE 25 -2.134 -9.013 8.563
181 HZ PHE 25 HZ PHE 25 -4.427 -9.836 8.974
182 H GLY 26 H GLY 26 -5.138 -4.046 3.835
183 1HA GLY 26 1HA GLY 26 -3.222 -2.620 1.885
184 2HA GLY 26 2HA GLY 26 -4.960 -2.453 1.675
185 H LYS 27 H LYS 27 -2.224 -1.642 3.638
186 HA LYS 27 HA LYS 27 -3.917 0.116 5.525
187 1HB LYS 27 1HB LYS 27 -1.149 -1.167 5.977
188 2HB LYS 27 2HB LYS 27 -1.890 0.005 7.056
189 1HG LYS 27 1HG LYS 27 -3.832 -1.514 7.463
190 2HG LYS 27 2HG LYS 27 -3.158 -2.736 6.399
191 1HD LYS 27 1HD LYS 27 -1.748 -1.732 8.970
192 2HD LYS 27 2HD LYS 27 -2.862 -3.076 8.903
193 1HE LYS 27 1HE LYS 27 -0.772 -4.139 8.869
194 2HE LYS 27 2HE LYS 27 -1.323 -4.256 7.202
195 1HZ LYS 27 2HZ LYS 27 0.632 -2.252 8.248
196 2HZ LYS 27 3HZ LYS 27 1.003 -3.591 7.355
197 3HZ LYS 27 1HZ LYS 27 0.143 -2.358 6.673
198 H CYS 28 H CYS 28 -3.779 2.179 5.024
199 HA CYS 28 HA CYS 28 -1.672 3.077 3.074
200 1HB CYS 28 1HB CYS 28 -4.213 3.468 2.722
201 2HB CYS 28 2HB CYS 28 -4.045 4.835 3.836
202 H MET 29 H MET 29 -0.092 4.349 3.492
203 HA MET 29 HA MET 29 0.213 5.933 6.084
204 1HB MET 29 1HB MET 29 2.161 5.467 3.724
205 2HB MET 29 2HB MET 29 2.516 6.460 5.125
206 1HG MET 29 1HG MET 29 2.258 4.477 6.672
207 2HG MET 29 2HG MET 29 1.960 3.443 5.265
208 1HE MET 29 2HE MET 29 4.614 5.090 7.541
209 2HE MET 29 1HE MET 29 6.044 5.301 6.487
210 3HE MET 29 3HE MET 29 4.627 6.374 6.293
211 H ASN 30 H ASN 30 1.584 8.182 5.049
212 HA ASN 30 HA ASN 30 -0.737 9.934 4.691
213 1HB ASN 30 1HB ASN 30 2.270 10.578 4.464
214 2HB ASN 30 2HB ASN 30 1.006 11.790 4.379
215 1HD2 ASN 30 1HD2 ASN 30 0.427 11.784 7.940
216 2HD2 ASN 30 2HD2 ASN 30 -0.245 12.275 6.298
217 H ARG 31 H ARG 31 -1.842 9.683 2.950
218 HA ARG 31 HA ARG 31 -2.622 9.628 0.754
219 1HB ARG 31 1HB ARG 31 -0.227 11.454 0.107
220 2HB ARG 31 2HB ARG 31 -1.559 11.109 -0.990
221 1HG ARG 31 1HG ARG 31 -3.216 12.080 0.618
222 2HG ARG 31 2HG ARG 31 -1.906 12.481 1.735
223 1HD ARG 31 1HD ARG 31 -0.835 13.953 -0.028
224 2HD ARG 31 2HD ARG 31 -2.149 13.559 -1.154
225 HE ARG 31 HE ARG 31 -3.388 14.577 1.270
226 1HH1 ARG 31 2HH2 ARG 31 -1.322 15.807 -1.352
227 2HH1 ARG 31 1HH2 ARG 31 -2.005 17.495 -1.116
228 1HH2 ARG 31 1HH1 ARG 31 -4.093 16.535 1.449
229 2HH2 ARG 31 2HH1 ARG 31 -3.467 17.876 0.363
230 H LYS 32 H LYS 32 -0.455 7.504 1.518
231 HA LYS 32 HA LYS 32 0.020 6.500 -1.354
232 1HB LYS 32 1HB LYS 32 2.180 6.695 0.861
233 2HB LYS 32 2HB LYS 32 2.360 5.792 -0.643
234 1HG LYS 32 2HG LYS 32 2.094 7.898 -1.986
235 2HG LYS 32 1HG LYS 32 1.928 8.830 -0.497
236 1HD LYS 32 1HD LYS 32 4.246 8.016 0.243
237 2HD LYS 32 2HD LYS 32 4.389 7.149 -1.279
238 1HE LYS 32 1HE LYS 32 5.623 9.185 -1.561
239 2HE LYS 32 2HE LYS 32 4.175 9.365 -2.548
240 1HZ LYS 32 1HZ LYS 32 4.565 10.529 0.176
241 2HZ LYS 32 2HZ LYS 32 4.644 11.359 -1.250
242 3HZ LYS 32 3HZ LYS 32 3.207 10.720 -0.744
243 H CYS 33 H CYS 33 -0.753 4.535 -1.507
244 HA CYS 33 HA CYS 33 -1.532 2.800 0.707
245 1HB CYS 33 1HB CYS 33 -1.238 2.316 -2.319
246 2HB CYS 33 2HB CYS 33 -1.794 1.040 -1.220
247 H HIS 34 H HIS 34 -0.521 1.230 1.812
248 HA HIS 34 HA HIS 34 2.020 -0.079 0.679
249 1HB HIS 34 1HB HIS 34 1.550 0.919 3.556
250 2HB HIS 34 2HB HIS 34 2.694 -0.350 3.188
251 HD1 HIS 34 HD1 HIS 34 5.073 0.301 2.142
252 HD2 HIS 34 HD2 HIS 34 2.166 3.448 2.398
253 HE1 HIS 34 HE1 HIS 34 6.161 2.573 1.607
254 HE2 HIS 34 HE2 HIS 34 4.496 4.538 1.727
255 H CYS 35 H CYS 35 1.362 -1.990 0.114
256 HA CYS 35 HA CYS 35 -0.848 -3.483 1.471
257 1HB CYS 35 1HB CYS 35 1.014 -4.384 -0.825
258 2HB CYS 35 2HB CYS 35 -0.467 -5.192 -0.276
259 H THR 36 H THR 36 -0.661 -5.543 2.408
260 HA THR 36 HA THR 36 2.090 -6.361 3.521
261 HB THR 36 HB THR 36 -0.662 -6.972 4.725
262 HG1 THR 36 HG1 THR 36 1.456 -5.292 5.571
263 1HG2 THR 36 3HG2 THR 36 2.168 -7.589 5.806
264 2HG2 THR 36 1HG2 THR 36 0.640 -7.814 6.695
265 3HG2 THR 36 2HG2 THR 36 0.975 -8.797 5.256
266 HA PRO 37 HA PRO 37 1.061 -9.421 0.174
267 1HB PRO 37 1HB PRO 37 3.645 -10.715 1.239
268 2HB PRO 37 2HB PRO 37 3.125 -10.491 -0.448
269 1HG PRO 37 1HG PRO 37 4.917 -8.764 0.622
270 2HG PRO 37 2HG PRO 37 3.579 -8.112 -0.357
271 1HD PRO 37 1HD PRO 37 3.806 -8.180 2.702
272 2HD PRO 37 2HD PRO 37 3.232 -6.869 1.628
273 H LYS 38 H LYS 38 0.268 -11.460 -0.087
274 HA LYS 38 HA LYS 38 -0.614 -12.939 2.396
275 1HB LYS 38 1HB LYS 38 -2.094 -14.246 0.972
276 2HB LYS 38 2HB LYS 38 -2.365 -12.531 0.813
277 1HG LYS 38 1HG LYS 38 -1.241 -12.494 -1.429
278 2HG LYS 38 2HG LYS 38 -0.829 -14.193 -1.269
279 1HD LYS 38 1HD LYS 38 -2.718 -14.079 -2.714
280 2HD LYS 38 2HD LYS 38 -3.260 -14.823 -1.216
281 1HE LYS 38 1HE LYS 38 -4.303 -12.595 -0.507
282 2HE LYS 38 2HE LYS 38 -3.729 -11.862 -2.009
283 1HZ LYS 38 2HZ LYS 38 -5.093 -13.460 -3.246
284 2HZ LYS 38 3HZ LYS 38 -5.639 -14.138 -1.842
285 3HZ LYS 38 1HZ LYS 38 -6.019 -12.572 -2.205
No H/Q in entry = 285
Start of MODEL 5
Raw file had 289 H/Q atoms
Start of MODEL 5
1 1H GLY 1 1H GLY 1 3.005 -1.995 4.236
2 2H GLY 1 2H GLY 1 2.367 -3.165 3.259
3 3H GLY 1 3H GLY 1 2.565 -3.453 4.875
4 1HA GLY 1 2HA GLY 1 4.972 -3.365 4.693
5 2HA GLY 1 1HA GLY 1 4.294 -4.627 3.670
6 H VAL 2 H VAL 2 4.566 -4.456 1.486
7 HA VAL 2 HA VAL 2 6.646 -2.642 0.488
8 HB VAL 2 HB VAL 2 6.422 -3.735 -1.730
9 1HG1 VAL 2 3HG2 VAL 2 8.003 -4.606 -0.021
10 2HG1 VAL 2 1HG2 VAL 2 6.752 -5.699 0.620
11 3HG1 VAL 2 2HG2 VAL 2 7.371 -5.915 -1.037
12 1HG2 VAL 2 2HG1 VAL 2 4.008 -4.413 -1.790
13 2HG2 VAL 2 3HG1 VAL 2 5.071 -5.807 -2.039
14 3HG2 VAL 2 1HG1 VAL 2 4.276 -5.569 -0.468
15 HA PRO 3 HA PRO 3 3.848 0.704 -0.841
16 1HB PRO 3 1HB PRO 3 6.045 1.504 -2.813
17 2HB PRO 3 2HB PRO 3 5.211 2.485 -1.596
18 1HG PRO 3 1HG PRO 3 7.762 1.562 -1.196
19 2HG PRO 3 2HG PRO 3 6.615 1.653 0.153
20 1HD PRO 3 1HD PRO 3 7.462 -0.821 -1.416
21 2HD PRO 3 2HD PRO 3 7.136 -0.606 0.332
22 H ILE 4 H ILE 4 2.343 1.099 -2.335
23 HA ILE 4 HA ILE 4 2.725 0.310 -5.243
24 HB ILE 4 HB ILE 4 0.468 -0.384 -5.631
25 1HG1 ILE 4 2HG1 ILE 4 -0.177 -0.550 -2.630
26 2HG1 ILE 4 1HG1 ILE 4 -0.645 0.797 -3.649
27 1HG2 ILE 4 2HG2 ILE 4 2.199 -2.130 -5.185
28 2HG2 ILE 4 3HG2 ILE 4 1.696 -2.210 -3.479
29 3HG2 ILE 4 1HG2 ILE 4 0.571 -2.694 -4.770
30 1HD1 ILE 4 2HD1 ILE 4 -2.011 -0.645 -5.141
31 2HD1 ILE 4 3HD1 ILE 4 -1.612 -2.072 -4.152
32 3HD1 ILE 4 1HD1 ILE 4 -2.541 -0.729 -3.446
33 H ASN 5 H ASN 5 1.911 1.783 -6.666
34 HA ASN 5 HA ASN 5 1.568 4.542 -5.559
35 1HB ASN 5 1HB ASN 5 1.834 5.387 -7.802
36 2HB ASN 5 2HB ASN 5 3.126 4.314 -7.324
37 1HD2 ASN 5 1HD2 ASN 5 2.545 2.056 -10.082
38 2HD2 ASN 5 2HD2 ASN 5 3.390 2.287 -8.464
39 H VAL 6 H VAL 6 -0.374 4.484 -4.559
40 HA VAL 6 HA VAL 6 -2.831 4.929 -6.290
41 HB VAL 6 HB VAL 6 -2.788 2.890 -3.969
42 1HG1 VAL 6 3HG2 VAL 6 -4.903 4.235 -3.829
43 2HG1 VAL 6 1HG2 VAL 6 -5.253 3.895 -5.543
44 3HG1 VAL 6 2HG2 VAL 6 -5.238 2.580 -4.339
45 1HG2 VAL 6 1HG1 VAL 6 -3.480 2.479 -6.952
46 2HG2 VAL 6 2HG1 VAL 6 -2.059 1.829 -6.096
47 3HG2 VAL 6 3HG1 VAL 6 -3.673 1.257 -5.669
48 H SER 7 H SER 7 -3.508 6.848 -5.693
49 HA SER 7 HA SER 7 -2.484 8.214 -3.271
50 1HB SER 7 1HB SER 7 -3.601 10.243 -4.103
51 2HB SER 7 2HB SER 7 -2.609 9.468 -5.337
52 HG SER 7 HG SER 7 -5.426 9.218 -5.056
53 H CYS 8 H CYS 8 -3.364 8.156 -1.357
54 HA CYS 8 HA CYS 8 -6.213 7.199 -0.934
55 1HB CYS 8 1HB CYS 8 -3.950 7.638 1.136
56 2HB CYS 8 2HB CYS 8 -5.495 6.852 1.442
57 H THR 9 H THR 9 -7.561 7.983 0.532
58 HA THR 9 HA THR 9 -7.277 10.833 1.614
59 HB THR 9 HB THR 9 -9.208 10.690 0.119
60 HG1 THR 9 HG1 THR 9 -10.626 11.566 1.618
61 1HG2 THR 9 3HG2 THR 9 -10.519 8.706 2.092
62 2HG2 THR 9 1HG2 THR 9 -11.323 9.552 0.750
63 3HG2 THR 9 2HG2 THR 9 -10.061 8.355 0.404
64 H GLY 10 H GLY 10 -8.093 7.447 2.396
65 1HA GLY 10 2HA GLY 10 -6.895 7.785 5.125
66 2HA GLY 10 1HA GLY 10 -8.584 7.253 5.152
67 H SER 11 H SER 11 -7.544 5.393 6.200
68 HA SER 11 HA SER 11 -5.847 3.473 4.732
69 1HB SER 11 1HB SER 11 -7.488 3.045 7.294
70 2HB SER 11 2HB SER 11 -6.387 1.859 6.591
71 HG SER 11 HG SER 11 -4.729 3.411 6.712
72 HA PRO 12 HA PRO 12 -9.955 0.808 3.855
73 1HB PRO 12 1HB PRO 12 -11.790 3.196 3.269
74 2HB PRO 12 2HB PRO 12 -12.226 1.559 3.805
75 1HG PRO 12 1HG PRO 12 -12.134 3.555 5.631
76 2HG PRO 12 2HG PRO 12 -11.409 1.983 6.053
77 1HD PRO 12 2HD PRO 12 -9.977 4.526 5.104
78 2HD PRO 12 1HD PRO 12 -9.531 3.409 6.427
79 H GLN 13 H GLN 13 -8.971 3.688 2.075
80 HA GLN 13 HA GLN 13 -9.907 3.006 -0.594
81 1HB GLN 13 1HB GLN 13 -7.363 4.560 0.229
82 2HB GLN 13 2HB GLN 13 -7.982 4.478 -1.411
83 1HG GLN 13 1HG GLN 13 -9.477 5.739 0.961
84 2HG GLN 13 2HG GLN 13 -8.539 6.597 -0.235
85 1HE2 GLN 13 1HE2 GLN 13 -11.189 6.470 -2.698
86 2HE2 GLN 13 2HE2 GLN 13 -9.399 6.795 -2.412
87 H CYS 14 H CYS 14 -6.853 2.011 0.990
88 HA CYS 14 HA CYS 14 -5.749 0.684 -1.418
89 1HB CYS 14 1HB CYS 14 -4.931 0.403 1.542
90 2HB CYS 14 2HB CYS 14 -3.936 -0.014 0.130
91 H ILE 15 H ILE 15 -8.106 -0.552 0.842
92 HA ILE 15 HA ILE 15 -7.313 -3.298 1.078
93 HB ILE 15 HB ILE 15 -10.148 -2.121 1.059
94 1HG1 ILE 15 1HG1 ILE 15 -8.755 -0.988 2.760
95 2HG1 ILE 15 2HG1 ILE 15 -10.086 -1.869 3.434
96 1HG2 ILE 15 3HG2 ILE 15 -9.276 -4.837 2.214
97 2HG2 ILE 15 1HG2 ILE 15 -10.860 -4.067 2.481
98 3HG2 ILE 15 2HG2 ILE 15 -10.382 -4.558 0.851
99 1HD1 ILE 15 3HD1 ILE 15 -7.154 -2.858 3.458
100 2HD1 ILE 15 1HD1 ILE 15 -7.999 -2.082 4.816
101 3HD1 ILE 15 2HD1 ILE 15 -8.521 -3.684 4.245
102 H LYS 16 H LYS 16 -9.657 -2.036 -1.403
103 HA LYS 16 HA LYS 16 -9.746 -4.603 -2.836
104 1HB LYS 16 2HB LYS 16 -11.588 -2.985 -2.884
105 2HB LYS 16 1HB LYS 16 -10.682 -1.845 -3.834
106 1HG LYS 16 1HG LYS 16 -11.276 -4.730 -4.783
107 2HG LYS 16 2HG LYS 16 -12.434 -3.423 -4.957
108 1HD LYS 16 1HD LYS 16 -10.833 -2.109 -6.371
109 2HD LYS 16 2HD LYS 16 -9.628 -3.388 -6.235
110 1HE LYS 16 1HE LYS 16 -11.198 -5.028 -7.349
111 2HE LYS 16 2HE LYS 16 -12.422 -3.758 -7.500
112 1HZ LYS 16 1HZ LYS 16 -10.850 -2.492 -8.875
113 2HZ LYS 16 2HZ LYS 16 -9.710 -3.678 -8.734
114 3HZ LYS 16 3HZ LYS 16 -11.127 -3.986 -9.525
115 HA PRO 17 HA PRO 17 -6.351 -2.726 -6.004
116 1HB PRO 17 1HB PRO 17 -4.963 -0.970 -3.898
117 2HB PRO 17 2HB PRO 17 -4.942 -0.814 -5.669
118 1HG PRO 17 2HG PRO 17 -6.609 0.757 -4.210
119 2HG PRO 17 1HG PRO 17 -7.219 0.013 -5.707
120 1HD PRO 17 2HD PRO 17 -7.714 -0.862 -2.824
121 2HD PRO 17 1HD PRO 17 -8.843 -0.807 -4.205
122 H CYS 18 H CYS 18 -5.476 -3.179 -2.548
123 HA CYS 18 HA CYS 18 -3.044 -4.771 -2.989
124 1HB CYS 18 1HB CYS 18 -4.943 -4.667 -0.557
125 2HB CYS 18 2HB CYS 18 -3.377 -5.488 -0.581
126 H LYS 19 H LYS 19 -6.380 -5.900 -2.137
127 HA LYS 19 HA LYS 19 -5.846 -8.742 -2.488
128 1HB LYS 19 2HB LYS 19 -7.775 -7.668 -1.220
129 2HB LYS 19 1HB LYS 19 -8.532 -7.236 -2.744
130 1HG LYS 19 2HG LYS 19 -8.711 -9.699 -3.333
131 2HG LYS 19 1HG LYS 19 -7.890 -10.115 -1.829
132 1HD LYS 19 1HD LYS 19 -9.788 -9.028 -0.509
133 2HD LYS 19 2HD LYS 19 -10.570 -8.597 -2.023
134 1HE LYS 19 1HE LYS 19 -11.705 -10.553 -1.227
135 2HE LYS 19 2HE LYS 19 -10.770 -11.072 -2.627
136 1HZ LYS 19 1HZ LYS 19 -9.977 -11.462 0.228
137 2HZ LYS 19 2HZ LYS 19 -10.569 -12.628 -0.783
138 3HZ LYS 19 3HZ LYS 19 -9.087 -11.959 -1.072
139 H ASP 20 H ASP 20 -7.271 -6.437 -4.828
140 HA ASP 20 HA ASP 20 -7.624 -8.228 -7.072
141 1HB ASP 20 1HB ASP 20 -8.551 -5.861 -6.801
142 2HB ASP 20 2HB ASP 20 -6.962 -5.207 -7.146
143 H ALA 21 H ALA 21 -4.654 -6.390 -6.182
144 HA ALA 21 HA ALA 21 -3.006 -7.347 -8.459
145 1HB ALA 21 2HB ALA 21 -2.363 -5.318 -7.149
146 2HB ALA 21 3HB ALA 21 -2.132 -6.297 -5.679
147 3HB ALA 21 1HB ALA 21 -1.069 -6.530 -7.085
148 H GLY 22 H GLY 22 -3.306 -8.471 -5.069
149 1HA GLY 22 1HA GLY 22 -3.480 -11.090 -4.928
150 2HA GLY 22 2HA GLY 22 -1.939 -11.142 -5.776
151 H MET 23 H MET 23 -3.275 -9.286 -3.019
152 HA MET 23 HA MET 23 -0.950 -10.127 -1.231
153 1HB MET 23 1HB MET 23 -1.709 -7.186 -1.825
154 2HB MET 23 2HB MET 23 -0.595 -7.712 -0.579
155 1HG MET 23 1HG MET 23 0.843 -8.851 -2.402
156 2HG MET 23 2HG MET 23 -0.169 -8.019 -3.599
157 1HE MET 23 3HE MET 23 1.996 -6.949 -4.580
158 2HE MET 23 2HE MET 23 3.094 -5.861 -3.682
159 3HE MET 23 1HE MET 23 3.085 -7.613 -3.317
160 H ARG 24 H ARG 24 -1.249 -9.197 1.000
161 HA ARG 24 HA ARG 24 -3.748 -10.541 1.957
162 1HB ARG 24 1HB ARG 24 -1.460 -9.389 3.663
163 2HB ARG 24 2HB ARG 24 -2.785 -10.393 4.230
164 1HG ARG 24 2HG ARG 24 -1.947 -12.286 2.731
165 2HG ARG 24 1HG ARG 24 -0.585 -11.257 2.273
166 1HD ARG 24 2HD ARG 24 0.083 -11.082 4.732
167 2HD ARG 24 1HD ARG 24 -1.206 -12.198 5.160
168 HE ARG 24 HE ARG 24 1.404 -12.850 3.799
169 1HH1 ARG 24 2HH2 ARG 24 -1.833 -14.122 4.545
170 2HH1 ARG 24 1HH2 ARG 24 -1.241 -15.832 4.249
171 1HH2 ARG 24 1HH1 ARG 24 1.965 -14.830 3.488
172 2HH2 ARG 24 2HH1 ARG 24 0.766 -16.204 3.692
173 H PHE 25 H PHE 25 -2.252 -7.410 2.955
174 HA PHE 25 HA PHE 25 -5.062 -6.360 3.637
175 1HB PHE 25 1HB PHE 25 -2.446 -5.782 5.180
176 2HB PHE 25 2HB PHE 25 -4.026 -5.159 5.564
177 HD1 PHE 25 HD2 PHE 25 -5.930 -6.807 6.239
178 HD2 PHE 25 HD1 PHE 25 -1.788 -7.964 6.088
179 HE1 PHE 25 HE2 PHE 25 -6.409 -8.755 7.667
180 HE2 PHE 25 HE1 PHE 25 -2.285 -9.904 7.511
181 HZ PHE 25 HZ PHE 25 -4.592 -10.306 8.303
182 H GLY 26 H GLY 26 -5.176 -4.068 3.821
183 1HA GLY 26 2HA GLY 26 -3.414 -2.473 1.839
184 2HA GLY 26 1HA GLY 26 -5.162 -2.330 1.832
185 H LYS 27 H LYS 27 -2.239 -1.619 3.560
186 HA LYS 27 HA LYS 27 -3.746 0.139 5.594
187 1HB LYS 27 1HB LYS 27 -0.905 -1.030 5.821
188 2HB LYS 27 2HB LYS 27 -1.655 0.049 6.972
189 1HG LYS 27 1HG LYS 27 -2.508 -2.826 6.322
190 2HG LYS 27 2HG LYS 27 -1.687 -2.284 7.766
191 1HD LYS 27 1HD LYS 27 -4.601 -1.577 6.991
192 2HD LYS 27 2HD LYS 27 -4.090 -2.827 8.095
193 1HE LYS 27 1HE LYS 27 -4.758 -1.114 9.547
194 2HE LYS 27 2HE LYS 27 -3.002 -1.011 9.596
195 1HZ LYS 27 3HZ LYS 27 -4.805 0.745 7.986
196 2HZ LYS 27 1HZ LYS 27 -4.030 1.168 9.382
197 3HZ LYS 27 2HZ LYS 27 -3.157 0.865 8.013
198 H CYS 28 H CYS 28 -3.748 2.175 4.977
199 HA CYS 28 HA CYS 28 -1.674 3.155 3.001
200 1HB CYS 28 1HB CYS 28 -4.271 3.392 2.634
201 2HB CYS 28 2HB CYS 28 -4.141 4.812 3.676
202 H MET 29 H MET 29 -0.148 4.473 3.512
203 HA MET 29 HA MET 29 -0.069 6.088 6.101
204 1HB MET 29 1HB MET 29 2.040 5.707 3.872
205 2HB MET 29 2HB MET 29 2.266 6.705 5.300
206 1HG MET 29 1HG MET 29 2.006 4.720 6.818
207 2HG MET 29 2HG MET 29 1.820 3.669 5.398
208 1HE MET 29 1HE MET 29 4.033 2.766 7.244
209 2HE MET 29 3HE MET 29 3.880 2.115 5.581
210 3HE MET 29 2HE MET 29 5.472 2.659 6.185
211 H ASN 30 H ASN 30 1.262 8.390 5.145
212 HA ASN 30 HA ASN 30 -1.110 10.034 4.661
213 1HB ASN 30 1HB ASN 30 1.871 10.832 4.574
214 2HB ASN 30 2HB ASN 30 0.543 11.968 4.448
215 1HD2 ASN 30 1HD2 ASN 30 1.549 10.845 8.177
216 2HD2 ASN 30 2HD2 ASN 30 2.502 10.307 6.696
217 H ARG 31 H ARG 31 -2.112 9.752 2.873
218 HA ARG 31 HA ARG 31 -2.787 9.711 0.649
219 1HB ARG 31 1HB ARG 31 -0.381 11.544 0.082
220 2HB ARG 31 2HB ARG 31 -1.695 11.218 -1.038
221 1HG ARG 31 1HG ARG 31 -3.365 12.190 0.552
222 2HG ARG 31 2HG ARG 31 -2.082 12.607 1.678
223 1HD ARG 31 1HD ARG 31 -2.341 13.684 -1.220
224 2HD ARG 31 2HD ARG 31 -2.866 14.515 0.224
225 HE ARG 31 HE ARG 31 -0.557 14.908 0.957
226 1HH1 ARG 31 2HH2 ARG 31 -0.690 13.383 -2.256
227 2HH1 ARG 31 1HH2 ARG 31 1.039 13.905 -2.584
228 1HH2 ARG 31 1HH1 ARG 31 1.394 15.443 0.473
229 2HH2 ARG 31 2HH1 ARG 31 2.135 14.991 -1.143
230 H LYS 32 H LYS 32 -0.552 7.631 1.479
231 HA LYS 32 HA LYS 32 -0.087 6.624 -1.386
232 1HB LYS 32 1HB LYS 32 2.130 6.937 0.748
233 2HB LYS 32 2HB LYS 32 2.302 5.987 -0.714
234 1HG LYS 32 1HG LYS 32 1.870 9.020 -0.604
235 2HG LYS 32 2HG LYS 32 3.384 8.199 -0.893
236 1HD LYS 32 1HD LYS 32 0.946 8.181 -2.782
237 2HD LYS 32 2HD LYS 32 2.403 9.143 -2.959
238 1HE LYS 32 1HE LYS 32 3.781 7.004 -3.214
239 2HE LYS 32 2HE LYS 32 2.293 6.052 -3.099
240 1HZ LYS 32 3HZ LYS 32 1.461 7.213 -5.074
241 2HZ LYS 32 1HZ LYS 32 2.849 8.100 -5.188
242 3HZ LYS 32 2HZ LYS 32 2.896 6.462 -5.398
243 H CYS 33 H CYS 33 -0.788 4.666 -1.532
244 HA CYS 33 HA CYS 33 -1.513 2.900 0.662
245 1HB CYS 33 1HB CYS 33 -1.213 2.462 -2.366
246 2HB CYS 33 2HB CYS 33 -1.695 1.137 -1.293
247 H HIS 34 H HIS 34 -0.578 1.213 1.649
248 HA HIS 34 HA HIS 34 2.004 -0.017 0.533
249 1HB HIS 34 1HB HIS 34 1.508 0.653 3.506
250 2HB HIS 34 2HB HIS 34 2.774 -0.402 2.911
251 HD1 HIS 34 HD1 HIS 34 5.021 0.728 1.935
252 HD2 HIS 34 HD2 HIS 34 1.746 3.365 2.795
253 HE1 HIS 34 HE1 HIS 34 5.777 3.189 1.774
254 HE2 HIS 34 HE2 HIS 34 3.878 4.859 2.252
255 H CYS 35 H CYS 35 1.308 -1.870 -0.160
256 HA CYS 35 HA CYS 35 -0.876 -3.460 1.173
257 1HB CYS 35 1HB CYS 35 0.795 -4.030 -1.359
258 2HB CYS 35 2HB CYS 35 -0.518 -5.062 -0.750
259 H THR 36 H THR 36 -0.564 -5.342 2.307
260 HA THR 36 HA THR 36 2.222 -6.032 3.266
261 HB THR 36 HB THR 36 -0.507 -7.149 4.138
262 HG1 THR 36 HG1 THR 36 -0.078 -5.867 5.942
263 1HG2 THR 36 3HG2 THR 36 2.273 -7.502 5.450
264 2HG2 THR 36 1HG2 THR 36 0.715 -8.006 6.152
265 3HG2 THR 36 2HG2 THR 36 1.315 -8.795 4.679
266 HA PRO 37 HA PRO 37 1.978 -8.821 -0.367
267 1HB PRO 37 1HB PRO 37 4.532 -9.945 -0.369
268 2HB PRO 37 2HB PRO 37 4.165 -8.277 -0.822
269 1HG PRO 37 2HG PRO 37 5.157 -9.294 1.886
270 2HG PRO 37 1HG PRO 37 5.784 -7.926 0.937
271 1HD PRO 37 1HD PRO 37 4.007 -7.562 3.024
272 2HD PRO 37 2HD PRO 37 3.948 -6.510 1.581
273 H LYS 38 H LYS 38 1.403 -10.824 -0.893
274 HA LYS 38 HA LYS 38 1.086 -12.908 1.314
275 1HB LYS 38 1HB LYS 38 -0.934 -12.009 0.058
276 2HB LYS 38 2HB LYS 38 -0.332 -12.745 -1.421
277 1HG LYS 38 1HG LYS 38 -0.506 -15.025 -0.324
278 2HG LYS 38 2HG LYS 38 -1.000 -14.262 1.189
279 1HD LYS 38 1HD LYS 38 -3.049 -13.277 -0.007
280 2HD LYS 38 2HD LYS 38 -2.543 -14.094 -1.477
281 1HE LYS 38 1HE LYS 38 -4.261 -15.463 -0.513
282 2HE LYS 38 2HE LYS 38 -2.757 -16.351 -0.282
283 1HZ LYS 38 3HZ LYS 38 -4.131 -14.703 1.797
284 2HZ LYS 38 1HZ LYS 38 -4.117 -16.353 1.720
285 3HZ LYS 38 2HZ LYS 38 -2.720 -15.530 2.033
No H/Q in entry = 285
Start of MODEL 6
Raw file had 289 H/Q atoms
Start of MODEL 6
1 1H GLY 1 2H GLY 1 5.851 -4.506 4.074
2 2H GLY 1 3H GLY 1 4.521 -4.131 4.981
3 3H GLY 1 1H GLY 1 4.338 -4.765 3.467
4 1HA GLY 1 1HA GLY 1 3.864 -2.364 3.477
5 2HA GLY 1 2HA GLY 1 5.482 -2.088 4.115
6 H VAL 2 H VAL 2 3.630 -2.894 1.324
7 HA VAL 2 HA VAL 2 6.104 -2.845 -0.507
8 HB VAL 2 HB VAL 2 3.476 -4.387 -0.921
9 1HG1 VAL 2 1HG2 VAL 2 5.930 -4.193 -2.799
10 2HG1 VAL 2 2HG2 VAL 2 4.539 -5.288 -3.014
11 3HG1 VAL 2 3HG2 VAL 2 4.308 -3.539 -3.128
12 1HG2 VAL 2 1HG1 VAL 2 6.362 -5.436 -0.484
13 2HG2 VAL 2 2HG1 VAL 2 5.020 -5.568 0.674
14 3HG2 VAL 2 3HG1 VAL 2 4.937 -6.435 -0.864
15 HA PRO 3 HA PRO 3 3.626 1.010 -1.288
16 1HB PRO 3 1HB PRO 3 5.523 2.506 -2.675
17 2HB PRO 3 2HB PRO 3 5.486 2.277 -0.927
18 1HG PRO 3 2HG PRO 3 7.170 0.757 -2.967
19 2HG PRO 3 1HG PRO 3 7.695 1.458 -1.418
20 1HD PRO 3 1HD PRO 3 7.099 -1.222 -1.684
21 2HD PRO 3 2HD PRO 3 6.737 -0.357 -0.158
22 H ILE 4 H ILE 4 2.023 0.559 -2.619
23 HA ILE 4 HA ILE 4 2.458 0.250 -5.630
24 HB ILE 4 HB ILE 4 0.103 -0.316 -5.863
25 1HG1 ILE 4 2HG1 ILE 4 -0.202 -0.506 -2.804
26 2HG1 ILE 4 1HG1 ILE 4 -0.783 0.839 -3.768
27 1HG2 ILE 4 2HG2 ILE 4 1.829 -2.116 -5.637
28 2HG2 ILE 4 3HG2 ILE 4 1.501 -2.226 -3.891
29 3HG2 ILE 4 1HG2 ILE 4 0.239 -2.653 -5.072
30 1HD1 ILE 4 2HD1 ILE 4 -2.322 -0.640 -5.072
31 2HD1 ILE 4 3HD1 ILE 4 -1.810 -2.040 -4.092
32 3HD1 ILE 4 1HD1 ILE 4 -2.648 -0.675 -3.324
33 H ASN 5 H ASN 5 1.631 1.738 -7.009
34 HA ASN 5 HA ASN 5 1.447 4.531 -5.958
35 1HB ASN 5 1HB ASN 5 1.600 5.319 -8.217
36 2HB ASN 5 2HB ASN 5 2.850 4.159 -7.847
37 1HD2 ASN 5 1HD2 ASN 5 0.678 3.423 -11.139
38 2HD2 ASN 5 2HD2 ASN 5 0.556 4.989 -10.180
39 H VAL 6 H VAL 6 -0.425 4.447 -4.784
40 HA VAL 6 HA VAL 6 -2.987 5.037 -6.302
41 HB VAL 6 HB VAL 6 -2.850 2.908 -4.063
42 1HG1 VAL 6 3HG2 VAL 6 -4.907 4.319 -3.754
43 2HG1 VAL 6 1HG2 VAL 6 -5.376 4.035 -5.449
44 3HG1 VAL 6 2HG2 VAL 6 -5.326 2.688 -4.283
45 1HG2 VAL 6 1HG1 VAL 6 -3.737 2.623 -7.010
46 2HG2 VAL 6 2HG1 VAL 6 -2.289 1.900 -6.265
47 3HG2 VAL 6 3HG1 VAL 6 -3.892 1.363 -5.757
48 H SER 7 H SER 7 -3.405 6.989 -5.612
49 HA SER 7 HA SER 7 -2.283 8.108 -3.081
50 1HB SER 7 1HB SER 7 -3.185 10.279 -3.785
51 2HB SER 7 2HB SER 7 -2.235 9.515 -5.058
52 HG SER 7 HG SER 7 -4.172 10.401 -5.822
53 H CYS 8 H CYS 8 -3.254 8.030 -1.191
54 HA CYS 8 HA CYS 8 -5.991 6.842 -0.978
55 1HB CYS 8 1HB CYS 8 -4.230 7.685 1.405
56 2HB CYS 8 2HB CYS 8 -5.566 6.528 1.384
57 H THR 9 H THR 9 -7.649 7.501 0.230
58 HA THR 9 HA THR 9 -7.721 10.211 1.586
59 HB THR 9 HB THR 9 -8.747 10.756 -0.521
60 HG1 THR 9 HG1 THR 9 -10.634 10.441 1.553
61 1HG2 THR 9 2HG2 THR 9 -9.694 8.586 -1.362
62 2HG2 THR 9 3HG2 THR 9 -10.933 8.624 -0.083
63 3HG2 THR 9 1HG2 THR 9 -10.907 9.883 -1.336
64 H GLY 10 H GLY 10 -7.057 8.503 3.087
65 1HA GLY 10 2HA GLY 10 -7.984 7.605 5.275
66 2HA GLY 10 1HA GLY 10 -9.413 7.034 4.430
67 H SER 11 H SER 11 -7.577 5.538 6.037
68 HA SER 11 HA SER 11 -5.847 3.754 4.495
69 1HB SER 11 1HB SER 11 -5.684 4.064 6.959
70 2HB SER 11 2HB SER 11 -7.193 3.181 7.200
71 HG SER 11 HG SER 11 -6.208 1.406 6.128
72 HA PRO 12 HA PRO 12 -9.605 0.523 4.065
73 1HB PRO 12 1HB PRO 12 -11.818 2.607 3.659
74 2HB PRO 12 2HB PRO 12 -11.949 0.940 4.261
75 1HG PRO 12 1HG PRO 12 -11.970 2.987 6.035
76 2HG PRO 12 2HG PRO 12 -10.991 1.547 6.407
77 1HD PRO 12 1HD PRO 12 -10.033 4.231 5.270
78 2HD PRO 12 2HD PRO 12 -9.316 3.240 6.572
79 H GLN 13 H GLN 13 -9.242 3.512 2.243
80 HA GLN 13 HA GLN 13 -10.219 2.683 -0.373
81 1HB GLN 13 1HB GLN 13 -7.910 4.623 0.318
82 2HB GLN 13 2HB GLN 13 -8.618 4.458 -1.274
83 1HG GLN 13 2HG GLN 13 -10.098 5.468 1.222
84 2HG GLN 13 1HG GLN 13 -9.442 6.452 -0.059
85 1HE2 GLN 13 1HE2 GLN 13 -12.251 5.788 -2.266
86 2HE2 GLN 13 2HE2 GLN 13 -10.503 6.362 -2.196
87 H CYS 14 H CYS 14 -7.009 2.097 1.084
88 HA CYS 14 HA CYS 14 -5.780 0.924 -1.344
89 1HB CYS 14 1HB CYS 14 -5.009 0.683 1.639
90 2HB CYS 14 2HB CYS 14 -3.970 0.250 0.270
91 H ILE 15 H ILE 15 -7.990 -0.569 0.947
92 HA ILE 15 HA ILE 15 -6.895 -3.246 0.987
93 HB ILE 15 HB ILE 15 -9.802 -2.416 1.467
94 1HG1 ILE 15 2HG1 ILE 15 -7.488 -2.834 3.479
95 2HG1 ILE 15 1HG1 ILE 15 -8.107 -1.274 2.984
96 1HG2 ILE 15 2HG2 ILE 15 -9.640 -4.901 1.059
97 2HG2 ILE 15 3HG2 ILE 15 -8.369 -5.036 2.297
98 3HG2 ILE 15 1HG2 ILE 15 -10.032 -4.575 2.742
99 1HD1 ILE 15 2HD1 ILE 15 -10.381 -1.832 3.966
100 2HD1 ILE 15 3HD1 ILE 15 -9.679 -3.337 4.626
101 3HD1 ILE 15 1HD1 ILE 15 -9.050 -1.761 5.148
102 H LYS 16 H LYS 16 -9.543 -2.051 -1.212
103 HA LYS 16 HA LYS 16 -9.657 -4.586 -2.695
104 1HB LYS 16 2HB LYS 16 -11.550 -3.008 -2.605
105 2HB LYS 16 1HB LYS 16 -10.698 -1.837 -3.587
106 1HG LYS 16 1HG LYS 16 -10.610 -3.526 -5.491
107 2HG LYS 16 2HG LYS 16 -11.434 -4.705 -4.469
108 1HD LYS 16 1HD LYS 16 -13.437 -3.117 -4.297
109 2HD LYS 16 2HD LYS 16 -12.584 -1.973 -5.324
110 1HE LYS 16 1HE LYS 16 -14.131 -3.119 -6.756
111 2HE LYS 16 2HE LYS 16 -12.532 -3.708 -7.205
112 1HZ LYS 16 2HZ LYS 16 -14.475 -5.142 -5.446
113 2HZ LYS 16 3HZ LYS 16 -14.134 -5.513 -7.020
114 3HZ LYS 16 1HZ LYS 16 -12.979 -5.712 -5.855
115 HA PRO 17 HA PRO 17 -6.486 -2.625 -6.013
116 1HB PRO 17 1HB PRO 17 -5.025 -0.800 -4.022
117 2HB PRO 17 2HB PRO 17 -5.144 -0.657 -5.790
118 1HG PRO 17 2HG PRO 17 -6.745 0.869 -4.211
119 2HG PRO 17 1HG PRO 17 -7.441 0.100 -5.657
120 1HD PRO 17 2HD PRO 17 -7.680 -0.795 -2.743
121 2HD PRO 17 1HD PRO 17 -8.919 -0.752 -4.026
122 H CYS 18 H CYS 18 -5.417 -2.990 -2.596
123 HA CYS 18 HA CYS 18 -2.972 -4.536 -3.118
124 1HB CYS 18 1HB CYS 18 -4.787 -4.370 -0.627
125 2HB CYS 18 2HB CYS 18 -3.281 -5.295 -0.680
126 H LYS 19 H LYS 19 -6.280 -5.703 -2.243
127 HA LYS 19 HA LYS 19 -5.740 -8.550 -2.531
128 1HB LYS 19 2HB LYS 19 -7.706 -7.462 -1.343
129 2HB LYS 19 1HB LYS 19 -8.402 -7.027 -2.895
130 1HG LYS 19 1HG LYS 19 -8.575 -9.494 -3.483
131 2HG LYS 19 2HG LYS 19 -7.847 -9.910 -1.931
132 1HD LYS 19 1HD LYS 19 -9.757 -8.798 -0.722
133 2HD LYS 19 2HD LYS 19 -10.495 -8.331 -2.247
134 1HE LYS 19 1HE LYS 19 -9.996 -11.263 -1.372
135 2HE LYS 19 2HE LYS 19 -11.505 -10.390 -1.121
136 1HZ LYS 19 3HZ LYS 19 -11.727 -10.145 -3.534
137 2HZ LYS 19 1HZ LYS 19 -10.317 -10.966 -3.789
138 3HZ LYS 19 2HZ LYS 19 -11.612 -11.738 -3.112
139 H ASP 20 H ASP 20 -7.090 -6.286 -4.956
140 HA ASP 20 HA ASP 20 -7.343 -8.137 -7.170
141 1HB ASP 20 1HB ASP 20 -8.321 -5.777 -6.982
142 2HB ASP 20 2HB ASP 20 -6.730 -5.105 -7.287
143 H ALA 21 H ALA 21 -4.444 -6.240 -6.219
144 HA ALA 21 HA ALA 21 -2.710 -7.198 -8.431
145 1HB ALA 21 2HB ALA 21 -2.166 -5.122 -7.165
146 2HB ALA 21 3HB ALA 21 -1.960 -6.049 -5.659
147 3HB ALA 21 1HB ALA 21 -0.840 -6.292 -7.020
148 H GLY 22 H GLY 22 -3.045 -8.246 -5.016
149 1HA GLY 22 2HA GLY 22 -3.128 -10.898 -4.929
150 2HA GLY 22 1HA GLY 22 -1.504 -10.843 -5.603
151 H MET 23 H MET 23 -3.178 -9.046 -2.993
152 HA MET 23 HA MET 23 -1.145 -10.028 -0.937
153 1HB MET 23 1HB MET 23 -1.867 -7.052 -1.427
154 2HB MET 23 2HB MET 23 -0.962 -7.659 -0.057
155 1HG MET 23 1HG MET 23 0.801 -6.975 -1.331
156 2HG MET 23 2HG MET 23 0.738 -8.649 -1.879
157 1HE MET 23 3HE MET 23 2.249 -7.595 -3.911
158 2HE MET 23 2HE MET 23 1.636 -6.354 -5.049
159 3HE MET 23 1HE MET 23 1.991 -5.914 -3.350
160 H ARG 24 H ARG 24 -1.736 -9.288 1.263
161 HA ARG 24 HA ARG 24 -4.537 -10.252 1.833
162 1HB ARG 24 1HB ARG 24 -2.587 -11.359 2.870
163 2HB ARG 24 2HB ARG 24 -2.058 -9.861 3.613
164 1HG ARG 24 2HG ARG 24 -4.114 -9.826 5.049
165 2HG ARG 24 1HG ARG 24 -4.723 -11.247 4.211
166 1HD ARG 24 1HD ARG 24 -3.779 -11.880 6.395
167 2HD ARG 24 2HD ARG 24 -2.864 -12.654 5.095
168 HE ARG 24 HE ARG 24 -1.367 -10.300 5.604
169 1HH1 ARG 24 2HH2 ARG 24 -2.413 -13.032 7.622
170 2HH1 ARG 24 1HH2 ARG 24 -0.926 -12.835 8.680
171 1HH2 ARG 24 1HH1 ARG 24 0.270 -10.152 6.881
172 2HH2 ARG 24 2HH1 ARG 24 0.491 -11.312 8.285
173 H PHE 25 H PHE 25 -2.598 -7.707 3.528
174 HA PHE 25 HA PHE 25 -5.171 -6.163 3.974
175 1HB PHE 25 1HB PHE 25 -2.413 -5.557 5.193
176 2HB PHE 25 2HB PHE 25 -3.944 -4.879 5.667
177 HD1 PHE 25 HD2 PHE 25 -5.839 -6.991 6.169
178 HD2 PHE 25 HD1 PHE 25 -1.596 -6.988 6.900
179 HE1 PHE 25 HE2 PHE 25 -6.127 -8.686 7.928
180 HE2 PHE 25 HE1 PHE 25 -1.908 -8.669 8.660
181 HZ PHE 25 HZ PHE 25 -4.166 -9.530 9.173
182 H GLY 26 H GLY 26 -5.159 -3.918 3.852
183 1HA GLY 26 1HA GLY 26 -3.242 -2.531 1.882
184 2HA GLY 26 2HA GLY 26 -4.969 -2.339 1.659
185 H LYS 27 H LYS 27 -2.257 -1.580 3.614
186 HA LYS 27 HA LYS 27 -3.889 0.282 5.428
187 1HB LYS 27 1HB LYS 27 -2.176 0.024 7.152
188 2HB LYS 27 2HB LYS 27 -2.963 -1.479 6.742
189 1HG LYS 27 2HG LYS 27 -0.850 -2.077 5.306
190 2HG LYS 27 1HG LYS 27 -0.104 -0.633 5.965
191 1HD LYS 27 1HD LYS 27 0.693 -2.467 7.255
192 2HD LYS 27 2HD LYS 27 -0.392 -1.574 8.315
193 1HE LYS 27 1HE LYS 27 -2.215 -3.297 7.923
194 2HE LYS 27 2HE LYS 27 -1.193 -4.138 6.756
195 1HZ LYS 27 2HZ LYS 27 0.399 -4.575 8.556
196 2HZ LYS 27 3HZ LYS 27 -0.562 -3.790 9.646
197 3HZ LYS 27 1HZ LYS 27 -1.093 -5.178 8.926
198 H CYS 28 H CYS 28 -3.574 2.335 5.121
199 HA CYS 28 HA CYS 28 -1.501 3.193 3.107
200 1HB CYS 28 1HB CYS 28 -3.972 3.642 2.756
201 2HB CYS 28 2HB CYS 28 -3.887 4.863 4.042
202 H MET 29 H MET 29 0.106 4.454 3.493
203 HA MET 29 HA MET 29 0.555 5.948 6.120
204 1HB MET 29 1HB MET 29 2.364 5.392 3.669
205 2HB MET 29 2HB MET 29 2.819 6.479 4.963
206 1HG MET 29 1HG MET 29 3.883 4.350 5.363
207 2HG MET 29 2HG MET 29 2.733 4.682 6.671
208 1HE MET 29 3HE MET 29 3.195 1.977 7.183
209 2HE MET 29 2HE MET 29 2.715 0.686 6.037
210 3HE MET 29 1HE MET 29 4.107 1.742 5.656
211 H ASN 30 H ASN 30 1.975 8.199 4.861
212 HA ASN 30 HA ASN 30 -0.320 10.034 4.820
213 1HB ASN 30 1HB ASN 30 2.631 10.586 4.103
214 2HB ASN 30 2HB ASN 30 1.398 11.822 4.243
215 1HD2 ASN 30 1HD2 ASN 30 3.100 10.637 7.686
216 2HD2 ASN 30 2HD2 ASN 30 3.673 10.037 6.044
217 H ARG 31 H ARG 31 -1.675 9.616 3.257
218 HA ARG 31 HA ARG 31 -2.702 9.257 1.212
219 1HB ARG 31 1HB ARG 31 -0.873 11.500 0.180
220 2HB ARG 31 2HB ARG 31 -2.283 10.849 -0.643
221 1HG ARG 31 1HG ARG 31 -3.665 11.483 1.515
222 2HG ARG 31 2HG ARG 31 -2.254 12.410 1.985
223 1HD ARG 31 1HD ARG 31 -3.692 13.976 0.932
224 2HD ARG 31 2HD ARG 31 -2.419 13.716 -0.242
225 HE ARG 31 HE ARG 31 -5.291 12.594 -0.363
226 1HH1 ARG 31 2HH2 ARG 31 -2.276 13.271 -2.127
227 2HH1 ARG 31 1HH2 ARG 31 -3.096 12.830 -3.709
228 1HH2 ARG 31 1HH1 ARG 31 -6.112 12.117 -2.209
229 2HH2 ARG 31 2HH1 ARG 31 -5.120 12.221 -3.750
230 H LYS 32 H LYS 32 -0.518 7.402 1.708
231 HA LYS 32 HA LYS 32 0.139 6.559 -1.187
232 1HB LYS 32 1HB LYS 32 2.086 6.742 1.206
233 2HB LYS 32 2HB LYS 32 2.439 5.831 -0.256
234 1HG LYS 32 2HG LYS 32 2.314 7.831 -1.669
235 2HG LYS 32 1HG LYS 32 1.874 8.857 -0.319
236 1HD LYS 32 1HD LYS 32 4.538 7.277 -0.422
237 2HD LYS 32 2HD LYS 32 4.323 8.864 -1.121
238 1HE LYS 32 1HE LYS 32 5.345 9.294 0.959
239 2HE LYS 32 2HE LYS 32 3.678 9.812 1.163
240 1HZ LYS 32 2HZ LYS 32 4.832 7.238 2.144
241 2HZ LYS 32 3HZ LYS 32 4.467 8.558 3.068
242 3HZ LYS 32 1HZ LYS 32 3.257 7.697 2.346
243 H CYS 33 H CYS 33 -0.712 4.612 -1.478
244 HA CYS 33 HA CYS 33 -1.562 2.799 0.667
245 1HB CYS 33 1HB CYS 33 -1.340 2.463 -2.383
246 2HB CYS 33 2HB CYS 33 -1.918 1.155 -1.335
247 H HIS 34 H HIS 34 -0.521 1.228 1.711
248 HA HIS 34 HA HIS 34 1.957 -0.109 0.476
249 1HB HIS 34 1HB HIS 34 1.568 0.799 3.393
250 2HB HIS 34 2HB HIS 34 2.660 -0.493 2.965
251 HD1 HIS 34 HD1 HIS 34 5.079 0.123 2.079
252 HD2 HIS 34 HD2 HIS 34 2.248 3.343 2.269
253 HE1 HIS 34 HE1 HIS 34 6.259 2.381 1.699
254 HE2 HIS 34 HE2 HIS 34 4.642 4.389 1.790
255 H CYS 35 H CYS 35 1.395 -2.053 -0.033
256 HA CYS 35 HA CYS 35 -0.856 -3.545 1.296
257 1HB CYS 35 1HB CYS 35 0.970 -4.399 -1.048
258 2HB CYS 35 2HB CYS 35 -0.505 -5.217 -0.487
259 H THR 36 H THR 36 -0.658 -5.513 2.344
260 HA THR 36 HA THR 36 2.132 -6.353 3.345
261 HB THR 36 HB THR 36 -0.577 -6.824 4.698
262 HG1 THR 36 HG1 THR 36 0.201 -4.695 4.766
263 1HG2 THR 36 3HG2 THR 36 2.282 -7.456 5.695
264 2HG2 THR 36 1HG2 THR 36 0.790 -7.579 6.660
265 3HG2 THR 36 2HG2 THR 36 1.036 -8.659 5.273
266 HA PRO 37 HA PRO 37 1.043 -9.563 0.170
267 1HB PRO 37 1HB PRO 37 3.597 -10.791 1.373
268 2HB PRO 37 2HB PRO 37 3.079 -10.762 -0.330
269 1HG PRO 37 1HG PRO 37 4.860 -8.913 0.520
270 2HG PRO 37 2HG PRO 37 3.500 -8.377 -0.501
271 1HD PRO 37 1HD PRO 37 3.793 -8.100 2.534
272 2HD PRO 37 2HD PRO 37 3.140 -6.941 1.338
273 H LYS 38 H LYS 38 0.213 -11.552 -0.016
274 HA LYS 38 HA LYS 38 -0.838 -12.860 2.496
275 1HB LYS 38 1HB LYS 38 -2.444 -14.002 1.082
276 2HB LYS 38 2HB LYS 38 -2.466 -12.281 0.806
277 1HG LYS 38 1HG LYS 38 -1.011 -12.729 -1.330
278 2HG LYS 38 2HG LYS 38 -1.373 -14.432 -1.103
279 1HD LYS 38 1HD LYS 38 -3.437 -12.163 -1.484
280 2HD LYS 38 2HD LYS 38 -2.858 -13.236 -2.750
281 1HE LYS 38 1HE LYS 38 -3.858 -15.236 -1.536
282 2HE LYS 38 2HE LYS 38 -4.462 -14.159 -0.267
283 1HZ LYS 38 1HZ LYS 38 -5.778 -12.993 -1.958
284 2HZ LYS 38 2HZ LYS 38 -5.226 -14.006 -3.141
285 3HZ LYS 38 3HZ LYS 38 -6.161 -14.600 -1.915
No H/Q in entry = 285
Start of MODEL 7
Raw file had 289 H/Q atoms
Start of MODEL 7
1 1H GLY 1 2H GLY 1 4.029 -1.730 4.241
2 2H GLY 1 3H GLY 1 2.967 -2.732 3.469
3 3H GLY 1 1H GLY 1 3.419 -3.051 5.025
4 1HA GLY 1 2HA GLY 1 5.701 -3.505 4.372
5 2HA GLY 1 1HA GLY 1 4.571 -4.587 3.564
6 H VAL 2 H VAL 2 4.417 -4.484 1.361
7 HA VAL 2 HA VAL 2 6.591 -3.111 -0.114
8 HB VAL 2 HB VAL 2 5.815 -4.250 -2.155
9 1HG1 VAL 2 3HG2 VAL 2 7.506 -5.298 -0.647
10 2HG1 VAL 2 1HG2 VAL 2 6.216 -6.156 0.231
11 3HG1 VAL 2 2HG2 VAL 2 6.527 -6.518 -1.484
12 1HG2 VAL 2 1HG1 VAL 2 3.628 -5.575 -0.422
13 2HG2 VAL 2 2HG1 VAL 2 3.369 -4.555 -1.850
14 3HG2 VAL 2 3HG1 VAL 2 4.135 -6.138 -2.029
15 HA PRO 3 HA PRO 3 3.904 0.521 -1.033
16 1HB PRO 3 1HB PRO 3 6.118 1.303 -2.986
17 2HB PRO 3 2HB PRO 3 5.356 2.260 -1.702
18 1HG PRO 3 2HG PRO 3 7.855 1.193 -1.377
19 2HG PRO 3 1HG PRO 3 6.719 1.233 -0.013
20 1HD PRO 3 2HD PRO 3 7.407 -1.151 -1.806
21 2HD PRO 3 1HD PRO 3 7.184 -1.067 -0.033
22 H ILE 4 H ILE 4 2.304 0.821 -2.428
23 HA ILE 4 HA ILE 4 2.630 0.143 -5.389
24 HB ILE 4 HB ILE 4 0.344 -0.495 -5.702
25 1HG1 ILE 4 1HG1 ILE 4 -0.167 -0.634 -2.672
26 2HG1 ILE 4 2HG1 ILE 4 -0.698 0.680 -3.703
27 1HG2 ILE 4 2HG2 ILE 4 2.077 -2.266 -5.331
28 2HG2 ILE 4 3HG2 ILE 4 1.629 -2.357 -3.611
29 3HG2 ILE 4 1HG2 ILE 4 0.458 -2.817 -4.872
30 1HD1 ILE 4 2HD1 ILE 4 -2.115 -0.836 -5.089
31 2HD1 ILE 4 3HD1 ILE 4 -1.660 -2.215 -4.056
32 3HD1 ILE 4 1HD1 ILE 4 -2.572 -0.851 -3.371
33 H ASN 5 H ASN 5 1.942 1.687 -6.750
34 HA ASN 5 HA ASN 5 1.617 4.428 -5.594
35 1HB ASN 5 1HB ASN 5 1.969 5.319 -7.789
36 2HB ASN 5 2HB ASN 5 3.203 4.167 -7.354
37 1HD2 ASN 5 1HD2 ASN 5 1.375 3.552 -10.870
38 2HD2 ASN 5 2HD2 ASN 5 1.134 5.069 -9.859
39 H VAL 6 H VAL 6 -0.347 4.362 -4.632
40 HA VAL 6 HA VAL 6 -2.781 4.830 -6.394
41 HB VAL 6 HB VAL 6 -2.771 2.770 -4.087
42 1HG1 VAL 6 3HG2 VAL 6 -4.903 4.089 -4.012
43 2HG1 VAL 6 1HG2 VAL 6 -5.188 3.769 -5.741
44 3HG1 VAL 6 2HG2 VAL 6 -5.206 2.437 -4.557
45 1HG2 VAL 6 1HG1 VAL 6 -3.359 2.363 -7.094
46 2HG2 VAL 6 2HG1 VAL 6 -1.958 1.727 -6.195
47 3HG2 VAL 6 3HG1 VAL 6 -3.577 1.133 -5.822
48 H SER 7 H SER 7 -3.456 6.739 -5.779
49 HA SER 7 HA SER 7 -2.466 8.072 -3.328
50 1HB SER 7 1HB SER 7 -3.610 10.105 -4.127
51 2HB SER 7 2HB SER 7 -2.614 9.364 -5.377
52 HG SER 7 HG SER 7 -4.516 8.403 -6.220
53 H CYS 8 H CYS 8 -3.359 8.028 -1.413
54 HA CYS 8 HA CYS 8 -6.074 6.801 -0.994
55 1HB CYS 8 1HB CYS 8 -4.016 7.695 1.132
56 2HB CYS 8 2HB CYS 8 -5.436 6.667 1.392
57 H THR 9 H THR 9 -7.622 7.494 0.314
58 HA THR 9 HA THR 9 -7.585 10.212 1.648
59 HB THR 9 HB THR 9 -8.735 10.766 -0.390
60 HG1 THR 9 HG1 THR 9 -9.391 11.593 1.594
61 1HG2 THR 9 2HG2 THR 9 -9.747 8.613 -1.177
62 2HG2 THR 9 3HG2 THR 9 -10.904 8.644 0.177
63 3HG2 THR 9 1HG2 THR 9 -10.953 9.912 -1.068
64 H GLY 10 H GLY 10 -6.860 8.502 3.126
65 1HA GLY 10 1HA GLY 10 -7.675 7.641 5.371
66 2HA GLY 10 2HA GLY 10 -9.158 7.085 4.615
67 H SER 11 H SER 11 -7.456 5.523 6.156
68 HA SER 11 HA SER 11 -5.766 3.680 4.615
69 1HB SER 11 1HB SER 11 -5.571 3.999 7.079
70 2HB SER 11 2HB SER 11 -7.102 3.162 7.334
71 HG SER 11 HG SER 11 -5.300 1.811 7.508
72 HA PRO 12 HA PRO 12 -9.675 0.607 4.241
73 1HB PRO 12 1HB PRO 12 -11.774 2.806 3.832
74 2HB PRO 12 2HB PRO 12 -11.993 1.149 4.437
75 1HG PRO 12 1HG PRO 12 -11.902 3.193 6.210
76 2HG PRO 12 2HG PRO 12 -10.993 1.706 6.578
77 1HD PRO 12 1HD PRO 12 -9.911 4.337 5.434
78 2HD PRO 12 2HD PRO 12 -9.233 3.313 6.732
79 H GLN 13 H GLN 13 -9.130 3.552 2.400
80 HA GLN 13 HA GLN 13 -10.197 2.754 -0.198
81 1HB GLN 13 1HB GLN 13 -7.825 4.624 0.466
82 2HB GLN 13 2HB GLN 13 -8.527 4.462 -1.130
83 1HG GLN 13 2HG GLN 13 -9.989 5.540 1.349
84 2HG GLN 13 1HG GLN 13 -9.312 6.488 0.052
85 1HE2 GLN 13 1HE2 GLN 13 -12.121 5.831 -2.162
86 2HE2 GLN 13 2HE2 GLN 13 -10.349 6.330 -2.109
87 H CYS 14 H CYS 14 -6.971 2.062 1.201
88 HA CYS 14 HA CYS 14 -5.893 0.819 -1.276
89 1HB CYS 14 1HB CYS 14 -4.916 0.660 1.645
90 2HB CYS 14 2HB CYS 14 -3.981 0.180 0.215
91 H ILE 15 H ILE 15 -8.050 -0.564 1.098
92 HA ILE 15 HA ILE 15 -7.114 -3.273 1.252
93 HB ILE 15 HB ILE 15 -9.992 -2.221 1.361
94 1HG1 ILE 15 2HG1 ILE 15 -8.553 -1.114 3.055
95 2HG1 ILE 15 1HG1 ILE 15 -9.856 -2.035 3.730
96 1HG2 ILE 15 3HG2 ILE 15 -8.991 -4.950 2.372
97 2HG2 ILE 15 1HG2 ILE 15 -10.587 -4.241 2.734
98 3HG2 ILE 15 2HG2 ILE 15 -10.160 -4.651 1.066
99 1HD1 ILE 15 3HD1 ILE 15 -6.912 -2.979 3.650
100 2HD1 ILE 15 1HD1 ILE 15 -7.734 -2.263 5.054
101 3HD1 ILE 15 2HD1 ILE 15 -8.247 -3.853 4.442
102 H LYS 16 H LYS 16 -9.637 -2.094 -1.120
103 HA LYS 16 HA LYS 16 -9.648 -4.615 -2.609
104 1HB LYS 16 2HB LYS 16 -10.799 -1.829 -3.196
105 2HB LYS 16 1HB LYS 16 -10.859 -3.122 -4.370
106 1HG LYS 16 1HG LYS 16 -12.107 -4.598 -2.739
107 2HG LYS 16 2HG LYS 16 -12.008 -3.330 -1.526
108 1HD LYS 16 1HD LYS 16 -14.201 -3.202 -2.427
109 2HD LYS 16 2HD LYS 16 -13.350 -1.780 -3.014
110 1HE LYS 16 1HE LYS 16 -13.013 -2.929 -5.273
111 2HE LYS 16 2HE LYS 16 -13.833 -4.371 -4.657
112 1HZ LYS 16 3HZ LYS 16 -15.836 -3.012 -4.325
113 2HZ LYS 16 1HZ LYS 16 -15.066 -1.666 -4.897
114 3HZ LYS 16 2HZ LYS 16 -15.340 -2.950 -5.901
115 HA PRO 17 HA PRO 17 -6.575 -2.491 -5.906
116 1HB PRO 17 1HB PRO 17 -5.116 -0.695 -3.888
117 2HB PRO 17 2HB PRO 17 -5.273 -0.504 -5.648
118 1HG PRO 17 1HG PRO 17 -6.880 0.939 -3.991
119 2HG PRO 17 2HG PRO 17 -7.578 0.205 -5.455
120 1HD PRO 17 1HD PRO 17 -7.764 -0.786 -2.570
121 2HD PRO 17 2HD PRO 17 -9.021 -0.738 -3.838
122 H CYS 18 H CYS 18 -5.431 -2.928 -2.524
123 HA CYS 18 HA CYS 18 -2.993 -4.461 -3.126
124 1HB CYS 18 1HB CYS 18 -4.783 -4.371 -0.610
125 2HB CYS 18 2HB CYS 18 -3.272 -5.282 -0.706
126 H LYS 19 H LYS 19 -6.291 -5.627 -2.236
127 HA LYS 19 HA LYS 19 -5.823 -8.471 -2.592
128 1HB LYS 19 2HB LYS 19 -7.759 -7.339 -1.398
129 2HB LYS 19 1HB LYS 19 -8.416 -6.841 -2.947
130 1HG LYS 19 1HG LYS 19 -8.738 -9.288 -3.575
131 2HG LYS 19 2HG LYS 19 -8.001 -9.762 -2.051
132 1HD LYS 19 1HD LYS 19 -10.374 -9.963 -1.778
133 2HD LYS 19 2HD LYS 19 -9.855 -8.616 -0.773
134 1HE LYS 19 1HE LYS 19 -10.687 -6.979 -2.551
135 2HE LYS 19 2HE LYS 19 -11.170 -8.341 -3.572
136 1HZ LYS 19 3HZ LYS 19 -12.712 -9.031 -1.807
137 2HZ LYS 19 1HZ LYS 19 -12.255 -7.759 -0.857
138 3HZ LYS 19 2HZ LYS 19 -13.028 -7.484 -2.292
139 H ASP 20 H ASP 20 -7.088 -6.137 -4.995
140 HA ASP 20 HA ASP 20 -7.357 -7.974 -7.233
141 1HB ASP 20 1HB ASP 20 -8.355 -5.629 -7.019
142 2HB ASP 20 2HB ASP 20 -6.769 -4.936 -7.296
143 H ALA 21 H ALA 21 -4.474 -6.079 -6.233
144 HA ALA 21 HA ALA 21 -2.744 -6.927 -8.494
145 1HB ALA 21 2HB ALA 21 -2.230 -4.888 -7.157
146 2HB ALA 21 3HB ALA 21 -1.988 -5.865 -5.688
147 3HB ALA 21 1HB ALA 21 -0.878 -6.034 -7.068
148 H GLY 22 H GLY 22 -3.044 -8.121 -5.128
149 1HA GLY 22 2HA GLY 22 -3.031 -10.783 -5.146
150 2HA GLY 22 1HA GLY 22 -1.408 -10.635 -5.809
151 H MET 23 H MET 23 -3.158 -8.988 -3.155
152 HA MET 23 HA MET 23 -1.092 -9.936 -1.118
153 1HB MET 23 1HB MET 23 -1.903 -6.977 -1.551
154 2HB MET 23 2HB MET 23 -0.988 -7.586 -0.187
155 1HG MET 23 2HG MET 23 0.756 -6.816 -1.457
156 2HG MET 23 1HG MET 23 0.751 -8.491 -2.006
157 1HE MET 23 3HE MET 23 2.228 -7.470 -3.997
158 2HE MET 23 2HE MET 23 1.620 -6.284 -5.194
159 3HE MET 23 1HE MET 23 1.954 -5.769 -3.513
160 H ARG 24 H ARG 24 -1.705 -9.352 1.089
161 HA ARG 24 HA ARG 24 -4.489 -10.374 1.608
162 1HB ARG 24 1HB ARG 24 -2.502 -11.468 2.601
163 2HB ARG 24 2HB ARG 24 -2.038 -9.992 3.428
164 1HG ARG 24 1HG ARG 24 -4.114 -10.098 4.832
165 2HG ARG 24 2HG ARG 24 -4.660 -11.498 3.919
166 1HD ARG 24 2HD ARG 24 -3.727 -12.212 6.076
167 2HD ARG 24 1HD ARG 24 -2.755 -12.877 4.757
168 HE ARG 24 HE ARG 24 -1.380 -10.481 5.443
169 1HH1 ARG 24 2HH2 ARG 24 -2.305 -13.412 7.227
170 2HH1 ARG 24 1HH2 ARG 24 -0.848 -13.219 8.324
171 1HH2 ARG 24 1HH1 ARG 24 0.227 -10.345 6.760
172 2HH2 ARG 24 2HH1 ARG 24 0.490 -11.596 8.075
173 H PHE 25 H PHE 25 -2.599 -7.819 3.356
174 HA PHE 25 HA PHE 25 -5.210 -6.283 3.749
175 1HB PHE 25 1HB PHE 25 -2.546 -5.879 5.247
176 2HB PHE 25 2HB PHE 25 -4.063 -5.105 5.594
177 HD1 PHE 25 HD2 PHE 25 -6.163 -6.811 6.042
178 HD2 PHE 25 HD1 PHE 25 -2.005 -7.740 6.664
179 HE1 PHE 25 HE2 PHE 25 -6.782 -8.557 7.660
180 HE2 PHE 25 HE1 PHE 25 -2.646 -9.465 8.293
181 HZ PHE 25 HZ PHE 25 -5.030 -9.887 8.787
182 H GLY 26 H GLY 26 -5.032 -3.978 3.841
183 1HA GLY 26 1HA GLY 26 -3.025 -2.629 1.945
184 2HA GLY 26 2HA GLY 26 -4.743 -2.422 1.640
185 H LYS 27 H LYS 27 -2.096 -1.650 3.716
186 HA LYS 27 HA LYS 27 -3.814 0.200 5.472
187 1HB LYS 27 1HB LYS 27 -2.518 -1.658 6.622
188 2HB LYS 27 2HB LYS 27 -1.008 -0.959 6.049
189 1HG LYS 27 1HG LYS 27 -1.564 1.181 7.319
190 2HG LYS 27 2HG LYS 27 -3.055 0.456 7.898
191 1HD LYS 27 1HD LYS 27 -0.213 -0.624 8.469
192 2HD LYS 27 2HD LYS 27 -1.116 0.447 9.533
193 1HE LYS 27 1HE LYS 27 -2.934 -1.311 9.799
194 2HE LYS 27 2HE LYS 27 -2.016 -2.413 8.764
195 1HZ LYS 27 1HZ LYS 27 -1.039 -1.293 11.343
196 2HZ LYS 27 2HZ LYS 27 -1.582 -2.832 11.097
197 3HZ LYS 27 3HZ LYS 27 -0.189 -2.323 10.371
198 H CYS 28 H CYS 28 -3.617 2.278 5.039
199 HA CYS 28 HA CYS 28 -1.508 3.179 3.061
200 1HB CYS 28 1HB CYS 28 -4.027 3.480 2.622
201 2HB CYS 28 2HB CYS 28 -3.989 4.808 3.794
202 H MET 29 H MET 29 -0.021 4.581 3.462
203 HA MET 29 HA MET 29 0.146 6.195 6.057
204 1HB MET 29 1HB MET 29 2.196 5.759 3.782
205 2HB MET 29 2HB MET 29 2.454 6.817 5.158
206 1HG MET 29 1HG MET 29 2.260 4.899 6.772
207 2HG MET 29 2HG MET 29 2.013 3.789 5.417
208 1HE MET 29 3HE MET 29 4.584 5.594 7.648
209 2HE MET 29 2HE MET 29 6.016 5.821 6.602
210 3HE MET 29 1HE MET 29 4.566 6.837 6.358
211 H ASN 30 H ASN 30 1.467 8.486 4.953
212 HA ASN 30 HA ASN 30 -0.926 10.122 4.524
213 1HB ASN 30 1HB ASN 30 2.048 10.890 4.271
214 2HB ASN 30 2HB ASN 30 0.732 12.039 4.130
215 1HD2 ASN 30 1HD2 ASN 30 0.152 12.176 7.685
216 2HD2 ASN 30 2HD2 ASN 30 -0.534 12.568 6.022
217 H ARG 31 H ARG 31 -2.016 9.737 2.797
218 HA ARG 31 HA ARG 31 -2.794 9.579 0.602
219 1HB ARG 31 1HB ARG 31 -0.461 11.454 -0.111
220 2HB ARG 31 2HB ARG 31 -1.795 11.055 -1.182
221 1HG ARG 31 1HG ARG 31 -3.460 12.063 0.327
222 2HG ARG 31 2HG ARG 31 -2.237 12.436 1.530
223 1HD ARG 31 1HD ARG 31 -2.320 13.601 -1.327
224 2HD ARG 31 2HD ARG 31 -2.918 14.418 0.102
225 HE ARG 31 HE ARG 31 -0.054 14.148 -0.728
226 1HH1 ARG 31 2HH2 ARG 31 -2.146 14.832 2.068
227 2HH1 ARG 31 1HH2 ARG 31 -0.756 15.683 2.912
228 1HH2 ARG 31 1HH1 ARG 31 1.449 15.134 0.326
229 2HH2 ARG 31 2HH1 ARG 31 1.140 15.841 1.989
230 H LYS 32 H LYS 32 -0.559 7.551 1.438
231 HA LYS 32 HA LYS 32 0.013 6.528 -1.414
232 1HB LYS 32 1HB LYS 32 2.096 6.835 0.856
233 2HB LYS 32 2HB LYS 32 2.354 5.903 -0.617
234 1HG LYS 32 2HG LYS 32 2.049 7.955 -2.026
235 2HG LYS 32 1HG LYS 32 1.792 8.924 -0.573
236 1HD LYS 32 1HD LYS 32 4.114 8.269 0.264
237 2HD LYS 32 2HD LYS 32 4.352 7.327 -1.201
238 1HE LYS 32 1HE LYS 32 5.502 9.404 -1.549
239 2HE LYS 32 2HE LYS 32 4.091 9.449 -2.603
240 1HZ LYS 32 3HZ LYS 32 4.312 10.801 0.051
241 2HZ LYS 32 1HZ LYS 32 4.396 11.540 -1.424
242 3HZ LYS 32 2HZ LYS 32 2.979 10.855 -0.922
243 H CYS 33 H CYS 33 -0.791 4.576 -1.566
244 HA CYS 33 HA CYS 33 -1.539 2.819 0.642
245 1HB CYS 33 1HB CYS 33 -1.246 2.336 -2.388
246 2HB CYS 33 2HB CYS 33 -1.810 1.069 -1.285
247 H HIS 34 H HIS 34 -0.547 1.174 1.670
248 HA HIS 34 HA HIS 34 2.005 -0.079 0.508
249 1HB HIS 34 1HB HIS 34 1.634 0.764 3.456
250 2HB HIS 34 2HB HIS 34 2.899 -0.295 2.863
251 HD1 HIS 34 HD1 HIS 34 4.911 0.820 1.314
252 HD2 HIS 34 HD2 HIS 34 1.882 3.430 2.872
253 HE1 HIS 34 HE1 HIS 34 5.609 3.284 1.018
254 HE2 HIS 34 HE2 HIS 34 3.852 4.940 1.919
255 H CYS 35 H CYS 35 1.329 -1.997 -0.025
256 HA CYS 35 HA CYS 35 -0.864 -3.469 1.376
257 1HB CYS 35 1HB CYS 35 0.964 -4.375 -0.948
258 2HB CYS 35 2HB CYS 35 -0.520 -5.176 -0.388
259 H THR 36 H THR 36 -0.692 -5.568 2.263
260 HA THR 36 HA THR 36 2.058 -6.393 3.383
261 HB THR 36 HB THR 36 -0.697 -6.949 4.610
262 HG1 THR 36 HG1 THR 36 0.028 -4.806 4.791
263 1HG2 THR 36 3HG2 THR 36 2.125 -7.556 5.713
264 2HG2 THR 36 1HG2 THR 36 0.589 -7.759 6.594
265 3HG2 THR 36 2HG2 THR 36 0.934 -8.771 5.176
266 HA PRO 37 HA PRO 37 0.914 -9.414 0.043
267 1HB PRO 37 1HB PRO 37 3.638 -10.578 0.852
268 2HB PRO 37 2HB PRO 37 2.948 -10.385 -0.776
269 1HG PRO 37 2HG PRO 37 4.723 -8.553 0.124
270 2HG PRO 37 1HG PRO 37 3.245 -7.982 -0.691
271 1HD PRO 37 1HD PRO 37 3.801 -8.094 2.328
272 2HD PRO 37 2HD PRO 37 3.060 -6.789 1.360
273 H LYS 38 H LYS 38 0.068 -11.378 -0.160
274 HA LYS 38 HA LYS 38 -0.566 -12.948 2.321
275 1HB LYS 38 1HB LYS 38 -2.167 -14.220 0.902
276 2HB LYS 38 2HB LYS 38 -2.430 -12.508 0.973
277 1HG LYS 38 1HG LYS 38 -2.971 -13.052 -1.209
278 2HG LYS 38 2HG LYS 38 -1.427 -12.243 -1.359
279 1HD LYS 38 1HD LYS 38 -0.282 -14.485 -1.642
280 2HD LYS 38 2HD LYS 38 -1.831 -15.305 -1.421
281 1HE LYS 38 1HE LYS 38 -2.732 -14.123 -3.495
282 2HE LYS 38 2HE LYS 38 -1.177 -13.304 -3.702
283 1HZ LYS 38 1HZ LYS 38 -0.125 -15.492 -3.953
284 2HZ LYS 38 2HZ LYS 38 -1.577 -16.258 -3.762
285 3HZ LYS 38 3HZ LYS 38 -1.322 -15.286 -5.073
No H/Q in entry = 285
Start of MODEL 8
Raw file had 289 H/Q atoms
Start of MODEL 8
1 1H GLY 1 2H GLY 1 5.958 -1.765 4.594
2 2H GLY 1 3H GLY 1 4.731 -0.847 3.977
3 3H GLY 1 1H GLY 1 4.470 -1.784 5.313
4 1HA GLY 1 2HA GLY 1 4.765 -3.828 4.056
5 2HA GLY 1 1HA GLY 1 3.445 -2.855 3.413
6 H VAL 2 H VAL 2 3.542 -2.477 1.285
7 HA VAL 2 HA VAL 2 6.193 -2.485 -0.242
8 HB VAL 2 HB VAL 2 3.722 -4.089 -1.145
9 1HG1 VAL 2 1HG2 VAL 2 6.460 -3.685 -2.544
10 2HG1 VAL 2 2HG2 VAL 2 5.196 -4.818 -3.077
11 3HG1 VAL 2 3HG2 VAL 2 4.890 -3.076 -3.117
12 1HG2 VAL 2 2HG1 VAL 2 5.007 -5.346 0.608
13 2HG2 VAL 2 3HG1 VAL 2 5.189 -6.113 -0.974
14 3HG2 VAL 2 1HG1 VAL 2 6.516 -5.126 -0.304
15 HA PRO 3 HA PRO 3 3.720 1.304 -1.223
16 1HB PRO 3 1HB PRO 3 5.651 2.797 -2.564
17 2HB PRO 3 2HB PRO 3 5.562 2.584 -0.815
18 1HG PRO 3 1HG PRO 3 7.315 1.054 -2.789
19 2HG PRO 3 2HG PRO 3 7.790 1.773 -1.232
20 1HD PRO 3 1HD PRO 3 7.213 -0.914 -1.490
21 2HD PRO 3 2HD PRO 3 6.804 -0.036 0.016
22 H ILE 4 H ILE 4 2.164 0.835 -2.606
23 HA ILE 4 HA ILE 4 2.720 0.593 -5.609
24 HB ILE 4 HB ILE 4 0.423 -0.112 -5.958
25 1HG1 ILE 4 2HG1 ILE 4 -0.002 -0.385 -2.919
26 2HG1 ILE 4 1HG1 ILE 4 -0.635 0.924 -3.901
27 1HG2 ILE 4 2HG2 ILE 4 2.243 -1.813 -5.702
28 2HG2 ILE 4 3HG2 ILE 4 1.842 -1.997 -3.977
29 3HG2 ILE 4 1HG2 ILE 4 0.664 -2.458 -5.229
30 1HD1 ILE 4 2HD1 ILE 4 -2.001 -0.652 -5.283
31 2HD1 ILE 4 3HD1 ILE 4 -1.445 -2.014 -4.273
32 3HD1 ILE 4 1HD1 ILE 4 -2.409 -0.704 -3.553
33 H ASN 5 H ASN 5 1.882 2.095 -6.965
34 HA ASN 5 HA ASN 5 1.503 4.823 -5.821
35 1HB ASN 5 1HB ASN 5 1.636 5.694 -8.070
36 2HB ASN 5 2HB ASN 5 2.971 4.642 -7.669
37 1HD2 ASN 5 1HD2 ASN 5 2.289 2.399 -10.417
38 2HD2 ASN 5 2HD2 ASN 5 3.215 2.634 -8.845
39 H VAL 6 H VAL 6 -0.375 4.722 -4.729
40 HA VAL 6 HA VAL 6 -2.958 5.080 -6.295
41 HB VAL 6 HB VAL 6 -2.667 3.042 -3.989
42 1HG1 VAL 6 3HG2 VAL 6 -4.839 4.294 -3.742
43 2HG1 VAL 6 1HG2 VAL 6 -5.273 3.891 -5.423
44 3HG1 VAL 6 2HG2 VAL 6 -5.105 2.610 -4.191
45 1HG2 VAL 6 1HG1 VAL 6 -3.511 2.591 -6.929
46 2HG2 VAL 6 2HG1 VAL 6 -2.015 2.008 -6.156
47 3HG2 VAL 6 3HG1 VAL 6 -3.575 1.361 -5.638
48 H SER 7 H SER 7 -3.592 6.995 -5.641
49 HA SER 7 HA SER 7 -2.499 8.315 -3.213
50 1HB SER 7 1HB SER 7 -3.672 10.355 -3.947
51 2HB SER 7 2HB SER 7 -2.684 9.639 -5.218
52 HG SER 7 HG SER 7 -4.590 8.688 -6.063
53 H CYS 8 H CYS 8 -3.313 8.077 -1.285
54 HA CYS 8 HA CYS 8 -6.087 6.983 -0.836
55 1HB CYS 8 1HB CYS 8 -3.885 7.624 1.245
56 2HB CYS 8 2HB CYS 8 -5.371 6.722 1.550
57 H THR 9 H THR 9 -7.534 7.699 0.595
58 HA THR 9 HA THR 9 -7.261 10.374 2.002
59 HB THR 9 HB THR 9 -8.546 10.939 -0.007
60 HG1 THR 9 HG1 THR 9 -8.914 11.910 1.981
61 1HG2 THR 9 3HG2 THR 9 -10.765 8.996 0.917
62 2HG2 THR 9 1HG2 THR 9 -10.900 10.219 -0.367
63 3HG2 THR 9 2HG2 THR 9 -9.797 8.845 -0.573
64 H GLY 10 H GLY 10 -6.616 7.993 3.021
65 1HA GLY 10 2HA GLY 10 -7.363 7.389 5.515
66 2HA GLY 10 1HA GLY 10 -8.919 7.000 4.784
67 H SER 11 H SER 11 -7.435 5.158 6.163
68 HA SER 11 HA SER 11 -5.882 3.293 4.503
69 1HB SER 11 1HB SER 11 -7.329 2.777 7.163
70 2HB SER 11 2HB SER 11 -6.270 1.623 6.348
71 HG SER 11 HG SER 11 -5.565 4.254 7.130
72 HA PRO 12 HA PRO 12 -10.055 0.615 3.853
73 1HB PRO 12 1HB PRO 12 -11.896 3.033 3.431
74 2HB PRO 12 2HB PRO 12 -12.317 1.385 3.950
75 1HG PRO 12 2HG PRO 12 -12.102 3.328 5.818
76 2HG PRO 12 1HG PRO 12 -11.364 1.744 6.156
77 1HD PRO 12 1HD PRO 12 -9.976 4.300 5.189
78 2HD PRO 12 2HD PRO 12 -9.457 3.150 6.456
79 H GLN 13 H GLN 13 -9.178 3.538 2.129
80 HA GLN 13 HA GLN 13 -10.177 2.916 -0.553
81 1HB GLN 13 1HB GLN 13 -7.900 4.706 0.525
82 2HB GLN 13 2HB GLN 13 -8.141 4.511 -1.190
83 1HG GLN 13 2HG GLN 13 -9.165 6.574 -0.323
84 2HG GLN 13 1HG GLN 13 -10.245 5.566 -1.240
85 1HE2 GLN 13 1HE2 GLN 13 -11.155 6.111 2.749
86 2HE2 GLN 13 2HE2 GLN 13 -9.412 6.301 2.191
87 H CYS 14 H CYS 14 -7.046 2.072 0.981
88 HA CYS 14 HA CYS 14 -5.873 0.829 -1.434
89 1HB CYS 14 1HB CYS 14 -5.117 0.555 1.547
90 2HB CYS 14 2HB CYS 14 -4.090 0.098 0.172
91 H ILE 15 H ILE 15 -8.184 -0.564 0.820
92 HA ILE 15 HA ILE 15 -7.269 -3.277 0.938
93 HB ILE 15 HB ILE 15 -10.201 -2.374 0.949
94 1HG1 ILE 15 2HG1 ILE 15 -8.988 -1.017 2.607
95 2HG1 ILE 15 1HG1 ILE 15 -10.179 -2.056 3.317
96 1HG2 ILE 15 2HG2 ILE 15 -10.057 -4.845 0.817
97 2HG2 ILE 15 3HG2 ILE 15 -8.957 -4.900 2.209
98 3HG2 ILE 15 1HG2 ILE 15 -10.645 -4.363 2.414
99 1HD1 ILE 15 3HD1 ILE 15 -7.134 -2.572 3.356
100 2HD1 ILE 15 1HD1 ILE 15 -8.097 -1.921 4.701
101 3HD1 ILE 15 2HD1 ILE 15 -8.344 -3.600 4.164
102 H LYS 16 H LYS 16 -9.575 -1.928 -1.541
103 HA LYS 16 HA LYS 16 -9.766 -4.440 -3.056
104 1HB LYS 16 1HB LYS 16 -10.639 -1.554 -3.538
105 2HB LYS 16 2HB LYS 16 -10.474 -2.590 -4.918
106 1HG LYS 16 1HG LYS 16 -12.728 -2.634 -4.291
107 2HG LYS 16 2HG LYS 16 -12.106 -4.238 -4.002
108 1HD LYS 16 1HD LYS 16 -12.280 -2.202 -1.686
109 2HD LYS 16 2HD LYS 16 -13.745 -2.958 -2.291
110 1HE LYS 16 1HE LYS 16 -12.848 -5.254 -1.820
111 2HE LYS 16 2HE LYS 16 -11.339 -4.570 -1.215
112 1HZ LYS 16 1HZ LYS 16 -14.033 -4.066 -0.050
113 2HZ LYS 16 2HZ LYS 16 -12.867 -5.049 0.585
114 3HZ LYS 16 3HZ LYS 16 -12.624 -3.415 0.515
115 HA PRO 17 HA PRO 17 -6.231 -2.681 -6.090
116 1HB PRO 17 1HB PRO 17 -4.850 -0.894 -4.008
117 2HB PRO 17 2HB PRO 17 -4.805 -0.778 -5.780
118 1HG PRO 17 2HG PRO 17 -6.480 0.841 -4.383
119 2HG PRO 17 1HG PRO 17 -7.080 0.061 -5.866
120 1HD PRO 17 1HD PRO 17 -7.606 -0.739 -2.963
121 2HD PRO 17 2HD PRO 17 -8.724 -0.704 -4.354
122 H CYS 18 H CYS 18 -5.331 -3.035 -2.617
123 HA CYS 18 HA CYS 18 -2.926 -4.669 -3.049
124 1HB CYS 18 1HB CYS 18 -4.770 -4.415 -0.586
125 2HB CYS 18 2HB CYS 18 -3.243 -5.308 -0.602
126 H LYS 19 H LYS 19 -6.271 -5.703 -2.181
127 HA LYS 19 HA LYS 19 -5.800 -8.580 -2.357
128 1HB LYS 19 2HB LYS 19 -7.702 -7.388 -1.172
129 2HB LYS 19 1HB LYS 19 -8.414 -6.977 -2.723
130 1HG LYS 19 1HG LYS 19 -8.769 -9.433 -3.213
131 2HG LYS 19 2HG LYS 19 -7.919 -9.857 -1.734
132 1HD LYS 19 1HD LYS 19 -10.268 -10.078 -1.297
133 2HD LYS 19 2HD LYS 19 -9.683 -8.714 -0.350
134 1HE LYS 19 1HE LYS 19 -10.659 -7.102 -2.070
135 2HE LYS 19 2HE LYS 19 -11.201 -8.475 -3.048
136 1HZ LYS 19 2HZ LYS 19 -12.604 -9.170 -1.172
137 2HZ LYS 19 3HZ LYS 19 -12.094 -7.888 -0.265
138 3HZ LYS 19 1HZ LYS 19 -12.972 -7.630 -1.639
139 H ASP 20 H ASP 20 -7.095 -6.343 -4.838
140 HA ASP 20 HA ASP 20 -7.449 -8.255 -6.997
141 1HB ASP 20 1HB ASP 20 -8.363 -5.876 -6.878
142 2HB ASP 20 2HB ASP 20 -6.758 -5.248 -7.202
143 H ALA 21 H ALA 21 -4.479 -6.420 -6.121
144 HA ALA 21 HA ALA 21 -2.788 -7.464 -8.322
145 1HB ALA 21 2HB ALA 21 -2.142 -5.418 -7.041
146 2HB ALA 21 3HB ALA 21 -1.970 -6.367 -5.545
147 3HB ALA 21 1HB ALA 21 -0.874 -6.654 -6.915
148 H GLY 22 H GLY 22 -3.170 -8.490 -4.909
149 1HA GLY 22 1HA GLY 22 -3.453 -11.105 -4.751
150 2HA GLY 22 2HA GLY 22 -1.880 -11.217 -5.531
151 H MET 23 H MET 23 -3.254 -9.270 -2.853
152 HA MET 23 HA MET 23 -1.113 -10.282 -0.925
153 1HB MET 23 1HB MET 23 -1.621 -7.284 -1.541
154 2HB MET 23 2HB MET 23 -0.637 -7.892 -0.221
155 1HG MET 23 2HG MET 23 0.837 -9.126 -1.972
156 2HG MET 23 1HG MET 23 -0.009 -8.165 -3.201
157 1HE MET 23 3HE MET 23 1.975 -6.832 -4.116
158 2HE MET 23 2HE MET 23 3.252 -6.100 -3.104
159 3HE MET 23 1HE MET 23 3.056 -7.877 -3.140
160 H ARG 24 H ARG 24 -1.494 -9.220 1.277
161 HA ARG 24 HA ARG 24 -4.093 -10.450 2.112
162 1HB ARG 24 1HB ARG 24 -1.912 -9.275 3.940
163 2HB ARG 24 2HB ARG 24 -3.306 -10.218 4.440
164 1HG ARG 24 1HG ARG 24 -2.403 -12.197 3.100
165 2HG ARG 24 2HG ARG 24 -0.970 -11.231 2.727
166 1HD ARG 24 2HD ARG 24 -0.523 -10.959 5.223
167 2HD ARG 24 1HD ARG 24 -1.901 -11.987 5.589
168 HE ARG 24 HE ARG 24 0.790 -12.847 4.573
169 1HH1 ARG 24 2HH2 ARG 24 -2.584 -13.908 4.939
170 2HH1 ARG 24 1HH2 ARG 24 -2.057 -15.661 4.818
171 1HH2 ARG 24 1HH1 ARG 24 1.273 -14.868 4.448
172 2HH2 ARG 24 2HH1 ARG 24 -0.021 -16.165 4.558
173 H PHE 25 H PHE 25 -2.571 -7.311 3.035
174 HA PHE 25 HA PHE 25 -5.381 -6.136 3.458
175 1HB PHE 25 1HB PHE 25 -2.919 -5.622 5.255
176 2HB PHE 25 2HB PHE 25 -4.514 -4.961 5.470
177 HD1 PHE 25 HD2 PHE 25 -6.517 -6.597 5.929
178 HD2 PHE 25 HD1 PHE 25 -2.391 -7.762 6.303
179 HE1 PHE 25 HE2 PHE 25 -7.172 -8.512 7.331
180 HE2 PHE 25 HE1 PHE 25 -3.064 -9.670 7.699
181 HZ PHE 25 HZ PHE 25 -5.452 -10.052 8.214
182 H GLY 26 H GLY 26 -5.433 -3.867 3.560
183 1HA GLY 26 1HA GLY 26 -3.406 -2.368 1.758
184 2HA GLY 26 2HA GLY 26 -5.130 -2.068 1.701
185 H LYS 27 H LYS 27 -2.233 -1.659 3.544
186 HA LYS 27 HA LYS 27 -3.648 0.061 5.674
187 1HB LYS 27 1HB LYS 27 -0.877 -1.310 5.730
188 2HB LYS 27 2HB LYS 27 -1.476 -0.205 6.958
189 1HG LYS 27 1HG LYS 27 -3.346 -1.758 7.547
190 2HG LYS 27 2HG LYS 27 -2.904 -2.836 6.233
191 1HD LYS 27 1HD LYS 27 -2.071 -3.843 8.211
192 2HD LYS 27 2HD LYS 27 -0.672 -3.293 7.299
193 1HE LYS 27 1HE LYS 27 -0.476 -1.263 8.840
194 2HE LYS 27 2HE LYS 27 -1.907 -1.806 9.728
195 1HZ LYS 27 3HZ LYS 27 -0.692 -3.846 10.311
196 2HZ LYS 27 1HZ LYS 27 0.642 -3.334 9.481
197 3HZ LYS 27 2HZ LYS 27 0.132 -2.506 10.818
198 H CYS 28 H CYS 28 -3.633 2.108 5.015
199 HA CYS 28 HA CYS 28 -1.570 3.026 3.032
200 1HB CYS 28 1HB CYS 28 -4.090 3.363 2.683
201 2HB CYS 28 2HB CYS 28 -3.989 4.705 3.838
202 H MET 29 H MET 29 0.031 4.287 3.445
203 HA MET 29 HA MET 29 0.336 5.896 6.019
204 1HB MET 29 1HB MET 29 2.291 5.404 3.673
205 2HB MET 29 2HB MET 29 2.640 6.410 5.069
206 1HG MET 29 1HG MET 29 2.343 4.434 6.629
207 2HG MET 29 2HG MET 29 2.089 3.394 5.220
208 1HE MET 29 3HE MET 29 4.672 5.029 7.572
209 2HE MET 29 2HE MET 29 6.121 5.279 6.553
210 3HE MET 29 1HE MET 29 4.693 6.334 6.344
211 H ASN 30 H ASN 30 1.753 8.122 4.886
212 HA ASN 30 HA ASN 30 -0.567 9.898 4.680
213 1HB ASN 30 1HB ASN 30 2.424 10.530 4.243
214 2HB ASN 30 2HB ASN 30 1.157 11.738 4.283
215 1HD2 ASN 30 1HD2 ASN 30 2.530 10.506 7.859
216 2HD2 ASN 30 2HD2 ASN 30 3.261 9.922 6.274
217 H ARG 31 H ARG 31 -1.781 9.626 3.020
218 HA ARG 31 HA ARG 31 -2.686 9.437 0.891
219 1HB ARG 31 1HB ARG 31 -0.572 11.538 0.129
220 2HB ARG 31 2HB ARG 31 -1.912 11.036 -0.896
221 1HG ARG 31 1HG ARG 31 -3.544 11.694 0.966
222 2HG ARG 31 2HG ARG 31 -2.189 12.414 1.832
223 1HD ARG 31 1HD ARG 31 -1.753 13.974 -0.086
224 2HD ARG 31 2HD ARG 31 -3.010 13.216 -1.053
225 HE ARG 31 HE ARG 31 -3.402 15.142 1.224
226 1HH1 ARG 31 2HH2 ARG 31 -5.055 12.745 -0.823
227 2HH1 ARG 31 1HH2 ARG 31 -6.676 13.509 -0.430
228 1HH2 ARG 31 1HH1 ARG 31 -5.299 15.925 1.599
229 2HH2 ARG 31 2HH1 ARG 31 -6.802 15.186 0.849
230 H LYS 32 H LYS 32 -0.467 7.441 1.468
231 HA LYS 32 HA LYS 32 -0.136 6.485 -1.429
232 1HB LYS 32 1HB LYS 32 2.194 6.761 0.595
233 2HB LYS 32 2HB LYS 32 2.256 5.770 -0.859
234 1HG LYS 32 1HG LYS 32 1.820 7.824 -2.292
235 2HG LYS 32 2HG LYS 32 1.831 8.808 -0.837
236 1HD LYS 32 1HD LYS 32 3.988 9.048 -1.804
237 2HD LYS 32 2HD LYS 32 4.211 8.084 -0.350
238 1HE LYS 32 1HE LYS 32 4.343 5.971 -1.782
239 2HE LYS 32 2HE LYS 32 4.068 6.943 -3.235
240 1HZ LYS 32 3HZ LYS 32 6.137 8.145 -2.742
241 2HZ LYS 32 1HZ LYS 32 6.386 7.239 -1.383
242 3HZ LYS 32 2HZ LYS 32 6.419 6.523 -2.872
243 H CYS 33 H CYS 33 -0.876 4.516 -1.539
244 HA CYS 33 HA CYS 33 -1.560 2.784 0.692
245 1HB CYS 33 1HB CYS 33 -1.284 2.238 -2.326
246 2HB CYS 33 2HB CYS 33 -1.869 1.009 -1.191
247 H HIS 34 H HIS 34 -0.495 1.234 1.791
248 HA HIS 34 HA HIS 34 2.016 -0.066 0.583
249 1HB HIS 34 1HB HIS 34 1.583 0.803 3.504
250 2HB HIS 34 2HB HIS 34 2.700 -0.465 3.060
251 HD1 HIS 34 HD1 HIS 34 5.118 0.227 2.227
252 HD2 HIS 34 HD2 HIS 34 2.188 3.363 2.314
253 HE1 HIS 34 HE1 HIS 34 6.228 2.507 1.776
254 HE2 HIS 34 HE2 HIS 34 4.551 4.465 1.800
255 H CYS 35 H CYS 35 1.378 -1.963 -0.042
256 HA CYS 35 HA CYS 35 -0.871 -3.475 1.221
257 1HB CYS 35 1HB CYS 35 1.005 -4.239 -1.107
258 2HB CYS 35 2HB CYS 35 -0.423 -5.162 -0.578
259 H THR 36 H THR 36 -0.730 -5.356 2.381
260 HA THR 36 HA THR 36 1.932 -6.062 3.672
261 HB THR 36 HB THR 36 -0.919 -6.953 4.401
262 HG1 THR 36 HG1 THR 36 -0.450 -4.758 4.718
263 1HG2 THR 36 3HG2 THR 36 1.722 -7.313 5.970
264 2HG2 THR 36 1HG2 THR 36 0.086 -7.671 6.581
265 3HG2 THR 36 2HG2 THR 36 0.758 -8.624 5.240
266 HA PRO 37 HA PRO 37 1.651 -9.200 0.286
267 1HB PRO 37 1HB PRO 37 4.244 -10.175 0.256
268 2HB PRO 37 2HB PRO 37 3.798 -8.554 -0.288
269 1HG PRO 37 1HG PRO 37 4.920 -9.354 2.448
270 2HG PRO 37 2HG PRO 37 5.477 -8.042 1.380
271 1HD PRO 37 1HD PRO 37 3.743 -7.578 3.493
272 2HD PRO 37 2HD PRO 37 3.636 -6.633 1.981
273 H LYS 38 H LYS 38 1.319 -11.329 -0.048
274 HA LYS 38 HA LYS 38 1.258 -13.207 2.354
275 1HB LYS 38 1HB LYS 38 -0.228 -14.662 1.118
276 2HB LYS 38 2HB LYS 38 -0.873 -13.051 1.286
277 1HG LYS 38 1HG LYS 38 -0.284 -12.551 -1.140
278 2HG LYS 38 2HG LYS 38 0.372 -14.171 -1.298
279 1HD LYS 38 1HD LYS 38 -1.802 -14.229 -2.264
280 2HD LYS 38 2HD LYS 38 -1.889 -15.167 -0.777
281 1HE LYS 38 1HE LYS 38 -3.008 -13.184 0.390
282 2HE LYS 38 2HE LYS 38 -2.873 -12.244 -1.099
283 1HZ LYS 38 1HZ LYS 38 -4.290 -13.887 -2.204
284 2HZ LYS 38 2HZ LYS 38 -4.413 -14.773 -0.817
285 3HZ LYS 38 3HZ LYS 38 -5.051 -13.253 -0.883
No H/Q in entry = 285
Start of MODEL 9
Raw file had 289 H/Q atoms
Start of MODEL 9
1 1H GLY 1 3H GLY 1 6.121 -4.574 3.741
2 2H GLY 1 1H GLY 1 4.775 -4.340 4.670
3 3H GLY 1 2H GLY 1 4.631 -4.981 3.154
4 1HA GLY 1 2HA GLY 1 3.921 -2.632 3.189
5 2HA GLY 1 1HA GLY 1 5.515 -2.206 3.805
6 H VAL 2 H VAL 2 3.712 -3.236 1.036
7 HA VAL 2 HA VAL 2 6.136 -2.940 -0.827
8 HB VAL 2 HB VAL 2 3.486 -4.402 -1.337
9 1HG1 VAL 2 1HG2 VAL 2 5.924 -4.070 -3.216
10 2HG1 VAL 2 2HG2 VAL 2 4.528 -5.138 -3.511
11 3HG1 VAL 2 3HG2 VAL 2 4.303 -3.384 -3.473
12 1HG2 VAL 2 2HG1 VAL 2 5.055 -5.711 0.145
13 2HG2 VAL 2 3HG1 VAL 2 4.884 -6.473 -1.443
14 3HG2 VAL 2 1HG1 VAL 2 6.353 -5.540 -1.055
15 HA PRO 3 HA PRO 3 3.684 0.992 -1.301
16 1HB PRO 3 1HB PRO 3 5.592 2.584 -2.537
17 2HB PRO 3 2HB PRO 3 5.571 2.187 -0.817
18 1HG PRO 3 1HG PRO 3 7.216 0.847 -3.013
19 2HG PRO 3 2HG PRO 3 7.771 1.405 -1.417
20 1HD PRO 3 2HD PRO 3 7.132 -1.240 -1.910
21 2HD PRO 3 1HD PRO 3 6.815 -0.503 -0.309
22 H ILE 4 H ILE 4 2.087 0.594 -2.678
23 HA ILE 4 HA ILE 4 2.556 0.456 -5.694
24 HB ILE 4 HB ILE 4 0.208 -0.121 -5.972
25 1HG1 ILE 4 1HG1 ILE 4 -0.111 -0.418 -2.920
26 2HG1 ILE 4 2HG1 ILE 4 -0.715 0.932 -3.864
27 1HG2 ILE 4 2HG2 ILE 4 1.941 -1.918 -5.823
28 2HG2 ILE 4 3HG2 ILE 4 1.604 -2.115 -4.085
29 3HG2 ILE 4 1HG2 ILE 4 0.352 -2.489 -5.293
30 1HD1 ILE 4 2HD1 ILE 4 -2.173 -0.577 -5.229
31 2HD1 ILE 4 3HD1 ILE 4 -1.684 -1.957 -4.210
32 3HD1 ILE 4 1HD1 ILE 4 -2.566 -0.589 -3.494
33 H ASN 5 H ASN 5 1.724 1.987 -7.016
34 HA ASN 5 HA ASN 5 1.475 4.735 -5.860
35 1HB ASN 5 1HB ASN 5 1.607 5.605 -8.107
36 2HB ASN 5 2HB ASN 5 2.912 4.509 -7.727
37 1HD2 ASN 5 1HD2 ASN 5 2.118 2.296 -10.470
38 2HD2 ASN 5 2HD2 ASN 5 3.070 2.494 -8.909
39 H VAL 6 H VAL 6 -0.400 4.650 -4.733
40 HA VAL 6 HA VAL 6 -2.969 5.148 -6.276
41 HB VAL 6 HB VAL 6 -2.764 3.058 -4.010
42 1HG1 VAL 6 3HG2 VAL 6 -4.863 4.417 -3.707
43 2HG1 VAL 6 1HG2 VAL 6 -5.335 4.085 -5.394
44 3HG1 VAL 6 2HG2 VAL 6 -5.233 2.765 -4.199
45 1HG2 VAL 6 1HG1 VAL 6 -3.663 2.712 -6.947
46 2HG2 VAL 6 2HG1 VAL 6 -2.189 2.040 -6.204
47 3HG2 VAL 6 3HG1 VAL 6 -3.772 1.461 -5.679
48 H SER 7 H SER 7 -3.509 7.081 -5.608
49 HA SER 7 HA SER 7 -2.386 8.313 -3.138
50 1HB SER 7 1HB SER 7 -3.421 10.423 -3.876
51 2HB SER 7 2HB SER 7 -2.445 9.670 -5.136
52 HG SER 7 HG SER 7 -4.382 8.836 -6.032
53 H CYS 8 H CYS 8 -3.276 8.160 -1.231
54 HA CYS 8 HA CYS 8 -6.136 7.214 -0.889
55 1HB CYS 8 1HB CYS 8 -3.978 7.629 1.291
56 2HB CYS 8 2HB CYS 8 -5.512 6.791 1.478
57 H THR 9 H THR 9 -7.530 7.976 0.575
58 HA THR 9 HA THR 9 -7.259 10.815 1.690
59 HB THR 9 HB THR 9 -9.142 10.728 0.140
60 HG1 THR 9 HG1 THR 9 -9.855 10.932 2.863
61 1HG2 THR 9 3HG2 THR 9 -10.535 8.720 2.030
62 2HG2 THR 9 1HG2 THR 9 -11.296 9.615 0.692
63 3HG2 THR 9 2HG2 THR 9 -10.044 8.409 0.344
64 H GLY 10 H GLY 10 -8.160 7.434 2.397
65 1HA GLY 10 1HA GLY 10 -7.047 7.727 5.178
66 2HA GLY 10 2HA GLY 10 -8.725 7.163 5.114
67 H SER 11 H SER 11 -7.616 5.322 6.184
68 HA SER 11 HA SER 11 -5.872 3.459 4.691
69 1HB SER 11 1HB SER 11 -7.492 2.969 7.258
70 2HB SER 11 2HB SER 11 -6.371 1.813 6.537
71 HG SER 11 HG SER 11 -5.394 3.108 8.092
72 HA PRO 12 HA PRO 12 -9.923 0.710 3.798
73 1HB PRO 12 1HB PRO 12 -11.827 3.058 3.275
74 2HB PRO 12 2HB PRO 12 -12.212 1.401 3.789
75 1HG PRO 12 2HG PRO 12 -12.155 3.371 5.645
76 2HG PRO 12 1HG PRO 12 -11.384 1.814 6.034
77 1HD PRO 12 1HD PRO 12 -10.028 4.405 5.110
78 2HD PRO 12 2HD PRO 12 -9.542 3.282 6.412
79 H GLN 13 H GLN 13 -9.031 3.646 2.064
80 HA GLN 13 HA GLN 13 -9.968 3.000 -0.613
81 1HB GLN 13 1HB GLN 13 -7.431 4.568 0.215
82 2HB GLN 13 2HB GLN 13 -8.079 4.513 -1.416
83 1HG GLN 13 1HG GLN 13 -9.529 5.721 1.010
84 2HG GLN 13 2HG GLN 13 -8.630 6.602 -0.200
85 1HE2 GLN 13 1HE2 GLN 13 -11.345 6.475 -2.595
86 2HE2 GLN 13 2HE2 GLN 13 -9.551 6.806 -2.358
87 H CYS 14 H CYS 14 -6.863 2.071 0.922
88 HA CYS 14 HA CYS 14 -5.766 0.776 -1.502
89 1HB CYS 14 1HB CYS 14 -4.924 0.477 1.457
90 2HB CYS 14 2HB CYS 14 -3.933 0.077 0.040
91 H ILE 15 H ILE 15 -8.096 -0.562 0.771
92 HA ILE 15 HA ILE 15 -7.260 -3.306 0.869
93 HB ILE 15 HB ILE 15 -10.144 -2.254 0.824
94 1HG1 ILE 15 2HG1 ILE 15 -8.870 -1.129 2.616
95 2HG1 ILE 15 1HG1 ILE 15 -10.175 -2.106 3.198
96 1HG2 ILE 15 3HG2 ILE 15 -9.131 -4.982 1.847
97 2HG2 ILE 15 1HG2 ILE 15 -10.772 -4.336 2.113
98 3HG2 ILE 15 2HG2 ILE 15 -10.217 -4.690 0.474
99 1HD1 ILE 15 3HD1 ILE 15 -7.196 -2.927 3.298
100 2HD1 ILE 15 1HD1 ILE 15 -8.144 -2.284 4.657
101 3HD1 ILE 15 2HD1 ILE 15 -8.536 -3.881 3.979
102 H LYS 16 H LYS 16 -9.599 -1.931 -1.574
103 HA LYS 16 HA LYS 16 -9.820 -4.336 -3.162
104 1HB LYS 16 1HB LYS 16 -10.345 -1.363 -3.778
105 2HB LYS 16 2HB LYS 16 -10.487 -2.586 -5.003
106 1HG LYS 16 1HG LYS 16 -12.664 -2.262 -4.243
107 2HG LYS 16 2HG LYS 16 -12.197 -3.844 -3.645
108 1HD LYS 16 1HD LYS 16 -11.827 -2.895 -1.350
109 2HD LYS 16 2HD LYS 16 -12.155 -1.265 -1.919
110 1HE LYS 16 1HE LYS 16 -14.201 -3.597 -1.965
111 2HE LYS 16 2HE LYS 16 -14.058 -2.420 -0.663
112 1HZ LYS 16 2HZ LYS 16 -14.606 -0.649 -2.240
113 2HZ LYS 16 3HZ LYS 16 -14.746 -1.737 -3.477
114 3HZ LYS 16 1HZ LYS 16 -15.797 -1.793 -2.203
115 HA PRO 17 HA PRO 17 -6.294 -2.931 -6.221
116 1HB PRO 17 1HB PRO 17 -4.390 -1.058 -5.416
117 2HB PRO 17 2HB PRO 17 -5.872 -0.663 -6.282
118 1HG PRO 17 1HG PRO 17 -5.421 -0.512 -3.293
119 2HG PRO 17 2HG PRO 17 -6.130 0.724 -4.360
120 1HD PRO 17 1HD PRO 17 -7.746 -0.898 -2.912
121 2HD PRO 17 2HD PRO 17 -8.208 -0.499 -4.586
122 H CYS 18 H CYS 18 -5.140 -2.860 -2.780
123 HA CYS 18 HA CYS 18 -2.782 -4.561 -3.179
124 1HB CYS 18 1HB CYS 18 -4.507 -4.030 -0.674
125 2HB CYS 18 2HB CYS 18 -3.055 -5.027 -0.652
126 H LYS 19 H LYS 19 -6.029 -5.502 -1.947
127 HA LYS 19 HA LYS 19 -5.542 -8.350 -1.786
128 1HB LYS 19 2HB LYS 19 -7.285 -7.057 -0.584
129 2HB LYS 19 1HB LYS 19 -8.169 -6.761 -2.059
130 1HG LYS 19 2HG LYS 19 -7.661 -9.609 -1.006
131 2HG LYS 19 1HG LYS 19 -8.916 -8.596 -0.327
132 1HD LYS 19 1HD LYS 19 -8.808 -9.493 -3.263
133 2HD LYS 19 2HD LYS 19 -9.791 -10.193 -1.982
134 1HE LYS 19 1HE LYS 19 -11.029 -7.979 -1.715
135 2HE LYS 19 2HE LYS 19 -10.091 -7.307 -3.057
136 1HZ LYS 19 2HZ LYS 19 -11.880 -9.675 -3.251
137 2HZ LYS 19 3HZ LYS 19 -12.210 -8.156 -3.813
138 3HZ LYS 19 1HZ LYS 19 -10.998 -9.046 -4.498
139 H ASP 20 H ASP 20 -7.313 -6.622 -4.400
140 HA ASP 20 HA ASP 20 -7.521 -8.965 -6.153
141 1HB ASP 20 1HB ASP 20 -7.705 -5.966 -6.873
142 2HB ASP 20 2HB ASP 20 -8.036 -7.259 -8.005
143 H ALA 21 H ALA 21 -4.831 -6.614 -5.924
144 HA ALA 21 HA ALA 21 -3.437 -7.521 -8.376
145 1HB ALA 21 2HB ALA 21 -2.847 -5.350 -7.334
146 2HB ALA 21 3HB ALA 21 -2.288 -6.162 -5.850
147 3HB ALA 21 1HB ALA 21 -1.418 -6.399 -7.382
148 H GLY 22 H GLY 22 -2.893 -8.379 -4.928
149 1HA GLY 22 2HA GLY 22 -2.743 -11.117 -5.001
150 2HA GLY 22 1HA GLY 22 -1.159 -10.765 -5.687
151 H MET 23 H MET 23 -2.948 -9.212 -3.004
152 HA MET 23 HA MET 23 -0.871 -10.194 -0.976
153 1HB MET 23 1HB MET 23 -1.762 -7.238 -1.336
154 2HB MET 23 2HB MET 23 -0.844 -7.851 0.016
155 1HG MET 23 1HG MET 23 0.910 -7.047 -1.187
156 2HG MET 23 2HG MET 23 0.923 -8.690 -1.822
157 1HE MET 23 3HE MET 23 2.426 -7.426 -3.753
158 2HE MET 23 2HE MET 23 1.767 -6.155 -4.829
159 3HE MET 23 1HE MET 23 2.055 -5.802 -3.100
160 H ARG 24 H ARG 24 -1.611 -9.298 1.259
161 HA ARG 24 HA ARG 24 -4.303 -10.615 1.791
162 1HB ARG 24 1HB ARG 24 -2.155 -9.721 3.802
163 2HB ARG 24 2HB ARG 24 -3.679 -10.487 4.212
164 1HG ARG 24 1HG ARG 24 -3.042 -12.549 2.948
165 2HG ARG 24 2HG ARG 24 -1.505 -11.828 2.495
166 1HD ARG 24 2HD ARG 24 -2.398 -12.341 5.415
167 2HD ARG 24 1HD ARG 24 -1.404 -13.442 4.454
168 HE ARG 24 HE ARG 24 -0.110 -10.809 4.473
169 1HH1 ARG 24 2HH2 ARG 24 -0.702 -13.568 6.635
170 2HH1 ARG 24 1HH2 ARG 24 0.811 -13.162 7.591
171 1HH2 ARG 24 1HH1 ARG 24 1.591 -10.440 5.631
172 2HH2 ARG 24 2HH1 ARG 24 2.019 -11.511 7.059
173 H PHE 25 H PHE 25 -2.664 -7.623 2.990
174 HA PHE 25 HA PHE 25 -5.435 -6.333 3.320
175 1HB PHE 25 1HB PHE 25 -3.005 -5.866 5.164
176 2HB PHE 25 2HB PHE 25 -4.613 -5.236 5.361
177 HD1 PHE 25 HD2 PHE 25 -6.590 -6.894 5.803
178 HD2 PHE 25 HD1 PHE 25 -2.456 -8.049 6.123
179 HE1 PHE 25 HE2 PHE 25 -7.227 -8.857 7.148
180 HE2 PHE 25 HE1 PHE 25 -3.111 -10.002 7.461
181 HZ PHE 25 HZ PHE 25 -5.494 -10.414 7.975
182 H GLY 26 H GLY 26 -5.434 -4.066 3.437
183 1HA GLY 26 1HA GLY 26 -3.337 -2.595 1.696
184 2HA GLY 26 2HA GLY 26 -5.058 -2.325 1.528
185 H LYS 27 H LYS 27 -2.277 -1.690 3.422
186 HA LYS 27 HA LYS 27 -3.846 0.045 5.410
187 1HB LYS 27 1HB LYS 27 -1.895 -0.197 6.975
188 2HB LYS 27 2HB LYS 27 -2.921 -1.573 6.718
189 1HG LYS 27 2HG LYS 27 -0.932 -2.640 6.835
190 2HG LYS 27 1HG LYS 27 -1.080 -2.528 5.100
191 1HD LYS 27 1HD LYS 27 0.491 -0.468 5.191
192 2HD LYS 27 2HD LYS 27 0.628 -0.721 6.930
193 1HE LYS 27 1HE LYS 27 1.545 -3.079 6.468
194 2HE LYS 27 2HE LYS 27 1.445 -2.753 4.731
195 1HZ LYS 27 3HZ LYS 27 3.001 -0.898 5.053
196 2HZ LYS 27 1HZ LYS 27 3.091 -1.205 6.674
197 3HZ LYS 27 2HZ LYS 27 3.658 -2.316 5.591
198 H CYS 28 H CYS 28 -3.709 2.102 5.001
199 HA CYS 28 HA CYS 28 -1.640 3.060 3.016
200 1HB CYS 28 1HB CYS 28 -4.192 3.350 2.647
201 2HB CYS 28 2HB CYS 28 -4.084 4.719 3.763
202 H MET 29 H MET 29 -0.089 4.352 3.487
203 HA MET 29 HA MET 29 0.162 5.905 6.094
204 1HB MET 29 1HB MET 29 2.072 5.392 3.710
205 2HB MET 29 2HB MET 29 2.431 6.580 4.939
206 1HG MET 29 1HG MET 29 3.611 4.555 5.504
207 2HG MET 29 2HG MET 29 2.411 4.910 6.758
208 1HE MET 29 1HE MET 29 2.725 2.496 7.684
209 2HE MET 29 3HE MET 29 2.411 0.997 6.766
210 3HE MET 29 2HE MET 29 3.850 1.987 6.383
211 H ASN 30 H ASN 30 1.436 8.225 5.140
212 HA ASN 30 HA ASN 30 -0.940 9.914 4.828
213 1HB ASN 30 1HB ASN 30 2.044 10.662 4.628
214 2HB ASN 30 2HB ASN 30 0.740 11.833 4.570
215 1HD2 ASN 30 1HD2 ASN 30 0.154 11.714 8.128
216 2HD2 ASN 30 2HD2 ASN 30 -0.535 12.222 6.498
217 H ARG 31 H ARG 31 -2.025 9.633 3.081
218 HA ARG 31 HA ARG 31 -2.785 9.511 0.896
219 1HB ARG 31 1HB ARG 31 -0.597 11.573 0.230
220 2HB ARG 31 2HB ARG 31 -1.953 11.129 -0.800
221 1HG ARG 31 1HG ARG 31 -3.550 11.852 1.090
222 2HG ARG 31 2HG ARG 31 -2.155 12.530 1.922
223 1HD ARG 31 1HD ARG 31 -1.693 14.048 -0.026
224 2HD ARG 31 2HD ARG 31 -3.003 13.332 -0.955
225 HE ARG 31 HE ARG 31 -3.260 15.302 1.301
226 1HH1 ARG 31 2HH2 ARG 31 -5.061 12.936 -0.655
227 2HH1 ARG 31 1HH2 ARG 31 -6.641 13.769 -0.230
228 1HH2 ARG 31 1HH1 ARG 31 -5.113 16.165 1.717
229 2HH2 ARG 31 2HH1 ARG 31 -6.664 15.472 1.021
230 H LYS 32 H LYS 32 -0.570 7.515 1.597
231 HA LYS 32 HA LYS 32 -0.001 6.627 -1.290
232 1HB LYS 32 1HB LYS 32 2.136 6.890 0.935
233 2HB LYS 32 2HB LYS 32 2.359 5.976 -0.556
234 1HG LYS 32 1HG LYS 32 1.976 8.059 -1.922
235 2HG LYS 32 2HG LYS 32 1.831 9.002 -0.437
236 1HD LYS 32 1HD LYS 32 4.153 8.312 0.250
237 2HD LYS 32 2HD LYS 32 4.339 7.364 -1.219
238 1HE LYS 32 1HE LYS 32 3.863 10.428 -1.154
239 2HE LYS 32 2HE LYS 32 5.446 9.662 -1.252
240 1HZ LYS 32 1HZ LYS 32 4.795 8.655 -3.371
241 2HZ LYS 32 2HZ LYS 32 3.304 9.364 -3.297
242 3HZ LYS 32 3HZ LYS 32 4.658 10.301 -3.435
243 H CYS 33 H CYS 33 -0.746 4.668 -1.502
244 HA CYS 33 HA CYS 33 -1.487 2.840 0.640
245 1HB CYS 33 1HB CYS 33 -1.169 2.468 -2.398
246 2HB CYS 33 2HB CYS 33 -1.704 1.143 -1.350
247 H HIS 34 H HIS 34 -0.513 1.183 1.631
248 HA HIS 34 HA HIS 34 2.032 -0.073 0.464
249 1HB HIS 34 1HB HIS 34 1.577 0.728 3.409
250 2HB HIS 34 2HB HIS 34 2.728 -0.501 2.929
251 HD1 HIS 34 HD1 HIS 34 5.114 0.257 2.018
252 HD2 HIS 34 HD2 HIS 34 2.170 3.346 2.487
253 HE1 HIS 34 HE1 HIS 34 6.202 2.579 1.777
254 HE2 HIS 34 HE2 HIS 34 4.516 4.512 2.041
255 H CYS 35 H CYS 35 1.506 -2.044 -0.049
256 HA CYS 35 HA CYS 35 -0.821 -3.504 1.146
257 1HB CYS 35 1HB CYS 35 1.206 -4.476 -0.970
258 2HB CYS 35 2HB CYS 35 -0.338 -5.237 -0.527
259 H THR 36 H THR 36 -0.736 -5.484 2.194
260 HA THR 36 HA THR 36 1.862 -6.191 3.674
261 HB THR 36 HB THR 36 -1.036 -6.865 4.430
262 HG1 THR 36 HG1 THR 36 -0.456 -4.680 4.625
263 1HG2 THR 36 3HG2 THR 36 1.585 -7.266 6.025
264 2HG2 THR 36 1HG2 THR 36 -0.065 -7.509 6.650
265 3HG2 THR 36 2HG2 THR 36 0.556 -8.563 5.364
266 HA PRO 37 HA PRO 37 1.232 -9.446 0.370
267 1HB PRO 37 1HB PRO 37 3.841 -10.401 0.138
268 2HB PRO 37 2HB PRO 37 3.276 -8.870 -0.539
269 1HG PRO 37 2HG PRO 37 4.722 -9.301 2.130
270 2HG PRO 37 1HG PRO 37 5.129 -8.135 0.847
271 1HD PRO 37 1HD PRO 37 3.658 -7.370 3.031
272 2HD PRO 37 2HD PRO 37 3.263 -6.710 1.413
273 H LYS 38 H LYS 38 1.097 -11.643 0.171
274 HA LYS 38 HA LYS 38 0.707 -13.174 2.713
275 1HB LYS 38 1HB LYS 38 -0.849 -13.166 0.638
276 2HB LYS 38 2HB LYS 38 0.307 -14.177 -0.185
277 1HG LYS 38 1HG LYS 38 -1.162 -14.842 2.455
278 2HG LYS 38 2HG LYS 38 -1.708 -15.325 0.867
279 1HD LYS 38 1HD LYS 38 0.859 -16.324 2.245
280 2HD LYS 38 2HD LYS 38 -0.667 -17.178 2.129
281 1HE LYS 38 1HE LYS 38 -0.468 -17.255 -0.404
282 2HE LYS 38 2HE LYS 38 1.085 -16.414 -0.306
283 1HZ LYS 38 3HZ LYS 38 0.499 -19.059 0.931
284 2HZ LYS 38 1HZ LYS 38 1.387 -18.801 -0.438
285 3HZ LYS 38 2HZ LYS 38 1.946 -18.269 1.022
No H/Q in entry = 285
Start of MODEL 10
Raw file had 289 H/Q atoms
Start of MODEL 10
1 1H GLY 1 1H GLY 1 5.566 -4.044 4.927
2 2H GLY 1 2H GLY 1 4.020 -4.111 5.506
3 3H GLY 1 3H GLY 1 4.377 -4.755 4.027
4 1HA GLY 1 1HA GLY 1 3.204 -2.607 3.798
5 2HA GLY 1 2HA GLY 1 4.481 -1.863 4.749
6 H VAL 2 H VAL 2 3.744 -3.420 1.690
7 HA VAL 2 HA VAL 2 6.390 -2.536 0.481
8 HB VAL 2 HB VAL 2 5.830 -3.829 -1.538
9 1HG1 VAL 2 3HG2 VAL 2 7.289 -4.773 0.259
10 2HG1 VAL 2 1HG2 VAL 2 5.875 -5.521 1.038
11 3HG1 VAL 2 2HG2 VAL 2 6.387 -6.044 -0.586
12 1HG2 VAL 2 2HG1 VAL 2 3.337 -4.054 -1.475
13 2HG2 VAL 2 3HG1 VAL 2 4.107 -5.646 -1.512
14 3HG2 VAL 2 1HG1 VAL 2 3.438 -5.023 0.011
15 HA PRO 3 HA PRO 3 3.919 1.072 -0.812
16 1HB PRO 3 1HB PRO 3 5.847 2.560 -2.158
17 2HB PRO 3 2HB PRO 3 5.772 2.360 -0.407
18 1HG PRO 3 1HG PRO 3 7.513 0.806 -2.376
19 2HG PRO 3 2HG PRO 3 8.004 1.566 -0.842
20 1HD PRO 3 1HD PRO 3 7.435 -1.129 -1.011
21 2HD PRO 3 2HD PRO 3 7.022 -0.202 0.464
22 H ILE 4 H ILE 4 2.392 0.771 -2.242
23 HA ILE 4 HA ILE 4 3.048 0.514 -5.229
24 HB ILE 4 HB ILE 4 0.841 -0.301 -5.714
25 1HG1 ILE 4 2HG1 ILE 4 0.198 -0.591 -2.715
26 2HG1 ILE 4 1HG1 ILE 4 -0.425 0.669 -3.767
27 1HG2 ILE 4 2HG2 ILE 4 2.711 -1.925 -5.330
28 2HG2 ILE 4 3HG2 ILE 4 2.182 -2.145 -3.645
29 3HG2 ILE 4 1HG2 ILE 4 1.128 -2.642 -4.988
30 1HD1 ILE 4 2HD1 ILE 4 -1.579 -1.007 -5.232
31 2HD1 ILE 4 3HD1 ILE 4 -1.051 -2.312 -4.136
32 3HD1 ILE 4 1HD1 ILE 4 -2.141 -1.037 -3.546
33 H ASN 5 H ASN 5 2.348 2.103 -6.533
34 HA ASN 5 HA ASN 5 1.650 4.713 -5.246
35 1HB ASN 5 1HB ASN 5 2.047 5.782 -7.365
36 2HB ASN 5 2HB ASN 5 3.382 4.775 -6.859
37 1HD2 ASN 5 1HD2 ASN 5 3.247 2.750 -9.849
38 2HD2 ASN 5 2HD2 ASN 5 3.915 2.884 -8.140
39 H VAL 6 H VAL 6 -0.349 4.486 -4.474
40 HA VAL 6 HA VAL 6 -2.696 4.672 -6.408
41 HB VAL 6 HB VAL 6 -2.602 2.693 -4.038
42 1HG1 VAL 6 3HG2 VAL 6 -4.863 3.771 -4.121
43 2HG1 VAL 6 1HG2 VAL 6 -5.015 3.366 -5.851
44 3HG1 VAL 6 2HG2 VAL 6 -4.950 2.078 -4.619
45 1HG2 VAL 6 1HG1 VAL 6 -2.971 2.153 -7.061
46 2HG2 VAL 6 2HG1 VAL 6 -1.561 1.696 -6.074
47 3HG2 VAL 6 3HG1 VAL 6 -3.126 0.933 -5.769
48 H SER 7 H SER 7 -3.504 6.563 -5.925
49 HA SER 7 HA SER 7 -2.707 8.090 -3.557
50 1HB SER 7 1HB SER 7 -4.020 9.966 -4.474
51 2HB SER 7 2HB SER 7 -2.951 9.228 -5.664
52 HG SER 7 HG SER 7 -5.734 8.729 -5.377
53 H CYS 8 H CYS 8 -3.510 7.868 -1.635
54 HA CYS 8 HA CYS 8 -6.187 6.669 -1.093
55 1HB CYS 8 1HB CYS 8 -4.113 7.749 0.928
56 2HB CYS 8 2HB CYS 8 -5.499 6.697 1.286
57 H THR 9 H THR 9 -7.774 7.402 0.183
58 HA THR 9 HA THR 9 -7.790 10.205 1.331
59 HB THR 9 HB THR 9 -8.946 10.569 -0.755
60 HG1 THR 9 HG1 THR 9 -9.609 11.556 1.152
61 1HG2 THR 9 2HG2 THR 9 -9.933 8.322 -1.331
62 2HG2 THR 9 3HG2 THR 9 -11.103 8.497 0.001
63 3HG2 THR 9 1HG2 THR 9 -11.136 9.628 -1.368
64 H GLY 10 H GLY 10 -7.033 8.590 2.917
65 1HA GLY 10 1HA GLY 10 -7.863 7.885 5.224
66 2HA GLY 10 2HA GLY 10 -9.319 7.237 4.488
67 H SER 11 H SER 11 -7.587 5.813 6.141
68 HA SER 11 HA SER 11 -5.801 3.996 4.667
69 1HB SER 11 1HB SER 11 -6.979 3.687 7.486
70 2HB SER 11 2HB SER 11 -5.804 2.584 6.762
71 HG SER 11 HG SER 11 -4.428 4.365 6.430
72 HA PRO 12 HA PRO 12 -9.449 0.627 4.595
73 1HB PRO 12 1HB PRO 12 -11.749 2.619 4.197
74 2HB PRO 12 2HB PRO 12 -11.792 0.982 4.890
75 1HG PRO 12 1HG PRO 12 -11.803 3.120 6.555
76 2HG PRO 12 2HG PRO 12 -10.757 1.735 6.952
77 1HD PRO 12 2HD PRO 12 -9.948 4.386 5.631
78 2HD PRO 12 1HD PRO 12 -9.135 3.488 6.947
79 H GLN 13 H GLN 13 -9.232 3.523 2.625
80 HA GLN 13 HA GLN 13 -10.328 2.629 0.098
81 1HB GLN 13 1HB GLN 13 -7.906 4.491 0.597
82 2HB GLN 13 2HB GLN 13 -8.709 4.312 -0.946
83 1HG GLN 13 2HG GLN 13 -9.944 5.486 1.602
84 2HG GLN 13 1HG GLN 13 -9.392 6.360 0.193
85 1HE2 GLN 13 1HE2 GLN 13 -13.200 5.609 0.093
86 2HE2 GLN 13 2HE2 GLN 13 -12.120 5.911 1.554
87 H CYS 14 H CYS 14 -7.056 2.005 1.397
88 HA CYS 14 HA CYS 14 -5.979 0.794 -1.075
89 1HB CYS 14 1HB CYS 14 -5.031 0.727 1.866
90 2HB CYS 14 2HB CYS 14 -4.074 0.142 0.493
91 H ILE 15 H ILE 15 -8.067 -0.703 1.284
92 HA ILE 15 HA ILE 15 -6.983 -3.378 1.317
93 HB ILE 15 HB ILE 15 -9.906 -2.549 1.710
94 1HG1 ILE 15 1HG1 ILE 15 -7.695 -2.994 3.828
95 2HG1 ILE 15 2HG1 ILE 15 -8.223 -1.420 3.283
96 1HG2 ILE 15 2HG2 ILE 15 -9.726 -5.033 1.310
97 2HG2 ILE 15 3HG2 ILE 15 -8.493 -5.165 2.586
98 3HG2 ILE 15 1HG2 ILE 15 -10.169 -4.709 2.982
99 1HD1 ILE 15 2HD1 ILE 15 -10.558 -1.837 4.131
100 2HD1 ILE 15 3HD1 ILE 15 -9.999 -3.386 4.827
101 3HD1 ILE 15 1HD1 ILE 15 -9.302 -1.854 5.396
102 H LYS 16 H LYS 16 -9.590 -2.146 -0.900
103 HA LYS 16 HA LYS 16 -9.650 -4.636 -2.474
104 1HB LYS 16 1HB LYS 16 -11.592 -3.160 -2.278
105 2HB LYS 16 2HB LYS 16 -10.812 -1.882 -3.182
106 1HG LYS 16 1HG LYS 16 -10.698 -3.356 -5.208
107 2HG LYS 16 2HG LYS 16 -11.376 -4.707 -4.314
108 1HD LYS 16 1HD LYS 16 -12.810 -2.026 -4.851
109 2HD LYS 16 2HD LYS 16 -12.998 -3.458 -5.836
110 1HE LYS 16 1HE LYS 16 -13.826 -3.265 -2.857
111 2HE LYS 16 2HE LYS 16 -14.904 -3.078 -4.233
112 1HZ LYS 16 1HZ LYS 16 -14.416 -5.371 -4.889
113 2HZ LYS 16 2HZ LYS 16 -13.394 -5.565 -3.605
114 3HZ LYS 16 3HZ LYS 16 -15.006 -5.314 -3.347
115 HA PRO 17 HA PRO 17 -6.615 -2.396 -5.757
116 1HB PRO 17 1HB PRO 17 -5.159 -0.656 -3.685
117 2HB PRO 17 2HB PRO 17 -5.315 -0.410 -5.440
118 1HG PRO 17 2HG PRO 17 -6.928 0.975 -3.745
119 2HG PRO 17 1HG PRO 17 -7.626 0.277 -5.227
120 1HD PRO 17 1HD PRO 17 -7.806 -0.799 -2.373
121 2HD PRO 17 2HD PRO 17 -9.064 -0.718 -3.639
122 H CYS 18 H CYS 18 -5.468 -2.932 -2.393
123 HA CYS 18 HA CYS 18 -3.024 -4.439 -3.043
124 1HB CYS 18 1HB CYS 18 -4.814 -4.448 -0.526
125 2HB CYS 18 2HB CYS 18 -3.285 -5.326 -0.653
126 H LYS 19 H LYS 19 -6.333 -5.627 -2.215
127 HA LYS 19 HA LYS 19 -5.887 -8.460 -2.596
128 1HB LYS 19 1HB LYS 19 -7.855 -7.373 -1.459
129 2HB LYS 19 2HB LYS 19 -8.435 -6.779 -3.006
130 1HG LYS 19 2HG LYS 19 -8.754 -9.194 -3.779
131 2HG LYS 19 1HG LYS 19 -8.165 -9.746 -2.218
132 1HD LYS 19 1HD LYS 19 -10.593 -9.854 -2.211
133 2HD LYS 19 2HD LYS 19 -10.078 -8.650 -1.052
134 1HE LYS 19 1HE LYS 19 -12.061 -7.831 -2.211
135 2HE LYS 19 2HE LYS 19 -10.714 -6.792 -2.646
136 1HZ LYS 19 1HZ LYS 19 -11.813 -8.988 -4.340
137 2HZ LYS 19 2HZ LYS 19 -12.045 -7.369 -4.573
138 3HZ LYS 19 3HZ LYS 19 -10.540 -8.023 -4.763
139 H ASP 20 H ASP 20 -7.186 -6.153 -5.033
140 HA ASP 20 HA ASP 20 -7.248 -8.085 -7.243
141 1HB ASP 20 1HB ASP 20 -7.227 -4.994 -7.271
142 2HB ASP 20 2HB ASP 20 -7.388 -5.959 -8.724
143 H ALA 21 H ALA 21 -4.581 -5.968 -6.182
144 HA ALA 21 HA ALA 21 -2.821 -6.521 -8.521
145 1HB ALA 21 2HB ALA 21 -2.441 -4.524 -7.084
146 2HB ALA 21 3HB ALA 21 -2.107 -5.555 -5.671
147 3HB ALA 21 1HB ALA 21 -1.009 -5.570 -7.070
148 H GLY 22 H GLY 22 -2.905 -7.870 -5.195
149 1HA GLY 22 1HA GLY 22 -2.771 -10.542 -5.427
150 2HA GLY 22 2HA GLY 22 -1.148 -10.239 -6.035
151 H MET 23 H MET 23 -3.031 -8.884 -3.309
152 HA MET 23 HA MET 23 -0.983 -9.893 -1.288
153 1HB MET 23 1HB MET 23 -1.867 -6.929 -1.558
154 2HB MET 23 2HB MET 23 -0.941 -7.597 -0.228
155 1HG MET 23 2HG MET 23 0.797 -6.719 -1.404
156 2HG MET 23 1HG MET 23 0.826 -8.327 -2.125
157 1HE MET 23 3HE MET 23 2.303 -6.937 -3.971
158 2HE MET 23 2HE MET 23 1.625 -5.638 -5.000
159 3HE MET 23 1HE MET 23 1.906 -5.345 -3.257
160 H ARG 24 H ARG 24 -1.659 -9.439 0.940
161 HA ARG 24 HA ARG 24 -4.444 -10.488 1.354
162 1HB ARG 24 1HB ARG 24 -2.445 -11.565 2.376
163 2HB ARG 24 2HB ARG 24 -2.068 -10.106 3.272
164 1HG ARG 24 2HG ARG 24 -4.189 -10.314 4.579
165 2HG ARG 24 1HG ARG 24 -4.671 -11.693 3.600
166 1HD ARG 24 1HD ARG 24 -3.813 -12.423 5.792
167 2HD ARG 24 2HD ARG 24 -2.821 -13.081 4.493
168 HE ARG 24 HE ARG 24 -1.409 -10.737 5.214
169 1HH1 ARG 24 2HH2 ARG 24 -2.493 -13.598 7.022
170 2HH1 ARG 24 1HH2 ARG 24 -1.072 -13.426 8.171
171 1HH2 ARG 24 1HH1 ARG 24 0.151 -10.620 6.588
172 2HH2 ARG 24 2HH1 ARG 24 0.325 -11.849 7.939
173 H PHE 25 H PHE 25 -2.662 -7.964 3.254
174 HA PHE 25 HA PHE 25 -5.316 -6.496 3.623
175 1HB PHE 25 1HB PHE 25 -2.717 -6.137 5.239
176 2HB PHE 25 2HB PHE 25 -4.268 -5.427 5.587
177 HD1 PHE 25 HD2 PHE 25 -6.323 -7.324 5.748
178 HD2 PHE 25 HD1 PHE 25 -2.166 -7.950 6.680
179 HE1 PHE 25 HE2 PHE 25 -6.926 -9.183 7.242
180 HE2 PHE 25 HE1 PHE 25 -2.792 -9.787 8.185
181 HZ PHE 25 HZ PHE 25 -5.165 -10.417 8.463
182 H GLY 26 H GLY 26 -5.140 -4.159 3.899
183 1HA GLY 26 1HA GLY 26 -3.063 -2.711 2.175
184 2HA GLY 26 2HA GLY 26 -4.745 -2.563 1.706
185 H LYS 27 H LYS 27 -2.319 -1.560 3.871
186 HA LYS 27 HA LYS 27 -4.235 0.358 5.310
187 1HB LYS 27 1HB LYS 27 -2.695 0.516 7.193
188 2HB LYS 27 2HB LYS 27 -3.461 -1.032 7.060
189 1HG LYS 27 1HG LYS 27 -0.582 -0.621 6.030
190 2HG LYS 27 2HG LYS 27 -0.892 -0.781 7.736
191 1HD LYS 27 1HD LYS 27 -1.651 -2.933 5.655
192 2HD LYS 27 2HD LYS 27 -0.167 -2.898 6.593
193 1HE LYS 27 1HE LYS 27 -1.543 -2.989 8.758
194 2HE LYS 27 2HE LYS 27 -3.012 -3.148 7.786
195 1HZ LYS 27 1HZ LYS 27 -0.723 -5.049 7.743
196 2HZ LYS 27 2HZ LYS 27 -2.176 -5.295 8.488
197 3HZ LYS 27 3HZ LYS 27 -2.097 -5.197 6.840
198 H CYS 28 H CYS 28 -3.883 2.413 4.898
199 HA CYS 28 HA CYS 28 -1.737 3.071 2.913
200 1HB CYS 28 1HB CYS 28 -4.213 3.689 2.598
201 2HB CYS 28 2HB CYS 28 -3.967 4.988 3.774
202 H MET 29 H MET 29 -0.069 4.282 3.188
203 HA MET 29 HA MET 29 0.451 5.911 5.727
204 1HB MET 29 1HB MET 29 2.326 5.245 3.365
205 2HB MET 29 2HB MET 29 2.771 6.181 4.783
206 1HG MET 29 1HG MET 29 1.978 3.215 4.852
207 2HG MET 29 2HG MET 29 3.611 3.878 4.999
208 1HE MET 29 1HE MET 29 3.756 2.367 7.267
209 2HE MET 29 3HE MET 29 2.644 2.575 8.652
210 3HE MET 29 2HE MET 29 2.036 1.889 7.118
211 H ASN 30 H ASN 30 2.009 7.981 4.455
212 HA ASN 30 HA ASN 30 -0.182 9.907 4.244
213 1HB ASN 30 1HB ASN 30 2.824 10.298 3.662
214 2HB ASN 30 2HB ASN 30 1.649 11.597 3.685
215 1HD2 ASN 30 1HD2 ASN 30 3.079 10.452 7.268
216 2HD2 ASN 30 2HD2 ASN 30 3.707 9.749 5.687
217 H ARG 31 H ARG 31 -1.489 9.667 2.652
218 HA ARG 31 HA ARG 31 -2.510 9.516 0.577
219 1HB ARG 31 1HB ARG 31 -0.180 11.289 -0.388
220 2HB ARG 31 2HB ARG 31 -1.617 10.952 -1.332
221 1HG ARG 31 1HG ARG 31 -1.619 12.452 1.346
222 2HG ARG 31 2HG ARG 31 -1.692 13.163 -0.259
223 1HD ARG 31 1HD ARG 31 -3.901 11.878 -0.683
224 2HD ARG 31 2HD ARG 31 -3.837 11.322 0.979
225 HE ARG 31 HE ARG 31 -4.310 13.545 1.832
226 1HH1 ARG 31 2HH2 ARG 31 -4.166 13.574 -1.724
227 2HH1 ARG 31 1HH2 ARG 31 -5.022 15.197 -1.753
228 1HH2 ARG 31 1HH1 ARG 31 -5.274 15.383 1.674
229 2HH2 ARG 31 2HH1 ARG 31 -5.605 16.149 0.040
230 H LYS 32 H LYS 32 -0.291 7.379 1.103
231 HA LYS 32 HA LYS 32 -0.426 6.226 -1.731
232 1HB LYS 32 1HB LYS 32 2.220 6.502 -0.150
233 2HB LYS 32 2HB LYS 32 1.975 5.394 -1.495
234 1HG LYS 32 1HG LYS 32 1.359 7.383 -2.995
235 2HG LYS 32 2HG LYS 32 1.763 8.442 -1.656
236 1HD LYS 32 1HD LYS 32 3.685 8.480 -2.964
237 2HD LYS 32 2HD LYS 32 4.154 7.425 -1.653
238 1HE LYS 32 1HE LYS 32 3.187 6.434 -4.439
239 2HE LYS 32 2HE LYS 32 4.869 6.774 -4.058
240 1HZ LYS 32 2HZ LYS 32 4.816 5.045 -2.356
241 2HZ LYS 32 3HZ LYS 32 3.236 4.702 -2.691
242 3HZ LYS 32 1HZ LYS 32 4.398 4.433 -3.834
243 H CYS 33 H CYS 33 -1.074 4.251 -1.676
244 HA CYS 33 HA CYS 33 -1.660 2.693 0.668
245 1HB CYS 33 1HB CYS 33 -1.403 1.876 -2.290
246 2HB CYS 33 2HB CYS 33 -2.005 0.773 -1.042
247 H HIS 34 H HIS 34 -0.640 1.202 1.848
248 HA HIS 34 HA HIS 34 1.947 -0.114 0.830
249 1HB HIS 34 1HB HIS 34 1.377 1.033 3.624
250 2HB HIS 34 2HB HIS 34 2.442 -0.337 3.424
251 HD1 HIS 34 HD1 HIS 34 4.946 0.294 3.249
252 HD2 HIS 34 HD2 HIS 34 2.242 3.249 1.706
253 HE1 HIS 34 HE1 HIS 34 6.238 2.384 2.482
254 HE2 HIS 34 HE2 HIS 34 4.700 4.228 1.545
255 H CYS 35 H CYS 35 1.281 -2.006 0.243
256 HA CYS 35 HA CYS 35 -0.963 -3.499 1.549
257 1HB CYS 35 1HB CYS 35 0.928 -4.339 -0.747
258 2HB CYS 35 2HB CYS 35 -0.554 -5.171 -0.241
259 H THR 36 H THR 36 -0.769 -5.697 2.274
260 HA THR 36 HA THR 36 1.950 -6.485 3.504
261 HB THR 36 HB THR 36 -0.838 -7.151 4.592
262 HG1 THR 36 HG1 THR 36 1.260 -5.502 5.548
263 1HG2 THR 36 3HG2 THR 36 1.952 -7.809 5.749
264 2HG2 THR 36 1HG2 THR 36 0.391 -8.064 6.571
265 3HG2 THR 36 2HG2 THR 36 0.783 -8.995 5.111
266 HA PRO 37 HA PRO 37 1.005 -9.301 -0.076
267 1HB PRO 37 1HB PRO 37 3.787 -10.344 0.700
268 2HB PRO 37 2HB PRO 37 3.106 -10.093 -0.924
269 1HG PRO 37 2HG PRO 37 4.754 -8.220 0.113
270 2HG PRO 37 1HG PRO 37 3.247 -7.676 -0.670
271 1HD PRO 37 1HD PRO 37 3.791 -7.994 2.338
272 2HD PRO 37 2HD PRO 37 2.995 -6.656 1.467
273 H LYS 38 H LYS 38 0.372 -11.358 -0.454
274 HA LYS 38 HA LYS 38 -0.470 -12.936 1.939
275 1HB LYS 38 1HB LYS 38 -1.991 -12.412 -0.042
276 2HB LYS 38 2HB LYS 38 -0.990 -13.417 -1.066
277 1HG LYS 38 1HG LYS 38 -2.918 -14.696 -0.505
278 2HG LYS 38 2HG LYS 38 -1.584 -15.439 0.360
279 1HD LYS 38 1HD LYS 38 -2.335 -14.203 2.489
280 2HD LYS 38 2HD LYS 38 -3.649 -13.486 1.568
281 1HE LYS 38 1HE LYS 38 -4.615 -15.297 2.796
282 2HE LYS 38 2HE LYS 38 -4.592 -15.820 1.113
283 1HZ LYS 38 3HZ LYS 38 -2.608 -16.619 3.200
284 2HZ LYS 38 1HZ LYS 38 -3.828 -17.563 2.612
285 3HZ LYS 38 2HZ LYS 38 -2.575 -17.124 1.628
No H/Q in entry = 285
Start of MODEL 11
Raw file had 289 H/Q atoms
Start of MODEL 11
1 1H GLY 1 1H GLY 1 5.476 -4.068 5.052
2 2H GLY 1 2H GLY 1 3.949 -4.466 5.542
3 3H GLY 1 3H GLY 1 4.558 -5.097 4.142
4 1HA GLY 1 2HA GLY 1 2.936 -3.313 3.674
5 2HA GLY 1 1HA GLY 1 3.925 -2.226 4.640
6 H VAL 2 H VAL 2 3.814 -4.112 1.696
7 HA VAL 2 HA VAL 2 6.325 -2.920 0.536
8 HB VAL 2 HB VAL 2 4.294 -4.894 -0.665
9 1HG1 VAL 2 1HG2 VAL 2 6.961 -3.930 -1.908
10 2HG1 VAL 2 2HG2 VAL 2 5.953 -5.270 -2.518
11 3HG1 VAL 2 3HG2 VAL 2 5.331 -3.615 -2.549
12 1HG2 VAL 2 2HG1 VAL 2 5.755 -5.886 1.162
13 2HG2 VAL 2 3HG1 VAL 2 6.120 -6.581 -0.423
14 3HG2 VAL 2 1HG1 VAL 2 7.210 -5.363 0.287
15 HA PRO 3 HA PRO 3 3.613 0.547 -0.743
16 1HB PRO 3 1HB PRO 3 5.440 2.165 -2.105
17 2HB PRO 3 2HB PRO 3 5.332 1.990 -0.353
18 1HG PRO 3 2HG PRO 3 7.236 0.547 -2.256
19 2HG PRO 3 1HG PRO 3 7.628 1.351 -0.716
20 1HD PRO 3 1HD PRO 3 7.269 -1.382 -0.884
21 2HD PRO 3 2HD PRO 3 6.754 -0.483 0.577
22 H ILE 4 H ILE 4 2.150 0.612 -2.272
23 HA ILE 4 HA ILE 4 2.890 0.172 -5.213
24 HB ILE 4 HB ILE 4 0.704 -0.577 -5.795
25 1HG1 ILE 4 2HG1 ILE 4 -0.183 -0.839 -2.861
26 2HG1 ILE 4 1HG1 ILE 4 -0.622 0.515 -3.883
27 1HG2 ILE 4 2HG2 ILE 4 2.453 -2.276 -5.249
28 2HG2 ILE 4 3HG2 ILE 4 1.815 -2.419 -3.594
29 3HG2 ILE 4 1HG2 ILE 4 0.817 -2.904 -4.986
30 1HD1 ILE 4 2HD1 ILE 4 -1.713 -1.063 -5.563
31 2HD1 ILE 4 3HD1 ILE 4 -1.446 -2.397 -4.408
32 3HD1 ILE 4 1HD1 ILE 4 -2.482 -1.018 -3.967
33 H ASN 5 H ASN 5 1.975 1.573 -6.681
34 HA ASN 5 HA ASN 5 1.556 4.348 -5.627
35 1HB ASN 5 1HB ASN 5 1.744 5.145 -7.896
36 2HB ASN 5 2HB ASN 5 3.088 4.137 -7.419
37 1HD2 ASN 5 1HD2 ASN 5 2.543 1.790 -10.111
38 2HD2 ASN 5 2HD2 ASN 5 3.410 2.094 -8.516
39 H VAL 6 H VAL 6 -0.362 4.211 -4.587
40 HA VAL 6 HA VAL 6 -2.877 4.515 -6.272
41 HB VAL 6 HB VAL 6 -2.656 2.544 -3.903
42 1HG1 VAL 6 3HG2 VAL 6 -4.812 3.815 -3.662
43 2HG1 VAL 6 1HG2 VAL 6 -5.245 3.436 -5.346
44 3HG1 VAL 6 2HG2 VAL 6 -5.114 2.140 -4.129
45 1HG2 VAL 6 1HG1 VAL 6 -3.516 2.065 -6.836
46 2HG2 VAL 6 2HG1 VAL 6 -2.016 1.489 -6.072
47 3HG2 VAL 6 3HG1 VAL 6 -3.572 0.852 -5.531
48 H SER 7 H SER 7 -3.477 6.482 -5.764
49 HA SER 7 HA SER 7 -2.450 7.915 -3.388
50 1HB SER 7 1HB SER 7 -3.564 9.930 -4.273
51 2HB SER 7 2HB SER 7 -2.566 9.118 -5.477
52 HG SER 7 HG SER 7 -4.582 9.745 -6.289
53 H CYS 8 H CYS 8 -3.306 7.818 -1.475
54 HA CYS 8 HA CYS 8 -6.065 6.729 -1.020
55 1HB CYS 8 1HB CYS 8 -3.919 7.526 1.057
56 2HB CYS 8 2HB CYS 8 -5.388 6.592 1.373
57 H THR 9 H THR 9 -7.566 7.463 0.309
58 HA THR 9 HA THR 9 -7.427 10.163 1.667
59 HB THR 9 HB THR 9 -8.577 10.784 -0.348
60 HG1 THR 9 HG1 THR 9 -10.435 11.557 0.641
61 1HG2 THR 9 2HG2 THR 9 -9.656 8.682 -1.172
62 2HG2 THR 9 3HG2 THR 9 -10.799 8.712 0.197
63 3HG2 THR 9 1HG2 THR 9 -10.828 10.007 -1.019
64 H GLY 10 H GLY 10 -6.748 8.420 3.124
65 1HA GLY 10 2HA GLY 10 -7.572 7.551 5.362
66 2HA GLY 10 1HA GLY 10 -9.076 7.049 4.610
67 H SER 11 H SER 11 -7.461 5.397 6.113
68 HA SER 11 HA SER 11 -5.786 3.548 4.565
69 1HB SER 11 1HB SER 11 -7.176 3.102 7.265
70 2HB SER 11 2HB SER 11 -6.055 1.967 6.510
71 HG SER 11 HG SER 11 -5.031 3.381 7.924
72 HA PRO 12 HA PRO 12 -9.736 0.571 4.001
73 1HB PRO 12 1HB PRO 12 -11.774 2.825 3.581
74 2HB PRO 12 2HB PRO 12 -12.048 1.158 4.135
75 1HG PRO 12 1HG PRO 12 -11.970 3.152 5.965
76 2HG PRO 12 2HG PRO 12 -11.104 1.637 6.322
77 1HD PRO 12 1HD PRO 12 -9.931 4.275 5.286
78 2HD PRO 12 2HD PRO 12 -9.313 3.197 6.571
79 H GLN 13 H GLN 13 -9.082 3.547 2.237
80 HA GLN 13 HA GLN 13 -10.115 2.811 -0.393
81 1HB GLN 13 1HB GLN 13 -7.747 4.661 0.332
82 2HB GLN 13 2HB GLN 13 -8.448 4.536 -1.270
83 1HG GLN 13 2HG GLN 13 -9.910 5.563 1.232
84 2HG GLN 13 1HG GLN 13 -9.233 6.536 -0.048
85 1HE2 GLN 13 1HE2 GLN 13 -12.047 5.931 -2.268
86 2HE2 GLN 13 2HE2 GLN 13 -10.277 6.435 -2.205
87 H CYS 14 H CYS 14 -6.943 2.009 1.056
88 HA CYS 14 HA CYS 14 -5.795 0.827 -1.414
89 1HB CYS 14 1HB CYS 14 -5.027 0.417 1.553
90 2HB CYS 14 2HB CYS 14 -4.045 -0.071 0.159
91 H ILE 15 H ILE 15 -8.007 -0.576 0.980
92 HA ILE 15 HA ILE 15 -7.197 -3.297 0.940
93 HB ILE 15 HB ILE 15 -10.039 -2.181 1.246
94 1HG1 ILE 15 2HG1 ILE 15 -8.513 -1.134 2.882
95 2HG1 ILE 15 1HG1 ILE 15 -9.751 -2.093 3.625
96 1HG2 ILE 15 3HG2 ILE 15 -9.037 -4.951 2.140
97 2HG2 ILE 15 1HG2 ILE 15 -10.596 -4.222 2.604
98 3HG2 ILE 15 2HG2 ILE 15 -10.270 -4.603 0.908
99 1HD1 ILE 15 3HD1 ILE 15 -6.808 -2.989 3.288
100 2HD1 ILE 15 1HD1 ILE 15 -7.539 -2.349 4.778
101 3HD1 ILE 15 2HD1 ILE 15 -8.068 -3.922 4.136
102 H LYS 16 H LYS 16 -9.805 -2.004 -1.255
103 HA LYS 16 HA LYS 16 -9.948 -4.540 -2.745
104 1HB LYS 16 2HB LYS 16 -11.877 -3.039 -2.517
105 2HB LYS 16 1HB LYS 16 -11.124 -1.806 -3.506
106 1HG LYS 16 1HG LYS 16 -11.101 -3.399 -5.472
107 2HG LYS 16 2HG LYS 16 -11.792 -4.669 -4.459
108 1HD LYS 16 1HD LYS 16 -13.851 -3.235 -4.083
109 2HD LYS 16 2HD LYS 16 -13.152 -1.971 -5.105
110 1HE LYS 16 1HE LYS 16 -13.103 -3.591 -7.071
111 2HE LYS 16 2HE LYS 16 -13.806 -4.853 -6.047
112 1HZ LYS 16 3HZ LYS 16 -15.110 -2.251 -6.694
113 2HZ LYS 16 1HZ LYS 16 -15.500 -3.720 -7.342
114 3HZ LYS 16 2HZ LYS 16 -15.765 -3.428 -5.738
115 HA PRO 17 HA PRO 17 -7.088 -2.404 -6.284
116 1HB PRO 17 1HB PRO 17 -5.525 -0.638 -4.314
117 2HB PRO 17 2HB PRO 17 -5.756 -0.418 -6.060
118 1HG PRO 17 2HG PRO 17 -7.278 1.014 -4.341
119 2HG PRO 17 1HG PRO 17 -8.064 0.271 -5.756
120 1HD PRO 17 2HD PRO 17 -8.057 -0.731 -2.863
121 2HD PRO 17 1HD PRO 17 -9.404 -0.657 -4.036
122 H CYS 18 H CYS 18 -5.719 -2.773 -2.999
123 HA CYS 18 HA CYS 18 -3.320 -4.281 -3.798
124 1HB CYS 18 1HB CYS 18 -4.734 -3.897 -1.081
125 2HB CYS 18 2HB CYS 18 -3.218 -4.763 -1.274
126 H LYS 19 H LYS 19 -6.484 -5.447 -2.487
127 HA LYS 19 HA LYS 19 -5.831 -8.290 -2.502
128 1HB LYS 19 2HB LYS 19 -7.770 -7.176 -1.305
129 2HB LYS 19 1HB LYS 19 -8.589 -6.946 -2.843
130 1HG LYS 19 1HG LYS 19 -8.666 -9.467 -3.151
131 2HG LYS 19 2HG LYS 19 -7.788 -9.675 -1.634
132 1HD LYS 19 1HD LYS 19 -9.702 -8.521 -0.391
133 2HD LYS 19 2HD LYS 19 -10.540 -8.306 -1.919
134 1HE LYS 19 1HE LYS 19 -11.562 -10.202 -0.864
135 2HE LYS 19 2HE LYS 19 -10.640 -10.842 -2.222
136 1HZ LYS 19 3HZ LYS 19 -9.756 -10.857 0.631
137 2HZ LYS 19 1HZ LYS 19 -10.318 -12.159 -0.218
138 3HZ LYS 19 2HZ LYS 19 -8.876 -11.464 -0.628
139 H ASP 20 H ASP 20 -7.466 -6.349 -5.047
140 HA ASP 20 HA ASP 20 -7.599 -8.467 -7.076
141 1HB ASP 20 1HB ASP 20 -7.534 -5.395 -7.413
142 2HB ASP 20 2HB ASP 20 -7.776 -6.503 -8.747
143 H ALA 21 H ALA 21 -4.931 -6.163 -6.381
144 HA ALA 21 HA ALA 21 -3.221 -6.949 -8.657
145 1HB ALA 21 2HB ALA 21 -2.840 -4.829 -7.391
146 2HB ALA 21 3HB ALA 21 -2.439 -5.743 -5.916
147 3HB ALA 21 1HB ALA 21 -1.385 -5.847 -7.341
148 H GLY 22 H GLY 22 -3.192 -8.006 -5.233
149 1HA GLY 22 2HA GLY 22 -2.914 -10.670 -5.151
150 2HA GLY 22 1HA GLY 22 -1.348 -10.369 -5.900
151 H MET 23 H MET 23 -3.215 -8.908 -3.221
152 HA MET 23 HA MET 23 -0.878 -9.364 -1.298
153 1HB MET 23 1HB MET 23 -2.496 -6.764 -1.422
154 2HB MET 23 2HB MET 23 -1.106 -7.081 -0.405
155 1HG MET 23 1HG MET 23 -0.969 -6.765 -3.465
156 2HG MET 23 2HG MET 23 -0.579 -5.533 -2.263
157 1HE MET 23 1HE MET 23 1.522 -6.227 -4.444
158 2HE MET 23 3HE MET 23 1.860 -5.107 -3.089
159 3HE MET 23 2HE MET 23 3.017 -6.415 -3.479
160 H ARG 24 H ARG 24 -1.502 -8.866 0.964
161 HA ARG 24 HA ARG 24 -4.091 -10.307 1.663
162 1HB ARG 24 1HB ARG 24 -1.952 -11.351 2.349
163 2HB ARG 24 2HB ARG 24 -1.460 -9.907 3.216
164 1HG ARG 24 1HG ARG 24 -3.326 -10.212 4.849
165 2HG ARG 24 2HG ARG 24 -3.967 -11.535 3.886
166 1HD ARG 24 2HD ARG 24 -2.773 -12.410 5.849
167 2HD ARG 24 1HD ARG 24 -1.977 -12.952 4.367
168 HE ARG 24 HE ARG 24 -0.506 -10.628 5.040
169 1HH1 ARG 24 2HH2 ARG 24 -1.263 -13.632 6.783
170 2HH1 ARG 24 1HH2 ARG 24 0.308 -13.500 7.718
171 1HH2 ARG 24 1HH1 ARG 24 1.240 -10.564 6.176
172 2HH2 ARG 24 2HH1 ARG 24 1.629 -11.878 7.396
173 H PHE 25 H PHE 25 -2.118 -7.787 3.353
174 HA PHE 25 HA PHE 25 -4.705 -6.386 4.160
175 1HB PHE 25 1HB PHE 25 -1.867 -5.957 5.290
176 2HB PHE 25 2HB PHE 25 -3.337 -5.243 5.889
177 HD1 PHE 25 HD2 PHE 25 -5.317 -7.027 6.532
178 HD2 PHE 25 HD1 PHE 25 -1.096 -7.882 6.523
179 HE1 PHE 25 HE2 PHE 25 -5.676 -8.891 8.097
180 HE2 PHE 25 HE1 PHE 25 -1.476 -9.729 8.092
181 HZ PHE 25 HZ PHE 25 -3.761 -10.246 8.877
182 H GLY 26 H GLY 26 -4.597 -4.062 4.339
183 1HA GLY 26 1HA GLY 26 -2.921 -2.558 2.273
184 2HA GLY 26 2HA GLY 26 -4.665 -2.499 2.066
185 H LYS 27 H LYS 27 -1.960 -1.570 4.064
186 HA LYS 27 HA LYS 27 -3.716 0.253 5.815
187 1HB LYS 27 1HB LYS 27 -2.357 -1.524 7.003
188 2HB LYS 27 2HB LYS 27 -0.874 -0.832 6.359
189 1HG LYS 27 2HG LYS 27 -1.457 1.367 7.553
190 2HG LYS 27 1HG LYS 27 -2.873 0.593 8.249
191 1HD LYS 27 1HD LYS 27 0.057 -0.303 8.675
192 2HD LYS 27 2HD LYS 27 -0.850 0.738 9.764
193 1HE LYS 27 1HE LYS 27 -2.529 -1.130 10.182
194 2HE LYS 27 2HE LYS 27 -1.597 -2.198 9.122
195 1HZ LYS 27 2HZ LYS 27 -0.558 -0.939 11.612
196 2HZ LYS 27 3HZ LYS 27 -1.001 -2.520 11.436
197 3HZ LYS 27 1HZ LYS 27 0.309 -1.933 10.618
198 H CYS 28 H CYS 28 -3.701 2.252 5.052
199 HA CYS 28 HA CYS 28 -1.526 3.132 3.163
200 1HB CYS 28 1HB CYS 28 -4.059 3.339 2.645
201 2HB CYS 28 2HB CYS 28 -4.050 4.773 3.685
202 H MET 29 H MET 29 -0.062 4.542 3.571
203 HA MET 29 HA MET 29 -0.026 6.302 6.071
204 1HB MET 29 1HB MET 29 2.136 5.636 3.961
205 2HB MET 29 2HB MET 29 2.344 6.848 5.206
206 1HG MET 29 1HG MET 29 3.431 4.839 5.972
207 2HG MET 29 2HG MET 29 2.054 5.175 7.033
208 1HE MET 29 3HE MET 29 2.200 2.635 7.968
209 2HE MET 29 2HE MET 29 2.175 1.198 6.903
210 3HE MET 29 1HE MET 29 3.580 2.304 6.872
211 H ASN 30 H ASN 30 1.415 8.493 4.867
212 HA ASN 30 HA ASN 30 -0.944 10.155 4.378
213 1HB ASN 30 1HB ASN 30 2.044 10.870 4.087
214 2HB ASN 30 2HB ASN 30 0.738 12.026 3.947
215 1HD2 ASN 30 1HD2 ASN 30 1.906 11.143 7.692
216 2HD2 ASN 30 2HD2 ASN 30 2.768 10.475 6.210
217 H ARG 31 H ARG 31 -2.039 9.731 2.670
218 HA ARG 31 HA ARG 31 -2.805 9.403 0.501
219 1HB ARG 31 1HB ARG 31 -0.607 11.403 -0.304
220 2HB ARG 31 2HB ARG 31 -1.896 10.836 -1.352
221 1HG ARG 31 1HG ARG 31 -3.617 11.731 0.368
222 2HG ARG 31 2HG ARG 31 -2.266 12.478 1.204
223 1HD ARG 31 1HD ARG 31 -3.219 14.184 -0.187
224 2HD ARG 31 2HD ARG 31 -1.673 13.759 -0.931
225 HE ARG 31 HE ARG 31 -3.832 12.153 -2.148
226 1HH1 ARG 31 2HH2 ARG 31 -2.576 15.480 -2.154
227 2HH1 ARG 31 1HH2 ARG 31 -3.254 15.745 -3.839
228 1HH2 ARG 31 1HH1 ARG 31 -4.557 12.564 -4.059
229 2HH2 ARG 31 2HH1 ARG 31 -4.301 14.204 -4.844
230 H LYS 32 H LYS 32 -0.546 7.480 1.375
231 HA LYS 32 HA LYS 32 -0.025 6.334 -1.426
232 1HB LYS 32 1HB LYS 32 2.185 6.884 0.673
233 2HB LYS 32 2HB LYS 32 2.383 5.840 -0.734
234 1HG LYS 32 2HG LYS 32 1.873 7.770 -2.273
235 2HG LYS 32 1HG LYS 32 1.752 8.845 -0.877
236 1HD LYS 32 1HD LYS 32 4.124 8.295 -0.228
237 2HD LYS 32 2HD LYS 32 4.287 7.230 -1.617
238 1HE LYS 32 1HE LYS 32 3.693 10.269 -1.792
239 2HE LYS 32 2HE LYS 32 5.299 9.556 -1.896
240 1HZ LYS 32 2HZ LYS 32 4.601 8.345 -3.889
241 2HZ LYS 32 3HZ LYS 32 3.088 9.004 -3.811
242 3HZ LYS 32 1HZ LYS 32 4.398 9.972 -4.088
243 H CYS 33 H CYS 33 -0.696 4.346 -1.414
244 HA CYS 33 HA CYS 33 -1.363 2.724 0.880
245 1HB CYS 33 1HB CYS 33 -0.890 1.923 -2.063
246 2HB CYS 33 2HB CYS 33 -1.529 0.809 -0.843
247 H HIS 34 H HIS 34 -0.319 1.267 2.108
248 HA HIS 34 HA HIS 34 2.294 -0.024 1.127
249 1HB HIS 34 1HB HIS 34 1.742 1.023 3.972
250 2HB HIS 34 2HB HIS 34 2.931 -0.211 3.624
251 HD1 HIS 34 HD1 HIS 34 5.303 0.524 2.629
252 HD2 HIS 34 HD2 HIS 34 2.275 3.563 2.777
253 HE1 HIS 34 HE1 HIS 34 6.315 2.827 2.082
254 HE2 HIS 34 HE2 HIS 34 4.580 4.734 2.160
255 H CYS 35 H CYS 35 1.420 -1.822 0.469
256 HA CYS 35 HA CYS 35 -0.688 -3.286 2.113
257 1HB CYS 35 1HB CYS 35 0.043 -3.363 -0.879
258 2HB CYS 35 2HB CYS 35 -1.090 -4.487 -0.106
259 H THR 36 H THR 36 -0.377 -5.285 2.871
260 HA THR 36 HA THR 36 2.481 -6.262 3.062
261 HB THR 36 HB THR 36 -0.019 -7.194 4.590
262 HG1 THR 36 HG1 THR 36 0.661 -5.070 5.015
263 1HG2 THR 36 3HG2 THR 36 2.958 -7.804 5.153
264 2HG2 THR 36 1HG2 THR 36 1.585 -8.225 6.209
265 3HG2 THR 36 2HG2 THR 36 1.738 -8.987 4.613
266 HA PRO 37 HA PRO 37 1.101 -9.031 -0.315
267 1HB PRO 37 1HB PRO 37 3.422 -10.529 -0.757
268 2HB PRO 37 2HB PRO 37 3.241 -8.827 -1.184
269 1HG PRO 37 1HG PRO 37 4.528 -9.987 1.340
270 2HG PRO 37 2HG PRO 37 5.199 -8.757 0.240
271 1HD PRO 37 1HD PRO 37 3.917 -8.052 2.579
272 2HD PRO 37 2HD PRO 37 3.733 -7.044 1.110
273 H LYS 38 H LYS 38 0.340 -11.043 -0.746
274 HA LYS 38 HA LYS 38 -0.254 -12.803 1.617
275 1HB LYS 38 1HB LYS 38 -1.920 -13.891 0.246
276 2HB LYS 38 2HB LYS 38 -2.106 -12.158 0.196
277 1HG LYS 38 1HG LYS 38 -0.902 -12.194 -2.114
278 2HG LYS 38 2HG LYS 38 -1.027 -13.944 -2.076
279 1HD LYS 38 1HD LYS 38 -3.392 -11.958 -1.947
280 2HD LYS 38 2HD LYS 38 -2.824 -12.772 -3.397
281 1HE LYS 38 1HE LYS 38 -3.405 -15.031 -2.381
282 2HE LYS 38 2HE LYS 38 -4.002 -14.218 -0.926
283 1HZ LYS 38 2HZ LYS 38 -5.092 -13.818 -3.670
284 2HZ LYS 38 3HZ LYS 38 -5.798 -14.702 -2.465
285 3HZ LYS 38 1HZ LYS 38 -5.647 -13.064 -2.308
No H/Q in entry = 285
Start of MODEL 12
Raw file had 289 H/Q atoms
Start of MODEL 12
1 1H GLY 1 1H GLY 1 5.745 -4.458 4.068
2 2H GLY 1 2H GLY 1 4.321 -4.328 4.896
3 3H GLY 1 3H GLY 1 4.329 -4.914 3.352
4 1HA GLY 1 1HA GLY 1 3.494 -2.611 3.417
5 2HA GLY 1 2HA GLY 1 5.013 -2.126 4.168
6 H VAL 2 H VAL 2 3.456 -2.994 1.238
7 HA VAL 2 HA VAL 2 6.019 -2.718 -0.427
8 HB VAL 2 HB VAL 2 3.368 -4.092 -1.154
9 1HG1 VAL 2 1HG2 VAL 2 5.937 -3.805 -2.862
10 2HG1 VAL 2 2HG2 VAL 2 4.527 -4.818 -3.269
11 3HG1 VAL 2 3HG2 VAL 2 4.361 -3.057 -3.211
12 1HG2 VAL 2 2HG1 VAL 2 4.787 -5.481 0.396
13 2HG2 VAL 2 3HG1 VAL 2 4.731 -6.197 -1.220
14 3HG2 VAL 2 1HG1 VAL 2 6.182 -5.307 -0.690
15 HA PRO 3 HA PRO 3 3.758 1.303 -1.107
16 1HB PRO 3 1HB PRO 3 5.795 2.770 -2.301
17 2HB PRO 3 2HB PRO 3 5.675 2.434 -0.573
18 1HG PRO 3 2HG PRO 3 7.363 0.951 -2.638
19 2HG PRO 3 1HG PRO 3 7.861 1.534 -1.032
20 1HD PRO 3 2HD PRO 3 7.131 -1.092 -1.485
21 2HD PRO 3 1HD PRO 3 6.771 -0.299 0.080
22 H ILE 4 H ILE 4 2.214 0.860 -2.543
23 HA ILE 4 HA ILE 4 2.839 0.692 -5.536
24 HB ILE 4 HB ILE 4 0.573 -0.078 -5.936
25 1HG1 ILE 4 1HG1 ILE 4 0.093 -0.321 -2.902
26 2HG1 ILE 4 2HG1 ILE 4 -0.584 0.926 -3.939
27 1HG2 ILE 4 2HG2 ILE 4 2.441 -1.726 -5.628
28 2HG2 ILE 4 3HG2 ILE 4 1.990 -1.927 -3.919
29 3HG2 ILE 4 1HG2 ILE 4 0.867 -2.417 -5.208
30 1HD1 ILE 4 2HD1 ILE 4 -1.831 -0.783 -5.297
31 2HD1 ILE 4 3HD1 ILE 4 -1.238 -2.063 -4.206
32 3HD1 ILE 4 1HD1 ILE 4 -2.289 -0.774 -3.579
33 H ASN 5 H ASN 5 2.017 2.182 -6.897
34 HA ASN 5 HA ASN 5 1.542 4.893 -5.759
35 1HB ASN 5 1HB ASN 5 1.702 5.779 -7.997
36 2HB ASN 5 2HB ASN 5 3.052 4.756 -7.574
37 1HD2 ASN 5 1HD2 ASN 5 2.474 2.512 -10.347
38 2HD2 ASN 5 2HD2 ASN 5 3.359 2.754 -8.752
39 H VAL 6 H VAL 6 -0.357 4.771 -4.716
40 HA VAL 6 HA VAL 6 -2.929 4.975 -6.335
41 HB VAL 6 HB VAL 6 -2.560 3.021 -3.966
42 1HG1 VAL 6 3HG2 VAL 6 -4.797 4.160 -3.770
43 2HG1 VAL 6 1HG2 VAL 6 -5.192 3.700 -5.446
44 3HG1 VAL 6 2HG2 VAL 6 -4.971 2.454 -4.188
45 1HG2 VAL 6 1HG1 VAL 6 -3.354 2.453 -6.901
46 2HG2 VAL 6 2HG1 VAL 6 -1.834 1.971 -6.106
47 3HG2 VAL 6 3HG1 VAL 6 -3.359 1.254 -5.581
48 H SER 7 H SER 7 -3.595 6.907 -5.774
49 HA SER 7 HA SER 7 -2.621 8.347 -3.374
50 1HB SER 7 1HB SER 7 -3.901 10.294 -4.177
51 2HB SER 7 2HB SER 7 -2.861 9.590 -5.414
52 HG SER 7 HG SER 7 -4.705 8.510 -6.243
53 H CYS 8 H CYS 8 -3.396 7.995 -1.458
54 HA CYS 8 HA CYS 8 -6.079 6.805 -0.938
55 1HB CYS 8 1HB CYS 8 -3.944 7.755 1.091
56 2HB CYS 8 2HB CYS 8 -5.361 6.747 1.449
57 H THR 9 H THR 9 -7.628 7.492 0.381
58 HA THR 9 HA THR 9 -7.584 10.201 1.729
59 HB THR 9 HB THR 9 -8.742 10.796 -0.281
60 HG1 THR 9 HG1 THR 9 -9.400 11.577 1.721
61 1HG2 THR 9 2HG2 THR 9 -9.747 8.678 -1.134
62 2HG2 THR 9 3HG2 THR 9 -10.896 8.646 0.230
63 3HG2 THR 9 1HG2 THR 9 -10.968 9.956 -0.968
64 H GLY 10 H GLY 10 -6.861 8.505 3.193
65 1HA GLY 10 1HA GLY 10 -7.609 7.577 5.416
66 2HA GLY 10 2HA GLY 10 -9.138 7.086 4.706
67 H SER 11 H SER 11 -7.511 5.396 6.129
68 HA SER 11 HA SER 11 -5.879 3.578 4.488
69 1HB SER 11 1HB SER 11 -7.178 3.083 7.229
70 2HB SER 11 2HB SER 11 -6.080 1.961 6.418
71 HG SER 11 HG SER 11 -5.513 4.662 7.059
72 HA PRO 12 HA PRO 12 -9.878 0.631 4.040
73 1HB PRO 12 1HB PRO 12 -11.888 2.917 3.660
74 2HB PRO 12 2HB PRO 12 -12.179 1.252 4.214
75 1HG PRO 12 1HG PRO 12 -12.029 3.236 6.050
76 2HG PRO 12 2HG PRO 12 -11.177 1.707 6.382
77 1HD PRO 12 1HD PRO 12 -9.993 4.333 5.331
78 2HD PRO 12 2HD PRO 12 -9.356 3.239 6.598
79 H GLN 13 H GLN 13 -9.224 3.593 2.256
80 HA GLN 13 HA GLN 13 -10.209 2.846 -0.395
81 1HB GLN 13 1HB GLN 13 -7.848 4.659 0.452
82 2HB GLN 13 2HB GLN 13 -8.390 4.515 -1.201
83 1HG GLN 13 2HG GLN 13 -10.091 5.595 1.119
84 2HG GLN 13 1HG GLN 13 -9.257 6.543 -0.082
85 1HE2 GLN 13 1HE2 GLN 13 -11.808 5.958 -2.607
86 2HE2 GLN 13 2HE2 GLN 13 -10.043 6.415 -2.353
87 H CYS 14 H CYS 14 -7.082 2.055 1.151
88 HA CYS 14 HA CYS 14 -5.888 0.816 -1.266
89 1HB CYS 14 1HB CYS 14 -5.134 0.613 1.722
90 2HB CYS 14 2HB CYS 14 -4.113 0.086 0.370
91 H ILE 15 H ILE 15 -8.235 -0.556 0.930
92 HA ILE 15 HA ILE 15 -7.354 -3.286 1.068
93 HB ILE 15 HB ILE 15 -10.219 -2.193 1.080
94 1HG1 ILE 15 1HG1 ILE 15 -8.850 -1.127 2.848
95 2HG1 ILE 15 2HG1 ILE 15 -10.174 -2.061 3.462
96 1HG2 ILE 15 3HG2 ILE 15 -9.284 -4.947 2.084
97 2HG2 ILE 15 1HG2 ILE 15 -10.890 -4.233 2.386
98 3HG2 ILE 15 2HG2 ILE 15 -10.392 -4.618 0.734
99 1HD1 ILE 15 3HD1 ILE 15 -7.223 -2.995 3.463
100 2HD1 ILE 15 1HD1 ILE 15 -8.100 -2.320 4.853
101 3HD1 ILE 15 2HD1 ILE 15 -8.580 -3.897 4.185
102 H LYS 16 H LYS 16 -9.722 -1.994 -1.379
103 HA LYS 16 HA LYS 16 -9.752 -4.490 -2.912
104 1HB LYS 16 1HB LYS 16 -11.615 -2.890 -2.950
105 2HB LYS 16 2HB LYS 16 -10.662 -1.694 -3.798
106 1HG LYS 16 1HG LYS 16 -10.434 -3.292 -5.766
107 2HG LYS 16 2HG LYS 16 -11.367 -4.500 -4.880
108 1HD LYS 16 1HD LYS 16 -13.354 -2.898 -4.819
109 2HD LYS 16 2HD LYS 16 -12.394 -1.699 -5.670
110 1HE LYS 16 1HE LYS 16 -13.804 -2.714 -7.323
111 2HE LYS 16 2HE LYS 16 -12.172 -3.283 -7.660
112 1HZ LYS 16 1HZ LYS 16 -14.280 -4.828 -6.214
113 2HZ LYS 16 2HZ LYS 16 -13.790 -5.079 -7.771
114 3HZ LYS 16 3HZ LYS 16 -12.754 -5.381 -6.521
115 HA PRO 17 HA PRO 17 -6.318 -2.533 -5.975
116 1HB PRO 17 1HB PRO 17 -4.939 -0.825 -3.828
117 2HB PRO 17 2HB PRO 17 -4.927 -0.623 -5.593
118 1HG PRO 17 1HG PRO 17 -6.597 0.904 -4.082
119 2HG PRO 17 2HG PRO 17 -7.204 0.205 -5.602
120 1HD PRO 17 1HD PRO 17 -7.689 -0.762 -2.744
121 2HD PRO 17 2HD PRO 17 -8.825 -0.652 -4.117
122 H CYS 18 H CYS 18 -5.441 -3.017 -2.517
123 HA CYS 18 HA CYS 18 -3.024 -4.623 -2.979
124 1HB CYS 18 1HB CYS 18 -4.904 -4.460 -0.539
125 2HB CYS 18 2HB CYS 18 -3.383 -5.356 -0.561
126 H LYS 19 H LYS 19 -6.410 -5.744 -2.204
127 HA LYS 19 HA LYS 19 -5.913 -8.591 -2.512
128 1HB LYS 19 2HB LYS 19 -8.461 -6.877 -2.858
129 2HB LYS 19 1HB LYS 19 -8.486 -8.614 -2.921
130 1HG LYS 19 2HG LYS 19 -7.565 -7.032 -0.447
131 2HG LYS 19 1HG LYS 19 -9.201 -7.595 -0.748
132 1HD LYS 19 1HD LYS 19 -8.325 -10.004 -0.851
133 2HD LYS 19 2HD LYS 19 -6.718 -9.400 -0.429
134 1HE LYS 19 1HE LYS 19 -7.670 -8.443 1.743
135 2HE LYS 19 2HE LYS 19 -9.259 -9.091 1.318
136 1HZ LYS 19 2HZ LYS 19 -8.284 -11.330 1.315
137 2HZ LYS 19 3HZ LYS 19 -6.799 -10.728 1.714
138 3HZ LYS 19 1HZ LYS 19 -8.056 -10.594 2.776
139 H ASP 20 H ASP 20 -7.173 -6.262 -4.930
140 HA ASP 20 HA ASP 20 -7.407 -8.059 -7.182
141 1HB ASP 20 1HB ASP 20 -8.331 -5.687 -6.976
142 2HB ASP 20 2HB ASP 20 -6.720 -5.044 -7.227
143 H ALA 21 H ALA 21 -4.475 -6.263 -6.127
144 HA ALA 21 HA ALA 21 -2.722 -7.191 -8.335
145 1HB ALA 21 2HB ALA 21 -2.151 -5.179 -6.968
146 2HB ALA 21 3HB ALA 21 -1.995 -6.178 -5.502
147 3HB ALA 21 1HB ALA 21 -0.858 -6.391 -6.854
148 H GLY 22 H GLY 22 -3.191 -8.366 -4.983
149 1HA GLY 22 1HA GLY 22 -3.319 -10.992 -4.868
150 2HA GLY 22 2HA GLY 22 -1.743 -11.004 -5.650
151 H MET 23 H MET 23 -3.266 -9.238 -2.943
152 HA MET 23 HA MET 23 -0.930 -9.949 -1.092
153 1HB MET 23 1HB MET 23 -2.133 -7.128 -1.286
154 2HB MET 23 2HB MET 23 -0.747 -7.637 -0.353
155 1HG MET 23 1HG MET 23 -0.813 -7.449 -3.424
156 2HG MET 23 2HG MET 23 -0.068 -6.309 -2.311
157 1HE MET 23 1HE MET 23 1.987 -6.949 -4.253
158 2HE MET 23 3HE MET 23 2.433 -6.286 -2.650
159 3HE MET 23 2HE MET 23 3.338 -7.669 -3.326
160 H ARG 24 H ARG 24 -1.411 -9.227 1.174
161 HA ARG 24 HA ARG 24 -3.930 -10.634 2.029
162 1HB ARG 24 1HB ARG 24 -1.689 -9.530 3.831
163 2HB ARG 24 2HB ARG 24 -3.040 -10.535 4.333
164 1HG ARG 24 1HG ARG 24 -2.169 -12.392 2.793
165 2HG ARG 24 2HG ARG 24 -0.773 -11.367 2.448
166 1HD ARG 24 1HD ARG 24 -0.237 -11.304 4.948
167 2HD ARG 24 2HD ARG 24 -1.549 -12.435 5.249
168 HE ARG 24 HE ARG 24 1.132 -13.036 4.031
169 1HH1 ARG 24 2HH2 ARG 24 -2.167 -14.308 4.414
170 2HH1 ARG 24 1HH2 ARG 24 -1.570 -16.001 4.039
171 1HH2 ARG 24 1HH1 ARG 24 1.699 -14.996 3.617
172 2HH2 ARG 24 2HH1 ARG 24 0.472 -16.363 3.618
173 H PHE 25 H PHE 25 -2.438 -7.454 2.904
174 HA PHE 25 HA PHE 25 -5.243 -6.384 3.568
175 1HB PHE 25 1HB PHE 25 -2.694 -5.886 5.249
176 2HB PHE 25 2HB PHE 25 -4.267 -5.203 5.552
177 HD1 PHE 25 HD2 PHE 25 -6.277 -6.816 6.063
178 HD2 PHE 25 HD1 PHE 25 -2.159 -8.046 6.258
179 HE1 PHE 25 HE2 PHE 25 -6.906 -8.742 7.462
180 HE2 PHE 25 HE1 PHE 25 -2.804 -9.965 7.650
181 HZ PHE 25 HZ PHE 25 -5.175 -10.320 8.254
182 H GLY 26 H GLY 26 -5.283 -4.070 3.799
183 1HA GLY 26 1HA GLY 26 -3.391 -2.520 1.910
184 2HA GLY 26 2HA GLY 26 -5.133 -2.360 1.774
185 H LYS 27 H LYS 27 -2.334 -1.584 3.635
186 HA LYS 27 HA LYS 27 -3.954 0.192 5.569
187 1HB LYS 27 1HB LYS 27 -1.269 -1.261 6.017
188 2HB LYS 27 2HB LYS 27 -1.901 -0.021 7.087
189 1HG LYS 27 2HG LYS 27 -3.900 -1.345 7.635
190 2HG LYS 27 1HG LYS 27 -3.493 -2.595 6.474
191 1HD LYS 27 1HD LYS 27 -1.731 -1.887 8.910
192 2HD LYS 27 2HD LYS 27 -2.995 -3.113 8.919
193 1HE LYS 27 1HE LYS 27 -1.810 -4.392 7.073
194 2HE LYS 27 2HE LYS 27 -0.508 -3.196 7.077
195 1HZ LYS 27 3HZ LYS 27 -1.282 -4.890 9.402
196 2HZ LYS 27 1HZ LYS 27 0.045 -5.105 8.442
197 3HZ LYS 27 2HZ LYS 27 -0.067 -3.770 9.408
198 H CYS 28 H CYS 28 -3.775 2.221 4.940
199 HA CYS 28 HA CYS 28 -1.646 2.993 2.989
200 1HB CYS 28 1HB CYS 28 -4.125 3.545 2.655
201 2HB CYS 28 2HB CYS 28 -3.937 4.831 3.854
202 H MET 29 H MET 29 0.029 4.168 3.347
203 HA MET 29 HA MET 29 0.497 5.752 5.913
204 1HB MET 29 1HB MET 29 2.348 5.170 3.506
205 2HB MET 29 2HB MET 29 2.800 6.155 4.882
206 1HG MET 29 1HG MET 29 2.110 3.168 5.056
207 2HG MET 29 2HG MET 29 3.721 3.879 5.140
208 1HE MET 29 3HE MET 29 4.805 4.897 7.257
209 2HE MET 29 2HE MET 29 3.759 6.342 7.086
210 3HE MET 29 1HE MET 29 3.896 5.518 8.666
211 H ASN 30 H ASN 30 1.917 7.939 4.901
212 HA ASN 30 HA ASN 30 -0.346 9.766 4.617
213 1HB ASN 30 1HB ASN 30 2.672 10.324 4.325
214 2HB ASN 30 2HB ASN 30 1.444 11.574 4.287
215 1HD2 ASN 30 1HD2 ASN 30 0.955 11.533 7.861
216 2HD2 ASN 30 2HD2 ASN 30 0.257 12.070 6.245
217 H ARG 31 H ARG 31 -1.504 9.620 2.921
218 HA ARG 31 HA ARG 31 -2.371 9.772 0.775
219 1HB ARG 31 1HB ARG 31 0.184 11.278 -0.044
220 2HB ARG 31 2HB ARG 31 -1.318 11.238 -0.948
221 1HG ARG 31 1HG ARG 31 -1.057 12.504 1.849
222 2HG ARG 31 2HG ARG 31 -0.858 13.348 0.337
223 1HD ARG 31 1HD ARG 31 -3.069 13.866 1.101
224 2HD ARG 31 2HD ARG 31 -3.220 12.873 -0.331
225 HE ARG 31 HE ARG 31 -4.337 11.181 0.928
226 1HH1 ARG 31 2HH2 ARG 31 -2.809 13.413 3.237
227 2HH1 ARG 31 1HH2 ARG 31 -3.683 12.589 4.624
228 1HH2 ARG 31 1HH1 ARG 31 -5.273 10.324 2.572
229 2HH2 ARG 31 2HH1 ARG 31 -4.984 10.957 4.270
230 H LYS 32 H LYS 32 -0.197 7.461 1.292
231 HA LYS 32 HA LYS 32 -0.527 6.375 -1.517
232 1HB LYS 32 1HB LYS 32 2.268 6.758 -0.265
233 2HB LYS 32 2HB LYS 32 1.962 5.602 -1.549
234 1HG LYS 32 2HG LYS 32 1.524 8.629 -1.823
235 2HG LYS 32 1HG LYS 32 2.931 7.733 -2.361
236 1HD LYS 32 1HD LYS 32 1.501 6.367 -3.936
237 2HD LYS 32 2HD LYS 32 0.072 7.270 -3.430
238 1HE LYS 32 1HE LYS 32 1.119 9.425 -4.259
239 2HE LYS 32 2HE LYS 32 2.541 8.520 -4.802
240 1HZ LYS 32 3HZ LYS 32 -0.245 8.083 -5.773
241 2HZ LYS 32 1HZ LYS 32 0.960 8.852 -6.600
242 3HZ LYS 32 2HZ LYS 32 1.079 7.236 -6.282
243 H CYS 33 H CYS 33 -0.997 4.381 -1.545
244 HA CYS 33 HA CYS 33 -1.548 2.779 0.768
245 1HB CYS 33 1HB CYS 33 -1.283 2.016 -2.206
246 2HB CYS 33 2HB CYS 33 -1.885 0.889 -0.980
247 H HIS 34 H HIS 34 -0.525 1.224 1.904
248 HA HIS 34 HA HIS 34 2.008 -0.105 0.774
249 1HB HIS 34 1HB HIS 34 1.500 0.899 3.635
250 2HB HIS 34 2HB HIS 34 2.536 -0.475 3.348
251 HD1 HIS 34 HD1 HIS 34 5.056 0.018 2.860
252 HD2 HIS 34 HD2 HIS 34 2.364 3.257 2.020
253 HE1 HIS 34 HE1 HIS 34 6.370 2.131 2.202
254 HE2 HIS 34 HE2 HIS 34 4.844 4.144 1.684
255 H CYS 35 H CYS 35 1.359 -1.993 0.144
256 HA CYS 35 HA CYS 35 -0.898 -3.498 1.439
257 1HB CYS 35 1HB CYS 35 0.890 -4.283 -0.953
258 2HB CYS 35 2HB CYS 35 -0.547 -5.150 -0.384
259 H THR 36 H THR 36 -0.708 -5.407 2.576
260 HA THR 36 HA THR 36 2.009 -6.206 3.684
261 HB THR 36 HB THR 36 -0.797 -7.216 4.429
262 HG1 THR 36 HG1 THR 36 -0.379 -5.999 6.278
263 1HG2 THR 36 3HG2 THR 36 1.916 -7.729 5.827
264 2HG2 THR 36 1HG2 THR 36 0.314 -8.177 6.463
265 3HG2 THR 36 2HG2 THR 36 0.928 -8.956 4.990
266 HA PRO 37 HA PRO 37 1.687 -8.885 -0.012
267 1HB PRO 37 1HB PRO 37 4.214 -10.093 -0.048
268 2HB PRO 37 2HB PRO 37 3.910 -8.396 -0.433
269 1HG PRO 37 1HG PRO 37 4.835 -9.564 2.241
270 2HG PRO 37 2HG PRO 37 5.527 -8.183 1.355
271 1HD PRO 37 1HD PRO 37 3.733 -7.837 3.437
272 2HD PRO 37 2HD PRO 37 3.743 -6.723 2.039
273 H LYS 38 H LYS 38 1.308 -10.903 -0.722
274 HA LYS 38 HA LYS 38 0.763 -13.065 1.385
275 1HB LYS 38 1HB LYS 38 -1.184 -11.944 0.232
276 2HB LYS 38 2HB LYS 38 -0.628 -12.549 -1.317
277 1HG LYS 38 1HG LYS 38 -1.060 -14.892 -0.604
278 2HG LYS 38 2HG LYS 38 -1.318 -14.385 1.060
279 1HD LYS 38 1HD LYS 38 -3.479 -14.824 0.092
280 2HD LYS 38 2HD LYS 38 -3.360 -13.102 0.432
281 1HE LYS 38 1HE LYS 38 -2.880 -12.663 -2.045
282 2HE LYS 38 2HE LYS 38 -3.014 -14.398 -2.366
283 1HZ LYS 38 1HZ LYS 38 -5.185 -12.675 -1.263
284 2HZ LYS 38 2HZ LYS 38 -5.087 -13.237 -2.813
285 3HZ LYS 38 3HZ LYS 38 -5.322 -14.294 -1.565
No H/Q in entry = 285
Start of MODEL 13
Raw file had 289 H/Q atoms
Start of MODEL 13
1 1H GLY 1 3H GLY 1 4.633 -1.658 4.199
2 2H GLY 1 1H GLY 1 3.326 -2.419 3.532
3 3H GLY 1 2H GLY 1 3.874 -2.872 5.024
4 1HA GLY 1 2HA GLY 1 5.945 -3.714 4.115
5 2HA GLY 1 1HA GLY 1 4.558 -4.539 3.414
6 H VAL 2 H VAL 2 4.103 -4.216 1.248
7 HA VAL 2 HA VAL 2 6.349 -3.107 -0.442
8 HB VAL 2 HB VAL 2 3.959 -4.890 -1.175
9 1HG1 VAL 2 1HG2 VAL 2 6.261 -3.962 -3.026
10 2HG1 VAL 2 2HG2 VAL 2 5.059 -5.221 -3.414
11 3HG1 VAL 2 3HG2 VAL 2 4.540 -3.545 -3.203
12 1HG2 VAL 2 2HG1 VAL 2 5.773 -6.052 0.154
13 2HG2 VAL 2 3HG1 VAL 2 5.708 -6.658 -1.508
14 3HG2 VAL 2 1HG1 VAL 2 6.992 -5.523 -1.023
15 HA PRO 3 HA PRO 3 3.519 0.547 -0.986
16 1HB PRO 3 1HB PRO 3 5.252 2.276 -2.291
17 2HB PRO 3 2HB PRO 3 5.311 1.915 -0.565
18 1HG PRO 3 1HG PRO 3 7.019 0.692 -2.779
19 2HG PRO 3 2HG PRO 3 7.556 1.321 -1.203
20 1HD PRO 3 1HD PRO 3 7.135 -1.382 -1.666
21 2HD PRO 3 2HD PRO 3 6.836 -0.655 -0.058
22 H ILE 4 H ILE 4 1.931 0.305 -2.396
23 HA ILE 4 HA ILE 4 2.467 0.039 -5.401
24 HB ILE 4 HB ILE 4 0.142 -0.502 -5.765
25 1HG1 ILE 4 1HG1 ILE 4 -0.332 -0.703 -2.730
26 2HG1 ILE 4 2HG1 ILE 4 -0.887 0.615 -3.745
27 1HG2 ILE 4 2HG2 ILE 4 1.844 -2.319 -5.474
28 2HG2 ILE 4 3HG2 ILE 4 1.401 -2.469 -3.757
29 3HG2 ILE 4 1HG2 ILE 4 0.218 -2.858 -5.029
30 1HD1 ILE 4 2HD1 ILE 4 -2.321 -0.918 -5.108
31 2HD1 ILE 4 3HD1 ILE 4 -1.842 -2.286 -4.069
32 3HD1 ILE 4 1HD1 ILE 4 -2.744 -0.920 -3.381
33 H ASN 5 H ASN 5 1.860 1.631 -6.740
34 HA ASN 5 HA ASN 5 1.589 4.364 -5.565
35 1HB ASN 5 1HB ASN 5 1.938 5.262 -7.777
36 2HB ASN 5 2HB ASN 5 3.174 4.120 -7.306
37 1HD2 ASN 5 1HD2 ASN 5 2.553 1.975 -10.146
38 2HD2 ASN 5 2HD2 ASN 5 3.373 2.121 -8.505
39 H VAL 6 H VAL 6 -0.366 4.390 -4.618
40 HA VAL 6 HA VAL 6 -2.814 4.848 -6.367
41 HB VAL 6 HB VAL 6 -2.778 2.842 -4.014
42 1HG1 VAL 6 3HG2 VAL 6 -4.912 4.160 -3.950
43 2HG1 VAL 6 1HG2 VAL 6 -5.218 3.788 -5.665
44 3HG1 VAL 6 2HG2 VAL 6 -5.215 2.492 -4.441
45 1HG2 VAL 6 1HG1 VAL 6 -3.400 2.361 -7.004
46 2HG2 VAL 6 2HG1 VAL 6 -1.990 1.745 -6.105
47 3HG2 VAL 6 3HG1 VAL 6 -3.605 1.163 -5.700
48 H SER 7 H SER 7 -3.503 6.763 -5.775
49 HA SER 7 HA SER 7 -2.517 8.149 -3.348
50 1HB SER 7 1HB SER 7 -3.712 10.148 -4.162
51 2HB SER 7 2HB SER 7 -2.688 9.418 -5.397
52 HG SER 7 HG SER 7 -5.495 9.069 -5.127
53 H CYS 8 H CYS 8 -3.384 8.006 -1.429
54 HA CYS 8 HA CYS 8 -6.083 6.762 -1.005
55 1HB CYS 8 1HB CYS 8 -4.072 7.705 1.142
56 2HB CYS 8 2HB CYS 8 -5.468 6.639 1.377
57 H THR 9 H THR 9 -7.664 7.453 0.283
58 HA THR 9 HA THR 9 -7.675 10.211 1.539
59 HB THR 9 HB THR 9 -8.828 10.666 -0.525
60 HG1 THR 9 HG1 THR 9 -10.593 10.435 1.667
61 1HG2 THR 9 2HG2 THR 9 -9.815 8.459 -1.211
62 2HG2 THR 9 3HG2 THR 9 -10.980 8.555 0.135
63 3HG2 THR 9 1HG2 THR 9 -11.029 9.756 -1.172
64 H GLY 10 H GLY 10 -6.917 8.551 3.063
65 1HA GLY 10 1HA GLY 10 -7.732 7.770 5.343
66 2HA GLY 10 2HA GLY 10 -9.197 7.152 4.598
67 H SER 11 H SER 11 -7.478 5.692 6.205
68 HA SER 11 HA SER 11 -5.718 3.858 4.766
69 1HB SER 11 1HB SER 11 -5.687 2.473 6.770
70 2HB SER 11 2HB SER 11 -5.464 4.173 7.155
71 HG SER 11 HG SER 11 -7.887 2.708 7.364
72 HA PRO 12 HA PRO 12 -9.136 0.473 4.297
73 1HB PRO 12 1HB PRO 12 -11.820 1.138 4.074
74 2HB PRO 12 2HB PRO 12 -10.993 0.799 5.596
75 1HG PRO 12 1HG PRO 12 -11.581 3.536 4.378
76 2HG PRO 12 2HG PRO 12 -11.892 2.994 6.045
77 1HD PRO 12 2HD PRO 12 -9.677 4.454 5.356
78 2HD PRO 12 1HD PRO 12 -9.575 3.230 6.654
79 H GLN 13 H GLN 13 -9.198 3.429 2.538
80 HA GLN 13 HA GLN 13 -10.254 2.632 -0.050
81 1HB GLN 13 1HB GLN 13 -7.919 4.567 0.571
82 2HB GLN 13 2HB GLN 13 -8.681 4.423 -0.998
83 1HG GLN 13 1HG GLN 13 -10.056 5.408 1.566
84 2HG GLN 13 2HG GLN 13 -9.478 6.394 0.250
85 1HE2 GLN 13 1HE2 GLN 13 -12.377 5.663 -1.828
86 2HE2 GLN 13 2HE2 GLN 13 -10.618 6.206 -1.868
87 H CYS 14 H CYS 14 -6.979 2.025 1.240
88 HA CYS 14 HA CYS 14 -5.872 0.893 -1.266
89 1HB CYS 14 1HB CYS 14 -4.947 0.668 1.674
90 2HB CYS 14 2HB CYS 14 -3.979 0.195 0.264
91 H ILE 15 H ILE 15 -7.941 -0.651 1.124
92 HA ILE 15 HA ILE 15 -6.833 -3.310 1.091
93 HB ILE 15 HB ILE 15 -9.743 -2.525 1.630
94 1HG1 ILE 15 1HG1 ILE 15 -7.415 -2.958 3.621
95 2HG1 ILE 15 2HG1 ILE 15 -8.005 -1.388 3.128
96 1HG2 ILE 15 2HG2 ILE 15 -9.559 -5.003 1.202
97 2HG2 ILE 15 3HG2 ILE 15 -8.261 -5.134 2.412
98 3HG2 ILE 15 1HG2 ILE 15 -9.920 -4.698 2.895
99 1HD1 ILE 15 2HD1 ILE 15 -10.283 -1.883 4.107
100 2HD1 ILE 15 3HD1 ILE 15 -9.635 -3.420 4.752
101 3HD1 ILE 15 1HD1 ILE 15 -8.955 -1.872 5.293
102 H LYS 16 H LYS 16 -9.542 -2.108 -1.058
103 HA LYS 16 HA LYS 16 -9.682 -4.595 -2.602
104 1HB LYS 16 2HB LYS 16 -10.732 -1.753 -3.096
105 2HB LYS 16 1HB LYS 16 -10.864 -3.005 -4.309
106 1HG LYS 16 1HG LYS 16 -12.127 -4.476 -2.701
107 2HG LYS 16 2HG LYS 16 -11.990 -3.237 -1.453
108 1HD LYS 16 1HD LYS 16 -13.249 -1.611 -2.926
109 2HD LYS 16 2HD LYS 16 -13.422 -2.838 -4.169
110 1HE LYS 16 1HE LYS 16 -14.559 -3.076 -1.294
111 2HE LYS 16 2HE LYS 16 -15.467 -2.489 -2.684
112 1HZ LYS 16 1HZ LYS 16 -15.168 -4.655 -3.756
113 2HZ LYS 16 2HZ LYS 16 -14.313 -5.223 -2.461
114 3HZ LYS 16 3HZ LYS 16 -15.906 -4.822 -2.289
115 HA PRO 17 HA PRO 17 -6.566 -2.494 -5.909
116 1HB PRO 17 1HB PRO 17 -5.116 -0.734 -3.853
117 2HB PRO 17 2HB PRO 17 -5.225 -0.537 -5.618
118 1HG PRO 17 2HG PRO 17 -6.854 0.923 -3.999
119 2HG PRO 17 1HG PRO 17 -7.527 0.196 -5.480
120 1HD PRO 17 1HD PRO 17 -7.815 -0.774 -2.600
121 2HD PRO 17 2HD PRO 17 -9.015 -0.743 -3.923
122 H CYS 18 H CYS 18 -5.408 -2.942 -2.532
123 HA CYS 18 HA CYS 18 -3.003 -4.514 -3.137
124 1HB CYS 18 1HB CYS 18 -4.785 -4.414 -0.617
125 2HB CYS 18 2HB CYS 18 -3.270 -5.318 -0.716
126 H LYS 19 H LYS 19 -6.358 -5.608 -2.386
127 HA LYS 19 HA LYS 19 -5.868 -8.466 -2.550
128 1HB LYS 19 2HB LYS 19 -7.869 -7.299 -1.511
129 2HB LYS 19 1HB LYS 19 -8.484 -6.939 -3.116
130 1HG LYS 19 2HG LYS 19 -8.642 -9.435 -3.585
131 2HG LYS 19 1HG LYS 19 -7.995 -9.768 -1.974
132 1HD LYS 19 1HD LYS 19 -9.971 -8.568 -0.934
133 2HD LYS 19 2HD LYS 19 -10.608 -8.218 -2.546
134 1HE LYS 19 1HE LYS 19 -10.800 -10.713 -3.011
135 2HE LYS 19 2HE LYS 19 -10.164 -11.063 -1.396
136 1HZ LYS 19 2HZ LYS 19 -12.676 -9.555 -1.958
137 2HZ LYS 19 3HZ LYS 19 -12.579 -11.118 -1.430
138 3HZ LYS 19 1HZ LYS 19 -12.083 -9.882 -0.451
139 H ASP 20 H ASP 20 -7.182 -6.324 -5.152
140 HA ASP 20 HA ASP 20 -7.069 -8.411 -7.219
141 1HB ASP 20 1HB ASP 20 -7.518 -6.670 -8.877
142 2HB ASP 20 2HB ASP 20 -8.610 -6.607 -7.525
143 H ALA 21 H ALA 21 -4.517 -6.158 -6.197
144 HA ALA 21 HA ALA 21 -2.675 -6.764 -8.442
145 1HB ALA 21 2HB ALA 21 -2.377 -4.727 -7.048
146 2HB ALA 21 3HB ALA 21 -2.063 -5.714 -5.599
147 3HB ALA 21 1HB ALA 21 -0.923 -5.742 -6.965
148 H GLY 22 H GLY 22 -2.784 -8.026 -5.078
149 1HA GLY 22 2HA GLY 22 -2.627 -10.712 -5.279
150 2HA GLY 22 1HA GLY 22 -0.988 -10.392 -5.834
151 H MET 23 H MET 23 -2.960 -9.002 -3.193
152 HA MET 23 HA MET 23 -1.000 -9.986 -1.072
153 1HB MET 23 1HB MET 23 -1.810 -7.010 -1.432
154 2HB MET 23 2HB MET 23 -0.899 -7.672 -0.089
155 1HG MET 23 1HG MET 23 0.862 -6.846 -1.270
156 2HG MET 23 2HG MET 23 0.858 -8.453 -1.991
157 1HE MET 23 3HE MET 23 2.343 -7.062 -3.893
158 2HE MET 23 2HE MET 23 1.655 -5.735 -4.878
159 3HE MET 23 1HE MET 23 1.980 -5.480 -3.137
160 H ARG 24 H ARG 24 -1.783 -9.371 1.120
161 HA ARG 24 HA ARG 24 -4.647 -10.314 1.428
162 1HB ARG 24 1HB ARG 24 -2.472 -9.851 3.552
163 2HB ARG 24 2HB ARG 24 -4.110 -10.363 3.913
164 1HG ARG 24 2HG ARG 24 -3.829 -12.454 2.611
165 2HG ARG 24 1HG ARG 24 -2.195 -12.001 2.146
166 1HD ARG 24 1HD ARG 24 -3.146 -12.394 5.067
167 2HD ARG 24 2HD ARG 24 -2.351 -13.642 4.105
168 HE ARG 24 HE ARG 24 -0.510 -11.484 3.980
169 1HH1 ARG 24 2HH2 ARG 24 -1.981 -13.320 6.645
170 2HH1 ARG 24 1HH2 ARG 24 -0.506 -13.008 7.690
171 1HH2 ARG 24 1HH1 ARG 24 1.115 -11.192 5.253
172 2HH2 ARG 24 2HH1 ARG 24 1.129 -11.884 6.951
173 H PHE 25 H PHE 25 -2.811 -7.700 3.111
174 HA PHE 25 HA PHE 25 -5.453 -6.207 3.486
175 1HB PHE 25 1HB PHE 25 -2.877 -5.934 5.168
176 2HB PHE 25 2HB PHE 25 -4.430 -5.227 5.503
177 HD1 PHE 25 HD2 PHE 25 -6.451 -6.766 6.069
178 HD2 PHE 25 HD1 PHE 25 -2.402 -8.221 5.942
179 HE1 PHE 25 HE2 PHE 25 -7.109 -8.753 7.363
180 HE2 PHE 25 HE1 PHE 25 -3.079 -10.199 7.228
181 HZ PHE 25 HZ PHE 25 -5.431 -10.473 7.941
182 H GLY 26 H GLY 26 -5.271 -3.907 3.760
183 1HA GLY 26 1HA GLY 26 -3.164 -2.478 2.022
184 2HA GLY 26 2HA GLY 26 -4.862 -2.212 1.702
185 H LYS 27 H LYS 27 -2.247 -1.567 3.781
186 HA LYS 27 HA LYS 27 -3.898 0.321 5.553
187 1HB LYS 27 1HB LYS 27 -2.152 0.185 7.250
188 2HB LYS 27 2HB LYS 27 -2.895 -1.363 6.924
189 1HG LYS 27 1HG LYS 27 -0.811 -2.008 5.524
190 2HG LYS 27 2HG LYS 27 -0.095 -0.475 5.986
191 1HD LYS 27 1HD LYS 27 0.843 -2.107 7.429
192 2HD LYS 27 2HD LYS 27 -0.235 -1.143 8.432
193 1HE LYS 27 1HE LYS 27 -1.991 -2.980 8.314
194 2HE LYS 27 2HE LYS 27 -0.957 -3.915 7.227
195 1HZ LYS 27 1HZ LYS 27 -0.261 -3.159 10.025
196 2HZ LYS 27 2HZ LYS 27 -0.742 -4.655 9.515
197 3HZ LYS 27 3HZ LYS 27 0.705 -4.036 9.011
198 H CYS 28 H CYS 28 -3.646 2.381 5.088
199 HA CYS 28 HA CYS 28 -1.555 3.148 3.048
200 1HB CYS 28 1HB CYS 28 -4.045 3.579 2.669
201 2HB CYS 28 2HB CYS 28 -3.929 4.902 3.845
202 H MET 29 H MET 29 0.028 4.454 3.361
203 HA MET 29 HA MET 29 0.442 6.074 5.916
204 1HB MET 29 1HB MET 29 2.282 5.553 3.481
205 2HB MET 29 2HB MET 29 2.708 6.584 4.834
206 1HG MET 29 1HG MET 29 2.170 3.570 5.070
207 2HG MET 29 2HG MET 29 3.748 4.361 5.110
208 1HE MET 29 3HE MET 29 4.816 5.471 7.190
209 2HE MET 29 2HE MET 29 3.696 6.859 7.014
210 3HE MET 29 1HE MET 29 3.902 6.073 8.605
211 H ASN 30 H ASN 30 1.789 8.306 4.722
212 HA ASN 30 HA ASN 30 -0.554 10.055 4.522
213 1HB ASN 30 1HB ASN 30 2.420 10.709 4.018
214 2HB ASN 30 2HB ASN 30 1.139 11.902 4.055
215 1HD2 ASN 30 1HD2 ASN 30 2.590 10.754 7.632
216 2HD2 ASN 30 2HD2 ASN 30 3.293 10.138 6.047
217 H ARG 31 H ARG 31 -1.798 9.720 2.882
218 HA ARG 31 HA ARG 31 -2.737 9.506 0.762
219 1HB ARG 31 1HB ARG 31 -0.571 11.528 -0.077
220 2HB ARG 31 2HB ARG 31 -1.927 11.041 -1.086
221 1HG ARG 31 1HG ARG 31 -3.571 11.872 0.608
222 2HG ARG 31 2HG ARG 31 -2.244 12.411 1.642
223 1HD ARG 31 1HD ARG 31 -1.427 13.953 -0.236
224 2HD ARG 31 2HD ARG 31 -2.777 13.421 -1.228
225 HE ARG 31 HE ARG 31 -4.334 14.711 0.082
226 1HH1 ARG 31 2HH2 ARG 31 -1.132 14.823 1.631
227 2HH1 ARG 31 1HH2 ARG 31 -1.686 16.206 2.701
228 1HH2 ARG 31 1HH1 ARG 31 -4.852 16.283 1.349
229 2HH2 ARG 31 2HH1 ARG 31 -3.651 16.975 2.552
230 H LYS 32 H LYS 32 -0.474 7.523 1.390
231 HA LYS 32 HA LYS 32 -0.105 6.506 -1.489
232 1HB LYS 32 1HB LYS 32 2.180 6.879 0.565
233 2HB LYS 32 2HB LYS 32 2.305 5.904 -0.898
234 1HG LYS 32 1HG LYS 32 1.824 7.921 -2.325
235 2HG LYS 32 2HG LYS 32 1.746 8.927 -0.875
236 1HD LYS 32 1HD LYS 32 4.127 8.302 -0.301
237 2HD LYS 32 2HD LYS 32 4.216 7.297 -1.753
238 1HE LYS 32 1HE LYS 32 3.788 9.349 -3.198
239 2HE LYS 32 2HE LYS 32 3.700 10.354 -1.744
240 1HZ LYS 32 1HZ LYS 32 6.086 8.783 -2.598
241 2HZ LYS 32 2HZ LYS 32 5.902 10.418 -2.736
242 3HZ LYS 32 3HZ LYS 32 6.004 9.722 -1.242
243 H CYS 33 H CYS 33 -0.838 4.534 -1.560
244 HA CYS 33 HA CYS 33 -1.525 2.855 0.696
245 1HB CYS 33 1HB CYS 33 -1.234 2.244 -2.311
246 2HB CYS 33 2HB CYS 33 -1.819 1.037 -1.154
247 H HIS 34 H HIS 34 -0.564 1.229 1.772
248 HA HIS 34 HA HIS 34 1.983 -0.090 0.670
249 1HB HIS 34 1HB HIS 34 1.503 0.921 3.544
250 2HB HIS 34 2HB HIS 34 2.566 -0.423 3.219
251 HD1 HIS 34 HD1 HIS 34 5.051 0.100 2.533
252 HD2 HIS 34 HD2 HIS 34 2.293 3.378 2.244
253 HE1 HIS 34 HE1 HIS 34 6.314 2.299 2.082
254 HE2 HIS 34 HE2 HIS 34 4.746 4.338 1.896
255 H CYS 35 H CYS 35 1.311 -1.994 0.092
256 HA CYS 35 HA CYS 35 -0.949 -3.457 1.390
257 1HB CYS 35 1HB CYS 35 0.983 -4.353 -0.853
258 2HB CYS 35 2HB CYS 35 -0.500 -5.189 -0.341
259 H THR 36 H THR 36 -0.793 -5.629 2.158
260 HA THR 36 HA THR 36 1.859 -6.392 3.539
261 HB THR 36 HB THR 36 -0.996 -7.002 4.475
262 HG1 THR 36 HG1 THR 36 -0.406 -5.593 6.136
263 1HG2 THR 36 3HG2 THR 36 1.710 -7.565 5.865
264 2HG2 THR 36 1HG2 THR 36 0.097 -7.788 6.587
265 3HG2 THR 36 2HG2 THR 36 0.598 -8.798 5.216
266 HA PRO 37 HA PRO 37 1.167 -9.401 0.045
267 1HB PRO 37 1HB PRO 37 3.867 -10.420 1.106
268 2HB PRO 37 2HB PRO 37 3.331 -10.241 -0.579
269 1HG PRO 37 2HG PRO 37 4.906 -8.333 0.509
270 2HG PRO 37 1HG PRO 37 3.509 -7.828 -0.477
271 1HD PRO 37 1HD PRO 37 3.741 -7.864 2.575
272 2HD PRO 37 2HD PRO 37 2.994 -6.647 1.498
273 H LYS 38 H LYS 38 0.786 -11.541 -0.352
274 HA LYS 38 HA LYS 38 -0.183 -13.205 1.951
275 1HB LYS 38 1HB LYS 38 -1.516 -12.925 -0.169
276 2HB LYS 38 2HB LYS 38 -0.237 -13.680 -1.098
277 1HG LYS 38 1HG LYS 38 -1.981 -15.286 -0.812
278 2HG LYS 38 2HG LYS 38 -0.605 -15.855 0.119
279 1HD LYS 38 1HD LYS 38 -1.693 -14.989 2.242
280 2HD LYS 38 2HD LYS 38 -3.060 -14.390 1.293
281 1HE LYS 38 1HE LYS 38 -3.582 -16.766 0.552
282 2HE LYS 38 2HE LYS 38 -2.210 -17.362 1.500
283 1HZ LYS 38 2HZ LYS 38 -4.569 -15.924 2.622
284 2HZ LYS 38 3HZ LYS 38 -4.281 -17.548 2.729
285 3HZ LYS 38 1HZ LYS 38 -3.289 -16.480 3.507
No H/Q in entry = 285
Start of MODEL 14
Raw file had 289 H/Q atoms
Start of MODEL 14
1 1H GLY 1 3H GLY 1 5.283 -4.405 5.042
2 2H GLY 1 1H GLY 1 3.744 -4.954 5.281
3 3H GLY 1 2H GLY 1 4.551 -5.337 3.892
4 1HA GLY 1 1HA GLY 1 2.867 -3.594 3.486
5 2HA GLY 1 2HA GLY 1 3.660 -2.610 4.707
6 H VAL 2 H VAL 2 3.954 -3.956 1.502
7 HA VAL 2 HA VAL 2 6.446 -2.332 0.893
8 HB VAL 2 HB VAL 2 6.527 -3.424 -1.320
9 1HG1 VAL 2 3HG2 VAL 2 7.858 -4.315 0.584
10 2HG1 VAL 2 1HG2 VAL 2 6.535 -5.421 1.024
11 3HG1 VAL 2 2HG2 VAL 2 7.382 -5.610 -0.531
12 1HG2 VAL 2 2HG1 VAL 2 4.134 -4.105 -1.703
13 2HG2 VAL 2 3HG1 VAL 2 5.241 -5.480 -1.861
14 3HG2 VAL 2 1HG1 VAL 2 4.253 -5.302 -0.396
15 HA PRO 3 HA PRO 3 3.707 0.903 -0.631
16 1HB PRO 3 1HB PRO 3 5.483 2.588 -1.966
17 2HB PRO 3 2HB PRO 3 5.394 2.393 -0.218
18 1HG PRO 3 2HG PRO 3 7.329 1.023 -2.145
19 2HG PRO 3 1HG PRO 3 7.708 1.839 -0.607
20 1HD PRO 3 2HD PRO 3 7.438 -0.905 -0.763
21 2HD PRO 3 1HD PRO 3 6.899 -0.015 0.694
22 H ILE 4 H ILE 4 2.239 0.724 -2.131
23 HA ILE 4 HA ILE 4 2.977 0.348 -5.086
24 HB ILE 4 HB ILE 4 0.758 -0.380 -5.618
25 1HG1 ILE 4 1HG1 ILE 4 -0.019 -0.615 -2.649
26 2HG1 ILE 4 2HG1 ILE 4 -0.511 0.705 -3.692
27 1HG2 ILE 4 2HG2 ILE 4 2.525 -2.082 -5.128
28 2HG2 ILE 4 3HG2 ILE 4 1.938 -2.225 -3.453
29 3HG2 ILE 4 1HG2 ILE 4 0.900 -2.711 -4.815
30 1HD1 ILE 4 2HD1 ILE 4 -1.710 -0.849 -5.249
31 2HD1 ILE 4 3HD1 ILE 4 -1.312 -2.218 -4.179
32 3HD1 ILE 4 1HD1 ILE 4 -2.343 -0.893 -3.589
33 H ASN 5 H ASN 5 2.305 1.890 -6.486
34 HA ASN 5 HA ASN 5 1.771 4.590 -5.325
35 1HB ASN 5 1HB ASN 5 2.190 5.532 -7.489
36 2HB ASN 5 2HB ASN 5 3.454 4.433 -7.002
37 1HD2 ASN 5 1HD2 ASN 5 1.841 3.780 -10.616
38 2HD2 ASN 5 2HD2 ASN 5 1.469 5.268 -9.600
39 H VAL 6 H VAL 6 -0.233 4.489 -4.485
40 HA VAL 6 HA VAL 6 -2.593 4.804 -6.376
41 HB VAL 6 HB VAL 6 -2.613 2.815 -4.010
42 1HG1 VAL 6 1HG2 VAL 6 -4.978 3.650 -5.821
43 2HG1 VAL 6 2HG2 VAL 6 -5.000 2.350 -4.603
44 3HG1 VAL 6 3HG2 VAL 6 -4.804 4.028 -4.088
45 1HG2 VAL 6 1HG1 VAL 6 -3.016 2.294 -7.031
46 2HG2 VAL 6 2HG1 VAL 6 -1.643 1.745 -6.038
47 3HG2 VAL 6 3HG1 VAL 6 -3.256 1.091 -5.738
48 H SER 7 H SER 7 -3.388 6.695 -5.847
49 HA SER 7 HA SER 7 -2.556 8.173 -3.433
50 1HB SER 7 1HB SER 7 -3.837 10.084 -4.319
51 2HB SER 7 2HB SER 7 -2.761 9.371 -5.519
52 HG SER 7 HG SER 7 -5.551 8.888 -5.275
53 H CYS 8 H CYS 8 -3.425 8.006 -1.526
54 HA CYS 8 HA CYS 8 -6.101 6.730 -1.073
55 1HB CYS 8 1HB CYS 8 -4.072 7.769 1.016
56 2HB CYS 8 2HB CYS 8 -5.465 6.711 1.321
57 H THR 9 H THR 9 -7.693 7.429 0.195
58 HA THR 9 HA THR 9 -7.726 10.185 1.441
59 HB THR 9 HB THR 9 -8.845 10.665 -0.625
60 HG1 THR 9 HG1 THR 9 -10.642 10.415 1.537
61 1HG2 THR 9 2HG2 THR 9 -9.827 8.480 -1.361
62 2HG2 THR 9 3HG2 THR 9 -11.005 8.545 -0.023
63 3HG2 THR 9 1HG2 THR 9 -11.046 9.772 -1.307
64 H GLY 10 H GLY 10 -6.992 8.543 2.979
65 1HA GLY 10 1HA GLY 10 -7.810 7.735 5.239
66 2HA GLY 10 2HA GLY 10 -9.283 7.142 4.493
67 H SER 11 H SER 11 -7.561 5.628 6.075
68 HA SER 11 HA SER 11 -5.853 3.786 4.536
69 1HB SER 11 1HB SER 11 -7.084 3.419 7.327
70 2HB SER 11 2HB SER 11 -5.954 2.293 6.572
71 HG SER 11 HG SER 11 -4.922 3.819 7.859
72 HA PRO 12 HA PRO 12 -9.703 0.637 4.292
73 1HB PRO 12 1HB PRO 12 -11.842 2.798 3.893
74 2HB PRO 12 2HB PRO 12 -12.027 1.145 4.518
75 1HG PRO 12 2HG PRO 12 -11.938 3.209 6.269
76 2HG PRO 12 1HG PRO 12 -11.000 1.741 6.639
77 1HD PRO 12 2HD PRO 12 -9.981 4.380 5.450
78 2HD PRO 12 1HD PRO 12 -9.261 3.377 6.745
79 H GLN 13 H GLN 13 -9.220 3.559 2.405
80 HA GLN 13 HA GLN 13 -10.275 2.701 -0.183
81 1HB GLN 13 1HB GLN 13 -7.934 4.610 0.483
82 2HB GLN 13 2HB GLN 13 -8.577 4.402 -1.128
83 1HG GLN 13 1HG GLN 13 -10.148 5.509 1.269
84 2HG GLN 13 2HG GLN 13 -9.434 6.439 -0.022
85 1HE2 GLN 13 1HE2 GLN 13 -12.136 5.672 -2.338
86 2HE2 GLN 13 2HE2 GLN 13 -10.372 6.181 -2.234
87 H CYS 14 H CYS 14 -7.075 2.022 1.269
88 HA CYS 14 HA CYS 14 -5.936 0.774 -1.170
89 1HB CYS 14 1HB CYS 14 -5.066 0.607 1.785
90 2HB CYS 14 2HB CYS 14 -4.090 0.092 0.396
91 H ILE 15 H ILE 15 -8.196 -0.606 1.111
92 HA ILE 15 HA ILE 15 -7.300 -3.336 1.217
93 HB ILE 15 HB ILE 15 -10.164 -2.239 1.311
94 1HG1 ILE 15 2HG1 ILE 15 -8.742 -1.199 3.057
95 2HG1 ILE 15 1HG1 ILE 15 -10.052 -2.136 3.696
96 1HG2 ILE 15 3HG2 ILE 15 -9.218 -5.010 2.260
97 2HG2 ILE 15 1HG2 ILE 15 -10.810 -4.289 2.614
98 3HG2 ILE 15 2HG2 ILE 15 -10.358 -4.658 0.945
99 1HD1 ILE 15 3HD1 ILE 15 -7.107 -3.083 3.602
100 2HD1 ILE 15 1HD1 ILE 15 -7.941 -2.420 5.025
101 3HD1 ILE 15 2HD1 ILE 15 -8.447 -3.986 4.351
102 H LYS 16 H LYS 16 -9.736 -2.041 -1.166
103 HA LYS 16 HA LYS 16 -9.777 -4.523 -2.718
104 1HB LYS 16 2HB LYS 16 -11.663 -2.976 -2.747
105 2HB LYS 16 1HB LYS 16 -10.729 -1.719 -3.505
106 1HG LYS 16 1HG LYS 16 -12.204 -2.779 -5.138
107 2HG LYS 16 2HG LYS 16 -10.535 -3.012 -5.599
108 1HD LYS 16 1HD LYS 16 -11.756 -5.038 -6.074
109 2HD LYS 16 2HD LYS 16 -10.591 -5.389 -4.809
110 1HE LYS 16 1HE LYS 16 -12.452 -5.247 -3.064
111 2HE LYS 16 2HE LYS 16 -13.616 -4.874 -4.345
112 1HZ LYS 16 3HZ LYS 16 -12.015 -7.382 -4.158
113 2HZ LYS 16 1HZ LYS 16 -13.618 -7.228 -3.794
114 3HZ LYS 16 2HZ LYS 16 -13.104 -7.040 -5.352
115 HA PRO 17 HA PRO 17 -6.395 -2.501 -5.818
116 1HB PRO 17 1HB PRO 17 -4.998 -0.867 -3.619
117 2HB PRO 17 2HB PRO 17 -4.977 -0.613 -5.378
118 1HG PRO 17 2HG PRO 17 -6.636 0.882 -3.826
119 2HG PRO 17 1HG PRO 17 -7.243 0.238 -5.371
120 1HD PRO 17 2HD PRO 17 -7.772 -0.800 -2.552
121 2HD PRO 17 1HD PRO 17 -8.885 -0.669 -3.941
122 H CYS 18 H CYS 18 -5.567 -3.155 -2.384
123 HA CYS 18 HA CYS 18 -3.129 -4.723 -2.884
124 1HB CYS 18 1HB CYS 18 -5.051 -4.796 -0.468
125 2HB CYS 18 2HB CYS 18 -3.452 -5.550 -0.536
126 H LYS 19 H LYS 19 -6.510 -5.900 -2.160
127 HA LYS 19 HA LYS 19 -5.977 -8.713 -2.631
128 1HB LYS 19 2HB LYS 19 -8.590 -7.079 -2.872
129 2HB LYS 19 1HB LYS 19 -8.528 -8.814 -2.911
130 1HG LYS 19 2HG LYS 19 -7.769 -7.054 -0.523
131 2HG LYS 19 1HG LYS 19 -9.260 -7.936 -0.735
132 1HD LYS 19 1HD LYS 19 -6.462 -9.183 -0.310
133 2HD LYS 19 2HD LYS 19 -7.700 -8.965 0.894
134 1HE LYS 19 1HE LYS 19 -7.901 -11.240 0.395
135 2HE LYS 19 2HE LYS 19 -9.253 -10.534 -0.486
136 1HZ LYS 19 1HZ LYS 19 -6.615 -11.305 -1.663
137 2HZ LYS 19 2HZ LYS 19 -8.032 -12.138 -1.829
138 3HZ LYS 19 3HZ LYS 19 -7.865 -10.645 -2.517
139 H ASP 20 H ASP 20 -7.357 -6.297 -4.886
140 HA ASP 20 HA ASP 20 -7.608 -7.976 -7.222
141 1HB ASP 20 1HB ASP 20 -8.578 -5.638 -6.859
142 2HB ASP 20 2HB ASP 20 -6.990 -4.946 -7.130
143 H ALA 21 H ALA 21 -4.683 -6.151 -6.171
144 HA ALA 21 HA ALA 21 -3.004 -6.921 -8.498
145 1HB ALA 21 2HB ALA 21 -2.429 -4.948 -7.076
146 2HB ALA 21 3HB ALA 21 -2.161 -6.001 -5.664
147 3HB ALA 21 1HB ALA 21 -1.095 -6.116 -7.082
148 H GLY 22 H GLY 22 -3.298 -8.275 -5.195
149 1HA GLY 22 1HA GLY 22 -3.276 -10.903 -5.193
150 2HA GLY 22 2HA GLY 22 -1.737 -10.798 -6.037
151 H MET 23 H MET 23 -3.190 -9.177 -3.204
152 HA MET 23 HA MET 23 -0.889 -10.005 -1.390
153 1HB MET 23 1HB MET 23 -1.655 -7.045 -1.914
154 2HB MET 23 2HB MET 23 -0.562 -7.606 -0.663
155 1HG MET 23 2HG MET 23 0.922 -8.655 -2.526
156 2HG MET 23 1HG MET 23 -0.066 -7.737 -3.680
157 1HE MET 23 3HE MET 23 1.979 -6.419 -4.593
158 2HE MET 23 2HE MET 23 3.136 -5.506 -3.583
159 3HE MET 23 1HE MET 23 3.098 -7.293 -3.498
160 H ARG 24 H ARG 24 -1.295 -9.168 0.865
161 HA ARG 24 HA ARG 24 -3.941 -10.408 1.609
162 1HB ARG 24 1HB ARG 24 -1.503 -9.688 3.346
163 2HB ARG 24 2HB ARG 24 -2.980 -10.409 3.963
164 1HG ARG 24 1HG ARG 24 -2.686 -12.415 2.527
165 2HG ARG 24 2HG ARG 24 -1.217 -11.758 1.824
166 1HD ARG 24 1HD ARG 24 -1.586 -12.362 4.837
167 2HD ARG 24 2HD ARG 24 -0.883 -13.485 3.670
168 HE ARG 24 HE ARG 24 0.638 -11.013 3.471
169 1HH1 ARG 24 2HH2 ARG 24 0.116 -13.636 5.814
170 2HH1 ARG 24 1HH2 ARG 24 1.790 -13.363 6.515
171 1HH2 ARG 24 1HH1 ARG 24 2.525 -10.793 4.348
172 2HH2 ARG 24 2HH1 ARG 24 3.058 -11.864 5.739
173 H PHE 25 H PHE 25 -2.250 -7.620 3.143
174 HA PHE 25 HA PHE 25 -4.999 -6.435 3.783
175 1HB PHE 25 1HB PHE 25 -2.304 -5.974 5.221
176 2HB PHE 25 2HB PHE 25 -3.846 -5.322 5.698
177 HD1 PHE 25 HD2 PHE 25 -5.748 -6.911 6.452
178 HD2 PHE 25 HD1 PHE 25 -1.691 -8.255 5.940
179 HE1 PHE 25 HE2 PHE 25 -6.223 -8.908 7.810
180 HE2 PHE 25 HE1 PHE 25 -2.186 -10.243 7.293
181 HZ PHE 25 HZ PHE 25 -4.449 -10.577 8.230
182 H GLY 26 H GLY 26 -4.988 -4.096 4.115
183 1HA GLY 26 1HA GLY 26 -3.289 -2.485 2.114
184 2HA GLY 26 2HA GLY 26 -5.039 -2.438 1.972
185 H LYS 27 H LYS 27 -2.292 -1.530 3.872
186 HA LYS 27 HA LYS 27 -3.993 0.355 5.614
187 1HB LYS 27 1HB LYS 27 -2.747 -1.434 6.903
188 2HB LYS 27 2HB LYS 27 -1.219 -0.834 6.267
189 1HG LYS 27 1HG LYS 27 -1.695 1.423 7.369
190 2HG LYS 27 2HG LYS 27 -3.206 0.776 8.009
191 1HD LYS 27 1HD LYS 27 -1.912 -0.991 9.272
192 2HD LYS 27 2HD LYS 27 -0.396 -0.366 8.643
193 1HE LYS 27 1HE LYS 27 -2.363 1.251 10.411
194 2HE LYS 27 2HE LYS 27 -0.971 0.360 11.019
195 1HZ LYS 27 1HZ LYS 27 0.484 1.791 9.690
196 2HZ LYS 27 2HZ LYS 27 -0.810 2.639 9.108
197 3HZ LYS 27 3HZ LYS 27 -0.444 2.691 10.718
198 H CYS 28 H CYS 28 -3.775 2.394 5.002
199 HA CYS 28 HA CYS 28 -1.649 3.134 3.000
200 1HB CYS 28 1HB CYS 28 -4.138 3.656 2.636
201 2HB CYS 28 2HB CYS 28 -3.974 4.950 3.831
202 H MET 29 H MET 29 -0.023 4.394 3.347
203 HA MET 29 HA MET 29 0.358 5.999 5.925
204 1HB MET 29 1HB MET 29 2.328 5.390 3.625
205 2HB MET 29 2HB MET 29 2.704 6.358 5.042
206 1HG MET 29 1HG MET 29 1.980 3.373 5.147
207 2HG MET 29 2HG MET 29 3.596 4.075 5.312
208 1HE MET 29 2HE MET 29 3.689 2.594 7.615
209 2HE MET 29 1HE MET 29 2.559 2.843 8.980
210 3HE MET 29 3HE MET 29 1.969 2.114 7.457
211 H ASN 30 H ASN 30 1.913 8.119 4.699
212 HA ASN 30 HA ASN 30 -0.319 9.999 4.486
213 1HB ASN 30 1HB ASN 30 2.686 10.459 3.980
214 2HB ASN 30 2HB ASN 30 1.490 11.741 3.973
215 1HD2 ASN 30 1HD2 ASN 30 1.224 11.845 7.569
216 2HD2 ASN 30 2HD2 ASN 30 0.430 12.331 5.982
217 H ARG 31 H ARG 31 -1.591 9.747 2.868
218 HA ARG 31 HA ARG 31 -2.576 9.638 0.765
219 1HB ARG 31 1HB ARG 31 -0.243 11.362 -0.251
220 2HB ARG 31 2HB ARG 31 -1.787 11.128 -1.052
221 1HG ARG 31 1HG ARG 31 -1.387 12.623 1.607
222 2HG ARG 31 2HG ARG 31 -1.580 13.319 0.020
223 1HD ARG 31 1HD ARG 31 -3.696 13.601 0.958
224 2HD ARG 31 2HD ARG 31 -3.929 12.233 -0.133
225 HE ARG 31 HE ARG 31 -3.315 11.077 2.440
226 1HH1 ARG 31 2HH2 ARG 31 -5.878 13.160 1.126
227 2HH1 ARG 31 1HH2 ARG 31 -7.069 12.486 2.347
228 1HH2 ARG 31 1HH1 ARG 31 -4.749 10.378 3.778
229 2HH2 ARG 31 2HH1 ARG 31 -6.470 11.014 3.748
230 H LYS 32 H LYS 32 -0.376 7.505 1.326
231 HA LYS 32 HA LYS 32 -0.271 6.431 -1.549
232 1HB LYS 32 1HB LYS 32 2.210 6.766 0.268
233 2HB LYS 32 2HB LYS 32 2.157 5.737 -1.160
234 1HG LYS 32 2HG LYS 32 1.591 7.729 -2.604
235 2HG LYS 32 1HG LYS 32 1.738 8.782 -1.195
236 1HD LYS 32 1HD LYS 32 4.128 8.049 -0.877
237 2HD LYS 32 2HD LYS 32 4.020 6.991 -2.275
238 1HE LYS 32 1HE LYS 32 3.644 10.068 -2.370
239 2HE LYS 32 2HE LYS 32 5.163 9.235 -2.687
240 1HZ LYS 32 2HZ LYS 32 4.112 8.100 -4.569
241 2HZ LYS 32 3HZ LYS 32 2.680 8.874 -4.289
242 3HZ LYS 32 1HZ LYS 32 4.012 9.740 -4.740
243 H CYS 33 H CYS 33 -0.967 4.456 -1.557
244 HA CYS 33 HA CYS 33 -1.600 2.827 0.739
245 1HB CYS 33 1HB CYS 33 -1.323 2.127 -2.248
246 2HB CYS 33 2HB CYS 33 -1.884 0.948 -1.052
247 H HIS 34 H HIS 34 -0.623 1.224 1.834
248 HA HIS 34 HA HIS 34 1.946 -0.065 0.743
249 1HB HIS 34 1HB HIS 34 1.378 0.742 3.658
250 2HB HIS 34 2HB HIS 34 2.466 -0.564 3.251
251 HD1 HIS 34 HD1 HIS 34 4.961 0.125 3.043
252 HD2 HIS 34 HD2 HIS 34 2.144 3.257 2.223
253 HE1 HIS 34 HE1 HIS 34 6.186 2.357 2.656
254 HE2 HIS 34 HE2 HIS 34 4.578 4.310 2.154
255 H CYS 35 H CYS 35 1.235 -1.864 -0.023
256 HA CYS 35 HA CYS 35 -0.976 -3.489 1.247
257 1HB CYS 35 1HB CYS 35 0.606 -3.874 -1.375
258 2HB CYS 35 2HB CYS 35 -0.656 -4.977 -0.787
259 H THR 36 H THR 36 -0.616 -5.370 2.353
260 HA THR 36 HA THR 36 2.194 -6.056 3.195
261 HB THR 36 HB THR 36 -0.480 -7.259 4.108
262 HG1 THR 36 HG1 THR 36 -0.044 -5.993 5.923
263 1HG2 THR 36 3HG2 THR 36 2.337 -7.550 5.350
264 2HG2 THR 36 1HG2 THR 36 0.812 -8.115 6.079
265 3HG2 THR 36 2HG2 THR 36 1.402 -8.853 4.575
266 HA PRO 37 HA PRO 37 1.964 -8.782 -0.472
267 1HB PRO 37 1HB PRO 37 4.545 -9.824 -0.542
268 2HB PRO 37 2HB PRO 37 4.126 -8.155 -0.940
269 1HG PRO 37 1HG PRO 37 5.194 -9.222 1.719
270 2HG PRO 37 2HG PRO 37 5.761 -7.806 0.800
271 1HD PRO 37 1HD PRO 37 4.004 -7.575 2.931
272 2HD PRO 37 2HD PRO 37 3.908 -6.465 1.533
273 H LYS 38 H LYS 38 1.372 -10.767 -0.999
274 HA LYS 38 HA LYS 38 0.943 -12.846 1.113
275 1HB LYS 38 1HB LYS 38 -0.811 -12.278 -0.603
276 2HB LYS 38 2HB LYS 38 0.245 -12.816 -1.892
277 1HG LYS 38 1HG LYS 38 -1.370 -14.533 -1.531
278 2HG LYS 38 2HG LYS 38 0.167 -15.175 -0.977
279 1HD LYS 38 1HD LYS 38 -0.539 -14.631 1.446
280 2HD LYS 38 2HD LYS 38 -2.063 -14.022 0.816
281 1HE LYS 38 1HE LYS 38 -2.513 -16.232 1.624
282 2HE LYS 38 2HE LYS 38 -2.591 -16.335 -0.133
283 1HZ LYS 38 3HZ LYS 38 -0.260 -17.154 1.547
284 2HZ LYS 38 1HZ LYS 38 -1.338 -18.174 0.823
285 3HZ LYS 38 2HZ LYS 38 -0.316 -17.261 -0.100
No H/Q in entry = 285
Start of MODEL 15
Raw file had 289 H/Q atoms
Start of MODEL 15
1 1H GLY 1 1H GLY 1 6.107 -3.821 4.444
2 2H GLY 1 2H GLY 1 4.646 -4.194 5.121
3 3H GLY 1 3H GLY 1 5.028 -4.761 3.617
4 1HA GLY 1 1HA GLY 1 3.436 -2.893 3.476
5 2HA GLY 1 2HA GLY 1 4.593 -1.906 4.358
6 H VAL 2 H VAL 2 4.080 -3.672 1.354
7 HA VAL 2 HA VAL 2 6.384 -2.259 -0.020
8 HB VAL 2 HB VAL 2 5.928 -3.657 -2.013
9 1HG1 VAL 2 3HG2 VAL 2 7.692 -4.267 -0.357
10 2HG1 VAL 2 1HG2 VAL 2 6.527 -5.264 0.548
11 3HG1 VAL 2 2HG2 VAL 2 6.987 -5.707 -1.115
12 1HG2 VAL 2 2HG1 VAL 2 3.528 -4.360 -1.707
13 2HG2 VAL 2 3HG1 VAL 2 4.595 -5.762 -1.862
14 3HG2 VAL 2 1HG1 VAL 2 3.975 -5.293 -0.263
15 HA PRO 3 HA PRO 3 3.144 0.687 -1.192
16 1HB PRO 3 1HB PRO 3 4.639 2.670 -2.450
17 2HB PRO 3 2HB PRO 3 4.648 2.353 -0.713
18 1HG PRO 3 1HG PRO 3 6.659 1.362 -2.795
19 2HG PRO 3 2HG PRO 3 7.000 2.130 -1.225
20 1HD PRO 3 1HD PRO 3 7.054 -0.619 -1.557
21 2HD PRO 3 2HD PRO 3 6.511 0.118 -0.017
22 H ILE 4 H ILE 4 1.696 0.808 -2.714
23 HA ILE 4 HA ILE 4 2.391 0.327 -5.664
24 HB ILE 4 HB ILE 4 0.077 -0.258 -6.117
25 1HG1 ILE 4 1HG1 ILE 4 -0.554 -0.471 -3.115
26 2HG1 ILE 4 2HG1 ILE 4 -0.998 0.923 -4.084
27 1HG2 ILE 4 2HG2 ILE 4 1.765 -2.053 -5.712
28 2HG2 ILE 4 3HG2 ILE 4 1.264 -2.157 -4.008
29 3HG2 ILE 4 1HG2 ILE 4 0.127 -2.584 -5.308
30 1HD1 ILE 4 2HD1 ILE 4 -2.388 -0.513 -5.623
31 2HD1 ILE 4 3HD1 ILE 4 -2.017 -1.935 -4.618
32 3HD1 ILE 4 1HD1 ILE 4 -2.930 -0.574 -3.929
33 H ASN 5 H ASN 5 1.214 1.620 -7.170
34 HA ASN 5 HA ASN 5 1.195 4.512 -6.351
35 1HB ASN 5 1HB ASN 5 1.108 5.103 -8.670
36 2HB ASN 5 2HB ASN 5 2.390 3.965 -8.344
37 1HD2 ASN 5 1HD2 ASN 5 -0.117 2.988 -11.313
38 2HD2 ASN 5 2HD2 ASN 5 -0.115 4.633 -10.489
39 H VAL 6 H VAL 6 -0.548 4.460 -4.956
40 HA VAL 6 HA VAL 6 -3.264 4.978 -6.220
41 HB VAL 6 HB VAL 6 -2.774 2.862 -4.028
42 1HG1 VAL 6 1HG2 VAL 6 -5.520 4.056 -4.801
43 2HG1 VAL 6 2HG2 VAL 6 -5.254 2.641 -3.746
44 3HG1 VAL 6 3HG2 VAL 6 -4.705 4.237 -3.230
45 1HG2 VAL 6 1HG1 VAL 6 -4.265 2.672 -6.731
46 2HG2 VAL 6 2HG1 VAL 6 -2.701 1.922 -6.332
47 3HG2 VAL 6 3HG1 VAL 6 -4.166 1.374 -5.516
48 H SER 7 H SER 7 -3.591 6.976 -5.604
49 HA SER 7 HA SER 7 -2.323 8.162 -3.163
50 1HB SER 7 1HB SER 7 -3.214 10.334 -3.914
51 2HB SER 7 2HB SER 7 -2.278 9.511 -5.161
52 HG SER 7 HG SER 7 -4.260 8.804 -6.073
53 H CYS 8 H CYS 8 -3.231 7.975 -1.281
54 HA CYS 8 HA CYS 8 -6.056 7.056 -0.970
55 1HB CYS 8 1HB CYS 8 -3.978 7.571 1.259
56 2HB CYS 8 2HB CYS 8 -5.464 6.623 1.371
57 H THR 9 H THR 9 -7.523 7.737 0.469
58 HA THR 9 HA THR 9 -7.475 10.607 1.528
59 HB THR 9 HB THR 9 -9.414 10.096 0.050
60 HG1 THR 9 HG1 THR 9 -9.973 10.635 2.765
61 1HG2 THR 9 2HG2 THR 9 -9.982 7.702 0.803
62 2HG2 THR 9 3HG2 THR 9 -10.590 8.381 2.329
63 3HG2 THR 9 1HG2 THR 9 -11.360 8.828 0.790
64 H GLY 10 H GLY 10 -8.137 7.209 2.419
65 1HA GLY 10 2HA GLY 10 -6.755 7.572 5.057
66 2HA GLY 10 1HA GLY 10 -8.443 7.045 5.200
67 H SER 11 H SER 11 -7.710 5.020 6.024
68 HA SER 11 HA SER 11 -5.899 3.192 4.566
69 1HB SER 11 1HB SER 11 -7.833 2.564 6.870
70 2HB SER 11 2HB SER 11 -6.683 1.421 6.174
71 HG SER 11 HG SER 11 -5.852 2.514 7.955
72 HA PRO 12 HA PRO 12 -9.947 0.709 3.137
73 1HB PRO 12 1HB PRO 12 -11.699 3.141 2.472
74 2HB PRO 12 2HB PRO 12 -12.198 1.489 2.901
75 1HG PRO 12 2HG PRO 12 -12.245 3.410 4.808
76 2HG PRO 12 1HG PRO 12 -11.582 1.810 5.226
77 1HD PRO 12 1HD PRO 12 -10.033 4.363 4.532
78 2HD PRO 12 2HD PRO 12 -9.726 3.170 5.826
79 H GLN 13 H GLN 13 -9.039 3.736 1.435
80 HA GLN 13 HA GLN 13 -9.647 2.766 -1.269
81 1HB GLN 13 1HB GLN 13 -7.789 5.012 -0.255
82 2HB GLN 13 2HB GLN 13 -7.840 4.581 -1.951
83 1HG GLN 13 2HG GLN 13 -10.400 4.873 -1.908
84 2HG GLN 13 1HG GLN 13 -10.231 5.555 -0.295
85 1HE2 GLN 13 1HE2 GLN 13 -10.302 8.445 -2.621
86 2HE2 GLN 13 2HE2 GLN 13 -11.424 7.128 -1.994
87 H CYS 14 H CYS 14 -6.811 2.041 0.694
88 HA CYS 14 HA CYS 14 -5.307 0.820 -1.629
89 1HB CYS 14 1HB CYS 14 -4.774 0.709 1.416
90 2HB CYS 14 2HB CYS 14 -3.671 0.131 0.149
91 H ILE 15 H ILE 15 -7.576 -0.392 0.843
92 HA ILE 15 HA ILE 15 -6.654 -3.119 0.950
93 HB ILE 15 HB ILE 15 -9.501 -2.142 1.521
94 1HG1 ILE 15 2HG1 ILE 15 -7.111 -2.479 3.455
95 2HG1 ILE 15 1HG1 ILE 15 -7.728 -0.945 2.879
96 1HG2 ILE 15 2HG2 ILE 15 -9.413 -4.656 1.278
97 2HG2 ILE 15 3HG2 ILE 15 -8.091 -4.737 2.467
98 3HG2 ILE 15 1HG2 ILE 15 -9.722 -4.205 2.949
99 1HD1 ILE 15 2HD1 ILE 15 -9.977 -1.436 4.000
100 2HD1 ILE 15 3HD1 ILE 15 -9.210 -2.861 4.755
101 3HD1 ILE 15 1HD1 ILE 15 -8.587 -1.231 5.097
102 H LYS 16 H LYS 16 -9.412 -1.910 -1.095
103 HA LYS 16 HA LYS 16 -9.753 -4.491 -2.455
104 1HB LYS 16 2HB LYS 16 -11.586 -2.912 -2.224
105 2HB LYS 16 1HB LYS 16 -10.791 -1.709 -3.205
106 1HG LYS 16 1HG LYS 16 -10.920 -3.311 -5.208
107 2HG LYS 16 2HG LYS 16 -11.679 -4.499 -4.163
108 1HD LYS 16 1HD LYS 16 -13.439 -3.546 -5.378
109 2HD LYS 16 2HD LYS 16 -13.635 -2.882 -3.773
110 1HE LYS 16 1HE LYS 16 -12.252 -1.363 -6.112
111 2HE LYS 16 2HE LYS 16 -13.989 -1.315 -5.825
112 1HZ LYS 16 2HZ LYS 16 -13.580 -0.343 -3.637
113 2HZ LYS 16 3HZ LYS 16 -11.946 -0.376 -3.880
114 3HZ LYS 16 1HZ LYS 16 -12.903 0.579 -4.829
115 HA PRO 17 HA PRO 17 -6.971 -2.723 -6.239
116 1HB PRO 17 1HB PRO 17 -5.294 -0.859 -4.447
117 2HB PRO 17 2HB PRO 17 -5.528 -0.777 -6.203
118 1HG PRO 17 1HG PRO 17 -6.997 0.837 -4.639
119 2HG PRO 17 2HG PRO 17 -7.836 -0.039 -5.939
120 1HD PRO 17 1HD PRO 17 -7.776 -0.735 -2.953
121 2HD PRO 17 2HD PRO 17 -9.141 -0.759 -4.108
122 H CYS 18 H CYS 18 -5.375 -2.879 -3.018
123 HA CYS 18 HA CYS 18 -3.085 -4.522 -3.870
124 1HB CYS 18 1HB CYS 18 -4.280 -3.870 -1.110
125 2HB CYS 18 2HB CYS 18 -2.889 -4.925 -1.311
126 H LYS 19 H LYS 19 -6.142 -5.517 -2.192
127 HA LYS 19 HA LYS 19 -5.523 -8.350 -2.088
128 1HB LYS 19 1HB LYS 19 -7.309 -7.100 -0.776
129 2HB LYS 19 2HB LYS 19 -8.316 -7.044 -2.217
130 1HG LYS 19 2HG LYS 19 -8.390 -9.575 -2.241
131 2HG LYS 19 1HG LYS 19 -7.295 -9.625 -0.858
132 1HD LYS 19 1HD LYS 19 -8.997 -8.363 0.531
133 2HD LYS 19 2HD LYS 19 -10.109 -8.327 -0.829
134 1HE LYS 19 1HE LYS 19 -9.058 -10.915 0.518
135 2HE LYS 19 2HE LYS 19 -10.577 -10.121 0.924
136 1HZ LYS 19 1HZ LYS 19 -11.344 -10.495 -1.357
137 2HZ LYS 19 2HZ LYS 19 -9.928 -11.247 -1.754
138 3HZ LYS 19 3HZ LYS 19 -10.935 -11.922 -0.632
139 H ASP 20 H ASP 20 -7.409 -6.609 -4.589
140 HA ASP 20 HA ASP 20 -7.756 -8.891 -6.408
141 1HB ASP 20 1HB ASP 20 -7.721 -5.859 -7.010
142 2HB ASP 20 2HB ASP 20 -8.095 -7.072 -8.215
143 H ALA 21 H ALA 21 -5.035 -6.550 -6.207
144 HA ALA 21 HA ALA 21 -3.572 -7.542 -8.564
145 1HB ALA 21 2HB ALA 21 -3.057 -5.335 -7.519
146 2HB ALA 21 3HB ALA 21 -2.500 -6.130 -6.026
147 3HB ALA 21 1HB ALA 21 -1.603 -6.356 -7.542
148 H GLY 22 H GLY 22 -3.147 -8.335 -5.091
149 1HA GLY 22 2HA GLY 22 -2.862 -11.047 -5.025
150 2HA GLY 22 1HA GLY 22 -1.296 -10.673 -5.738
151 H MET 23 H MET 23 -3.202 -9.154 -3.122
152 HA MET 23 HA MET 23 -0.934 -9.669 -1.124
153 1HB MET 23 1HB MET 23 -2.492 -7.037 -1.205
154 2HB MET 23 2HB MET 23 -1.063 -7.409 -0.268
155 1HG MET 23 1HG MET 23 -1.098 -6.989 -3.315
156 2HG MET 23 2HG MET 23 -0.564 -5.833 -2.094
157 1HE MET 23 3HE MET 23 1.758 -5.509 -3.252
158 2HE MET 23 2HE MET 23 2.849 -6.851 -3.706
159 3HE MET 23 1HE MET 23 1.280 -6.652 -4.546
160 H ARG 24 H ARG 24 -1.690 -9.018 1.117
161 HA ARG 24 HA ARG 24 -4.346 -10.410 1.752
162 1HB ARG 24 1HB ARG 24 -1.980 -9.796 3.624
163 2HB ARG 24 2HB ARG 24 -3.534 -10.426 4.146
164 1HG ARG 24 2HG ARG 24 -3.231 -12.458 2.686
165 2HG ARG 24 1HG ARG 24 -1.648 -11.877 2.200
166 1HD ARG 24 2HD ARG 24 -2.440 -12.484 5.126
167 2HD ARG 24 1HD ARG 24 -1.665 -13.643 4.039
168 HE ARG 24 HE ARG 24 0.028 -11.291 4.050
169 1HH1 ARG 24 2HH2 ARG 24 -0.979 -13.826 6.331
170 2HH1 ARG 24 1HH2 ARG 24 0.617 -13.678 7.222
171 1HH2 ARG 24 1HH1 ARG 24 1.809 -11.209 5.139
172 2HH2 ARG 24 2HH1 ARG 24 2.088 -12.297 6.592
173 H PHE 25 H PHE 25 -2.464 -7.603 3.023
174 HA PHE 25 HA PHE 25 -5.120 -6.176 3.617
175 1HB PHE 25 1HB PHE 25 -2.440 -5.898 5.132
176 2HB PHE 25 2HB PHE 25 -3.931 -5.091 5.522
177 HD1 PHE 25 HD2 PHE 25 -6.008 -6.497 6.233
178 HD2 PHE 25 HD1 PHE 25 -2.039 -8.151 6.042
179 HE1 PHE 25 HE2 PHE 25 -6.706 -8.373 7.667
180 HE2 PHE 25 HE1 PHE 25 -2.754 -10.016 7.469
181 HZ PHE 25 HZ PHE 25 -5.086 -10.135 8.284
182 H GLY 26 H GLY 26 -4.938 -3.877 3.791
183 1HA GLY 26 2HA GLY 26 -2.896 -2.483 1.967
184 2HA GLY 26 1HA GLY 26 -4.601 -2.212 1.661
185 H LYS 27 H LYS 27 -1.951 -1.672 3.859
186 HA LYS 27 HA LYS 27 -3.642 0.053 5.745
187 1HB LYS 27 1HB LYS 27 -2.203 -1.782 6.718
188 2HB LYS 27 2HB LYS 27 -0.761 -1.012 6.065
189 1HG LYS 27 2HG LYS 27 -1.374 1.082 7.457
190 2HG LYS 27 1HG LYS 27 -2.685 0.167 8.182
191 1HD LYS 27 1HD LYS 27 0.331 -0.545 8.356
192 2HD LYS 27 2HD LYS 27 -0.585 0.338 9.552
193 1HE LYS 27 1HE LYS 27 -0.496 -1.802 10.490
194 2HE LYS 27 2HE LYS 27 -2.129 -1.738 9.836
195 1HZ LYS 27 1HZ LYS 27 0.216 -3.062 8.540
196 2HZ LYS 27 2HZ LYS 27 -1.025 -3.828 9.315
197 3HZ LYS 27 3HZ LYS 27 -1.307 -3.020 7.902
198 H CYS 28 H CYS 28 -3.782 2.044 4.890
199 HA CYS 28 HA CYS 28 -1.583 3.107 3.134
200 1HB CYS 28 1HB CYS 28 -4.097 3.252 2.520
201 2HB CYS 28 2HB CYS 28 -4.171 4.633 3.627
202 H MET 29 H MET 29 -0.106 4.422 3.786
203 HA MET 29 HA MET 29 -0.285 6.069 6.345
204 1HB MET 29 1HB MET 29 2.034 5.772 4.326
205 2HB MET 29 2HB MET 29 2.094 6.684 5.826
206 1HG MET 29 1HG MET 29 1.745 3.639 5.655
207 2HG MET 29 2HG MET 29 3.201 4.512 6.146
208 1HE MET 29 1HE MET 29 2.773 2.600 8.249
209 2HE MET 29 3HE MET 29 1.403 2.761 9.388
210 3HE MET 29 2HE MET 29 1.106 2.233 7.707
211 H ASN 30 H ASN 30 1.116 8.384 5.456
212 HA ASN 30 HA ASN 30 -1.253 9.986 4.833
213 1HB ASN 30 1HB ASN 30 1.715 10.820 4.907
214 2HB ASN 30 2HB ASN 30 0.397 11.949 4.657
215 1HD2 ASN 30 1HD2 ASN 30 -0.550 11.990 8.132
216 2HD2 ASN 30 2HD2 ASN 30 -1.058 12.422 6.417
217 H ARG 31 H ARG 31 -2.164 9.666 3.004
218 HA ARG 31 HA ARG 31 -2.742 9.664 0.747
219 1HB ARG 31 1HB ARG 31 -0.303 11.495 0.351
220 2HB ARG 31 2HB ARG 31 -1.533 11.203 -0.864
221 1HG ARG 31 1HG ARG 31 -3.290 12.258 0.402
222 2HG ARG 31 2HG ARG 31 -2.335 12.355 1.866
223 1HD ARG 31 1HD ARG 31 -1.717 13.895 -0.731
224 2HD ARG 31 2HD ARG 31 -2.548 14.563 0.658
225 HE ARG 31 HE ARG 31 0.396 14.143 0.384
226 1HH1 ARG 31 2HH2 ARG 31 -2.179 14.543 2.807
227 2HH1 ARG 31 1HH2 ARG 31 -0.939 15.077 4.050
228 1HH2 ARG 31 1HH1 ARG 31 1.710 14.758 1.878
229 2HH2 ARG 31 2HH1 ARG 31 1.112 15.189 3.559
230 H LYS 32 H LYS 32 -0.483 7.596 1.663
231 HA LYS 32 HA LYS 32 -0.039 6.531 -1.167
232 1HB LYS 32 1HB LYS 32 2.255 7.107 0.827
233 2HB LYS 32 2HB LYS 32 2.424 5.999 -0.517
234 1HG LYS 32 2HG LYS 32 1.853 8.999 -0.762
235 2HG LYS 32 1HG LYS 32 3.390 8.207 -1.013
236 1HD LYS 32 1HD LYS 32 0.883 7.881 -2.778
237 2HD LYS 32 2HD LYS 32 2.312 8.829 -3.143
238 1HE LYS 32 1HE LYS 32 3.720 6.700 -3.183
239 2HE LYS 32 2HE LYS 32 2.264 5.745 -2.860
240 1HZ LYS 32 1HZ LYS 32 2.661 7.492 -5.238
241 2HZ LYS 32 2HZ LYS 32 2.740 5.841 -5.219
242 3HZ LYS 32 3HZ LYS 32 1.303 6.603 -4.928
243 H CYS 33 H CYS 33 -0.537 4.535 -1.246
244 HA CYS 33 HA CYS 33 -1.258 2.788 0.901
245 1HB CYS 33 1HB CYS 33 -0.435 2.128 -2.011
246 2HB CYS 33 2HB CYS 33 -1.153 0.944 -0.904
247 H HIS 34 H HIS 34 -0.330 1.146 2.057
248 HA HIS 34 HA HIS 34 2.369 -0.004 1.211
249 1HB HIS 34 1HB HIS 34 1.755 1.027 4.058
250 2HB HIS 34 2HB HIS 34 3.016 -0.138 3.711
251 HD1 HIS 34 HD1 HIS 34 5.140 0.684 2.078
252 HD2 HIS 34 HD2 HIS 34 2.250 3.623 3.248
253 HE1 HIS 34 HE1 HIS 34 5.970 3.038 1.491
254 HE2 HIS 34 HE2 HIS 34 4.322 4.890 2.187
255 H CYS 35 H CYS 35 1.623 -1.896 0.623
256 HA CYS 35 HA CYS 35 -0.567 -3.312 2.182
257 1HB CYS 35 1HB CYS 35 0.502 -3.673 -0.693
258 2HB CYS 35 2HB CYS 35 -0.779 -4.655 0.035
259 H THR 36 H THR 36 -0.506 -5.460 2.716
260 HA THR 36 HA THR 36 2.251 -6.562 3.437
261 HB THR 36 HB THR 36 -0.532 -7.300 4.499
262 HG1 THR 36 HG1 THR 36 0.233 -6.211 6.318
263 1HG2 THR 36 3HG2 THR 36 2.252 -8.146 5.547
264 2HG2 THR 36 1HG2 THR 36 0.688 -8.463 6.343
265 3HG2 THR 36 2HG2 THR 36 1.057 -9.226 4.783
266 HA PRO 37 HA PRO 37 1.217 -9.107 -0.293
267 1HB PRO 37 1HB PRO 37 3.885 -10.493 0.345
268 2HB PRO 37 2HB PRO 37 3.283 -9.896 -1.215
269 1HG PRO 37 1HG PRO 37 5.104 -8.434 0.161
270 2HG PRO 37 2HG PRO 37 3.718 -7.610 -0.595
271 1HD PRO 37 1HD PRO 37 4.032 -8.417 2.357
272 2HD PRO 37 2HD PRO 37 3.499 -6.865 1.659
273 H LYS 38 H LYS 38 0.724 -11.175 -0.986
274 HA LYS 38 HA LYS 38 0.049 -13.203 1.213
275 1HB LYS 38 1HB LYS 38 -1.837 -12.113 -0.098
276 2HB LYS 38 2HB LYS 38 -1.233 -12.842 -1.574
277 1HG LYS 38 1HG LYS 38 -1.699 -15.125 -0.674
278 2HG LYS 38 2HG LYS 38 -2.029 -14.467 0.921
279 1HD LYS 38 1HD LYS 38 -4.125 -15.011 -0.027
280 2HD LYS 38 2HD LYS 38 -4.073 -13.268 0.067
281 1HE LYS 38 1HE LYS 38 -3.466 -14.845 -2.543
282 2HE LYS 38 2HE LYS 38 -5.098 -14.393 -2.058
283 1HZ LYS 38 2HZ LYS 38 -4.446 -12.055 -2.109
284 2HZ LYS 38 3HZ LYS 38 -2.910 -12.449 -2.571
285 3HZ LYS 38 1HZ LYS 38 -4.182 -12.775 -3.573
No H/Q in entry = 285
Start of MODEL 16
Raw file had 289 H/Q atoms
Start of MODEL 16
1 1H GLY 1 3H GLY 1 4.099 -4.284 4.786
2 2H GLY 1 1H GLY 1 5.741 -4.347 4.607
3 3H GLY 1 2H GLY 1 5.084 -3.625 5.939
4 1HA GLY 1 1HA GLY 1 4.114 -1.849 4.616
5 2HA GLY 1 2HA GLY 1 5.866 -1.901 4.438
6 H VAL 2 H VAL 2 6.663 -2.214 2.427
7 HA VAL 2 HA VAL 2 6.878 -2.465 0.132
8 HB VAL 2 HB VAL 2 4.550 -4.442 0.256
9 1HG1 VAL 2 1HG2 VAL 2 6.665 -4.040 -1.964
10 2HG1 VAL 2 2HG2 VAL 2 5.477 -5.366 -1.884
11 3HG1 VAL 2 3HG2 VAL 2 4.925 -3.702 -2.107
12 1HG2 VAL 2 1HG1 VAL 2 7.610 -4.899 0.407
13 2HG2 VAL 2 2HG1 VAL 2 6.425 -5.215 1.700
14 3HG2 VAL 2 3HG1 VAL 2 6.400 -6.187 0.221
15 HA PRO 3 HA PRO 3 3.668 0.807 -0.631
16 1HB PRO 3 1HB PRO 3 5.238 2.696 -1.936
17 2HB PRO 3 2HB PRO 3 5.212 2.438 -0.194
18 1HG PRO 3 2HG PRO 3 7.230 1.344 -2.204
19 2HG PRO 3 1HG PRO 3 7.558 2.130 -0.641
20 1HD PRO 3 1HD PRO 3 7.549 -0.622 -0.946
21 2HD PRO 3 2HD PRO 3 7.015 0.138 0.585
22 H ILE 4 H ILE 4 2.224 0.787 -2.169
23 HA ILE 4 HA ILE 4 2.993 0.402 -5.115
24 HB ILE 4 HB ILE 4 0.792 -0.365 -5.678
25 1HG1 ILE 4 2HG1 ILE 4 -0.012 -0.641 -2.720
26 2HG1 ILE 4 1HG1 ILE 4 -0.513 0.688 -3.748
27 1HG2 ILE 4 2HG2 ILE 4 2.588 -2.035 -5.174
28 2HG2 ILE 4 3HG2 ILE 4 1.985 -2.198 -3.507
29 3HG2 ILE 4 1HG2 ILE 4 0.972 -2.698 -4.882
30 1HD1 ILE 4 2HD1 ILE 4 -1.669 -0.861 -5.344
31 2HD1 ILE 4 3HD1 ILE 4 -1.268 -2.238 -4.285
32 3HD1 ILE 4 1HD1 ILE 4 -2.323 -0.936 -3.693
33 H ASN 5 H ASN 5 2.261 1.911 -6.532
34 HA ASN 5 HA ASN 5 1.711 4.612 -5.385
35 1HB ASN 5 1HB ASN 5 2.089 5.541 -7.561
36 2HB ASN 5 2HB ASN 5 3.371 4.460 -7.087
37 1HD2 ASN 5 1HD2 ASN 5 1.708 3.761 -10.668
38 2HD2 ASN 5 2HD2 ASN 5 1.335 5.253 -9.657
39 H VAL 6 H VAL 6 -0.276 4.498 -4.513
40 HA VAL 6 HA VAL 6 -2.670 4.785 -6.365
41 HB VAL 6 HB VAL 6 -2.624 2.790 -4.004
42 1HG1 VAL 6 3HG2 VAL 6 -4.829 3.980 -4.035
43 2HG1 VAL 6 1HG2 VAL 6 -5.037 3.595 -5.763
44 3HG1 VAL 6 2HG2 VAL 6 -5.013 2.298 -4.540
45 1HG2 VAL 6 1HG1 VAL 6 -3.085 2.271 -7.017
46 2HG2 VAL 6 2HG1 VAL 6 -1.685 1.735 -6.055
47 3HG2 VAL 6 3HG1 VAL 6 -3.283 1.062 -5.721
48 H SER 7 H SER 7 -3.509 6.654 -5.808
49 HA SER 7 HA SER 7 -2.614 8.140 -3.430
50 1HB SER 7 1HB SER 7 -3.930 10.045 -4.274
51 2HB SER 7 2HB SER 7 -2.896 9.334 -5.510
52 HG SER 7 HG SER 7 -4.982 9.777 -6.263
53 H CYS 8 H CYS 8 -3.414 7.978 -1.493
54 HA CYS 8 HA CYS 8 -6.093 6.720 -0.956
55 1HB CYS 8 1HB CYS 8 -3.926 7.652 1.047
56 2HB CYS 8 2HB CYS 8 -5.353 6.664 1.423
57 H THR 9 H THR 9 -7.620 7.423 0.370
58 HA THR 9 HA THR 9 -7.538 10.131 1.718
59 HB THR 9 HB THR 9 -8.727 10.725 -0.276
60 HG1 THR 9 HG1 THR 9 -10.588 11.451 0.738
61 1HG2 THR 9 2HG2 THR 9 -9.765 8.607 -1.098
62 2HG2 THR 9 3HG2 THR 9 -10.887 8.594 0.289
63 3HG2 THR 9 1HG2 THR 9 -10.969 9.898 -0.917
64 H GLY 10 H GLY 10 -6.793 8.432 3.172
65 1HA GLY 10 1HA GLY 10 -7.523 7.530 5.416
66 2HA GLY 10 2HA GLY 10 -9.050 7.020 4.720
67 H SER 11 H SER 11 -7.397 5.369 6.159
68 HA SER 11 HA SER 11 -5.792 3.501 4.541
69 1HB SER 11 1HB SER 11 -7.076 3.077 7.298
70 2HB SER 11 2HB SER 11 -6.002 1.926 6.498
71 HG SER 11 HG SER 11 -4.901 3.325 7.870
72 HA PRO 12 HA PRO 12 -9.843 0.614 4.162
73 1HB PRO 12 1HB PRO 12 -11.820 2.931 3.793
74 2HB PRO 12 2HB PRO 12 -12.131 1.273 4.358
75 1HG PRO 12 1HG PRO 12 -11.927 3.262 6.184
76 2HG PRO 12 2HG PRO 12 -11.095 1.721 6.512
77 1HD PRO 12 1HD PRO 12 -9.884 4.323 5.433
78 2HD PRO 12 2HD PRO 12 -9.250 3.226 6.697
79 H GLN 13 H GLN 13 -9.146 3.545 2.350
80 HA GLN 13 HA GLN 13 -10.218 2.787 -0.269
81 1HB GLN 13 1HB GLN 13 -7.836 4.613 0.484
82 2HB GLN 13 2HB GLN 13 -8.440 4.453 -1.148
83 1HG GLN 13 1HG GLN 13 -10.054 5.551 1.226
84 2HG GLN 13 2HG GLN 13 -9.274 6.490 -0.018
85 1HE2 GLN 13 1HE2 GLN 13 -11.921 5.868 -2.432
86 2HE2 GLN 13 2HE2 GLN 13 -10.150 6.337 -2.253
87 H CYS 14 H CYS 14 -7.043 2.000 1.194
88 HA CYS 14 HA CYS 14 -5.944 0.742 -1.264
89 1HB CYS 14 1HB CYS 14 -5.046 0.525 1.679
90 2HB CYS 14 2HB CYS 14 -4.091 0.035 0.267
91 H ILE 15 H ILE 15 -8.236 -0.597 0.997
92 HA ILE 15 HA ILE 15 -7.355 -3.326 1.168
93 HB ILE 15 HB ILE 15 -10.225 -2.244 1.193
94 1HG1 ILE 15 2HG1 ILE 15 -8.865 -1.103 2.909
95 2HG1 ILE 15 1HG1 ILE 15 -10.153 -2.052 3.578
96 1HG2 ILE 15 3HG2 ILE 15 -9.248 -4.954 2.279
97 2HG2 ILE 15 1HG2 ILE 15 -10.857 -4.248 2.573
98 3HG2 ILE 15 2HG2 ILE 15 -10.372 -4.683 0.929
99 1HD1 ILE 15 3HD1 ILE 15 -7.172 -2.877 3.555
100 2HD1 ILE 15 1HD1 ILE 15 -8.062 -2.215 4.942
101 3HD1 ILE 15 2HD1 ILE 15 -8.480 -3.825 4.310
102 H LYS 16 H LYS 16 -9.759 -2.063 -1.288
103 HA LYS 16 HA LYS 16 -9.784 -4.566 -2.804
104 1HB LYS 16 1HB LYS 16 -10.760 -1.726 -3.434
105 2HB LYS 16 2HB LYS 16 -10.799 -2.972 -4.640
106 1HG LYS 16 1HG LYS 16 -12.252 -3.023 -1.941
107 2HG LYS 16 2HG LYS 16 -12.971 -2.678 -3.497
108 1HD LYS 16 1HD LYS 16 -11.879 -5.415 -2.567
109 2HD LYS 16 2HD LYS 16 -13.545 -4.915 -2.673
110 1HE LYS 16 1HE LYS 16 -13.310 -6.255 -4.576
111 2HE LYS 16 2HE LYS 16 -13.248 -4.627 -5.243
112 1HZ LYS 16 1HZ LYS 16 -10.888 -6.371 -4.685
113 2HZ LYS 16 2HZ LYS 16 -11.530 -6.055 -6.174
114 3HZ LYS 16 3HZ LYS 16 -10.799 -4.847 -5.315
115 HA PRO 17 HA PRO 17 -6.411 -2.542 -5.878
116 1HB PRO 17 1HB PRO 17 -5.038 -0.854 -3.706
117 2HB PRO 17 2HB PRO 17 -5.025 -0.628 -5.469
118 1HG PRO 17 1HG PRO 17 -6.704 0.866 -3.934
119 2HG PRO 17 2HG PRO 17 -7.301 0.191 -5.470
120 1HD PRO 17 2HD PRO 17 -7.817 -0.813 -2.636
121 2HD PRO 17 1HD PRO 17 -8.928 -0.716 -4.031
122 H CYS 18 H CYS 18 -5.578 -3.129 -2.432
123 HA CYS 18 HA CYS 18 -3.117 -4.669 -2.904
124 1HB CYS 18 1HB CYS 18 -5.045 -4.697 -0.491
125 2HB CYS 18 2HB CYS 18 -3.459 -5.481 -0.536
126 H LYS 19 H LYS 19 -6.463 -5.851 -2.193
127 HA LYS 19 HA LYS 19 -5.889 -8.680 -2.609
128 1HB LYS 19 2HB LYS 19 -7.869 -7.656 -1.370
129 2HB LYS 19 1HB LYS 19 -8.576 -7.195 -2.910
130 1HG LYS 19 1HG LYS 19 -8.719 -9.652 -3.559
131 2HG LYS 19 2HG LYS 19 -7.912 -10.088 -2.061
132 1HD LYS 19 1HD LYS 19 -10.259 -10.497 -1.724
133 2HD LYS 19 2HD LYS 19 -9.812 -9.138 -0.720
134 1HE LYS 19 1HE LYS 19 -11.979 -8.645 -1.673
135 2HE LYS 19 2HE LYS 19 -10.840 -7.540 -2.433
136 1HZ LYS 19 1HZ LYS 19 -11.878 -10.059 -3.655
137 2HZ LYS 19 2HZ LYS 19 -12.344 -8.524 -4.050
138 3HZ LYS 19 3HZ LYS 19 -10.808 -9.032 -4.383
139 H ASP 20 H ASP 20 -7.259 -6.311 -4.918
140 HA ASP 20 HA ASP 20 -7.498 -8.055 -7.222
141 1HB ASP 20 1HB ASP 20 -8.514 -5.727 -6.914
142 2HB ASP 20 2HB ASP 20 -6.935 -5.014 -7.187
143 H ALA 21 H ALA 21 -4.616 -6.167 -6.179
144 HA ALA 21 HA ALA 21 -2.897 -6.950 -8.470
145 1HB ALA 21 2HB ALA 21 -2.369 -4.949 -7.072
146 2HB ALA 21 3HB ALA 21 -2.111 -5.973 -5.639
147 3HB ALA 21 1HB ALA 21 -1.019 -6.099 -7.036
148 H GLY 22 H GLY 22 -3.192 -8.235 -5.138
149 1HA GLY 22 1HA GLY 22 -3.155 -10.871 -5.121
150 2HA GLY 22 2HA GLY 22 -1.590 -10.752 -5.913
151 H MET 23 H MET 23 -3.154 -9.136 -3.134
152 HA MET 23 HA MET 23 -1.012 -10.076 -1.200
153 1HB MET 23 1HB MET 23 -1.561 -7.063 -1.701
154 2HB MET 23 2HB MET 23 -0.577 -7.719 -0.406
155 1HG MET 23 1HG MET 23 0.945 -8.797 -2.245
156 2HG MET 23 2HG MET 23 0.089 -7.741 -3.384
157 1HE MET 23 3HE MET 23 1.818 -6.043 -4.163
158 2HE MET 23 2HE MET 23 3.160 -5.450 -3.142
159 3HE MET 23 1HE MET 23 3.021 -7.198 -3.504
160 H ARG 24 H ARG 24 -1.549 -9.074 1.045
161 HA ARG 24 HA ARG 24 -4.341 -10.153 1.587
162 1HB ARG 24 1HB ARG 24 -2.006 -9.676 3.522
163 2HB ARG 24 2HB ARG 24 -3.599 -10.232 4.008
164 1HG ARG 24 1HG ARG 24 -3.369 -12.287 2.603
165 2HG ARG 24 2HG ARG 24 -1.776 -11.771 2.075
166 1HD ARG 24 2HD ARG 24 -2.570 -12.330 5.011
167 2HD ARG 24 1HD ARG 24 -1.757 -13.487 3.951
168 HE ARG 24 HE ARG 24 -0.011 -11.263 3.856
169 1HH1 ARG 24 2HH2 ARG 24 -1.336 -13.199 6.528
170 2HH1 ARG 24 1HH2 ARG 24 0.153 -12.842 7.540
171 1HH2 ARG 24 1HH1 ARG 24 1.630 -10.923 5.092
172 2HH2 ARG 24 2HH1 ARG 24 1.718 -11.639 6.780
173 H PHE 25 H PHE 25 -2.500 -7.593 3.310
174 HA PHE 25 HA PHE 25 -5.143 -6.215 3.874
175 1HB PHE 25 1HB PHE 25 -2.414 -5.766 5.241
176 2HB PHE 25 2HB PHE 25 -3.947 -5.114 5.743
177 HD1 PHE 25 HD2 PHE 25 -5.807 -6.676 6.607
178 HD2 PHE 25 HD1 PHE 25 -1.790 -8.067 5.934
179 HE1 PHE 25 HE2 PHE 25 -6.247 -8.663 7.991
180 HE2 PHE 25 HE1 PHE 25 -2.249 -10.044 7.311
181 HZ PHE 25 HZ PHE 25 -4.475 -10.351 8.343
182 H GLY 26 H GLY 26 -5.172 -3.956 4.050
183 1HA GLY 26 1HA GLY 26 -3.457 -2.369 2.020
184 2HA GLY 26 2HA GLY 26 -5.202 -2.213 2.035
185 H LYS 27 H LYS 27 -2.267 -1.621 3.775
186 HA LYS 27 HA LYS 27 -3.666 0.238 5.784
187 1HB LYS 27 1HB LYS 27 -1.717 0.035 7.229
188 2HB LYS 27 2HB LYS 27 -2.449 -1.524 6.925
189 1HG LYS 27 2HG LYS 27 -0.573 -2.017 5.224
190 2HG LYS 27 1HG LYS 27 0.181 -0.491 5.682
191 1HD LYS 27 1HD LYS 27 0.335 -1.322 8.086
192 2HD LYS 27 2HD LYS 27 -0.360 -2.864 7.568
193 1HE LYS 27 1HE LYS 27 1.601 -3.166 5.936
194 2HE LYS 27 2HE LYS 27 2.294 -1.649 6.520
195 1HZ LYS 27 1HZ LYS 27 2.430 -2.636 8.748
196 2HZ LYS 27 2HZ LYS 27 1.778 -4.053 8.204
197 3HZ LYS 27 3HZ LYS 27 3.252 -3.556 7.649
198 H CYS 28 H CYS 28 -3.570 2.305 5.174
199 HA CYS 28 HA CYS 28 -1.534 3.104 3.066
200 1HB CYS 28 1HB CYS 28 -4.040 3.436 2.661
201 2HB CYS 28 2HB CYS 28 -3.967 4.802 3.788
202 H MET 29 H MET 29 0.027 4.415 3.403
203 HA MET 29 HA MET 29 0.320 6.128 5.914
204 1HB MET 29 1HB MET 29 2.263 5.518 3.584
205 2HB MET 29 2HB MET 29 2.623 6.634 4.885
206 1HG MET 29 1HG MET 29 2.113 3.634 5.288
207 2HG MET 29 2HG MET 29 3.677 4.448 5.339
208 1HE MET 29 2HE MET 29 4.646 5.718 7.376
209 2HE MET 29 1HE MET 29 3.503 7.067 7.082
210 3HE MET 29 3HE MET 29 3.671 6.378 8.723
211 H ASN 30 H ASN 30 1.637 8.344 4.831
212 HA ASN 30 HA ASN 30 -0.710 10.029 4.387
213 1HB ASN 30 1HB ASN 30 2.283 10.735 4.164
214 2HB ASN 30 2HB ASN 30 0.991 11.913 4.029
215 1HD2 ASN 30 1HD2 ASN 30 0.397 12.018 7.584
216 2HD2 ASN 30 2HD2 ASN 30 -0.274 12.444 5.924
217 H ARG 31 H ARG 31 -1.796 9.773 2.653
218 HA ARG 31 HA ARG 31 -2.572 9.737 0.456
219 1HB ARG 31 1HB ARG 31 -0.043 11.363 -0.246
220 2HB ARG 31 2HB ARG 31 -1.377 11.086 -1.341
221 1HG ARG 31 1HG ARG 31 -1.553 12.663 1.278
222 2HG ARG 31 2HG ARG 31 -1.467 13.325 -0.338
223 1HD ARG 31 1HD ARG 31 -3.804 11.695 0.828
224 2HD ARG 31 2HD ARG 31 -3.785 13.422 0.581
225 HE ARG 31 HE ARG 31 -4.209 11.302 -1.518
226 1HH1 ARG 31 2HH2 ARG 31 -3.532 14.757 -1.016
227 2HH1 ARG 31 1HH2 ARG 31 -4.152 15.132 -2.703
228 1HH2 ARG 31 1HH1 ARG 31 -4.888 11.843 -3.408
229 2HH2 ARG 31 2HH1 ARG 31 -4.866 13.591 -3.964
230 H LYS 32 H LYS 32 -0.340 7.558 1.242
231 HA LYS 32 HA LYS 32 -0.187 6.416 -1.607
232 1HB LYS 32 1HB LYS 32 2.260 6.777 0.253
233 2HB LYS 32 2HB LYS 32 2.235 5.756 -1.185
234 1HG LYS 32 1HG LYS 32 1.698 7.753 -2.628
235 2HG LYS 32 2HG LYS 32 1.773 8.795 -1.207
236 1HD LYS 32 1HD LYS 32 4.197 8.089 -0.830
237 2HD LYS 32 2HD LYS 32 4.099 7.072 -2.260
238 1HE LYS 32 1HE LYS 32 5.209 9.084 -2.951
239 2HE LYS 32 2HE LYS 32 3.610 9.136 -3.689
240 1HZ LYS 32 3HZ LYS 32 4.423 10.599 -1.215
241 2HZ LYS 32 1HZ LYS 32 4.218 11.264 -2.713
242 3HZ LYS 32 2HZ LYS 32 2.918 10.661 -1.892
243 H CYS 33 H CYS 33 -0.905 4.457 -1.588
244 HA CYS 33 HA CYS 33 -1.528 2.827 0.717
245 1HB CYS 33 1HB CYS 33 -1.248 2.122 -2.271
246 2HB CYS 33 2HB CYS 33 -1.806 0.945 -1.074
247 H HIS 34 H HIS 34 -0.619 1.118 1.708
248 HA HIS 34 HA HIS 34 1.979 -0.122 0.647
249 1HB HIS 34 1HB HIS 34 1.400 0.593 3.591
250 2HB HIS 34 2HB HIS 34 2.520 -0.659 3.128
251 HD1 HIS 34 HD1 HIS 34 5.003 0.093 2.824
252 HD2 HIS 34 HD2 HIS 34 2.074 3.210 2.447
253 HE1 HIS 34 HE1 HIS 34 6.153 2.389 2.643
254 HE2 HIS 34 HE2 HIS 34 4.479 4.334 2.412
255 H CYS 35 H CYS 35 1.309 -1.956 -0.108
256 HA CYS 35 HA CYS 35 -0.971 -3.523 1.120
257 1HB CYS 35 1HB CYS 35 0.606 -3.933 -1.496
258 2HB CYS 35 2HB CYS 35 -0.687 -5.004 -0.908
259 H THR 36 H THR 36 -0.650 -5.282 2.358
260 HA THR 36 HA THR 36 2.138 -6.046 3.193
261 HB THR 36 HB THR 36 -0.570 -7.014 4.255
262 HG1 THR 36 HG1 THR 36 1.265 -5.073 5.198
263 1HG2 THR 36 3HG2 THR 36 2.246 -7.255 5.513
264 2HG2 THR 36 1HG2 THR 36 0.709 -7.677 6.308
265 3HG2 THR 36 2HG2 THR 36 1.263 -8.611 4.904
266 HA PRO 37 HA PRO 37 1.827 -9.205 -0.159
267 1HB PRO 37 1HB PRO 37 4.366 -10.349 1.133
268 2HB PRO 37 2HB PRO 37 4.035 -10.018 -0.581
269 1HG PRO 37 1HG PRO 37 5.543 -8.287 0.849
270 2HG PRO 37 2HG PRO 37 4.319 -7.642 -0.275
271 1HD PRO 37 1HD PRO 37 4.111 -7.922 2.774
272 2HD PRO 37 2HD PRO 37 3.641 -6.562 1.719
273 H LYS 38 H LYS 38 1.175 -11.266 -0.531
274 HA LYS 38 HA LYS 38 0.210 -12.894 1.812
275 1HB LYS 38 1HB LYS 38 -1.112 -14.173 0.283
276 2HB LYS 38 2HB LYS 38 -1.352 -12.467 -0.015
277 1HG LYS 38 1HG LYS 38 0.194 -12.642 -2.058
278 2HG LYS 38 2HG LYS 38 0.302 -14.381 -1.774
279 1HD LYS 38 1HD LYS 38 -2.254 -14.540 -1.987
280 2HD LYS 38 2HD LYS 38 -2.298 -12.813 -2.307
281 1HE LYS 38 1HE LYS 38 -2.453 -13.872 -4.448
282 2HE LYS 38 2HE LYS 38 -0.837 -13.176 -4.386
283 1HZ LYS 38 1HZ LYS 38 -1.501 -16.044 -3.892
284 2HZ LYS 38 2HZ LYS 38 -0.805 -15.429 -5.258
285 3HZ LYS 38 3HZ LYS 38 0.022 -15.407 -3.828
No H/Q in entry = 285
Start of MODEL 17
Raw file had 289 H/Q atoms
Start of MODEL 17
1 1H GLY 1 1H GLY 1 4.242 -3.831 3.906
2 2H GLY 1 2H GLY 1 5.621 -4.606 3.433
3 3H GLY 1 3H GLY 1 5.602 -3.737 4.837
4 1HA GLY 1 1HA GLY 1 5.306 -1.647 3.652
5 2HA GLY 1 2HA GLY 1 6.791 -2.464 3.160
6 H VAL 2 H VAL 2 6.966 -3.092 1.064
7 HA VAL 2 HA VAL 2 6.660 -2.790 -1.258
8 HB VAL 2 HB VAL 2 5.056 -4.440 -2.238
9 1HG1 VAL 2 3HG2 VAL 2 7.427 -5.005 -1.737
10 2HG1 VAL 2 1HG2 VAL 2 6.980 -5.534 -0.097
11 3HG1 VAL 2 2HG2 VAL 2 6.370 -6.411 -1.521
12 1HG2 VAL 2 2HG1 VAL 2 3.284 -4.555 -0.409
13 2HG2 VAL 2 3HG1 VAL 2 3.943 -6.135 -0.849
14 3HG2 VAL 2 1HG1 VAL 2 4.465 -5.345 0.655
15 HA PRO 3 HA PRO 3 3.347 0.452 -1.295
16 1HB PRO 3 1HB PRO 3 4.737 2.517 -2.566
17 2HB PRO 3 2HB PRO 3 4.821 2.130 -0.849
18 1HG PRO 3 2HG PRO 3 6.765 1.286 -3.047
19 2HG PRO 3 1HG PRO 3 7.150 1.957 -1.444
20 1HD PRO 3 2HD PRO 3 7.253 -0.752 -1.957
21 2HD PRO 3 1HD PRO 3 6.736 -0.146 -0.355
22 H ILE 4 H ILE 4 1.765 0.413 -2.689
23 HA ILE 4 HA ILE 4 2.228 0.118 -5.701
24 HB ILE 4 HB ILE 4 -0.139 -0.400 -5.969
25 1HG1 ILE 4 2HG1 ILE 4 -0.452 -0.584 -2.911
26 2HG1 ILE 4 1HG1 ILE 4 -1.050 0.740 -3.898
27 1HG2 ILE 4 2HG2 ILE 4 1.560 -2.230 -5.760
28 2HG2 ILE 4 3HG2 ILE 4 1.207 -2.372 -4.021
29 3HG2 ILE 4 1HG2 ILE 4 -0.046 -2.753 -5.228
30 1HD1 ILE 4 2HD1 ILE 4 -2.568 -0.798 -5.172
31 2HD1 ILE 4 3HD1 ILE 4 -2.038 -2.161 -4.148
32 3HD1 ILE 4 1HD1 ILE 4 -2.894 -0.785 -3.422
33 H ASN 5 H ASN 5 1.296 1.582 -7.083
34 HA ASN 5 HA ASN 5 1.212 4.399 -6.046
35 1HB ASN 5 1HB ASN 5 1.270 5.155 -8.337
36 2HB ASN 5 2HB ASN 5 2.560 4.040 -7.959
37 1HD2 ASN 5 1HD2 ASN 5 1.592 1.725 -10.555
38 2HD2 ASN 5 2HD2 ASN 5 2.617 1.971 -9.048
39 H VAL 6 H VAL 6 -0.625 4.353 -4.817
40 HA VAL 6 HA VAL 6 -3.236 4.916 -6.269
41 HB VAL 6 HB VAL 6 -2.984 2.818 -4.018
42 1HG1 VAL 6 3HG2 VAL 6 -5.029 4.217 -3.577
43 2HG1 VAL 6 1HG2 VAL 6 -5.596 3.944 -5.242
44 3HG1 VAL 6 2HG2 VAL 6 -5.478 2.588 -4.089
45 1HG2 VAL 6 1HG1 VAL 6 -4.054 2.525 -6.902
46 2HG2 VAL 6 2HG1 VAL 6 -2.560 1.807 -6.246
47 3HG2 VAL 6 3HG1 VAL 6 -4.127 1.268 -5.638
48 H SER 7 H SER 7 -3.659 6.883 -5.613
49 HA SER 7 HA SER 7 -2.400 8.087 -3.198
50 1HB SER 7 1HB SER 7 -3.336 10.239 -3.946
51 2HB SER 7 2HB SER 7 -2.461 9.409 -5.230
52 HG SER 7 HG SER 7 -5.278 9.426 -4.866
53 H CYS 8 H CYS 8 -3.241 8.101 -1.265
54 HA CYS 8 HA CYS 8 -6.108 7.251 -0.805
55 1HB CYS 8 1HB CYS 8 -3.801 7.576 1.236
56 2HB CYS 8 2HB CYS 8 -5.362 6.821 1.544
57 H THR 9 H THR 9 -7.418 8.030 0.684
58 HA THR 9 HA THR 9 -7.067 10.845 1.831
59 HB THR 9 HB THR 9 -9.024 10.760 0.367
60 HG1 THR 9 HG1 THR 9 -9.612 10.947 3.123
61 1HG2 THR 9 2HG2 THR 9 -9.899 8.425 0.617
62 2HG2 THR 9 3HG2 THR 9 -10.334 8.751 2.315
63 3HG2 THR 9 1HG2 THR 9 -11.142 9.632 0.998
64 H GLY 10 H GLY 10 -7.934 7.457 2.546
65 1HA GLY 10 2HA GLY 10 -6.663 7.684 5.246
66 2HA GLY 10 1HA GLY 10 -8.371 7.219 5.314
67 H SER 11 H SER 11 -7.443 5.269 6.262
68 HA SER 11 HA SER 11 -5.820 3.327 4.747
69 1HB SER 11 1HB SER 11 -7.558 2.877 7.242
70 2HB SER 11 2HB SER 11 -6.495 1.668 6.521
71 HG SER 11 HG SER 11 -5.712 4.241 7.412
72 HA PRO 12 HA PRO 12 -10.045 0.903 3.701
73 1HB PRO 12 1HB PRO 12 -11.731 3.398 3.115
74 2HB PRO 12 2HB PRO 12 -12.269 1.775 3.601
75 1HG PRO 12 2HG PRO 12 -12.120 3.721 5.477
76 2HG PRO 12 1HG PRO 12 -11.491 2.103 5.878
77 1HD PRO 12 2HD PRO 12 -9.902 4.585 5.034
78 2HD PRO 12 1HD PRO 12 -9.551 3.411 6.335
79 H GLN 13 H GLN 13 -8.910 3.782 1.985
80 HA GLN 13 HA GLN 13 -9.828 3.167 -0.705
81 1HB GLN 13 1HB GLN 13 -7.262 4.653 0.176
82 2HB GLN 13 2HB GLN 13 -7.865 4.614 -1.472
83 1HG GLN 13 1HG GLN 13 -9.367 5.854 0.907
84 2HG GLN 13 2HG GLN 13 -8.395 6.722 -0.255
85 1HE2 GLN 13 1HE2 GLN 13 -11.010 6.715 -2.752
86 2HE2 GLN 13 2HE2 GLN 13 -9.221 7.002 -2.430
87 H CYS 14 H CYS 14 -6.780 2.121 0.868
88 HA CYS 14 HA CYS 14 -5.724 0.766 -1.549
89 1HB CYS 14 1HB CYS 14 -4.864 0.475 1.398
90 2HB CYS 14 2HB CYS 14 -3.897 0.052 -0.032
91 H ILE 15 H ILE 15 -8.007 -0.427 0.833
92 HA ILE 15 HA ILE 15 -7.200 -3.129 1.173
93 HB ILE 15 HB ILE 15 -10.053 -2.000 1.103
94 1HG1 ILE 15 2HG1 ILE 15 -8.631 -0.803 2.755
95 2HG1 ILE 15 1HG1 ILE 15 -9.989 -1.627 3.452
96 1HG2 ILE 15 3HG2 ILE 15 -9.168 -4.664 2.363
97 2HG2 ILE 15 1HG2 ILE 15 -10.753 -3.887 2.610
98 3HG2 ILE 15 2HG2 ILE 15 -10.284 -4.441 0.998
99 1HD1 ILE 15 3HD1 ILE 15 -7.090 -2.698 3.553
100 2HD1 ILE 15 1HD1 ILE 15 -7.907 -1.809 4.858
101 3HD1 ILE 15 2HD1 ILE 15 -8.488 -3.422 4.382
102 H LYS 16 H LYS 16 -9.653 -2.147 -1.328
103 HA LYS 16 HA LYS 16 -9.571 -4.802 -2.598
104 1HB LYS 16 1HB LYS 16 -11.588 -3.453 -2.702
105 2HB LYS 16 2HB LYS 16 -10.807 -2.188 -3.607
106 1HG LYS 16 1HG LYS 16 -12.234 -3.552 -5.060
107 2HG LYS 16 2HG LYS 16 -10.567 -3.622 -5.586
108 1HD LYS 16 1HD LYS 16 -11.557 -5.812 -5.839
109 2HD LYS 16 2HD LYS 16 -10.292 -5.912 -4.627
110 1HE LYS 16 1HE LYS 16 -12.068 -5.848 -2.785
111 2HE LYS 16 2HE LYS 16 -13.331 -5.747 -4.020
112 1HZ LYS 16 1HZ LYS 16 -11.397 -7.997 -3.721
113 2HZ LYS 16 2HZ LYS 16 -12.988 -8.022 -3.277
114 3HZ LYS 16 3HZ LYS 16 -12.577 -7.909 -4.873
115 HA PRO 17 HA PRO 17 -6.539 -2.810 -6.055
116 1HB PRO 17 1HB PRO 17 -5.191 -0.851 -4.114
117 2HB PRO 17 2HB PRO 17 -5.276 -0.785 -5.890
118 1HG PRO 17 2HG PRO 17 -6.987 0.721 -4.417
119 2HG PRO 17 1HG PRO 17 -7.616 -0.153 -5.834
120 1HD PRO 17 1HD PRO 17 -7.876 -0.911 -2.885
121 2HD PRO 17 2HD PRO 17 -9.081 -1.024 -4.199
122 H CYS 18 H CYS 18 -5.364 -2.949 -2.657
123 HA CYS 18 HA CYS 18 -2.928 -4.517 -3.148
124 1HB CYS 18 1HB CYS 18 -4.701 -4.193 -0.639
125 2HB CYS 18 2HB CYS 18 -3.209 -5.130 -0.649
126 H LYS 19 H LYS 19 -6.244 -5.612 -2.217
127 HA LYS 19 HA LYS 19 -5.618 -8.441 -2.139
128 1HB LYS 19 2HB LYS 19 -7.683 -7.174 -1.142
129 2HB LYS 19 1HB LYS 19 -8.386 -7.234 -2.739
130 1HG LYS 19 1HG LYS 19 -9.344 -9.040 -1.539
131 2HG LYS 19 2HG LYS 19 -8.202 -9.819 -2.625
132 1HD LYS 19 1HD LYS 19 -6.520 -9.953 -0.702
133 2HD LYS 19 2HD LYS 19 -7.690 -9.166 0.359
134 1HE LYS 19 1HE LYS 19 -9.292 -11.109 0.029
135 2HE LYS 19 2HE LYS 19 -8.123 -11.889 -1.050
136 1HZ LYS 19 2HZ LYS 19 -6.540 -11.956 0.811
137 2HZ LYS 19 3HZ LYS 19 -7.631 -11.230 1.817
138 3HZ LYS 19 1HZ LYS 19 -7.943 -12.733 1.208
139 H ASP 20 H ASP 20 -7.110 -6.592 -4.855
140 HA ASP 20 HA ASP 20 -7.068 -8.891 -6.707
141 1HB ASP 20 1HB ASP 20 -7.700 -7.342 -8.486
142 2HB ASP 20 2HB ASP 20 -8.706 -7.178 -7.076
143 H ALA 21 H ALA 21 -4.557 -6.447 -6.060
144 HA ALA 21 HA ALA 21 -2.872 -7.133 -8.390
145 1HB ALA 21 2HB ALA 21 -2.559 -4.996 -7.165
146 2HB ALA 21 3HB ALA 21 -2.077 -5.864 -5.686
147 3HB ALA 21 1HB ALA 21 -1.055 -5.936 -7.142
148 H GLY 22 H GLY 22 -2.631 -8.181 -4.961
149 1HA GLY 22 1HA GLY 22 -2.306 -10.889 -5.153
150 2HA GLY 22 2HA GLY 22 -0.691 -10.422 -5.681
151 H MET 23 H MET 23 -2.752 -9.063 -3.092
152 HA MET 23 HA MET 23 -0.849 -10.061 -0.924
153 1HB MET 23 1HB MET 23 -1.656 -7.088 -1.344
154 2HB MET 23 2HB MET 23 -0.875 -7.716 0.090
155 1HG MET 23 1HG MET 23 0.972 -6.885 -0.979
156 2HG MET 23 2HG MET 23 1.061 -8.561 -1.520
157 1HE MET 23 3HE MET 23 2.645 -7.786 -3.482
158 2HE MET 23 2HE MET 23 2.234 -6.519 -4.678
159 3HE MET 23 1HE MET 23 2.524 -6.074 -2.968
160 H ARG 24 H ARG 24 -1.791 -9.153 1.267
161 HA ARG 24 HA ARG 24 -4.593 -10.319 1.486
162 1HB ARG 24 1HB ARG 24 -2.733 -11.394 2.690
163 2HB ARG 24 2HB ARG 24 -2.344 -9.913 3.548
164 1HG ARG 24 2HG ARG 24 -4.512 -9.997 4.766
165 2HG ARG 24 1HG ARG 24 -5.051 -11.333 3.761
166 1HD ARG 24 1HD ARG 24 -4.329 -12.166 5.981
167 2HD ARG 24 2HD ARG 24 -3.351 -12.854 4.690
168 HE ARG 24 HE ARG 24 -2.234 -10.390 6.097
169 1HH1 ARG 24 2HH2 ARG 24 -2.059 -13.926 5.759
170 2HH1 ARG 24 1HH2 ARG 24 -0.388 -13.923 6.518
171 1HH2 ARG 24 1HH1 ARG 24 -0.346 -10.506 6.948
172 2HH2 ARG 24 2HH1 ARG 24 0.514 -12.115 7.146
173 H PHE 25 H PHE 25 -2.915 -7.766 3.424
174 HA PHE 25 HA PHE 25 -5.535 -6.209 3.479
175 1HB PHE 25 1HB PHE 25 -3.059 -5.687 5.232
176 2HB PHE 25 2HB PHE 25 -4.646 -5.011 5.415
177 HD1 PHE 25 HD2 PHE 25 -6.666 -6.784 5.779
178 HD2 PHE 25 HD1 PHE 25 -2.517 -7.566 6.627
179 HE1 PHE 25 HE2 PHE 25 -7.309 -8.566 7.349
180 HE2 PHE 25 HE1 PHE 25 -3.182 -9.329 8.201
181 HZ PHE 25 HZ PHE 25 -5.572 -9.841 8.562
182 H GLY 26 H GLY 26 -5.422 -3.930 3.459
183 1HA GLY 26 2HA GLY 26 -3.227 -2.631 1.708
184 2HA GLY 26 1HA GLY 26 -4.925 -2.265 1.474
185 H LYS 27 H LYS 27 -2.155 -1.734 3.439
186 HA LYS 27 HA LYS 27 -3.708 -0.079 5.516
187 1HB LYS 27 1HB LYS 27 -0.867 -1.274 5.683
188 2HB LYS 27 2HB LYS 27 -1.635 -0.281 6.914
189 1HG LYS 27 1HG LYS 27 -3.432 -2.023 7.247
190 2HG LYS 27 2HG LYS 27 -2.708 -3.018 5.982
191 1HD LYS 27 1HD LYS 27 -0.541 -3.116 7.347
192 2HD LYS 27 2HD LYS 27 -1.365 -2.246 8.648
193 1HE LYS 27 1HE LYS 27 -3.083 -4.123 8.806
194 2HE LYS 27 2HE LYS 27 -2.270 -4.978 7.487
195 1HZ LYS 27 2HZ LYS 27 -0.269 -5.108 8.874
196 2HZ LYS 27 3HZ LYS 27 -1.023 -4.311 10.109
197 3HZ LYS 27 1HZ LYS 27 -1.560 -5.801 9.639
198 H CYS 28 H CYS 28 -3.769 1.976 4.870
199 HA CYS 28 HA CYS 28 -1.658 3.002 2.986
200 1HB CYS 28 1HB CYS 28 -4.233 3.259 2.585
201 2HB CYS 28 2HB CYS 28 -4.119 4.661 3.653
202 H MET 29 H MET 29 -0.138 4.302 3.498
203 HA MET 29 HA MET 29 0.007 5.893 6.085
204 1HB MET 29 1HB MET 29 1.988 5.639 3.716
205 2HB MET 29 2HB MET 29 2.273 6.613 5.150
206 1HG MET 29 1HG MET 29 1.941 3.556 5.206
207 2HG MET 29 2HG MET 29 3.464 4.454 5.310
208 1HE MET 29 2HE MET 29 3.959 3.083 7.600
209 2HE MET 29 1HE MET 29 2.856 3.100 9.007
210 3HE MET 29 3HE MET 29 2.359 2.284 7.495
211 H ASN 30 H ASN 30 1.040 8.286 5.393
212 HA ASN 30 HA ASN 30 -1.393 9.771 4.717
213 1HB ASN 30 1HB ASN 30 1.501 10.798 5.026
214 2HB ASN 30 2HB ASN 30 0.109 11.835 4.795
215 1HD2 ASN 30 1HD2 ASN 30 0.759 10.571 8.559
216 2HD2 ASN 30 2HD2 ASN 30 1.916 10.187 7.180
217 H ARG 31 H ARG 31 -2.159 9.546 2.806
218 HA ARG 31 HA ARG 31 -2.596 9.741 0.534
219 1HB ARG 31 1HB ARG 31 -0.050 11.451 0.282
220 2HB ARG 31 2HB ARG 31 -1.240 11.214 -0.984
221 1HG ARG 31 1HG ARG 31 -3.036 12.237 0.405
222 2HG ARG 31 2HG ARG 31 -1.910 12.524 1.720
223 1HD ARG 31 1HD ARG 31 -1.637 13.723 -1.119
224 2HD ARG 31 2HD ARG 31 -2.387 14.542 0.255
225 HE ARG 31 HE ARG 31 0.274 13.787 1.122
226 1HH1 ARG 31 2HH2 ARG 31 -1.189 15.990 -1.256
227 2HH1 ARG 31 1HH2 ARG 31 0.271 17.098 -1.146
228 1HH2 ARG 31 1HH1 ARG 31 1.880 15.118 1.167
229 2HH2 ARG 31 2HH1 ARG 31 1.890 16.636 0.135
230 H LYS 32 H LYS 32 -0.286 7.628 1.511
231 HA LYS 32 HA LYS 32 0.134 6.602 -1.361
232 1HB LYS 32 1HB LYS 32 2.385 6.763 0.764
233 2HB LYS 32 2HB LYS 32 2.444 5.801 -0.691
234 1HG LYS 32 2HG LYS 32 3.632 7.576 -1.428
235 2HG LYS 32 1HG LYS 32 2.056 7.973 -2.065
236 1HD LYS 32 1HD LYS 32 3.081 9.995 -1.212
237 2HD LYS 32 2HD LYS 32 1.711 9.637 -0.201
238 1HE LYS 32 1HE LYS 32 3.500 10.408 1.227
239 2HE LYS 32 2HE LYS 32 3.259 8.708 1.597
240 1HZ LYS 32 1HZ LYS 32 5.414 9.809 -0.152
241 2HZ LYS 32 2HZ LYS 32 5.604 9.254 1.392
242 3HZ LYS 32 3HZ LYS 32 5.204 8.204 0.181
243 H CYS 33 H CYS 33 -0.620 4.645 -1.517
244 HA CYS 33 HA CYS 33 -1.413 2.878 0.662
245 1HB CYS 33 1HB CYS 33 -0.996 2.387 -2.354
246 2HB CYS 33 2HB CYS 33 -1.560 1.111 -1.264
247 H HIS 34 H HIS 34 -0.448 1.241 1.748
248 HA HIS 34 HA HIS 34 2.108 -0.045 0.632
249 1HB HIS 34 1HB HIS 34 1.626 0.842 3.548
250 2HB HIS 34 2HB HIS 34 2.786 -0.394 3.114
251 HD1 HIS 34 HD1 HIS 34 5.117 0.331 1.960
252 HD2 HIS 34 HD2 HIS 34 2.227 3.443 2.590
253 HE1 HIS 34 HE1 HIS 34 6.167 2.634 1.515
254 HE2 HIS 34 HE2 HIS 34 4.521 4.584 1.888
255 H CYS 35 H CYS 35 1.310 -1.898 -0.041
256 HA CYS 35 HA CYS 35 -0.923 -3.362 1.252
257 1HB CYS 35 1HB CYS 35 1.045 -4.326 -0.925
258 2HB CYS 35 2HB CYS 35 -0.460 -5.124 -0.428
259 H THR 36 H THR 36 -0.860 -5.346 2.295
260 HA THR 36 HA THR 36 1.762 -6.111 3.719
261 HB THR 36 HB THR 36 -1.112 -6.560 4.689
262 HG1 THR 36 HG1 THR 36 -0.422 -4.399 4.717
263 1HG2 THR 36 3HG2 THR 36 1.577 -7.002 6.147
264 2HG2 THR 36 1HG2 THR 36 -0.041 -7.127 6.880
265 3HG2 THR 36 2HG2 THR 36 0.450 -8.285 5.626
266 HA PRO 37 HA PRO 37 1.014 -9.529 0.619
267 1HB PRO 37 1HB PRO 37 3.580 -10.527 1.989
268 2HB PRO 37 2HB PRO 37 3.145 -10.589 0.266
269 1HG PRO 37 2HG PRO 37 4.788 -8.627 1.131
270 2HG PRO 37 1HG PRO 37 3.453 -8.191 0.036
271 1HD PRO 37 1HD PRO 37 3.564 -7.861 3.089
272 2HD PRO 37 2HD PRO 37 2.982 -6.719 1.846
273 H LYS 38 H LYS 38 0.416 -11.686 0.578
274 HA LYS 38 HA LYS 38 -0.847 -12.705 3.098
275 1HB LYS 38 1HB LYS 38 -1.881 -12.637 0.680
276 2HB LYS 38 2HB LYS 38 -0.945 -14.066 0.326
277 1HG LYS 38 1HG LYS 38 -3.068 -13.752 2.554
278 2HG LYS 38 2HG LYS 38 -3.355 -14.427 0.963
279 1HD LYS 38 1HD LYS 38 -1.748 -16.313 1.452
280 2HD LYS 38 2HD LYS 38 -1.492 -15.696 3.077
281 1HE LYS 38 1HE LYS 38 -4.243 -16.592 1.976
282 2HE LYS 38 2HE LYS 38 -3.151 -17.615 2.907
283 1HZ LYS 38 3HZ LYS 38 -3.340 -16.064 4.775
284 2HZ LYS 38 1HZ LYS 38 -4.364 -15.091 3.918
285 3HZ LYS 38 2HZ LYS 38 -4.827 -16.624 4.324
No H/Q in entry = 285
No H/Q in entry = 285