Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | position | program | type |
|
|
1301 | 1agg RC | cing | recoord | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Orig H atom name
Start of MODEL 1
Raw file had 348 H/Q atoms
Start of MODEL 1
1 1H GLU 1 2H GLU 1 18.401 11.521 6.279
2 2H GLU 1 3H GLU 1 17.884 11.074 4.775
3 3H GLU 1 1H GLU 1 18.391 12.623 5.049
4 HA GLU 1 HA GLU 1 16.546 13.051 6.560
5 1HB GLU 1 1HB GLU 1 16.334 13.550 4.082
6 2HB GLU 1 2HB GLU 1 15.752 11.926 3.776
7 1HG GLU 1 1HG GLU 1 13.882 13.467 3.725
8 2HG GLU 1 2HG GLU 1 13.662 12.382 5.080
9 HE2 GLU 1 HE2 GLU 1 13.703 14.844 7.490
10 H ASP 2 H ASP 2 15.471 12.106 8.087
11 HA ASP 2 HA ASP 2 14.223 9.310 7.732
12 1HB ASP 2 1HB ASP 2 15.467 10.470 10.317
13 2HB ASP 2 2HB ASP 2 14.429 9.060 10.270
14 HD1 ASP 2 HD2 ASP 2 15.040 7.318 9.163
15 H ASN 3 H ASN 3 12.090 9.561 7.657
16 HA ASN 3 HA ASN 3 10.489 10.659 9.652
17 1HB ASN 3 1HB ASN 3 9.238 12.400 8.601
18 2HB ASN 3 2HB ASN 3 10.823 12.953 9.092
19 1HD2 ASN 3 1HD2 ASN 3 10.251 14.709 5.898
20 2HD2 ASN 3 2HD2 ASN 3 9.620 14.676 7.621
21 H CYS 4 H CYS 4 10.013 8.794 9.170
22 HA CYS 4 HA CYS 4 7.764 8.179 7.107
23 1HB CYS 4 1HB CYS 4 8.422 6.027 6.939
24 2HB CYS 4 2HB CYS 4 9.578 6.930 6.114
25 H ILE 5 H ILE 5 6.578 6.126 7.681
26 HA ILE 5 HA ILE 5 5.979 6.136 10.763
27 HB ILE 5 HB ILE 5 3.838 5.410 8.653
28 1HG1 ILE 5 1HG1 ILE 5 4.121 7.890 10.336
29 2HG1 ILE 5 2HG1 ILE 5 4.482 7.810 8.619
30 1HG2 ILE 5 2HG2 ILE 5 3.614 4.158 10.855
31 2HG2 ILE 5 3HG2 ILE 5 3.544 5.718 11.714
32 3HG2 ILE 5 1HG2 ILE 5 2.297 5.244 10.544
33 1HD1 ILE 5 3HD1 ILE 5 1.764 7.252 9.814
34 2HD1 ILE 5 1HD1 ILE 5 2.215 8.746 9.000
35 3HD1 ILE 5 2HD1 ILE 5 2.156 7.210 8.078
36 H ALA 6 H ALA 6 7.245 4.415 11.367
37 HA ALA 6 HA ALA 6 7.772 2.169 9.413
38 1HB ALA 6 2HB ALA 6 9.611 3.113 10.946
39 2HB ALA 6 3HB ALA 6 8.726 2.540 12.387
40 3HB ALA 6 1HB ALA 6 9.410 1.376 11.228
41 H GLU 7 H GLU 7 5.266 2.593 11.046
42 HA GLU 7 HA GLU 7 4.662 -0.161 12.252
43 1HB GLU 7 1HB GLU 7 3.288 2.556 12.528
44 2HB GLU 7 2HB GLU 7 2.775 1.081 13.340
45 1HG GLU 7 1HG GLU 7 4.949 0.931 14.582
46 2HG GLU 7 2HG GLU 7 5.499 2.420 13.818
47 HE1 GLU 7 HE2 GLU 7 2.683 2.464 16.735
48 H ASP 8 H ASP 8 2.819 -1.176 12.183
49 HA ASP 8 HA ASP 8 1.108 -0.854 9.683
50 1HB ASP 8 1HB ASP 8 0.774 -3.222 9.745
51 2HB ASP 8 2HB ASP 8 2.502 -3.003 10.028
52 HD2 ASP 8 HD2 ASP 8 0.619 -5.072 10.578
53 H TYR 9 H TYR 9 1.006 -0.256 12.092
54 HA TYR 9 HA TYR 9 -1.912 0.444 12.534
55 1HB TYR 9 1HB TYR 9 -0.702 -0.854 15.074
56 2HB TYR 9 2HB TYR 9 -2.350 -0.324 14.817
57 HD1 TYR 9 HD1 TYR 9 -3.630 -1.589 12.763
58 HD2 TYR 9 HD2 TYR 9 -0.083 -3.171 14.590
59 HE1 TYR 9 HE1 TYR 9 -4.233 -3.841 11.994
60 HE2 TYR 9 HE2 TYR 9 -0.701 -5.411 13.837
61 HH TYR 9 HH TYR 9 -3.641 -5.974 11.909
62 H GLY 10 H GLY 10 0.673 1.809 12.169
63 1HA GLY 10 1HA GLY 10 1.304 3.714 14.369
64 2HA GLY 10 2HA GLY 10 1.602 3.994 12.707
65 H LYS 11 H LYS 11 1.017 6.023 13.821
66 HA LYS 11 HA LYS 11 -1.921 6.748 13.142
67 1HB LYS 11 1HB LYS 11 -0.019 8.809 14.274
68 2HB LYS 11 2HB LYS 11 -1.732 8.905 14.112
69 1HG LYS 11 1HG LYS 11 -0.295 7.112 16.157
70 2HG LYS 11 2HG LYS 11 -1.065 8.654 16.491
71 1HD LYS 11 1HD LYS 11 -3.304 7.744 15.847
72 2HD LYS 11 2HD LYS 11 -2.608 6.189 15.421
73 1HE LYS 11 1HE LYS 11 -2.514 7.407 18.269
74 2HE LYS 11 2HE LYS 11 -3.749 6.286 17.700
75 1HZ LYS 11 1HZ LYS 11 -2.061 4.623 17.324
76 2HZ LYS 11 2HZ LYS 11 -2.050 5.122 18.881
77 H CYS 12 H CYS 12 -2.129 7.695 11.380
78 HA CYS 12 HA CYS 12 0.088 8.945 9.657
79 1HB CYS 12 1HB CYS 12 -0.288 7.484 7.716
80 2HB CYS 12 2HB CYS 12 0.001 6.408 9.059
81 H THR 13 H THR 13 -0.888 9.442 7.464
82 HA THR 13 HA THR 13 -3.742 10.603 7.662
83 HB THR 13 HB THR 13 -1.397 12.120 6.507
84 HG1 THR 13 HG1 THR 13 -1.373 13.327 8.505
85 1HG2 THR 13 3HG2 THR 13 -4.048 13.272 7.496
86 2HG2 THR 13 1HG2 THR 13 -2.617 14.231 7.015
87 3HG2 THR 13 2HG2 THR 13 -3.413 13.238 5.812
88 H TRP 14 H TRP 14 -4.306 11.415 5.783
89 HA TRP 14 HA TRP 14 -3.725 9.827 3.170
90 1HB TRP 14 1HB TRP 14 -6.360 11.235 3.951
91 2HB TRP 14 2HB TRP 14 -5.998 10.687 2.332
92 HD1 TRP 14 HD1 TRP 14 -4.728 7.678 3.222
93 HE1 TRP 14 HE1 TRP 14 -6.423 5.742 3.760
94 HE3 TRP 14 HE3 TRP 14 -8.724 10.689 4.270
95 HZ2 TRP 14 HZ2 TRP 14 -9.178 5.711 4.513
96 HZ3 TRP 14 HZ3 TRP 14 -10.874 9.637 4.883
97 HH2 TRP 14 HH2 TRP 14 -11.098 7.188 5.001
98 H GLY 15 H GLY 15 -1.963 11.170 2.750
99 1HA GLY 15 1HA GLY 15 -1.533 13.219 1.110
100 2HA GLY 15 2HA GLY 15 -2.453 14.175 2.255
101 H GLY 16 H GLY 16 -1.426 12.843 4.599
102 1HA GLY 16 1HA GLY 16 1.155 14.247 5.244
103 2HA GLY 16 2HA GLY 16 0.278 13.234 6.246
104 H THR 17 H THR 17 2.188 12.403 6.778
105 HA THR 17 HA THR 17 3.920 10.730 5.060
106 HB THR 17 HB THR 17 3.707 9.847 8.013
107 HG1 THR 17 HG1 THR 17 3.664 12.169 7.980
108 1HG2 THR 17 2HG2 THR 17 5.440 8.777 6.528
109 2HG2 THR 17 3HG2 THR 17 6.169 10.349 6.188
110 3HG2 THR 17 1HG2 THR 17 6.169 9.686 7.838
111 H LYS 18 H LYS 18 3.930 8.693 4.665
112 HA LYS 18 HA LYS 18 1.621 6.732 5.316
113 1HB LYS 18 1HB LYS 18 3.420 6.201 2.971
114 2HB LYS 18 2HB LYS 18 1.847 5.618 3.307
115 1HG LYS 18 1HG LYS 18 2.427 8.454 2.284
116 2HG LYS 18 2HG LYS 18 1.890 7.107 1.309
117 1HD LYS 18 1HD LYS 18 0.243 8.344 3.614
118 2HD LYS 18 2HD LYS 18 0.097 8.787 1.919
119 1HE LYS 18 1HE LYS 18 -0.568 6.394 1.336
120 2HE LYS 18 2HE LYS 18 -0.480 5.962 3.049
121 1HZ LYS 18 1HZ LYS 18 -2.250 8.052 1.909
122 2HZ LYS 18 2HZ LYS 18 -2.170 7.652 3.492
123 H CYS 19 H CYS 19 2.629 4.564 4.939
124 HA CYS 19 HA CYS 19 4.626 4.462 7.217
125 1HB CYS 19 1HB CYS 19 2.769 2.341 6.127
126 2HB CYS 19 2HB CYS 19 4.211 1.805 7.005
127 H CYS 20 H CYS 20 6.368 3.619 7.228
128 HA CYS 20 HA CYS 20 8.179 4.665 5.743
129 1HB CYS 20 1HB CYS 20 8.390 3.590 8.043
130 2HB CYS 20 2HB CYS 20 8.922 2.082 7.301
131 H ARG 21 H ARG 21 7.501 1.214 5.434
132 HA ARG 21 HA ARG 21 9.522 0.778 3.164
133 1HB ARG 21 1HB ARG 21 9.508 -0.737 5.289
134 2HB ARG 21 2HB ARG 21 7.899 -1.283 4.856
135 1HG ARG 21 1HG ARG 21 9.598 -2.954 4.349
136 2HG ARG 21 2HG ARG 21 8.785 -2.479 2.876
137 1HD ARG 21 1HD ARG 21 10.770 -0.963 2.296
138 2HD ARG 21 2HD ARG 21 11.584 -1.481 3.771
139 1HH1 ARG 21 2HH2 ARG 21 12.535 -3.244 4.447
140 2HH1 ARG 21 1HH2 ARG 21 13.413 -4.773 3.938
141 1HH2 ARG 21 1HH1 ARG 21 12.009 -4.779 0.785
142 2HH2 ARG 21 2HH1 ARG 21 13.132 -5.587 1.991
143 H GLY 22 H GLY 22 7.281 2.131 2.831
144 1HA GLY 22 1HA GLY 22 5.673 2.631 0.965
145 2HA GLY 22 2HA GLY 22 6.228 1.182 0.167
146 H ARG 23 H ARG 23 4.804 1.681 3.235
147 HA ARG 23 HA ARG 23 2.833 -0.595 2.822
148 1HB ARG 23 1HB ARG 23 4.021 0.794 5.238
149 2HB ARG 23 2HB ARG 23 2.671 -0.294 5.469
150 1HG ARG 23 1HG ARG 23 5.418 -1.002 4.246
151 2HG ARG 23 2HG ARG 23 5.015 -1.130 5.953
152 1HD ARG 23 1HD ARG 23 3.224 -2.802 5.488
153 2HD ARG 23 2HD ARG 23 3.525 -2.694 3.747
154 1HH1 ARG 23 2HH2 ARG 23 3.053 -4.944 5.452
155 2HH1 ARG 23 1HH2 ARG 23 3.989 -6.502 5.702
156 1HH2 ARG 23 1HH1 ARG 23 7.021 -5.056 4.914
157 2HH2 ARG 23 2HH1 ARG 23 6.095 -6.559 5.416
158 HA PRO 24 HA PRO 24 -0.398 2.514 2.322
159 1HB PRO 24 1HB PRO 24 -2.662 0.895 2.283
160 2HB PRO 24 2HB PRO 24 -1.406 0.821 1.042
161 1HG PRO 24 1HG PRO 24 -1.691 -1.007 3.492
162 2HG PRO 24 2HG PRO 24 -1.515 -1.494 1.793
163 1HD PRO 24 1HD PRO 24 0.662 -1.370 3.469
164 2HD PRO 24 2HD PRO 24 0.814 -0.885 1.754
165 H CYS 25 H CYS 25 -2.538 3.220 3.156
166 HA CYS 25 HA CYS 25 -2.884 2.862 6.167
167 1HB CYS 25 1HB CYS 25 -1.990 5.392 4.854
168 2HB CYS 25 2HB CYS 25 -3.486 5.597 5.822
169 H ARG 26 H ARG 26 -4.865 3.105 6.870
170 HA ARG 26 HA ARG 26 -7.191 3.822 5.144
171 1HB ARG 26 1HB ARG 26 -6.955 1.263 4.905
172 2HB ARG 26 2HB ARG 26 -7.160 1.108 6.635
173 1HG ARG 26 1HG ARG 26 -9.251 0.576 5.550
174 2HG ARG 26 2HG ARG 26 -9.472 2.042 6.478
175 1HD ARG 26 1HD ARG 26 -10.661 2.235 4.363
176 2HD ARG 26 2HD ARG 26 -9.399 3.438 4.409
177 1HH1 ARG 26 1HH2 ARG 26 -7.454 4.109 1.444
178 2HH1 ARG 26 2HH2 ARG 26 -8.274 4.207 3.083
179 1HH2 ARG 26 1HH1 ARG 26 -8.322 0.818 0.951
180 2HH2 ARG 26 2HH1 ARG 26 -7.481 2.323 0.323
181 H CYS 27 H CYS 27 -8.570 5.007 6.467
182 HA CYS 27 HA CYS 27 -7.318 5.797 8.842
183 1HB CYS 27 1HB CYS 27 -10.005 6.580 7.642
184 2HB CYS 27 2HB CYS 27 -9.754 7.173 9.233
185 H SER 28 H SER 28 -8.497 6.299 10.830
186 HA SER 28 HA SER 28 -9.384 4.141 12.626
187 1HB SER 28 1HB SER 28 -9.447 7.264 12.649
188 2HB SER 28 2HB SER 28 -9.939 6.352 14.043
189 HG SER 28 HG SER 28 -7.431 6.144 12.782
190 H MET 29 H MET 29 -11.360 4.767 13.990
191 HA MET 29 HA MET 29 -13.670 3.603 12.528
192 1HB MET 29 1HB MET 29 -13.241 4.665 15.422
193 2HB MET 29 2HB MET 29 -14.803 4.133 14.876
194 1HG MET 29 1HG MET 29 -13.812 2.272 16.027
195 2HG MET 29 2HG MET 29 -13.857 1.835 14.311
196 1HE MET 29 2HE MET 29 -12.038 -0.084 14.628
197 2HE MET 29 1HE MET 29 -10.484 0.152 15.481
198 3HE MET 29 3HE MET 29 -12.023 0.258 16.387
199 H ILE 30 H ILE 30 -12.911 6.855 13.528
200 HA ILE 30 HA ILE 30 -15.704 7.951 13.035
201 HB ILE 30 HB ILE 30 -14.130 8.894 14.859
202 1HG1 ILE 30 1HG1 ILE 30 -14.454 11.363 14.294
203 2HG1 ILE 30 2HG1 ILE 30 -14.947 10.941 12.666
204 1HG2 ILE 30 3HG2 ILE 30 -11.927 8.795 13.513
205 2HG2 ILE 30 1HG2 ILE 30 -12.496 10.170 12.537
206 3HG2 ILE 30 2HG2 ILE 30 -12.222 10.361 14.278
207 1HD1 ILE 30 2HD1 ILE 30 -16.419 10.086 15.260
208 2HD1 ILE 30 3HD1 ILE 30 -16.886 11.431 14.192
209 3HD1 ILE 30 1HD1 ILE 30 -16.989 9.761 13.599
210 H GLY 31 H GLY 31 -12.611 8.078 11.275
211 1HA GLY 31 1HA GLY 31 -13.152 7.769 8.619
212 2HA GLY 31 2HA GLY 31 -14.064 9.254 8.816
213 H THR 32 H THR 32 -12.274 10.531 10.588
214 HA THR 32 HA THR 32 -9.887 11.233 8.765
215 HB THR 32 HB THR 32 -9.739 13.393 10.070
216 HG1 THR 32 HG1 THR 32 -11.596 13.981 11.270
217 1HG2 THR 32 3HG2 THR 32 -10.988 13.373 7.860
218 2HG2 THR 32 1HG2 THR 32 -12.512 13.024 8.718
219 3HG2 THR 32 2HG2 THR 32 -11.667 14.564 8.991
220 H ASN 33 H ASN 33 -7.888 11.731 9.966
221 HA ASN 33 HA ASN 33 -6.148 11.407 11.537
222 1HB ASN 33 1HB ASN 33 -8.436 10.587 13.509
223 2HB ASN 33 2HB ASN 33 -6.791 10.378 13.906
224 1HD2 ASN 33 1HD2 ASN 33 -8.364 14.142 14.144
225 2HD2 ASN 33 2HD2 ASN 33 -9.323 12.702 13.532
226 H CYS 34 H CYS 34 -6.024 9.895 9.686
227 HA CYS 34 HA CYS 34 -6.913 7.259 9.849
228 1HB CYS 34 1HB CYS 34 -4.550 8.336 8.271
229 2HB CYS 34 2HB CYS 34 -4.944 6.635 8.087
230 H GLU 35 H GLU 35 -5.620 5.213 9.707
231 HA GLU 35 HA GLU 35 -3.078 5.201 11.431
232 1HB GLU 35 1HB GLU 35 -4.771 2.665 11.493
233 2HB GLU 35 2HB GLU 35 -3.472 3.100 12.490
234 1HG GLU 35 1HG GLU 35 -4.685 4.799 13.756
235 2HG GLU 35 2HG GLU 35 -6.139 4.535 12.781
236 HE1 GLU 35 HE2 GLU 35 -4.967 1.855 15.592
237 H CYS 36 H CYS 36 -2.031 3.073 11.100
238 HA CYS 36 HA CYS 36 -1.472 2.730 8.075
239 1HB CYS 36 1HB CYS 36 0.376 2.420 10.532
240 2HB CYS 36 2HB CYS 36 0.712 1.403 9.232
241 H THR 37 H THR 37 -1.060 0.705 7.261
242 HA THR 37 HA THR 37 -2.466 -1.681 8.530
243 HB THR 37 HB THR 37 -3.636 -2.138 6.308
244 HG1 THR 37 HG1 THR 37 -3.957 -0.304 4.983
245 1HG2 THR 37 1HG2 THR 37 -4.910 -1.115 8.268
246 2HG2 THR 37 2HG2 THR 37 -4.530 0.517 7.654
247 3HG2 THR 37 3HG2 THR 37 -5.545 -0.582 6.697
248 HA PRO 38 HA PRO 38 1.308 -3.529 6.706
249 1HB PRO 38 1HB PRO 38 0.648 -6.255 6.833
250 2HB PRO 38 2HB PRO 38 1.064 -5.267 8.235
251 1HG PRO 38 1HG PRO 38 -1.732 -5.995 7.232
252 2HG PRO 38 2HG PRO 38 -1.101 -6.096 8.895
253 1HD PRO 38 1HD PRO 38 -2.609 -3.934 8.073
254 2HD PRO 38 2HD PRO 38 -1.274 -3.720 9.212
255 H ARG 39 H ARG 39 -1.613 -5.018 5.281
256 HA ARG 39 HA ARG 39 -0.751 -4.165 2.529
257 1HB ARG 39 1HB ARG 39 -0.730 -6.426 1.500
258 2HB ARG 39 2HB ARG 39 0.561 -6.187 2.640
259 1HG ARG 39 1HG ARG 39 -0.827 -7.589 4.367
260 2HG ARG 39 2HG ARG 39 -1.934 -7.931 3.048
261 1HD ARG 39 1HD ARG 39 -0.439 -9.807 3.159
262 2HD ARG 39 2HD ARG 39 0.001 -8.916 1.699
263 1HH1 ARG 39 2HH2 ARG 39 1.459 -10.454 1.432
264 2HH1 ARG 39 1HH2 ARG 39 3.259 -10.775 1.590
265 1HH2 ARG 39 1HH1 ARG 39 3.649 -8.564 4.203
266 2HH2 ARG 39 2HH1 ARG 39 4.413 -9.775 3.055
267 H LEU 40 H LEU 40 -2.466 -3.651 1.458
268 HA LEU 40 HA LEU 40 -5.255 -4.704 2.241
269 1HB LEU 40 1HB LEU 40 -4.484 -2.054 0.878
270 2HB LEU 40 2HB LEU 40 -6.126 -2.594 1.155
271 HG LEU 40 HG LEU 40 -4.090 -1.980 3.382
272 1HD1 LEU 40 3HD1 LEU 40 -4.802 0.056 2.048
273 2HD1 LEU 40 1HD1 LEU 40 -6.497 -0.281 2.467
274 3HD1 LEU 40 2HD1 LEU 40 -5.317 0.118 3.742
275 1HD2 LEU 40 2HD2 LEU 40 -7.115 -2.597 3.610
276 2HD2 LEU 40 3HD2 LEU 40 -5.784 -3.617 4.210
277 3HD2 LEU 40 1HD2 LEU 40 -6.077 -2.033 4.940
278 H ILE 41 H ILE 41 -6.082 -6.040 0.820
279 HA ILE 41 HA ILE 41 -4.894 -6.522 -1.879
280 HB ILE 41 HB ILE 41 -5.803 -8.360 -0.341
281 1HG1 ILE 41 1HG1 ILE 41 -7.249 -8.258 -3.087
282 2HG1 ILE 41 2HG1 ILE 41 -5.525 -8.537 -2.916
283 1HG2 ILE 41 1HG2 ILE 41 -7.957 -7.157 0.437
284 2HG2 ILE 41 2HG2 ILE 41 -8.649 -7.387 -1.186
285 3HG2 ILE 41 3HG2 ILE 41 -8.259 -8.788 -0.168
286 1HD1 ILE 41 1HD1 ILE 41 -5.949 -10.627 -1.562
287 2HD1 ILE 41 2HD1 ILE 41 -7.704 -10.405 -1.796
288 3HD1 ILE 41 3HD1 ILE 41 -6.649 -10.692 -3.197
289 H MET 42 H MET 42 -5.527 -5.823 -3.748
290 HA MET 42 HA MET 42 -6.439 -4.480 -5.465
291 1HB MET 42 1HB MET 42 -8.627 -5.742 -4.880
292 2HB MET 42 2HB MET 42 -9.086 -4.422 -3.821
293 1HG MET 42 1HG MET 42 -10.200 -4.224 -6.023
294 2HG MET 42 2HG MET 42 -9.142 -2.842 -5.750
295 1HE MET 42 2HE MET 42 -10.010 -5.869 -8.021
296 2HE MET 42 1HE MET 42 -8.485 -6.230 -8.883
297 3HE MET 42 3HE MET 42 -8.654 -6.657 -7.155
298 H GLU 43 H GLU 43 -5.169 -2.821 -5.221
299 HA GLU 43 HA GLU 43 -4.317 -0.656 -4.839
300 1HB GLU 43 1HB GLU 43 -6.936 0.014 -3.287
301 2HB GLU 43 2HB GLU 43 -5.631 1.108 -3.597
302 1HG GLU 43 1HG GLU 43 -7.159 1.734 -5.206
303 2HG GLU 43 2HG GLU 43 -5.947 0.853 -6.112
304 HE2 GLU 43 HE2 GLU 43 -8.175 -1.451 -7.342
305 H GLY 44 H GLY 44 -2.882 -0.133 -3.433
306 1HA GLY 44 1HA GLY 44 -1.998 0.366 -1.168
307 2HA GLY 44 2HA GLY 44 -3.024 -0.853 -0.445
308 H LEU 45 H LEU 45 -2.161 -2.832 -0.182
309 HA LEU 45 HA LEU 45 -0.753 -4.717 -0.142
310 1HB LEU 45 1HB LEU 45 0.295 -3.644 -2.875
311 2HB LEU 45 2HB LEU 45 0.660 -5.220 -2.235
312 HG LEU 45 HG LEU 45 -2.210 -4.325 -2.887
313 1HD1 LEU 45 3HD1 LEU 45 -0.817 -4.350 -4.955
314 2HD1 LEU 45 1HD1 LEU 45 -0.285 -6.014 -4.608
315 3HD1 LEU 45 2HD1 LEU 45 -1.997 -5.674 -4.969
316 1HD2 LEU 45 2HD2 LEU 45 -1.067 -7.142 -2.286
317 2HD2 LEU 45 3HD2 LEU 45 -2.167 -6.212 -1.239
318 3HD2 LEU 45 1HD2 LEU 45 -2.731 -6.793 -2.815
319 H SER 46 H SER 46 1.296 -5.429 0.356
320 HA SER 46 HA SER 46 3.035 -3.484 1.726
321 1HB SER 46 1HB SER 46 4.455 -5.499 2.270
322 2HB SER 46 2HB SER 46 2.764 -5.764 2.639
323 HG SER 46 HG SER 46 2.587 -6.871 0.629
324 H PHE 47 H PHE 47 4.669 -2.424 1.033
325 HA PHE 47 HA PHE 47 6.338 -1.404 -0.290
326 1HB PHE 47 1HB PHE 47 7.406 -3.776 0.098
327 2HB PHE 47 2HB PHE 47 6.859 -4.230 -1.493
328 HD1 PHE 47 HD1 PHE 47 9.104 -1.919 0.423
329 HD2 PHE 47 HD2 PHE 47 8.070 -3.357 -3.498
330 HE1 PHE 47 HE1 PHE 47 11.132 -0.883 -0.499
331 HE2 PHE 47 HE2 PHE 47 10.105 -2.313 -4.404
332 HZ PHE 47 HZ PHE 47 11.637 -1.074 -2.912
333 H ALA 48 H ALA 48 4.992 -0.142 -1.404
334 HA ALA 48 HA ALA 48 4.598 -0.680 -4.356
335 1HB ALA 48 1HB ALA 48 2.177 -0.112 -2.484
336 2HB ALA 48 2HB ALA 48 2.125 -0.159 -4.264
337 3HB ALA 48 3HB ALA 48 2.489 -1.635 -3.350
338 HXT ALA 48 HO ALA 48 4.012 2.952 -2.549
No H/Q in entry = 338
Start of MODEL 2
Raw file had 348 H/Q atoms
Start of MODEL 2
1 1H GLU 1 1H GLU 1 11.692 5.674 5.626
2 2H GLU 1 2H GLU 1 12.636 6.638 4.673
3 3H GLU 1 3H GLU 1 12.566 5.012 4.390
4 HA GLU 1 HA GLU 1 13.635 4.521 6.520
5 1HB GLU 1 1HB GLU 1 14.955 4.858 4.354
6 2HB GLU 1 2HB GLU 1 15.147 6.566 4.731
7 1HG GLU 1 1HG GLU 1 16.425 5.872 6.871
8 2HG GLU 1 2HG GLU 1 16.254 4.190 6.380
9 HE1 GLU 1 HE2 GLU 1 18.824 6.718 4.512
10 H ASP 2 H ASP 2 14.300 7.980 5.955
11 HA ASP 2 HA ASP 2 14.214 8.502 8.947
12 1HB ASP 2 1HB ASP 2 15.183 10.693 8.417
13 2HB ASP 2 2HB ASP 2 16.115 9.419 7.690
14 HD2 ASP 2 HD2 ASP 2 16.164 9.216 5.588
15 H ASN 3 H ASN 3 12.654 9.464 9.960
16 HA ASN 3 HA ASN 3 10.714 10.643 10.602
17 1HB ASN 3 1HB ASN 3 10.867 11.906 7.798
18 2HB ASN 3 2HB ASN 3 9.902 12.572 9.090
19 1HD2 ASN 3 1HD2 ASN 3 12.666 14.271 10.705
20 2HD2 ASN 3 2HD2 ASN 3 11.021 13.505 10.978
21 H CYS 4 H CYS 4 10.622 8.373 8.860
22 HA CYS 4 HA CYS 4 7.870 8.319 7.548
23 1HB CYS 4 1HB CYS 4 8.328 6.203 6.996
24 2HB CYS 4 2HB CYS 4 9.562 7.077 6.293
25 H ILE 5 H ILE 5 6.509 6.229 7.821
26 HA ILE 5 HA ILE 5 6.005 5.850 10.877
27 HB ILE 5 HB ILE 5 3.724 5.279 8.899
28 1HG1 ILE 5 1HG1 ILE 5 4.058 7.771 10.572
29 2HG1 ILE 5 2HG1 ILE 5 4.525 7.750 8.882
30 1HG2 ILE 5 3HG2 ILE 5 3.783 5.555 11.963
31 2HG2 ILE 5 1HG2 ILE 5 2.354 5.316 10.959
32 3HG2 ILE 5 2HG2 ILE 5 3.550 4.056 11.024
33 1HD1 ILE 5 3HD1 ILE 5 1.754 7.059 9.839
34 2HD1 ILE 5 1HD1 ILE 5 2.239 8.634 9.204
35 3HD1 ILE 5 2HD1 ILE 5 2.287 7.197 8.139
36 H ALA 6 H ALA 6 7.430 4.145 11.038
37 HA ALA 6 HA ALA 6 7.581 2.006 8.894
38 1HB ALA 6 2HB ALA 6 9.674 2.853 10.098
39 2HB ALA 6 3HB ALA 6 9.058 2.224 11.651
40 3HB ALA 6 1HB ALA 6 9.491 1.107 10.334
41 H GLU 7 H GLU 7 5.396 2.386 10.909
42 HA GLU 7 HA GLU 7 4.989 -0.369 12.121
43 1HB GLU 7 1HB GLU 7 3.592 2.349 12.642
44 2HB GLU 7 2HB GLU 7 3.257 0.890 13.523
45 1HG GLU 7 1HG GLU 7 4.588 1.994 15.019
46 2HG GLU 7 2HG GLU 7 5.699 0.825 14.332
47 HE2 GLU 7 HE2 GLU 7 7.961 3.270 13.566
48 H ASP 8 H ASP 8 3.036 -1.157 12.537
49 HA ASP 8 HA ASP 8 0.962 -0.987 10.278
50 1HB ASP 8 1HB ASP 8 1.199 -3.351 12.152
51 2HB ASP 8 2HB ASP 8 0.109 -3.158 10.801
52 HD2 ASP 8 HD2 ASP 8 2.014 -5.116 11.341
53 H TYR 9 H TYR 9 -0.705 -0.332 11.046
54 HA TYR 9 HA TYR 9 -2.281 1.107 12.252
55 1HB TYR 9 1HB TYR 9 -1.593 -0.700 14.695
56 2HB TYR 9 2HB TYR 9 -3.042 0.240 14.464
57 HD1 TYR 9 HD1 TYR 9 -4.480 -0.329 12.216
58 HD2 TYR 9 HD2 TYR 9 -1.597 -3.009 13.956
59 HE1 TYR 9 HE1 TYR 9 -5.270 -2.151 10.759
60 HE2 TYR 9 HE2 TYR 9 -2.401 -4.812 12.497
61 HH TYR 9 HH TYR 9 -3.804 -5.388 10.885
62 H GLY 10 H GLY 10 0.511 1.972 12.125
63 1HA GLY 10 1HA GLY 10 0.973 3.792 14.524
64 2HA GLY 10 2HA GLY 10 1.907 3.845 13.119
65 H LYS 11 H LYS 11 0.848 5.887 14.252
66 HA LYS 11 HA LYS 11 -1.732 6.782 12.935
67 1HB LYS 11 1HB LYS 11 0.121 8.822 14.218
68 2HB LYS 11 2HB LYS 11 -1.580 8.953 13.930
69 1HG LYS 11 1HG LYS 11 -2.055 7.115 15.610
70 2HG LYS 11 2HG LYS 11 -0.353 7.078 16.047
71 1HD LYS 11 1HD LYS 11 -2.196 9.547 16.296
72 2HD LYS 11 2HD LYS 11 -1.839 8.417 17.596
73 1HE LYS 11 1HE LYS 11 0.628 9.020 17.476
74 2HE LYS 11 2HE LYS 11 0.280 10.180 16.186
75 1HZ LYS 11 1HZ LYS 11 -1.148 11.388 17.694
76 2HZ LYS 11 2HZ LYS 11 0.365 11.264 18.301
77 H CYS 12 H CYS 12 -1.913 7.688 11.263
78 HA CYS 12 HA CYS 12 0.201 9.090 9.525
79 1HB CYS 12 1HB CYS 12 -0.455 7.776 7.473
80 2HB CYS 12 2HB CYS 12 0.116 6.679 8.691
81 H THR 13 H THR 13 -0.847 9.878 7.481
82 HA THR 13 HA THR 13 -3.817 10.519 7.713
83 HB THR 13 HB THR 13 -3.873 12.772 7.871
84 HG1 THR 13 HG1 THR 13 -2.321 14.196 7.034
85 1HG2 THR 13 2HG2 THR 13 -2.350 12.377 9.919
86 2HG2 THR 13 3HG2 THR 13 -0.918 12.657 8.886
87 3HG2 THR 13 1HG2 THR 13 -2.060 13.975 9.194
88 H TRP 14 H TRP 14 -4.711 11.068 5.847
89 HA TRP 14 HA TRP 14 -3.284 10.375 3.217
90 1HB TRP 14 1HB TRP 14 -6.243 11.065 3.752
91 2HB TRP 14 2HB TRP 14 -5.565 10.760 2.166
92 HD1 TRP 14 HD1 TRP 14 -3.684 8.073 3.289
93 HE1 TRP 14 HE1 TRP 14 -4.891 5.752 3.537
94 HE3 TRP 14 HE3 TRP 14 -8.452 9.916 3.464
95 HZ2 TRP 14 HZ2 TRP 14 -7.632 4.984 3.746
96 HZ3 TRP 14 HZ3 TRP 14 -10.331 8.324 3.677
97 HH2 TRP 14 HH2 TRP 14 -9.929 5.899 3.816
98 H GLY 15 H GLY 15 -1.961 11.926 2.877
99 1HA GLY 15 1HA GLY 15 -1.348 14.187 1.934
100 2HA GLY 15 2HA GLY 15 -2.726 14.906 2.772
101 H GLY 16 H GLY 16 0.052 12.848 3.496
102 1HA GLY 16 1HA GLY 16 1.157 14.357 5.927
103 2HA GLY 16 2HA GLY 16 0.151 12.991 6.269
104 H THR 17 H THR 17 1.984 12.253 7.184
105 HA THR 17 HA THR 17 4.093 10.920 5.447
106 HB THR 17 HB THR 17 3.715 9.744 8.263
107 HG1 THR 17 HG1 THR 17 4.956 11.497 9.056
108 1HG2 THR 17 2HG2 THR 17 5.527 8.930 6.718
109 2HG2 THR 17 3HG2 THR 17 6.245 10.555 6.697
110 3HG2 THR 17 1HG2 THR 17 6.131 9.632 8.216
111 H LYS 18 H LYS 18 4.051 8.949 4.819
112 HA LYS 18 HA LYS 18 1.634 7.026 5.098
113 1HB LYS 18 1HB LYS 18 3.697 6.545 2.979
114 2HB LYS 18 2HB LYS 18 2.062 6.049 3.068
115 1HG LYS 18 1HG LYS 18 2.901 8.904 2.314
116 2HG LYS 18 2HG LYS 18 2.410 7.632 1.207
117 1HD LYS 18 1HD LYS 18 0.120 7.549 2.245
118 2HD LYS 18 2HD LYS 18 0.581 8.798 3.407
119 1HE LYS 18 1HE LYS 18 0.973 10.443 1.531
120 2HE LYS 18 2HE LYS 18 0.557 9.202 0.337
121 1HZ LYS 18 1HZ LYS 18 -1.300 10.639 0.852
122 2HZ LYS 18 2HZ LYS 18 -1.246 10.260 2.441
123 H CYS 19 H CYS 19 2.578 4.810 4.714
124 HA CYS 19 HA CYS 19 4.234 4.532 7.256
125 1HB CYS 19 1HB CYS 19 2.515 2.414 5.926
126 2HB CYS 19 2HB CYS 19 3.242 2.327 7.549
127 H CYS 20 H CYS 20 6.038 4.396 6.969
128 HA CYS 20 HA CYS 20 7.902 5.028 5.688
129 1HB CYS 20 1HB CYS 20 8.136 3.641 7.749
130 2HB CYS 20 2HB CYS 20 8.432 2.188 6.760
131 H ARG 21 H ARG 21 9.006 1.803 4.892
132 HA ARG 21 HA ARG 21 9.125 2.606 1.971
133 1HB ARG 21 1HB ARG 21 11.147 1.177 1.911
134 2HB ARG 21 2HB ARG 21 11.278 2.231 3.289
135 1HG ARG 21 1HG ARG 21 10.560 0.265 4.807
136 2HG ARG 21 2HG ARG 21 10.478 -0.746 3.378
137 1HD ARG 21 1HD ARG 21 12.586 -1.266 4.338
138 2HD ARG 21 2HD ARG 21 12.965 -0.287 2.931
139 1HH1 ARG 21 2HH2 ARG 21 12.285 -0.841 6.478
140 2HH1 ARG 21 1HH2 ARG 21 13.069 0.019 7.897
141 1HH2 ARG 21 1HH1 ARG 21 14.603 2.371 5.895
142 2HH2 ARG 21 2HH1 ARG 21 14.299 1.723 7.585
143 H GLY 22 H GLY 22 6.958 1.390 3.092
144 1HA GLY 22 1HA GLY 22 5.939 0.161 0.666
145 2HA GLY 22 2HA GLY 22 6.518 -1.220 1.590
146 H ARG 23 H ARG 23 4.965 0.918 3.671
147 HA ARG 23 HA ARG 23 2.618 -1.016 3.838
148 1HB ARG 23 1HB ARG 23 3.994 0.841 5.820
149 2HB ARG 23 2HB ARG 23 2.316 0.345 6.080
150 1HG ARG 23 1HG ARG 23 3.898 -0.821 7.435
151 2HG ARG 23 2HG ARG 23 2.822 -1.836 6.501
152 1HD ARG 23 1HD ARG 23 4.967 -2.945 6.463
153 2HD ARG 23 2HD ARG 23 4.713 -2.304 4.850
154 1HH1 ARG 23 2HH2 ARG 23 6.245 -2.557 8.085
155 2HH1 ARG 23 1HH2 ARG 23 7.897 -1.920 8.565
156 1HH2 ARG 23 1HH1 ARG 23 8.205 0.026 5.737
157 2HH2 ARG 23 2HH1 ARG 23 8.936 -0.551 7.318
158 HA PRO 24 HA PRO 24 0.001 2.644 2.442
159 1HB PRO 24 1HB PRO 24 -2.316 1.253 1.939
160 2HB PRO 24 2HB PRO 24 -0.905 1.135 0.880
161 1HG PRO 24 1HG PRO 24 -1.799 -0.845 3.022
162 2HG PRO 24 2HG PRO 24 -1.250 -1.189 1.370
163 1HD PRO 24 1HD PRO 24 0.393 -1.324 3.656
164 2HD PRO 24 2HD PRO 24 1.030 -1.060 2.006
165 H CYS 25 H CYS 25 -2.346 3.227 3.207
166 HA CYS 25 HA CYS 25 -2.647 2.709 6.225
167 1HB CYS 25 1HB CYS 25 -2.077 5.327 4.903
168 2HB CYS 25 2HB CYS 25 -3.522 5.368 5.955
169 H ARG 26 H ARG 26 -4.619 2.806 7.005
170 HA ARG 26 HA ARG 26 -7.058 3.241 5.304
171 1HB ARG 26 1HB ARG 26 -6.672 0.710 5.338
172 2HB ARG 26 2HB ARG 26 -6.798 0.732 7.094
173 1HG ARG 26 1HG ARG 26 -9.167 1.632 6.890
174 2HG ARG 26 2HG ARG 26 -9.015 1.616 5.129
175 1HD ARG 26 1HD ARG 26 -8.646 -0.892 5.176
176 2HD ARG 26 2HD ARG 26 -8.765 -0.879 6.945
177 1HH1 ARG 26 2HH2 ARG 26 -9.671 -2.855 6.082
178 2HH1 ARG 26 1HH2 ARG 26 -11.321 -3.655 6.003
179 1HH2 ARG 26 1HH1 ARG 26 -13.009 -0.661 5.775
180 2HH2 ARG 26 2HH1 ARG 26 -13.082 -2.494 5.840
181 H CYS 27 H CYS 27 -8.278 4.627 6.486
182 HA CYS 27 HA CYS 27 -7.055 5.632 8.867
183 1HB CYS 27 1HB CYS 27 -9.816 6.427 7.750
184 2HB CYS 27 2HB CYS 27 -8.914 7.374 8.885
185 H SER 28 H SER 28 -8.294 6.282 10.817
186 HA SER 28 HA SER 28 -9.441 4.126 12.470
187 1HB SER 28 1HB SER 28 -9.230 7.229 12.712
188 2HB SER 28 2HB SER 28 -9.861 6.261 14.017
189 HG SER 28 HG SER 28 -7.334 5.898 12.829
190 H MET 29 H MET 29 -11.396 4.827 13.810
191 HA MET 29 HA MET 29 -13.770 3.996 12.235
192 1HB MET 29 1HB MET 29 -13.298 4.845 15.192
193 2HB MET 29 2HB MET 29 -14.897 4.536 14.592
194 1HG MET 29 1HG MET 29 -14.175 2.502 15.638
195 2HG MET 29 2HG MET 29 -14.200 2.174 13.897
196 1HE MET 29 3HE MET 29 -12.692 0.234 15.811
197 2HE MET 29 2HE MET 29 -12.558 0.069 14.032
198 3HE MET 29 1HE MET 29 -11.086 0.050 15.046
199 H ILE 30 H ILE 30 -12.685 7.091 13.383
200 HA ILE 30 HA ILE 30 -15.310 8.553 12.872
201 HB ILE 30 HB ILE 30 -12.477 9.721 13.479
202 1HG1 ILE 30 1HG1 ILE 30 -13.171 8.462 15.448
203 2HG1 ILE 30 2HG1 ILE 30 -13.307 10.162 15.780
204 1HG2 ILE 30 1HG2 ILE 30 -15.288 11.064 13.474
205 2HG2 ILE 30 2HG2 ILE 30 -13.788 11.832 14.053
206 3HG2 ILE 30 3HG2 ILE 30 -13.955 11.404 12.348
207 1HD1 ILE 30 1HD1 ILE 30 -15.847 10.010 15.547
208 2HD1 ILE 30 2HD1 ILE 30 -15.687 8.262 15.225
209 3HD1 ILE 30 3HD1 ILE 30 -15.195 8.928 16.797
210 H GLY 31 H GLY 31 -12.035 8.769 11.502
211 1HA GLY 31 1HA GLY 31 -12.263 8.433 8.727
212 2HA GLY 31 2HA GLY 31 -13.119 9.965 8.912
213 H THR 32 H THR 32 -11.689 11.222 10.788
214 HA THR 32 HA THR 32 -9.003 11.880 9.459
215 HB THR 32 HB THR 32 -8.862 13.767 11.124
216 HG1 THR 32 HG1 THR 32 -11.563 13.022 11.665
217 1HG2 THR 32 2HG2 THR 32 -9.845 14.219 8.827
218 2HG2 THR 32 3HG2 THR 32 -11.478 13.855 9.444
219 3HG2 THR 32 1HG2 THR 32 -10.580 15.259 10.067
220 H ASN 33 H ASN 33 -7.161 11.909 10.741
221 HA ASN 33 HA ASN 33 -5.481 11.041 12.190
222 1HB ASN 33 1HB ASN 33 -7.859 10.323 14.094
223 2HB ASN 33 2HB ASN 33 -6.249 9.825 14.402
224 1HD2 ASN 33 1HD2 ASN 33 -7.226 13.729 15.165
225 2HD2 ASN 33 2HD2 ASN 33 -8.387 12.574 14.337
226 H CYS 34 H CYS 34 -5.732 9.833 10.090
227 HA CYS 34 HA CYS 34 -6.758 7.117 10.014
228 1HB CYS 34 1HB CYS 34 -4.416 8.217 8.363
229 2HB CYS 34 2HB CYS 34 -5.349 6.799 7.958
230 H GLU 35 H GLU 35 -5.402 5.108 9.687
231 HA GLU 35 HA GLU 35 -2.719 5.166 11.205
232 1HB GLU 35 1HB GLU 35 -4.292 2.622 11.654
233 2HB GLU 35 2HB GLU 35 -3.053 3.361 12.579
234 1HG GLU 35 1HG GLU 35 -4.563 5.084 13.538
235 2HG GLU 35 2HG GLU 35 -5.926 4.416 12.640
236 HE2 GLU 35 HE2 GLU 35 -6.476 1.760 14.745
237 H CYS 36 H CYS 36 -1.679 3.041 11.016
238 HA CYS 36 HA CYS 36 -1.093 2.647 8.044
239 1HB CYS 36 1HB CYS 36 0.520 1.745 10.577
240 2HB CYS 36 2HB CYS 36 1.098 1.456 9.008
241 H THR 37 H THR 37 -0.616 0.491 7.241
242 HA THR 37 HA THR 37 -2.140 -1.811 8.555
243 HB THR 37 HB THR 37 -3.135 -2.398 6.243
244 HG1 THR 37 HG1 THR 37 -3.376 -0.608 4.844
245 1HG2 THR 37 2HG2 THR 37 -4.551 -1.341 8.078
246 2HG2 THR 37 3HG2 THR 37 -4.158 0.277 7.437
247 3HG2 THR 37 1HG2 THR 37 -5.081 -0.879 6.447
248 HA PRO 38 HA PRO 38 1.465 -4.169 6.990
249 1HB PRO 38 1HB PRO 38 0.344 -6.760 6.986
250 2HB PRO 38 2HB PRO 38 0.821 -5.887 8.442
251 1HG PRO 38 1HG PRO 38 -1.971 -6.101 7.211
252 2HG PRO 38 2HG PRO 38 -1.498 -6.374 8.909
253 1HD PRO 38 1HD PRO 38 -2.548 -3.966 8.122
254 2HD PRO 38 2HD PRO 38 -1.248 -4.003 9.318
255 H ARG 39 H ARG 39 2.175 -5.553 5.285
256 HA ARG 39 HA ARG 39 1.388 -4.330 2.730
257 1HB ARG 39 1HB ARG 39 3.384 -6.649 3.261
258 2HB ARG 39 2HB ARG 39 3.195 -5.803 1.731
259 1HG ARG 39 1HG ARG 39 3.798 -3.613 2.905
260 2HG ARG 39 2HG ARG 39 4.143 -4.547 4.363
261 1HD ARG 39 1HD ARG 39 5.893 -5.883 3.087
262 2HD ARG 39 2HD ARG 39 5.560 -4.914 1.636
263 1HH1 ARG 39 2HH2 ARG 39 7.881 -5.502 1.874
264 2HH1 ARG 39 1HH2 ARG 39 9.463 -4.614 2.145
265 1HH2 ARG 39 1HH1 ARG 39 8.004 -2.136 4.039
266 2HH2 ARG 39 2HH1 ARG 39 9.526 -2.834 3.289
267 H LEU 40 H LEU 40 -0.024 -4.961 1.345
268 HA LEU 40 HA LEU 40 -0.676 -7.931 0.884
269 1HB LEU 40 1HB LEU 40 -2.891 -7.459 0.261
270 2HB LEU 40 2HB LEU 40 -2.660 -6.850 1.872
271 HG LEU 40 HG LEU 40 -2.898 -5.109 -0.667
272 1HD1 LEU 40 3HD1 LEU 40 -5.001 -6.327 -0.148
273 2HD1 LEU 40 1HD1 LEU 40 -4.990 -5.691 1.517
274 3HD1 LEU 40 2HD1 LEU 40 -5.189 -4.587 0.132
275 1HD2 LEU 40 1HD2 LEU 40 -2.828 -4.220 2.298
276 2HD2 LEU 40 2HD2 LEU 40 -1.643 -3.802 1.034
277 3HD2 LEU 40 3HD2 LEU 40 -3.289 -3.174 0.930
278 H ILE 41 H ILE 41 0.340 -8.450 -0.891
279 HA ILE 41 HA ILE 41 1.263 -6.344 -2.874
280 HB ILE 41 HB ILE 41 2.016 -9.357 -2.738
281 1HG1 ILE 41 1HG1 ILE 41 2.822 -8.347 -0.676
282 2HG1 ILE 41 2HG1 ILE 41 4.172 -8.612 -1.740
283 1HG2 ILE 41 3HG2 ILE 41 3.270 -6.959 -4.285
284 2HG2 ILE 41 1HG2 ILE 41 3.968 -8.595 -4.193
285 3HG2 ILE 41 2HG2 ILE 41 2.420 -8.342 -5.006
286 1HD1 ILE 41 2HD1 ILE 41 4.239 -6.107 -2.269
287 2HD1 ILE 41 3HD1 ILE 41 2.876 -5.865 -1.143
288 3HD1 ILE 41 1HD1 ILE 41 4.433 -6.467 -0.539
289 H MET 42 H MET 42 -0.256 -5.862 -4.279
290 HA MET 42 HA MET 42 -1.868 -8.057 -5.741
291 1HB MET 42 1HB MET 42 -2.840 -5.231 -4.949
292 2HB MET 42 2HB MET 42 -3.737 -6.406 -5.898
293 1HG MET 42 1HG MET 42 -2.939 -6.707 -2.940
294 2HG MET 42 2HG MET 42 -4.559 -6.389 -3.573
295 1HE MET 42 3HE MET 42 -4.664 -8.619 -1.672
296 2HE MET 42 2HE MET 42 -4.154 -10.261 -2.170
297 3HE MET 42 1HE MET 42 -2.922 -9.023 -1.788
298 H GLU 43 H GLU 43 -0.366 -8.139 -7.388
299 HA GLU 43 HA GLU 43 -0.418 -5.887 -9.410
300 1HB GLU 43 1HB GLU 43 1.517 -5.423 -7.819
301 2HB GLU 43 2HB GLU 43 2.275 -6.950 -8.264
302 1HG GLU 43 1HG GLU 43 2.459 -6.086 -10.668
303 2HG GLU 43 2HG GLU 43 1.620 -4.617 -10.188
304 HE2 GLU 43 HE2 GLU 43 5.532 -5.163 -9.423
305 H GLY 44 H GLY 44 -0.138 -6.554 -11.365
306 1HA GLY 44 1HA GLY 44 0.281 -7.935 -13.291
307 2HA GLY 44 2HA GLY 44 1.044 -9.120 -12.259
308 H LEU 45 H LEU 45 -2.226 -7.846 -12.934
309 HA LEU 45 HA LEU 45 -3.197 -10.490 -13.882
310 1HB LEU 45 1HB LEU 45 -3.463 -10.576 -11.279
311 2HB LEU 45 2HB LEU 45 -4.628 -9.296 -11.390
312 HG LEU 45 HG LEU 45 -5.654 -11.467 -11.083
313 1HD1 LEU 45 3HD1 LEU 45 -6.982 -9.821 -12.445
314 2HD1 LEU 45 1HD1 LEU 45 -6.403 -10.603 -13.937
315 3HD1 LEU 45 2HD1 LEU 45 -7.404 -11.513 -12.784
316 1HD2 LEU 45 2HD2 LEU 45 -3.932 -12.943 -12.124
317 2HD2 LEU 45 3HD2 LEU 45 -5.569 -13.353 -12.673
318 3HD2 LEU 45 1HD2 LEU 45 -4.474 -12.457 -13.750
319 H SER 46 H SER 46 -4.833 -7.634 -12.517
320 HA SER 46 HA SER 46 -5.474 -6.617 -15.363
321 1HB SER 46 1HB SER 46 -7.568 -7.136 -14.061
322 2HB SER 46 2HB SER 46 -7.063 -6.035 -12.773
323 HG SER 46 HG SER 46 -6.998 -4.374 -14.359
324 H PHE 47 H PHE 47 -3.380 -5.788 -15.436
325 HA PHE 47 HA PHE 47 -2.806 -3.245 -13.878
326 1HB PHE 47 1HB PHE 47 -1.966 -5.202 -12.458
327 2HB PHE 47 2HB PHE 47 -0.969 -5.751 -13.776
328 HD1 PHE 47 HD1 PHE 47 -1.546 -2.794 -11.479
329 HD2 PHE 47 HD2 PHE 47 1.279 -4.832 -14.008
330 HE1 PHE 47 HE1 PHE 47 0.248 -1.300 -10.698
331 HE2 PHE 47 HE2 PHE 47 3.058 -3.330 -13.214
332 HZ PHE 47 HZ PHE 47 2.548 -1.560 -11.567
333 H ALA 48 H ALA 48 -1.864 -1.844 -15.141
334 HA ALA 48 HA ALA 48 -0.620 -2.559 -17.831
335 1HB ALA 48 1HB ALA 48 -1.107 0.198 -16.486
336 2HB ALA 48 2HB ALA 48 -0.491 -0.069 -18.134
337 3HB ALA 48 3HB ALA 48 -2.142 -0.563 -17.720
338 HXT ALA 48 HO ALA 48 1.959 -1.028 -15.032
No H/Q in entry = 338
Start of MODEL 3
Raw file had 348 H/Q atoms
Start of MODEL 3
1 1H GLU 1 3H GLU 1 3.584 11.208 11.893
2 2H GLU 1 1H GLU 1 4.530 10.276 10.911
3 3H GLU 1 2H GLU 1 3.233 9.607 11.684
4 HA GLU 1 HA GLU 1 4.268 9.974 13.870
5 1HB GLU 1 1HB GLU 1 4.522 7.840 12.482
6 2HB GLU 1 2HB GLU 1 6.033 8.422 11.824
7 1HG GLU 1 1HG GLU 1 5.451 7.884 14.821
8 2HG GLU 1 2HG GLU 1 6.102 6.691 13.715
9 HE1 GLU 1 HE2 GLU 1 9.281 8.208 13.421
10 H ASP 2 H ASP 2 7.110 10.127 11.734
11 HA ASP 2 HA ASP 2 7.647 13.032 12.394
12 1HB ASP 2 1HB ASP 2 9.488 10.763 13.438
13 2HB ASP 2 2HB ASP 2 10.108 12.367 13.118
14 HD1 ASP 2 HD2 ASP 2 9.134 14.090 14.081
15 H ASN 3 H ASN 3 9.705 10.333 11.271
16 HA ASN 3 HA ASN 3 10.323 11.805 8.670
17 1HB ASN 3 1HB ASN 3 11.637 9.363 9.996
18 2HB ASN 3 2HB ASN 3 12.079 9.984 8.426
19 1HD2 ASN 3 1HD2 ASN 3 13.704 11.827 11.644
20 2HD2 ASN 3 2HD2 ASN 3 12.601 10.366 11.777
21 H CYS 4 H CYS 4 9.952 8.710 9.368
22 HA CYS 4 HA CYS 4 7.705 8.135 7.268
23 1HB CYS 4 1HB CYS 4 8.396 6.000 7.010
24 2HB CYS 4 2HB CYS 4 9.532 6.955 6.224
25 H ILE 5 H ILE 5 6.536 6.030 7.743
26 HA ILE 5 HA ILE 5 5.896 5.947 10.809
27 HB ILE 5 HB ILE 5 3.781 5.152 8.703
28 1HG1 ILE 5 1HG1 ILE 5 4.015 7.723 10.278
29 2HG1 ILE 5 2HG1 ILE 5 4.379 7.593 8.577
30 1HG2 ILE 5 2HG2 ILE 5 3.598 4.017 10.989
31 2HG2 ILE 5 3HG2 ILE 5 3.449 5.634 11.731
32 3HG2 ILE 5 1HG2 ILE 5 2.251 5.035 10.576
33 1HD1 ILE 5 3HD1 ILE 5 1.669 6.983 9.777
34 2HD1 ILE 5 1HD1 ILE 5 2.121 8.482 8.958
35 3HD1 ILE 5 2HD1 ILE 5 2.093 6.946 8.044
36 H ALA 6 H ALA 6 7.273 4.272 11.313
37 HA ALA 6 HA ALA 6 7.715 2.045 9.308
38 1HB ALA 6 2HB ALA 6 9.651 3.038 10.679
39 2HB ALA 6 3HB ALA 6 8.902 2.449 12.189
40 3HB ALA 6 1HB ALA 6 9.515 1.298 10.979
41 H GLU 7 H GLU 7 5.338 2.418 11.213
42 HA GLU 7 HA GLU 7 4.916 -0.500 12.047
43 1HB GLU 7 1HB GLU 7 4.605 2.217 13.519
44 2HB GLU 7 2HB GLU 7 3.436 1.043 13.937
45 1HG GLU 7 1HG GLU 7 5.072 0.801 15.584
46 2HG GLU 7 2HG GLU 7 5.269 -0.619 14.575
47 HE1 GLU 7 HE2 GLU 7 8.074 2.359 14.573
48 H ASP 8 H ASP 8 3.249 -1.540 12.326
49 HA ASP 8 HA ASP 8 0.754 -1.078 10.705
50 1HB ASP 8 1HB ASP 8 1.475 -3.316 11.114
51 2HB ASP 8 2HB ASP 8 1.327 -3.103 12.901
52 HD2 ASP 8 HD2 ASP 8 0.186 -4.893 12.776
53 H TYR 9 H TYR 9 -0.824 -0.459 11.505
54 HA TYR 9 HA TYR 9 -2.327 1.292 12.471
55 1HB TYR 9 1HB TYR 9 -1.569 -0.136 15.123
56 2HB TYR 9 2HB TYR 9 -3.032 0.755 14.808
57 HD1 TYR 9 HD2 TYR 9 -4.178 -0.277 12.297
58 HD2 TYR 9 HD1 TYR 9 -1.931 -2.481 15.232
59 HE1 TYR 9 HE2 TYR 9 -5.206 -2.368 11.534
60 HE2 TYR 9 HE1 TYR 9 -2.994 -4.554 14.476
61 HH TYR 9 HH TYR 9 -5.343 -4.559 11.800
62 H GLY 10 H GLY 10 0.634 2.003 12.364
63 1HA GLY 10 1HA GLY 10 1.053 4.072 14.509
64 2HA GLY 10 2HA GLY 10 2.012 3.977 13.125
65 H LYS 11 H LYS 11 0.776 6.032 14.169
66 HA LYS 11 HA LYS 11 -1.763 6.743 12.695
67 1HB LYS 11 1HB LYS 11 -1.345 7.665 14.921
68 2HB LYS 11 2HB LYS 11 -0.100 8.768 14.273
69 1HG LYS 11 1HG LYS 11 -1.852 9.904 12.903
70 2HG LYS 11 2HG LYS 11 -3.074 8.756 13.416
71 1HD LYS 11 1HD LYS 11 -1.591 10.669 15.336
72 2HD LYS 11 2HD LYS 11 -3.101 11.055 14.520
73 1HE LYS 11 1HE LYS 11 -4.242 9.075 15.645
74 2HE LYS 11 2HE LYS 11 -2.744 8.720 16.519
75 1HZ LYS 11 1HZ LYS 11 -4.270 10.043 17.819
76 2HZ LYS 11 2HZ LYS 11 -4.307 11.235 16.701
77 H CYS 12 H CYS 12 -1.933 7.716 11.237
78 HA CYS 12 HA CYS 12 0.113 9.088 9.365
79 1HB CYS 12 1HB CYS 12 -0.668 7.716 7.367
80 2HB CYS 12 2HB CYS 12 -0.024 6.671 8.601
81 H THR 13 H THR 13 -0.996 9.838 7.348
82 HA THR 13 HA THR 13 -3.953 10.497 7.603
83 HB THR 13 HB THR 13 -3.986 12.757 7.649
84 HG1 THR 13 HG1 THR 13 -2.424 14.122 6.716
85 1HG2 THR 13 2HG2 THR 13 -2.414 12.444 9.683
86 2HG2 THR 13 3HG2 THR 13 -1.008 12.671 8.604
87 3HG2 THR 13 1HG2 THR 13 -2.138 14.008 8.877
88 H TRP 14 H TRP 14 -4.846 10.958 5.703
89 HA TRP 14 HA TRP 14 -3.422 10.086 3.114
90 1HB TRP 14 1HB TRP 14 -6.385 10.784 3.625
91 2HB TRP 14 2HB TRP 14 -5.715 10.417 2.049
92 HD1 TRP 14 HD1 TRP 14 -3.786 7.813 3.301
93 HE1 TRP 14 HE1 TRP 14 -4.952 5.485 3.630
94 HE3 TRP 14 HE3 TRP 14 -8.591 9.572 3.356
95 HZ2 TRP 14 HZ2 TRP 14 -7.678 4.672 3.850
96 HZ3 TRP 14 HZ3 TRP 14 -10.440 7.951 3.610
97 HH2 TRP 14 HH2 TRP 14 -9.992 5.542 3.853
98 H GLY 15 H GLY 15 -2.089 11.599 2.710
99 1HA GLY 15 1HA GLY 15 -1.466 13.794 1.614
100 2HA GLY 15 2HA GLY 15 -2.831 14.573 2.418
101 H GLY 16 H GLY 16 -0.065 12.535 3.243
102 1HA GLY 16 1HA GLY 16 1.081 14.172 5.564
103 2HA GLY 16 2HA GLY 16 0.047 12.856 6.008
104 H THR 17 H THR 17 1.916 12.178 6.965
105 HA THR 17 HA THR 17 3.944 10.639 5.298
106 HB THR 17 HB THR 17 3.607 9.789 8.241
107 HG1 THR 17 HG1 THR 17 4.958 11.556 8.788
108 1HG2 THR 17 2HG2 THR 17 5.357 8.703 6.794
109 2HG2 THR 17 3HG2 THR 17 6.111 10.268 6.475
110 3HG2 THR 17 1HG2 THR 17 6.070 9.601 8.125
111 H LYS 18 H LYS 18 3.879 8.569 4.935
112 HA LYS 18 HA LYS 18 1.587 6.679 5.777
113 1HB LYS 18 1HB LYS 18 2.918 6.267 3.103
114 2HB LYS 18 2HB LYS 18 1.486 5.569 3.758
115 1HG LYS 18 1HG LYS 18 0.263 7.799 3.620
116 2HG LYS 18 2HG LYS 18 1.627 8.461 2.735
117 1HD LYS 18 1HD LYS 18 -0.089 6.043 1.879
118 2HD LYS 18 2HD LYS 18 -0.289 7.672 1.277
119 1HE LYS 18 1HE LYS 18 2.231 5.930 0.817
120 2HE LYS 18 2HE LYS 18 0.907 6.130 -0.323
121 1HZ LYS 18 1HZ LYS 18 1.394 8.475 -0.469
122 2HZ LYS 18 2HZ LYS 18 2.704 7.583 -0.866
123 H CYS 19 H CYS 19 2.503 4.539 5.112
124 HA CYS 19 HA CYS 19 4.591 4.269 7.222
125 1HB CYS 19 1HB CYS 19 2.759 2.230 5.980
126 2HB CYS 19 2HB CYS 19 4.258 1.592 6.678
127 H CYS 20 H CYS 20 6.356 3.489 7.189
128 HA CYS 20 HA CYS 20 8.147 4.687 5.763
129 1HB CYS 20 1HB CYS 20 8.395 3.518 8.011
130 2HB CYS 20 2HB CYS 20 8.956 2.054 7.205
131 H ARG 21 H ARG 21 7.596 1.223 5.314
132 HA ARG 21 HA ARG 21 9.603 0.998 2.996
133 1HB ARG 21 1HB ARG 21 8.116 -1.200 4.638
134 2HB ARG 21 2HB ARG 21 9.209 -1.550 3.311
135 1HG ARG 21 1HG ARG 21 11.138 -0.527 4.524
136 2HG ARG 21 2HG ARG 21 10.094 -0.143 5.896
137 1HD ARG 21 1HD ARG 21 9.563 -2.609 6.193
138 2HD ARG 21 2HD ARG 21 10.635 -2.998 4.835
139 1HH1 ARG 21 2HH2 ARG 21 10.811 -4.628 6.701
140 2HH1 ARG 21 1HH2 ARG 21 12.108 -5.142 7.892
141 1HH2 ARG 21 1HH1 ARG 21 13.552 -2.010 7.996
142 2HH2 ARG 21 2HH1 ARG 21 13.563 -3.750 8.579
143 H GLY 22 H GLY 22 7.211 2.223 2.810
144 1HA GLY 22 1HA GLY 22 5.760 2.790 0.845
145 2HA GLY 22 2HA GLY 22 6.374 1.376 0.033
146 H ARG 23 H ARG 23 4.637 1.960 2.922
147 HA ARG 23 HA ARG 23 2.588 -0.237 2.285
148 1HB ARG 23 1HB ARG 23 3.917 0.727 4.823
149 2HB ARG 23 2HB ARG 23 2.379 -0.082 4.956
150 1HG ARG 23 1HG ARG 23 5.074 -1.132 4.032
151 2HG ARG 23 2HG ARG 23 4.090 -1.663 5.376
152 1HD ARG 23 1HD ARG 23 3.642 -2.249 2.379
153 2HD ARG 23 2HD ARG 23 4.094 -3.396 3.629
154 1HH1 ARG 23 2HH2 ARG 23 2.632 -4.381 1.879
155 2HH1 ARG 23 1HH2 ARG 23 0.929 -5.057 1.765
156 1HH2 ARG 23 1HH1 ARG 23 -0.283 -3.003 4.252
157 2HH2 ARG 23 2HH1 ARG 23 -0.614 -4.324 3.023
158 HA PRO 24 HA PRO 24 -0.541 3.189 2.180
159 1HB PRO 24 1HB PRO 24 -2.383 0.716 2.163
160 2HB PRO 24 2HB PRO 24 -2.457 2.152 1.124
161 1HG PRO 24 1HG PRO 24 -1.455 -0.168 0.141
162 2HG PRO 24 2HG PRO 24 -0.622 1.361 -0.239
163 1HD PRO 24 1HD PRO 24 0.151 -0.715 1.890
164 2HD PRO 24 2HD PRO 24 1.173 0.163 0.712
165 H CYS 25 H CYS 25 -2.716 3.506 3.220
166 HA CYS 25 HA CYS 25 -2.720 2.661 6.170
167 1HB CYS 25 1HB CYS 25 -2.439 5.397 5.023
168 2HB CYS 25 2HB CYS 25 -3.844 5.269 6.125
169 H ARG 26 H ARG 26 -4.664 2.673 7.147
170 HA ARG 26 HA ARG 26 -7.228 2.859 5.572
171 1HB ARG 26 1HB ARG 26 -6.725 0.384 5.695
172 2HB ARG 26 2HB ARG 26 -6.579 0.480 7.438
173 1HG ARG 26 1HG ARG 26 -8.730 -0.457 6.899
174 2HG ARG 26 2HG ARG 26 -9.003 1.116 7.636
175 1HD ARG 26 1HD ARG 26 -9.399 2.127 5.336
176 2HD ARG 26 2HD ARG 26 -9.091 0.548 4.589
177 1HH1 ARG 26 2HH2 ARG 26 -10.770 1.927 3.497
178 2HH1 ARG 26 1HH2 ARG 26 -12.567 1.795 3.154
179 1HH2 ARG 26 1HH1 ARG 26 -13.220 0.054 6.054
180 2HH2 ARG 26 2HH1 ARG 26 -13.860 0.804 4.506
181 H CYS 27 H CYS 27 -8.339 4.366 6.672
182 HA CYS 27 HA CYS 27 -7.088 5.509 8.971
183 1HB CYS 27 1HB CYS 27 -9.880 6.215 7.864
184 2HB CYS 27 2HB CYS 27 -8.965 7.227 8.933
185 H SER 28 H SER 28 -8.303 6.255 10.909
186 HA SER 28 HA SER 28 -9.480 4.202 12.688
187 1HB SER 28 1HB SER 28 -9.222 7.308 12.761
188 2HB SER 28 2HB SER 28 -9.877 6.416 14.109
189 HG SER 28 HG SER 28 -7.345 5.957 12.961
190 H MET 29 H MET 29 -11.438 5.040 13.966
191 HA MET 29 HA MET 29 -13.771 4.057 12.427
192 1HB MET 29 1HB MET 29 -13.375 5.156 15.310
193 2HB MET 29 2HB MET 29 -14.953 4.749 14.716
194 1HG MET 29 1HG MET 29 -14.127 2.845 15.978
195 2HG MET 29 2HG MET 29 -14.272 2.374 14.284
196 1HE MET 29 2HE MET 29 -11.924 2.913 17.356
197 2HE MET 29 1HE MET 29 -10.283 2.950 16.644
198 3HE MET 29 3HE MET 29 -11.375 4.349 16.434
199 H ILE 30 H ILE 30 -12.779 7.253 13.377
200 HA ILE 30 HA ILE 30 -15.421 8.611 12.676
201 HB ILE 30 HB ILE 30 -12.640 9.871 13.336
202 1HG1 ILE 30 1HG1 ILE 30 -13.456 8.740 15.346
203 2HG1 ILE 30 2HG1 ILE 30 -13.600 10.460 15.548
204 1HG2 ILE 30 2HG2 ILE 30 -15.455 11.178 13.062
205 2HG2 ILE 30 3HG2 ILE 30 -14.003 12.002 13.687
206 3HG2 ILE 30 1HG2 ILE 30 -14.051 11.459 12.008
207 1HD1 ILE 30 2HD1 ILE 30 -16.123 10.298 15.177
208 2HD1 ILE 30 3HD1 ILE 30 -15.957 8.531 14.993
209 3HD1 ILE 30 1HD1 ILE 30 -15.552 9.308 16.538
210 H GLY 31 H GLY 31 -12.100 8.808 11.415
211 1HA GLY 31 1HA GLY 31 -12.271 8.356 8.636
212 2HA GLY 31 2HA GLY 31 -13.102 9.905 8.761
213 H THR 32 H THR 32 -11.705 11.212 10.610
214 HA THR 32 HA THR 32 -8.993 11.816 9.317
215 HB THR 32 HB THR 32 -8.880 13.739 10.947
216 HG1 THR 32 HG1 THR 32 -11.581 12.981 11.471
217 1HG2 THR 32 2HG2 THR 32 -9.833 14.144 8.631
218 2HG2 THR 32 3HG2 THR 32 -11.473 13.783 9.231
219 3HG2 THR 32 1HG2 THR 32 -10.592 15.202 9.840
220 H ASN 33 H ASN 33 -7.170 11.889 10.615
221 HA ASN 33 HA ASN 33 -5.492 11.056 12.090
222 1HB ASN 33 1HB ASN 33 -7.865 10.331 13.996
223 2HB ASN 33 2HB ASN 33 -6.229 9.940 14.335
224 1HD2 ASN 33 1HD2 ASN 33 -7.443 13.745 15.092
225 2HD2 ASN 33 2HD2 ASN 33 -8.554 12.462 14.393
226 H CYS 34 H CYS 34 -5.792 9.779 9.995
227 HA CYS 34 HA CYS 34 -6.801 7.068 10.026
228 1HB CYS 34 1HB CYS 34 -4.501 8.129 8.301
229 2HB CYS 34 2HB CYS 34 -5.405 6.675 7.965
230 H GLU 35 H GLU 35 -5.464 5.042 9.755
231 HA GLU 35 HA GLU 35 -2.731 5.136 11.179
232 1HB GLU 35 1HB GLU 35 -4.272 2.616 11.803
233 2HB GLU 35 2HB GLU 35 -3.061 3.461 12.680
234 1HG GLU 35 1HG GLU 35 -4.640 5.179 13.535
235 2HG GLU 35 2HG GLU 35 -5.970 4.402 12.677
236 HE1 GLU 35 HE2 GLU 35 -4.431 2.814 16.063
237 H CYS 36 H CYS 36 -1.704 2.950 11.007
238 HA CYS 36 HA CYS 36 -1.331 2.556 7.999
239 1HB CYS 36 1HB CYS 36 0.489 2.152 10.489
240 2HB CYS 36 2HB CYS 36 0.901 1.221 9.143
241 H THR 37 H THR 37 -0.850 0.581 7.070
242 HA THR 37 HA THR 37 -2.348 -1.831 8.197
243 HB THR 37 HB THR 37 -2.198 -2.740 5.844
244 HG1 THR 37 HG1 THR 37 -1.163 -0.143 5.303
245 1HG2 THR 37 2HG2 THR 37 -4.229 -1.385 6.557
246 2HG2 THR 37 3HG2 THR 37 -3.444 0.105 5.978
247 3HG2 THR 37 1HG2 THR 37 -3.878 -1.179 4.825
248 HA PRO 38 HA PRO 38 1.668 -3.943 8.913
249 1HB PRO 38 1HB PRO 38 0.828 -6.603 9.036
250 2HB PRO 38 2HB PRO 38 0.416 -5.416 10.258
251 1HG PRO 38 1HG PRO 38 -1.296 -6.319 7.880
252 2HG PRO 38 2HG PRO 38 -1.780 -6.202 9.591
253 1HD PRO 38 1HD PRO 38 -2.313 -4.142 7.782
254 2HD PRO 38 2HD PRO 38 -1.999 -3.830 9.462
255 H ARG 39 H ARG 39 3.332 -4.838 7.840
256 HA ARG 39 HA ARG 39 3.125 -5.183 4.864
257 1HB ARG 39 1HB ARG 39 5.540 -5.521 4.908
258 2HB ARG 39 2HB ARG 39 5.088 -4.068 5.758
259 1HG ARG 39 1HG ARG 39 5.501 -5.204 7.969
260 2HG ARG 39 2HG ARG 39 5.978 -6.682 7.149
261 1HD ARG 39 1HD ARG 39 7.404 -3.948 6.759
262 2HD ARG 39 2HD ARG 39 7.865 -5.136 7.953
263 1HH1 ARG 39 2HH2 ARG 39 7.364 -3.764 4.704
264 2HH1 ARG 39 1HH2 ARG 39 8.267 -4.167 3.159
265 1HH2 ARG 39 1HH1 ARG 39 9.737 -6.982 4.485
266 2HH2 ARG 39 2HH1 ARG 39 9.517 -5.865 3.046
267 H LEU 40 H LEU 40 2.900 -6.944 3.805
268 HA LEU 40 HA LEU 40 3.114 -9.722 5.092
269 1HB LEU 40 1HB LEU 40 0.823 -10.256 4.351
270 2HB LEU 40 2HB LEU 40 0.853 -8.918 5.447
271 HG LEU 40 HG LEU 40 0.698 -7.412 3.188
272 1HD1 LEU 40 1HD1 LEU 40 -0.598 -10.067 2.263
273 2HD1 LEU 40 2HD1 LEU 40 -0.741 -8.495 1.438
274 3HD1 LEU 40 3HD1 LEU 40 0.828 -9.302 1.529
275 1HD2 LEU 40 2HD2 LEU 40 -0.974 -7.399 5.029
276 2HD2 LEU 40 3HD2 LEU 40 -1.775 -7.371 3.448
277 3HD2 LEU 40 1HD2 LEU 40 -1.728 -8.882 4.394
278 H ILE 41 H ILE 41 3.202 -11.437 3.671
279 HA ILE 41 HA ILE 41 4.653 -10.861 1.098
280 HB ILE 41 HB ILE 41 5.466 -12.639 2.733
281 1HG1 ILE 41 1HG1 ILE 41 5.776 -14.533 1.054
282 2HG1 ILE 41 2HG1 ILE 41 4.610 -13.792 -0.026
283 1HG2 ILE 41 3HG2 ILE 41 3.183 -13.556 3.489
284 2HG2 ILE 41 1HG2 ILE 41 2.985 -14.335 1.900
285 3HG2 ILE 41 2HG2 ILE 41 4.305 -14.823 2.980
286 1HD1 ILE 41 3HD1 ILE 41 7.296 -12.513 0.853
287 2HD1 ILE 41 1HD1 ILE 41 6.992 -13.348 -0.690
288 3HD1 ILE 41 2HD1 ILE 41 6.165 -11.817 -0.340
289 H MET 42 H MET 42 3.827 -10.857 -0.809
290 HA MET 42 HA MET 42 0.964 -11.780 -1.390
291 1HB MET 42 1HB MET 42 1.702 -9.405 -2.003
292 2HB MET 42 2HB MET 42 2.882 -10.071 -3.124
293 1HG MET 42 1HG MET 42 0.990 -11.105 -4.468
294 2HG MET 42 2HG MET 42 -0.184 -10.471 -3.292
295 1HE MET 42 1HE MET 42 -1.467 -9.203 -5.281
296 2HE MET 42 3HE MET 42 -0.661 -8.083 -6.420
297 3HE MET 42 2HE MET 42 -0.274 -9.829 -6.462
298 H GLU 43 H GLU 43 0.606 -13.474 -2.699
299 HA GLU 43 HA GLU 43 2.812 -15.380 -3.295
300 1HB GLU 43 1HB GLU 43 0.548 -16.070 -2.556
301 2HB GLU 43 2HB GLU 43 -0.200 -15.473 -4.040
302 1HG GLU 43 1HG GLU 43 1.113 -17.222 -5.351
303 2HG GLU 43 2HG GLU 43 1.904 -17.743 -3.872
304 HE2 GLU 43 HE2 GLU 43 -1.790 -18.975 -4.811
305 H GLY 44 H GLY 44 3.778 -15.723 -5.028
306 1HA GLY 44 1HA GLY 44 2.979 -14.793 -7.808
307 2HA GLY 44 2HA GLY 44 4.431 -14.008 -7.165
308 H LEU 45 H LEU 45 3.194 -16.753 -8.602
309 HA LEU 45 HA LEU 45 4.027 -18.948 -9.210
310 1HB LEU 45 1HB LEU 45 6.256 -18.639 -7.072
311 2HB LEU 45 2HB LEU 45 5.965 -20.054 -8.037
312 HG LEU 45 HG LEU 45 6.774 -17.352 -9.264
313 1HD1 LEU 45 3HD1 LEU 45 8.573 -18.203 -7.758
314 2HD1 LEU 45 1HD1 LEU 45 8.562 -19.777 -8.592
315 3HD1 LEU 45 2HD1 LEU 45 9.071 -18.304 -9.457
316 1HD2 LEU 45 3HD2 LEU 45 6.729 -20.180 -10.522
317 2HD2 LEU 45 1HD2 LEU 45 5.631 -18.837 -10.927
318 3HD2 LEU 45 2HD2 LEU 45 7.357 -18.705 -11.299
319 H SER 46 H SER 46 2.844 -20.530 -8.329
320 HA SER 46 HA SER 46 1.185 -19.986 -5.993
321 1HB SER 46 1HB SER 46 0.146 -22.205 -6.469
322 2HB SER 46 2HB SER 46 0.350 -21.271 -7.942
323 HG SER 46 HG SER 46 2.249 -22.486 -8.359
324 H PHE 47 H PHE 47 1.679 -20.179 -3.980
325 HA PHE 47 HA PHE 47 3.835 -22.131 -2.986
326 1HB PHE 47 1HB PHE 47 2.770 -19.561 -1.655
327 2HB PHE 47 2HB PHE 47 4.062 -20.567 -1.056
328 HD1 PHE 47 HD1 PHE 47 5.890 -21.014 -3.373
329 HD2 PHE 47 HD2 PHE 47 3.703 -17.478 -2.246
330 HE1 PHE 47 HE1 PHE 47 7.521 -19.611 -4.557
331 HE2 PHE 47 HE2 PHE 47 5.349 -16.097 -3.434
332 HZ PHE 47 HZ PHE 47 7.257 -17.156 -4.593
333 H ALA 48 H ALA 48 0.937 -20.592 -1.570
334 HA ALA 48 HA ALA 48 0.236 -23.161 -0.061
335 1HB ALA 48 3HB ALA 48 -1.039 -20.332 0.070
336 2HB ALA 48 1HB ALA 48 -1.461 -21.719 1.103
337 3HB ALA 48 2HB ALA 48 0.155 -20.998 1.212
338 HXT ALA 48 HO ALA 48 -2.564 -21.905 -2.779
No H/Q in entry = 338
Start of MODEL 4
Raw file had 348 H/Q atoms
Start of MODEL 4
1 1H GLU 1 1H GLU 1 11.740 3.774 9.097
2 2H GLU 1 2H GLU 1 13.312 3.264 9.109
3 3H GLU 1 3H GLU 1 12.205 2.552 10.108
4 HA GLU 1 HA GLU 1 11.902 4.595 11.376
5 1HB GLU 1 1HB GLU 1 14.854 3.668 11.034
6 2HB GLU 1 2HB GLU 1 14.313 4.746 12.311
7 1HG GLU 1 1HG GLU 1 12.696 2.952 13.139
8 2HG GLU 1 2HG GLU 1 13.362 1.837 11.955
9 HE1 GLU 1 HE2 GLU 1 16.526 1.601 13.542
10 H ASP 2 H ASP 2 12.347 6.690 11.665
11 HA ASP 2 HA ASP 2 13.001 8.926 11.404
12 1HB ASP 2 1HB ASP 2 15.361 7.853 11.123
13 2HB ASP 2 2HB ASP 2 15.162 7.932 9.384
14 HD2 ASP 2 HD2 ASP 2 16.186 9.426 8.642
15 H ASN 3 H ASN 3 11.635 10.153 10.453
16 HA ASN 3 HA ASN 3 10.367 11.433 8.933
17 1HB ASN 3 1HB ASN 3 12.316 10.325 6.820
18 2HB ASN 3 2HB ASN 3 11.263 11.680 6.510
19 1HD2 ASN 3 1HD2 ASN 3 13.331 14.105 8.258
20 2HD2 ASN 3 2HD2 ASN 3 11.592 13.676 7.862
21 H CYS 4 H CYS 4 10.062 8.597 9.181
22 HA CYS 4 HA CYS 4 7.729 8.117 7.167
23 1HB CYS 4 1HB CYS 4 8.350 5.938 6.965
24 2HB CYS 4 2HB CYS 4 9.498 6.869 6.133
25 H ILE 5 H ILE 5 6.567 6.020 7.716
26 HA ILE 5 HA ILE 5 5.959 5.979 10.789
27 HB ILE 5 HB ILE 5 3.799 5.226 8.699
28 1HG1 ILE 5 1HG1 ILE 5 4.069 7.729 10.372
29 2HG1 ILE 5 2HG1 ILE 5 4.383 7.645 8.650
30 1HG2 ILE 5 2HG2 ILE 5 3.600 3.980 10.880
31 2HG2 ILE 5 3HG2 ILE 5 3.551 5.527 11.767
32 3HG2 ILE 5 1HG2 ILE 5 2.282 5.074 10.620
33 1HD1 ILE 5 2HD1 ILE 5 2.056 7.012 8.188
34 2HD1 ILE 5 3HD1 ILE 5 1.699 7.086 9.944
35 3HD1 ILE 5 1HD1 ILE 5 2.152 8.556 9.080
36 H ALA 6 H ALA 6 7.364 4.322 11.250
37 HA ALA 6 HA ALA 6 7.742 2.013 9.304
38 1HB ALA 6 2HB ALA 6 9.706 3.009 10.619
39 2HB ALA 6 3HB ALA 6 8.970 2.464 12.153
40 3HB ALA 6 1HB ALA 6 9.531 1.276 10.948
41 H GLU 7 H GLU 7 5.363 2.532 11.024
42 HA GLU 7 HA GLU 7 4.848 -0.084 12.496
43 1HB GLU 7 1HB GLU 7 3.488 2.661 12.608
44 2HB GLU 7 2HB GLU 7 3.036 1.320 13.631
45 1HG GLU 7 1HG GLU 7 5.279 1.320 14.740
46 2HG GLU 7 2HG GLU 7 5.806 2.663 13.729
47 HE1 GLU 7 HE2 GLU 7 3.866 5.098 15.291
48 H ASP 8 H ASP 8 3.047 -0.964 12.810
49 HA ASP 8 HA ASP 8 0.981 -1.038 10.539
50 1HB ASP 8 1HB ASP 8 1.250 -3.264 12.553
51 2HB ASP 8 2HB ASP 8 0.335 -3.242 11.070
52 HD2 ASP 8 HD2 ASP 8 2.917 -4.427 12.342
53 H TYR 9 H TYR 9 -0.617 -0.276 11.238
54 HA TYR 9 HA TYR 9 -2.209 1.234 12.353
55 1HB TYR 9 1HB TYR 9 -1.641 -0.619 14.798
56 2HB TYR 9 2HB TYR 9 -2.964 0.504 14.661
57 HD1 TYR 9 HD1 TYR 9 -4.660 0.230 12.652
58 HD2 TYR 9 HD2 TYR 9 -1.893 -2.860 13.798
59 HE1 TYR 9 HE1 TYR 9 -5.885 -1.392 11.271
60 HE2 TYR 9 HE2 TYR 9 -3.127 -4.469 12.416
61 HH TYR 9 HH TYR 9 -5.987 -3.478 10.532
62 H GLY 10 H GLY 10 0.442 2.097 12.128
63 1HA GLY 10 1HA GLY 10 1.012 3.954 14.477
64 2HA GLY 10 2HA GLY 10 1.884 3.998 13.047
65 H LYS 11 H LYS 11 0.715 5.946 14.286
66 HA LYS 11 HA LYS 11 -1.828 6.854 12.928
67 1HB LYS 11 1HB LYS 11 -1.406 9.180 13.950
68 2HB LYS 11 2HB LYS 11 -1.745 7.825 14.951
69 1HG LYS 11 1HG LYS 11 0.701 7.700 15.648
70 2HG LYS 11 2HG LYS 11 1.096 9.019 14.558
71 1HD LYS 11 1HD LYS 11 -0.846 9.217 16.951
72 2HD LYS 11 2HD LYS 11 0.851 9.627 17.038
73 1HE LYS 11 1HE LYS 11 -1.203 11.096 15.243
74 2HE LYS 11 2HE LYS 11 -0.677 11.626 16.835
75 1HZ LYS 11 1HZ LYS 11 1.571 11.833 16.013
76 2HZ LYS 11 2HZ LYS 11 0.539 12.760 15.149
77 H CYS 12 H CYS 12 -2.018 7.686 11.271
78 HA CYS 12 HA CYS 12 0.121 9.075 9.533
79 1HB CYS 12 1HB CYS 12 -0.546 7.675 7.547
80 2HB CYS 12 2HB CYS 12 -0.046 6.615 8.846
81 H THR 13 H THR 13 -0.939 9.772 7.454
82 HA THR 13 HA THR 13 -3.899 10.492 7.692
83 HB THR 13 HB THR 13 -3.886 12.750 7.682
84 HG1 THR 13 HG1 THR 13 -2.344 14.057 6.653
85 1HG2 THR 13 2HG2 THR 13 -2.268 12.478 9.681
86 2HG2 THR 13 3HG2 THR 13 -0.886 12.648 8.561
87 3HG2 THR 13 1HG2 THR 13 -1.991 14.010 8.819
88 H TRP 14 H TRP 14 -4.815 10.921 5.809
89 HA TRP 14 HA TRP 14 -3.499 9.910 3.221
90 1HB TRP 14 1HB TRP 14 -6.418 10.717 3.830
91 2HB TRP 14 2HB TRP 14 -5.819 10.335 2.232
92 HD1 TRP 14 HD1 TRP 14 -4.311 7.874 4.818
93 HE1 TRP 14 HE1 TRP 14 -5.467 5.526 4.689
94 HE3 TRP 14 HE3 TRP 14 -8.230 9.321 1.866
95 HZ2 TRP 14 HZ2 TRP 14 -7.837 4.577 3.422
96 HZ3 TRP 14 HZ3 TRP 14 -9.930 7.635 1.248
97 HH2 TRP 14 HH2 TRP 14 -9.736 5.302 2.012
98 H GLY 15 H GLY 15 -2.105 11.397 2.747
99 1HA GLY 15 1HA GLY 15 -1.462 13.530 1.554
100 2HA GLY 15 2HA GLY 15 -2.821 14.361 2.311
101 H GLY 16 H GLY 16 -0.027 12.399 3.205
102 1HA GLY 16 1HA GLY 16 1.114 14.140 5.446
103 2HA GLY 16 2HA GLY 16 0.098 12.836 5.962
104 H THR 17 H THR 17 1.941 12.173 6.918
105 HA THR 17 HA THR 17 4.013 10.647 5.299
106 HB THR 17 HB THR 17 3.630 9.769 8.220
107 HG1 THR 17 HG1 THR 17 4.905 12.176 7.339
108 1HG2 THR 17 3HG2 THR 17 5.420 8.720 6.787
109 2HG2 THR 17 1HG2 THR 17 6.173 10.294 6.517
110 3HG2 THR 17 2HG2 THR 17 6.098 9.594 8.150
111 H LYS 18 H LYS 18 3.935 8.648 4.866
112 HA LYS 18 HA LYS 18 1.592 6.723 5.475
113 1HB LYS 18 1HB LYS 18 3.344 6.264 3.072
114 2HB LYS 18 2HB LYS 18 1.792 5.636 3.431
115 1HG LYS 18 1HG LYS 18 2.279 8.521 2.496
116 2HG LYS 18 2HG LYS 18 1.757 7.196 1.485
117 1HD LYS 18 1HD LYS 18 0.130 8.324 3.859
118 2HD LYS 18 2HD LYS 18 -0.072 8.784 2.174
119 1HE LYS 18 1HE LYS 18 -0.648 6.346 1.594
120 2HE LYS 18 2HE LYS 18 -0.559 5.947 3.316
121 1HZ LYS 18 1HZ LYS 18 -2.377 7.962 2.120
122 2HZ LYS 18 2HZ LYS 18 -2.292 7.610 3.714
123 H CYS 19 H CYS 19 2.579 4.573 5.001
124 HA CYS 19 HA CYS 19 4.598 4.323 7.228
125 1HB CYS 19 1HB CYS 19 2.759 2.263 6.007
126 2HB CYS 19 2HB CYS 19 4.249 1.646 6.743
127 H CYS 20 H CYS 20 6.348 3.460 7.191
128 HA CYS 20 HA CYS 20 8.145 4.615 5.717
129 1HB CYS 20 1HB CYS 20 8.391 3.479 7.988
130 2HB CYS 20 2HB CYS 20 8.922 1.995 7.193
131 H ARG 21 H ARG 21 7.402 1.202 5.330
132 HA ARG 21 HA ARG 21 9.515 0.693 3.181
133 1HB ARG 21 1HB ARG 21 7.547 -1.255 4.602
134 2HB ARG 21 2HB ARG 21 8.810 -1.782 3.512
135 1HG ARG 21 1HG ARG 21 10.599 -1.216 5.052
136 2HG ARG 21 2HG ARG 21 9.518 -0.315 6.114
137 1HD ARG 21 1HD ARG 21 8.192 -2.472 6.572
138 2HD ARG 21 2HD ARG 21 9.375 -3.358 5.620
139 1HH1 ARG 21 2HH2 ARG 21 8.193 -1.348 8.385
140 2HH1 ARG 21 1HH2 ARG 21 8.915 -1.264 10.070
141 1HH2 ARG 21 1HH1 ARG 21 11.783 -2.941 9.152
142 2HH2 ARG 21 2HH1 ARG 21 10.820 -2.108 10.473
143 H GLY 22 H GLY 22 7.234 2.131 2.802
144 1HA GLY 22 1HA GLY 22 5.759 2.784 0.871
145 2HA GLY 22 2HA GLY 22 6.330 1.382 0.007
146 H ARG 23 H ARG 23 4.696 1.899 2.984
147 HA ARG 23 HA ARG 23 2.680 -0.316 2.384
148 1HB ARG 23 1HB ARG 23 3.957 0.756 4.912
149 2HB ARG 23 2HB ARG 23 2.520 -0.218 5.069
150 1HG ARG 23 1HG ARG 23 5.194 -1.082 3.794
151 2HG ARG 23 2HG ARG 23 4.748 -1.297 5.466
152 1HD ARG 23 1HD ARG 23 4.417 -3.437 4.432
153 2HD ARG 23 2HD ARG 23 2.834 -2.812 4.849
154 1HH1 ARG 23 2HH2 ARG 23 5.704 -2.769 2.441
155 2HH1 ARG 23 1HH2 ARG 23 5.595 -3.032 0.628
156 1HH2 ARG 23 1HH1 ARG 23 2.151 -3.214 0.651
157 2HH2 ARG 23 2HH1 ARG 23 3.706 -3.269 -0.320
158 HA PRO 24 HA PRO 24 -0.466 2.984 2.465
159 1HB PRO 24 1HB PRO 24 -2.734 1.476 1.974
160 2HB PRO 24 2HB PRO 24 -1.436 1.631 0.781
161 1HG PRO 24 1HG PRO 24 -1.868 -0.663 2.769
162 2HG PRO 24 2HG PRO 24 -1.618 -0.782 1.010
163 1HD PRO 24 1HD PRO 24 0.463 -1.077 2.821
164 2HD PRO 24 2HD PRO 24 0.724 -0.343 1.209
165 H CYS 25 H CYS 25 -2.594 3.465 3.420
166 HA CYS 25 HA CYS 25 -2.745 2.644 6.376
167 1HB CYS 25 1HB CYS 25 -2.477 5.351 5.157
168 2HB CYS 25 2HB CYS 25 -3.908 5.225 6.214
169 H ARG 26 H ARG 26 -4.673 2.583 7.276
170 HA ARG 26 HA ARG 26 -7.225 2.598 5.631
171 1HB ARG 26 1HB ARG 26 -6.480 0.176 6.057
172 2HB ARG 26 2HB ARG 26 -6.588 0.469 7.784
173 1HG ARG 26 1HG ARG 26 -9.083 1.073 7.422
174 2HG ARG 26 2HG ARG 26 -8.908 0.603 5.738
175 1HD ARG 26 1HD ARG 26 -8.500 -1.210 8.211
176 2HD ARG 26 2HD ARG 26 -9.913 -1.192 7.176
177 1HH1 ARG 26 2HH2 ARG 26 -7.331 -2.653 8.543
178 2HH1 ARG 26 1HH2 ARG 26 -6.332 -4.070 7.942
179 1HH2 ARG 26 1HH1 ARG 26 -7.288 -3.649 4.663
180 2HH2 ARG 26 2HH1 ARG 26 -6.312 -4.594 5.896
181 H CYS 27 H CYS 27 -8.391 4.229 6.580
182 HA CYS 27 HA CYS 27 -7.241 5.488 8.892
183 1HB CYS 27 1HB CYS 27 -9.975 6.193 7.677
184 2HB CYS 27 2HB CYS 27 -9.042 7.223 8.703
185 H SER 28 H SER 28 -8.590 6.311 10.728
186 HA SER 28 HA SER 28 -9.562 4.121 12.475
187 1HB SER 28 1HB SER 28 -8.179 6.355 12.977
188 2HB SER 28 2HB SER 28 -9.773 7.144 13.030
189 HG SER 28 HG SER 28 -8.938 4.882 14.519
190 H MET 29 H MET 29 -11.328 5.271 13.939
191 HA MET 29 HA MET 29 -13.795 3.969 12.894
192 1HB MET 29 1HB MET 29 -14.701 4.406 15.136
193 2HB MET 29 2HB MET 29 -13.035 3.870 15.243
194 1HG MET 29 1HG MET 29 -12.315 6.262 15.754
195 2HG MET 29 2HG MET 29 -14.039 6.691 15.837
196 1HE MET 29 3HE MET 29 -13.620 7.525 18.367
197 2HE MET 29 2HE MET 29 -12.926 6.477 19.640
198 3HE MET 29 1HE MET 29 -11.905 7.012 18.272
199 H ILE 30 H ILE 30 -13.061 7.208 13.655
200 HA ILE 30 HA ILE 30 -15.720 8.401 12.719
201 HB ILE 30 HB ILE 30 -14.486 10.718 12.927
202 1HG1 ILE 30 1HG1 ILE 30 -12.270 9.102 14.362
203 2HG1 ILE 30 2HG1 ILE 30 -12.093 9.759 12.749
204 1HG2 ILE 30 3HG2 ILE 30 -15.997 9.669 14.712
205 2HG2 ILE 30 1HG2 ILE 30 -14.575 8.903 15.460
206 3HG2 ILE 30 2HG2 ILE 30 -14.729 10.673 15.421
207 1HD1 ILE 30 3HD1 ILE 30 -12.470 12.107 13.628
208 2HD1 ILE 30 1HD1 ILE 30 -12.515 11.444 15.284
209 3HD1 ILE 30 2HD1 ILE 30 -11.039 11.296 14.306
210 H GLY 31 H GLY 31 -12.424 8.308 11.388
211 1HA GLY 31 1HA GLY 31 -12.507 7.790 8.736
212 2HA GLY 31 2HA GLY 31 -13.494 9.238 8.639
213 H THR 32 H THR 32 -12.032 10.732 10.592
214 HA THR 32 HA THR 32 -9.538 11.511 8.963
215 HB THR 32 HB THR 32 -9.445 13.569 10.387
216 HG1 THR 32 HG1 THR 32 -11.334 14.082 11.582
217 1HG2 THR 32 2HG2 THR 32 -10.657 13.678 8.158
218 2HG2 THR 32 3HG2 THR 32 -12.192 13.252 8.960
219 3HG2 THR 32 1HG2 THR 32 -11.380 14.787 9.344
220 H ASN 33 H ASN 33 -7.626 11.795 10.032
221 HA ASN 33 HA ASN 33 -5.764 11.293 11.424
222 1HB ASN 33 1HB ASN 33 -7.847 10.633 13.651
223 2HB ASN 33 2HB ASN 33 -6.134 10.525 13.850
224 1HD2 ASN 33 1HD2 ASN 33 -5.706 14.097 14.233
225 2HD2 ASN 33 2HD2 ASN 33 -4.883 12.489 13.914
226 H CYS 34 H CYS 34 -6.000 9.776 9.636
227 HA CYS 34 HA CYS 34 -6.892 7.050 9.908
228 1HB CYS 34 1HB CYS 34 -4.577 8.008 8.132
229 2HB CYS 34 2HB CYS 34 -5.512 6.550 7.873
230 H GLU 35 H GLU 35 -5.473 5.053 9.771
231 HA GLU 35 HA GLU 35 -2.686 5.347 11.012
232 1HB GLU 35 1HB GLU 35 -3.523 2.995 12.389
233 2HB GLU 35 2HB GLU 35 -3.081 4.526 13.003
234 1HG GLU 35 1HG GLU 35 -4.969 4.156 14.179
235 2HG GLU 35 2HG GLU 35 -5.559 5.256 12.957
236 HE2 GLU 35 HE2 GLU 35 -6.968 1.513 13.342
237 H CYS 36 H CYS 36 -1.440 3.361 10.932
238 HA CYS 36 HA CYS 36 -1.361 2.523 8.076
239 1HB CYS 36 1HB CYS 36 0.527 2.193 10.533
240 2HB CYS 36 2HB CYS 36 0.838 1.188 9.220
241 H THR 37 H THR 37 -1.113 0.327 7.321
242 HA THR 37 HA THR 37 -2.485 -1.818 9.039
243 HB THR 37 HB THR 37 -4.236 -0.966 7.714
244 HG1 THR 37 HG1 THR 37 -3.198 -3.292 6.481
245 1HG2 THR 37 3HG2 THR 37 -2.529 -1.425 5.128
246 2HG2 THR 37 1HG2 THR 37 -4.263 -1.021 5.145
247 3HG2 THR 37 2HG2 THR 37 -3.086 0.156 5.738
248 HA PRO 38 HA PRO 38 1.012 -4.298 7.422
249 1HB PRO 38 1HB PRO 38 0.263 -6.786 8.436
250 2HB PRO 38 2HB PRO 38 0.900 -5.479 9.429
251 1HG PRO 38 1HG PRO 38 -1.996 -6.324 9.083
252 2HG PRO 38 2HG PRO 38 -1.165 -5.823 10.574
253 1HD PRO 38 1HD PRO 38 -2.804 -4.129 9.031
254 2HD PRO 38 2HD PRO 38 -1.565 -3.499 10.081
255 H ARG 39 H ARG 39 1.304 -4.890 5.416
256 HA ARG 39 HA ARG 39 -0.793 -6.606 3.931
257 1HB ARG 39 1HB ARG 39 0.970 -4.389 2.707
258 2HB ARG 39 2HB ARG 39 -0.094 -5.455 1.821
259 1HG ARG 39 1HG ARG 39 -0.961 -3.312 3.856
260 2HG ARG 39 2HG ARG 39 -1.006 -3.178 2.106
261 1HD ARG 39 1HD ARG 39 -2.717 -5.062 1.985
262 2HD ARG 39 2HD ARG 39 -2.670 -5.202 3.735
263 1HH1 ARG 39 2HH2 ARG 39 -3.141 -3.593 0.570
264 2HH1 ARG 39 1HH2 ARG 39 -4.342 -2.277 0.128
265 1HH2 ARG 39 1HH1 ARG 39 -5.252 -1.694 3.396
266 2HH2 ARG 39 2HH1 ARG 39 -5.454 -1.277 1.621
267 H LEU 40 H LEU 40 2.410 -5.733 2.707
268 HA LEU 40 HA LEU 40 3.610 -8.360 3.715
269 1HB LEU 40 1HB LEU 40 3.694 -7.536 0.724
270 2HB LEU 40 2HB LEU 40 4.732 -8.709 1.486
271 HG LEU 40 HG LEU 40 2.423 -9.907 2.213
272 1HD1 LEU 40 2HD1 LEU 40 0.857 -8.186 1.212
273 2HD1 LEU 40 3HD1 LEU 40 1.584 -8.441 -0.387
274 3HD1 LEU 40 1HD1 LEU 40 0.680 -9.751 0.412
275 1HD2 LEU 40 2HD2 LEU 40 4.215 -10.962 0.838
276 2HD2 LEU 40 3HD2 LEU 40 2.612 -11.357 0.193
277 3HD2 LEU 40 1HD2 LEU 40 3.621 -10.134 -0.622
278 H ILE 41 H ILE 41 5.037 -7.345 5.019
279 HA ILE 41 HA ILE 41 6.324 -4.741 4.393
280 HB ILE 41 HB ILE 41 7.748 -5.217 6.536
281 1HG1 ILE 41 1HG1 ILE 41 5.844 -7.612 6.987
282 2HG1 ILE 41 2HG1 ILE 41 7.480 -7.814 6.397
283 1HG2 ILE 41 2HG2 ILE 41 5.596 -3.875 6.515
284 2HG2 ILE 41 3HG2 ILE 41 4.639 -5.357 6.758
285 3HG2 ILE 41 1HG2 ILE 41 5.748 -4.778 8.023
286 1HD1 ILE 41 3HD1 ILE 41 8.423 -6.720 8.463
287 2HD1 ILE 41 1HD1 ILE 41 6.770 -6.567 9.120
288 3HD1 ILE 41 2HD1 ILE 41 7.462 -8.175 8.816
289 H MET 42 H MET 42 8.172 -4.319 3.506
290 HA MET 42 HA MET 42 9.715 -6.513 2.102
291 1HB MET 42 1HB MET 42 9.765 -3.426 1.852
292 2HB MET 42 2HB MET 42 10.760 -4.508 0.894
293 1HG MET 42 1HG MET 42 8.764 -5.529 -0.187
294 2HG MET 42 2HG MET 42 7.680 -4.610 0.869
295 1HE MET 42 2HE MET 42 10.876 -3.912 -1.525
296 2HE MET 42 1HE MET 42 9.545 -4.602 -2.507
297 3HE MET 42 3HE MET 42 10.040 -2.898 -2.738
298 H GLU 43 H GLU 43 10.845 -3.537 3.687
299 HA GLU 43 HA GLU 43 12.531 -3.026 5.251
300 1HB GLU 43 1HB GLU 43 11.582 -5.158 6.396
301 2HB GLU 43 2HB GLU 43 12.958 -6.068 5.806
302 1HG GLU 43 1HG GLU 43 12.987 -3.593 7.673
303 2HG GLU 43 2HG GLU 43 13.058 -5.256 8.210
304 HE1 GLU 43 HE2 GLU 43 16.396 -5.782 7.237
305 H GLY 44 H GLY 44 14.425 -2.532 4.934
306 1HA GLY 44 1HA GLY 44 16.521 -4.095 3.359
307 2HA GLY 44 2HA GLY 44 16.084 -2.536 2.655
308 H LEU 45 H LEU 45 16.471 -0.641 3.914
309 HA LEU 45 HA LEU 45 18.032 -0.951 6.542
310 1HB LEU 45 1HB LEU 45 19.362 0.141 4.576
311 2HB LEU 45 2HB LEU 45 18.264 1.488 4.660
312 HG LEU 45 HG LEU 45 20.379 1.936 5.754
313 1HD1 LEU 45 1HD1 LEU 45 18.384 3.075 6.768
314 2HD1 LEU 45 2HD1 LEU 45 18.287 1.797 8.006
315 3HD1 LEU 45 3HD1 LEU 45 19.713 2.855 7.925
316 1HD2 LEU 45 3HD2 LEU 45 21.021 -0.401 6.426
317 2HD2 LEU 45 1HD2 LEU 45 21.282 0.783 7.722
318 3HD2 LEU 45 2HD2 LEU 45 19.886 -0.314 7.797
319 H SER 46 H SER 46 16.094 -1.160 7.561
320 HA SER 46 HA SER 46 14.579 1.407 8.137
321 1HB SER 46 1HB SER 46 13.242 0.260 6.313
322 2HB SER 46 2HB SER 46 13.117 -1.203 7.291
323 HG SER 46 HG SER 46 11.332 0.189 7.480
324 H PHE 47 H PHE 47 14.014 -2.007 8.960
325 HA PHE 47 HA PHE 47 14.268 -3.317 10.944
326 1HB PHE 47 1HB PHE 47 16.507 -1.232 11.544
327 2HB PHE 47 2HB PHE 47 16.257 -2.693 12.447
328 HD1 PHE 47 HD2 PHE 47 16.441 -4.992 11.256
329 HD2 PHE 47 HD1 PHE 47 17.820 -1.331 9.459
330 HE1 PHE 47 HE2 PHE 47 17.859 -6.274 9.708
331 HE2 PHE 47 HE1 PHE 47 19.236 -2.635 7.923
332 HZ PHE 47 HZ PHE 47 19.255 -5.100 8.039
333 H ALA 48 H ALA 48 12.321 -2.968 11.859
334 HA ALA 48 HA ALA 48 12.220 -1.304 14.397
335 1HB ALA 48 3HB ALA 48 10.128 -0.933 12.122
336 2HB ALA 48 1HB ALA 48 10.031 -0.228 13.753
337 3HB ALA 48 2HB ALA 48 11.323 0.277 12.649
338 HXT ALA 48 HO ALA 48 9.491 -4.199 13.422
No H/Q in entry = 338
Start of MODEL 5
Raw file had 348 H/Q atoms
Start of MODEL 5
1 1H GLU 1 2H GLU 1 16.015 12.478 9.983
2 2H GLU 1 3H GLU 1 14.607 13.007 10.668
3 3H GLU 1 1H GLU 1 16.058 13.580 11.213
4 HA GLU 1 HA GLU 1 16.698 11.377 12.035
5 1HB GLU 1 1HB GLU 1 15.466 13.105 13.479
6 2HB GLU 1 2HB GLU 1 13.928 12.381 13.030
7 1HG GLU 1 1HG GLU 1 14.743 10.173 14.112
8 2HG GLU 1 2HG GLU 1 16.218 11.002 14.594
9 HE1 GLU 1 HE2 GLU 1 12.690 11.637 16.477
10 H ASP 2 H ASP 2 13.170 11.213 11.522
11 HA ASP 2 HA ASP 2 13.484 8.362 10.365
12 1HB ASP 2 1HB ASP 2 11.153 9.578 12.002
13 2HB ASP 2 2HB ASP 2 11.085 8.030 11.189
14 HD2 ASP 2 HD2 ASP 2 11.987 9.656 13.845
15 H ASN 3 H ASN 3 10.974 10.887 10.292
16 HA ASN 3 HA ASN 3 9.671 11.884 8.577
17 1HB ASN 3 1HB ASN 3 11.914 10.904 6.701
18 2HB ASN 3 2HB ASN 3 10.722 12.081 6.214
19 1HD2 ASN 3 1HD2 ASN 3 12.368 14.886 7.800
20 2HD2 ASN 3 2HD2 ASN 3 10.763 14.230 7.200
21 H CYS 4 H CYS 4 9.753 9.043 9.034
22 HA CYS 4 HA CYS 4 7.554 8.187 7.009
23 1HB CYS 4 1HB CYS 4 8.365 6.087 6.892
24 2HB CYS 4 2HB CYS 4 9.454 7.046 6.039
25 H ILE 5 H ILE 5 6.542 6.099 7.653
26 HA ILE 5 HA ILE 5 5.961 6.115 10.737
27 HB ILE 5 HB ILE 5 3.812 5.295 8.662
28 1HG1 ILE 5 1HG1 ILE 5 4.111 7.810 10.312
29 2HG1 ILE 5 2HG1 ILE 5 4.340 7.701 8.577
30 1HG2 ILE 5 2HG2 ILE 5 3.617 4.041 10.851
31 2HG2 ILE 5 3HG2 ILE 5 3.554 5.583 11.740
32 3HG2 ILE 5 1HG2 ILE 5 2.288 5.119 10.595
33 1HD1 ILE 5 2HD1 ILE 5 1.993 7.030 8.246
34 2HD1 ILE 5 3HD1 ILE 5 1.731 7.179 10.014
35 3HD1 ILE 5 1HD1 ILE 5 2.123 8.613 9.066
36 H ALA 6 H ALA 6 7.355 4.478 11.276
37 HA ALA 6 HA ALA 6 7.831 2.174 9.368
38 1HB ALA 6 2HB ALA 6 9.732 3.186 10.766
39 2HB ALA 6 3HB ALA 6 8.925 2.666 12.272
40 3HB ALA 6 1HB ALA 6 9.559 1.460 11.126
41 H GLU 7 H GLU 7 5.389 2.643 11.051
42 HA GLU 7 HA GLU 7 4.868 -0.024 12.433
43 1HB GLU 7 2HB GLU 7 3.593 2.752 12.635
44 2HB GLU 7 1HB GLU 7 2.974 1.371 13.514
45 1HG GLU 7 1HG GLU 7 5.135 1.123 14.764
46 2HG GLU 7 2HG GLU 7 5.804 2.509 13.904
47 HE1 GLU 7 HE2 GLU 7 3.064 2.972 16.848
48 H ASP 8 H ASP 8 3.131 -0.998 12.638
49 HA ASP 8 HA ASP 8 1.110 -0.998 10.334
50 1HB ASP 8 1HB ASP 8 1.420 -3.285 12.283
51 2HB ASP 8 2HB ASP 8 0.456 -3.235 10.832
52 HD1 ASP 8 HD2 ASP 8 1.745 -2.417 8.948
53 H TYR 9 H TYR 9 -0.551 -0.327 11.026
54 HA TYR 9 HA TYR 9 -2.213 1.104 12.172
55 1HB TYR 9 1HB TYR 9 -1.617 -0.801 14.569
56 2HB TYR 9 2HB TYR 9 -2.988 0.263 14.423
57 HD1 TYR 9 HD1 TYR 9 -4.635 -0.057 12.384
58 HD2 TYR 9 HD2 TYR 9 -1.709 -3.016 13.484
59 HE1 TYR 9 HE1 TYR 9 -5.706 -1.690 10.888
60 HE2 TYR 9 HE2 TYR 9 -2.791 -4.633 11.990
61 HH TYR 9 HH TYR 9 -4.412 -4.988 10.518
62 H GLY 10 H GLY 10 0.477 2.004 12.053
63 1HA GLY 10 1HA GLY 10 1.053 3.782 14.444
64 2HA GLY 10 2HA GLY 10 1.854 3.903 12.980
65 H LYS 11 H LYS 11 0.734 5.801 14.316
66 HA LYS 11 HA LYS 11 -1.863 6.688 13.036
67 1HB LYS 11 1HB LYS 11 -0.087 8.636 14.540
68 2HB LYS 11 2HB LYS 11 -1.762 8.831 14.177
69 1HG LYS 11 1HG LYS 11 -0.685 6.762 16.182
70 2HG LYS 11 2HG LYS 11 -1.445 8.299 16.567
71 1HD LYS 11 1HD LYS 11 -3.602 7.507 15.426
72 2HD LYS 11 2HD LYS 11 -2.826 5.971 15.085
73 1HE LYS 11 1HE LYS 11 -4.186 5.587 17.006
74 2HE LYS 11 2HE LYS 11 -2.522 5.558 17.584
75 1HZ LYS 11 1HZ LYS 11 -3.980 6.827 19.021
76 2HZ LYS 11 2HZ LYS 11 -4.426 7.831 17.811
77 H CYS 12 H CYS 12 -2.051 7.683 11.461
78 HA CYS 12 HA CYS 12 0.105 9.038 9.710
79 1HB CYS 12 1HB CYS 12 -0.412 7.584 7.784
80 2HB CYS 12 2HB CYS 12 -0.067 6.529 9.137
81 H THR 13 H THR 13 -0.977 9.584 7.574
82 HA THR 13 HA THR 13 -3.806 10.734 7.934
83 HB THR 13 HB THR 13 -2.454 12.852 6.561
84 HG1 THR 13 HG1 THR 13 -0.965 12.085 8.885
85 1HG2 THR 13 2HG2 THR 13 -4.202 13.221 8.262
86 2HG2 THR 13 3HG2 THR 13 -3.044 12.781 9.572
87 3HG2 THR 13 1HG2 THR 13 -2.766 14.229 8.563
88 H TRP 14 H TRP 14 -4.781 11.303 6.149
89 HA TRP 14 HA TRP 14 -3.948 10.047 3.452
90 1HB TRP 14 1HB TRP 14 -6.737 10.882 4.472
91 2HB TRP 14 2HB TRP 14 -6.373 10.629 2.779
92 HD1 TRP 14 HD1 TRP 14 -4.746 8.038 5.262
93 HE1 TRP 14 HE1 TRP 14 -5.864 5.683 4.992
94 HE3 TRP 14 HE3 TRP 14 -8.556 9.551 2.199
95 HZ2 TRP 14 HZ2 TRP 14 -8.152 4.751 3.556
96 HZ3 TRP 14 HZ3 TRP 14 -10.182 7.865 1.413
97 HH2 TRP 14 HH2 TRP 14 -9.983 5.504 2.082
98 H GLY 15 H GLY 15 -2.608 11.482 2.778
99 1HA GLY 15 1HA GLY 15 -1.889 13.626 1.697
100 2HA GLY 15 2HA GLY 15 -3.223 14.487 2.501
101 H GLY 16 H GLY 16 -0.369 12.515 3.140
102 1HA GLY 16 1HA GLY 16 0.417 13.871 5.833
103 2HA GLY 16 2HA GLY 16 -0.329 12.336 5.776
104 H THR 17 H THR 17 1.534 11.882 6.918
105 HA THR 17 HA THR 17 3.738 10.671 5.167
106 HB THR 17 HB THR 17 3.532 9.804 8.115
107 HG1 THR 17 HG1 THR 17 4.832 11.636 8.585
108 1HG2 THR 17 3HG2 THR 17 5.275 8.749 6.655
109 2HG2 THR 17 1HG2 THR 17 5.973 10.324 6.270
110 3HG2 THR 17 2HG2 THR 17 5.995 9.702 7.937
111 H LYS 18 H LYS 18 3.798 8.591 4.785
112 HA LYS 18 HA LYS 18 1.578 6.586 5.572
113 1HB LYS 18 1HB LYS 18 3.129 6.269 2.998
114 2HB LYS 18 2HB LYS 18 1.758 5.404 3.534
115 1HG LYS 18 1HG LYS 18 1.516 8.348 2.686
116 2HG LYS 18 2HG LYS 18 1.254 6.962 1.638
117 1HD LYS 18 1HD LYS 18 -0.560 6.105 3.173
118 2HD LYS 18 2HD LYS 18 -0.351 7.515 4.219
119 1HE LYS 18 1HE LYS 18 -1.046 9.055 2.368
120 2HE LYS 18 2HE LYS 18 -1.127 7.703 1.225
121 1HZ LYS 18 1HZ LYS 18 -2.874 6.721 2.543
122 2HZ LYS 18 2HZ LYS 18 -3.286 8.233 2.077
123 H CYS 19 H CYS 19 2.617 4.498 4.999
124 HA CYS 19 HA CYS 19 4.637 4.360 7.214
125 1HB CYS 19 1HB CYS 19 2.828 2.248 6.040
126 2HB CYS 19 2HB CYS 19 4.300 1.662 6.844
127 H CYS 20 H CYS 20 6.416 3.579 7.234
128 HA CYS 20 HA CYS 20 8.194 4.693 5.715
129 1HB CYS 20 1HB CYS 20 8.452 3.728 8.065
130 2HB CYS 20 2HB CYS 20 9.057 2.221 7.379
131 H ARG 21 H ARG 21 7.740 1.176 5.612
132 HA ARG 21 HA ARG 21 9.724 0.793 3.307
133 1HB ARG 21 1HB ARG 21 9.751 -0.599 5.610
134 2HB ARG 21 2HB ARG 21 8.327 -1.427 4.993
135 1HG ARG 21 1HG ARG 21 9.748 -2.223 3.005
136 2HG ARG 21 2HG ARG 21 11.119 -1.329 3.660
137 1HD ARG 21 1HD ARG 21 11.015 -2.760 5.782
138 2HD ARG 21 2HD ARG 21 9.654 -3.646 5.096
139 1HH1 ARG 21 2HH2 ARG 21 13.092 -2.541 5.336
140 2HH1 ARG 21 1HH2 ARG 21 14.574 -3.408 4.689
141 1HH2 ARG 21 1HH1 ARG 21 12.715 -5.643 2.831
142 2HH2 ARG 21 2HH1 ARG 21 14.371 -5.054 3.357
143 H GLY 22 H GLY 22 7.285 1.879 3.006
144 1HA GLY 22 1HA GLY 22 5.864 2.155 0.953
145 2HA GLY 22 2HA GLY 22 6.509 0.655 0.348
146 H ARG 23 H ARG 23 4.709 1.639 3.070
147 HA ARG 23 HA ARG 23 2.612 -0.574 2.663
148 1HB ARG 23 1HB ARG 23 3.958 0.589 5.113
149 2HB ARG 23 2HB ARG 23 2.376 -0.124 5.330
150 1HG ARG 23 1HG ARG 23 4.942 -1.482 4.342
151 2HG ARG 23 2HG ARG 23 4.225 -1.578 5.947
152 1HD ARG 23 1HD ARG 23 2.129 -2.674 4.915
153 2HD ARG 23 2HD ARG 23 2.952 -2.692 3.351
154 1HH1 ARG 23 2HH2 ARG 23 2.629 -4.632 2.721
155 2HH1 ARG 23 1HH2 ARG 23 3.210 -6.371 2.790
156 1HH2 ARG 23 1HH1 ARG 23 4.959 -5.898 5.722
157 2HH2 ARG 23 2HH1 ARG 23 4.446 -7.039 4.380
158 HA PRO 24 HA PRO 24 -0.283 2.985 2.357
159 1HB PRO 24 1HB PRO 24 -2.632 1.608 1.862
160 2HB PRO 24 2HB PRO 24 -1.290 1.614 0.712
161 1HG PRO 24 1HG PRO 24 -1.952 -0.545 2.786
162 2HG PRO 24 2HG PRO 24 -1.643 -0.765 1.046
163 1HD PRO 24 1HD PRO 24 0.338 -1.107 2.964
164 2HD PRO 24 2HD PRO 24 0.717 -0.489 1.326
165 H CYS 25 H CYS 25 -2.542 3.533 3.220
166 HA CYS 25 HA CYS 25 -2.806 2.820 6.190
167 1HB CYS 25 1HB CYS 25 -2.141 5.490 5.039
168 2HB CYS 25 2HB CYS 25 -3.623 5.535 6.033
169 H ARG 26 H ARG 26 -4.793 2.967 7.005
170 HA ARG 26 HA ARG 26 -7.208 3.597 5.340
171 1HB ARG 26 1HB ARG 26 -7.039 0.946 6.918
172 2HB ARG 26 2HB ARG 26 -8.511 1.636 6.273
173 1HG ARG 26 1HG ARG 26 -6.127 0.687 4.570
174 2HG ARG 26 2HG ARG 26 -7.584 -0.235 4.903
175 1HD ARG 26 1HD ARG 26 -8.982 1.512 3.715
176 2HD ARG 26 2HD ARG 26 -7.542 2.449 3.352
177 1HH1 ARG 26 2HH2 ARG 26 -5.722 2.188 2.386
178 2HH1 ARG 26 1HH2 ARG 26 -4.962 1.549 0.843
179 1HH2 ARG 26 1HH1 ARG 26 -7.440 -0.782 0.319
180 2HH2 ARG 26 2HH1 ARG 26 -5.870 -0.017 -0.245
181 H CYS 27 H CYS 27 -8.425 4.896 6.626
182 HA CYS 27 HA CYS 27 -7.142 5.765 9.016
183 1HB CYS 27 1HB CYS 27 -9.962 6.595 8.081
184 2HB CYS 27 2HB CYS 27 -8.984 7.496 9.195
185 H SER 28 H SER 28 -8.276 6.291 11.055
186 HA SER 28 HA SER 28 -9.068 3.852 12.536
187 1HB SER 28 1HB SER 28 -7.587 6.006 13.192
188 2HB SER 28 2HB SER 28 -9.146 6.752 13.582
189 HG SER 28 HG SER 28 -8.171 5.707 15.319
190 H MET 29 H MET 29 -10.608 4.773 14.364
191 HA MET 29 HA MET 29 -13.344 3.909 13.473
192 1HB MET 29 1HB MET 29 -12.184 4.894 16.187
193 2HB MET 29 2HB MET 29 -13.881 4.581 15.985
194 1HG MET 29 1HG MET 29 -12.937 2.601 16.964
195 2HG MET 29 2HG MET 29 -13.379 2.172 15.303
196 1HE MET 29 1HE MET 29 -11.404 0.359 17.005
197 2HE MET 29 3HE MET 29 -11.793 0.031 15.286
198 3HE MET 29 2HE MET 29 -10.089 0.057 15.829
199 H ILE 30 H ILE 30 -11.931 7.021 14.234
200 HA ILE 30 HA ILE 30 -14.560 8.540 14.286
201 HB ILE 30 HB ILE 30 -11.635 9.651 14.228
202 1HG1 ILE 30 1HG1 ILE 30 -12.462 10.321 16.733
203 2HG1 ILE 30 2HG1 ILE 30 -13.517 8.936 16.568
204 1HG2 ILE 30 1HG2 ILE 30 -14.331 11.074 14.830
205 2HG2 ILE 30 2HG2 ILE 30 -12.713 11.808 14.967
206 3HG2 ILE 30 3HG2 ILE 30 -13.321 11.326 13.385
207 1HD1 ILE 30 1HD1 ILE 30 -10.420 8.919 16.304
208 2HD1 ILE 30 2HD1 ILE 30 -11.342 8.442 17.748
209 3HD1 ILE 30 3HD1 ILE 30 -11.443 7.460 16.275
210 H GLY 31 H GLY 31 -11.661 8.667 12.242
211 1HA GLY 31 1HA GLY 31 -12.369 8.365 9.565
212 2HA GLY 31 2HA GLY 31 -13.256 9.850 9.917
213 H THR 32 H THR 32 -11.588 11.152 11.561
214 HA THR 32 HA THR 32 -9.147 11.886 9.841
215 HB THR 32 HB THR 32 -8.853 13.849 11.365
216 HG1 THR 32 HG1 THR 32 -10.656 14.418 12.669
217 1HG2 THR 32 2HG2 THR 32 -10.150 14.160 9.204
218 2HG2 THR 32 3HG2 THR 32 -11.674 13.786 10.052
219 3HG2 THR 32 1HG2 THR 32 -10.750 15.245 10.479
220 H ASN 33 H ASN 33 -7.177 11.964 10.830
221 HA ASN 33 HA ASN 33 -5.296 11.205 12.078
222 1HB ASN 33 1HB ASN 33 -7.295 10.463 14.361
223 2HB ASN 33 2HB ASN 33 -5.586 10.216 14.415
224 1HD2 ASN 33 1HD2 ASN 33 -6.942 13.928 15.320
225 2HD2 ASN 33 2HD2 ASN 33 -8.053 12.530 14.899
226 H CYS 34 H CYS 34 -5.674 9.908 10.192
227 HA CYS 34 HA CYS 34 -6.796 7.243 10.180
228 1HB CYS 34 1HB CYS 34 -4.482 8.283 8.456
229 2HB CYS 34 2HB CYS 34 -5.460 6.884 8.073
230 H GLU 35 H GLU 35 -5.503 5.179 9.770
231 HA GLU 35 HA GLU 35 -2.794 5.128 11.243
232 1HB GLU 35 1HB GLU 35 -4.381 2.603 11.730
233 2HB GLU 35 2HB GLU 35 -3.158 3.368 12.654
234 1HG GLU 35 1HG GLU 35 -4.743 5.103 13.551
235 2HG GLU 35 2HG GLU 35 -6.062 4.330 12.671
236 HE1 GLU 35 HE2 GLU 35 -4.428 2.597 15.960
237 H CYS 36 H CYS 36 -1.790 2.966 11.016
238 HA CYS 36 HA CYS 36 -1.374 2.596 8.005
239 1HB CYS 36 1HB CYS 36 0.483 2.245 10.474
240 2HB CYS 36 2HB CYS 36 0.841 1.239 9.185
241 H THR 37 H THR 37 -0.922 0.486 7.139
242 HA THR 37 HA THR 37 -2.514 -1.800 8.432
243 HB THR 37 HB THR 37 -3.479 -2.282 6.110
244 HG1 THR 37 HG1 THR 37 -3.645 -0.439 4.765
245 1HG2 THR 37 2HG2 THR 37 -4.846 -1.218 7.986
246 2HG2 THR 37 3HG2 THR 37 -4.396 0.398 7.377
247 3HG2 THR 37 1HG2 THR 37 -5.367 -0.708 6.371
248 HA PRO 38 HA PRO 38 1.175 -4.034 6.678
249 1HB PRO 38 1HB PRO 38 0.564 -6.576 7.632
250 2HB PRO 38 2HB PRO 38 1.196 -5.283 8.644
251 1HG PRO 38 1HG PRO 38 -1.692 -6.207 8.378
252 2HG PRO 38 2HG PRO 38 -0.803 -5.786 9.860
253 1HD PRO 38 1HD PRO 38 -2.543 -4.028 8.571
254 2HD PRO 38 2HD PRO 38 -1.178 -3.448 9.518
255 H ARG 39 H ARG 39 -1.497 -6.347 6.390
256 HA ARG 39 HA ARG 39 -1.485 -6.086 3.333
257 1HB ARG 39 1HB ARG 39 -1.093 -8.732 4.904
258 2HB ARG 39 2HB ARG 39 -1.450 -8.633 3.186
259 1HG ARG 39 1HG ARG 39 0.686 -7.320 2.806
260 2HG ARG 39 2HG ARG 39 1.082 -7.503 4.516
261 1HD ARG 39 1HD ARG 39 1.029 -10.034 4.242
262 2HD ARG 39 2HD ARG 39 0.706 -9.847 2.525
263 1HH1 ARG 39 2HH2 ARG 39 1.579 -8.800 0.904
264 2HH1 ARG 39 1HH2 ARG 39 3.172 -8.547 0.029
265 1HH2 ARG 39 1HH1 ARG 39 5.066 -9.090 2.854
266 2HH2 ARG 39 2HH1 ARG 39 5.013 -8.700 1.061
267 H LEU 40 H LEU 40 -3.007 -7.828 6.042
268 HA LEU 40 HA LEU 40 -5.267 -8.257 6.690
269 1HB LEU 40 1HB LEU 40 -5.974 -6.107 4.541
270 2HB LEU 40 2HB LEU 40 -7.155 -7.005 5.441
271 HG LEU 40 HG LEU 40 -6.295 -6.128 7.615
272 1HD1 LEU 40 3HD1 LEU 40 -4.488 -4.330 5.870
273 2HD1 LEU 40 1HD1 LEU 40 -4.855 -4.021 7.588
274 3HD1 LEU 40 2HD1 LEU 40 -3.962 -5.474 7.128
275 1HD2 LEU 40 2HD2 LEU 40 -8.253 -5.091 6.451
276 2HD2 LEU 40 3HD2 LEU 40 -7.325 -3.866 7.336
277 3HD2 LEU 40 1HD2 LEU 40 -7.172 -3.986 5.565
278 H ILE 41 H ILE 41 -5.862 -7.794 3.209
279 HA ILE 41 HA ILE 41 -6.490 -9.252 1.430
280 HB ILE 41 HB ILE 41 -5.414 -11.637 3.146
281 1HG1 ILE 41 1HG1 ILE 41 -3.532 -10.111 2.880
282 2HG1 ILE 41 2HG1 ILE 41 -3.314 -11.485 1.838
283 1HG2 ILE 41 2HG2 ILE 41 -5.963 -11.336 0.099
284 2HG2 ILE 41 3HG2 ILE 41 -5.203 -12.748 0.875
285 3HG2 ILE 41 1HG2 ILE 41 -6.884 -12.341 1.238
286 1HD1 ILE 41 1HD1 ILE 41 -3.953 -10.063 -0.182
287 2HD1 ILE 41 2HD1 ILE 41 -4.164 -8.660 0.901
288 3HD1 ILE 41 3HD1 ILE 41 -2.564 -9.410 0.716
289 H MET 42 H MET 42 -8.590 -8.824 1.651
290 HA MET 42 HA MET 42 -10.404 -10.648 3.337
291 1HB MET 42 1HB MET 42 -11.701 -8.671 4.028
292 2HB MET 42 2HB MET 42 -10.061 -8.564 4.600
293 1HG MET 42 1HG MET 42 -11.087 -6.968 2.157
294 2HG MET 42 2HG MET 42 -11.104 -6.380 3.827
295 1HE MET 42 3HE MET 42 -9.624 -4.254 3.311
296 2HE MET 42 2HE MET 42 -8.078 -4.319 2.416
297 3HE MET 42 1HE MET 42 -9.610 -4.715 1.579
298 H GLU 43 H GLU 43 -12.474 -10.834 2.668
299 HA GLU 43 HA GLU 43 -14.316 -11.166 1.246
300 1HB GLU 43 1HB GLU 43 -14.079 -8.685 0.687
301 2HB GLU 43 2HB GLU 43 -13.061 -9.070 -0.699
302 1HG GLU 43 1HG GLU 43 -14.981 -10.334 -1.745
303 2HG GLU 43 2HG GLU 43 -15.983 -10.010 -0.332
304 HE2 GLU 43 HE2 GLU 43 -16.712 -6.741 -1.168
305 H GLY 44 H GLY 44 -14.760 -12.592 -0.222
306 1HA GLY 44 1HA GLY 44 -12.664 -14.422 -1.279
307 2HA GLY 44 2HA GLY 44 -14.389 -14.615 -1.505
308 H LEU 45 H LEU 45 -15.420 -13.169 -3.163
309 HA LEU 45 HA LEU 45 -13.682 -12.878 -5.650
310 1HB LEU 45 1HB LEU 45 -16.004 -13.980 -5.677
311 2HB LEU 45 2HB LEU 45 -16.729 -12.440 -5.313
312 HG LEU 45 HG LEU 45 -16.924 -13.111 -7.657
313 1HD1 LEU 45 1HD1 LEU 45 -16.894 -10.644 -7.175
314 2HD1 LEU 45 2HD1 LEU 45 -15.163 -10.592 -7.591
315 3HD1 LEU 45 3HD1 LEU 45 -16.361 -11.043 -8.821
316 1HD2 LEU 45 3HD2 LEU 45 -14.798 -14.410 -7.938
317 2HD2 LEU 45 1HD2 LEU 45 -15.066 -13.259 -9.263
318 3HD2 LEU 45 2HD2 LEU 45 -13.871 -12.889 -7.998
319 H SER 46 H SER 46 -12.490 -11.123 -5.469
320 HA SER 46 HA SER 46 -13.817 -8.373 -5.049
321 1HB SER 46 1HB SER 46 -11.735 -7.573 -3.948
322 2HB SER 46 2HB SER 46 -12.524 -8.837 -3.016
323 HG SER 46 HG SER 46 -10.309 -9.186 -4.758
324 H PHE 47 H PHE 47 -14.042 -8.033 -7.177
325 HA PHE 47 HA PHE 47 -11.703 -8.380 -9.114
326 1HB PHE 47 1HB PHE 47 -13.977 -9.418 -9.580
327 2HB PHE 47 2HB PHE 47 -14.717 -7.840 -9.595
328 HD1 PHE 47 HD2 PHE 47 -12.240 -10.054 -11.364
329 HD2 PHE 47 HD1 PHE 47 -14.565 -6.440 -11.628
330 HE1 PHE 47 HE2 PHE 47 -11.710 -9.873 -13.761
331 HE2 PHE 47 HE1 PHE 47 -14.020 -6.275 -14.019
332 HZ PHE 47 HZ PHE 47 -12.594 -7.987 -15.091
333 H ALA 48 H ALA 48 -14.244 -5.908 -8.756
334 HA ALA 48 HA ALA 48 -14.296 -3.534 -9.058
335 1HB ALA 48 3HB ALA 48 -12.619 -3.475 -7.142
336 2HB ALA 48 1HB ALA 48 -11.269 -3.619 -8.293
337 3HB ALA 48 2HB ALA 48 -12.316 -2.186 -8.319
338 HXT ALA 48 HO ALA 48 -13.647 -3.382 -12.401
No H/Q in entry = 338
Start of MODEL 6
Raw file had 348 H/Q atoms
Start of MODEL 6
1 1H GLU 1 3H GLU 1 12.722 15.939 7.908
2 2H GLU 1 1H GLU 1 13.143 15.129 6.531
3 3H GLU 1 2H GLU 1 13.590 16.707 6.731
4 HA GLU 1 HA GLU 1 11.268 17.445 6.677
5 1HB GLU 1 1HB GLU 1 12.733 17.297 4.586
6 2HB GLU 1 2HB GLU 1 12.139 15.671 4.274
7 1HG GLU 1 1HG GLU 1 9.779 16.618 4.022
8 2HG GLU 1 2HG GLU 1 10.395 18.233 4.357
9 HE1 GLU 1 HE2 GLU 1 11.824 18.721 1.242
10 H ASP 2 H ASP 2 11.224 14.140 5.321
11 HA ASP 2 HA ASP 2 8.482 13.669 6.580
12 1HB ASP 2 1HB ASP 2 8.925 13.239 4.088
13 2HB ASP 2 2HB ASP 2 10.024 11.942 4.519
14 HD1 ASP 2 HD2 ASP 2 6.845 13.121 4.731
15 H ASN 3 H ASN 3 8.285 12.548 8.357
16 HA ASN 3 HA ASN 3 10.507 11.121 9.691
17 1HB ASN 3 1HB ASN 3 8.516 12.511 10.749
18 2HB ASN 3 2HB ASN 3 7.481 11.156 10.397
19 1HD2 ASN 3 1HD2 ASN 3 8.495 9.511 13.442
20 2HD2 ASN 3 2HD2 ASN 3 7.387 9.573 11.981
21 H CYS 4 H CYS 4 8.000 10.232 8.047
22 HA CYS 4 HA CYS 4 7.025 8.164 6.988
23 1HB CYS 4 1HB CYS 4 8.056 6.220 7.016
24 2HB CYS 4 2HB CYS 4 9.144 7.247 6.265
25 H ILE 5 H ILE 5 6.148 6.063 7.661
26 HA ILE 5 HA ILE 5 5.390 6.071 10.706
27 HB ILE 5 HB ILE 5 3.475 4.609 8.759
28 1HG1 ILE 5 1HG1 ILE 5 3.436 6.961 7.960
29 2HG1 ILE 5 2HG1 ILE 5 2.011 6.420 8.697
30 1HG2 ILE 5 3HG2 ILE 5 3.167 5.578 11.651
31 2HG2 ILE 5 1HG2 ILE 5 1.913 4.856 10.629
32 3HG2 ILE 5 2HG2 ILE 5 3.318 3.906 11.080
33 1HD1 ILE 5 2HD1 ILE 5 3.083 7.582 10.885
34 2HD1 ILE 5 3HD1 ILE 5 4.120 8.350 9.644
35 3HD1 ILE 5 1HD1 ILE 5 2.327 8.538 9.582
36 H ALA 6 H ALA 6 6.910 4.610 11.397
37 HA ALA 6 HA ALA 6 7.814 2.376 9.570
38 1HB ALA 6 2HB ALA 6 9.477 3.618 11.090
39 2HB ALA 6 3HB ALA 6 8.618 3.035 12.541
40 3HB ALA 6 1HB ALA 6 9.480 1.892 11.484
41 H GLU 7 H GLU 7 5.221 2.567 11.228
42 HA GLU 7 HA GLU 7 4.961 -0.367 12.065
43 1HB GLU 7 1HB GLU 7 4.111 2.240 13.536
44 2HB GLU 7 2HB GLU 7 3.330 0.749 13.927
45 1HG GLU 7 1HG GLU 7 4.895 0.919 15.607
46 2HG GLU 7 2HG GLU 7 5.564 -0.307 14.551
47 HE1 GLU 7 HE2 GLU 7 7.284 3.401 14.767
48 H ASP 8 H ASP 8 3.372 -1.529 11.992
49 HA ASP 8 HA ASP 8 1.020 -0.919 10.197
50 1HB ASP 8 1HB ASP 8 1.279 -3.304 12.042
51 2HB ASP 8 2HB ASP 8 0.172 -3.096 10.708
52 HD2 ASP 8 HD2 ASP 8 1.957 -5.109 11.134
53 H TYR 9 H TYR 9 -0.704 -0.338 10.966
54 HA TYR 9 HA TYR 9 -2.263 1.091 12.220
55 1HB TYR 9 1HB TYR 9 -1.576 -0.926 14.503
56 2HB TYR 9 2HB TYR 9 -2.940 0.158 14.487
57 HD1 TYR 9 HD1 TYR 9 -4.706 -0.039 12.549
58 HD2 TYR 9 HD2 TYR 9 -1.760 -3.081 13.319
59 HE1 TYR 9 HE1 TYR 9 -5.926 -1.604 11.097
60 HE2 TYR 9 HE2 TYR 9 -2.989 -4.632 11.867
61 HH TYR 9 HH TYR 9 -5.974 -3.630 10.197
62 H GLY 10 H GLY 10 0.573 1.903 12.168
63 1HA GLY 10 1HA GLY 10 1.037 3.572 14.652
64 2HA GLY 10 2HA GLY 10 1.975 3.705 13.258
65 H LYS 11 H LYS 11 0.906 5.671 14.541
66 HA LYS 11 HA LYS 11 -1.671 6.618 13.257
67 1HB LYS 11 1HB LYS 11 -1.046 7.322 15.529
68 2HB LYS 11 2HB LYS 11 0.126 8.495 14.890
69 1HG LYS 11 1HG LYS 11 -2.873 8.475 14.144
70 2HG LYS 11 2HG LYS 11 -2.340 9.185 15.653
71 1HD LYS 11 1HD LYS 11 -0.992 10.895 14.540
72 2HD LYS 11 2HD LYS 11 -1.227 10.166 12.956
73 1HE LYS 11 1HE LYS 11 -3.719 10.586 13.095
74 2HE LYS 11 2HE LYS 11 -3.502 11.356 14.675
75 1HZ LYS 11 1HZ LYS 11 -3.576 12.947 12.871
76 2HZ LYS 11 2HZ LYS 11 -2.302 12.258 12.114
77 H CYS 12 H CYS 12 -1.799 7.688 11.849
78 HA CYS 12 HA CYS 12 0.315 8.995 9.975
79 1HB CYS 12 1HB CYS 12 0.116 7.406 8.242
80 2HB CYS 12 2HB CYS 12 0.136 6.397 9.655
81 H THR 13 H THR 13 -0.820 9.255 7.811
82 HA THR 13 HA THR 13 -3.686 10.231 7.914
83 HB THR 13 HB THR 13 -2.776 12.283 6.371
84 HG1 THR 13 HG1 THR 13 -0.545 11.770 6.844
85 1HG2 THR 13 2HG2 THR 13 -4.184 12.677 8.357
86 2HG2 THR 13 3HG2 THR 13 -2.738 12.529 9.430
87 3HG2 THR 13 1HG2 THR 13 -2.853 13.855 8.241
88 H TRP 14 H TRP 14 -4.598 10.078 6.018
89 HA TRP 14 HA TRP 14 -3.125 8.781 3.643
90 1HB TRP 14 1HB TRP 14 -5.320 7.626 4.578
91 2HB TRP 14 2HB TRP 14 -6.207 8.935 3.822
92 HD1 TRP 14 HD1 TRP 14 -3.218 6.502 2.742
93 HE1 TRP 14 HE1 TRP 14 -3.678 5.442 0.363
94 HE3 TRP 14 HE3 TRP 14 -7.673 8.871 1.887
95 HZ2 TRP 14 HZ2 TRP 14 -5.824 5.704 -1.521
96 HZ3 TRP 14 HZ3 TRP 14 -8.889 8.409 -0.214
97 HH2 TRP 14 HH2 TRP 14 -7.979 6.850 -1.889
98 H GLY 15 H GLY 15 -2.391 10.292 2.497
99 1HA GLY 15 1HA GLY 15 -2.247 12.385 1.131
100 2HA GLY 15 2HA GLY 15 -3.764 12.979 1.869
101 H GLY 16 H GLY 16 -0.511 11.860 2.651
102 1HA GLY 16 1HA GLY 16 0.030 13.628 5.164
103 2HA GLY 16 2HA GLY 16 -0.631 12.094 5.307
104 H THR 17 H THR 17 1.073 11.694 6.496
105 HA THR 17 HA THR 17 3.469 10.441 5.062
106 HB THR 17 HB THR 17 2.946 9.614 7.960
107 HG1 THR 17 HG1 THR 17 4.120 12.091 7.099
108 1HG2 THR 17 2HG2 THR 17 5.539 10.245 6.394
109 2HG2 THR 17 3HG2 THR 17 5.429 9.714 8.085
110 3HG2 THR 17 1HG2 THR 17 4.879 8.647 6.797
111 H LYS 18 H LYS 18 3.540 8.350 4.659
112 HA LYS 18 HA LYS 18 1.395 6.329 5.569
113 1HB LYS 18 1HB LYS 18 2.702 5.896 2.870
114 2HB LYS 18 2HB LYS 18 1.393 5.101 3.617
115 1HG LYS 18 1HG LYS 18 0.193 6.203 2.046
116 2HG LYS 18 2HG LYS 18 -0.080 7.183 3.475
117 1HD LYS 18 1HD LYS 18 1.732 8.820 2.583
118 2HD LYS 18 2HD LYS 18 1.831 7.824 1.131
119 1HE LYS 18 1HE LYS 18 -0.643 8.258 0.684
120 2HE LYS 18 2HE LYS 18 -0.741 9.219 2.167
121 1HZ LYS 18 1HZ LYS 18 -0.435 10.583 0.213
122 2HZ LYS 18 2HZ LYS 18 0.963 9.834 -0.181
123 H CYS 19 H CYS 19 2.421 4.256 5.039
124 HA CYS 19 HA CYS 19 4.436 4.212 7.172
125 1HB CYS 19 1HB CYS 19 2.922 1.963 5.860
126 2HB CYS 19 2HB CYS 19 4.493 1.465 6.575
127 H CYS 20 H CYS 20 6.302 3.471 7.230
128 HA CYS 20 HA CYS 20 8.059 4.821 5.832
129 1HB CYS 20 1HB CYS 20 8.234 3.794 8.151
130 2HB CYS 20 2HB CYS 20 9.004 2.366 7.456
131 H ARG 21 H ARG 21 7.758 1.328 5.523
132 HA ARG 21 HA ARG 21 9.914 1.111 3.351
133 1HB ARG 21 1HB ARG 21 9.862 -0.426 5.504
134 2HB ARG 21 2HB ARG 21 8.410 -1.178 4.856
135 1HG ARG 21 1HG ARG 21 9.730 -2.045 2.905
136 2HG ARG 21 2HG ARG 21 11.150 -1.156 3.410
137 1HD ARG 21 1HD ARG 21 9.818 -3.385 5.096
138 2HD ARG 21 2HD ARG 21 11.120 -3.656 3.933
139 1HH1 ARG 21 2HH2 ARG 21 11.734 -5.027 5.730
140 2HH1 ARG 21 1HH2 ARG 21 13.014 -5.087 7.044
141 1HH2 ARG 21 1HH1 ARG 21 13.270 -1.652 7.245
142 2HH2 ARG 21 2HH1 ARG 21 13.829 -3.293 7.847
143 H GLY 22 H GLY 22 7.485 2.212 2.958
144 1HA GLY 22 1HA GLY 22 6.118 2.607 0.880
145 2HA GLY 22 2HA GLY 22 6.881 1.199 0.180
146 H ARG 23 H ARG 23 4.933 1.800 2.899
147 HA ARG 23 HA ARG 23 3.000 -0.487 2.208
148 1HB ARG 23 1HB ARG 23 4.235 0.493 4.817
149 2HB ARG 23 2HB ARG 23 2.925 -0.626 4.886
150 1HG ARG 23 1HG ARG 23 5.763 -0.955 3.766
151 2HG ARG 23 2HG ARG 23 5.127 -1.649 5.241
152 1HD ARG 23 1HD ARG 23 3.702 -3.245 3.993
153 2HD ARG 23 2HD ARG 23 4.059 -2.476 2.450
154 1HH1 ARG 23 2HH2 ARG 23 5.491 -2.622 1.015
155 2HH1 ARG 23 1HH2 ARG 23 6.979 -3.499 0.397
156 1HH2 ARG 23 1HH1 ARG 23 7.606 -5.017 3.429
157 2HH2 ARG 23 2HH1 ARG 23 8.100 -4.769 1.679
158 HA PRO 24 HA PRO 24 -0.228 2.576 2.286
159 1HB PRO 24 1HB PRO 24 -2.530 0.987 2.543
160 2HB PRO 24 2HB PRO 24 -1.465 0.982 1.134
161 1HG PRO 24 1HG PRO 24 -1.469 -1.024 3.428
162 2HG PRO 24 2HG PRO 24 -1.438 -1.329 1.673
163 1HD PRO 24 1HD PRO 24 0.868 -1.350 3.200
164 2HD PRO 24 2HD PRO 24 0.867 -0.792 1.499
165 H CYS 25 H CYS 25 -2.076 3.463 3.307
166 HA CYS 25 HA CYS 25 -2.295 3.205 6.331
167 1HB CYS 25 1HB CYS 25 -0.639 4.885 6.214
168 2HB CYS 25 2HB CYS 25 -1.337 5.645 4.804
169 H ARG 26 H ARG 26 -4.329 3.421 6.980
170 HA ARG 26 HA ARG 26 -6.514 4.517 5.219
171 1HB ARG 26 1HB ARG 26 -6.622 1.584 6.207
172 2HB ARG 26 2HB ARG 26 -7.955 2.481 5.505
173 1HG ARG 26 1HG ARG 26 -6.636 2.770 3.349
174 2HG ARG 26 2HG ARG 26 -5.338 1.793 4.036
175 1HD ARG 26 1HD ARG 26 -6.974 -0.170 4.283
176 2HD ARG 26 2HD ARG 26 -8.219 0.819 3.535
177 1HH1 ARG 26 2HH2 ARG 26 -5.138 -0.952 3.829
178 2HH1 ARG 26 1HH2 ARG 26 -4.126 -1.727 2.509
179 1HH2 ARG 26 1HH1 ARG 26 -5.918 -0.263 -0.035
180 2HH2 ARG 26 2HH1 ARG 26 -4.539 -1.361 0.473
181 H CYS 27 H CYS 27 -8.017 5.412 6.565
182 HA CYS 27 HA CYS 27 -7.020 5.930 9.169
183 1HB CYS 27 2HB CYS 27 -9.802 6.653 8.193
184 2HB CYS 27 1HB CYS 27 -9.053 7.498 9.412
185 H SER 28 H SER 28 -8.944 6.319 10.736
186 HA SER 28 HA SER 28 -9.591 3.673 12.205
187 1HB SER 28 1HB SER 28 -8.534 5.845 13.300
188 2HB SER 28 2HB SER 28 -10.137 6.546 13.247
189 HG SER 28 HG SER 28 -9.396 4.075 14.408
190 H MET 29 H MET 29 -11.718 4.483 13.500
191 HA MET 29 HA MET 29 -13.780 3.124 11.808
192 1HB MET 29 1HB MET 29 -13.372 2.913 14.398
193 2HB MET 29 2HB MET 29 -14.230 4.414 14.610
194 1HG MET 29 1HG MET 29 -15.439 1.896 13.270
195 2HG MET 29 2HG MET 29 -15.596 2.299 14.987
196 1HE MET 29 2HE MET 29 -18.093 1.801 12.982
197 2HE MET 29 1HE MET 29 -18.284 2.150 14.729
198 3HE MET 29 3HE MET 29 -19.198 3.100 13.521
199 H ILE 30 H ILE 30 -13.642 6.287 13.259
200 HA ILE 30 HA ILE 30 -15.972 7.397 11.585
201 HB ILE 30 HB ILE 30 -15.656 8.080 14.065
202 1HG1 ILE 30 1HG1 ILE 30 -15.867 10.591 13.726
203 2HG1 ILE 30 2HG1 ILE 30 -15.400 10.427 12.046
204 1HG2 ILE 30 1HG2 ILE 30 -13.087 8.197 14.088
205 2HG2 ILE 30 2HG2 ILE 30 -13.166 9.659 13.080
206 3HG2 ILE 30 3HG2 ILE 30 -13.846 9.665 14.718
207 1HD1 ILE 30 3HD1 ILE 30 -17.921 9.159 13.336
208 2HD1 ILE 30 1HD1 ILE 30 -17.885 10.649 12.364
209 3HD1 ILE 30 2HD1 ILE 30 -17.511 9.091 11.600
210 H GLY 31 H GLY 31 -12.435 7.496 11.555
211 1HA GLY 31 2HA GLY 31 -11.340 7.712 9.315
212 2HA GLY 31 1HA GLY 31 -12.410 8.929 8.799
213 H THR 32 H THR 32 -11.974 9.972 11.823
214 HA THR 32 HA THR 32 -9.449 11.606 11.261
215 HB THR 32 HB THR 32 -9.852 12.681 13.478
216 HG1 THR 32 HG1 THR 32 -12.286 11.200 13.384
217 1HG2 THR 32 3HG2 THR 32 -10.863 13.752 11.404
218 2HG2 THR 32 1HG2 THR 32 -12.365 12.822 11.647
219 3HG2 THR 32 2HG2 THR 32 -11.868 14.044 12.841
220 H ASN 33 H ASN 33 -7.744 11.430 12.797
221 HA ASN 33 HA ASN 33 -5.989 10.300 13.895
222 1HB ASN 33 1HB ASN 33 -6.388 8.933 15.782
223 2HB ASN 33 2HB ASN 33 -7.638 10.134 15.835
224 1HD2 ASN 33 1HD2 ASN 33 -8.679 6.273 16.271
225 2HD2 ASN 33 2HD2 ASN 33 -6.951 6.779 15.917
226 H CYS 34 H CYS 34 -6.247 9.782 11.433
227 HA CYS 34 HA CYS 34 -6.829 7.148 10.555
228 1HB CYS 34 1HB CYS 34 -4.673 8.867 9.280
229 2HB CYS 34 2HB CYS 34 -5.417 7.491 8.510
230 H GLU 35 H GLU 35 -5.385 5.296 9.931
231 HA GLU 35 HA GLU 35 -2.706 5.206 11.466
232 1HB GLU 35 1HB GLU 35 -4.368 2.668 11.612
233 2HB GLU 35 2HB GLU 35 -3.090 3.234 12.612
234 1HG GLU 35 1HG GLU 35 -4.524 4.902 13.776
235 2HG GLU 35 2HG GLU 35 -5.915 4.406 12.813
236 HE1 GLU 35 HE2 GLU 35 -4.476 2.063 15.792
237 H CYS 36 H CYS 36 -1.743 2.951 11.059
238 HA CYS 36 HA CYS 36 -1.240 2.824 8.032
239 1HB CYS 36 1HB CYS 36 0.561 2.267 10.413
240 2HB CYS 36 2HB CYS 36 0.746 1.106 9.177
241 H THR 37 H THR 37 -1.136 0.775 7.016
242 HA THR 37 HA THR 37 -2.726 -1.524 8.289
243 HB THR 37 HB THR 37 -3.636 -1.999 5.930
244 HG1 THR 37 HG1 THR 37 -2.277 -0.500 4.852
245 1HG2 THR 37 2HG2 THR 37 -5.062 -1.020 7.799
246 2HG2 THR 37 3HG2 THR 37 -4.613 0.624 7.269
247 3HG2 THR 37 1HG2 THR 37 -5.552 -0.445 6.194
248 HA PRO 38 HA PRO 38 1.068 -3.949 7.212
249 1HB PRO 38 1HB PRO 38 -1.163 -6.049 6.771
250 2HB PRO 38 2HB PRO 38 0.415 -6.275 7.550
251 1HG PRO 38 1HG PRO 38 -1.820 -5.913 9.060
252 2HG PRO 38 2HG PRO 38 -0.298 -5.135 9.539
253 1HD PRO 38 1HD PRO 38 -2.736 -3.840 8.303
254 2HD PRO 38 2HD PRO 38 -1.528 -3.142 9.374
255 H ARG 39 H ARG 39 -1.553 -4.983 4.999
256 HA ARG 39 HA ARG 39 -0.235 -3.610 2.711
257 1HB ARG 39 1HB ARG 39 1.161 -5.768 2.922
258 2HB ARG 39 2HB ARG 39 -0.270 -6.722 2.575
259 1HG ARG 39 1HG ARG 39 -0.473 -5.597 0.327
260 2HG ARG 39 2HG ARG 39 0.867 -4.530 0.706
261 1HD ARG 39 1HD ARG 39 1.104 -7.609 0.503
262 2HD ARG 39 2HD ARG 39 1.400 -6.492 -0.833
263 1HH1 ARG 39 2HH2 ARG 39 2.860 -8.301 -0.972
264 2HH1 ARG 39 1HH2 ARG 39 4.669 -8.587 -0.852
265 1HH2 ARG 39 1HH1 ARG 39 5.138 -6.081 1.462
266 2HH2 ARG 39 2HH1 ARG 39 5.868 -7.413 0.433
267 H LEU 40 H LEU 40 -2.268 -6.532 2.673
268 HA LEU 40 HA LEU 40 -4.443 -6.998 1.809
269 1HB LEU 40 1HB LEU 40 -5.228 -5.058 3.356
270 2HB LEU 40 2HB LEU 40 -5.003 -3.946 2.026
271 HG LEU 40 HG LEU 40 -6.717 -5.283 0.669
272 1HD1 LEU 40 1HD1 LEU 40 -7.286 -6.668 3.380
273 2HD1 LEU 40 2HD1 LEU 40 -8.316 -6.765 1.929
274 3HD1 LEU 40 3HD1 LEU 40 -6.691 -7.465 1.903
275 1HD2 LEU 40 2HD2 LEU 40 -7.298 -3.139 1.796
276 2HD2 LEU 40 3HD2 LEU 40 -8.672 -4.257 1.843
277 3HD2 LEU 40 1HD2 LEU 40 -7.687 -4.000 3.305
278 H ILE 41 H ILE 41 -4.229 -3.824 0.243
279 HA ILE 41 HA ILE 41 -2.702 -5.049 -2.105
280 HB ILE 41 HB ILE 41 -3.760 -3.328 -3.706
281 1HG1 ILE 41 1HG1 ILE 41 -6.031 -3.103 -1.613
282 2HG1 ILE 41 2HG1 ILE 41 -4.840 -1.850 -1.909
283 1HG2 ILE 41 1HG2 ILE 41 -4.345 -5.824 -3.651
284 2HG2 ILE 41 2HG2 ILE 41 -5.685 -5.485 -2.529
285 3HG2 ILE 41 3HG2 ILE 41 -5.711 -4.842 -4.188
286 1HD1 ILE 41 2HD1 ILE 41 -5.588 -1.621 -4.302
287 2HD1 ILE 41 3HD1 ILE 41 -6.869 -2.827 -3.999
288 3HD1 ILE 41 1HD1 ILE 41 -6.875 -1.283 -3.120
289 H MET 42 H MET 42 -0.860 -3.991 -2.410
290 HA MET 42 HA MET 42 -0.035 -1.958 -0.415
291 1HB MET 42 1HB MET 42 1.410 -3.928 -1.431
292 2HB MET 42 2HB MET 42 1.649 -2.917 -2.837
293 1HG MET 42 1HG MET 42 2.637 -1.106 -1.233
294 2HG MET 42 2HG MET 42 2.468 -2.282 0.077
295 1HE MET 42 1HE MET 42 4.097 -1.694 -3.549
296 2HE MET 42 3HE MET 42 4.965 -0.816 -2.251
297 3HE MET 42 2HE MET 42 5.766 -2.166 -3.106
298 H GLU 43 H GLU 43 -0.204 0.139 -0.625
299 HA GLU 43 HA GLU 43 0.326 1.518 -3.308
300 1HB GLU 43 1HB GLU 43 -1.326 3.277 -2.833
301 2HB GLU 43 2HB GLU 43 -2.047 1.722 -3.158
302 1HG GLU 43 1HG GLU 43 -2.598 1.411 -0.729
303 2HG GLU 43 2HG GLU 43 -1.855 2.963 -0.334
304 HE1 GLU 43 HE2 GLU 43 -4.369 4.864 -1.973
305 H GLY 44 H GLY 44 2.182 2.389 -2.966
306 1HA GLY 44 1HA GLY 44 2.922 4.425 -1.047
307 2HA GLY 44 2HA GLY 44 3.394 2.889 -0.314
308 H LEU 45 H LEU 45 4.878 1.563 -1.438
309 HA LEU 45 HA LEU 45 6.935 1.063 -2.487
310 1HB LEU 45 1HB LEU 45 5.308 1.234 -4.506
311 2HB LEU 45 2HB LEU 45 5.823 2.890 -4.741
312 HG LEU 45 HG LEU 45 8.213 2.035 -5.127
313 1HD1 LEU 45 1HD1 LEU 45 6.878 -0.759 -5.154
314 2HD1 LEU 45 2HD1 LEU 45 8.535 -0.395 -5.697
315 3HD1 LEU 45 3HD1 LEU 45 8.104 -0.196 -3.992
316 1HD2 LEU 45 1HD2 LEU 45 6.699 2.620 -7.025
317 2HD2 LEU 45 2HD2 LEU 45 7.754 1.260 -7.454
318 3HD2 LEU 45 3HD2 LEU 45 6.045 0.963 -7.047
319 H SER 46 H SER 46 8.125 2.092 -0.947
320 HA SER 46 HA SER 46 9.962 4.253 -1.892
321 1HB SER 46 1HB SER 46 9.585 5.806 0.057
322 2HB SER 46 2HB SER 46 8.201 5.748 -1.026
323 HG SER 46 HG SER 46 7.612 5.640 1.149
324 H PHE 47 H PHE 47 11.677 3.034 -1.511
325 HA PHE 47 HA PHE 47 13.338 1.628 -0.559
326 1HB PHE 47 1HB PHE 47 13.362 3.268 1.363
327 2HB PHE 47 2HB PHE 47 12.049 2.451 2.158
328 HD1 PHE 47 HD2 PHE 47 15.584 1.837 0.924
329 HD2 PHE 47 HD1 PHE 47 12.526 0.723 3.741
330 HE1 PHE 47 HE2 PHE 47 17.185 0.389 2.108
331 HE2 PHE 47 HE1 PHE 47 14.137 -0.724 4.904
332 HZ PHE 47 HZ PHE 47 16.466 -0.895 4.095
333 H ALA 48 H ALA 48 12.693 -0.200 -1.474
334 HA ALA 48 HA ALA 48 11.832 -2.401 -1.820
335 1HB ALA 48 2HB ALA 48 13.270 -2.770 0.251
336 2HB ALA 48 3HB ALA 48 11.880 -2.415 1.305
337 3HB ALA 48 1HB ALA 48 11.862 -3.846 0.252
338 HXT ALA 48 HO ALA 48 8.447 -1.591 -1.927
No H/Q in entry = 338
Start of MODEL 7
Raw file had 348 H/Q atoms
Start of MODEL 7
1 1H GLU 1 2H GLU 1 16.189 11.119 4.249
2 2H GLU 1 3H GLU 1 15.042 10.465 3.255
3 3H GLU 1 1H GLU 1 15.588 12.002 2.988
4 HA GLU 1 HA GLU 1 14.638 12.792 5.079
5 1HB GLU 1 1HB GLU 1 12.726 11.313 3.138
6 2HB GLU 1 2HB GLU 1 12.121 12.286 4.454
7 1HG GLU 1 1HG GLU 1 13.905 13.390 2.197
8 2HG GLU 1 2HG GLU 1 12.152 13.461 2.229
9 HE1 GLU 1 HE2 GLU 1 11.910 15.923 4.693
10 H ASP 2 H ASP 2 14.666 12.074 7.062
11 HA ASP 2 HA ASP 2 13.614 9.289 7.839
12 1HB ASP 2 1HB ASP 2 15.909 10.007 8.675
13 2HB ASP 2 2HB ASP 2 15.183 11.346 9.543
14 HD2 ASP 2 HD2 ASP 2 14.061 10.953 11.269
15 H ASN 3 H ASN 3 11.433 9.549 7.741
16 HA ASN 3 HA ASN 3 9.920 10.627 9.790
17 1HB ASN 3 1HB ASN 3 8.575 12.363 8.794
18 2HB ASN 3 2HB ASN 3 10.151 12.939 9.262
19 1HD2 ASN 3 1HD2 ASN 3 9.010 13.865 5.527
20 2HD2 ASN 3 2HD2 ASN 3 7.903 13.204 6.832
21 H CYS 4 H CYS 4 9.391 8.771 9.309
22 HA CYS 4 HA CYS 4 7.277 8.088 7.122
23 1HB CYS 4 1HB CYS 4 8.049 5.948 7.077
24 2HB CYS 4 2HB CYS 4 9.212 6.924 6.320
25 H ILE 5 H ILE 5 6.147 5.960 7.639
26 HA ILE 5 HA ILE 5 5.346 5.927 10.664
27 HB ILE 5 HB ILE 5 3.318 4.624 8.712
28 1HG1 ILE 5 1HG1 ILE 5 3.482 7.075 7.961
29 2HG1 ILE 5 2HG1 ILE 5 2.022 6.538 8.580
30 1HG2 ILE 5 3HG2 ILE 5 3.188 5.575 11.615
31 2HG2 ILE 5 1HG2 ILE 5 1.822 5.037 10.621
32 3HG2 ILE 5 2HG2 ILE 5 3.130 3.919 10.985
33 1HD1 ILE 5 2HD1 ILE 5 2.947 7.586 10.882
34 2HD1 ILE 5 3HD1 ILE 5 4.136 8.337 9.771
35 3HD1 ILE 5 1HD1 ILE 5 2.364 8.625 9.562
36 H ALA 6 H ALA 6 6.924 4.479 11.159
37 HA ALA 6 HA ALA 6 7.514 2.072 9.399
38 1HB ALA 6 2HB ALA 6 9.402 3.349 10.543
39 2HB ALA 6 3HB ALA 6 8.729 2.954 12.148
40 3HB ALA 6 1HB ALA 6 9.378 1.668 11.105
41 H GLU 7 H GLU 7 5.118 2.521 11.120
42 HA GLU 7 HA GLU 7 4.884 -0.021 12.780
43 1HB GLU 7 2HB GLU 7 3.454 2.686 12.856
44 2HB GLU 7 1HB GLU 7 2.950 1.342 13.843
45 1HG GLU 7 1HG GLU 7 4.180 2.599 15.335
46 2HG GLU 7 2HG GLU 7 5.268 1.284 14.932
47 HE1 GLU 7 HE2 GLU 7 5.994 5.071 13.548
48 H ASP 8 H ASP 8 3.033 -1.006 13.176
49 HA ASP 8 HA ASP 8 1.085 -1.234 10.822
50 1HB ASP 8 1HB ASP 8 1.007 -3.328 12.975
51 2HB ASP 8 2HB ASP 8 0.467 -3.403 11.308
52 HD1 ASP 8 HD2 ASP 8 2.476 -2.614 9.934
53 H TYR 9 H TYR 9 -0.654 -0.465 11.361
54 HA TYR 9 HA TYR 9 -2.281 1.083 12.318
55 1HB TYR 9 1HB TYR 9 -1.836 -0.611 14.896
56 2HB TYR 9 2HB TYR 9 -3.202 0.415 14.560
57 HD1 TYR 9 HD1 TYR 9 -4.763 -0.161 12.535
58 HD2 TYR 9 HD2 TYR 9 -1.777 -2.908 13.972
59 HE1 TYR 9 HE1 TYR 9 -5.738 -1.959 11.168
60 HE2 TYR 9 HE2 TYR 9 -2.763 -4.690 12.604
61 HH TYR 9 HH TYR 9 -5.605 -4.074 10.541
62 H GLY 10 H GLY 10 0.433 1.966 12.237
63 1HA GLY 10 1HA GLY 10 0.895 3.793 14.606
64 2HA GLY 10 2HA GLY 10 1.799 3.888 13.203
65 H LYS 11 H LYS 11 0.729 5.821 14.498
66 HA LYS 11 HA LYS 11 -1.777 6.888 13.204
67 1HB LYS 11 1HB LYS 11 0.124 8.764 14.650
68 2HB LYS 11 2HB LYS 11 -1.565 8.984 14.345
69 1HG LYS 11 1HG LYS 11 -2.167 7.087 15.901
70 2HG LYS 11 2HG LYS 11 -0.462 6.894 16.316
71 1HD LYS 11 1HD LYS 11 -0.391 9.280 17.160
72 2HD LYS 11 2HD LYS 11 -2.100 9.474 16.754
73 1HE LYS 11 1HE LYS 11 -2.700 7.608 18.379
74 2HE LYS 11 2HE LYS 11 -0.989 7.416 18.788
75 1HZ LYS 11 1HZ LYS 11 -0.961 9.684 19.593
76 2HZ LYS 11 2HZ LYS 11 -2.096 8.805 20.374
77 H CYS 12 H CYS 12 -1.892 7.855 11.588
78 HA CYS 12 HA CYS 12 0.287 9.237 9.863
79 1HB CYS 12 1HB CYS 12 0.171 7.693 8.089
80 2HB CYS 12 2HB CYS 12 0.260 6.708 9.518
81 H THR 13 H THR 13 -0.790 9.622 7.646
82 HA THR 13 HA THR 13 -3.728 10.485 7.858
83 HB THR 13 HB THR 13 -3.561 12.693 8.075
84 HG1 THR 13 HG1 THR 13 -2.254 14.023 6.771
85 1HG2 THR 13 2HG2 THR 13 -1.559 12.401 9.673
86 2HG2 THR 13 3HG2 THR 13 -0.439 12.519 8.286
87 3HG2 THR 13 1HG2 THR 13 -1.420 13.920 8.768
88 H TRP 14 H TRP 14 -4.663 11.081 6.062
89 HA TRP 14 HA TRP 14 -3.614 10.018 3.385
90 1HB TRP 14 1HB TRP 14 -6.398 11.128 4.122
91 2HB TRP 14 2HB TRP 14 -5.921 10.677 2.502
92 HD1 TRP 14 HD1 TRP 14 -4.475 7.769 3.130
93 HE1 TRP 14 HE1 TRP 14 -6.008 5.676 3.565
94 HE3 TRP 14 HE3 TRP 14 -8.618 10.372 4.634
95 HZ2 TRP 14 HZ2 TRP 14 -8.711 5.371 4.447
96 HZ3 TRP 14 HZ3 TRP 14 -10.649 9.113 5.261
97 HH2 TRP 14 HH2 TRP 14 -10.696 6.654 5.168
98 H GLY 15 H GLY 15 -2.341 11.448 2.454
99 1HA GLY 15 1HA GLY 15 -1.621 13.574 1.421
100 2HA GLY 15 2HA GLY 15 -2.950 14.431 2.204
101 H GLY 16 H GLY 16 -0.120 12.491 2.976
102 1HA GLY 16 1HA GLY 16 1.178 14.209 5.094
103 2HA GLY 16 2HA GLY 16 0.068 13.032 5.752
104 H THR 17 H THR 17 1.800 12.233 6.664
105 HA THR 17 HA THR 17 3.893 10.652 5.200
106 HB THR 17 HB THR 17 3.179 9.692 8.016
107 HG1 THR 17 HG1 THR 17 4.590 12.111 7.404
108 1HG2 THR 17 3HG2 THR 17 5.868 10.223 6.579
109 2HG2 THR 17 1HG2 THR 17 5.670 9.591 8.230
110 3HG2 THR 17 2HG2 THR 17 5.088 8.656 6.857
111 H LYS 18 H LYS 18 3.826 8.689 4.646
112 HA LYS 18 HA LYS 18 1.473 6.741 5.107
113 1HB LYS 18 1HB LYS 18 3.214 6.349 2.690
114 2HB LYS 18 2HB LYS 18 1.654 5.734 3.038
115 1HG LYS 18 1HG LYS 18 2.141 8.644 2.189
116 2HG LYS 18 2HG LYS 18 1.557 7.346 1.162
117 1HD LYS 18 1HD LYS 18 -0.539 7.119 2.529
118 2HD LYS 18 2HD LYS 18 0.060 8.289 3.690
119 1HE LYS 18 1HE LYS 18 -1.527 9.459 2.345
120 2HE LYS 18 2HE LYS 18 0.054 10.106 1.922
121 1HZ LYS 18 1HZ LYS 18 0.032 8.716 -0.062
122 2HZ LYS 18 2HZ LYS 18 -1.266 9.709 -0.024
123 H CYS 19 H CYS 19 2.445 4.615 4.620
124 HA CYS 19 HA CYS 19 4.183 4.335 7.041
125 1HB CYS 19 1HB CYS 19 2.783 2.230 5.307
126 2HB CYS 19 2HB CYS 19 3.842 1.767 6.698
127 H CYS 20 H CYS 20 6.068 3.464 7.209
128 HA CYS 20 HA CYS 20 7.964 4.635 5.795
129 1HB CYS 20 1HB CYS 20 8.060 3.624 8.128
130 2HB CYS 20 2HB CYS 20 8.682 2.115 7.460
131 H ARG 21 H ARG 21 7.371 1.170 5.526
132 HA ARG 21 HA ARG 21 9.760 0.657 3.685
133 1HB ARG 21 1HB ARG 21 9.158 -0.748 5.847
134 2HB ARG 21 2HB ARG 21 7.773 -1.375 4.968
135 1HG ARG 21 1HG ARG 21 9.419 -2.393 3.271
136 2HG ARG 21 2HG ARG 21 10.753 -1.741 4.222
137 1HD ARG 21 1HD ARG 21 10.045 -3.120 6.203
138 2HD ARG 21 2HD ARG 21 8.619 -3.701 5.345
139 1HH1 ARG 21 2HH2 ARG 21 8.261 -4.907 3.592
140 2HH1 ARG 21 1HH2 ARG 21 8.843 -6.391 2.682
141 1HH2 ARG 21 1HH1 ARG 21 12.058 -6.141 3.905
142 2HH2 ARG 21 2HH1 ARG 21 10.860 -7.044 2.850
143 H GLY 22 H GLY 22 7.602 1.956 2.861
144 1HA GLY 22 1HA GLY 22 6.383 2.387 0.682
145 2HA GLY 22 2HA GLY 22 7.038 0.891 0.063
146 H ARG 23 H ARG 23 5.083 1.841 2.679
147 HA ARG 23 HA ARG 23 3.073 -0.438 2.220
148 1HB ARG 23 1HB ARG 23 4.236 0.850 4.726
149 2HB ARG 23 2HB ARG 23 2.761 -0.117 4.836
150 1HG ARG 23 1HG ARG 23 5.583 -0.977 4.049
151 2HG ARG 23 2HG ARG 23 4.781 -1.210 5.600
152 1HD ARG 23 1HD ARG 23 3.027 -2.699 4.500
153 2HD ARG 23 2HD ARG 23 3.827 -2.475 2.950
154 1HH1 ARG 23 2HH2 ARG 23 3.339 -3.814 6.206
155 2HH1 ARG 23 1HH2 ARG 23 4.165 -5.282 6.932
156 1HH2 ARG 23 1HH1 ARG 23 6.586 -5.395 4.478
157 2HH2 ARG 23 2HH1 ARG 23 5.891 -6.121 6.013
158 HA PRO 24 HA PRO 24 -0.157 2.795 2.043
159 1HB PRO 24 1HB PRO 24 -2.439 1.221 2.135
160 2HB PRO 24 2HB PRO 24 -1.321 1.203 0.765
161 1HG PRO 24 1HG PRO 24 -1.440 -0.775 3.103
162 2HG PRO 24 2HG PRO 24 -1.366 -1.148 1.365
163 1HD PRO 24 1HD PRO 24 0.889 -1.131 2.997
164 2HD PRO 24 2HD PRO 24 0.977 -0.689 1.265
165 H CYS 25 H CYS 25 -1.860 3.717 3.160
166 HA CYS 25 HA CYS 25 -2.225 2.995 6.117
167 1HB CYS 25 1HB CYS 25 -1.112 5.527 5.142
168 2HB CYS 25 2HB CYS 25 -2.713 5.824 5.876
169 H ARG 26 H ARG 26 -4.300 3.282 6.851
170 HA ARG 26 HA ARG 26 -6.497 4.298 5.133
171 1HB ARG 26 1HB ARG 26 -6.272 1.714 4.574
172 2HB ARG 26 2HB ARG 26 -6.857 1.435 6.212
173 1HG ARG 26 1HG ARG 26 -8.956 2.825 5.622
174 2HG ARG 26 2HG ARG 26 -8.325 2.982 3.991
175 1HD ARG 26 1HD ARG 26 -9.948 1.214 3.941
176 2HD ARG 26 2HD ARG 26 -8.380 0.467 3.705
177 1HH1 ARG 26 2HH2 ARG 26 -7.825 -1.296 4.129
178 2HH1 ARG 26 1HH2 ARG 26 -7.834 -2.747 5.252
179 1HH2 ARG 26 1HH1 ARG 26 -9.855 -1.219 7.580
180 2HH2 ARG 26 2HH1 ARG 26 -8.905 -2.704 7.071
181 H CYS 27 H CYS 27 -8.134 5.078 6.519
182 HA CYS 27 HA CYS 27 -7.033 5.645 9.031
183 1HB CYS 27 1HB CYS 27 -9.745 6.340 7.816
184 2HB CYS 27 2HB CYS 27 -9.571 6.767 9.472
185 H SER 28 H SER 28 -8.293 5.802 10.999
186 HA SER 28 HA SER 28 -8.950 3.263 12.409
187 1HB SER 28 1HB SER 28 -7.806 5.568 13.211
188 2HB SER 28 2HB SER 28 -9.456 6.174 13.338
189 HG SER 28 HG SER 28 -9.885 4.381 14.700
190 H MET 29 H MET 29 -10.837 4.079 13.981
191 HA MET 29 HA MET 29 -13.220 2.762 12.712
192 1HB MET 29 1HB MET 29 -12.719 3.956 15.539
193 2HB MET 29 2HB MET 29 -14.258 3.276 15.090
194 1HG MET 29 1HG MET 29 -11.614 1.691 15.077
195 2HG MET 29 2HG MET 29 -12.862 1.637 16.334
196 1HE MET 29 1HE MET 29 -11.771 -0.972 14.764
197 2HE MET 29 3HE MET 29 -13.013 -1.039 16.054
198 3HE MET 29 2HE MET 29 -13.307 -1.845 14.484
199 H ILE 30 H ILE 30 -12.536 6.065 13.674
200 HA ILE 30 HA ILE 30 -15.407 7.017 13.326
201 HB ILE 30 HB ILE 30 -14.349 9.404 13.646
202 1HG1 ILE 30 1HG1 ILE 30 -11.823 7.897 14.596
203 2HG1 ILE 30 2HG1 ILE 30 -11.924 8.651 13.023
204 1HG2 ILE 30 1HG2 ILE 30 -15.479 8.037 15.482
205 2HG2 ILE 30 2HG2 ILE 30 -13.918 7.289 15.898
206 3HG2 ILE 30 3HG2 ILE 30 -14.174 9.033 16.133
207 1HD1 ILE 30 2HD1 ILE 30 -12.329 10.907 14.048
208 2HD1 ILE 30 3HD1 ILE 30 -12.196 10.186 15.676
209 3HD1 ILE 30 1HD1 ILE 30 -10.798 10.176 14.580
210 H GLY 31 H GLY 31 -12.366 7.480 11.518
211 1HA GLY 31 1HA GLY 31 -12.963 7.275 8.845
212 2HA GLY 31 2HA GLY 31 -13.950 8.689 9.164
213 H THR 32 H THR 32 -12.189 9.974 10.956
214 HA THR 32 HA THR 32 -9.899 10.894 9.100
215 HB THR 32 HB THR 32 -9.879 13.040 10.423
216 HG1 THR 32 HG1 THR 32 -10.994 12.218 12.250
217 1HG2 THR 32 3HG2 THR 32 -11.157 12.962 8.232
218 2HG2 THR 32 1HG2 THR 32 -12.640 12.492 9.104
219 3HG2 THR 32 2HG2 THR 32 -11.906 14.087 9.387
220 H ASN 33 H ASN 33 -7.920 11.479 10.231
221 HA ASN 33 HA ASN 33 -6.116 11.260 11.747
222 1HB ASN 33 1HB ASN 33 -8.239 10.271 13.813
223 2HB ASN 33 2HB ASN 33 -6.555 10.274 14.131
224 1HD2 ASN 33 1HD2 ASN 33 -6.487 13.838 14.768
225 2HD2 ASN 33 2HD2 ASN 33 -5.517 12.300 14.527
226 H CYS 34 H CYS 34 -5.912 9.787 9.948
227 HA CYS 34 HA CYS 34 -6.696 7.086 10.082
228 1HB CYS 34 1HB CYS 34 -4.379 8.279 8.475
229 2HB CYS 34 2HB CYS 34 -4.823 6.603 8.226
230 H GLU 35 H GLU 35 -5.249 5.148 9.813
231 HA GLU 35 HA GLU 35 -2.689 5.253 11.474
232 1HB GLU 35 1HB GLU 35 -4.271 2.665 11.801
233 2HB GLU 35 2HB GLU 35 -3.026 3.347 12.774
234 1HG GLU 35 1HG GLU 35 -4.539 5.061 13.765
235 2HG GLU 35 2HG GLU 35 -5.885 4.433 12.814
236 HE2 GLU 35 HE2 GLU 35 -6.484 1.681 14.782
237 H CYS 36 H CYS 36 -1.657 2.882 11.237
238 HA CYS 36 HA CYS 36 -1.012 2.737 8.261
239 1HB CYS 36 1HB CYS 36 1.005 2.584 10.097
240 2HB CYS 36 2HB CYS 36 0.418 0.962 10.382
241 H THR 37 H THR 37 -1.464 1.004 6.980
242 HA THR 37 HA THR 37 -2.880 -1.467 8.158
243 HB THR 37 HB THR 37 -3.676 -1.932 5.803
244 HG1 THR 37 HG1 THR 37 -2.350 -0.369 4.762
245 1HG2 THR 37 2HG2 THR 37 -5.208 -1.042 7.606
246 2HG2 THR 37 3HG2 THR 37 -4.793 0.630 7.143
247 3HG2 THR 37 1HG2 THR 37 -5.652 -0.440 5.998
248 HA PRO 38 HA PRO 38 1.132 -3.181 6.596
249 1HB PRO 38 1HB PRO 38 1.091 -5.615 7.920
250 2HB PRO 38 2HB PRO 38 1.299 -4.069 8.749
251 1HG PRO 38 1HG PRO 38 -1.274 -5.691 8.455
252 2HG PRO 38 2HG PRO 38 -0.598 -4.981 9.938
253 1HD PRO 38 1HD PRO 38 -2.572 -3.727 8.436
254 2HD PRO 38 2HD PRO 38 -1.378 -2.787 9.358
255 H ARG 39 H ARG 39 1.871 -4.481 5.033
256 HA ARG 39 HA ARG 39 -0.062 -6.082 3.299
257 1HB ARG 39 1HB ARG 39 2.950 -5.493 2.927
258 2HB ARG 39 2HB ARG 39 1.973 -6.473 1.848
259 1HG ARG 39 1HG ARG 39 0.456 -4.442 1.445
260 2HG ARG 39 2HG ARG 39 1.583 -3.464 2.368
261 1HD ARG 39 1HD ARG 39 2.201 -4.995 -0.248
262 2HD ARG 39 2HD ARG 39 1.924 -3.258 -0.091
263 1HH1 ARG 39 2HH2 ARG 39 3.398 -3.404 -1.776
264 2HH1 ARG 39 1HH2 ARG 39 5.157 -3.010 -2.119
265 1HH2 ARG 39 1HH1 ARG 39 6.155 -3.619 1.122
266 2HH2 ARG 39 2HH1 ARG 39 6.614 -3.125 -0.584
267 H LEU 40 H LEU 40 3.142 -6.687 4.769
268 HA LEU 40 HA LEU 40 2.239 -9.515 5.614
269 1HB LEU 40 1HB LEU 40 4.168 -9.424 3.932
270 2HB LEU 40 2HB LEU 40 5.096 -8.475 5.071
271 HG LEU 40 HG LEU 40 4.952 -10.463 6.722
272 1HD1 LEU 40 1HD1 LEU 40 3.872 -11.985 4.252
273 2HD1 LEU 40 2HD1 LEU 40 4.425 -12.731 5.772
274 3HD1 LEU 40 3HD1 LEU 40 2.989 -11.696 5.772
275 1HD2 LEU 40 1HD2 LEU 40 6.997 -10.000 5.373
276 2HD2 LEU 40 2HD2 LEU 40 6.758 -11.746 5.573
277 3HD2 LEU 40 3HD2 LEU 40 6.358 -10.968 4.020
278 H ILE 41 H ILE 41 5.019 -7.759 6.928
279 HA ILE 41 HA ILE 41 3.511 -6.676 9.279
280 HB ILE 41 HB ILE 41 3.813 -9.156 9.891
281 1HG1 ILE 41 1HG1 ILE 41 5.461 -7.226 11.680
282 2HG1 ILE 41 2HG1 ILE 41 3.709 -7.224 11.581
283 1HG2 ILE 41 3HG2 ILE 41 6.113 -9.515 8.751
284 2HG2 ILE 41 1HG2 ILE 41 6.873 -8.558 10.045
285 3HG2 ILE 41 2HG2 ILE 41 6.059 -10.091 10.419
286 1HD1 ILE 41 3HD1 ILE 41 3.615 -9.599 12.443
287 2HD1 ILE 41 1HD1 ILE 41 5.389 -9.578 12.636
288 3HD1 ILE 41 2HD1 ILE 41 4.378 -8.460 13.578
289 H MET 42 H MET 42 4.475 -4.929 9.973
290 HA MET 42 HA MET 42 7.473 -4.436 9.666
291 1HB MET 42 1HB MET 42 6.404 -3.451 7.629
292 2HB MET 42 2HB MET 42 5.272 -2.525 8.602
293 1HG MET 42 1HG MET 42 7.137 -1.132 7.711
294 2HG MET 42 2HG MET 42 7.128 -1.116 9.477
295 1HE MET 42 3HE MET 42 9.664 -0.092 8.107
296 2HE MET 42 2HE MET 42 9.620 -0.396 9.870
297 3HE MET 42 1HE MET 42 10.981 -1.016 8.888
298 H GLU 43 H GLU 43 7.309 -4.976 11.854
299 HA GLU 43 HA GLU 43 7.496 -4.531 14.155
300 1HB GLU 43 1HB GLU 43 8.798 -2.635 13.230
301 2HB GLU 43 2HB GLU 43 7.375 -1.589 13.180
302 1HG GLU 43 1HG GLU 43 7.261 -1.738 15.733
303 2HG GLU 43 2HG GLU 43 8.714 -2.734 15.719
304 HE2 GLU 43 HE2 GLU 43 10.900 -0.116 15.182
305 H GLY 44 H GLY 44 6.186 -4.792 15.583
306 1HA GLY 44 1HA GLY 44 4.359 -4.702 17.150
307 2HA GLY 44 2HA GLY 44 4.285 -3.017 16.695
308 H LEU 45 H LEU 45 3.017 -6.231 15.934
309 HA LEU 45 HA LEU 45 0.775 -5.096 14.223
310 1HB LEU 45 1HB LEU 45 2.125 -7.134 13.528
311 2HB LEU 45 2HB LEU 45 1.523 -8.003 14.926
312 HG LEU 45 HG LEU 45 -0.849 -7.745 14.007
313 1HD1 LEU 45 3HD1 LEU 45 0.562 -6.664 11.471
314 2HD1 LEU 45 1HD1 LEU 45 -1.152 -7.141 11.581
315 3HD1 LEU 45 2HD1 LEU 45 -0.563 -5.754 12.507
316 1HD2 LEU 45 2HD2 LEU 45 0.473 -9.841 13.659
317 2HD2 LEU 45 3HD2 LEU 45 -0.596 -9.521 12.280
318 3HD2 LEU 45 1HD2 LEU 45 1.150 -9.187 12.147
319 H SER 46 H SER 46 -0.726 -4.183 15.424
320 HA SER 46 HA SER 46 -2.029 -5.705 17.781
321 1HB SER 46 1HB SER 46 -2.872 -3.500 18.533
322 2HB SER 46 2HB SER 46 -1.115 -3.522 18.476
323 HG SER 46 HG SER 46 -1.247 -2.460 16.445
324 H PHE 47 H PHE 47 -3.028 -7.016 16.165
325 HA PHE 47 HA PHE 47 -4.817 -5.779 14.094
326 1HB PHE 47 1HB PHE 47 -3.185 -7.783 13.789
327 2HB PHE 47 2HB PHE 47 -4.263 -8.765 14.737
328 HD1 PHE 47 HD2 PHE 47 -3.779 -6.965 11.517
329 HD2 PHE 47 HD1 PHE 47 -6.463 -9.505 13.726
330 HE1 PHE 47 HE2 PHE 47 -5.029 -7.454 9.456
331 HE2 PHE 47 HE1 PHE 47 -7.698 -9.984 11.653
332 HZ PHE 47 HZ PHE 47 -6.988 -8.962 9.517
333 H ALA 48 H ALA 48 -5.492 -8.376 16.458
334 HA ALA 48 HA ALA 48 -8.458 -7.652 16.446
335 1HB ALA 48 1HB ALA 48 -6.967 -10.037 17.763
336 2HB ALA 48 2HB ALA 48 -8.732 -9.818 17.683
337 3HB ALA 48 3HB ALA 48 -7.806 -10.063 16.191
338 HXT ALA 48 HO ALA 48 -6.680 -7.351 20.126
No H/Q in entry = 338
Start of MODEL 8
Raw file had 348 H/Q atoms
Start of MODEL 8
1 1H GLU 1 1H GLU 1 6.600 12.306 1.705
2 2H GLU 1 2H GLU 1 7.288 10.822 1.470
3 3H GLU 1 3H GLU 1 5.652 11.006 1.329
4 HA GLU 1 HA GLU 1 5.428 11.545 3.688
5 1HB GLU 1 1HB GLU 1 5.942 9.287 4.586
6 2HB GLU 1 2HB GLU 1 5.102 9.220 3.061
7 1HG GLU 1 1HG GLU 1 7.268 8.584 1.887
8 2HG GLU 1 2HG GLU 1 8.118 8.640 3.428
9 HE1 GLU 1 HE2 GLU 1 6.821 5.694 4.687
10 H ASP 2 H ASP 2 6.396 12.693 5.156
11 HA ASP 2 HA ASP 2 9.463 12.840 5.339
12 1HB ASP 2 1HB ASP 2 8.147 14.937 4.701
13 2HB ASP 2 2HB ASP 2 7.332 14.893 6.253
14 HD1 ASP 2 HD2 ASP 2 10.331 15.082 4.662
15 H ASN 3 H ASN 3 10.200 11.626 6.907
16 HA ASN 3 HA ASN 3 10.663 10.595 8.998
17 1HB ASN 3 1HB ASN 3 8.489 12.276 10.162
18 2HB ASN 3 2HB ASN 3 9.646 11.401 11.123
19 1HD2 ASN 3 1HD2 ASN 3 12.284 13.909 10.702
20 2HD2 ASN 3 2HD2 ASN 3 11.991 12.105 10.872
21 H CYS 4 H CYS 4 9.738 9.309 7.875
22 HA CYS 4 HA CYS 4 7.309 8.113 7.200
23 1HB CYS 4 1HB CYS 4 8.208 6.079 6.992
24 2HB CYS 4 2HB CYS 4 9.317 7.069 6.247
25 H ILE 5 H ILE 5 6.322 5.993 7.703
26 HA ILE 5 HA ILE 5 5.669 5.876 10.747
27 HB ILE 5 HB ILE 5 3.544 4.868 8.762
28 1HG1 ILE 5 1HG1 ILE 5 3.496 7.623 10.039
29 2HG1 ILE 5 2HG1 ILE 5 4.105 7.418 8.419
30 1HG2 ILE 5 1HG2 ILE 5 3.472 4.043 11.108
31 2HG2 ILE 5 2HG2 ILE 5 3.426 5.711 11.725
32 3HG2 ILE 5 3HG2 ILE 5 2.094 5.058 10.746
33 1HD1 ILE 5 3HD1 ILE 5 1.348 6.423 9.192
34 2HD1 ILE 5 1HD1 ILE 5 1.687 7.990 8.421
35 3HD1 ILE 5 2HD1 ILE 5 2.026 6.466 7.565
36 H ALA 6 H ALA 6 7.058 4.193 11.214
37 HA ALA 6 HA ALA 6 7.423 1.901 9.256
38 1HB ALA 6 2HB ALA 6 9.412 2.889 10.529
39 2HB ALA 6 3HB ALA 6 8.700 2.370 12.083
40 3HB ALA 6 1HB ALA 6 9.246 1.163 10.893
41 H GLU 7 H GLU 7 5.088 2.387 11.100
42 HA GLU 7 HA GLU 7 4.697 -0.191 12.661
43 1HB GLU 7 1HB GLU 7 3.178 2.469 12.610
44 2HB GLU 7 2HB GLU 7 2.786 1.157 13.693
45 1HG GLU 7 1HG GLU 7 5.002 1.293 14.818
46 2HG GLU 7 2HG GLU 7 5.511 2.591 13.741
47 HE1 GLU 7 HE2 GLU 7 3.606 5.081 15.210
48 H ASP 8 H ASP 8 2.727 -1.074 13.022
49 HA ASP 8 HA ASP 8 0.773 -1.314 10.625
50 1HB ASP 8 1HB ASP 8 0.917 -3.394 12.810
51 2HB ASP 8 2HB ASP 8 0.016 -3.421 11.312
52 HD1 ASP 8 HD2 ASP 8 1.120 -3.327 9.389
53 H TYR 9 H TYR 9 -0.806 -0.477 11.183
54 HA TYR 9 HA TYR 9 -2.298 1.259 12.047
55 1HB TYR 9 1HB TYR 9 -2.345 -0.815 14.368
56 2HB TYR 9 2HB TYR 9 -3.402 0.570 14.304
57 HD1 TYR 9 HD2 TYR 9 -4.499 0.887 11.640
58 HD2 TYR 9 HD1 TYR 9 -3.399 -2.798 13.541
59 HE1 TYR 9 HE2 TYR 9 -6.056 -0.310 10.209
60 HE2 TYR 9 HE1 TYR 9 -5.060 -3.983 12.181
61 HH TYR 9 HH TYR 9 -6.961 -2.274 9.699
62 H GLY 10 H GLY 10 0.189 1.976 12.109
63 1HA GLY 10 1HA GLY 10 1.116 3.583 14.485
64 2HA GLY 10 2HA GLY 10 1.496 3.854 12.829
65 H LYS 11 H LYS 11 1.292 6.017 13.613
66 HA LYS 11 HA LYS 11 -1.593 7.122 13.239
67 1HB LYS 11 1HB LYS 11 0.810 8.929 13.755
68 2HB LYS 11 2HB LYS 11 -0.872 9.341 13.788
69 1HG LYS 11 1HG LYS 11 -1.260 7.890 15.820
70 2HG LYS 11 2HG LYS 11 0.466 7.530 15.887
71 1HD LYS 11 1HD LYS 11 0.984 9.981 16.147
72 2HD LYS 11 2HD LYS 11 -0.725 10.382 16.079
73 1HE LYS 11 1HE LYS 11 0.568 8.583 18.251
74 2HE LYS 11 2HE LYS 11 0.293 10.314 18.421
75 1HZ LYS 11 1HZ LYS 11 -1.851 8.316 17.977
76 2HZ LYS 11 2HZ LYS 11 -2.085 9.925 18.136
77 H CYS 12 H CYS 12 -2.009 8.133 11.467
78 HA CYS 12 HA CYS 12 -0.012 8.975 9.360
79 1HB CYS 12 1HB CYS 12 -0.701 7.570 7.527
80 2HB CYS 12 2HB CYS 12 -0.676 6.415 8.839
81 H THR 13 H THR 13 -1.133 9.674 7.366
82 HA THR 13 HA THR 13 -4.003 10.560 7.682
83 HB THR 13 HB THR 13 -3.930 12.812 7.702
84 HG1 THR 13 HG1 THR 13 -1.483 12.837 6.273
85 1HG2 THR 13 2HG2 THR 13 -2.248 12.509 9.643
86 2HG2 THR 13 3HG2 THR 13 -0.901 12.628 8.475
87 3HG2 THR 13 1HG2 THR 13 -1.950 14.028 8.768
88 H TRP 14 H TRP 14 -4.891 11.001 5.790
89 HA TRP 14 HA TRP 14 -3.587 9.922 3.216
90 1HB TRP 14 1HB TRP 14 -6.491 10.812 3.751
91 2HB TRP 14 2HB TRP 14 -5.873 10.295 2.197
92 HD1 TRP 14 HD1 TRP 14 -4.226 7.740 4.436
93 HE1 TRP 14 HE1 TRP 14 -5.630 5.557 4.670
94 HE3 TRP 14 HE3 TRP 14 -8.639 9.636 2.604
95 HZ2 TRP 14 HZ2 TRP 14 -8.332 4.865 4.089
96 HZ3 TRP 14 HZ3 TRP 14 -10.606 8.142 2.496
97 HH2 TRP 14 HH2 TRP 14 -10.455 5.795 3.225
98 H GLY 15 H GLY 15 -2.228 11.371 2.590
99 1HA GLY 15 1HA GLY 15 -1.548 13.482 1.421
100 2HA GLY 15 2HA GLY 15 -2.916 14.333 2.140
101 H GLY 16 H GLY 16 -0.103 12.420 3.077
102 1HA GLY 16 1HA GLY 16 0.996 14.187 5.313
103 2HA GLY 16 2HA GLY 16 -0.036 12.903 5.838
104 H THR 17 H THR 17 1.663 12.155 6.820
105 HA THR 17 HA THR 17 3.877 10.700 5.350
106 HB THR 17 HB THR 17 3.198 9.659 8.167
107 HG1 THR 17 HG1 THR 17 4.533 12.120 7.558
108 1HG2 THR 17 2HG2 THR 17 5.145 8.778 6.736
109 2HG2 THR 17 3HG2 THR 17 5.934 10.351 6.894
110 3HG2 THR 17 1HG2 THR 17 5.569 9.359 8.327
111 H LYS 18 H LYS 18 3.893 8.738 4.816
112 HA LYS 18 HA LYS 18 1.573 6.722 5.104
113 1HB LYS 18 1HB LYS 18 3.493 6.453 2.807
114 2HB LYS 18 2HB LYS 18 1.941 5.773 3.023
115 1HG LYS 18 1HG LYS 18 2.418 8.706 2.264
116 2HG LYS 18 2HG LYS 18 1.928 7.425 1.179
117 1HD LYS 18 1HD LYS 18 0.240 8.448 3.557
118 2HD LYS 18 2HD LYS 18 0.069 8.981 1.892
119 1HE LYS 18 1HE LYS 18 -0.553 6.631 1.169
120 2HE LYS 18 2HE LYS 18 -0.385 6.066 2.836
121 1HZ LYS 18 1HZ LYS 18 -2.132 7.576 3.496
122 2HZ LYS 18 2HZ LYS 18 -2.655 6.557 2.331
123 H CYS 19 H CYS 19 2.639 4.632 4.601
124 HA CYS 19 HA CYS 19 4.335 4.293 7.087
125 1HB CYS 19 1HB CYS 19 2.786 2.275 5.420
126 2HB CYS 19 2HB CYS 19 3.912 1.767 6.730
127 H CYS 20 H CYS 20 6.194 3.542 7.239
128 HA CYS 20 HA CYS 20 8.086 4.680 5.843
129 1HB CYS 20 1HB CYS 20 8.219 3.643 8.180
130 2HB CYS 20 2HB CYS 20 8.854 2.161 7.471
131 H ARG 21 H ARG 21 7.655 1.169 5.602
132 HA ARG 21 HA ARG 21 9.900 0.877 3.536
133 1HB ARG 21 1HB ARG 21 9.873 -1.533 4.154
134 2HB ARG 21 2HB ARG 21 9.960 -0.561 5.592
135 1HG ARG 21 1HG ARG 21 7.318 -0.953 5.782
136 2HG ARG 21 2HG ARG 21 7.559 -2.159 4.533
137 1HD ARG 21 1HD ARG 21 7.569 -3.340 6.614
138 2HD ARG 21 2HD ARG 21 9.251 -3.349 6.070
139 1HH1 ARG 21 2HH2 ARG 21 8.719 -4.436 8.361
140 2HH1 ARG 21 1HH2 ARG 21 9.210 -4.113 10.100
141 1HH2 ARG 21 1HH1 ARG 21 9.507 -0.712 9.605
142 2HH2 ARG 21 2HH1 ARG 21 9.628 -2.134 10.759
143 H GLY 22 H GLY 22 7.519 1.930 2.946
144 1HA GLY 22 1HA GLY 22 6.299 2.238 0.747
145 2HA GLY 22 2HA GLY 22 6.986 0.735 0.189
146 H ARG 23 H ARG 23 4.974 1.821 2.704
147 HA ARG 23 HA ARG 23 2.953 -0.469 2.304
148 1HB ARG 23 1HB ARG 23 4.145 0.790 4.805
149 2HB ARG 23 2HB ARG 23 2.702 -0.210 4.924
150 1HG ARG 23 1HG ARG 23 5.519 -1.034 4.036
151 2HG ARG 23 2HG ARG 23 4.829 -1.182 5.636
152 1HD ARG 23 1HD ARG 23 4.700 -3.382 4.758
153 2HD ARG 23 2HD ARG 23 3.046 -2.782 4.758
154 1HH1 ARG 23 2HH2 ARG 23 1.769 -3.814 3.601
155 2HH1 ARG 23 1HH2 ARG 23 1.255 -4.358 1.925
156 1HH2 ARG 23 1HH1 ARG 23 4.177 -3.275 0.448
157 2HH2 ARG 23 2HH1 ARG 23 2.535 -4.071 0.253
158 HA PRO 24 HA PRO 24 -0.247 2.811 2.348
159 1HB PRO 24 1HB PRO 24 -2.531 1.246 2.361
160 2HB PRO 24 2HB PRO 24 -1.405 1.258 0.998
161 1HG PRO 24 1HG PRO 24 -1.548 -0.782 3.276
162 2HG PRO 24 2HG PRO 24 -1.500 -1.105 1.526
163 1HD PRO 24 1HD PRO 24 0.788 -1.168 3.103
164 2HD PRO 24 2HD PRO 24 0.839 -0.649 1.394
165 H CYS 25 H CYS 25 -2.273 3.371 3.479
166 HA CYS 25 HA CYS 25 -2.043 3.032 6.515
167 1HB CYS 25 1HB CYS 25 -1.131 5.051 6.612
168 2HB CYS 25 2HB CYS 25 -1.457 5.427 4.914
169 H ARG 26 H ARG 26 -3.867 2.748 7.473
170 HA ARG 26 HA ARG 26 -6.515 2.703 5.918
171 1HB ARG 26 1HB ARG 26 -5.475 0.635 7.965
172 2HB ARG 26 2HB ARG 26 -7.144 0.743 7.429
173 1HG ARG 26 1HG ARG 26 -6.452 0.253 5.053
174 2HG ARG 26 2HG ARG 26 -4.769 0.185 5.559
175 1HD ARG 26 1HD ARG 26 -5.531 -2.093 5.405
176 2HD ARG 26 2HD ARG 26 -5.289 -1.738 7.121
177 1HH1 ARG 26 2HH2 ARG 26 -5.895 -4.024 6.639
178 2HH1 ARG 26 1HH2 ARG 26 -7.298 -5.128 7.065
179 1HH2 ARG 26 1HH1 ARG 26 -9.609 -2.578 7.033
180 2HH2 ARG 26 2HH1 ARG 26 -9.256 -4.363 7.272
181 H CYS 27 H CYS 27 -7.910 4.081 6.926
182 HA CYS 27 HA CYS 27 -6.959 5.519 9.195
183 1HB CYS 27 1HB CYS 27 -9.816 5.627 8.064
184 2HB CYS 27 2HB CYS 27 -9.133 6.822 9.111
185 H SER 28 H SER 28 -8.405 6.078 11.090
186 HA SER 28 HA SER 28 -9.027 3.829 12.916
187 1HB SER 28 1HB SER 28 -8.320 6.408 13.362
188 2HB SER 28 2HB SER 28 -10.065 6.708 13.288
189 HG SER 28 HG SER 28 -9.306 6.266 15.351
190 H MET 29 H MET 29 -11.133 4.492 14.177
191 HA MET 29 HA MET 29 -13.226 2.790 12.834
192 1HB MET 29 1HB MET 29 -13.121 4.204 15.602
193 2HB MET 29 2HB MET 29 -14.514 3.297 15.070
194 1HG MET 29 1HG MET 29 -13.097 1.196 14.830
195 2HG MET 29 2HG MET 29 -11.696 2.108 15.416
196 1HE MET 29 2HE MET 29 -14.764 -0.002 16.388
197 2HE MET 29 1HE MET 29 -15.310 0.669 17.953
198 3HE MET 29 3HE MET 29 -15.609 1.577 16.443
199 H ILE 30 H ILE 30 -13.022 6.200 13.660
200 HA ILE 30 HA ILE 30 -15.869 6.854 12.788
201 HB ILE 30 HB ILE 30 -13.495 8.707 13.589
202 1HG1 ILE 30 1HG1 ILE 30 -16.111 8.098 15.157
203 2HG1 ILE 30 2HG1 ILE 30 -14.621 7.232 15.452
204 1HG2 ILE 30 2HG2 ILE 30 -16.477 9.435 13.032
205 2HG2 ILE 30 3HG2 ILE 30 -15.245 10.560 13.657
206 3HG2 ILE 30 1HG2 ILE 30 -15.089 9.916 12.028
207 1HD1 ILE 30 2HD1 ILE 30 -13.429 9.358 16.088
208 2HD1 ILE 30 3HD1 ILE 30 -14.962 10.253 15.902
209 3HD1 ILE 30 1HD1 ILE 30 -14.820 8.978 17.129
210 H GLY 31 H GLY 31 -12.610 7.757 11.668
211 1HA GLY 31 1HA GLY 31 -12.607 7.266 8.881
212 2HA GLY 31 2HA GLY 31 -13.691 8.652 8.981
213 H THR 32 H THR 32 -12.552 10.170 10.889
214 HA THR 32 HA THR 32 -10.015 11.256 9.579
215 HB THR 32 HB THR 32 -10.218 13.133 11.251
216 HG1 THR 32 HG1 THR 32 -12.687 11.841 11.867
217 1HG2 THR 32 3HG2 THR 32 -11.347 13.378 8.987
218 2HG2 THR 32 1HG2 THR 32 -12.852 12.695 9.657
219 3HG2 THR 32 2HG2 THR 32 -12.232 14.249 10.260
220 H ASN 33 H ASN 33 -8.196 11.665 10.804
221 HA ASN 33 HA ASN 33 -6.377 11.272 12.267
222 1HB ASN 33 1HB ASN 33 -8.313 11.369 14.190
223 2HB ASN 33 2HB ASN 33 -8.186 9.652 14.211
224 1HD2 ASN 33 1HD2 ASN 33 -5.206 11.831 15.984
225 2HD2 ASN 33 2HD2 ASN 33 -6.562 12.619 15.031
226 H CYS 34 H CYS 34 -6.385 9.938 10.152
227 HA CYS 34 HA CYS 34 -6.917 7.141 10.153
228 1HB CYS 34 1HB CYS 34 -4.912 8.585 8.385
229 2HB CYS 34 2HB CYS 34 -5.523 6.986 8.057
230 H GLU 35 H GLU 35 -5.277 5.366 9.694
231 HA GLU 35 HA GLU 35 -2.769 5.573 11.473
232 1HB GLU 35 1HB GLU 35 -4.547 3.062 11.423
233 2HB GLU 35 2HB GLU 35 -3.250 3.342 12.476
234 1HG GLU 35 1HG GLU 35 -4.396 5.136 13.738
235 2HG GLU 35 2HG GLU 35 -5.834 4.974 12.732
236 HE1 GLU 35 HE2 GLU 35 -6.925 1.981 14.105
237 H CYS 36 H CYS 36 -1.808 3.115 11.248
238 HA CYS 36 HA CYS 36 -0.900 2.934 8.284
239 1HB CYS 36 1HB CYS 36 1.031 2.884 10.217
240 2HB CYS 36 2HB CYS 36 0.393 1.270 10.530
241 H THR 37 H THR 37 -0.457 0.700 7.615
242 HA THR 37 HA THR 37 -2.255 -1.236 6.992
243 HB THR 37 HB THR 37 -0.161 -2.945 7.459
244 HG1 THR 37 HG1 THR 37 0.982 -0.446 8.104
245 1HG2 THR 37 1HG2 THR 37 -0.743 -1.612 5.313
246 2HG2 THR 37 2HG2 THR 37 0.415 -0.382 5.896
247 3HG2 THR 37 3HG2 THR 37 0.983 -2.034 5.539
248 HA PRO 38 HA PRO 38 -3.648 -4.075 10.318
249 1HB PRO 38 1HB PRO 38 -3.824 -6.481 8.986
250 2HB PRO 38 2HB PRO 38 -4.905 -5.123 8.642
251 1HG PRO 38 1HG PRO 38 -2.377 -5.932 7.107
252 2HG PRO 38 2HG PRO 38 -3.980 -5.537 6.438
253 1HD PRO 38 1HD PRO 38 -1.870 -3.658 6.654
254 2HD PRO 38 2HD PRO 38 -3.592 -3.187 6.664
255 H ARG 39 H ARG 39 -2.916 -5.566 11.770
256 HA ARG 39 HA ARG 39 -0.009 -5.609 12.209
257 1HB ARG 39 1HB ARG 39 -2.194 -7.265 13.646
258 2HB ARG 39 2HB ARG 39 -0.553 -7.010 14.212
259 1HG ARG 39 1HG ARG 39 -1.013 -4.494 14.323
260 2HG ARG 39 2HG ARG 39 -2.687 -4.822 13.902
261 1HD ARG 39 1HD ARG 39 -1.247 -5.833 16.427
262 2HD ARG 39 2HD ARG 39 -2.339 -4.460 16.348
263 1HH1 ARG 39 2HH2 ARG 39 -2.055 -6.214 18.337
264 2HH1 ARG 39 1HH2 ARG 39 -3.245 -7.284 19.235
265 1HH2 ARG 39 1HH1 ARG 39 -5.273 -7.717 16.486
266 2HH2 ARG 39 2HH1 ARG 39 -4.943 -8.077 18.254
267 H LEU 40 H LEU 40 1.396 -7.333 12.400
268 HA LEU 40 HA LEU 40 1.574 -8.963 10.051
269 1HB LEU 40 1HB LEU 40 3.564 -9.938 11.027
270 2HB LEU 40 2HB LEU 40 3.567 -8.237 11.344
271 HG LEU 40 HG LEU 40 2.702 -10.233 13.532
272 1HD1 LEU 40 2HD1 LEU 40 4.919 -10.998 12.706
273 2HD1 LEU 40 3HD1 LEU 40 5.598 -9.366 12.933
274 3HD1 LEU 40 1HD1 LEU 40 5.048 -10.318 14.335
275 1HD2 LEU 40 3HD2 LEU 40 3.945 -7.401 13.728
276 2HD2 LEU 40 1HD2 LEU 40 2.258 -7.825 14.104
277 3HD2 LEU 40 2HD2 LEU 40 3.563 -8.460 15.108
278 H ILE 41 H ILE 41 1.564 -11.098 9.643
279 HA ILE 41 HA ILE 41 0.513 -13.235 9.435
280 HB ILE 41 HB ILE 41 -0.911 -12.825 12.197
281 1HG1 ILE 41 1HG1 ILE 41 1.488 -13.057 12.675
282 2HG1 ILE 41 2HG1 ILE 41 0.642 -14.504 13.118
283 1HG2 ILE 41 2HG2 ILE 41 -0.682 -15.289 10.323
284 2HG2 ILE 41 3HG2 ILE 41 -1.366 -15.312 11.967
285 3HG2 ILE 41 1HG2 ILE 41 -2.157 -14.371 10.703
286 1HD1 ILE 41 1HD1 ILE 41 1.561 -15.685 11.048
287 2HD1 ILE 41 2HD1 ILE 41 2.440 -14.191 10.622
288 3HD1 ILE 41 3HD1 ILE 41 2.832 -15.060 12.122
289 H MET 42 H MET 42 -1.219 -13.316 8.108
290 HA MET 42 HA MET 42 -2.612 -10.939 7.309
291 1HB MET 42 1HB MET 42 -2.134 -13.085 5.942
292 2HB MET 42 2HB MET 42 -3.474 -13.881 6.755
293 1HG MET 42 1HG MET 42 -5.067 -12.190 5.734
294 2HG MET 42 2HG MET 42 -3.689 -11.343 4.994
295 1HE MET 42 2HE MET 42 -4.709 -11.583 2.567
296 2HE MET 42 1HE MET 42 -5.271 -13.130 1.867
297 3HE MET 42 3HE MET 42 -6.148 -12.405 3.247
298 H GLU 43 H GLU 43 -4.455 -10.022 7.729
299 HA GLU 43 HA GLU 43 -6.388 -9.264 8.877
300 1HB GLU 43 1HB GLU 43 -7.314 -11.681 8.716
301 2HB GLU 43 2HB GLU 43 -6.625 -12.027 10.302
302 1HG GLU 43 1HG GLU 43 -8.082 -10.171 11.279
303 2HG GLU 43 2HG GLU 43 -8.756 -9.874 9.680
304 HE1 GLU 43 HE2 GLU 43 -10.739 -12.737 9.619
305 H GLY 44 H GLY 44 -6.592 -8.256 10.804
306 1HA GLY 44 1HA GLY 44 -4.175 -7.555 12.247
307 2HA GLY 44 2HA GLY 44 -5.783 -7.076 12.733
308 H LEU 45 H LEU 45 -3.166 -9.051 13.429
309 HA LEU 45 HA LEU 45 -4.541 -10.572 15.708
310 1HB LEU 45 1HB LEU 45 -4.550 -11.799 13.472
311 2HB LEU 45 2HB LEU 45 -2.805 -11.805 13.435
312 HG LEU 45 HG LEU 45 -4.434 -13.106 15.716
313 1HD1 LEU 45 1HD1 LEU 45 -5.212 -14.088 13.560
314 2HD1 LEU 45 2HD1 LEU 45 -3.536 -14.444 13.079
315 3HD1 LEU 45 3HD1 LEU 45 -4.268 -15.279 14.473
316 1HD2 LEU 45 1HD2 LEU 45 -1.542 -13.630 14.730
317 2HD2 LEU 45 2HD2 LEU 45 -2.015 -12.920 16.292
318 3HD2 LEU 45 3HD2 LEU 45 -2.392 -14.607 15.952
319 H SER 46 H SER 46 -1.372 -10.158 14.139
320 HA SER 46 HA SER 46 0.817 -9.666 14.928
321 1HB SER 46 1HB SER 46 -0.397 -7.852 16.335
322 2HB SER 46 2HB SER 46 -0.413 -8.960 17.701
323 HG SER 46 HG SER 46 1.879 -9.117 17.438
324 H PHE 47 H PHE 47 1.654 -11.611 14.815
325 HA PHE 47 HA PHE 47 2.842 -13.559 15.442
326 1HB PHE 47 1HB PHE 47 2.363 -12.575 18.360
327 2HB PHE 47 2HB PHE 47 3.440 -13.854 17.899
328 HD1 PHE 47 HD1 PHE 47 5.544 -13.359 16.522
329 HD2 PHE 47 HD2 PHE 47 3.078 -10.220 18.129
330 HE1 PHE 47 HE1 PHE 47 7.397 -11.758 16.267
331 HE2 PHE 47 HE2 PHE 47 4.935 -8.631 17.852
332 HZ PHE 47 HZ PHE 47 7.097 -9.395 16.928
333 H ALA 48 H ALA 48 1.769 -15.327 14.937
334 HA ALA 48 HA ALA 48 -0.626 -16.326 16.586
335 1HB ALA 48 3HB ALA 48 0.360 -17.141 13.759
336 2HB ALA 48 1HB ALA 48 -1.069 -17.794 14.597
337 3HB ALA 48 2HB ALA 48 -1.024 -16.085 14.139
338 HXT ALA 48 HO ALA 48 2.451 -18.968 16.029
No H/Q in entry = 338
Start of MODEL 9
Raw file had 348 H/Q atoms
Start of MODEL 9
1 1H GLU 1 2H GLU 1 15.514 6.657 4.069
2 2H GLU 1 3H GLU 1 14.063 5.867 4.052
3 3H GLU 1 1H GLU 1 14.613 6.616 2.685
4 HA GLU 1 HA GLU 1 14.441 8.806 3.711
5 1HB GLU 1 1HB GLU 1 11.969 8.945 3.798
6 2HB GLU 1 2HB GLU 1 12.506 8.011 2.425
7 1HG GLU 1 1HG GLU 1 11.857 5.857 3.650
8 2HG GLU 1 2HG GLU 1 11.286 6.821 5.002
9 HE2 GLU 1 HE2 GLU 1 9.024 6.254 1.779
10 H ASP 2 H ASP 2 14.592 9.892 5.531
11 HA ASP 2 HA ASP 2 14.039 8.546 8.265
12 1HB ASP 2 1HB ASP 2 15.651 10.108 9.201
13 2HB ASP 2 2HB ASP 2 16.390 9.178 7.929
14 HD2 ASP 2 HD2 ASP 2 17.709 10.969 8.727
15 H ASN 3 H ASN 3 11.746 9.073 7.464
16 HA ASN 3 HA ASN 3 10.530 10.724 9.257
17 1HB ASN 3 1HB ASN 3 9.412 12.468 8.028
18 2HB ASN 3 2HB ASN 3 11.073 12.866 8.356
19 1HD2 ASN 3 1HD2 ASN 3 11.946 13.284 4.850
20 2HD2 ASN 3 2HD2 ASN 3 12.593 12.949 6.533
21 H CYS 4 H CYS 4 9.671 8.923 9.119
22 HA CYS 4 HA CYS 4 7.420 8.164 7.123
23 1HB CYS 4 1HB CYS 4 8.189 6.045 6.982
24 2HB CYS 4 2HB CYS 4 9.301 7.026 6.161
25 H ILE 5 H ILE 5 6.444 6.020 7.733
26 HA ILE 5 HA ILE 5 5.808 6.007 10.796
27 HB ILE 5 HB ILE 5 3.742 4.967 8.753
28 1HG1 ILE 5 1HG1 ILE 5 3.781 7.610 10.218
29 2HG1 ILE 5 2HG1 ILE 5 4.122 7.453 8.519
30 1HG2 ILE 5 2HG2 ILE 5 3.669 3.946 11.104
31 2HG2 ILE 5 3HG2 ILE 5 3.396 5.586 11.757
32 3HG2 ILE 5 1HG2 ILE 5 2.239 4.830 10.655
33 1HD1 ILE 5 2HD1 ILE 5 1.891 6.514 8.019
34 2HD1 ILE 5 3HD1 ILE 5 1.452 6.671 9.735
35 3HD1 ILE 5 1HD1 ILE 5 1.814 8.122 8.781
36 H ALA 6 H ALA 6 7.193 4.389 11.403
37 HA ALA 6 HA ALA 6 7.852 2.163 9.451
38 1HB ALA 6 2HB ALA 6 9.660 3.250 10.926
39 2HB ALA 6 3HB ALA 6 8.844 2.638 12.394
40 3HB ALA 6 1HB ALA 6 9.572 1.506 11.228
41 H GLU 7 H GLU 7 5.336 2.473 11.128
42 HA GLU 7 HA GLU 7 4.904 -0.435 11.988
43 1HB GLU 7 1HB GLU 7 4.205 2.250 13.372
44 2HB GLU 7 2HB GLU 7 3.327 0.837 13.837
45 1HG GLU 7 1HG GLU 7 6.365 1.169 14.120
46 2HG GLU 7 2HG GLU 7 5.176 1.325 15.397
47 HE1 GLU 7 HE2 GLU 7 4.636 -2.080 15.843
48 H ASP 8 H ASP 8 3.312 -1.524 11.912
49 HA ASP 8 HA ASP 8 0.904 -0.994 10.154
50 1HB ASP 8 1HB ASP 8 1.162 -3.220 12.175
51 2HB ASP 8 2HB ASP 8 0.087 -3.107 10.809
52 HD2 ASP 8 HD2 ASP 8 3.233 -3.712 11.737
53 H TYR 9 H TYR 9 -0.740 -0.253 10.933
54 HA TYR 9 HA TYR 9 -2.226 1.297 12.098
55 1HB TYR 9 1HB TYR 9 -1.602 -0.664 14.446
56 2HB TYR 9 2HB TYR 9 -2.878 0.517 14.464
57 HD1 TYR 9 HD2 TYR 9 -4.387 0.467 12.031
58 HD2 TYR 9 HD1 TYR 9 -2.332 -2.874 13.799
59 HE1 TYR 9 HE2 TYR 9 -5.973 -1.063 10.996
60 HE2 TYR 9 HE1 TYR 9 -3.990 -4.387 12.830
61 HH TYR 9 HH TYR 9 -6.674 -3.167 10.830
62 H GLY 10 H GLY 10 0.742 1.927 12.175
63 1HA GLY 10 1HA GLY 10 1.059 3.784 14.540
64 2HA GLY 10 2HA GLY 10 2.066 3.855 13.178
65 H LYS 11 H LYS 11 0.903 5.878 14.303
66 HA LYS 11 HA LYS 11 -1.683 6.709 12.996
67 1HB LYS 11 1HB LYS 11 -1.000 7.612 15.191
68 2HB LYS 11 2HB LYS 11 0.206 8.669 14.411
69 1HG LYS 11 1HG LYS 11 -1.697 9.859 13.232
70 2HG LYS 11 2HG LYS 11 -2.838 8.707 13.905
71 1HD LYS 11 1HD LYS 11 -3.059 10.697 15.183
72 2HD LYS 11 2HD LYS 11 -2.304 9.512 16.241
73 1HE LYS 11 1HE LYS 11 -0.035 10.606 15.840
74 2HE LYS 11 2HE LYS 11 -0.786 11.761 14.729
75 1HZ LYS 11 1HZ LYS 11 -1.485 11.460 17.599
76 2HZ LYS 11 2HZ LYS 11 -2.169 12.533 16.573
77 H CYS 12 H CYS 12 -1.979 7.814 11.589
78 HA CYS 12 HA CYS 12 0.006 8.921 9.483
79 1HB CYS 12 1HB CYS 12 -0.679 7.435 7.712
80 2HB CYS 12 2HB CYS 12 -0.552 6.350 9.070
81 H THR 13 H THR 13 -1.198 9.479 7.474
82 HA THR 13 HA THR 13 -3.983 10.618 7.875
83 HB THR 13 HB THR 13 -2.586 12.726 6.412
84 HG1 THR 13 HG1 THR 13 -1.465 12.219 8.998
85 1HG2 THR 13 2HG2 THR 13 -4.596 13.128 7.764
86 2HG2 THR 13 3HG2 THR 13 -3.656 12.848 9.279
87 3HG2 THR 13 1HG2 THR 13 -3.270 14.228 8.210
88 H TRP 14 H TRP 14 -4.923 11.165 6.029
89 HA TRP 14 HA TRP 14 -3.999 9.820 3.395
90 1HB TRP 14 1HB TRP 14 -6.824 10.765 4.183
91 2HB TRP 14 2HB TRP 14 -6.353 10.272 2.570
92 HD1 TRP 14 HD1 TRP 14 -4.598 7.677 4.750
93 HE1 TRP 14 HE1 TRP 14 -6.028 5.521 5.045
94 HE3 TRP 14 HE3 TRP 14 -9.032 9.594 2.973
95 HZ2 TRP 14 HZ2 TRP 14 -8.735 4.837 4.504
96 HZ3 TRP 14 HZ3 TRP 14 -11.008 8.107 2.898
97 HH2 TRP 14 HH2 TRP 14 -10.860 5.766 3.650
98 H GLY 15 H GLY 15 -2.624 11.267 2.756
99 1HA GLY 15 1HA GLY 15 -1.882 13.391 1.653
100 2HA GLY 15 2HA GLY 15 -3.266 14.252 2.361
101 H GLY 16 H GLY 16 -0.443 12.325 3.217
102 1HA GLY 16 1HA GLY 16 0.238 13.786 5.881
103 2HA GLY 16 2HA GLY 16 -0.487 12.245 5.867
104 H THR 17 H THR 17 1.316 11.767 7.015
105 HA THR 17 HA THR 17 3.597 10.587 5.337
106 HB THR 17 HB THR 17 3.268 9.664 8.260
107 HG1 THR 17 HG1 THR 17 4.466 12.097 7.344
108 1HG2 THR 17 2HG2 THR 17 5.094 8.654 6.827
109 2HG2 THR 17 3HG2 THR 17 5.785 10.248 6.521
110 3HG2 THR 17 1HG2 THR 17 5.754 9.576 8.166
111 H LYS 18 H LYS 18 3.715 8.482 4.955
112 HA LYS 18 HA LYS 18 1.505 6.453 5.689
113 1HB LYS 18 1HB LYS 18 2.956 6.112 3.069
114 2HB LYS 18 2HB LYS 18 1.518 5.378 3.662
115 1HG LYS 18 1HG LYS 18 0.195 7.522 3.421
116 2HG LYS 18 2HG LYS 18 1.612 8.300 2.735
117 1HD LYS 18 1HD LYS 18 0.203 7.696 0.911
118 2HD LYS 18 2HD LYS 18 1.628 6.666 0.820
119 1HE LYS 18 1HE LYS 18 0.332 4.742 1.798
120 2HE LYS 18 2HE LYS 18 -1.091 5.769 2.025
121 1HZ LYS 18 1HZ LYS 18 -1.220 4.441 0.025
122 2HZ LYS 18 2HZ LYS 18 0.165 5.072 -0.574
123 H CYS 19 H CYS 19 2.525 4.367 5.081
124 HA CYS 19 HA CYS 19 4.602 4.194 7.221
125 1HB CYS 19 1HB CYS 19 2.885 2.047 5.998
126 2HB CYS 19 2HB CYS 19 4.406 1.514 6.743
127 H CYS 20 H CYS 20 6.386 3.429 7.189
128 HA CYS 20 HA CYS 20 8.128 4.689 5.763
129 1HB CYS 20 1HB CYS 20 8.392 3.550 8.024
130 2HB CYS 20 2HB CYS 20 9.050 2.120 7.232
131 H ARG 21 H ARG 21 7.697 1.208 5.330
132 HA ARG 21 HA ARG 21 9.761 1.015 3.069
133 1HB ARG 21 1HB ARG 21 9.715 -0.591 5.193
134 2HB ARG 21 2HB ARG 21 8.244 -1.290 4.527
135 1HG ARG 21 1HG ARG 21 9.599 -2.031 2.484
136 2HG ARG 21 2HG ARG 21 11.030 -1.272 3.179
137 1HD ARG 21 1HD ARG 21 10.915 -2.839 5.165
138 2HD ARG 21 2HD ARG 21 9.419 -3.535 4.546
139 1HH1 ARG 21 2HH2 ARG 21 12.960 -2.991 4.723
140 2HH1 ARG 21 1HH2 ARG 21 14.270 -4.012 3.943
141 1HH2 ARG 21 1HH1 ARG 21 12.043 -5.703 1.923
142 2HH2 ARG 21 2HH1 ARG 21 13.781 -5.452 2.455
143 H GLY 22 H GLY 22 7.333 2.156 2.799
144 1HA GLY 22 1HA GLY 22 5.800 2.610 0.855
145 2HA GLY 22 2HA GLY 22 6.495 1.238 0.034
146 H ARG 23 H ARG 23 4.777 1.797 2.928
147 HA ARG 23 HA ARG 23 2.864 -0.553 2.440
148 1HB ARG 23 1HB ARG 23 4.165 0.598 4.930
149 2HB ARG 23 2HB ARG 23 2.834 -0.517 5.098
150 1HG ARG 23 1HG ARG 23 5.591 -1.018 3.814
151 2HG ARG 23 2HG ARG 23 5.116 -1.446 5.446
152 1HD ARG 23 1HD ARG 23 3.395 -3.073 4.576
153 2HD ARG 23 2HD ARG 23 3.797 -2.652 2.910
154 1HH1 ARG 23 2HH2 ARG 23 5.519 -2.838 1.646
155 2HH1 ARG 23 1HH2 ARG 23 6.941 -3.918 1.222
156 1HH2 ARG 23 1HH1 ARG 23 7.000 -5.412 4.332
157 2HH2 ARG 23 2HH1 ARG 23 7.727 -5.284 2.652
158 HA PRO 24 HA PRO 24 -0.255 2.699 2.389
159 1HB PRO 24 1HB PRO 24 -2.622 1.168 2.450
160 2HB PRO 24 2HB PRO 24 -1.529 1.273 1.068
161 1HG PRO 24 1HG PRO 24 -1.640 -0.912 3.193
162 2HG PRO 24 2HG PRO 24 -1.577 -1.107 1.426
163 1HD PRO 24 1HD PRO 24 0.705 -1.318 2.943
164 2HD PRO 24 2HD PRO 24 0.763 -0.541 1.335
165 H CYS 25 H CYS 25 -2.245 3.449 3.360
166 HA CYS 25 HA CYS 25 -2.383 3.141 6.392
167 1HB CYS 25 1HB CYS 25 -1.147 5.058 6.431
168 2HB CYS 25 2HB CYS 25 -1.661 5.593 4.827
169 H ARG 26 H ARG 26 -4.303 2.916 7.063
170 HA ARG 26 HA ARG 26 -6.760 3.630 5.397
171 1HB ARG 26 1HB ARG 26 -6.434 0.956 6.912
172 2HB ARG 26 2HB ARG 26 -7.932 1.563 6.238
173 1HG ARG 26 1HG ARG 26 -5.444 0.680 4.679
174 2HG ARG 26 2HG ARG 26 -6.971 -0.165 4.788
175 1HD ARG 26 1HD ARG 26 -6.465 2.509 3.335
176 2HD ARG 26 2HD ARG 26 -6.661 0.933 2.580
177 1HH1 ARG 26 2HH2 ARG 26 -7.412 3.135 1.496
178 2HH1 ARG 26 1HH2 ARG 26 -9.015 3.781 0.880
179 1HH2 ARG 26 1HH1 ARG 26 -10.861 2.071 3.232
180 2HH2 ARG 26 2HH1 ARG 26 -10.835 3.217 1.799
181 H CYS 27 H CYS 27 -8.122 4.794 6.658
182 HA CYS 27 HA CYS 27 -7.023 5.718 9.109
183 1HB CYS 27 1HB CYS 27 -9.886 6.282 8.094
184 2HB CYS 27 2HB CYS 27 -9.072 7.221 9.301
185 H SER 28 H SER 28 -8.297 6.072 11.122
186 HA SER 28 HA SER 28 -9.326 3.733 12.600
187 1HB SER 28 1HB SER 28 -9.400 6.821 13.032
188 2HB SER 28 2HB SER 28 -10.029 5.724 14.234
189 HG SER 28 HG SER 28 -7.408 5.665 13.208
190 H MET 29 H MET 29 -11.425 4.095 13.842
191 HA MET 29 HA MET 29 -13.574 3.207 12.002
192 1HB MET 29 1HB MET 29 -13.413 3.769 15.057
193 2HB MET 29 2HB MET 29 -14.918 3.336 14.302
194 1HG MET 29 1HG MET 29 -13.936 1.166 13.458
195 2HG MET 29 2HG MET 29 -12.395 1.567 14.252
196 1HE MET 29 2HE MET 29 -12.632 -0.797 15.579
197 2HE MET 29 1HE MET 29 -14.044 -1.211 16.596
198 3HE MET 29 3HE MET 29 -14.227 -1.098 14.821
199 H ILE 30 H ILE 30 -12.950 6.245 13.568
200 HA ILE 30 HA ILE 30 -15.695 7.455 13.005
201 HB ILE 30 HB ILE 30 -13.069 8.764 14.053
202 1HG1 ILE 30 1HG1 ILE 30 -15.705 8.162 15.589
203 2HG1 ILE 30 2HG1 ILE 30 -14.332 7.078 15.618
204 1HG2 ILE 30 2HG2 ILE 30 -15.934 9.972 13.814
205 2HG2 ILE 30 3HG2 ILE 30 -14.548 10.766 14.602
206 3HG2 ILE 30 1HG2 ILE 30 -14.514 10.477 12.867
207 1HD1 ILE 30 1HD1 ILE 30 -12.861 8.865 16.623
208 2HD1 ILE 30 2HD1 ILE 30 -14.278 9.945 16.722
209 3HD1 ILE 30 3HD1 ILE 30 -14.257 8.423 17.635
210 H GLY 31 H GLY 31 -12.375 8.206 11.954
211 1HA GLY 31 1HA GLY 31 -12.450 8.135 9.135
212 2HA GLY 31 2HA GLY 31 -13.399 9.587 9.438
213 H THR 32 H THR 32 -12.118 10.723 11.496
214 HA THR 32 HA THR 32 -9.470 11.720 10.317
215 HB THR 32 HB THR 32 -9.502 13.399 12.204
216 HG1 THR 32 HG1 THR 32 -12.123 12.342 12.600
217 1HG2 THR 32 3HG2 THR 32 -10.491 14.042 9.958
218 2HG2 THR 32 1HG2 THR 32 -12.095 13.471 10.489
219 3HG2 THR 32 2HG2 THR 32 -11.328 14.859 11.296
220 H ASN 33 H ASN 33 -7.648 11.763 11.616
221 HA ASN 33 HA ASN 33 -5.896 10.882 12.965
222 1HB ASN 33 1HB ASN 33 -8.196 9.735 14.739
223 2HB ASN 33 2HB ASN 33 -6.550 9.349 15.019
224 1HD2 ASN 33 1HD2 ASN 33 -5.817 12.579 16.503
225 2HD2 ASN 33 2HD2 ASN 33 -5.122 11.039 15.787
226 H CYS 34 H CYS 34 -6.053 9.915 10.726
227 HA CYS 34 HA CYS 34 -6.871 7.159 10.334
228 1HB CYS 34 1HB CYS 34 -4.718 8.640 8.775
229 2HB CYS 34 2HB CYS 34 -5.499 7.175 8.246
230 H GLU 35 H GLU 35 -5.364 5.290 9.766
231 HA GLU 35 HA GLU 35 -2.760 5.293 11.405
232 1HB GLU 35 1HB GLU 35 -4.416 2.754 11.563
233 2HB GLU 35 2HB GLU 35 -3.128 3.317 12.561
234 1HG GLU 35 1HG GLU 35 -4.533 4.984 13.725
235 2HG GLU 35 2HG GLU 35 -5.931 4.527 12.752
236 HE2 GLU 35 HE2 GLU 35 -6.617 1.592 14.423
237 H CYS 36 H CYS 36 -1.795 3.030 11.045
238 HA CYS 36 HA CYS 36 -1.280 2.776 8.021
239 1HB CYS 36 1HB CYS 36 0.501 2.273 10.465
240 2HB CYS 36 2HB CYS 36 0.788 1.251 9.158
241 H THR 37 H THR 37 -0.638 0.564 7.525
242 HA THR 37 HA THR 37 -2.490 -1.370 7.085
243 HB THR 37 HB THR 37 -0.231 -3.013 7.344
244 HG1 THR 37 HG1 THR 37 0.917 -1.590 8.640
245 1HG2 THR 37 3HG2 THR 37 -1.286 -2.059 5.253
246 2HG2 THR 37 1HG2 THR 37 -0.433 -0.538 5.531
247 3HG2 THR 37 2HG2 THR 37 0.511 -2.015 5.174
248 HA PRO 38 HA PRO 38 -3.585 -4.302 10.398
249 1HB PRO 38 1HB PRO 38 -3.680 -6.705 9.055
250 2HB PRO 38 2HB PRO 38 -4.840 -5.401 8.760
251 1HG PRO 38 1HG PRO 38 -2.329 -6.056 7.133
252 2HG PRO 38 2HG PRO 38 -3.980 -5.764 6.526
253 1HD PRO 38 1HD PRO 38 -2.013 -3.756 6.654
254 2HD PRO 38 2HD PRO 38 -3.760 -3.386 6.800
255 H ARG 39 H ARG 39 -2.756 -5.832 11.787
256 HA ARG 39 HA ARG 39 -0.029 -5.439 12.465
257 1HB ARG 39 1HB ARG 39 -1.964 -6.197 13.979
258 2HB ARG 39 2HB ARG 39 -1.843 -7.816 13.324
259 1HG ARG 39 1HG ARG 39 -0.781 -7.667 15.535
260 2HG ARG 39 2HG ARG 39 0.399 -8.116 14.326
261 1HD ARG 39 1HD ARG 39 1.403 -6.545 15.916
262 2HD ARG 39 2HD ARG 39 1.371 -5.834 14.306
263 1HH1 ARG 39 2HH2 ARG 39 2.256 -4.105 14.922
264 2HH1 ARG 39 1HH2 ARG 39 1.923 -2.373 15.428
265 1HH2 ARG 39 1HH1 ARG 39 -1.218 -3.092 16.640
266 2HH2 ARG 39 2HH1 ARG 39 0.087 -1.839 16.336
267 H LEU 40 H LEU 40 1.718 -6.066 11.656
268 HA LEU 40 HA LEU 40 2.271 -8.848 10.574
269 1HB LEU 40 1HB LEU 40 1.398 -7.324 8.676
270 2HB LEU 40 2HB LEU 40 2.734 -6.232 8.977
271 HG LEU 40 HG LEU 40 4.366 -8.017 8.276
272 1HD1 LEU 40 1HD1 LEU 40 1.864 -9.695 7.556
273 2HD1 LEU 40 2HD1 LEU 40 3.540 -10.075 7.083
274 3HD1 LEU 40 3HD1 LEU 40 3.081 -10.104 8.792
275 1HD2 LEU 40 2HD2 LEU 40 3.528 -6.325 6.638
276 2HD2 LEU 40 3HD2 LEU 40 3.849 -7.876 5.840
277 3HD2 LEU 40 1HD2 LEU 40 2.172 -7.391 6.196
278 H ILE 41 H ILE 41 4.506 -9.309 10.482
279 HA ILE 41 HA ILE 41 5.838 -8.443 12.885
280 HB ILE 41 HB ILE 41 7.945 -9.824 11.770
281 1HG1 ILE 41 1HG1 ILE 41 7.175 -11.635 10.245
282 2HG1 ILE 41 2HG1 ILE 41 5.647 -10.839 9.960
283 1HG2 ILE 41 1HG2 ILE 41 6.471 -10.563 13.673
284 2HG2 ILE 41 2HG2 ILE 41 5.221 -11.109 12.527
285 3HG2 ILE 41 3HG2 ILE 41 6.810 -11.913 12.584
286 1HD1 ILE 41 1HD1 ILE 41 8.405 -9.680 9.162
287 2HD1 ILE 41 2HD1 ILE 41 7.323 -10.598 8.088
288 3HD1 ILE 41 3HD1 ILE 41 6.808 -9.016 8.702
289 H MET 42 H MET 42 6.570 -6.532 13.194
290 HA MET 42 HA MET 42 8.773 -5.284 11.536
291 1HB MET 42 1HB MET 42 6.057 -3.841 11.950
292 2HB MET 42 2HB MET 42 7.539 -3.039 11.458
293 1HG MET 42 1HG MET 42 7.606 -4.423 9.339
294 2HG MET 42 2HG MET 42 6.066 -5.176 9.817
295 1HE MET 42 2HE MET 42 4.534 -4.465 7.957
296 2HE MET 42 1HE MET 42 4.466 -2.833 7.240
297 3HE MET 42 3HE MET 42 5.944 -3.827 7.053
298 H GLU 43 H GLU 43 10.153 -4.965 13.152
299 HA GLU 43 HA GLU 43 11.261 -3.982 14.999
300 1HB GLU 43 1HB GLU 43 8.709 -2.195 15.196
301 2HB GLU 43 2HB GLU 43 10.239 -1.869 15.972
302 1HG GLU 43 1HG GLU 43 11.382 -1.656 13.737
303 2HG GLU 43 2HG GLU 43 9.845 -1.928 12.921
304 HE2 GLU 43 HE2 GLU 43 10.786 1.697 13.641
305 H GLY 44 H GLY 44 11.339 -3.717 17.279
306 1HA GLY 44 1HA GLY 44 9.296 -5.254 18.985
307 2HA GLY 44 2HA GLY 44 10.867 -4.690 19.518
308 H LEU 45 H LEU 45 7.669 -3.558 18.500
309 HA LEU 45 HA LEU 45 7.969 -1.014 20.197
310 1HB LEU 45 1HB LEU 45 8.465 -0.708 17.671
311 2HB LEU 45 2HB LEU 45 6.826 -1.152 17.316
312 HG LEU 45 HG LEU 45 7.282 1.249 17.187
313 1HD1 LEU 45 2HD1 LEU 45 4.932 0.576 17.760
314 2HD1 LEU 45 3HD1 LEU 45 5.284 0.831 19.487
315 3HD1 LEU 45 1HD1 LEU 45 5.354 2.195 18.349
316 1HD2 LEU 45 1HD2 LEU 45 9.047 1.455 18.964
317 2HD2 LEU 45 2HD2 LEU 45 7.798 2.710 19.096
318 3HD2 LEU 45 3HD2 LEU 45 7.792 1.335 20.223
319 H SER 46 H SER 46 5.285 -2.127 18.136
320 HA SER 46 HA SER 46 3.567 -2.607 20.671
321 1HB SER 46 1HB SER 46 2.725 -0.799 19.133
322 2HB SER 46 2HB SER 46 2.636 -1.950 17.795
323 HG SER 46 HG SER 46 0.684 -1.651 18.966
324 H PHE 47 H PHE 47 4.666 -4.567 20.884
325 HA PHE 47 HA PHE 47 5.247 -6.844 20.666
326 1HB PHE 47 1HB PHE 47 2.642 -7.032 20.681
327 2HB PHE 47 2HB PHE 47 2.652 -7.071 18.939
328 HD1 PHE 47 HD2 PHE 47 3.978 -8.842 22.008
329 HD2 PHE 47 HD1 PHE 47 3.042 -9.227 17.823
330 HE1 PHE 47 HE2 PHE 47 4.355 -11.270 22.136
331 HE2 PHE 47 HE1 PHE 47 3.424 -11.652 17.973
332 HZ PHE 47 HZ PHE 47 4.083 -12.678 20.123
333 H ALA 48 H ALA 48 3.905 -7.063 17.408
334 HA ALA 48 HA ALA 48 6.394 -6.018 16.095
335 1HB ALA 48 1HB ALA 48 7.042 -8.436 16.580
336 2HB ALA 48 2HB ALA 48 5.625 -9.006 15.665
337 3HB ALA 48 3HB ALA 48 6.934 -8.113 14.846
338 HXT ALA 48 HO ALA 48 3.113 -7.207 13.979
No H/Q in entry = 338
Start of MODEL 10
Raw file had 348 H/Q atoms
Start of MODEL 10
1 1H GLU 1 3H GLU 1 6.714 14.575 14.374
2 2H GLU 1 1H GLU 1 8.118 14.202 15.161
3 3H GLU 1 2H GLU 1 7.779 15.772 14.775
4 HA GLU 1 HA GLU 1 7.904 15.297 12.397
5 1HB GLU 1 1HB GLU 1 9.945 15.999 13.831
6 2HB GLU 1 2HB GLU 1 10.434 14.324 13.935
7 1HG GLU 1 1HG GLU 1 10.141 15.976 11.330
8 2HG GLU 1 2HG GLU 1 11.635 15.768 12.219
9 HE2 GLU 1 HE2 GLU 1 10.820 13.258 9.389
10 H ASP 2 H ASP 2 7.204 13.770 11.104
11 HA ASP 2 HA ASP 2 8.031 10.823 11.506
12 1HB ASP 2 1HB ASP 2 5.315 11.889 10.483
13 2HB ASP 2 2HB ASP 2 5.872 10.253 10.204
14 HD1 ASP 2 HD2 ASP 2 6.106 8.901 11.777
15 H ASN 3 H ASN 3 9.652 10.711 10.127
16 HA ASN 3 HA ASN 3 9.608 11.817 7.339
17 1HB ASN 3 1HB ASN 3 11.788 10.629 7.091
18 2HB ASN 3 2HB ASN 3 11.794 11.686 8.466
19 1HD2 ASN 3 1HD2 ASN 3 12.559 8.991 10.757
20 2HD2 ASN 3 2HD2 ASN 3 12.031 10.738 10.566
21 H CYS 4 H CYS 4 9.108 9.052 8.775
22 HA CYS 4 HA CYS 4 7.308 7.849 6.693
23 1HB CYS 4 1HB CYS 4 8.144 5.760 6.587
24 2HB CYS 4 2HB CYS 4 9.131 6.690 5.623
25 H ILE 5 H ILE 5 6.239 5.888 7.430
26 HA ILE 5 HA ILE 5 5.893 5.922 10.554
27 HB ILE 5 HB ILE 5 3.479 5.355 8.703
28 1HG1 ILE 5 1HG1 ILE 5 4.212 7.821 10.302
29 2HG1 ILE 5 2HG1 ILE 5 4.326 7.698 8.551
30 1HG2 ILE 5 2HG2 ILE 5 3.366 4.151 10.911
31 2HG2 ILE 5 3HG2 ILE 5 3.601 5.686 11.778
32 3HG2 ILE 5 1HG2 ILE 5 2.162 5.394 10.789
33 1HD1 ILE 5 3HD1 ILE 5 1.772 7.442 10.138
34 2HD1 ILE 5 1HD1 ILE 5 2.293 8.912 9.334
35 3HD1 ILE 5 2HD1 ILE 5 1.951 7.454 8.347
36 H ALA 6 H ALA 6 7.302 4.243 10.796
37 HA ALA 6 HA ALA 6 7.243 1.817 9.005
38 1HB ALA 6 2HB ALA 6 9.433 2.783 9.948
39 2HB ALA 6 3HB ALA 6 8.909 2.376 11.603
40 3HB ALA 6 1HB ALA 6 9.241 1.088 10.420
41 H GLU 7 H GLU 7 5.231 2.548 11.114
42 HA GLU 7 HA GLU 7 4.953 0.187 12.925
43 1HB GLU 7 1HB GLU 7 3.333 2.735 12.589
44 2HB GLU 7 2HB GLU 7 3.051 1.606 13.889
45 1HG GLU 7 1HG GLU 7 5.611 3.278 13.521
46 2HG GLU 7 2HG GLU 7 4.305 3.591 14.646
47 HE2 GLU 7 HE2 GLU 7 7.154 0.876 15.457
48 H ASP 8 H ASP 8 3.155 -0.829 13.490
49 HA ASP 8 HA ASP 8 1.167 -1.441 11.241
50 1HB ASP 8 1HB ASP 8 1.122 -3.200 13.677
51 2HB ASP 8 2HB ASP 8 0.676 -3.555 12.015
52 HD1 ASP 8 HD2 ASP 8 2.656 -3.051 10.564
53 H TYR 9 H TYR 9 -0.547 -0.587 11.658
54 HA TYR 9 HA TYR 9 -2.177 1.079 12.392
55 1HB TYR 9 1HB TYR 9 -1.781 -0.227 15.184
56 2HB TYR 9 2HB TYR 9 -3.161 0.686 14.647
57 HD1 TYR 9 HD2 TYR 9 -4.183 -0.327 12.193
58 HD2 TYR 9 HD1 TYR 9 -2.183 -2.579 15.271
59 HE1 TYR 9 HE2 TYR 9 -5.220 -2.397 11.378
60 HE2 TYR 9 HE1 TYR 9 -3.289 -4.624 14.481
61 HH TYR 9 HH TYR 9 -5.587 -4.534 11.751
62 H GLY 10 H GLY 10 0.632 1.921 12.398
63 1HA GLY 10 1HA GLY 10 1.022 3.966 14.558
64 2HA GLY 10 2HA GLY 10 1.848 4.050 13.121
65 H LYS 11 H LYS 11 0.593 5.895 14.448
66 HA LYS 11 HA LYS 11 -1.939 6.758 13.056
67 1HB LYS 11 1HB LYS 11 -0.221 8.692 14.642
68 2HB LYS 11 2HB LYS 11 -1.849 8.961 14.155
69 1HG LYS 11 1HG LYS 11 -1.006 6.863 16.231
70 2HG LYS 11 2HG LYS 11 -1.754 8.409 16.566
71 1HD LYS 11 1HD LYS 11 -3.080 6.064 15.059
72 2HD LYS 11 2HD LYS 11 -3.344 6.499 16.740
73 1HE LYS 11 1HE LYS 11 -4.311 8.751 16.010
74 2HE LYS 11 2HE LYS 11 -4.104 8.275 14.319
75 1HZ LYS 11 1HZ LYS 11 -5.755 6.812 16.300
76 2HZ LYS 11 2HZ LYS 11 -5.562 6.381 14.735
77 H CYS 12 H CYS 12 -2.064 7.715 11.474
78 HA CYS 12 HA CYS 12 0.130 9.111 9.790
79 1HB CYS 12 1HB CYS 12 -0.284 7.640 7.863
80 2HB CYS 12 2HB CYS 12 0.062 6.618 9.245
81 H THR 13 H THR 13 -0.922 9.606 7.606
82 HA THR 13 HA THR 13 -3.742 10.799 7.894
83 HB THR 13 HB THR 13 -2.325 12.928 6.638
84 HG1 THR 13 HG1 THR 13 -0.825 12.014 8.904
85 1HG2 THR 13 2HG2 THR 13 -4.025 13.280 8.389
86 2HG2 THR 13 3HG2 THR 13 -2.853 12.750 9.655
87 3HG2 THR 13 1HG2 THR 13 -2.549 14.226 8.697
88 H TRP 14 H TRP 14 -4.666 11.435 6.108
89 HA TRP 14 HA TRP 14 -3.770 10.305 3.380
90 1HB TRP 14 1HB TRP 14 -6.569 11.254 4.261
91 2HB TRP 14 2HB TRP 14 -6.129 10.896 2.605
92 HD1 TRP 14 HD1 TRP 14 -4.430 8.022 3.336
93 HE1 TRP 14 HE1 TRP 14 -5.848 5.837 3.694
94 HE3 TRP 14 HE3 TRP 14 -8.837 10.364 4.472
95 HZ2 TRP 14 HZ2 TRP 14 -8.588 5.366 4.359
96 HZ3 TRP 14 HZ3 TRP 14 -10.823 8.980 4.969
97 HH2 TRP 14 HH2 TRP 14 -10.701 6.522 4.910
98 H GLY 15 H GLY 15 -2.414 11.798 2.748
99 1HA GLY 15 1HA GLY 15 -1.702 14.008 1.809
100 2HA GLY 15 2HA GLY 15 -3.058 14.807 2.637
101 H GLY 16 H GLY 16 -0.186 12.854 3.202
102 1HA GLY 16 1HA GLY 16 0.599 14.088 5.952
103 2HA GLY 16 2HA GLY 16 -0.186 12.581 5.836
104 H THR 17 H THR 17 1.669 12.028 6.961
105 HA THR 17 HA THR 17 3.812 10.801 5.144
106 HB THR 17 HB THR 17 3.604 9.824 8.050
107 HG1 THR 17 HG1 THR 17 3.628 12.156 8.055
108 1HG2 THR 17 2HG2 THR 17 5.223 8.731 6.484
109 2HG2 THR 17 3HG2 THR 17 6.049 10.266 6.217
110 3HG2 THR 17 1HG2 THR 17 6.009 9.522 7.834
111 H LYS 18 H LYS 18 3.723 8.766 4.638
112 HA LYS 18 HA LYS 18 1.309 6.895 5.188
113 1HB LYS 18 1HB LYS 18 3.191 6.440 2.857
114 2HB LYS 18 2HB LYS 18 1.664 5.753 3.211
115 1HG LYS 18 1HG LYS 18 1.012 7.046 1.470
116 2HG LYS 18 2HG LYS 18 0.517 8.039 2.831
117 1HD LYS 18 1HD LYS 18 2.666 9.440 2.495
118 2HD LYS 18 2HD LYS 18 3.065 8.421 1.112
119 1HE LYS 18 1HE LYS 18 0.911 9.149 -0.033
120 2HE LYS 18 2HE LYS 18 0.498 10.141 1.374
121 1HZ LYS 18 1HZ LYS 18 1.526 11.459 -0.318
122 2HZ LYS 18 2HZ LYS 18 2.488 11.441 1.004
123 H CYS 19 H CYS 19 2.313 4.721 4.713
124 HA CYS 19 HA CYS 19 4.005 4.307 7.201
125 1HB CYS 19 1HB CYS 19 2.825 2.242 5.248
126 2HB CYS 19 2HB CYS 19 3.694 1.781 6.753
127 H CYS 20 H CYS 20 5.990 3.128 7.263
128 HA CYS 20 HA CYS 20 7.752 4.336 5.497
129 1HB CYS 20 1HB CYS 20 8.265 3.491 7.913
130 2HB CYS 20 2HB CYS 20 8.790 1.963 7.115
131 H ARG 21 H ARG 21 9.634 2.788 4.691
132 HA ARG 21 HA ARG 21 10.296 2.005 2.469
133 1HB ARG 21 1HB ARG 21 11.018 -0.351 2.781
134 2HB ARG 21 2HB ARG 21 11.344 0.575 4.218
135 1HG ARG 21 1HG ARG 21 9.385 -0.472 5.400
136 2HG ARG 21 2HG ARG 21 8.933 -1.346 3.940
137 1HD ARG 21 1HD ARG 21 11.150 -2.583 3.987
138 2HD ARG 21 2HD ARG 21 11.595 -1.714 5.469
139 1HH1 ARG 21 2HH2 ARG 21 12.214 -4.184 5.418
140 2HH1 ARG 21 1HH2 ARG 21 11.743 -5.672 6.384
141 1HH2 ARG 21 1HH1 ARG 21 8.552 -4.518 7.007
142 2HH2 ARG 21 2HH1 ARG 21 9.799 -5.846 7.229
143 H GLY 22 H GLY 22 7.974 2.564 2.254
144 1HA GLY 22 1HA GLY 22 6.373 2.641 0.351
145 2HA GLY 22 2HA GLY 22 7.072 1.182 -0.272
146 H ARG 23 H ARG 23 5.329 2.112 2.572
147 HA ARG 23 HA ARG 23 3.356 -0.243 2.153
148 1HB ARG 23 1HB ARG 23 4.423 1.048 4.699
149 2HB ARG 23 2HB ARG 23 3.000 0.001 4.724
150 1HG ARG 23 1HG ARG 23 5.885 -0.707 4.069
151 2HG ARG 23 2HG ARG 23 4.997 -1.011 5.557
152 1HD ARG 23 1HD ARG 23 3.426 -2.582 4.359
153 2HD ARG 23 2HD ARG 23 4.270 -2.298 2.828
154 1HH1 ARG 23 2HH2 ARG 23 3.288 -4.578 4.733
155 2HH1 ARG 23 1HH2 ARG 23 4.134 -6.127 5.234
156 1HH2 ARG 23 1HH1 ARG 23 7.283 -4.833 4.682
157 2HH2 ARG 23 2HH1 ARG 23 6.255 -6.261 5.206
158 HA PRO 24 HA PRO 24 0.130 3.030 2.048
159 1HB PRO 24 1HB PRO 24 -2.129 1.454 1.828
160 2HB PRO 24 2HB PRO 24 -0.898 1.513 0.557
161 1HG PRO 24 1HG PRO 24 -1.204 -0.605 2.751
162 2HG PRO 24 2HG PRO 24 -1.003 -0.865 1.003
163 1HD PRO 24 1HD PRO 24 1.129 -0.953 2.799
164 2HD PRO 24 2HD PRO 24 1.333 -0.420 1.103
165 H CYS 25 H CYS 25 -1.757 3.770 3.089
166 HA CYS 25 HA CYS 25 -2.205 2.867 5.986
167 1HB CYS 25 1HB CYS 25 -1.178 5.478 5.156
168 2HB CYS 25 2HB CYS 25 -2.823 5.695 5.809
169 H ARG 26 H ARG 26 -4.288 3.263 6.748
170 HA ARG 26 HA ARG 26 -6.483 4.178 4.994
171 1HB ARG 26 1HB ARG 26 -6.305 1.586 4.518
172 2HB ARG 26 2HB ARG 26 -6.836 1.339 6.178
173 1HG ARG 26 1HG ARG 26 -8.930 2.819 5.567
174 2HG ARG 26 2HG ARG 26 -8.333 2.809 3.921
175 1HD ARG 26 1HD ARG 26 -9.960 1.131 3.931
176 2HD ARG 26 2HD ARG 26 -8.458 0.207 3.976
177 1HH1 ARG 26 2HH2 ARG 26 -11.025 -0.643 3.923
178 2HH1 ARG 26 1HH2 ARG 26 -12.023 -1.737 5.008
179 1HH2 ARG 26 1HH1 ARG 26 -10.294 -0.877 7.853
180 2HH2 ARG 26 2HH1 ARG 26 -11.635 -1.857 7.076
181 H CYS 27 H CYS 27 -8.076 5.052 6.372
182 HA CYS 27 HA CYS 27 -6.960 5.664 8.869
183 1HB CYS 27 1HB CYS 27 -9.667 6.371 7.642
184 2HB CYS 27 2HB CYS 27 -9.479 6.835 9.288
185 H SER 28 H SER 28 -8.254 5.877 10.849
186 HA SER 28 HA SER 28 -8.984 3.373 12.284
187 1HB SER 28 1HB SER 28 -7.877 5.717 13.083
188 2HB SER 28 2HB SER 28 -9.548 6.279 13.168
189 HG SER 28 HG SER 28 -9.967 4.497 14.528
190 H MET 29 H MET 29 -10.926 4.153 13.769
191 HA MET 29 HA MET 29 -13.217 2.838 12.376
192 1HB MET 29 1HB MET 29 -12.396 2.809 14.975
193 2HB MET 29 2HB MET 29 -13.446 4.168 15.170
194 1HG MET 29 1HG MET 29 -14.651 2.137 15.796
195 2HG MET 29 2HG MET 29 -15.400 2.736 14.303
196 1HE MET 29 1HE MET 29 -16.490 0.317 13.870
197 2HE MET 29 3HE MET 29 -15.551 -1.205 13.850
198 3HE MET 29 2HE MET 29 -15.745 -0.297 15.379
199 H ILE 30 H ILE 30 -12.647 6.092 13.453
200 HA ILE 30 HA ILE 30 -15.486 7.078 12.973
201 HB ILE 30 HB ILE 30 -14.438 9.453 13.384
202 1HG1 ILE 30 1HG1 ILE 30 -11.937 7.926 14.372
203 2HG1 ILE 30 2HG1 ILE 30 -11.995 8.719 12.815
204 1HG2 ILE 30 1HG2 ILE 30 -15.619 8.046 15.157
205 2HG2 ILE 30 2HG2 ILE 30 -14.068 7.296 15.606
206 3HG2 ILE 30 3HG2 ILE 30 -14.338 9.034 15.865
207 1HD1 ILE 30 3HD1 ILE 30 -12.430 10.948 13.883
208 2HD1 ILE 30 1HD1 ILE 30 -12.340 10.187 15.496
209 3HD1 ILE 30 2HD1 ILE 30 -10.913 10.203 14.438
210 H GLY 31 H GLY 31 -12.380 7.487 11.280
211 1HA GLY 31 1HA GLY 31 -12.869 7.378 8.589
212 2HA GLY 31 2HA GLY 31 -13.846 8.799 8.899
213 H THR 32 H THR 32 -12.114 9.993 10.808
214 HA THR 32 HA THR 32 -9.774 10.948 9.031
215 HB THR 32 HB THR 32 -9.781 13.067 10.389
216 HG1 THR 32 HG1 THR 32 -12.280 12.053 11.316
217 1HG2 THR 32 1HG2 THR 32 -11.013 13.029 8.169
218 2HG2 THR 32 2HG2 THR 32 -12.516 12.554 9.003
219 3HG2 THR 32 3HG2 THR 32 -11.780 14.141 9.326
220 H ASN 33 H ASN 33 -7.828 11.485 10.198
221 HA ASN 33 HA ASN 33 -6.045 11.227 11.733
222 1HB ASN 33 1HB ASN 33 -8.175 10.180 13.770
223 2HB ASN 33 2HB ASN 33 -6.489 10.224 14.080
224 1HD2 ASN 33 1HD2 ASN 33 -8.581 13.701 14.473
225 2HD2 ASN 33 2HD2 ASN 33 -9.355 12.132 13.918
226 H CYS 34 H CYS 34 -5.822 9.788 9.910
227 HA CYS 34 HA CYS 34 -6.660 7.121 9.922
228 1HB CYS 34 1HB CYS 34 -4.302 8.323 8.442
229 2HB CYS 34 2HB CYS 34 -4.676 6.630 8.175
230 H GLU 35 H GLU 35 -5.239 5.129 9.702
231 HA GLU 35 HA GLU 35 -2.750 5.130 11.502
232 1HB GLU 35 1HB GLU 35 -4.329 2.567 11.746
233 2HB GLU 35 2HB GLU 35 -3.224 3.306 12.825
234 1HG GLU 35 1HG GLU 35 -4.827 4.939 13.692
235 2HG GLU 35 2HG GLU 35 -6.052 4.433 12.534
236 HE1 GLU 35 HE2 GLU 35 -5.216 2.155 15.770
237 H CYS 36 H CYS 36 -1.663 2.927 11.293
238 HA CYS 36 HA CYS 36 -0.919 2.774 8.345
239 1HB CYS 36 1HB CYS 36 1.119 2.768 10.093
240 2HB CYS 36 2HB CYS 36 0.523 1.206 10.628
241 H THR 37 H THR 37 -1.350 1.066 7.023
242 HA THR 37 HA THR 37 -2.807 -1.403 8.136
243 HB THR 37 HB THR 37 -3.266 -2.005 5.759
244 HG1 THR 37 HG1 THR 37 -2.433 0.687 5.315
245 1HG2 THR 37 2HG2 THR 37 -5.010 -0.832 7.175
246 2HG2 THR 37 3HG2 THR 37 -4.394 0.741 6.645
247 3HG2 THR 37 1HG2 THR 37 -5.142 -0.367 5.465
248 HA PRO 38 HA PRO 38 1.458 -3.147 7.337
249 1HB PRO 38 1HB PRO 38 1.280 -5.346 8.984
250 2HB PRO 38 2HB PRO 38 1.205 -3.701 9.620
251 1HG PRO 38 1HG PRO 38 -1.160 -5.551 8.998
252 2HG PRO 38 2HG PRO 38 -0.811 -4.719 10.533
253 1HD PRO 38 1HD PRO 38 -2.499 -3.656 8.592
254 2HD PRO 38 2HD PRO 38 -1.533 -2.607 9.657
255 H ARG 39 H ARG 39 -0.763 -3.711 5.343
256 HA ARG 39 HA ARG 39 -1.416 -5.209 3.604
257 1HB ARG 39 1HB ARG 39 1.537 -6.161 3.905
258 2HB ARG 39 2HB ARG 39 0.508 -6.539 2.552
259 1HG ARG 39 1HG ARG 39 1.494 -3.727 3.275
260 2HG ARG 39 2HG ARG 39 2.147 -4.761 2.028
261 1HD ARG 39 1HD ARG 39 -0.688 -3.535 2.042
262 2HD ARG 39 2HD ARG 39 0.697 -2.955 1.116
263 1HH1 ARG 39 2HH2 ARG 39 -1.503 -2.660 0.097
264 2HH1 ARG 39 1HH2 ARG 39 -2.330 -3.251 -1.431
265 1HH2 ARG 39 1HH1 ARG 39 -0.671 -6.269 -1.430
266 2HH2 ARG 39 2HH1 ARG 39 -1.888 -5.158 -2.235
267 H LEU 40 H LEU 40 -2.154 -6.091 6.160
268 HA LEU 40 HA LEU 40 -2.429 -9.090 5.782
269 1HB LEU 40 1HB LEU 40 -1.174 -7.788 8.291
270 2HB LEU 40 2HB LEU 40 -1.817 -9.411 8.292
271 HG LEU 40 HG LEU 40 0.538 -8.525 6.527
272 1HD1 LEU 40 3HD1 LEU 40 1.123 -8.358 8.937
273 2HD1 LEU 40 1HD1 LEU 40 0.580 -10.032 9.215
274 3HD1 LEU 40 2HD1 LEU 40 1.987 -9.704 8.172
275 1HD2 LEU 40 3HD2 LEU 40 -0.520 -11.368 7.152
276 2HD2 LEU 40 1HD2 LEU 40 -0.631 -10.540 5.579
277 3HD2 LEU 40 2HD2 LEU 40 0.955 -10.985 6.228
278 H ILE 41 H ILE 41 -2.995 -6.676 8.347
279 HA ILE 41 HA ILE 41 -6.012 -7.296 8.315
280 HB ILE 41 HB ILE 41 -5.881 -7.091 10.947
281 1HG1 ILE 41 1HG1 ILE 41 -2.937 -7.960 10.534
282 2HG1 ILE 41 2HG1 ILE 41 -3.398 -6.344 11.016
283 1HG2 ILE 41 3HG2 ILE 41 -6.384 -9.214 9.610
284 2HG2 ILE 41 1HG2 ILE 41 -4.644 -9.588 9.548
285 3HG2 ILE 41 2HG2 ILE 41 -5.510 -9.574 11.102
286 1HD1 ILE 41 1HD1 ILE 41 -4.514 -7.279 13.113
287 2HD1 ILE 41 2HD1 ILE 41 -3.909 -8.895 12.662
288 3HD1 ILE 41 3HD1 ILE 41 -2.764 -7.582 13.012
289 H MET 42 H MET 42 -6.868 -5.487 7.707
290 HA MET 42 HA MET 42 -5.541 -2.806 8.187
291 1HB MET 42 1HB MET 42 -7.112 -1.994 6.431
292 2HB MET 42 2HB MET 42 -6.136 -3.336 5.897
293 1HG MET 42 1HG MET 42 -8.133 -4.891 6.119
294 2HG MET 42 2HG MET 42 -9.128 -3.514 6.635
295 1HE MET 42 1HE MET 42 -10.758 -4.168 4.553
296 2HE MET 42 3HE MET 42 -10.203 -4.217 2.853
297 3HE MET 42 2HE MET 42 -9.635 -5.455 4.012
298 H GLU 43 H GLU 43 -6.306 -1.229 9.320
299 HA GLU 43 HA GLU 43 -7.450 0.102 10.873
300 1HB GLU 43 1HB GLU 43 -9.362 -0.131 9.218
301 2HB GLU 43 2HB GLU 43 -10.020 -1.502 10.116
302 1HG GLU 43 1HG GLU 43 -10.335 0.055 12.121
303 2HG GLU 43 2HG GLU 43 -9.666 1.383 11.181
304 HE1 GLU 43 HE2 GLU 43 -12.460 1.733 9.085
305 H GLY 44 H GLY 44 -7.680 0.071 12.931
306 1HA GLY 44 1HA GLY 44 -8.602 -1.891 14.828
307 2HA GLY 44 2HA GLY 44 -6.951 -2.401 14.455
308 H LEU 45 H LEU 45 -8.781 -0.385 16.381
309 HA LEU 45 HA LEU 45 -6.462 1.539 17.024
310 1HB LEU 45 1HB LEU 45 -8.054 3.223 17.405
311 2HB LEU 45 2HB LEU 45 -8.535 2.513 15.900
312 HG LEU 45 HG LEU 45 -9.939 2.005 18.606
313 1HD1 LEU 45 1HD1 LEU 45 -10.123 4.390 17.921
314 2HD1 LEU 45 2HD1 LEU 45 -10.756 3.914 16.328
315 3HD1 LEU 45 3HD1 LEU 45 -11.695 3.580 17.803
316 1HD2 LEU 45 3HD2 LEU 45 -10.835 1.219 15.755
317 2HD2 LEU 45 1HD2 LEU 45 -10.468 0.119 17.107
318 3HD2 LEU 45 2HD2 LEU 45 -11.887 1.170 17.194
319 H SER 46 H SER 46 -6.565 2.498 19.134
320 HA SER 46 HA SER 46 -6.556 2.593 21.496
321 1HB SER 46 1HB SER 46 -8.764 0.392 21.397
322 2HB SER 46 2HB SER 46 -8.300 1.340 22.804
323 HG SER 46 HG SER 46 -10.080 2.193 21.719
324 H PHE 47 H PHE 47 -4.693 1.919 22.229
325 HA PHE 47 HA PHE 47 -4.115 -1.063 22.698
326 1HB PHE 47 1HB PHE 47 -2.138 0.903 21.346
327 2HB PHE 47 2HB PHE 47 -1.770 -0.729 21.838
328 HD1 PHE 47 HD1 PHE 47 -3.147 -2.704 20.741
329 HD2 PHE 47 HD2 PHE 47 -3.101 1.297 19.150
330 HE1 PHE 47 HE1 PHE 47 -4.031 -3.532 18.597
331 HE2 PHE 47 HE2 PHE 47 -3.972 0.452 17.021
332 HZ PHE 47 HZ PHE 47 -4.471 -1.960 16.747
333 H ALA 48 H ALA 48 -3.777 -1.207 24.784
334 HA ALA 48 HA ALA 48 -2.711 1.101 26.465
335 1HB ALA 48 3HB ALA 48 -3.838 -1.664 27.303
336 2HB ALA 48 1HB ALA 48 -3.383 -0.340 28.401
337 3HB ALA 48 2HB ALA 48 -4.737 -0.126 27.277
338 HXT ALA 48 HO ALA 48 0.504 0.016 26.613
No H/Q in entry = 338
Start of MODEL 11
Raw file had 348 H/Q atoms
Start of MODEL 11
1 1H GLU 1 2H GLU 1 14.274 3.760 10.970
2 2H GLU 1 3H GLU 1 13.980 4.200 12.535
3 3H GLU 1 1H GLU 1 13.028 3.066 11.803
4 HA GLU 1 HA GLU 1 12.169 4.688 10.219
5 1HB GLU 1 1HB GLU 1 11.073 4.249 12.527
6 2HB GLU 1 2HB GLU 1 11.923 5.648 13.165
7 1HG GLU 1 1HG GLU 1 10.711 7.085 11.377
8 2HG GLU 1 2HG GLU 1 9.836 5.644 10.873
9 HE1 GLU 1 HE2 GLU 1 7.760 5.510 13.671
10 H ASP 2 H ASP 2 13.097 6.167 8.989
11 HA ASP 2 HA ASP 2 15.084 8.222 10.059
12 1HB ASP 2 1HB ASP 2 15.573 6.850 7.965
13 2HB ASP 2 2HB ASP 2 14.188 7.563 7.162
14 HD1 ASP 2 HD2 ASP 2 17.206 8.113 8.594
15 H ASN 3 H ASN 3 12.333 8.468 7.798
16 HA ASN 3 HA ASN 3 10.855 10.377 9.483
17 1HB ASN 3 1HB ASN 3 12.348 11.868 8.723
18 2HB ASN 3 2HB ASN 3 12.207 11.575 6.978
19 1HD2 ASN 3 1HD2 ASN 3 9.480 13.966 6.776
20 2HD2 ASN 3 2HD2 ASN 3 10.640 12.829 5.923
21 H CYS 4 H CYS 4 10.119 8.674 9.153
22 HA CYS 4 HA CYS 4 7.845 8.124 7.065
23 1HB CYS 4 1HB CYS 4 8.411 5.910 6.968
24 2HB CYS 4 2HB CYS 4 9.589 6.791 6.123
25 H ILE 5 H ILE 5 6.628 6.037 7.680
26 HA ILE 5 HA ILE 5 6.027 6.065 10.759
27 HB ILE 5 HB ILE 5 3.864 5.337 8.661
28 1HG1 ILE 5 1HG1 ILE 5 4.116 7.827 10.338
29 2HG1 ILE 5 2HG1 ILE 5 4.488 7.740 8.622
30 1HG2 ILE 5 2HG2 ILE 5 3.662 4.087 10.843
31 2HG2 ILE 5 3HG2 ILE 5 3.615 5.637 11.725
32 3HG2 ILE 5 1HG2 ILE 5 2.343 5.181 10.572
33 1HD1 ILE 5 3HD1 ILE 5 1.775 7.168 9.830
34 2HD1 ILE 5 1HD1 ILE 5 2.227 8.663 9.008
35 3HD1 ILE 5 2HD1 ILE 5 2.165 7.125 8.092
36 H ALA 6 H ALA 6 7.363 4.388 11.299
37 HA ALA 6 HA ALA 6 7.769 2.063 9.401
38 1HB ALA 6 2HB ALA 6 9.700 2.998 10.804
39 2HB ALA 6 3HB ALA 6 8.860 2.536 12.311
40 3HB ALA 6 1HB ALA 6 9.450 1.288 11.188
41 H GLU 7 H GLU 7 5.340 2.635 11.092
42 HA GLU 7 HA GLU 7 4.697 0.004 12.491
43 1HB GLU 7 2HB GLU 7 3.280 2.694 12.534
44 2HB GLU 7 1HB GLU 7 2.858 1.318 13.531
45 1HG GLU 7 1HG GLU 7 5.482 2.912 13.746
46 2HG GLU 7 2HG GLU 7 4.081 3.063 14.786
47 HE2 GLU 7 HE2 GLU 7 6.741 0.094 15.289
48 H ASP 8 H ASP 8 3.033 -1.159 12.389
49 HA ASP 8 HA ASP 8 1.342 -1.031 9.900
50 1HB ASP 8 1HB ASP 8 0.904 -3.418 10.329
51 2HB ASP 8 2HB ASP 8 2.637 -3.180 10.570
52 HD2 ASP 8 HD2 ASP 8 0.888 -5.163 11.423
53 H TYR 9 H TYR 9 1.144 -0.289 12.359
54 HA TYR 9 HA TYR 9 -1.758 0.584 12.487
55 1HB TYR 9 1HB TYR 9 -0.852 -0.991 15.012
56 2HB TYR 9 2HB TYR 9 -2.385 -0.176 14.825
57 HD1 TYR 9 HD1 TYR 9 -3.766 -0.891 12.543
58 HD2 TYR 9 HD2 TYR 9 -0.655 -3.317 14.233
59 HE1 TYR 9 HE1 TYR 9 -4.681 -2.853 11.414
60 HE2 TYR 9 HE2 TYR 9 -1.577 -5.274 13.106
61 HH TYR 9 HH TYR 9 -3.109 -6.040 11.709
62 H GLY 10 H GLY 10 0.660 1.868 12.177
63 1HA GLY 10 1HA GLY 10 1.287 3.805 14.382
64 2HA GLY 10 2HA GLY 10 1.622 4.073 12.722
65 H LYS 11 H LYS 11 0.983 6.111 13.819
66 HA LYS 11 HA LYS 11 -1.940 6.806 13.034
67 1HB LYS 11 1HB LYS 11 -0.064 8.880 14.191
68 2HB LYS 11 2HB LYS 11 -1.768 8.993 13.978
69 1HG LYS 11 1HG LYS 11 -0.473 7.153 16.097
70 2HG LYS 11 2HG LYS 11 -0.998 8.795 16.358
71 1HD LYS 11 1HD LYS 11 -2.756 7.581 17.229
72 2HD LYS 11 2HD LYS 11 -3.390 8.121 15.683
73 1HE LYS 11 1HE LYS 11 -2.986 5.804 14.710
74 2HE LYS 11 2HE LYS 11 -2.229 5.290 16.222
75 1HZ LYS 11 1HZ LYS 11 -4.538 4.633 16.067
76 2HZ LYS 11 2HZ LYS 11 -5.041 6.178 15.893
77 H CYS 12 H CYS 12 -2.133 7.777 11.287
78 HA CYS 12 HA CYS 12 0.096 9.046 9.598
79 1HB CYS 12 1HB CYS 12 -0.441 7.664 7.568
80 2HB CYS 12 2HB CYS 12 0.026 6.605 8.878
81 H THR 13 H THR 13 -0.854 9.760 7.468
82 HA THR 13 HA THR 13 -3.812 10.372 7.431
83 HB THR 13 HB THR 13 -3.947 12.541 7.868
84 HG1 THR 13 HG1 THR 13 -3.147 13.019 5.813
85 1HG2 THR 13 3HG2 THR 13 -0.872 12.673 8.479
86 2HG2 THR 13 1HG2 THR 13 -2.043 13.934 8.917
87 3HG2 THR 13 2HG2 THR 13 -2.139 12.338 9.687
88 H TRP 14 H TRP 14 -4.504 11.055 5.528
89 HA TRP 14 HA TRP 14 -2.951 10.205 3.015
90 1HB TRP 14 1HB TRP 14 -5.872 11.179 3.257
91 2HB TRP 14 2HB TRP 14 -5.091 10.693 1.770
92 HD1 TRP 14 HD1 TRP 14 -3.730 7.886 2.488
93 HE1 TRP 14 HE1 TRP 14 -5.139 5.729 3.036
94 HE3 TRP 14 HE3 TRP 14 -8.015 10.324 3.839
95 HZ2 TRP 14 HZ2 TRP 14 -7.820 5.322 3.956
96 HZ3 TRP 14 HZ3 TRP 14 -9.968 8.991 4.553
97 HH2 TRP 14 HH2 TRP 14 -9.866 6.542 4.632
98 H GLY 15 H GLY 15 -1.512 11.731 2.708
99 1HA GLY 15 1HA GLY 15 -1.223 14.070 1.431
100 2HA GLY 15 2HA GLY 15 -2.183 14.731 2.754
101 H GLY 16 H GLY 16 -1.247 13.160 4.815
102 1HA GLY 16 1HA GLY 16 1.383 14.298 5.782
103 2HA GLY 16 2HA GLY 16 0.297 13.181 6.566
104 H THR 17 H THR 17 2.358 12.362 7.083
105 HA THR 17 HA THR 17 3.950 10.735 5.208
106 HB THR 17 HB THR 17 3.806 9.851 8.166
107 HG1 THR 17 HG1 THR 17 5.265 11.553 8.617
108 1HG2 THR 17 1HG2 THR 17 6.216 10.228 6.228
109 2HG2 THR 17 2HG2 THR 17 6.281 9.624 7.898
110 3HG2 THR 17 3HG2 THR 17 5.464 8.688 6.660
111 H LYS 18 H LYS 18 3.960 8.634 4.849
112 HA LYS 18 HA LYS 18 1.652 6.735 5.648
113 1HB LYS 18 1HB LYS 18 3.082 6.255 3.043
114 2HB LYS 18 2HB LYS 18 1.571 5.668 3.625
115 1HG LYS 18 1HG LYS 18 0.508 7.973 3.374
116 2HG LYS 18 2HG LYS 18 1.988 8.528 2.593
117 1HD LYS 18 1HD LYS 18 1.717 6.717 0.830
118 2HD LYS 18 2HD LYS 18 0.205 6.213 1.572
119 1HE LYS 18 1HE LYS 18 0.753 9.029 0.392
120 2HE LYS 18 2HE LYS 18 -0.056 7.718 -0.461
121 1HZ LYS 18 1HZ LYS 18 -1.049 8.963 2.040
122 2HZ LYS 18 2HZ LYS 18 -1.787 7.740 1.245
123 H CYS 19 H CYS 19 2.563 4.563 5.064
124 HA CYS 19 HA CYS 19 4.646 4.384 7.225
125 1HB CYS 19 1HB CYS 19 2.791 2.266 6.091
126 2HB CYS 19 2HB CYS 19 4.204 1.718 6.938
127 H CYS 20 H CYS 20 6.370 3.527 7.217
128 HA CYS 20 HA CYS 20 8.191 4.570 5.738
129 1HB CYS 20 1HB CYS 20 8.398 3.502 8.036
130 2HB CYS 20 2HB CYS 20 8.912 1.984 7.298
131 H ARG 21 H ARG 21 7.597 1.076 5.485
132 HA ARG 21 HA ARG 21 9.574 0.730 3.165
133 1HB ARG 21 1HB ARG 21 8.128 -1.379 4.956
134 2HB ARG 21 2HB ARG 21 9.234 -1.804 3.675
135 1HG ARG 21 1HG ARG 21 10.001 -0.296 6.229
136 2HG ARG 21 2HG ARG 21 10.283 -1.989 5.903
137 1HD ARG 21 1HD ARG 21 11.589 0.353 4.342
138 2HD ARG 21 2HD ARG 21 12.331 -0.546 5.653
139 1HH1 ARG 21 2HH2 ARG 21 11.487 0.141 2.302
140 2HH1 ARG 21 1HH2 ARG 21 11.997 -0.806 0.815
141 1HH2 ARG 21 1HH1 ARG 21 12.983 -3.557 2.647
142 2HH2 ARG 21 2HH1 ARG 21 12.791 -2.769 1.001
143 H GLY 22 H GLY 22 7.146 1.875 2.910
144 1HA GLY 22 1HA GLY 22 5.700 2.247 0.870
145 2HA GLY 22 2HA GLY 22 6.291 0.746 0.216
146 H ARG 23 H ARG 23 4.573 1.771 2.981
147 HA ARG 23 HA ARG 23 2.546 -0.515 2.787
148 1HB ARG 23 1HB ARG 23 4.120 -0.458 4.836
149 2HB ARG 23 2HB ARG 23 3.779 1.033 5.027
150 1HG ARG 23 1HG ARG 23 1.465 0.502 5.887
151 2HG ARG 23 2HG ARG 23 1.533 -1.100 5.171
152 1HD ARG 23 1HD ARG 23 3.279 -0.187 7.549
153 2HD ARG 23 2HD ARG 23 1.729 -1.010 7.692
154 1HH1 ARG 23 2HH2 ARG 23 4.383 -1.304 8.930
155 2HH1 ARG 23 1HH2 ARG 23 5.425 -2.793 9.182
156 1HH2 ARG 23 1HH1 ARG 23 4.131 -4.423 6.431
157 2HH2 ARG 23 2HH1 ARG 23 5.290 -4.448 7.853
158 HA PRO 24 HA PRO 24 -0.458 3.003 2.293
159 1HB PRO 24 1HB PRO 24 -2.723 1.536 1.667
160 2HB PRO 24 2HB PRO 24 -1.359 1.695 0.550
161 1HG PRO 24 1HG PRO 24 -1.945 -0.632 2.454
162 2HG PRO 24 2HG PRO 24 -1.552 -0.716 0.719
163 1HD PRO 24 1HD PRO 24 0.352 -1.065 2.714
164 2HD PRO 24 2HD PRO 24 0.780 -0.343 1.131
165 H CYS 25 H CYS 25 -2.403 3.732 3.200
166 HA CYS 25 HA CYS 25 -2.848 2.842 6.107
167 1HB CYS 25 1HB CYS 25 -2.258 5.518 4.925
168 2HB CYS 25 2HB CYS 25 -3.699 5.520 5.989
169 H ARG 26 H ARG 26 -4.821 2.977 6.908
170 HA ARG 26 HA ARG 26 -7.280 3.338 5.197
171 1HB ARG 26 1HB ARG 26 -6.762 0.857 5.141
172 2HB ARG 26 2HB ARG 26 -6.758 0.808 6.892
173 1HG ARG 26 1HG ARG 26 -8.789 -0.129 6.164
174 2HG ARG 26 2HG ARG 26 -9.213 1.381 6.923
175 1HD ARG 26 1HD ARG 26 -8.890 1.155 3.845
176 2HD ARG 26 2HD ARG 26 -10.350 0.596 4.658
177 1HH1 ARG 26 2HH2 ARG 26 -11.079 1.504 2.746
178 2HH1 ARG 26 1HH2 ARG 26 -12.131 2.926 2.257
179 1HH2 ARG 26 1HH1 ARG 26 -11.042 4.913 4.845
180 2HH2 ARG 26 2HH1 ARG 26 -12.109 4.720 3.365
181 H CYS 27 H CYS 27 -8.589 4.690 6.401
182 HA CYS 27 HA CYS 27 -7.398 5.656 8.739
183 1HB CYS 27 1HB CYS 27 -10.037 6.339 7.426
184 2HB CYS 27 2HB CYS 27 -9.882 7.006 8.999
185 H SER 28 H SER 28 -8.661 6.268 10.681
186 HA SER 28 HA SER 28 -9.573 4.184 12.554
187 1HB SER 28 1HB SER 28 -9.664 7.307 12.424
188 2HB SER 28 2HB SER 28 -10.183 6.458 13.849
189 HG SER 28 HG SER 28 -8.170 5.426 13.953
190 H MET 29 H MET 29 -11.578 4.810 13.838
191 HA MET 29 HA MET 29 -13.780 3.459 12.443
192 1HB MET 29 1HB MET 29 -14.890 3.609 14.577
193 2HB MET 29 2HB MET 29 -13.193 3.284 14.866
194 1HG MET 29 1HG MET 29 -14.707 5.850 15.503
195 2HG MET 29 2HG MET 29 -14.072 4.677 16.639
196 1HE MET 29 3HE MET 29 -11.611 4.582 17.536
197 2HE MET 29 2HE MET 29 -11.090 3.970 15.935
198 3HE MET 29 1HE MET 29 -10.216 5.327 16.700
199 H ILE 30 H ILE 30 -13.357 6.676 13.373
200 HA ILE 30 HA ILE 30 -16.097 7.725 12.587
201 HB ILE 30 HB ILE 30 -13.500 9.367 13.126
202 1HG1 ILE 30 1HG1 ILE 30 -15.936 8.890 14.998
203 2HG1 ILE 30 2HG1 ILE 30 -14.429 8.007 15.120
204 1HG2 ILE 30 1HG2 ILE 30 -16.467 10.316 12.937
205 2HG2 ILE 30 2HG2 ILE 30 -15.088 11.346 13.392
206 3HG2 ILE 30 3HG2 ILE 30 -15.187 10.698 11.763
207 1HD1 ILE 30 1HD1 ILE 30 -13.141 10.116 15.586
208 2HD1 ILE 30 2HD1 ILE 30 -14.678 11.023 15.606
209 3HD1 ILE 30 3HD1 ILE 30 -14.387 9.741 16.799
210 H GLY 31 H GLY 31 -12.862 8.062 11.158
211 1HA GLY 31 1HA GLY 31 -13.111 7.556 8.473
212 2HA GLY 31 2HA GLY 31 -14.093 9.011 8.483
213 H THR 32 H THR 32 -12.424 10.445 10.339
214 HA THR 32 HA THR 32 -10.021 11.159 8.541
215 HB THR 32 HB THR 32 -9.910 13.316 9.846
216 HG1 THR 32 HG1 THR 32 -11.106 12.568 11.656
217 1HG2 THR 32 2HG2 THR 32 -11.145 13.281 7.631
218 2HG2 THR 32 3HG2 THR 32 -12.668 12.894 8.474
219 3HG2 THR 32 1HG2 THR 32 -11.861 14.454 8.758
220 H ASN 33 H ASN 33 -8.040 11.646 9.685
221 HA ASN 33 HA ASN 33 -6.265 11.372 11.225
222 1HB ASN 33 1HB ASN 33 -8.530 10.664 13.254
223 2HB ASN 33 2HB ASN 33 -6.896 10.369 13.646
224 1HD2 ASN 33 1HD2 ASN 33 -6.223 13.875 14.262
225 2HD2 ASN 33 2HD2 ASN 33 -5.534 12.185 14.078
226 H CYS 34 H CYS 34 -6.153 9.817 9.424
227 HA CYS 34 HA CYS 34 -6.979 7.137 9.705
228 1HB CYS 34 1HB CYS 34 -4.653 8.227 8.056
229 2HB CYS 34 2HB CYS 34 -5.010 6.513 7.933
230 H GLU 35 H GLU 35 -5.651 5.148 9.626
231 HA GLU 35 HA GLU 35 -3.065 5.272 11.283
232 1HB GLU 35 1HB GLU 35 -4.529 2.650 11.586
233 2HB GLU 35 2HB GLU 35 -3.500 3.448 12.644
234 1HG GLU 35 1HG GLU 35 -5.100 4.090 13.984
235 2HG GLU 35 2HG GLU 35 -5.708 5.210 12.802
236 HE2 GLU 35 HE2 GLU 35 -8.265 2.792 13.998
237 H CYS 36 H CYS 36 -1.909 3.203 11.032
238 HA CYS 36 HA CYS 36 -1.436 2.692 8.031
239 1HB CYS 36 1HB CYS 36 0.399 2.396 10.525
240 2HB CYS 36 2HB CYS 36 0.739 1.358 9.243
241 H THR 37 H THR 37 -1.274 0.565 7.209
242 HA THR 37 HA THR 37 -2.240 -1.785 8.875
243 HB THR 37 HB THR 37 -4.331 -0.892 8.211
244 HG1 THR 37 HG1 THR 37 -5.084 -2.632 6.964
245 1HG2 THR 37 3HG2 THR 37 -3.420 -1.044 5.226
246 2HG2 THR 37 1HG2 THR 37 -5.073 -0.698 5.784
247 3HG2 THR 37 2HG2 THR 37 -3.768 0.462 6.120
248 HA PRO 38 HA PRO 38 0.771 -3.620 5.922
249 1HB PRO 38 1HB PRO 38 0.773 -6.216 6.850
250 2HB PRO 38 2HB PRO 38 1.438 -4.866 7.786
251 1HG PRO 38 1HG PRO 38 -1.272 -6.220 8.132
252 2HG PRO 38 2HG PRO 38 -0.127 -5.709 9.394
253 1HD PRO 38 1HD PRO 38 -2.377 -4.198 8.551
254 2HD PRO 38 2HD PRO 38 -1.002 -3.479 9.355
255 H ARG 39 H ARG 39 0.475 -4.121 3.864
256 HA ARG 39 HA ARG 39 -2.255 -4.925 2.903
257 1HB ARG 39 1HB ARG 39 -0.900 -3.058 1.867
258 2HB ARG 39 2HB ARG 39 0.322 -4.201 1.356
259 1HG ARG 39 1HG ARG 39 -0.983 -3.651 -0.541
260 2HG ARG 39 2HG ARG 39 -1.363 -5.315 -0.182
261 1HD ARG 39 1HD ARG 39 -3.138 -2.900 0.605
262 2HD ARG 39 2HD ARG 39 -3.310 -3.764 -0.904
263 1HH1 ARG 39 2HH2 ARG 39 -3.371 -5.884 -1.446
264 2HH1 ARG 39 1HH2 ARG 39 -4.421 -7.367 -1.191
265 1HH2 ARG 39 1HH1 ARG 39 -5.462 -6.368 1.935
266 2HH2 ARG 39 2HH1 ARG 39 -5.524 -7.619 0.594
267 H LEU 40 H LEU 40 -2.579 -6.988 3.355
268 HA LEU 40 HA LEU 40 -1.415 -9.077 1.570
269 1HB LEU 40 1HB LEU 40 0.171 -8.935 3.618
270 2HB LEU 40 2HB LEU 40 -1.119 -9.500 4.643
271 HG LEU 40 HG LEU 40 -0.007 -11.056 2.210
272 1HD1 LEU 40 3HD1 LEU 40 1.809 -10.666 3.879
273 2HD1 LEU 40 1HD1 LEU 40 0.801 -11.352 5.177
274 3HD1 LEU 40 2HD1 LEU 40 1.359 -12.379 3.832
275 1HD2 LEU 40 2HD2 LEU 40 -1.742 -12.063 4.570
276 2HD2 LEU 40 3HD2 LEU 40 -2.231 -11.969 2.860
277 3HD2 LEU 40 1HD2 LEU 40 -0.975 -13.109 3.348
278 H ILE 41 H ILE 41 -3.154 -9.067 4.687
279 HA ILE 41 HA ILE 41 -5.572 -10.432 3.375
280 HB ILE 41 HB ILE 41 -4.277 -11.461 5.433
281 1HG1 ILE 41 1HG1 ILE 41 -6.461 -12.307 4.709
282 2HG1 ILE 41 2HG1 ILE 41 -6.247 -12.391 6.431
283 1HG2 ILE 41 2HG2 ILE 41 -4.084 -9.329 6.824
284 2HG2 ILE 41 3HG2 ILE 41 -5.848 -9.288 7.038
285 3HG2 ILE 41 1HG2 ILE 41 -4.898 -10.630 7.707
286 1HD1 ILE 41 3HD1 ILE 41 -7.848 -10.359 6.676
287 2HD1 ILE 41 1HD1 ILE 41 -8.178 -10.537 4.930
288 3HD1 ILE 41 2HD1 ILE 41 -8.553 -11.859 6.038
289 H MET 42 H MET 42 -7.335 -9.309 2.998
290 HA MET 42 HA MET 42 -7.491 -6.369 3.468
291 1HB MET 42 1HB MET 42 -9.615 -6.471 2.262
292 2HB MET 42 2HB MET 42 -8.380 -7.332 1.389
293 1HG MET 42 1HG MET 42 -10.659 -8.686 2.980
294 2HG MET 42 2HG MET 42 -10.629 -8.404 1.238
295 1HE MET 42 1HE MET 42 -10.984 -11.291 2.812
296 2HE MET 42 3HE MET 42 -11.162 -11.091 1.040
297 3HE MET 42 2HE MET 42 -10.063 -12.341 1.696
298 H GLU 43 H GLU 43 -8.239 -5.406 5.156
299 HA GLU 43 HA GLU 43 -9.966 -6.860 7.254
300 1HB GLU 43 1HB GLU 43 -8.455 -6.010 8.983
301 2HB GLU 43 2HB GLU 43 -7.571 -6.987 7.838
302 1HG GLU 43 1HG GLU 43 -6.611 -4.875 6.774
303 2HG GLU 43 2HG GLU 43 -7.499 -3.892 7.933
304 HE1 GLU 43 HE2 GLU 43 -5.474 -4.634 10.658
305 H GLY 44 H GLY 44 -11.089 -5.585 8.705
306 1HA GLY 44 1HA GLY 44 -12.406 -3.194 7.518
307 2HA GLY 44 2HA GLY 44 -12.818 -3.981 9.029
308 H LEU 45 H LEU 45 -13.125 -2.027 9.991
309 HA LEU 45 HA LEU 45 -12.765 0.002 11.154
310 1HB LEU 45 1HB LEU 45 -11.011 -1.445 12.377
311 2HB LEU 45 2HB LEU 45 -9.792 -0.898 11.247
312 HG LEU 45 HG LEU 45 -10.156 1.498 12.053
313 1HD1 LEU 45 1HD1 LEU 45 -11.904 0.177 14.242
314 2HD1 LEU 45 2HD1 LEU 45 -11.317 1.859 14.254
315 3HD1 LEU 45 3HD1 LEU 45 -12.465 1.336 13.012
316 1HD2 LEU 45 1HD2 LEU 45 -9.309 -0.589 14.169
317 2HD2 LEU 45 2HD2 LEU 45 -8.271 0.128 12.911
318 3HD2 LEU 45 3HD2 LEU 45 -8.914 1.144 14.214
319 H SER 46 H SER 46 -13.335 1.241 9.433
320 HA SER 46 HA SER 46 -11.186 2.288 7.490
321 1HB SER 46 1HB SER 46 -12.793 1.687 5.641
322 2HB SER 46 2HB SER 46 -12.212 0.282 6.517
323 HG SER 46 HG SER 46 -14.704 1.587 6.908
324 H PHE 47 H PHE 47 -14.716 2.759 7.557
325 HA PHE 47 HA PHE 47 -14.427 5.701 8.195
326 1HB PHE 47 1HB PHE 47 -13.807 5.177 5.631
327 2HB PHE 47 2HB PHE 47 -15.498 4.899 5.387
328 HD1 PHE 47 HD2 PHE 47 -17.142 6.921 5.967
329 HD2 PHE 47 HD1 PHE 47 -12.875 7.383 5.619
330 HE1 PHE 47 HE2 PHE 47 -17.418 9.344 5.669
331 HE2 PHE 47 HE1 PHE 47 -13.174 9.801 5.300
332 HZ PHE 47 HZ PHE 47 -15.440 10.789 5.332
333 H ALA 48 H ALA 48 -16.173 6.265 9.264
334 HA ALA 48 HA ALA 48 -18.894 4.887 8.821
335 1HB ALA 48 2HB ALA 48 -17.935 6.602 11.213
336 2HB ALA 48 3HB ALA 48 -19.556 5.894 11.013
337 3HB ALA 48 1HB ALA 48 -18.149 4.833 11.196
338 HXT ALA 48 HO ALA 48 -20.024 7.597 7.110
No H/Q in entry = 338
Start of MODEL 12
Raw file had 348 H/Q atoms
Start of MODEL 12
1 1H GLU 1 2H GLU 1 6.346 17.609 10.565
2 2H GLU 1 3H GLU 1 6.613 17.103 12.115
3 3H GLU 1 1H GLU 1 7.548 18.299 11.463
4 HA GLU 1 HA GLU 1 8.503 16.779 9.830
5 1HB GLU 1 1HB GLU 1 8.678 15.808 12.778
6 2HB GLU 1 2HB GLU 1 9.720 15.230 11.484
7 1HG GLU 1 1HG GLU 1 10.609 17.558 11.093
8 2HG GLU 1 2HG GLU 1 9.607 18.162 12.411
9 HE1 GLU 1 HE2 GLU 1 12.933 15.952 13.118
10 H ASP 2 H ASP 2 8.221 14.988 8.699
11 HA ASP 2 HA ASP 2 5.863 13.165 9.128
12 1HB ASP 2 1HB ASP 2 8.078 13.300 6.956
13 2HB ASP 2 2HB ASP 2 6.866 12.046 6.989
14 HD1 ASP 2 HD2 ASP 2 7.411 15.349 6.661
15 H ASN 3 H ASN 3 9.292 12.367 8.565
16 HA ASN 3 HA ASN 3 10.791 10.758 9.461
17 1HB ASN 3 1HB ASN 3 8.786 10.535 11.801
18 2HB ASN 3 2HB ASN 3 10.436 9.972 11.885
19 1HD2 ASN 3 1HD2 ASN 3 11.824 13.309 12.470
20 2HD2 ASN 3 2HD2 ASN 3 12.169 11.744 11.576
21 H CYS 4 H CYS 4 8.292 10.047 8.218
22 HA CYS 4 HA CYS 4 7.144 8.152 7.140
23 1HB CYS 4 1HB CYS 4 8.047 6.114 7.137
24 2HB CYS 4 2HB CYS 4 9.205 7.114 6.446
25 H ILE 5 H ILE 5 6.129 5.988 7.678
26 HA ILE 5 HA ILE 5 5.299 5.889 10.690
27 HB ILE 5 HB ILE 5 3.324 4.594 8.694
28 1HG1 ILE 5 1HG1 ILE 5 3.382 6.989 7.951
29 2HG1 ILE 5 2HG1 ILE 5 1.960 6.482 8.708
30 1HG2 ILE 5 3HG2 ILE 5 3.107 5.511 11.611
31 2HG2 ILE 5 1HG2 ILE 5 1.789 4.921 10.582
32 3HG2 ILE 5 2HG2 ILE 5 3.128 3.854 10.977
33 1HD1 ILE 5 2HD1 ILE 5 3.113 7.548 10.914
34 2HD1 ILE 5 3HD1 ILE 5 4.155 8.312 9.681
35 3HD1 ILE 5 1HD1 ILE 5 2.372 8.576 9.661
36 H ALA 6 H ALA 6 6.839 4.400 11.221
37 HA ALA 6 HA ALA 6 7.471 2.060 9.392
38 1HB ALA 6 2HB ALA 6 9.330 3.266 10.669
39 2HB ALA 6 3HB ALA 6 8.595 2.789 12.226
40 3HB ALA 6 1HB ALA 6 9.275 1.556 11.135
41 H GLU 7 H GLU 7 5.025 2.463 11.094
42 HA GLU 7 HA GLU 7 4.732 -0.166 12.619
43 1HB GLU 7 1HB GLU 7 3.388 2.574 12.829
44 2HB GLU 7 2HB GLU 7 2.838 1.206 13.775
45 1HG GLU 7 1HG GLU 7 5.072 1.033 14.914
46 2HG GLU 7 2HG GLU 7 5.667 2.404 13.980
47 HE1 GLU 7 HE2 GLU 7 3.138 2.909 17.089
48 H ASP 8 H ASP 8 2.892 -1.153 12.969
49 HA ASP 8 HA ASP 8 0.866 -1.230 10.664
50 1HB ASP 8 1HB ASP 8 0.032 -3.423 11.897
51 2HB ASP 8 2HB ASP 8 1.266 -3.396 10.653
52 HD1 ASP 8 HD2 ASP 8 3.253 -3.819 11.058
53 H TYR 9 H TYR 9 -0.760 -0.397 11.207
54 HA TYR 9 HA TYR 9 -2.381 1.128 12.218
55 1HB TYR 9 1HB TYR 9 -2.012 -0.601 14.772
56 2HB TYR 9 2HB TYR 9 -3.379 0.400 14.368
57 HD1 TYR 9 HD2 TYR 9 -4.648 -0.208 12.033
58 HD2 TYR 9 HD1 TYR 9 -2.042 -2.938 14.100
59 HE1 TYR 9 HE2 TYR 9 -5.527 -2.077 10.703
60 HE2 TYR 9 HE1 TYR 9 -2.934 -4.789 12.767
61 HH TYR 9 HH TYR 9 -5.407 -4.243 10.263
62 H GLY 10 H GLY 10 0.321 1.960 12.148
63 1HA GLY 10 1HA GLY 10 0.811 3.715 14.574
64 2HA GLY 10 2HA GLY 10 1.745 3.800 13.194
65 H LYS 11 H LYS 11 0.718 5.747 14.495
66 HA LYS 11 HA LYS 11 -1.729 6.936 13.218
67 1HB LYS 11 1HB LYS 11 -1.071 9.169 14.316
68 2HB LYS 11 2HB LYS 11 -1.501 7.813 15.278
69 1HG LYS 11 1HG LYS 11 0.950 7.442 15.880
70 2HG LYS 11 2HG LYS 11 1.425 8.756 14.817
71 1HD LYS 11 1HD LYS 11 -0.378 9.038 17.307
72 2HD LYS 11 2HD LYS 11 1.349 9.311 17.308
73 1HE LYS 11 1HE LYS 11 -0.687 10.995 15.692
74 2HE LYS 11 2HE LYS 11 -0.009 11.431 17.254
75 1HZ LYS 11 1HZ LYS 11 2.184 11.491 16.278
76 2HZ LYS 11 2HZ LYS 11 1.170 12.514 15.505
77 H CYS 12 H CYS 12 -1.900 7.891 11.597
78 HA CYS 12 HA CYS 12 0.291 9.205 9.843
79 1HB CYS 12 1HB CYS 12 0.227 7.636 8.142
80 2HB CYS 12 2HB CYS 12 0.119 6.593 9.538
81 H THR 13 H THR 13 -0.842 9.454 7.622
82 HA THR 13 HA THR 13 -3.669 10.640 7.873
83 HB THR 13 HB THR 13 -2.414 12.751 6.507
84 HG1 THR 13 HG1 THR 13 -0.325 11.926 7.137
85 1HG2 THR 13 2HG2 THR 13 -4.009 13.087 8.364
86 2HG2 THR 13 3HG2 THR 13 -2.725 12.674 9.561
87 3HG2 THR 13 1HG2 THR 13 -2.568 14.119 8.526
88 H TRP 14 H TRP 14 -4.643 11.079 6.056
89 HA TRP 14 HA TRP 14 -3.695 9.835 3.396
90 1HB TRP 14 1HB TRP 14 -6.539 10.623 4.297
91 2HB TRP 14 2HB TRP 14 -6.115 10.288 2.632
92 HD1 TRP 14 HD1 TRP 14 -4.105 7.599 4.020
93 HE1 TRP 14 HE1 TRP 14 -5.371 5.307 4.210
94 HE3 TRP 14 HE3 TRP 14 -8.834 9.515 3.674
95 HZ2 TRP 14 HZ2 TRP 14 -8.136 4.586 4.210
96 HZ3 TRP 14 HZ3 TRP 14 -10.755 7.963 3.798
97 HH2 TRP 14 HH2 TRP 14 -10.411 5.540 4.065
98 H GLY 15 H GLY 15 -2.517 11.316 2.513
99 1HA GLY 15 1HA GLY 15 -1.896 13.479 1.444
100 2HA GLY 15 2HA GLY 15 -3.285 14.276 2.222
101 H GLY 16 H GLY 16 -0.335 12.477 2.927
102 1HA GLY 16 1HA GLY 16 0.385 13.948 5.583
103 2HA GLY 16 2HA GLY 16 -0.379 12.434 5.558
104 H THR 17 H THR 17 1.278 11.836 6.714
105 HA THR 17 HA THR 17 3.682 10.701 5.217
106 HB THR 17 HB THR 17 3.009 9.612 8.002
107 HG1 THR 17 HG1 THR 17 2.892 11.934 8.113
108 1HG2 THR 17 3HG2 THR 17 5.650 10.185 6.498
109 2HG2 THR 17 1HG2 THR 17 5.537 9.673 8.200
110 3HG2 THR 17 2HG2 THR 17 4.937 8.624 6.924
111 H LYS 18 H LYS 18 3.794 8.708 4.632
112 HA LYS 18 HA LYS 18 1.518 6.636 4.905
113 1HB LYS 18 1HB LYS 18 3.464 6.273 2.640
114 2HB LYS 18 2HB LYS 18 1.884 5.681 2.886
115 1HG LYS 18 1HG LYS 18 1.434 7.051 1.128
116 2HG LYS 18 2HG LYS 18 0.905 8.042 2.478
117 1HD LYS 18 1HD LYS 18 3.178 9.291 2.337
118 2HD LYS 18 2HD LYS 18 3.578 8.297 0.937
119 1HE LYS 18 1HE LYS 18 1.550 9.227 -0.291
120 2HE LYS 18 2HE LYS 18 1.134 10.197 1.131
121 1HZ LYS 18 1HZ LYS 18 3.670 10.418 -0.394
122 2HZ LYS 18 2HZ LYS 18 3.284 11.311 0.920
123 H CYS 19 H CYS 19 2.576 4.543 4.520
124 HA CYS 19 HA CYS 19 4.222 4.326 7.023
125 1HB CYS 19 1HB CYS 19 2.779 2.252 5.306
126 2HB CYS 19 2HB CYS 19 3.917 1.702 6.602
127 H CYS 20 H CYS 20 6.126 3.575 7.221
128 HA CYS 20 HA CYS 20 8.024 4.770 5.896
129 1HB CYS 20 1HB CYS 20 8.088 3.685 8.203
130 2HB CYS 20 2HB CYS 20 8.794 2.235 7.493
131 H ARG 21 H ARG 21 7.771 1.231 5.564
132 HA ARG 21 HA ARG 21 10.089 1.161 3.559
133 1HB ARG 21 1HB ARG 21 8.644 -1.039 5.234
134 2HB ARG 21 2HB ARG 21 9.801 -1.468 4.008
135 1HG ARG 21 1HG ARG 21 10.464 0.242 6.461
136 2HG ARG 21 2HG ARG 21 10.782 -1.466 6.291
137 1HD ARG 21 1HD ARG 21 12.104 0.764 4.606
138 2HD ARG 21 2HD ARG 21 12.820 -0.084 5.961
139 1HH1 ARG 21 2HH2 ARG 21 11.910 0.433 2.577
140 2HH1 ARG 21 1HH2 ARG 21 12.410 -0.577 1.130
141 1HH2 ARG 21 1HH1 ARG 21 13.510 -3.203 3.070
142 2HH2 ARG 21 2HH1 ARG 21 13.257 -2.503 1.393
143 H GLY 22 H GLY 22 7.645 2.028 2.908
144 1HA GLY 22 1HA GLY 22 6.445 2.247 0.662
145 2HA GLY 22 2HA GLY 22 7.224 0.779 0.133
146 H ARG 23 H ARG 23 5.110 1.878 2.568
147 HA ARG 23 HA ARG 23 3.323 -0.608 2.401
148 1HB ARG 23 1HB ARG 23 4.377 1.077 4.672
149 2HB ARG 23 2HB ARG 23 3.006 -0.036 4.951
150 1HG ARG 23 1HG ARG 23 4.704 -1.846 4.372
151 2HG ARG 23 2HG ARG 23 5.926 -0.529 4.304
152 1HD ARG 23 1HD ARG 23 6.171 -1.608 6.420
153 2HD ARG 23 2HD ARG 23 5.510 0.005 6.703
154 1HH1 ARG 23 2HH2 ARG 23 5.814 -1.277 8.807
155 2HH1 ARG 23 1HH2 ARG 23 4.726 -1.981 10.106
156 1HH2 ARG 23 1HH1 ARG 23 2.144 -2.585 7.909
157 2HH2 ARG 23 2HH1 ARG 23 2.782 -2.674 9.627
158 HA PRO 24 HA PRO 24 -0.074 2.514 2.021
159 1HB PRO 24 1HB PRO 24 -2.278 0.822 2.144
160 2HB PRO 24 2HB PRO 24 -1.193 0.919 0.753
161 1HG PRO 24 1HG PRO 24 -1.180 -1.151 3.011
162 2HG PRO 24 2HG PRO 24 -1.053 -1.451 1.263
163 1HD PRO 24 1HD PRO 24 1.151 -1.335 2.984
164 2HD PRO 24 2HD PRO 24 1.270 -0.903 1.249
165 H CYS 25 H CYS 25 -1.612 3.479 3.171
166 HA CYS 25 HA CYS 25 -1.857 2.818 6.162
167 1HB CYS 25 1HB CYS 25 -0.875 5.288 5.098
168 2HB CYS 25 2HB CYS 25 -2.574 5.619 5.545
169 H ARG 26 H ARG 26 -3.904 3.157 7.070
170 HA ARG 26 HA ARG 26 -6.328 3.304 5.221
171 1HB ARG 26 1HB ARG 26 -7.515 1.765 6.631
172 2HB ARG 26 2HB ARG 26 -6.072 0.940 6.110
173 1HG ARG 26 1HG ARG 26 -5.045 1.075 8.340
174 2HG ARG 26 2HG ARG 26 -6.135 2.324 8.864
175 1HD ARG 26 1HD ARG 26 -8.082 0.559 8.521
176 2HD ARG 26 2HD ARG 26 -6.786 -0.651 8.507
177 1HH1 ARG 26 2HH2 ARG 26 -9.034 -0.989 9.725
178 2HH1 ARG 26 1HH2 ARG 26 -9.558 -1.257 11.463
179 1HH2 ARG 26 1HH1 ARG 26 -6.952 0.576 12.767
180 2HH2 ARG 26 2HH1 ARG 26 -8.457 -0.430 13.067
181 H CYS 27 H CYS 27 -8.064 3.566 7.586
182 HA CYS 27 HA CYS 27 -6.800 5.815 9.131
183 1HB CYS 27 1HB CYS 27 -9.613 6.162 7.976
184 2HB CYS 27 2HB CYS 27 -8.904 7.200 9.168
185 H SER 28 H SER 28 -8.164 6.281 11.085
186 HA SER 28 HA SER 28 -9.020 3.948 12.720
187 1HB SER 28 1HB SER 28 -9.250 7.042 12.987
188 2HB SER 28 2HB SER 28 -9.927 5.996 14.209
189 HG SER 28 HG SER 28 -7.838 6.546 14.692
190 H MET 29 H MET 29 -11.152 4.249 13.919
191 HA MET 29 HA MET 29 -13.223 3.128 12.113
192 1HB MET 29 1HB MET 29 -13.194 3.896 15.126
193 2HB MET 29 2HB MET 29 -14.595 3.211 14.357
194 1HG MET 29 1HG MET 29 -11.862 1.801 14.594
195 2HG MET 29 2HG MET 29 -13.311 1.469 15.546
196 1HE MET 29 3HE MET 29 -11.626 1.174 11.952
197 2HE MET 29 2HE MET 29 -11.331 -0.213 13.045
198 3HE MET 29 1HE MET 29 -12.302 -0.434 11.560
199 H ILE 30 H ILE 30 -12.838 6.247 13.614
200 HA ILE 30 HA ILE 30 -15.607 7.270 12.835
201 HB ILE 30 HB ILE 30 -14.380 7.969 15.006
202 1HG1 ILE 30 1HG1 ILE 30 -16.251 9.317 14.017
203 2HG1 ILE 30 2HG1 ILE 30 -15.148 10.199 15.029
204 1HG2 ILE 30 1HG2 ILE 30 -12.015 8.244 14.051
205 2HG2 ILE 30 2HG2 ILE 30 -12.538 9.683 13.153
206 3HG2 ILE 30 3HG2 ILE 30 -12.566 9.681 14.922
207 1HD1 ILE 30 1HD1 ILE 30 -14.131 11.332 12.994
208 2HD1 ILE 30 2HD1 ILE 30 -15.314 10.486 11.964
209 3HD1 ILE 30 3HD1 ILE 30 -15.867 11.627 13.196
210 H GLY 31 H GLY 31 -12.272 7.946 11.758
211 1HA GLY 31 1HA GLY 31 -12.321 7.858 8.979
212 2HA GLY 31 2HA GLY 31 -13.343 9.267 9.210
213 H THR 32 H THR 32 -12.128 10.479 11.311
214 HA THR 32 HA THR 32 -9.552 11.632 10.114
215 HB THR 32 HB THR 32 -9.690 13.322 11.982
216 HG1 THR 32 HG1 THR 32 -11.688 13.438 13.102
217 1HG2 THR 32 2HG2 THR 32 -10.754 13.880 9.746
218 2HG2 THR 32 3HG2 THR 32 -12.306 13.201 10.304
219 3HG2 THR 32 1HG2 THR 32 -11.627 14.644 11.092
220 H ASN 33 H ASN 33 -7.727 11.809 11.421
221 HA ASN 33 HA ASN 33 -5.949 11.113 12.847
222 1HB ASN 33 1HB ASN 33 -8.187 9.812 14.596
223 2HB ASN 33 2HB ASN 33 -6.515 9.668 14.956
224 1HD2 ASN 33 1HD2 ASN 33 -6.294 13.006 16.333
225 2HD2 ASN 33 2HD2 ASN 33 -5.380 11.525 15.750
226 H CYS 34 H CYS 34 -5.987 10.039 10.650
227 HA CYS 34 HA CYS 34 -6.705 7.300 10.280
228 1HB CYS 34 1HB CYS 34 -4.561 8.874 8.821
229 2HB CYS 34 2HB CYS 34 -5.149 7.360 8.257
230 H GLU 35 H GLU 35 -5.158 5.473 9.675
231 HA GLU 35 HA GLU 35 -2.661 5.349 11.421
232 1HB GLU 35 1HB GLU 35 -4.371 2.853 11.692
233 2HB GLU 35 2HB GLU 35 -3.147 3.485 12.716
234 1HG GLU 35 1HG GLU 35 -4.620 5.219 13.693
235 2HG GLU 35 2HG GLU 35 -5.942 4.731 12.635
236 HE1 GLU 35 HE2 GLU 35 -4.823 2.391 15.762
237 H CYS 36 H CYS 36 -1.719 2.991 11.183
238 HA CYS 36 HA CYS 36 -1.170 2.659 8.189
239 1HB CYS 36 1HB CYS 36 0.872 2.586 10.051
240 2HB CYS 36 2HB CYS 36 0.298 0.954 10.290
241 H THR 37 H THR 37 -1.146 0.522 7.204
242 HA THR 37 HA THR 37 -2.548 -1.727 8.723
243 HB THR 37 HB THR 37 -4.344 -0.864 7.461
244 HG1 THR 37 HG1 THR 37 -4.064 -3.088 7.478
245 1HG2 THR 37 2HG2 THR 37 -3.160 0.382 5.535
246 2HG2 THR 37 3HG2 THR 37 -2.682 -1.185 4.832
247 3HG2 THR 37 1HG2 THR 37 -4.401 -0.725 4.919
248 HA PRO 38 HA PRO 38 1.127 -3.780 7.000
249 1HB PRO 38 1HB PRO 38 0.680 -6.373 7.915
250 2HB PRO 38 2HB PRO 38 1.105 -5.022 8.970
251 1HG PRO 38 1HG PRO 38 -1.659 -6.198 8.472
252 2HG PRO 38 2HG PRO 38 -0.939 -5.699 10.021
253 1HD PRO 38 1HD PRO 38 -2.711 -4.111 8.564
254 2HD PRO 38 2HD PRO 38 -1.506 -3.397 9.637
255 H ARG 39 H ARG 39 1.712 -4.499 5.133
256 HA ARG 39 HA ARG 39 -0.344 -5.629 3.153
257 1HB ARG 39 1HB ARG 39 1.330 -4.818 1.439
258 2HB ARG 39 2HB ARG 39 0.648 -3.593 2.448
259 1HG ARG 39 1HG ARG 39 2.896 -3.004 2.006
260 2HG ARG 39 2HG ARG 39 2.773 -3.331 3.723
261 1HD ARG 39 1HD ARG 39 3.903 -5.567 3.393
262 2HD ARG 39 2HD ARG 39 3.950 -5.295 1.639
263 1HH1 ARG 39 2HH2 ARG 39 5.877 -6.428 2.185
264 2HH1 ARG 39 1HH2 ARG 39 7.683 -6.117 2.266
265 1HH2 ARG 39 1HH1 ARG 39 7.297 -2.797 3.101
266 2HH2 ARG 39 2HH1 ARG 39 8.431 -4.195 2.751
267 H LEU 40 H LEU 40 1.973 -7.158 5.097
268 HA LEU 40 HA LEU 40 2.141 -9.459 3.103
269 1HB LEU 40 1HB LEU 40 4.233 -7.976 2.875
270 2HB LEU 40 2HB LEU 40 4.591 -8.263 4.563
271 HG LEU 40 HG LEU 40 4.833 -10.752 4.047
272 1HD1 LEU 40 3HD1 LEU 40 4.563 -9.877 1.091
273 2HD1 LEU 40 1HD1 LEU 40 5.119 -11.475 1.651
274 3HD1 LEU 40 2HD1 LEU 40 3.457 -10.960 1.971
275 1HD2 LEU 40 1HD2 LEU 40 6.823 -9.205 4.146
276 2HD2 LEU 40 2HD2 LEU 40 7.072 -10.522 2.985
277 3HD2 LEU 40 3HD2 LEU 40 6.670 -8.888 2.403
278 H ILE 41 H ILE 41 3.665 -8.889 6.286
279 HA ILE 41 HA ILE 41 2.182 -11.355 7.374
280 HB ILE 41 HB ILE 41 4.602 -9.896 8.663
281 1HG1 ILE 41 1HG1 ILE 41 5.533 -12.451 7.970
282 2HG1 ILE 41 2HG1 ILE 41 4.456 -12.169 6.624
283 1HG2 ILE 41 1HG2 ILE 41 3.226 -12.604 9.333
284 2HG2 ILE 41 2HG2 ILE 41 4.689 -11.958 10.119
285 3HG2 ILE 41 3HG2 ILE 41 3.147 -11.127 10.325
286 1HD1 ILE 41 3HD1 ILE 41 5.745 -9.952 6.191
287 2HD1 ILE 41 1HD1 ILE 41 6.820 -10.392 7.535
288 3HD1 ILE 41 2HD1 ILE 41 6.756 -11.415 6.081
289 H MET 42 H MET 42 0.429 -10.921 8.498
290 HA MET 42 HA MET 42 -0.458 -8.202 9.205
291 1HB MET 42 1HB MET 42 -2.497 -9.291 10.050
292 2HB MET 42 2HB MET 42 -2.053 -9.940 8.496
293 1HG MET 42 1HG MET 42 -1.160 -12.055 9.664
294 2HG MET 42 2HG MET 42 -1.696 -11.372 11.207
295 1HE MET 42 3HE MET 42 -2.688 -13.438 8.118
296 2HE MET 42 2HE MET 42 -4.417 -13.068 7.852
297 3HE MET 42 1HE MET 42 -3.173 -11.853 7.440
298 H GLU 43 H GLU 43 -0.465 -7.141 11.011
299 HA GLU 43 HA GLU 43 0.227 -6.298 13.136
300 1HB GLU 43 1HB GLU 43 -0.510 -9.168 13.956
301 2HB GLU 43 2HB GLU 43 -0.314 -7.854 15.104
302 1HG GLU 43 1HG GLU 43 -2.244 -6.595 14.125
303 2HG GLU 43 2HG GLU 43 -2.517 -7.876 12.948
304 HE1 GLU 43 HE2 GLU 43 -3.655 -8.271 16.797
305 H GLY 44 H GLY 44 2.250 -7.030 11.678
306 1HA GLY 44 1HA GLY 44 4.597 -6.586 13.187
307 2HA GLY 44 2HA GLY 44 4.419 -8.327 13.389
308 H LEU 45 H LEU 45 5.118 -5.787 11.107
309 HA LEU 45 HA LEU 45 5.443 -7.613 8.749
310 1HB LEU 45 1HB LEU 45 5.039 -4.774 9.096
311 2HB LEU 45 2HB LEU 45 6.682 -4.850 8.588
312 HG LEU 45 HG LEU 45 5.315 -4.438 6.710
313 1HD1 LEU 45 3HD1 LEU 45 7.195 -5.983 6.151
314 2HD1 LEU 45 1HD1 LEU 45 6.129 -7.391 6.380
315 3HD1 LEU 45 2HD1 LEU 45 5.805 -6.223 5.082
316 1HD2 LEU 45 2HD2 LEU 45 3.139 -5.285 7.592
317 2HD2 LEU 45 3HD2 LEU 45 3.427 -5.793 5.918
318 3HD2 LEU 45 1HD2 LEU 45 3.637 -6.958 7.246
319 H SER 46 H SER 46 7.340 -8.240 7.804
320 HA SER 46 HA SER 46 9.873 -8.463 9.376
321 1HB SER 46 1HB SER 46 10.760 -9.520 7.272
322 2HB SER 46 2HB SER 46 9.237 -10.238 7.763
323 HG SER 46 HG SER 46 8.198 -8.891 6.218
324 H PHE 47 H PHE 47 9.026 -6.601 6.448
325 HA PHE 47 HA PHE 47 11.302 -4.599 7.054
326 1HB PHE 47 1HB PHE 47 9.684 -4.960 4.448
327 2HB PHE 47 2HB PHE 47 10.810 -3.666 4.747
328 HD1 PHE 47 HD2 PHE 47 13.315 -4.242 5.217
329 HD2 PHE 47 HD1 PHE 47 10.521 -7.113 3.644
330 HE1 PHE 47 HE2 PHE 47 15.179 -5.619 4.391
331 HE2 PHE 47 HE1 PHE 47 12.398 -8.477 2.827
332 HZ PHE 47 HZ PHE 47 14.727 -7.736 3.197
333 H ALA 48 H ALA 48 10.303 -3.543 8.687
334 HA ALA 48 HA ALA 48 7.410 -2.633 8.462
335 1HB ALA 48 2HB ALA 48 8.176 -3.885 10.513
336 2HB ALA 48 3HB ALA 48 9.365 -2.609 10.876
337 3HB ALA 48 1HB ALA 48 7.619 -2.259 10.923
338 HXT ALA 48 HO ALA 48 10.039 0.427 9.119
No H/Q in entry = 338
Start of MODEL 13
Raw file had 348 H/Q atoms
Start of MODEL 13
1 1H GLU 1 2H GLU 1 6.188 12.728 2.161
2 2H GLU 1 3H GLU 1 7.520 11.893 1.654
3 3H GLU 1 1H GLU 1 6.008 11.336 1.290
4 HA GLU 1 HA GLU 1 5.519 10.930 3.645
5 1HB GLU 1 1HB GLU 1 6.515 9.167 2.090
6 2HB GLU 1 2HB GLU 1 8.140 9.621 2.590
7 1HG GLU 1 1HG GLU 1 7.623 8.885 4.945
8 2HG GLU 1 2HG GLU 1 5.949 8.570 4.499
9 HE1 GLU 1 HE2 GLU 1 8.906 6.064 3.258
10 H ASP 2 H ASP 2 9.069 11.128 3.591
11 HA ASP 2 HA ASP 2 10.700 12.356 4.837
12 1HB ASP 2 1HB ASP 2 8.382 14.416 5.156
13 2HB ASP 2 2HB ASP 2 10.045 14.711 5.597
14 HD1 ASP 2 HD2 ASP 2 11.580 14.661 4.080
15 H ASN 3 H ASN 3 11.044 11.014 6.506
16 HA ASN 3 HA ASN 3 11.263 10.159 8.696
17 1HB ASN 3 1HB ASN 3 11.510 12.234 9.453
18 2HB ASN 3 2HB ASN 3 9.822 12.774 9.503
19 1HD2 ASN 3 1HD2 ASN 3 9.436 11.424 12.846
20 2HD2 ASN 3 2HD2 ASN 3 8.698 12.314 11.422
21 H CYS 4 H CYS 4 10.317 8.906 7.827
22 HA CYS 4 HA CYS 4 7.577 8.194 7.152
23 1HB CYS 4 1HB CYS 4 8.256 6.053 6.876
24 2HB CYS 4 2HB CYS 4 9.378 6.977 6.033
25 H ILE 5 H ILE 5 6.477 6.097 7.724
26 HA ILE 5 HA ILE 5 5.998 6.023 10.805
27 HB ILE 5 HB ILE 5 3.716 5.289 8.872
28 1HG1 ILE 5 1HG1 ILE 5 4.039 7.821 10.493
29 2HG1 ILE 5 2HG1 ILE 5 4.454 7.758 8.792
30 1HG2 ILE 5 3HG2 ILE 5 3.770 5.614 11.936
31 2HG2 ILE 5 1HG2 ILE 5 2.339 5.351 10.938
32 3HG2 ILE 5 2HG2 ILE 5 3.543 4.105 11.011
33 1HD1 ILE 5 3HD1 ILE 5 1.712 7.087 9.846
34 2HD1 ILE 5 1HD1 ILE 5 2.174 8.634 9.142
35 3HD1 ILE 5 2HD1 ILE 5 2.207 7.165 8.125
36 H ALA 6 H ALA 6 7.344 4.317 11.190
37 HA ALA 6 HA ALA 6 7.674 2.101 9.173
38 1HB ALA 6 2HB ALA 6 9.652 3.063 10.493
39 2HB ALA 6 3HB ALA 6 8.941 2.468 12.019
40 3HB ALA 6 1HB ALA 6 9.507 1.321 10.780
41 H GLU 7 H GLU 7 5.344 2.484 10.988
42 HA GLU 7 HA GLU 7 4.924 -0.244 12.270
43 1HB GLU 7 1HB GLU 7 3.500 2.470 12.594
44 2HB GLU 7 2HB GLU 7 3.073 1.052 13.521
45 1HG GLU 7 1HG GLU 7 5.313 0.996 14.623
46 2HG GLU 7 2HG GLU 7 5.833 2.405 13.702
47 HE1 GLU 7 HE2 GLU 7 3.963 4.732 15.466
48 H ASP 8 H ASP 8 3.020 -1.091 12.578
49 HA ASP 8 HA ASP 8 1.001 -0.963 10.281
50 1HB ASP 8 1HB ASP 8 0.172 -3.269 11.188
51 2HB ASP 8 2HB ASP 8 1.465 -3.106 10.001
52 HD2 ASP 8 HD2 ASP 8 3.392 -3.698 10.422
53 H TYR 9 H TYR 9 -0.580 -0.208 10.983
54 HA TYR 9 HA TYR 9 -2.218 1.135 12.196
55 1HB TYR 9 1HB TYR 9 -1.619 -0.695 14.639
56 2HB TYR 9 2HB TYR 9 -3.061 0.235 14.344
57 HD1 TYR 9 HD2 TYR 9 -4.360 -0.344 11.997
58 HD2 TYR 9 HD1 TYR 9 -1.592 -3.016 13.927
59 HE1 TYR 9 HE2 TYR 9 -5.088 -2.181 10.533
60 HE2 TYR 9 HE1 TYR 9 -2.332 -4.833 12.460
61 HH TYR 9 HH TYR 9 -4.819 -4.300 9.965
62 H GLY 10 H GLY 10 0.443 2.061 12.032
63 1HA GLY 10 1HA GLY 10 0.941 3.823 14.483
64 2HA GLY 10 2HA GLY 10 1.888 3.883 13.091
65 H LYS 11 H LYS 11 0.824 5.902 14.245
66 HA LYS 11 HA LYS 11 -1.719 6.868 12.923
67 1HB LYS 11 1HB LYS 11 -1.179 9.195 13.908
68 2HB LYS 11 2HB LYS 11 -1.562 7.859 14.917
69 1HG LYS 11 1HG LYS 11 0.909 7.654 15.592
70 2HG LYS 11 2HG LYS 11 1.310 8.921 14.446
71 1HD LYS 11 1HD LYS 11 1.289 9.945 16.618
72 2HD LYS 11 2HD LYS 11 -0.083 10.571 15.732
73 1HE LYS 11 1HE LYS 11 -0.802 10.186 18.009
74 2HE LYS 11 2HE LYS 11 -1.632 8.993 17.018
75 1HZ LYS 11 1HZ LYS 11 -0.001 7.348 17.719
76 2HZ LYS 11 2HZ LYS 11 -0.760 8.008 19.007
77 H CYS 12 H CYS 12 -1.917 7.632 11.234
78 HA CYS 12 HA CYS 12 0.162 9.114 9.506
79 1HB CYS 12 1HB CYS 12 -0.486 7.797 7.461
80 2HB CYS 12 2HB CYS 12 0.073 6.687 8.677
81 H THR 13 H THR 13 -0.900 9.885 7.472
82 HA THR 13 HA THR 13 -3.872 10.515 7.742
83 HB THR 13 HB THR 13 -3.942 12.773 7.854
84 HG1 THR 13 HG1 THR 13 -1.364 12.993 6.690
85 1HG2 THR 13 2HG2 THR 13 -2.441 12.383 9.924
86 2HG2 THR 13 3HG2 THR 13 -0.999 12.671 8.907
87 3HG2 THR 13 1HG2 THR 13 -2.154 13.983 9.198
88 H TRP 14 H TRP 14 -4.790 11.019 5.876
89 HA TRP 14 HA TRP 14 -3.380 10.306 3.242
90 1HB TRP 14 1HB TRP 14 -6.341 10.946 3.822
91 2HB TRP 14 2HB TRP 14 -5.687 10.653 2.224
92 HD1 TRP 14 HD1 TRP 14 -3.707 8.027 3.467
93 HE1 TRP 14 HE1 TRP 14 -4.849 5.674 3.674
94 HE3 TRP 14 HE3 TRP 14 -8.536 9.715 3.377
95 HZ2 TRP 14 HZ2 TRP 14 -7.569 4.815 3.740
96 HZ3 TRP 14 HZ3 TRP 14 -10.369 8.061 3.502
97 HH2 TRP 14 HH2 TRP 14 -9.894 5.652 3.681
98 H GLY 15 H GLY 15 -2.067 11.846 2.885
99 1HA GLY 15 1HA GLY 15 -1.462 14.085 1.886
100 2HA GLY 15 2HA GLY 15 -2.837 14.821 2.715
101 H GLY 16 H GLY 16 -0.038 12.792 3.456
102 1HA GLY 16 1HA GLY 16 1.031 14.339 5.890
103 2HA GLY 16 2HA GLY 16 0.065 12.947 6.218
104 H THR 17 H THR 17 1.858 12.219 7.138
105 HA THR 17 HA THR 17 4.040 10.952 5.435
106 HB THR 17 HB THR 17 3.576 9.837 8.268
107 HG1 THR 17 HG1 THR 17 3.567 12.167 8.386
108 1HG2 THR 17 2HG2 THR 17 5.365 8.895 6.717
109 2HG2 THR 17 3HG2 THR 17 6.208 10.448 6.781
110 3HG2 THR 17 1HG2 THR 17 5.931 9.490 8.256
111 H LYS 18 H LYS 18 4.077 8.988 4.845
112 HA LYS 18 HA LYS 18 1.697 7.014 4.951
113 1HB LYS 18 1HB LYS 18 3.884 6.488 2.996
114 2HB LYS 18 2HB LYS 18 2.220 6.118 2.914
115 1HG LYS 18 1HG LYS 18 3.248 8.976 2.350
116 2HG LYS 18 2HG LYS 18 3.173 7.701 1.163
117 1HD LYS 18 1HD LYS 18 1.251 8.978 0.781
118 2HD LYS 18 2HD LYS 18 0.685 7.467 1.477
119 1HE LYS 18 1HE LYS 18 0.334 8.619 3.712
120 2HE LYS 18 2HE LYS 18 0.995 10.123 3.053
121 1HZ LYS 18 1HZ LYS 18 -0.802 10.172 1.457
122 2HZ LYS 18 2HZ LYS 18 -1.387 10.121 2.983
123 H CYS 19 H CYS 19 2.637 4.822 4.667
124 HA CYS 19 HA CYS 19 4.250 4.503 7.244
125 1HB CYS 19 1HB CYS 19 2.457 2.494 5.810
126 2HB CYS 19 2HB CYS 19 3.214 2.251 7.416
127 H CYS 20 H CYS 20 6.105 4.030 7.165
128 HA CYS 20 HA CYS 20 7.921 4.753 5.640
129 1HB CYS 20 1HB CYS 20 8.199 3.742 7.954
130 2HB CYS 20 2HB CYS 20 8.623 2.187 7.221
131 H ARG 21 H ARG 21 7.594 1.180 5.540
132 HA ARG 21 HA ARG 21 9.544 1.007 3.196
133 1HB ARG 21 1HB ARG 21 9.648 -0.374 5.519
134 2HB ARG 21 2HB ARG 21 8.385 -1.373 4.819
135 1HG ARG 21 1HG ARG 21 10.034 -1.798 2.833
136 2HG ARG 21 2HG ARG 21 11.251 -0.927 3.745
137 1HD ARG 21 1HD ARG 21 9.793 -3.509 4.660
138 2HD ARG 21 2HD ARG 21 11.397 -3.441 3.949
139 1HH1 ARG 21 2HH2 ARG 21 9.116 -3.624 6.553
140 2HH1 ARG 21 1HH2 ARG 21 9.464 -3.532 8.353
141 1HH2 ARG 21 1HH1 ARG 21 12.593 -2.158 7.894
142 2HH2 ARG 21 2HH1 ARG 21 11.309 -2.753 9.062
143 H GLY 22 H GLY 22 7.059 1.796 2.852
144 1HA GLY 22 1HA GLY 22 5.460 1.787 0.841
145 2HA GLY 22 2HA GLY 22 6.102 0.229 0.394
146 H ARG 23 H ARG 23 4.794 1.299 3.375
147 HA ARG 23 HA ARG 23 2.606 -0.829 3.453
148 1HB ARG 23 1HB ARG 23 3.902 0.912 5.579
149 2HB ARG 23 2HB ARG 23 2.210 0.423 5.779
150 1HG ARG 23 1HG ARG 23 3.498 -0.885 7.119
151 2HG ARG 23 2HG ARG 23 2.756 -1.867 5.871
152 1HD ARG 23 1HD ARG 23 4.940 -2.804 6.029
153 2HD ARG 23 2HD ARG 23 5.102 -1.760 4.625
154 1HH1 ARG 23 2HH2 ARG 23 5.325 -2.570 8.178
155 2HH1 ARG 23 1HH2 ARG 23 6.634 -2.019 9.339
156 1HH2 ARG 23 1HH1 ARG 23 7.951 0.254 7.108
157 2HH2 ARG 23 2HH1 ARG 23 8.026 -0.521 8.769
158 HA PRO 24 HA PRO 24 -0.144 2.821 2.300
159 1HB PRO 24 1HB PRO 24 -2.455 1.394 1.796
160 2HB PRO 24 2HB PRO 24 -1.082 1.406 0.683
161 1HG PRO 24 1HG PRO 24 -1.845 -0.759 2.678
162 2HG PRO 24 2HG PRO 24 -1.302 -0.955 1.002
163 1HD PRO 24 1HD PRO 24 0.369 -1.198 3.265
164 2HD PRO 24 2HD PRO 24 0.979 -0.802 1.630
165 H CYS 25 H CYS 25 -2.445 3.383 3.156
166 HA CYS 25 HA CYS 25 -2.632 2.751 6.166
167 1HB CYS 25 1HB CYS 25 -2.151 5.395 4.887
168 2HB CYS 25 2HB CYS 25 -3.587 5.394 5.957
169 H ARG 26 H ARG 26 -4.588 2.814 7.028
170 HA ARG 26 HA ARG 26 -7.087 3.177 5.401
171 1HB ARG 26 1HB ARG 26 -6.618 0.632 7.094
172 2HB ARG 26 2HB ARG 26 -8.189 1.164 6.527
173 1HG ARG 26 1HG ARG 26 -5.838 0.372 4.706
174 2HG ARG 26 2HG ARG 26 -7.180 -0.672 5.156
175 1HD ARG 26 1HD ARG 26 -8.807 0.875 3.986
176 2HD ARG 26 2HD ARG 26 -7.472 1.957 3.551
177 1HH1 ARG 26 2HH2 ARG 26 -8.826 2.098 1.791
178 2HH1 ARG 26 1HH2 ARG 26 -8.845 1.604 0.024
179 1HH2 ARG 26 1HH1 ARG 26 -6.996 -1.251 0.572
180 2HH2 ARG 26 2HH1 ARG 26 -7.878 -0.166 -0.617
181 H CYS 27 H CYS 27 -8.311 4.502 6.598
182 HA CYS 27 HA CYS 27 -7.076 5.552 8.957
183 1HB CYS 27 1HB CYS 27 -9.892 6.269 7.919
184 2HB CYS 27 2HB CYS 27 -8.934 7.247 8.987
185 H SER 28 H SER 28 -8.309 6.173 10.924
186 HA SER 28 HA SER 28 -9.136 3.813 12.526
187 1HB SER 28 1HB SER 28 -7.707 6.011 13.115
188 2HB SER 28 2HB SER 28 -9.291 6.773 13.368
189 HG SER 28 HG SER 28 -8.403 5.859 15.223
190 H MET 29 H MET 29 -10.779 4.839 14.214
191 HA MET 29 HA MET 29 -13.334 3.636 13.287
192 1HB MET 29 1HB MET 29 -14.048 3.949 15.603
193 2HB MET 29 2HB MET 29 -12.373 3.419 15.562
194 1HG MET 29 1HG MET 29 -11.664 5.822 16.133
195 2HG MET 29 2HG MET 29 -13.393 6.162 16.392
196 1HE MET 29 3HE MET 29 -12.928 6.869 18.906
197 2HE MET 29 2HE MET 29 -12.068 5.832 20.082
198 3HE MET 29 1HE MET 29 -11.182 6.528 18.694
199 H ILE 30 H ILE 30 -12.479 6.820 14.069
200 HA ILE 30 HA ILE 30 -15.198 8.115 13.526
201 HB ILE 30 HB ILE 30 -12.410 9.462 13.885
202 1HG1 ILE 30 1HG1 ILE 30 -14.826 9.422 15.842
203 2HG1 ILE 30 2HG1 ILE 30 -13.509 8.280 15.948
204 1HG2 ILE 30 3HG2 ILE 30 -15.234 10.778 13.736
205 2HG2 ILE 30 1HG2 ILE 30 -13.725 11.635 14.135
206 3HG2 ILE 30 2HG2 ILE 30 -13.942 10.960 12.527
207 1HD1 ILE 30 3HD1 ILE 30 -11.835 10.124 16.308
208 2HD1 ILE 30 1HD1 ILE 30 -13.171 11.305 16.328
209 3HD1 ILE 30 2HD1 ILE 30 -13.091 10.034 17.564
210 H GLY 31 H GLY 31 -12.041 8.288 11.916
211 1HA GLY 31 1HA GLY 31 -12.376 7.826 9.196
212 2HA GLY 31 2HA GLY 31 -13.364 9.275 9.320
213 H THR 32 H THR 32 -11.859 10.724 11.125
214 HA THR 32 HA THR 32 -9.411 11.564 9.464
215 HB THR 32 HB THR 32 -9.294 13.576 10.954
216 HG1 THR 32 HG1 THR 32 -11.173 14.046 12.190
217 1HG2 THR 32 1HG2 THR 32 -10.539 13.755 8.750
218 2HG2 THR 32 2HG2 THR 32 -12.060 13.294 9.557
219 3HG2 THR 32 3HG2 THR 32 -11.251 14.820 9.982
220 H ASN 33 H ASN 33 -7.483 11.807 10.481
221 HA ASN 33 HA ASN 33 -5.573 11.226 11.773
222 1HB ASN 33 1HB ASN 33 -7.555 10.452 14.053
223 2HB ASN 33 2HB ASN 33 -5.833 10.333 14.160
224 1HD2 ASN 33 1HD2 ASN 33 -5.385 13.860 14.782
225 2HD2 ASN 33 2HD2 ASN 33 -4.585 12.263 14.366
226 H CYS 34 H CYS 34 -5.852 9.823 9.936
227 HA CYS 34 HA CYS 34 -6.795 7.097 10.047
228 1HB CYS 34 1HB CYS 34 -4.508 8.164 8.291
229 2HB CYS 34 2HB CYS 34 -5.427 6.715 7.960
230 H GLU 35 H GLU 35 -5.410 5.107 9.708
231 HA GLU 35 HA GLU 35 -2.719 5.217 11.212
232 1HB GLU 35 1HB GLU 35 -4.262 2.652 11.649
233 2HB GLU 35 2HB GLU 35 -3.017 3.385 12.569
234 1HG GLU 35 1HG GLU 35 -4.512 5.093 13.570
235 2HG GLU 35 2HG GLU 35 -5.884 4.456 12.665
236 HE1 GLU 35 HE2 GLU 35 -4.328 2.412 15.814
237 H CYS 36 H CYS 36 -1.651 3.096 10.990
238 HA CYS 36 HA CYS 36 -1.089 2.703 8.010
239 1HB CYS 36 1HB CYS 36 0.514 1.766 10.531
240 2HB CYS 36 2HB CYS 36 1.105 1.477 8.973
241 H THR 37 H THR 37 -0.697 0.536 7.183
242 HA THR 37 HA THR 37 -1.989 -1.807 8.635
243 HB THR 37 HB THR 37 -3.872 -0.850 7.442
244 HG1 THR 37 HG1 THR 37 -2.866 -3.170 6.173
245 1HG2 THR 37 3HG2 THR 37 -2.254 -1.281 4.807
246 2HG2 THR 37 1HG2 THR 37 -3.999 -0.973 4.859
247 3HG2 THR 37 2HG2 THR 37 -2.876 0.279 5.413
248 HA PRO 38 HA PRO 38 1.549 -4.102 6.829
249 1HB PRO 38 1HB PRO 38 -0.657 -6.250 6.512
250 2HB PRO 38 2HB PRO 38 0.988 -6.456 7.148
251 1HG PRO 38 1HG PRO 38 -1.079 -6.294 8.882
252 2HG PRO 38 2HG PRO 38 0.429 -5.418 9.243
253 1HD PRO 38 1HD PRO 38 -2.189 -4.253 8.177
254 2HD PRO 38 2HD PRO 38 -1.053 -3.567 9.323
255 H ARG 39 H ARG 39 2.326 -5.014 4.915
256 HA ARG 39 HA ARG 39 1.473 -3.496 2.587
257 1HB ARG 39 1HB ARG 39 3.443 -5.899 2.698
258 2HB ARG 39 2HB ARG 39 3.218 -4.842 1.314
259 1HG ARG 39 1HG ARG 39 3.885 -2.843 2.842
260 2HG ARG 39 2HG ARG 39 4.315 -4.040 4.051
261 1HD ARG 39 1HD ARG 39 6.356 -3.465 2.959
262 2HD ARG 39 2HD ARG 39 5.963 -5.096 2.401
263 1HH1 ARG 39 2HH2 ARG 39 8.016 -4.438 1.515
264 2HH1 ARG 39 1HH2 ARG 39 8.730 -4.039 -0.127
265 1HH2 ARG 39 1HH1 ARG 39 5.780 -2.728 -1.335
266 2HH2 ARG 39 2HH1 ARG 39 7.544 -3.134 -1.634
267 H LEU 40 H LEU 40 0.135 -3.898 1.034
268 HA LEU 40 HA LEU 40 -0.841 -6.749 0.361
269 1HB LEU 40 1HB LEU 40 -2.167 -4.042 -0.270
270 2HB LEU 40 2HB LEU 40 -2.735 -5.594 -0.846
271 HG LEU 40 HG LEU 40 -2.580 -4.812 2.131
272 1HD1 LEU 40 1HD1 LEU 40 -4.238 -3.403 0.910
273 2HD1 LEU 40 2HD1 LEU 40 -5.039 -4.858 0.266
274 3HD1 LEU 40 3HD1 LEU 40 -5.053 -4.524 2.016
275 1HD2 LEU 40 1HD2 LEU 40 -3.935 -7.262 0.812
276 2HD2 LEU 40 2HD2 LEU 40 -2.498 -7.297 1.866
277 3HD2 LEU 40 3HD2 LEU 40 -4.064 -6.805 2.530
278 H ILE 41 H ILE 41 1.020 -7.197 -0.772
279 HA ILE 41 HA ILE 41 2.098 -5.258 -2.817
280 HB ILE 41 HB ILE 41 3.553 -6.380 -1.047
281 1HG1 ILE 41 1HG1 ILE 41 4.375 -7.107 -3.953
282 2HG1 ILE 41 2HG1 ILE 41 4.373 -5.468 -3.327
283 1HG2 ILE 41 3HG2 ILE 41 2.492 -8.745 -1.139
284 2HG2 ILE 41 1HG2 ILE 41 3.263 -9.000 -2.724
285 3HG2 ILE 41 2HG2 ILE 41 4.253 -8.762 -1.270
286 1HD1 ILE 41 2HD1 ILE 41 6.060 -6.109 -1.545
287 2HD1 ILE 41 3HD1 ILE 41 6.153 -7.742 -2.259
288 3HD1 ILE 41 1HD1 ILE 41 6.652 -6.326 -3.209
289 H MET 42 H MET 42 1.793 -5.369 -4.860
290 HA MET 42 HA MET 42 0.923 -7.938 -6.300
291 1HB MET 42 1HB MET 42 -0.367 -5.141 -6.644
292 2HB MET 42 2HB MET 42 -0.627 -6.498 -7.726
293 1HG MET 42 1HG MET 42 -1.429 -6.446 -4.754
294 2HG MET 42 2HG MET 42 -2.512 -6.263 -6.143
295 1HE MET 42 2HE MET 42 -3.898 -8.308 -4.856
296 2HE MET 42 1HE MET 42 -3.185 -9.926 -4.587
297 3HE MET 42 3HE MET 42 -2.580 -8.521 -3.660
298 H GLU 43 H GLU 43 1.733 -4.549 -7.036
299 HA GLU 43 HA GLU 43 3.479 -3.491 -8.236
300 1HB GLU 43 1HB GLU 43 4.863 -6.272 -8.404
301 2HB GLU 43 2HB GLU 43 5.580 -4.729 -8.803
302 1HG GLU 43 1HG GLU 43 5.392 -3.936 -6.434
303 2HG GLU 43 2HG GLU 43 4.623 -5.449 -5.967
304 HE1 GLU 43 HE2 GLU 43 8.601 -5.219 -6.572
305 H GLY 44 H GLY 44 3.648 -2.908 -10.260
306 1HA GLY 44 1HA GLY 44 3.877 -4.525 -12.639
307 2HA GLY 44 2HA GLY 44 2.151 -4.211 -12.469
308 H LEU 45 H LEU 45 5.299 -2.675 -12.782
309 HA LEU 45 HA LEU 45 4.097 -0.538 -14.551
310 1HB LEU 45 1HB LEU 45 4.151 0.488 -12.214
311 2HB LEU 45 2HB LEU 45 5.873 0.184 -12.124
312 HG LEU 45 HG LEU 45 6.210 1.746 -14.128
313 1HD1 LEU 45 1HD1 LEU 45 3.218 2.427 -13.713
314 2HD1 LEU 45 2HD1 LEU 45 4.358 3.347 -14.726
315 3HD1 LEU 45 3HD1 LEU 45 3.932 1.687 -15.167
316 1HD2 LEU 45 3HD2 LEU 45 6.568 2.525 -11.783
317 2HD2 LEU 45 1HD2 LEU 45 5.925 3.835 -12.791
318 3HD2 LEU 45 2HD2 LEU 45 4.853 2.987 -11.647
319 H SER 46 H SER 46 5.070 -1.545 -16.182
320 HA SER 46 HA SER 46 6.654 -2.433 -17.716
321 1HB SER 46 1HB SER 46 7.941 -0.249 -17.352
322 2HB SER 46 2HB SER 46 8.838 -0.983 -16.020
323 HG SER 46 HG SER 46 8.717 -1.934 -18.690
324 H PHE 47 H PHE 47 8.803 -2.652 -14.892
325 HA PHE 47 HA PHE 47 8.690 -5.684 -14.891
326 1HB PHE 47 1HB PHE 47 10.432 -5.592 -13.220
327 2HB PHE 47 2HB PHE 47 10.872 -4.515 -14.498
328 HD1 PHE 47 HD2 PHE 47 10.740 -1.948 -14.095
329 HD2 PHE 47 HD1 PHE 47 10.145 -4.785 -10.913
330 HE1 PHE 47 HE2 PHE 47 11.087 -0.171 -12.430
331 HE2 PHE 47 HE1 PHE 47 10.500 -2.996 -9.264
332 HZ PHE 47 HZ PHE 47 10.966 -0.687 -10.016
333 H ALA 48 H ALA 48 7.747 -6.910 -13.353
334 HA ALA 48 HA ALA 48 5.858 -5.614 -11.294
335 1HB ALA 48 1HB ALA 48 5.932 -8.518 -12.371
336 2HB ALA 48 2HB ALA 48 4.781 -7.863 -11.182
337 3HB ALA 48 3HB ALA 48 4.773 -7.248 -12.845
338 HXT ALA 48 HO ALA 48 8.340 -6.159 -8.977
No H/Q in entry = 338
Start of MODEL 14
Raw file had 348 H/Q atoms
Start of MODEL 14
1 1H GLU 1 1H GLU 1 9.880 6.648 11.161
2 2H GLU 1 2H GLU 1 10.306 5.408 10.157
3 3H GLU 1 3H GLU 1 9.837 5.090 11.709
4 HA GLU 1 HA GLU 1 11.787 6.241 12.615
5 1HB GLU 1 1HB GLU 1 13.494 4.585 11.919
6 2HB GLU 1 2HB GLU 1 11.967 3.845 12.320
7 1HG GLU 1 1HG GLU 1 11.502 3.560 9.782
8 2HG GLU 1 2HG GLU 1 13.123 4.161 9.471
9 HE2 GLU 1 HE2 GLU 1 12.494 0.438 10.858
10 H ASP 2 H ASP 2 12.202 8.252 12.101
11 HA ASP 2 HA ASP 2 13.040 10.228 11.103
12 1HB ASP 2 1HB ASP 2 15.168 8.752 11.079
13 2HB ASP 2 2HB ASP 2 14.824 8.296 9.423
14 HD2 ASP 2 HD2 ASP 2 15.081 9.707 7.897
15 H ASN 3 H ASN 3 11.111 10.754 10.197
16 HA ASN 3 HA ASN 3 9.727 11.695 8.547
17 1HB ASN 3 1HB ASN 3 11.928 10.835 6.565
18 2HB ASN 3 2HB ASN 3 10.677 11.977 6.153
19 1HD2 ASN 3 1HD2 ASN 3 12.281 14.809 7.740
20 2HD2 ASN 3 2HD2 ASN 3 10.668 14.100 7.228
21 H CYS 4 H CYS 4 9.926 8.844 8.948
22 HA CYS 4 HA CYS 4 7.661 8.064 6.953
23 1HB CYS 4 2HB CYS 4 8.338 5.725 7.169
24 2HB CYS 4 1HB CYS 4 9.074 6.608 6.002
25 H ILE 5 H ILE 5 6.754 6.057 7.631
26 HA ILE 5 HA ILE 5 6.010 6.077 10.686
27 HB ILE 5 HB ILE 5 3.891 4.931 8.774
28 1HG1 ILE 5 1HG1 ILE 5 3.877 7.715 9.984
29 2HG1 ILE 5 2HG1 ILE 5 4.283 7.447 8.317
30 1HG2 ILE 5 2HG2 ILE 5 3.942 4.217 11.229
31 2HG2 ILE 5 3HG2 ILE 5 3.611 5.912 11.663
32 3HG2 ILE 5 1HG2 ILE 5 2.461 4.976 10.683
33 1HD1 ILE 5 3HD1 ILE 5 1.601 6.604 9.466
34 2HD1 ILE 5 1HD1 ILE 5 1.928 8.073 8.525
35 3HD1 ILE 5 2HD1 ILE 5 2.104 6.465 7.775
36 H ALA 6 H ALA 6 7.481 4.516 11.260
37 HA ALA 6 HA ALA 6 8.049 2.137 9.555
38 1HB ALA 6 2HB ALA 6 9.762 3.031 11.274
39 2HB ALA 6 3HB ALA 6 8.666 2.625 12.618
40 3HB ALA 6 1HB ALA 6 9.418 1.340 11.642
41 H GLU 7 H GLU 7 5.636 2.776 11.402
42 HA GLU 7 HA GLU 7 3.801 1.761 12.626
43 1HB GLU 7 1HB GLU 7 2.381 1.328 10.754
44 2HB GLU 7 2HB GLU 7 3.564 2.312 10.055
45 1HG GLU 7 1HG GLU 7 3.004 -0.713 9.725
46 2HG GLU 7 2HG GLU 7 2.855 0.501 8.508
47 HE2 GLU 7 HE2 GLU 7 5.997 -1.752 8.553
48 H ASP 8 H ASP 8 2.413 0.460 12.825
49 HA ASP 8 HA ASP 8 1.717 -2.040 12.140
50 1HB ASP 8 1HB ASP 8 3.316 -3.255 13.301
51 2HB ASP 8 2HB ASP 8 3.045 -2.321 14.829
52 HD1 ASP 8 HD2 ASP 8 1.470 -4.283 12.506
53 H TYR 9 H TYR 9 0.215 -1.337 12.339
54 HA TYR 9 HA TYR 9 -1.822 0.332 12.428
55 1HB TYR 9 1HB TYR 9 -1.707 -0.527 15.405
56 2HB TYR 9 2HB TYR 9 -3.110 -0.034 14.493
57 HD1 TYR 9 HD2 TYR 9 -3.326 -1.601 12.127
58 HD2 TYR 9 HD1 TYR 9 -1.309 -2.910 15.676
59 HE1 TYR 9 HE2 TYR 9 -3.721 -3.930 11.483
60 HE2 TYR 9 HE1 TYR 9 -1.704 -5.235 15.033
61 HH TYR 9 HH TYR 9 -3.380 -6.064 12.003
62 H GLY 10 H GLY 10 0.602 1.460 12.342
63 1HA GLY 10 1HA GLY 10 1.278 3.561 14.209
64 2HA GLY 10 2HA GLY 10 1.593 3.681 12.498
65 H LYS 11 H LYS 11 1.143 5.829 13.562
66 HA LYS 11 HA LYS 11 -1.772 6.713 12.964
67 1HB LYS 11 1HB LYS 11 0.378 8.586 13.987
68 2HB LYS 11 2HB LYS 11 -1.274 8.992 13.734
69 1HG LYS 11 1HG LYS 11 -0.578 6.857 15.847
70 2HG LYS 11 2HG LYS 11 -0.420 8.564 16.175
71 1HD LYS 11 1HD LYS 11 -2.518 7.898 17.050
72 2HD LYS 11 2HD LYS 11 -2.832 8.976 15.699
73 1HE LYS 11 1HE LYS 11 -3.486 7.030 14.247
74 2HE LYS 11 2HE LYS 11 -3.022 5.886 15.517
75 1HZ LYS 11 1HZ LYS 11 -5.151 7.945 15.744
76 2HZ LYS 11 2HZ LYS 11 -4.740 6.890 16.923
77 H CYS 12 H CYS 12 -2.040 7.608 11.267
78 HA CYS 12 HA CYS 12 0.057 8.770 9.357
79 1HB CYS 12 1HB CYS 12 -0.690 7.462 7.399
80 2HB CYS 12 2HB CYS 12 -0.343 6.306 8.646
81 H THR 13 H THR 13 -1.008 9.608 7.381
82 HA THR 13 HA THR 13 -3.901 10.488 7.745
83 HB THR 13 HB THR 13 -3.762 12.725 7.934
84 HG1 THR 13 HG1 THR 13 -2.853 12.974 5.874
85 1HG2 THR 13 2HG2 THR 13 -2.018 12.261 9.785
86 2HG2 THR 13 3HG2 THR 13 -0.712 12.440 8.579
87 3HG2 THR 13 1HG2 THR 13 -1.728 13.831 9.004
88 H TRP 14 H TRP 14 -4.808 11.107 5.918
89 HA TRP 14 HA TRP 14 -3.612 10.176 3.246
90 1HB TRP 14 1HB TRP 14 -6.438 11.242 3.835
91 2HB TRP 14 2HB TRP 14 -5.866 10.650 2.290
92 HD1 TRP 14 HD1 TRP 14 -4.391 7.863 4.155
93 HE1 TRP 14 HE1 TRP 14 -6.029 5.889 4.632
94 HE3 TRP 14 HE3 TRP 14 -8.761 10.449 3.328
95 HZ2 TRP 14 HZ2 TRP 14 -8.877 5.620 4.631
96 HZ3 TRP 14 HZ3 TRP 14 -10.907 9.268 3.647
97 HH2 TRP 14 HH2 TRP 14 -10.962 6.892 4.289
98 H GLY 15 H GLY 15 -2.197 11.631 2.689
99 1HA GLY 15 1HA GLY 15 -1.466 13.796 1.667
100 2HA GLY 15 2HA GLY 15 -2.798 14.636 2.459
101 H GLY 16 H GLY 16 -0.012 12.608 3.211
102 1HA GLY 16 1HA GLY 16 1.161 14.205 5.521
103 2HA GLY 16 2HA GLY 16 0.114 12.908 6.004
104 H THR 17 H THR 17 1.936 12.187 6.929
105 HA THR 17 HA THR 17 4.020 10.703 5.309
106 HB THR 17 HB THR 17 3.493 9.785 8.202
107 HG1 THR 17 HG1 THR 17 4.877 12.157 7.413
108 1HG2 THR 17 3HG2 THR 17 5.350 8.722 6.810
109 2HG2 THR 17 1HG2 THR 17 6.135 10.291 6.635
110 3HG2 THR 17 2HG2 THR 17 5.964 9.543 8.238
111 H LYS 18 H LYS 18 4.043 8.670 4.890
112 HA LYS 18 HA LYS 18 1.722 6.708 5.415
113 1HB LYS 18 1HB LYS 18 3.396 6.408 2.922
114 2HB LYS 18 2HB LYS 18 1.901 5.677 3.330
115 1HG LYS 18 1HG LYS 18 2.134 8.616 2.495
116 2HG LYS 18 2HG LYS 18 1.622 7.278 1.479
117 1HD LYS 18 1HD LYS 18 -0.346 6.838 3.000
118 2HD LYS 18 2HD LYS 18 0.118 8.181 4.030
119 1HE LYS 18 1HE LYS 18 -0.677 8.428 1.048
120 2HE LYS 18 2HE LYS 18 -1.751 8.713 2.416
121 1HZ LYS 18 1HZ LYS 18 -0.343 10.523 3.130
122 2HZ LYS 18 2HZ LYS 18 -0.876 10.765 1.604
123 H CYS 19 H CYS 19 2.690 4.615 4.806
124 HA CYS 19 HA CYS 19 4.555 4.187 7.145
125 1HB CYS 19 1HB CYS 19 2.742 2.349 5.524
126 2HB CYS 19 2HB CYS 19 4.017 1.634 6.549
127 H CYS 20 H CYS 20 6.379 3.322 7.185
128 HA CYS 20 HA CYS 20 8.204 4.517 5.741
129 1HB CYS 20 1HB CYS 20 8.474 3.398 7.999
130 2HB CYS 20 2HB CYS 20 9.040 1.928 7.204
131 H ARG 21 H ARG 21 7.556 1.084 5.322
132 HA ARG 21 HA ARG 21 9.674 0.728 3.129
133 1HB ARG 21 1HB ARG 21 9.402 -0.890 5.236
134 2HB ARG 21 2HB ARG 21 7.913 -1.446 4.502
135 1HG ARG 21 1HG ARG 21 9.652 -3.047 4.096
136 2HG ARG 21 2HG ARG 21 9.245 -2.351 2.540
137 1HD ARG 21 1HD ARG 21 11.304 -0.850 2.677
138 2HD ARG 21 2HD ARG 21 11.691 -1.541 4.263
139 1HH1 ARG 21 2HH2 ARG 21 13.719 -1.188 2.879
140 2HH1 ARG 21 1HH2 ARG 21 14.992 -2.249 2.090
141 1HH2 ARG 21 1HH1 ARG 21 12.795 -4.853 1.553
142 2HH2 ARG 21 2HH1 ARG 21 14.500 -4.194 1.387
143 H GLY 22 H GLY 22 7.423 2.092 2.750
144 1HA GLY 22 1HA GLY 22 6.047 2.731 0.744
145 2HA GLY 22 2HA GLY 22 6.653 1.309 -0.068
146 H ARG 23 H ARG 23 4.867 1.894 2.759
147 HA ARG 23 HA ARG 23 2.776 -0.243 2.064
148 1HB ARG 23 1HB ARG 23 3.961 0.746 4.687
149 2HB ARG 23 2HB ARG 23 2.558 -0.291 4.704
150 1HG ARG 23 1HG ARG 23 5.428 -0.912 3.777
151 2HG ARG 23 2HG ARG 23 4.638 -1.397 5.253
152 1HD ARG 23 1HD ARG 23 4.546 -3.383 4.039
153 2HD ARG 23 2HD ARG 23 2.920 -2.739 3.792
154 1HH1 ARG 23 2HH2 ARG 23 3.984 -5.013 2.644
155 2HH1 ARG 23 1HH2 ARG 23 4.197 -5.552 0.903
156 1HH2 ARG 23 1HH1 ARG 23 4.540 -2.327 -0.274
157 2HH2 ARG 23 2HH1 ARG 23 4.492 -4.124 -0.645
158 HA PRO 24 HA PRO 24 -0.368 2.990 2.136
159 1HB PRO 24 1HB PRO 24 -2.661 1.447 1.900
160 2HB PRO 24 2HB PRO 24 -1.404 1.463 0.658
161 1HG PRO 24 1HG PRO 24 -1.773 -0.604 2.896
162 2HG PRO 24 2HG PRO 24 -1.587 -0.907 1.152
163 1HD PRO 24 1HD PRO 24 0.562 -1.012 2.901
164 2HD PRO 24 2HD PRO 24 0.746 -0.445 1.212
165 H CYS 25 H CYS 25 -2.553 3.481 3.046
166 HA CYS 25 HA CYS 25 -2.758 3.128 6.066
167 1HB CYS 25 1HB CYS 25 -1.317 4.976 6.035
168 2HB CYS 25 2HB CYS 25 -1.991 5.650 4.555
169 H ARG 26 H ARG 26 -4.752 3.526 6.855
170 HA ARG 26 HA ARG 26 -7.106 4.230 5.144
171 1HB ARG 26 1HB ARG 26 -6.684 1.745 4.673
172 2HB ARG 26 2HB ARG 26 -6.884 1.410 6.387
173 1HG ARG 26 1HG ARG 26 -9.285 2.291 6.247
174 2HG ARG 26 2HG ARG 26 -9.035 2.619 4.538
175 1HD ARG 26 1HD ARG 26 -10.228 0.523 4.692
176 2HD ARG 26 2HD ARG 26 -8.600 0.157 4.115
177 1HH1 ARG 26 2HH2 ARG 26 -9.543 -1.844 4.074
178 2HH1 ARG 26 1HH2 ARG 26 -9.463 -3.444 4.969
179 1HH2 ARG 26 1HH1 ARG 26 -8.716 -1.972 7.992
180 2HH2 ARG 26 2HH1 ARG 26 -9.026 -3.509 7.038
181 H CYS 27 H CYS 27 -8.593 5.224 6.557
182 HA CYS 27 HA CYS 27 -7.463 5.835 9.049
183 1HB CYS 27 1HB CYS 27 -10.180 6.528 7.873
184 2HB CYS 27 2HB CYS 27 -10.003 6.947 9.529
185 H SER 28 H SER 28 -8.669 6.013 11.042
186 HA SER 28 HA SER 28 -9.214 3.430 12.438
187 1HB SER 28 1HB SER 28 -7.969 5.705 13.200
188 2HB SER 28 2HB SER 28 -9.595 6.309 13.512
189 HG SER 28 HG SER 28 -8.630 5.329 15.287
190 H MET 29 H MET 29 -10.922 4.195 14.205
191 HA MET 29 HA MET 29 -13.390 2.877 13.175
192 1HB MET 29 1HB MET 29 -14.104 2.910 15.518
193 2HB MET 29 2HB MET 29 -12.403 2.512 15.409
194 1HG MET 29 1HG MET 29 -12.417 3.779 17.322
195 2HG MET 29 2HG MET 29 -11.958 5.019 16.147
196 1HE MET 29 1HE MET 29 -12.744 6.930 17.856
197 2HE MET 29 3HE MET 29 -14.347 6.961 18.647
198 3HE MET 29 2HE MET 29 -13.174 5.675 19.061
199 H ILE 30 H ILE 30 -12.778 6.024 14.313
200 HA ILE 30 HA ILE 30 -15.612 7.084 13.968
201 HB ILE 30 HB ILE 30 -14.002 7.918 15.796
202 1HG1 ILE 30 1HG1 ILE 30 -14.949 10.192 13.907
203 2HG1 ILE 30 2HG1 ILE 30 -16.046 9.229 14.882
204 1HG2 ILE 30 3HG2 ILE 30 -11.868 8.095 14.322
205 2HG2 ILE 30 1HG2 ILE 30 -12.567 9.538 13.550
206 3HG2 ILE 30 2HG2 ILE 30 -12.190 9.541 15.282
207 1HD1 ILE 30 1HD1 ILE 30 -14.910 10.003 17.004
208 2HD1 ILE 30 2HD1 ILE 30 -13.846 11.055 16.031
209 3HD1 ILE 30 3HD1 ILE 30 -15.601 11.335 16.045
210 H GLY 31 H GLY 31 -12.625 7.445 12.100
211 1HA GLY 31 1HA GLY 31 -13.176 7.383 9.469
212 2HA GLY 31 2HA GLY 31 -14.244 8.732 9.781
213 H THR 32 H THR 32 -12.393 9.975 11.687
214 HA THR 32 HA THR 32 -10.279 11.114 9.747
215 HB THR 32 HB THR 32 -10.216 13.159 11.202
216 HG1 THR 32 HG1 THR 32 -12.592 12.023 12.302
217 1HG2 THR 32 1HG2 THR 32 -11.647 13.192 9.106
218 2HG2 THR 32 2HG2 THR 32 -13.053 12.626 10.045
219 3HG2 THR 32 3HG2 THR 32 -12.337 14.219 10.381
220 H ASN 33 H ASN 33 -8.264 11.614 10.700
221 HA ASN 33 HA ASN 33 -6.301 11.334 11.998
222 1HB ASN 33 1HB ASN 33 -8.185 10.254 14.241
223 2HB ASN 33 2HB ASN 33 -6.474 10.223 14.360
224 1HD2 ASN 33 1HD2 ASN 33 -6.262 13.741 15.169
225 2HD2 ASN 33 2HD2 ASN 33 -5.361 12.201 14.742
226 H CYS 34 H CYS 34 -6.289 9.956 10.122
227 HA CYS 34 HA CYS 34 -7.107 7.290 10.110
228 1HB CYS 34 1HB CYS 34 -4.813 8.470 8.494
229 2HB CYS 34 2HB CYS 34 -5.301 6.812 8.208
230 H GLU 35 H GLU 35 -5.804 5.286 9.830
231 HA GLU 35 HA GLU 35 -3.181 5.178 11.442
232 1HB GLU 35 1HB GLU 35 -4.948 2.701 11.432
233 2HB GLU 35 2HB GLU 35 -3.534 2.992 12.328
234 1HG GLU 35 1HG GLU 35 -4.466 4.639 13.813
235 2HG GLU 35 2HG GLU 35 -6.030 4.594 13.001
236 HE2 GLU 35 HE2 GLU 35 -7.112 1.672 14.483
237 H CYS 36 H CYS 36 -2.212 3.096 10.952
238 HA CYS 36 HA CYS 36 -1.656 3.009 7.921
239 1HB CYS 36 1HB CYS 36 0.248 3.535 9.520
240 2HB CYS 36 2HB CYS 36 0.109 1.908 10.220
241 H THR 37 H THR 37 -1.867 1.111 6.794
242 HA THR 37 HA THR 37 -2.895 -1.446 8.198
243 HB THR 37 HB THR 37 -3.487 -2.223 5.884
244 HG1 THR 37 HG1 THR 37 -2.296 -0.621 4.745
245 1HG2 THR 37 3HG2 THR 37 -4.957 0.291 6.949
246 2HG2 THR 37 1HG2 THR 37 -5.646 -0.894 5.808
247 3HG2 THR 37 2HG2 THR 37 -5.244 -1.387 7.467
248 HA PRO 38 HA PRO 38 1.551 -2.570 7.419
249 1HB PRO 38 1HB PRO 38 0.529 -5.216 8.624
250 2HB PRO 38 2HB PRO 38 1.998 -4.309 9.032
251 1HG PRO 38 1HG PRO 38 -0.163 -4.183 10.678
252 2HG PRO 38 2HG PRO 38 0.748 -2.697 10.313
253 1HD PRO 38 1HD PRO 38 -1.926 -3.564 9.080
254 2HD PRO 38 2HD PRO 38 -1.388 -1.976 9.655
255 H ARG 39 H ARG 39 -1.082 -4.723 6.442
256 HA ARG 39 HA ARG 39 -1.220 -6.608 4.953
257 1HB ARG 39 1HB ARG 39 -0.663 -6.042 2.618
258 2HB ARG 39 2HB ARG 39 -1.546 -4.755 3.384
259 1HG ARG 39 1HG ARG 39 0.413 -3.305 3.483
260 2HG ARG 39 2HG ARG 39 1.509 -4.578 2.996
261 1HD ARG 39 1HD ARG 39 -0.735 -3.445 1.200
262 2HD ARG 39 2HD ARG 39 0.944 -2.893 1.213
263 1HH1 ARG 39 2HH2 ARG 39 0.568 -2.671 -0.900
264 2HH1 ARG 39 1HH2 ARG 39 1.032 -3.452 -2.494
265 1HH2 ARG 39 1HH1 ARG 39 1.304 -6.602 -1.128
266 2HH2 ARG 39 2HH1 ARG 39 1.421 -5.529 -2.612
267 H LEU 40 H LEU 40 0.269 -7.638 6.509
268 HA LEU 40 HA LEU 40 3.043 -8.336 5.497
269 1HB LEU 40 1HB LEU 40 3.360 -9.408 7.604
270 2HB LEU 40 2HB LEU 40 2.649 -7.868 7.883
271 HG LEU 40 HG LEU 40 1.822 -9.166 9.541
272 1HD1 LEU 40 1HD1 LEU 40 -0.070 -7.883 8.564
273 2HD1 LEU 40 2HD1 LEU 40 -0.572 -9.316 7.630
274 3HD1 LEU 40 3HD1 LEU 40 -0.608 -9.348 9.407
275 1HD2 LEU 40 3HD2 LEU 40 2.509 -11.404 8.785
276 2HD2 LEU 40 1HD2 LEU 40 0.895 -11.420 9.512
277 3HD2 LEU 40 2HD2 LEU 40 1.069 -11.537 7.753
278 H ILE 41 H ILE 41 -0.074 -10.007 5.860
279 HA ILE 41 HA ILE 41 -1.039 -11.874 4.751
280 HB ILE 41 HB ILE 41 1.290 -11.563 2.683
281 1HG1 ILE 41 1HG1 ILE 41 0.260 -9.364 2.825
282 2HG1 ILE 41 2HG1 ILE 41 -0.230 -10.129 1.345
283 1HG2 ILE 41 1HG2 ILE 41 -1.566 -12.777 2.443
284 2HG2 ILE 41 2HG2 ILE 41 -0.419 -12.569 1.096
285 3HG2 ILE 41 3HG2 ILE 41 -0.037 -13.682 2.414
286 1HD1 ILE 41 1HD1 ILE 41 -2.019 -9.795 3.850
287 2HD1 ILE 41 2HD1 ILE 41 -2.110 -8.862 2.341
288 3HD1 ILE 41 3HD1 ILE 41 -2.536 -10.588 2.337
289 H MET 42 H MET 42 -0.719 -13.340 6.298
290 HA MET 42 HA MET 42 -0.062 -15.331 7.410
291 1HB MET 42 1HB MET 42 -0.349 -16.128 4.965
292 2HB MET 42 2HB MET 42 1.376 -15.942 4.704
293 1HG MET 42 1HG MET 42 1.823 -17.678 6.491
294 2HG MET 42 2HG MET 42 0.087 -17.833 6.792
295 1HE MET 42 1HE MET 42 -1.330 -19.610 5.608
296 2HE MET 42 3HE MET 42 -1.639 -18.267 4.462
297 3HE MET 42 2HE MET 42 -1.247 -19.899 3.845
298 H GLU 43 H GLU 43 3.012 -15.444 5.692
299 HA GLU 43 HA GLU 43 5.265 -15.080 6.291
300 1HB GLU 43 1HB GLU 43 4.261 -13.414 8.720
301 2HB GLU 43 2HB GLU 43 5.901 -13.502 8.145
302 1HG GLU 43 1HG GLU 43 3.557 -12.250 6.595
303 2HG GLU 43 2HG GLU 43 4.779 -11.389 7.506
304 HE2 GLU 43 HE2 GLU 43 5.499 -12.714 3.781
305 H GLY 44 H GLY 44 6.642 -16.327 7.309
306 1HA GLY 44 1HA GLY 44 7.653 -17.590 9.141
307 2HA GLY 44 2HA GLY 44 6.166 -17.520 10.060
308 H LEU 45 H LEU 45 7.993 -19.304 7.752
309 HA LEU 45 HA LEU 45 5.893 -21.187 6.828
310 1HB LEU 45 1HB LEU 45 7.676 -22.311 5.704
311 2HB LEU 45 2HB LEU 45 7.995 -20.626 5.577
312 HG LEU 45 HG LEU 45 10.045 -21.653 5.704
313 1HD1 LEU 45 3HD1 LEU 45 10.028 -19.622 7.152
314 2HD1 LEU 45 1HD1 LEU 45 9.770 -20.642 8.590
315 3HD1 LEU 45 2HD1 LEU 45 11.267 -20.794 7.643
316 1HD2 LEU 45 3HD2 LEU 45 9.358 -23.905 6.556
317 2HD2 LEU 45 1HD2 LEU 45 10.897 -23.329 7.221
318 3HD2 LEU 45 2HD2 LEU 45 9.437 -23.292 8.225
319 H SER 46 H SER 46 7.814 -21.241 9.779
320 HA SER 46 HA SER 46 6.939 -24.115 10.404
321 1HB SER 46 1HB SER 46 8.278 -23.868 12.478
322 2HB SER 46 2HB SER 46 9.255 -23.594 11.042
323 HG SER 46 HG SER 46 9.633 -22.072 12.666
324 H PHE 47 H PHE 47 4.873 -24.140 10.898
325 HA PHE 47 HA PHE 47 3.488 -21.799 12.293
326 1HB PHE 47 1HB PHE 47 2.352 -24.242 10.771
327 2HB PHE 47 2HB PHE 47 1.379 -23.024 11.545
328 HD1 PHE 47 HD2 PHE 47 1.415 -20.596 10.697
329 HD2 PHE 47 HD1 PHE 47 3.349 -23.789 8.554
330 HE1 PHE 47 HE2 PHE 47 1.450 -19.221 8.656
331 HE2 PHE 47 HE1 PHE 47 3.379 -22.398 6.527
332 HZ PHE 47 HZ PHE 47 2.432 -20.119 6.569
333 H ALA 48 H ALA 48 3.092 -25.349 12.489
334 HA ALA 48 HA ALA 48 2.389 -25.144 15.454
335 1HB ALA 48 1HB ALA 48 2.320 -27.587 13.543
336 2HB ALA 48 2HB ALA 48 1.733 -27.551 15.224
337 3HB ALA 48 3HB ALA 48 0.931 -26.564 13.989
338 HXT ALA 48 HO ALA 48 5.441 -26.004 16.668
No H/Q in entry = 338
Start of MODEL 15
Raw file had 348 H/Q atoms
Start of MODEL 15
1 1H GLU 1 2H GLU 1 13.763 5.424 11.837
2 2H GLU 1 3H GLU 1 13.087 5.725 13.314
3 3H GLU 1 1H GLU 1 12.507 4.496 12.375
4 HA GLU 1 HA GLU 1 11.720 6.057 10.678
5 1HB GLU 1 1HB GLU 1 10.761 6.549 13.587
6 2HB GLU 1 2HB GLU 1 9.974 7.275 12.194
7 1HG GLU 1 1HG GLU 1 9.408 5.064 11.228
8 2HG GLU 1 2HG GLU 1 10.287 4.230 12.504
9 HE1 GLU 1 HE2 GLU 1 6.733 6.045 13.338
10 H ASP 2 H ASP 2 12.872 7.585 9.742
11 HA ASP 2 HA ASP 2 13.859 10.085 11.218
12 1HB ASP 2 1HB ASP 2 14.276 9.134 8.297
13 2HB ASP 2 2HB ASP 2 14.787 10.695 8.903
14 HD2 ASP 2 HD2 ASP 2 15.328 7.422 8.883
15 H ASN 3 H ASN 3 11.986 9.359 8.264
16 HA ASN 3 HA ASN 3 9.684 10.989 9.132
17 1HB ASN 3 1HB ASN 3 10.952 12.702 8.429
18 2HB ASN 3 2HB ASN 3 11.357 12.129 6.797
19 1HD2 ASN 3 1HD2 ASN 3 8.335 13.670 5.503
20 2HD2 ASN 3 2HD2 ASN 3 9.932 12.822 5.190
21 H CYS 4 H CYS 4 9.507 9.098 9.033
22 HA CYS 4 HA CYS 4 7.574 8.042 6.922
23 1HB CYS 4 1HB CYS 4 8.337 5.927 6.748
24 2HB CYS 4 2HB CYS 4 9.418 6.840 5.879
25 H ILE 5 H ILE 5 6.449 6.035 7.565
26 HA ILE 5 HA ILE 5 6.043 5.973 10.667
27 HB ILE 5 HB ILE 5 3.663 5.338 8.823
28 1HG1 ILE 5 1HG1 ILE 5 4.077 7.917 10.338
29 2HG1 ILE 5 2HG1 ILE 5 4.566 7.807 8.665
30 1HG2 ILE 5 3HG2 ILE 5 3.872 5.833 11.868
31 2HG2 ILE 5 1HG2 ILE 5 2.375 5.586 10.961
32 3HG2 ILE 5 2HG2 ILE 5 3.531 4.291 11.046
33 1HD1 ILE 5 3HD1 ILE 5 1.768 7.105 9.507
34 2HD1 ILE 5 1HD1 ILE 5 2.234 8.718 8.942
35 3HD1 ILE 5 2HD1 ILE 5 2.364 7.302 7.857
36 H ALA 6 H ALA 6 7.376 4.211 10.932
37 HA ALA 6 HA ALA 6 7.308 1.892 8.985
38 1HB ALA 6 2HB ALA 6 9.505 2.744 10.020
39 2HB ALA 6 3HB ALA 6 8.947 2.223 11.635
40 3HB ALA 6 1HB ALA 6 9.261 1.022 10.359
41 H GLU 7 H GLU 7 5.251 2.544 11.034
42 HA GLU 7 HA GLU 7 4.906 0.117 12.734
43 1HB GLU 7 1HB GLU 7 3.240 2.676 12.483
44 2HB GLU 7 2HB GLU 7 2.994 1.472 13.729
45 1HG GLU 7 1HG GLU 7 5.250 1.910 14.710
46 2HG GLU 7 2HG GLU 7 5.600 3.095 13.457
47 HE1 GLU 7 HE2 GLU 7 3.132 3.951 16.537
48 H ASP 8 H ASP 8 3.214 -1.019 13.151
49 HA ASP 8 HA ASP 8 1.208 -1.464 10.896
50 1HB ASP 8 1HB ASP 8 1.844 -3.377 13.147
51 2HB ASP 8 2HB ASP 8 0.537 -3.593 12.024
52 HD2 ASP 8 HD2 ASP 8 0.942 -5.132 10.921
53 H TYR 9 H TYR 9 -0.446 -0.853 11.391
54 HA TYR 9 HA TYR 9 -2.207 0.745 12.176
55 1HB TYR 9 1HB TYR 9 -1.870 -0.976 14.754
56 2HB TYR 9 2HB TYR 9 -3.247 0.015 14.361
57 HD1 TYR 9 HD1 TYR 9 -4.656 -0.568 12.219
58 HD2 TYR 9 HD2 TYR 9 -1.688 -3.259 13.775
59 HE1 TYR 9 HE1 TYR 9 -5.570 -2.418 10.828
60 HE2 TYR 9 HE2 TYR 9 -2.605 -5.063 12.325
61 HH TYR 9 HH TYR 9 -4.230 -5.696 11.054
62 H GLY 10 H GLY 10 0.378 1.738 12.248
63 1HA GLY 10 1HA GLY 10 1.165 3.585 14.409
64 2HA GLY 10 2HA GLY 10 1.406 3.809 12.745
65 H LYS 11 H LYS 11 1.112 5.975 13.638
66 HA LYS 11 HA LYS 11 -1.793 6.905 13.049
67 1HB LYS 11 1HB LYS 11 0.345 8.862 13.964
68 2HB LYS 11 2HB LYS 11 -1.357 9.112 13.793
69 1HG LYS 11 1HG LYS 11 -1.841 7.520 15.722
70 2HG LYS 11 2HG LYS 11 -0.113 7.330 15.967
71 1HD LYS 11 1HD LYS 11 -0.836 8.925 17.596
72 2HD LYS 11 2HD LYS 11 0.127 9.794 16.423
73 1HE LYS 11 1HE LYS 11 -1.759 11.194 17.018
74 2HE LYS 11 2HE LYS 11 -2.003 10.706 15.347
75 1HZ LYS 11 1HZ LYS 11 -3.301 9.453 17.710
76 2HZ LYS 11 2HZ LYS 11 -3.538 8.983 16.162
77 H CYS 12 H CYS 12 -1.994 7.799 11.238
78 HA CYS 12 HA CYS 12 0.170 9.074 9.515
79 1HB CYS 12 1HB CYS 12 -0.490 7.932 7.380
80 2HB CYS 12 2HB CYS 12 0.064 6.737 8.490
81 H THR 13 H THR 13 -0.854 10.034 7.518
82 HA THR 13 HA THR 13 -3.785 10.879 7.965
83 HB THR 13 HB THR 13 -3.580 13.105 8.336
84 HG1 THR 13 HG1 THR 13 -1.949 14.442 7.480
85 1HG2 THR 13 2HG2 THR 13 -1.941 12.371 10.187
86 2HG2 THR 13 3HG2 THR 13 -0.579 12.617 9.055
87 3HG2 THR 13 1HG2 THR 13 -1.557 13.999 9.582
88 H TRP 14 H TRP 14 -4.768 11.718 6.269
89 HA TRP 14 HA TRP 14 -3.762 11.119 3.461
90 1HB TRP 14 1HB TRP 14 -6.399 12.414 4.403
91 2HB TRP 14 2HB TRP 14 -5.978 12.138 2.729
92 HD1 TRP 14 HD1 TRP 14 -4.821 8.875 3.554
93 HE1 TRP 14 HE1 TRP 14 -6.680 7.028 3.498
94 HE3 TRP 14 HE3 TRP 14 -8.822 12.031 4.130
95 HZ2 TRP 14 HZ2 TRP 14 -9.531 7.094 3.712
96 HZ3 TRP 14 HZ3 TRP 14 -11.090 11.061 4.234
97 HH2 TRP 14 HH2 TRP 14 -11.441 8.633 4.024
98 H GLY 15 H GLY 15 -2.214 12.491 2.924
99 1HA GLY 15 1HA GLY 15 -1.251 14.658 2.184
100 2HA GLY 15 2HA GLY 15 -2.501 15.538 3.060
101 H GLY 16 H GLY 16 0.091 13.214 3.588
102 1HA GLY 16 1HA GLY 16 1.333 14.498 6.079
103 2HA GLY 16 2HA GLY 16 0.281 13.145 6.351
104 H THR 17 H THR 17 2.118 12.320 7.177
105 HA THR 17 HA THR 17 4.109 10.985 5.299
106 HB THR 17 HB THR 17 3.790 9.920 8.174
107 HG1 THR 17 HG1 THR 17 5.183 12.282 7.360
108 1HG2 THR 17 2HG2 THR 17 5.459 8.846 6.639
109 2HG2 THR 17 3HG2 THR 17 6.293 10.388 6.408
110 3HG2 THR 17 1HG2 THR 17 6.225 9.624 8.015
111 H LYS 18 H LYS 18 4.064 8.979 4.759
112 HA LYS 18 HA LYS 18 1.616 7.104 5.068
113 1HB LYS 18 1HB LYS 18 3.602 6.604 2.871
114 2HB LYS 18 2HB LYS 18 1.970 6.106 3.053
115 1HG LYS 18 1HG LYS 18 1.092 8.417 2.519
116 2HG LYS 18 2HG LYS 18 2.742 8.968 2.274
117 1HD LYS 18 1HD LYS 18 1.877 8.548 0.106
118 2HD LYS 18 2HD LYS 18 3.052 7.276 0.415
119 1HE LYS 18 1HE LYS 18 1.142 5.661 0.950
120 2HE LYS 18 2HE LYS 18 -0.027 6.960 0.677
121 1HZ LYS 18 1HZ LYS 18 1.883 5.925 -1.346
122 2HZ LYS 18 2HZ LYS 18 0.805 7.126 -1.605
123 H CYS 19 H CYS 19 2.524 4.885 4.644
124 HA CYS 19 HA CYS 19 4.198 4.543 7.169
125 1HB CYS 19 1HB CYS 19 2.425 2.490 5.726
126 2HB CYS 19 2HB CYS 19 3.252 2.279 7.290
127 H CYS 20 H CYS 20 6.068 3.814 7.214
128 HA CYS 20 HA CYS 20 7.903 4.593 5.556
129 1HB CYS 20 1HB CYS 20 8.187 3.721 7.967
130 2HB CYS 20 2HB CYS 20 8.629 2.142 7.327
131 H ARG 21 H ARG 21 7.172 1.122 5.656
132 HA ARG 21 HA ARG 21 9.394 0.416 3.683
133 1HB ARG 21 1HB ARG 21 7.468 -1.412 5.289
134 2HB ARG 21 2HB ARG 21 8.821 -2.002 4.359
135 1HG ARG 21 1HG ARG 21 10.470 -1.152 5.857
136 2HG ARG 21 2HG ARG 21 9.368 -0.079 6.691
137 1HD ARG 21 1HD ARG 21 9.140 -3.160 6.774
138 2HD ARG 21 2HD ARG 21 9.973 -2.179 7.980
139 1HH1 ARG 21 2HH2 ARG 21 7.836 -4.391 7.783
140 2HH1 ARG 21 1HH2 ARG 21 6.220 -4.558 8.635
141 1HH2 ARG 21 1HH1 ARG 21 5.874 -1.162 9.106
142 2HH2 ARG 21 2HH1 ARG 21 5.182 -2.846 9.336
143 H GLY 22 H GLY 22 7.178 1.665 2.928
144 1HA GLY 22 1HA GLY 22 5.798 1.926 0.806
145 2HA GLY 22 2HA GLY 22 6.335 0.339 0.307
146 H ARG 23 H ARG 23 4.675 1.671 3.016
147 HA ARG 23 HA ARG 23 2.693 -0.651 3.121
148 1HB ARG 23 1HB ARG 23 3.826 1.134 5.278
149 2HB ARG 23 2HB ARG 23 2.470 0.035 5.565
150 1HG ARG 23 1HG ARG 23 5.420 -0.404 5.097
151 2HG ARG 23 2HG ARG 23 4.470 -0.809 6.501
152 1HD ARG 23 1HD ARG 23 4.369 -2.293 3.775
153 2HD ARG 23 2HD ARG 23 5.262 -2.818 5.204
154 1HH1 ARG 23 2HH2 ARG 23 4.527 -4.834 4.458
155 2HH1 ARG 23 1HH2 ARG 23 3.289 -6.122 4.874
156 1HH2 ARG 23 1HH1 ARG 23 1.083 -3.861 6.252
157 2HH2 ARG 23 2HH1 ARG 23 1.465 -5.604 5.824
158 HA PRO 24 HA PRO 24 -0.514 2.645 2.320
159 1HB PRO 24 1HB PRO 24 -2.723 1.023 2.252
160 2HB PRO 24 2HB PRO 24 -1.468 0.909 1.015
161 1HG PRO 24 1HG PRO 24 -1.794 -0.865 3.496
162 2HG PRO 24 2HG PRO 24 -1.607 -1.387 1.802
163 1HD PRO 24 1HD PRO 24 0.533 -1.211 3.567
164 2HD PRO 24 2HD PRO 24 0.739 -0.917 1.813
165 H CYS 25 H CYS 25 -2.830 2.868 3.394
166 HA CYS 25 HA CYS 25 -2.566 2.712 6.446
167 1HB CYS 25 1HB CYS 25 -2.500 5.197 4.788
168 2HB CYS 25 2HB CYS 25 -3.779 5.228 6.049
169 H ARG 26 H ARG 26 -4.364 2.192 7.466
170 HA ARG 26 HA ARG 26 -7.054 2.104 5.997
171 1HB ARG 26 1HB ARG 26 -7.793 0.226 7.140
172 2HB ARG 26 2HB ARG 26 -6.184 -0.213 6.690
173 1HG ARG 26 1HG ARG 26 -6.215 -1.069 8.827
174 2HG ARG 26 2HG ARG 26 -5.524 0.494 9.197
175 1HD ARG 26 1HD ARG 26 -7.987 1.277 9.748
176 2HD ARG 26 2HD ARG 26 -8.489 -0.388 9.493
177 1HH1 ARG 26 2HH2 ARG 26 -9.553 1.017 11.287
178 2HH1 ARG 26 1HH2 ARG 26 -9.691 0.906 13.113
179 1HH2 ARG 26 1HH1 ARG 26 -6.623 -0.619 13.474
180 2HH2 ARG 26 2HH1 ARG 26 -8.141 0.039 14.267
181 H CYS 27 H CYS 27 -8.230 3.773 6.789
182 HA CYS 27 HA CYS 27 -6.997 5.406 8.820
183 1HB CYS 27 1HB CYS 27 -9.762 5.808 7.525
184 2HB CYS 27 2HB CYS 27 -8.903 7.026 8.413
185 H SER 28 H SER 28 -8.301 6.487 10.533
186 HA SER 28 HA SER 28 -9.534 4.804 12.652
187 1HB SER 28 1HB SER 28 -9.313 7.864 12.102
188 2HB SER 28 2HB SER 28 -10.008 7.242 13.577
189 HG SER 28 HG SER 28 -7.831 7.632 13.805
190 H MET 29 H MET 29 -11.581 5.877 13.607
191 HA MET 29 HA MET 29 -13.783 4.504 12.181
192 1HB MET 29 1HB MET 29 -13.664 6.279 14.733
193 2HB MET 29 2HB MET 29 -15.159 5.601 14.152
194 1HG MET 29 1HG MET 29 -14.229 3.247 14.375
195 2HG MET 29 2HG MET 29 -12.708 3.927 14.975
196 1HE MET 29 3HE MET 29 -16.242 2.703 15.899
197 2HE MET 29 2HE MET 29 -16.727 3.713 17.293
198 3HE MET 29 1HE MET 29 -16.700 4.417 15.650
199 H ILE 30 H ILE 30 -12.954 7.871 12.493
200 HA ILE 30 HA ILE 30 -15.572 8.910 11.306
201 HB ILE 30 HB ILE 30 -14.292 11.209 11.236
202 1HG1 ILE 30 1HG1 ILE 30 -12.232 9.830 13.087
203 2HG1 ILE 30 2HG1 ILE 30 -11.917 10.156 11.399
204 1HG2 ILE 30 2HG2 ILE 30 -15.946 10.492 13.047
205 2HG2 ILE 30 3HG2 ILE 30 -14.614 9.782 13.992
206 3HG2 ILE 30 1HG2 ILE 30 -14.682 11.536 13.704
207 1HD1 ILE 30 3HD1 ILE 30 -12.248 12.631 11.758
208 2HD1 ILE 30 1HD1 ILE 30 -12.486 12.327 13.500
209 3HD1 ILE 30 2HD1 ILE 30 -10.929 11.943 12.733
210 H GLY 31 H GLY 31 -12.183 8.758 10.192
211 1HA GLY 31 1HA GLY 31 -12.227 7.779 7.594
212 2HA GLY 31 2HA GLY 31 -13.079 9.290 7.309
213 H THR 32 H THR 32 -11.734 10.980 8.947
214 HA THR 32 HA THR 32 -8.983 11.311 7.608
215 HB THR 32 HB THR 32 -8.985 13.616 8.655
216 HG1 THR 32 HG1 THR 32 -11.696 12.947 9.232
217 1HG2 THR 32 1HG2 THR 32 -9.803 13.339 6.271
218 2HG2 THR 32 2HG2 THR 32 -11.470 13.103 6.858
219 3HG2 THR 32 3HG2 THR 32 -10.651 14.663 7.100
220 H ASN 33 H ASN 33 -7.221 11.863 8.993
221 HA ASN 33 HA ASN 33 -5.662 11.520 10.761
222 1HB ASN 33 1HB ASN 33 -8.180 11.150 12.583
223 2HB ASN 33 2HB ASN 33 -6.571 10.954 13.148
224 1HD2 ASN 33 1HD2 ASN 33 -7.996 14.751 12.786
225 2HD2 ASN 33 2HD2 ASN 33 -8.981 13.269 12.338
226 H CYS 34 H CYS 34 -5.705 9.773 9.060
227 HA CYS 34 HA CYS 34 -6.783 7.151 9.580
228 1HB CYS 34 1HB CYS 34 -4.426 7.936 7.784
229 2HB CYS 34 2HB CYS 34 -5.261 6.406 7.674
230 H GLU 35 H GLU 35 -5.339 5.164 9.445
231 HA GLU 35 HA GLU 35 -2.893 5.316 11.290
232 1HB GLU 35 1HB GLU 35 -4.530 2.745 11.309
233 2HB GLU 35 2HB GLU 35 -3.354 3.203 12.404
234 1HG GLU 35 1HG GLU 35 -4.655 4.915 13.543
235 2HG GLU 35 2HG GLU 35 -5.992 4.754 12.413
236 HE2 GLU 35 HE2 GLU 35 -7.528 2.436 14.352
237 H CYS 36 H CYS 36 -1.721 3.213 11.066
238 HA CYS 36 HA CYS 36 -0.918 2.987 8.088
239 1HB CYS 36 1HB CYS 36 0.641 2.127 10.655
240 2HB CYS 36 2HB CYS 36 1.230 1.646 9.166
241 H THR 37 H THR 37 -0.333 0.921 7.181
242 HA THR 37 HA THR 37 -0.609 -1.419 6.578
243 HB THR 37 HB THR 37 0.129 -1.174 9.232
244 HG1 THR 37 HG1 THR 37 1.004 -2.443 7.694
245 1HG2 THR 37 3HG2 THR 37 -2.253 -1.859 10.088
246 2HG2 THR 37 1HG2 THR 37 -2.101 -3.374 9.202
247 3HG2 THR 37 2HG2 THR 37 -0.998 -3.014 10.537
248 HA PRO 38 HA PRO 38 -4.864 -2.310 5.588
249 1HB PRO 38 1HB PRO 38 -4.956 -5.085 5.462
250 2HB PRO 38 2HB PRO 38 -3.910 -4.114 4.420
251 1HG PRO 38 1HG PRO 38 -3.105 -5.437 7.061
252 2HG PRO 38 2HG PRO 38 -2.332 -5.694 5.499
253 1HD PRO 38 1HD PRO 38 -1.370 -3.848 7.229
254 2HD PRO 38 2HD PRO 38 -1.307 -3.383 5.576
255 H ARG 39 H ARG 39 -6.917 -3.390 6.197
256 HA ARG 39 HA ARG 39 -7.246 -3.651 9.236
257 1HB ARG 39 1HB ARG 39 -8.865 -2.173 7.999
258 2HB ARG 39 2HB ARG 39 -9.354 -3.513 6.985
259 1HG ARG 39 1HG ARG 39 -11.042 -3.135 8.635
260 2HG ARG 39 2HG ARG 39 -10.351 -4.702 8.959
261 1HD ARG 39 1HD ARG 39 -9.660 -2.124 10.538
262 2HD ARG 39 2HD ARG 39 -10.930 -3.262 10.983
263 1HH1 ARG 39 2HH2 ARG 39 -10.118 -2.544 12.952
264 2HH1 ARG 39 1HH2 ARG 39 -9.130 -3.176 14.363
265 1HH2 ARG 39 1HH1 ARG 39 -7.303 -5.338 12.401
266 2HH2 ARG 39 2HH1 ARG 39 -7.642 -4.653 14.069
267 H LEU 40 H LEU 40 -5.999 -5.516 9.250
268 HA LEU 40 HA LEU 40 -7.326 -8.136 8.971
269 1HB LEU 40 1HB LEU 40 -6.755 -7.765 6.528
270 2HB LEU 40 2HB LEU 40 -5.088 -7.443 6.944
271 HG LEU 40 HG LEU 40 -4.850 -9.843 7.764
272 1HD1 LEU 40 2HD1 LEU 40 -7.680 -10.247 6.581
273 2HD1 LEU 40 3HD1 LEU 40 -6.577 -11.544 7.108
274 3HD1 LEU 40 1HD1 LEU 40 -7.228 -10.405 8.297
275 1HD2 LEU 40 2HD2 LEU 40 -4.124 -9.182 5.476
276 2HD2 LEU 40 3HD2 LEU 40 -4.739 -10.845 5.491
277 3HD2 LEU 40 1HD2 LEU 40 -5.748 -9.532 4.831
278 H ILE 41 H ILE 41 -6.534 -8.957 10.814
279 HA ILE 41 HA ILE 41 -3.615 -8.454 11.685
280 HB ILE 41 HB ILE 41 -4.364 -9.514 13.925
281 1HG1 ILE 41 1HG1 ILE 41 -6.495 -10.655 13.113
282 2HG1 ILE 41 2HG1 ILE 41 -6.556 -9.774 14.608
283 1HG2 ILE 41 3HG2 ILE 41 -5.737 -6.877 12.974
284 2HG2 ILE 41 1HG2 ILE 41 -5.437 -7.332 14.668
285 3HG2 ILE 41 2HG2 ILE 41 -4.074 -7.034 13.577
286 1HD1 ILE 41 1HD1 ILE 41 -7.866 -7.906 13.501
287 2HD1 ILE 41 2HD1 ILE 41 -7.885 -8.847 11.986
288 3HD1 ILE 41 3HD1 ILE 41 -8.662 -9.489 13.440
289 H MET 42 H MET 42 -3.215 -9.745 9.784
290 HA MET 42 HA MET 42 -2.189 -12.379 10.570
291 1HB MET 42 1HB MET 42 -4.582 -13.070 9.945
292 2HB MET 42 2HB MET 42 -4.336 -12.457 8.321
293 1HG MET 42 1HG MET 42 -2.478 -14.172 7.989
294 2HG MET 42 2HG MET 42 -2.737 -14.751 9.651
295 1HE MET 42 1HE MET 42 -3.183 -17.234 8.727
296 2HE MET 42 3HE MET 42 -4.378 -17.609 7.450
297 3HE MET 42 2HE MET 42 -2.920 -16.654 7.052
298 H GLU 43 H GLU 43 -0.315 -11.312 10.028
299 HA GLU 43 HA GLU 43 0.114 -10.282 7.158
300 1HB GLU 43 1HB GLU 43 0.745 -8.830 9.816
301 2HB GLU 43 2HB GLU 43 1.285 -8.289 8.236
302 1HG GLU 43 1HG GLU 43 -1.087 -7.981 7.461
303 2HG GLU 43 2HG GLU 43 -1.684 -8.538 9.019
304 HE1 GLU 43 HE2 GLU 43 0.063 -4.892 8.660
305 H GLY 44 H GLY 44 2.095 -10.425 6.374
306 1HA GLY 44 1HA GLY 44 4.030 -12.397 7.522
307 2HA GLY 44 2HA GLY 44 4.171 -11.600 5.971
308 H LEU 45 H LEU 45 4.906 -9.318 5.977
309 HA LEU 45 HA LEU 45 7.142 -8.819 7.964
310 1HB LEU 45 1HB LEU 45 6.212 -7.266 5.455
311 2HB LEU 45 2HB LEU 45 7.429 -6.662 6.540
312 HG LEU 45 HG LEU 45 8.471 -7.557 4.613
313 1HD1 LEU 45 2HD1 LEU 45 9.732 -7.769 6.767
314 2HD1 LEU 45 3HD1 LEU 45 9.153 -9.444 6.950
315 3HD1 LEU 45 1HD1 LEU 45 10.206 -9.006 5.585
316 1HD2 LEU 45 3HD2 LEU 45 6.794 -9.282 3.898
317 2HD2 LEU 45 1HD2 LEU 45 8.465 -9.880 3.851
318 3HD2 LEU 45 2HD2 LEU 45 7.385 -10.380 5.171
319 H SER 46 H SER 46 6.386 -8.177 9.859
320 HA SER 46 HA SER 46 4.419 -5.859 10.129
321 1HB SER 46 1HB SER 46 2.922 -7.263 11.593
322 2HB SER 46 2HB SER 46 2.976 -7.839 9.934
323 HG SER 46 HG SER 46 3.137 -9.506 11.446
324 H PHE 47 H PHE 47 5.311 -4.560 11.486
325 HA PHE 47 HA PHE 47 5.767 -5.418 14.289
326 1HB PHE 47 1HB PHE 47 7.979 -4.442 14.665
327 2HB PHE 47 2HB PHE 47 8.089 -5.742 13.535
328 HD1 PHE 47 HD1 PHE 47 8.435 -2.054 13.945
329 HD2 PHE 47 HD2 PHE 47 8.868 -5.337 11.194
330 HE1 PHE 47 HE1 PHE 47 9.781 -0.637 12.452
331 HE2 PHE 47 HE2 PHE 47 10.235 -3.913 9.729
332 HZ PHE 47 HZ PHE 47 10.687 -1.560 10.347
333 H ALA 48 H ALA 48 5.160 -3.843 15.631
334 HA ALA 48 HA ALA 48 4.251 -1.125 14.554
335 1HB ALA 48 3HB ALA 48 3.772 -2.466 17.303
336 2HB ALA 48 1HB ALA 48 3.094 -0.914 16.752
337 3HB ALA 48 2HB ALA 48 2.621 -2.418 15.942
338 HXT ALA 48 HO ALA 48 7.298 0.195 15.458
No H/Q in entry = 338
Start of MODEL 16
Raw file had 348 H/Q atoms
Start of MODEL 16
1 1H GLU 1 1H GLU 1 17.628 10.465 4.777
2 2H GLU 1 2H GLU 1 16.647 10.071 3.507
3 3H GLU 1 3H GLU 1 17.423 11.529 3.530
4 HA GLU 1 HA GLU 1 16.154 12.268 5.466
5 1HB GLU 1 1HB GLU 1 14.497 11.236 3.057
6 2HB GLU 1 2HB GLU 1 13.798 12.225 4.317
7 1HG GLU 1 1HG GLU 1 16.140 13.139 2.529
8 2HG GLU 1 2HG GLU 1 14.448 13.488 2.232
9 HE1 GLU 1 HE2 GLU 1 14.088 15.882 4.722
10 H ASP 2 H ASP 2 15.747 11.342 7.321
11 HA ASP 2 HA ASP 2 14.193 8.688 7.536
12 1HB ASP 2 1HB ASP 2 14.999 8.530 9.834
13 2HB ASP 2 2HB ASP 2 16.317 8.585 8.701
14 HD2 ASP 2 HD2 ASP 2 14.945 9.847 11.366
15 H ASN 3 H ASN 3 12.080 9.077 7.644
16 HA ASN 3 HA ASN 3 10.728 10.278 9.727
17 1HB ASN 3 1HB ASN 3 9.519 12.135 8.799
18 2HB ASN 3 2HB ASN 3 11.160 12.567 9.192
19 1HD2 ASN 3 1HD2 ASN 3 9.941 13.714 5.576
20 2HD2 ASN 3 2HD2 ASN 3 8.861 13.209 6.970
21 H CYS 4 H CYS 4 10.015 8.478 9.256
22 HA CYS 4 HA CYS 4 7.747 8.021 7.171
23 1HB CYS 4 1HB CYS 4 8.368 5.862 6.967
24 2HB CYS 4 2HB CYS 4 9.568 6.750 6.199
25 H ILE 5 H ILE 5 6.482 5.988 7.636
26 HA ILE 5 HA ILE 5 5.827 5.870 10.696
27 HB ILE 5 HB ILE 5 3.633 5.292 8.595
28 1HG1 ILE 5 1HG1 ILE 5 4.165 7.804 10.209
29 2HG1 ILE 5 2HG1 ILE 5 4.404 7.667 8.479
30 1HG2 ILE 5 2HG2 ILE 5 3.344 4.109 10.813
31 2HG2 ILE 5 3HG2 ILE 5 3.455 5.659 11.674
32 3HG2 ILE 5 1HG2 ILE 5 2.120 5.314 10.567
33 1HD1 ILE 5 2HD1 ILE 5 2.008 7.250 8.142
34 2HD1 ILE 5 3HD1 ILE 5 1.777 7.404 9.920
35 3HD1 ILE 5 1HD1 ILE 5 2.277 8.804 8.991
36 H ALA 6 H ALA 6 7.265 4.211 10.974
37 HA ALA 6 HA ALA 6 7.291 1.805 9.126
38 1HB ALA 6 2HB ALA 6 9.457 2.732 10.124
39 2HB ALA 6 3HB ALA 6 8.883 2.354 11.770
40 3HB ALA 6 1HB ALA 6 9.226 1.044 10.613
41 H GLU 7 H GLU 7 5.187 2.547 11.134
42 HA GLU 7 HA GLU 7 4.840 0.208 12.986
43 1HB GLU 7 1HB GLU 7 3.424 2.884 12.635
44 2HB GLU 7 2HB GLU 7 2.890 1.704 13.804
45 1HG GLU 7 1HG GLU 7 4.125 3.169 15.099
46 2HG GLU 7 2HG GLU 7 5.175 1.776 14.932
47 HE1 GLU 7 HE2 GLU 7 6.063 5.352 13.175
48 H ASP 8 H ASP 8 3.096 -0.817 13.506
49 HA ASP 8 HA ASP 8 1.077 -1.491 11.293
50 1HB ASP 8 1HB ASP 8 1.038 -3.110 13.824
51 2HB ASP 8 2HB ASP 8 0.630 -3.564 12.182
52 HD1 ASP 8 HD2 ASP 8 2.062 -4.108 10.755
53 H TYR 9 H TYR 9 -0.674 -0.636 11.666
54 HA TYR 9 HA TYR 9 -2.259 1.128 12.317
55 1HB TYR 9 1HB TYR 9 -1.967 -0.412 15.012
56 2HB TYR 9 2HB TYR 9 -3.166 0.814 14.722
57 HD1 TYR 9 HD2 TYR 9 -4.854 0.537 12.734
58 HD2 TYR 9 HD1 TYR 9 -2.449 -2.704 14.232
59 HE1 TYR 9 HE2 TYR 9 -6.393 -1.081 11.723
60 HE2 TYR 9 HE1 TYR 9 -4.013 -4.312 13.235
61 HH TYR 9 HH TYR 9 -6.860 -3.225 11.387
62 H GLY 10 H GLY 10 0.504 1.921 12.326
63 1HA GLY 10 1HA GLY 10 0.964 3.984 14.464
64 2HA GLY 10 2HA GLY 10 1.770 4.022 13.016
65 H LYS 11 H LYS 11 0.571 5.928 14.322
66 HA LYS 11 HA LYS 11 -1.935 6.803 12.906
67 1HB LYS 11 1HB LYS 11 -1.462 7.624 15.149
68 2HB LYS 11 2HB LYS 11 -0.167 8.687 14.524
69 1HG LYS 11 1HG LYS 11 -1.935 9.920 13.184
70 2HG LYS 11 2HG LYS 11 -3.173 8.841 13.827
71 1HD LYS 11 1HD LYS 11 -2.654 9.634 16.167
72 2HD LYS 11 2HD LYS 11 -1.402 10.704 15.558
73 1HE LYS 11 1HE LYS 11 -4.405 10.912 14.819
74 2HE LYS 11 2HE LYS 11 -3.621 11.831 16.099
75 1HZ LYS 11 1HZ LYS 11 -3.793 13.097 14.075
76 2HZ LYS 11 2HZ LYS 11 -2.944 11.992 13.219
77 H CYS 12 H CYS 12 -2.021 7.751 11.432
78 HA CYS 12 HA CYS 12 0.125 9.048 9.597
79 1HB CYS 12 1HB CYS 12 -0.311 7.467 7.725
80 2HB CYS 12 2HB CYS 12 0.075 6.520 9.149
81 H THR 13 H THR 13 -0.846 9.479 7.411
82 HA THR 13 HA THR 13 -3.738 10.518 7.488
83 HB THR 13 HB THR 13 -1.408 12.217 6.560
84 HG1 THR 13 HG1 THR 13 -2.810 12.384 9.049
85 1HG2 THR 13 3HG2 THR 13 -4.196 13.199 7.305
86 2HG2 THR 13 1HG2 THR 13 -2.775 14.237 6.976
87 3HG2 THR 13 2HG2 THR 13 -3.397 13.228 5.690
88 H TRP 14 H TRP 14 -4.211 11.353 5.586
89 HA TRP 14 HA TRP 14 -3.315 9.878 2.991
90 1HB TRP 14 1HB TRP 14 -6.106 11.069 3.573
91 2HB TRP 14 2HB TRP 14 -5.569 10.573 1.984
92 HD1 TRP 14 HD1 TRP 14 -4.186 7.698 2.592
93 HE1 TRP 14 HE1 TRP 14 -5.653 5.591 3.165
94 HE3 TRP 14 HE3 TRP 14 -8.303 10.273 4.202
95 HZ2 TRP 14 HZ2 TRP 14 -8.310 5.266 4.162
96 HZ3 TRP 14 HZ3 TRP 14 -10.288 8.998 4.933
97 HH2 TRP 14 HH2 TRP 14 -10.291 6.537 4.917
98 H GLY 15 H GLY 15 -1.642 11.308 2.706
99 1HA GLY 15 1HA GLY 15 -1.216 13.461 1.204
100 2HA GLY 15 2HA GLY 15 -2.233 14.315 2.349
101 H GLY 16 H GLY 16 -1.246 12.864 4.668
102 1HA GLY 16 1HA GLY 16 1.189 14.340 5.568
103 2HA GLY 16 2HA GLY 16 0.372 13.150 6.397
104 H THR 17 H THR 17 2.246 12.379 6.967
105 HA THR 17 HA THR 17 4.077 10.808 5.167
106 HB THR 17 HB THR 17 3.810 9.841 8.088
107 HG1 THR 17 HG1 THR 17 5.240 11.546 8.643
108 1HG2 THR 17 2HG2 THR 17 5.491 8.731 6.594
109 2HG2 THR 17 3HG2 THR 17 6.291 10.276 6.281
110 3HG2 THR 17 1HG2 THR 17 6.255 9.586 7.921
111 H LYS 18 H LYS 18 4.017 8.782 4.702
112 HA LYS 18 HA LYS 18 1.634 6.888 5.279
113 1HB LYS 18 1HB LYS 18 3.376 6.505 2.847
114 2HB LYS 18 2HB LYS 18 1.847 5.829 3.212
115 1HG LYS 18 1HG LYS 18 2.259 8.724 2.305
116 2HG LYS 18 2HG LYS 18 1.642 7.403 1.339
117 1HD LYS 18 1HD LYS 18 0.264 8.628 3.801
118 2HD LYS 18 2HD LYS 18 -0.151 8.982 2.143
119 1HE LYS 18 1HE LYS 18 -0.467 6.200 3.467
120 2HE LYS 18 2HE LYS 18 -1.748 7.394 3.306
121 1HZ LYS 18 1HZ LYS 18 -0.330 6.086 1.058
122 2HZ LYS 18 2HZ LYS 18 -1.840 5.740 1.578
123 H CYS 19 H CYS 19 2.581 4.734 4.696
124 HA CYS 19 HA CYS 19 4.374 4.336 7.092
125 1HB CYS 19 1HB CYS 19 2.646 2.427 5.481
126 2HB CYS 19 2HB CYS 19 3.927 1.727 6.533
127 H CYS 20 H CYS 20 6.203 3.409 7.160
128 HA CYS 20 HA CYS 20 8.083 4.551 5.738
129 1HB CYS 20 1HB CYS 20 8.250 3.354 7.996
130 2HB CYS 20 2HB CYS 20 8.765 1.882 7.186
131 H ARG 21 H ARG 21 7.420 1.103 5.253
132 HA ARG 21 HA ARG 21 9.669 0.812 3.203
133 1HB ARG 21 1HB ARG 21 9.152 -0.797 5.323
134 2HB ARG 21 2HB ARG 21 7.864 -1.459 4.330
135 1HG ARG 21 1HG ARG 21 9.664 -2.080 2.587
136 2HG ARG 21 2HG ARG 21 10.892 -1.444 3.665
137 1HD ARG 21 1HD ARG 21 8.959 -3.775 4.329
138 2HD ARG 21 2HD ARG 21 10.612 -3.970 3.740
139 1HH1 ARG 21 2HH2 ARG 21 9.512 -5.509 5.665
140 2HH1 ARG 21 1HH2 ARG 21 9.958 -5.874 7.407
141 1HH2 ARG 21 1HH1 ARG 21 11.412 -2.785 7.903
142 2HH2 ARG 21 2HH1 ARG 21 10.965 -4.426 8.594
143 H GLY 22 H GLY 22 7.351 2.059 2.665
144 1HA GLY 22 1HA GLY 22 6.006 2.589 0.571
145 2HA GLY 22 2HA GLY 22 6.638 1.139 -0.166
146 H ARG 23 H ARG 23 4.796 2.048 2.565
147 HA ARG 23 HA ARG 23 2.865 -0.309 2.282
148 1HB ARG 23 1HB ARG 23 4.076 1.201 4.575
149 2HB ARG 23 2HB ARG 23 2.698 0.111 4.883
150 1HG ARG 23 1HG ARG 23 4.273 -1.744 4.203
151 2HG ARG 23 2HG ARG 23 5.517 -0.491 3.908
152 1HD ARG 23 1HD ARG 23 6.063 -1.506 5.974
153 2HD ARG 23 2HD ARG 23 5.527 0.135 6.310
154 1HH1 ARG 23 2HH2 ARG 23 6.223 -1.219 8.301
155 2HH1 ARG 23 1HH2 ARG 23 5.410 -1.882 9.806
156 1HH2 ARG 23 1HH1 ARG 23 2.366 -2.281 8.244
157 2HH2 ARG 23 2HH1 ARG 23 3.369 -2.443 9.772
158 HA PRO 24 HA PRO 24 -0.340 3.044 2.134
159 1HB PRO 24 1HB PRO 24 -2.609 1.472 1.858
160 2HB PRO 24 2HB PRO 24 -1.396 1.620 0.579
161 1HG PRO 24 1HG PRO 24 -1.671 -0.628 2.637
162 2HG PRO 24 2HG PRO 24 -1.479 -0.781 0.875
163 1HD PRO 24 1HD PRO 24 0.659 -0.974 2.647
164 2HD PRO 24 2HD PRO 24 0.865 -0.325 0.991
165 H CYS 25 H CYS 25 -2.379 3.577 3.183
166 HA CYS 25 HA CYS 25 -2.598 2.703 6.112
167 1HB CYS 25 1HB CYS 25 -1.891 5.405 5.136
168 2HB CYS 25 2HB CYS 25 -3.399 5.426 6.109
169 H ARG 26 H ARG 26 -4.620 2.783 6.919
170 HA ARG 26 HA ARG 26 -7.001 3.526 5.239
171 1HB ARG 26 1HB ARG 26 -6.661 0.686 6.430
172 2HB ARG 26 2HB ARG 26 -8.230 1.448 6.362
173 1HG ARG 26 1HG ARG 26 -8.323 0.284 4.416
174 2HG ARG 26 2HG ARG 26 -7.868 1.872 3.830
175 1HD ARG 26 1HD ARG 26 -5.398 1.007 3.760
176 2HD ARG 26 2HD ARG 26 -6.030 -0.583 4.220
177 1HH1 ARG 26 2HH2 ARG 26 -4.338 -0.986 2.756
178 2HH1 ARG 26 1HH2 ARG 26 -4.115 -1.617 1.047
179 1HH2 ARG 26 1HH1 ARG 26 -7.114 -0.337 -0.056
180 2HH2 ARG 26 2HH1 ARG 26 -5.582 -1.273 -0.435
181 H CYS 27 H CYS 27 -8.394 4.627 6.567
182 HA CYS 27 HA CYS 27 -7.139 5.497 8.924
183 1HB CYS 27 1HB CYS 27 -9.862 6.162 7.718
184 2HB CYS 27 2HB CYS 27 -9.602 6.803 9.295
185 H SER 28 H SER 28 -8.326 5.995 10.906
186 HA SER 28 HA SER 28 -9.048 3.666 12.631
187 1HB SER 28 1HB SER 28 -7.690 5.959 13.111
188 2HB SER 28 2HB SER 28 -9.289 6.682 13.280
189 HG SER 28 HG SER 28 -8.275 4.417 14.657
190 H MET 29 H MET 29 -10.747 4.770 14.211
191 HA MET 29 HA MET 29 -13.334 3.559 13.382
192 1HB MET 29 1HB MET 29 -14.075 4.202 15.618
193 2HB MET 29 2HB MET 29 -12.423 3.604 15.688
194 1HG MET 29 1HG MET 29 -11.635 6.041 15.937
195 2HG MET 29 2HG MET 29 -13.342 6.475 16.149
196 1HE MET 29 1HE MET 29 -14.554 6.381 18.414
197 2HE MET 29 3HE MET 29 -14.899 4.682 17.962
198 3HE MET 29 2HE MET 29 -14.306 5.069 19.604
199 H ILE 30 H ILE 30 -12.346 6.763 13.714
200 HA ILE 30 HA ILE 30 -15.009 8.125 13.313
201 HB ILE 30 HB ILE 30 -12.187 9.425 12.994
202 1HG1 ILE 30 1HG1 ILE 30 -14.025 9.442 15.497
203 2HG1 ILE 30 2HG1 ILE 30 -12.618 8.412 15.317
204 1HG2 ILE 30 1HG2 ILE 30 -14.073 10.803 11.961
205 2HG2 ILE 30 2HG2 ILE 30 -14.982 10.725 13.488
206 3HG2 ILE 30 3HG2 ILE 30 -13.437 11.606 13.388
207 1HD1 ILE 30 1HD1 ILE 30 -11.089 10.395 15.120
208 2HD1 ILE 30 2HD1 ILE 30 -12.476 11.468 15.450
209 3HD1 ILE 30 3HD1 ILE 30 -11.953 10.291 16.672
210 H GLY 31 H GLY 31 -12.151 7.807 11.257
211 1HA GLY 31 1HA GLY 31 -12.747 7.236 8.668
212 2HA GLY 31 2HA GLY 31 -13.788 8.646 8.749
213 H THR 32 H THR 32 -11.947 10.196 10.369
214 HA THR 32 HA THR 32 -9.656 10.789 8.398
215 HB THR 32 HB THR 32 -9.596 13.130 9.304
216 HG1 THR 32 HG1 THR 32 -12.136 12.404 10.383
217 1HG2 THR 32 2HG2 THR 32 -10.814 12.684 7.121
218 2HG2 THR 32 3HG2 THR 32 -12.338 12.432 8.012
219 3HG2 THR 32 1HG2 THR 32 -11.554 14.029 8.017
220 H ASN 33 H ASN 33 -7.719 11.424 9.412
221 HA ASN 33 HA ASN 33 -5.895 11.362 10.940
222 1HB ASN 33 1HB ASN 33 -7.964 10.694 13.186
223 2HB ASN 33 2HB ASN 33 -6.264 10.744 13.406
224 1HD2 ASN 33 1HD2 ASN 33 -8.258 14.271 13.510
225 2HD2 ASN 33 2HD2 ASN 33 -9.080 12.642 13.319
226 H CYS 34 H CYS 34 -5.771 9.672 9.354
227 HA CYS 34 HA CYS 34 -6.734 7.063 9.770
228 1HB CYS 34 1HB CYS 34 -4.412 7.998 8.041
229 2HB CYS 34 2HB CYS 34 -4.846 6.302 7.995
230 H GLU 35 H GLU 35 -5.361 5.025 9.676
231 HA GLU 35 HA GLU 35 -2.803 5.167 11.373
232 1HB GLU 35 1HB GLU 35 -4.350 2.614 11.823
233 2HB GLU 35 2HB GLU 35 -3.210 3.426 12.810
234 1HG GLU 35 1HG GLU 35 -4.833 5.129 13.593
235 2HG GLU 35 2HG GLU 35 -6.089 4.421 12.576
236 HE1 GLU 35 HE2 GLU 35 -4.888 2.587 15.985
237 H CYS 36 H CYS 36 -1.712 2.975 11.246
238 HA CYS 36 HA CYS 36 -1.037 2.668 8.303
239 1HB CYS 36 1HB CYS 36 0.907 2.771 10.257
240 2HB CYS 36 2HB CYS 36 0.436 1.133 10.585
241 H THR 37 H THR 37 -1.004 0.695 7.151
242 HA THR 37 HA THR 37 -2.829 -1.532 8.122
243 HB THR 37 HB THR 37 -2.404 -2.602 5.913
244 HG1 THR 37 HG1 THR 37 -0.994 -0.181 5.391
245 1HG2 THR 37 2HG2 THR 37 -4.341 -0.995 6.174
246 2HG2 THR 37 3HG2 THR 37 -3.296 0.367 5.697
247 3HG2 THR 37 1HG2 THR 37 -3.661 -0.924 4.531
248 HA PRO 38 HA PRO 38 0.954 -3.788 9.753
249 1HB PRO 38 1HB PRO 38 -1.066 -6.111 9.679
250 2HB PRO 38 2HB PRO 38 0.033 -5.646 10.983
251 1HG PRO 38 1HG PRO 38 -2.644 -5.056 11.079
252 2HG PRO 38 2HG PRO 38 -1.459 -3.908 11.725
253 1HD PRO 38 1HD PRO 38 -2.959 -3.750 9.099
254 2HD PRO 38 2HD PRO 38 -2.450 -2.447 10.190
255 H ARG 39 H ARG 39 -1.068 -5.700 7.559
256 HA ARG 39 HA ARG 39 -0.686 -7.061 5.670
257 1HB ARG 39 1HB ARG 39 0.485 -5.938 3.826
258 2HB ARG 39 2HB ARG 39 -0.569 -4.827 4.643
259 1HG ARG 39 1HG ARG 39 1.258 -3.550 5.568
260 2HG ARG 39 2HG ARG 39 2.469 -4.754 5.175
261 1HD ARG 39 1HD ARG 39 0.791 -3.329 3.002
262 2HD ARG 39 2HD ARG 39 2.266 -2.630 3.666
263 1HH1 ARG 39 2HH2 ARG 39 1.968 -2.273 1.294
264 2HH1 ARG 39 1HH2 ARG 39 2.884 -2.734 -0.227
265 1HH2 ARG 39 1HH1 ARG 39 3.962 -5.739 1.063
266 2HH2 ARG 39 2HH1 ARG 39 3.938 -4.565 -0.347
267 H LEU 40 H LEU 40 0.300 -8.736 5.035
268 HA LEU 40 HA LEU 40 1.851 -10.416 4.472
269 1HB LEU 40 1HB LEU 40 3.020 -8.234 3.526
270 2HB LEU 40 2HB LEU 40 4.142 -8.344 4.858
271 HG LEU 40 HG LEU 40 3.651 -10.558 2.759
272 1HD1 LEU 40 3HD1 LEU 40 4.554 -8.487 1.691
273 2HD1 LEU 40 1HD1 LEU 40 5.908 -8.450 2.847
274 3HD1 LEU 40 2HD1 LEU 40 5.765 -9.781 1.671
275 1HD2 LEU 40 3HD2 LEU 40 5.938 -10.305 4.830
276 2HD2 LEU 40 1HD2 LEU 40 4.686 -11.571 4.778
277 3HD2 LEU 40 2HD2 LEU 40 5.895 -11.485 3.495
278 H ILE 41 H ILE 41 1.770 -11.846 6.016
279 HA ILE 41 HA ILE 41 3.651 -11.663 8.440
280 HB ILE 41 HB ILE 41 1.185 -11.978 9.040
281 1HG1 ILE 41 1HG1 ILE 41 1.485 -14.064 10.482
282 2HG1 ILE 41 2HG1 ILE 41 2.985 -14.438 9.657
283 1HG2 ILE 41 1HG2 ILE 41 0.464 -13.379 7.009
284 2HG2 ILE 41 2HG2 ILE 41 1.394 -14.758 7.642
285 3HG2 ILE 41 3HG2 ILE 41 0.008 -14.120 8.549
286 1HD1 ILE 41 1HD1 ILE 41 2.449 -11.883 11.333
287 2HD1 ILE 41 2HD1 ILE 41 3.336 -13.325 11.882
288 3HD1 ILE 41 3HD1 ILE 41 4.015 -12.314 10.591
289 H MET 42 H MET 42 5.301 -13.031 8.505
290 HA MET 42 HA MET 42 5.891 -14.840 6.138
291 1HB MET 42 1HB MET 42 7.634 -13.257 7.146
292 2HB MET 42 2HB MET 42 7.634 -14.213 8.621
293 1HG MET 42 1HG MET 42 8.403 -16.240 7.239
294 2HG MET 42 2HG MET 42 8.429 -15.202 5.798
295 1HE MET 42 3HE MET 42 10.969 -16.813 6.716
296 2HE MET 42 2HE MET 42 11.053 -15.652 5.355
297 3HE MET 42 1HE MET 42 12.270 -15.587 6.664
298 H GLU 43 H GLU 43 4.860 -16.695 6.237
299 HA GLU 43 HA GLU 43 5.023 -18.448 8.763
300 1HB GLU 43 1HB GLU 43 2.691 -17.864 8.151
301 2HB GLU 43 2HB GLU 43 2.887 -18.520 6.532
302 1HG GLU 43 1HG GLU 43 1.657 -20.126 7.825
303 2HG GLU 43 2HG GLU 43 3.237 -20.836 7.574
304 HE2 GLU 43 HE2 GLU 43 4.110 -20.876 10.931
305 H GLY 44 H GLY 44 6.054 -20.185 8.540
306 1HA GLY 44 1HA GLY 44 7.271 -22.086 7.506
307 2HA GLY 44 2HA GLY 44 6.957 -21.441 5.911
308 H LEU 45 H LEU 45 8.906 -21.059 8.818
309 HA LEU 45 HA LEU 45 10.911 -19.199 7.455
310 1HB LEU 45 1HB LEU 45 10.550 -20.128 10.385
311 2HB LEU 45 2HB LEU 45 11.987 -19.319 9.811
312 HG LEU 45 HG LEU 45 10.616 -17.327 9.070
313 1HD1 LEU 45 1HD1 LEU 45 8.309 -18.691 10.617
314 2HD1 LEU 45 2HD1 LEU 45 8.343 -16.975 10.140
315 3HD1 LEU 45 3HD1 LEU 45 8.309 -18.225 8.897
316 1HD2 LEU 45 1HD2 LEU 45 11.907 -17.349 11.207
317 2HD2 LEU 45 2HD2 LEU 45 10.424 -16.394 11.376
318 3HD2 LEU 45 3HD2 LEU 45 10.509 -18.031 12.074
319 H SER 46 H SER 46 11.322 -22.038 9.572
320 HA SER 46 HA SER 46 13.376 -23.269 7.631
321 1HB SER 46 1HB SER 46 12.685 -24.025 10.554
322 2HB SER 46 2HB SER 46 13.796 -24.918 9.511
323 HG SER 46 HG SER 46 15.006 -22.993 9.273
324 H PHE 47 H PHE 47 10.787 -24.584 9.706
325 HA PHE 47 HA PHE 47 9.141 -25.360 7.321
326 1HB PHE 47 1HB PHE 47 10.714 -27.365 7.623
327 2HB PHE 47 2HB PHE 47 10.104 -27.608 9.236
328 HD1 PHE 47 HD1 PHE 47 9.162 -27.633 5.591
329 HD2 PHE 47 HD2 PHE 47 7.942 -28.775 9.558
330 HE1 PHE 47 HE1 PHE 47 7.363 -29.025 4.650
331 HE2 PHE 47 HE2 PHE 47 6.149 -30.158 8.598
332 HZ PHE 47 HZ PHE 47 5.854 -30.286 6.147
333 H ALA 48 H ALA 48 7.431 -24.264 8.004
334 HA ALA 48 HA ALA 48 6.013 -25.042 10.580
335 1HB ALA 48 3HB ALA 48 6.740 -22.086 9.943
336 2HB ALA 48 1HB ALA 48 5.698 -22.647 11.273
337 3HB ALA 48 2HB ALA 48 7.420 -23.067 11.264
338 HXT ALA 48 HO ALA 48 3.250 -24.920 8.626
No H/Q in entry = 338
Start of MODEL 17
Raw file had 348 H/Q atoms
Start of MODEL 17
1 1H GLU 1 2H GLU 1 8.871 13.080 3.318
2 2H GLU 1 3H GLU 1 7.540 12.333 2.685
3 3H GLU 1 1H GLU 1 7.371 13.730 3.551
4 HA GLU 1 HA GLU 1 6.659 11.865 4.902
5 1HB GLU 1 1HB GLU 1 8.293 10.106 5.513
6 2HB GLU 1 2HB GLU 1 8.025 10.118 3.790
7 1HG GLU 1 1HG GLU 1 10.270 11.200 3.408
8 2HG GLU 1 2HG GLU 1 10.527 11.338 5.143
9 HE1 GLU 1 HE2 GLU 1 10.868 7.758 3.273
10 H ASP 2 H ASP 2 6.827 12.059 7.076
11 HA ASP 2 HA ASP 2 8.967 13.934 8.288
12 1HB ASP 2 1HB ASP 2 6.196 13.155 9.421
13 2HB ASP 2 2HB ASP 2 7.409 14.094 10.260
14 HD2 ASP 2 HD2 ASP 2 5.119 14.036 7.855
15 H ASN 3 H ASN 3 10.363 12.117 8.019
16 HA ASN 3 HA ASN 3 11.728 10.366 8.756
17 1HB ASN 3 1HB ASN 3 10.073 10.606 11.358
18 2HB ASN 3 2HB ASN 3 11.559 9.697 11.286
19 1HD2 ASN 3 1HD2 ASN 3 13.721 12.560 11.623
20 2HD2 ASN 3 2HD2 ASN 3 13.594 10.815 11.070
21 H CYS 4 H CYS 4 9.036 9.919 7.908
22 HA CYS 4 HA CYS 4 7.619 8.095 7.021
23 1HB CYS 4 1HB CYS 4 8.373 6.002 6.936
24 2HB CYS 4 2HB CYS 4 9.526 6.922 6.131
25 H ILE 5 H ILE 5 6.579 6.002 7.697
26 HA ILE 5 HA ILE 5 5.980 5.998 10.776
27 HB ILE 5 HB ILE 5 3.814 5.264 8.683
28 1HG1 ILE 5 1HG1 ILE 5 4.070 7.740 10.401
29 2HG1 ILE 5 2HG1 ILE 5 4.419 7.682 8.685
30 1HG2 ILE 5 2HG2 ILE 5 3.605 3.998 10.885
31 2HG2 ILE 5 3HG2 ILE 5 3.512 5.557 11.749
32 3HG2 ILE 5 1HG2 ILE 5 2.282 5.073 10.576
33 1HD1 ILE 5 2HD1 ILE 5 2.108 7.067 8.165
34 2HD1 ILE 5 3HD1 ILE 5 1.721 7.089 9.913
35 3HD1 ILE 5 1HD1 ILE 5 2.181 8.588 9.102
36 H ALA 6 H ALA 6 7.320 4.303 11.287
37 HA ALA 6 HA ALA 6 7.751 2.036 9.313
38 1HB ALA 6 2HB ALA 6 9.678 2.983 10.713
39 2HB ALA 6 3HB ALA 6 8.874 2.446 12.215
40 3HB ALA 6 1HB ALA 6 9.475 1.252 11.038
41 H GLU 7 H GLU 7 5.321 2.506 11.005
42 HA GLU 7 HA GLU 7 4.775 -0.194 12.327
43 1HB GLU 7 1HB GLU 7 3.467 2.572 12.629
44 2HB GLU 7 2HB GLU 7 2.997 1.177 13.568
45 1HG GLU 7 1HG GLU 7 5.264 1.061 14.643
46 2HG GLU 7 2HG GLU 7 5.782 2.474 13.729
47 HE2 GLU 7 HE2 GLU 7 3.813 2.932 17.108
48 H ASP 8 H ASP 8 2.944 -1.036 12.619
49 HA ASP 8 HA ASP 8 0.856 -0.945 10.375
50 1HB ASP 8 1HB ASP 8 -0.062 -3.114 11.486
51 2HB ASP 8 2HB ASP 8 1.226 -3.125 10.287
52 HD2 ASP 8 HD2 ASP 8 3.103 -3.822 10.744
53 H TYR 9 H TYR 9 -0.811 -0.175 11.100
54 HA TYR 9 HA TYR 9 -2.368 1.267 12.326
55 1HB TYR 9 1HB TYR 9 -1.615 -0.451 14.809
56 2HB TYR 9 2HB TYR 9 -3.051 0.498 14.581
57 HD1 TYR 9 HD2 TYR 9 -4.713 -0.173 12.646
58 HD2 TYR 9 HD1 TYR 9 -1.530 -2.767 13.936
59 HE1 TYR 9 HE2 TYR 9 -5.733 -2.057 11.434
60 HE2 TYR 9 HE1 TYR 9 -2.529 -4.610 12.694
61 HH TYR 9 HH TYR 9 -4.204 -5.278 11.411
62 H GLY 10 H GLY 10 0.429 2.104 12.092
63 1HA GLY 10 1HA GLY 10 0.971 3.970 14.430
64 2HA GLY 10 2HA GLY 10 1.854 4.009 12.999
65 H LYS 11 H LYS 11 0.725 5.995 14.199
66 HA LYS 11 HA LYS 11 -1.843 6.877 12.858
67 1HB LYS 11 1HB LYS 11 -0.041 8.883 14.250
68 2HB LYS 11 2HB LYS 11 -1.720 9.048 13.919
69 1HG LYS 11 1HG LYS 11 -0.520 7.151 16.005
70 2HG LYS 11 2HG LYS 11 -1.369 8.643 16.329
71 1HD LYS 11 1HD LYS 11 -2.679 6.134 15.059
72 2HD LYS 11 2HD LYS 11 -2.657 6.512 16.761
73 1HE LYS 11 1HE LYS 11 -4.807 7.182 16.086
74 2HE LYS 11 2HE LYS 11 -3.933 8.697 16.294
75 1HZ LYS 11 1HZ LYS 11 -5.257 8.655 14.287
76 2HZ LYS 11 2HZ LYS 11 -4.500 7.322 13.719
77 H CYS 12 H CYS 12 -2.017 7.809 11.231
78 HA CYS 12 HA CYS 12 0.136 9.115 9.462
79 1HB CYS 12 1HB CYS 12 -0.469 7.684 7.496
80 2HB CYS 12 2HB CYS 12 0.005 6.652 8.821
81 H THR 13 H THR 13 -0.905 9.773 7.358
82 HA THR 13 HA THR 13 -3.868 10.442 7.467
83 HB THR 13 HB THR 13 -3.906 12.703 7.504
84 HG1 THR 13 HG1 THR 13 -2.771 12.906 5.549
85 1HG2 THR 13 2HG2 THR 13 -2.362 12.452 9.564
86 2HG2 THR 13 3HG2 THR 13 -0.941 12.659 8.499
87 3HG2 THR 13 1HG2 THR 13 -2.081 13.996 8.726
88 H TRP 14 H TRP 14 -4.702 10.906 5.541
89 HA TRP 14 HA TRP 14 -3.223 10.014 3.001
90 1HB TRP 14 1HB TRP 14 -6.176 10.834 3.394
91 2HB TRP 14 2HB TRP 14 -5.461 10.438 1.847
92 HD1 TRP 14 HD1 TRP 14 -3.812 7.753 2.431
93 HE1 TRP 14 HE1 TRP 14 -5.004 5.464 2.949
94 HE3 TRP 14 HE3 TRP 14 -8.250 9.751 4.006
95 HZ2 TRP 14 HZ2 TRP 14 -7.606 4.787 3.910
96 HZ3 TRP 14 HZ3 TRP 14 -10.062 8.220 4.695
97 HH2 TRP 14 HH2 TRP 14 -9.745 5.778 4.653
98 H GLY 15 H GLY 15 -1.863 11.520 2.518
99 1HA GLY 15 1HA GLY 15 -1.178 13.705 1.487
100 2HA GLY 15 2HA GLY 15 -2.584 14.494 2.202
101 H GLY 16 H GLY 16 0.188 12.537 3.161
102 1HA GLY 16 1HA GLY 16 1.207 14.204 5.512
103 2HA GLY 16 2HA GLY 16 0.170 12.883 5.930
104 H THR 17 H THR 17 1.960 12.184 6.945
105 HA THR 17 HA THR 17 4.068 10.657 5.348
106 HB THR 17 HB THR 17 3.655 9.833 8.279
107 HG1 THR 17 HG1 THR 17 3.637 12.156 8.221
108 1HG2 THR 17 3HG2 THR 17 6.196 10.255 6.556
109 2HG2 THR 17 1HG2 THR 17 6.139 9.663 8.224
110 3HG2 THR 17 2HG2 THR 17 5.430 8.713 6.923
111 H LYS 18 H LYS 18 3.956 8.617 4.953
112 HA LYS 18 HA LYS 18 1.636 6.736 5.731
113 1HB LYS 18 1HB LYS 18 2.990 6.384 3.046
114 2HB LYS 18 2HB LYS 18 1.615 5.622 3.707
115 1HG LYS 18 1HG LYS 18 0.545 6.905 2.170
116 2HG LYS 18 2HG LYS 18 0.265 7.785 3.661
117 1HD LYS 18 1HD LYS 18 2.171 9.398 2.971
118 2HD LYS 18 2HD LYS 18 2.323 8.497 1.464
119 1HE LYS 18 1HE LYS 18 -0.087 9.074 0.887
120 2HE LYS 18 2HE LYS 18 -0.257 9.930 2.427
121 1HZ LYS 18 1HZ LYS 18 0.241 11.414 0.602
122 2HZ LYS 18 2HZ LYS 18 1.638 10.637 0.256
123 H CYS 19 H CYS 19 2.568 4.586 5.050
124 HA CYS 19 HA CYS 19 4.645 4.377 7.211
125 1HB CYS 19 1HB CYS 19 2.829 2.274 6.027
126 2HB CYS 19 2HB CYS 19 4.296 1.713 6.854
127 H CYS 20 H CYS 20 6.386 3.511 7.189
128 HA CYS 20 HA CYS 20 8.197 4.638 5.722
129 1HB CYS 20 1HB CYS 20 8.389 3.529 8.016
130 2HB CYS 20 2HB CYS 20 8.970 2.054 7.245
131 H ARG 21 H ARG 21 7.565 1.179 5.365
132 HA ARG 21 HA ARG 21 9.649 0.833 3.143
133 1HB ARG 21 1HB ARG 21 9.426 -0.729 5.318
134 2HB ARG 21 2HB ARG 21 7.981 -1.386 4.563
135 1HG ARG 21 1HG ARG 21 9.460 -2.151 2.597
136 2HG ARG 21 2HG ARG 21 10.855 -1.452 3.418
137 1HD ARG 21 1HD ARG 21 10.476 -3.029 5.390
138 2HD ARG 21 2HD ARG 21 9.063 -3.697 4.574
139 1HH1 ARG 21 2HH2 ARG 21 12.592 -3.021 5.048
140 2HH1 ARG 21 1HH2 ARG 21 13.994 -4.014 4.403
141 1HH2 ARG 21 1HH1 ARG 21 11.987 -5.881 2.310
142 2HH2 ARG 21 2HH1 ARG 21 13.671 -5.532 2.951
143 H GLY 22 H GLY 22 7.292 2.090 2.803
144 1HA GLY 22 1HA GLY 22 5.762 2.580 0.863
145 2HA GLY 22 2HA GLY 22 6.385 1.164 0.058
146 H ARG 23 H ARG 23 4.727 1.875 2.958
147 HA ARG 23 HA ARG 23 2.812 -0.492 2.637
148 1HB ARG 23 1HB ARG 23 4.144 0.898 4.965
149 2HB ARG 23 2HB ARG 23 2.749 -0.116 5.290
150 1HG ARG 23 1HG ARG 23 5.253 -1.120 3.808
151 2HG ARG 23 2HG ARG 23 5.259 -0.929 5.541
152 1HD ARG 23 1HD ARG 23 3.119 -2.661 4.133
153 2HD ARG 23 2HD ARG 23 4.685 -3.309 4.608
154 1HH1 ARG 23 2HH2 ARG 23 5.835 -3.352 6.477
155 2HH1 ARG 23 1HH2 ARG 23 5.693 -3.690 8.275
156 1HH2 ARG 23 1HH1 ARG 23 2.341 -2.904 8.378
157 2HH2 ARG 23 2HH1 ARG 23 3.844 -3.450 9.279
158 HA PRO 24 HA PRO 24 -0.383 2.763 2.371
159 1HB PRO 24 1HB PRO 24 -2.631 1.181 2.014
160 2HB PRO 24 2HB PRO 24 -1.329 1.252 0.818
161 1HG PRO 24 1HG PRO 24 -1.729 -0.865 3.002
162 2HG PRO 24 2HG PRO 24 -1.475 -1.134 1.261
163 1HD PRO 24 1HD PRO 24 0.612 -1.238 3.079
164 2HD PRO 24 2HD PRO 24 0.862 -0.616 1.419
165 H CYS 25 H CYS 25 -2.504 3.349 3.262
166 HA CYS 25 HA CYS 25 -2.742 2.732 6.260
167 1HB CYS 25 1HB CYS 25 -2.237 5.352 4.933
168 2HB CYS 25 2HB CYS 25 -3.687 5.384 5.977
169 H ARG 26 H ARG 26 -4.684 2.783 7.094
170 HA ARG 26 HA ARG 26 -7.204 3.079 5.477
171 1HB ARG 26 1HB ARG 26 -6.643 0.595 5.448
172 2HB ARG 26 2HB ARG 26 -6.660 0.567 7.206
173 1HG ARG 26 1HG ARG 26 -9.105 1.237 7.181
174 2HG ARG 26 2HG ARG 26 -9.065 1.320 5.415
175 1HD ARG 26 1HD ARG 26 -8.452 -1.142 5.311
176 2HD ARG 26 2HD ARG 26 -8.496 -1.229 7.081
177 1HH1 ARG 26 2HH2 ARG 26 -9.252 -3.214 5.873
178 2HH1 ARG 26 1HH2 ARG 26 -10.825 -4.151 5.738
179 1HH2 ARG 26 1HH1 ARG 26 -12.788 -1.343 6.095
180 2HH2 ARG 26 2HH1 ARG 26 -12.691 -3.160 5.857
181 H CYS 27 H CYS 27 -8.543 4.370 6.757
182 HA CYS 27 HA CYS 27 -7.242 5.447 9.004
183 1HB CYS 27 1HB CYS 27 -10.047 5.941 7.906
184 2HB CYS 27 2HB CYS 27 -9.722 6.681 9.421
185 H SER 28 H SER 28 -8.353 6.014 11.018
186 HA SER 28 HA SER 28 -8.929 3.760 12.904
187 1HB SER 28 1HB SER 28 -7.607 6.094 13.203
188 2HB SER 28 2HB SER 28 -9.212 6.799 13.398
189 HG SER 28 HG SER 28 -8.257 6.147 15.327
190 H MET 29 H MET 29 -10.606 4.922 14.494
191 HA MET 29 HA MET 29 -13.115 3.509 13.729
192 1HB MET 29 1HB MET 29 -11.946 3.878 16.123
193 2HB MET 29 2HB MET 29 -12.790 5.388 16.182
194 1HG MET 29 1HG MET 29 -15.020 4.122 15.933
195 2HG MET 29 2HG MET 29 -14.107 2.605 15.920
196 1HE MET 29 3HE MET 29 -15.806 5.308 18.092
197 2HE MET 29 2HE MET 29 -14.831 5.367 19.590
198 3HE MET 29 1HE MET 29 -14.181 6.062 18.076
199 H ILE 30 H ILE 30 -12.317 6.872 14.095
200 HA ILE 30 HA ILE 30 -15.173 7.886 13.749
201 HB ILE 30 HB ILE 30 -13.442 8.971 15.330
202 1HG1 ILE 30 1HG1 ILE 30 -15.489 10.190 14.467
203 2HG1 ILE 30 2HG1 ILE 30 -14.179 11.176 15.042
204 1HG2 ILE 30 1HG2 ILE 30 -11.379 8.848 13.813
205 2HG2 ILE 30 2HG2 ILE 30 -12.089 10.072 12.739
206 3HG2 ILE 30 3HG2 ILE 30 -11.676 10.486 14.411
207 1HD1 ILE 30 1HD1 ILE 30 -13.575 11.858 12.693
208 2HD1 ILE 30 2HD1 ILE 30 -14.914 10.869 12.061
209 3HD1 ILE 30 3HD1 ILE 30 -15.250 12.245 13.120
210 H GLY 31 H GLY 31 -12.232 7.979 11.741
211 1HA GLY 31 1HA GLY 31 -12.954 7.322 9.188
212 2HA GLY 31 2HA GLY 31 -13.952 8.758 9.291
213 H THR 32 H THR 32 -12.105 10.346 10.754
214 HA THR 32 HA THR 32 -9.938 10.944 8.641
215 HB THR 32 HB THR 32 -9.776 13.239 9.652
216 HG1 THR 32 HG1 THR 32 -12.208 12.471 10.932
217 1HG2 THR 32 3HG2 THR 32 -11.204 12.907 7.580
218 2HG2 THR 32 1HG2 THR 32 -12.634 12.605 8.602
219 3HG2 THR 32 2HG2 THR 32 -11.850 14.201 8.614
220 H ASN 33 H ASN 33 -7.898 11.531 9.482
221 HA ASN 33 HA ASN 33 -5.938 11.405 10.813
222 1HB ASN 33 1HB ASN 33 -7.829 10.850 13.241
223 2HB ASN 33 2HB ASN 33 -6.112 10.807 13.326
224 1HD2 ASN 33 1HD2 ASN 33 -7.909 14.459 13.425
225 2HD2 ASN 33 2HD2 ASN 33 -8.849 12.893 13.247
226 H CYS 34 H CYS 34 -6.012 9.701 9.246
227 HA CYS 34 HA CYS 34 -6.875 7.071 9.784
228 1HB CYS 34 1HB CYS 34 -4.650 7.999 7.914
229 2HB CYS 34 2HB CYS 34 -5.039 6.289 7.950
230 H GLU 35 H GLU 35 -5.513 5.068 9.750
231 HA GLU 35 HA GLU 35 -2.849 5.286 11.276
232 1HB GLU 35 1HB GLU 35 -4.358 2.721 11.801
233 2HB GLU 35 2HB GLU 35 -3.127 3.516 12.696
234 1HG GLU 35 1HG GLU 35 -4.699 5.270 13.559
235 2HG GLU 35 2HG GLU 35 -6.031 4.474 12.720
236 HE1 GLU 35 HE2 GLU 35 -4.360 2.851 16.044
237 H CYS 36 H CYS 36 -1.774 3.081 11.055
238 HA CYS 36 HA CYS 36 -1.418 2.581 8.036
239 1HB CYS 36 1HB CYS 36 0.473 2.231 10.476
240 2HB CYS 36 2HB CYS 36 0.768 1.233 9.155
241 H THR 37 H THR 37 -1.066 0.372 7.313
242 HA THR 37 HA THR 37 -2.399 -1.820 8.962
243 HB THR 37 HB THR 37 -4.249 -0.860 7.782
244 HG1 THR 37 HG1 THR 37 -4.112 -3.089 7.947
245 1HG2 THR 37 3HG2 THR 37 -2.796 -1.457 5.072
246 2HG2 THR 37 1HG2 THR 37 -4.483 -0.922 5.235
247 3HG2 THR 37 2HG2 THR 37 -3.169 0.175 5.689
248 HA PRO 38 HA PRO 38 1.038 -4.050 6.959
249 1HB PRO 38 1HB PRO 38 0.567 -6.593 7.986
250 2HB PRO 38 2HB PRO 38 1.114 -5.238 8.980
251 1HG PRO 38 1HG PRO 38 -1.704 -6.348 8.707
252 2HG PRO 38 2HG PRO 38 -0.863 -5.844 10.189
253 1HD PRO 38 1HD PRO 38 -2.688 -4.220 8.780
254 2HD PRO 38 2HD PRO 38 -1.451 -3.543 9.817
255 H ARG 39 H ARG 39 1.523 -5.686 5.438
256 HA ARG 39 HA ARG 39 -0.472 -5.955 3.212
257 1HB ARG 39 1HB ARG 39 2.306 -7.282 3.518
258 2HB ARG 39 2HB ARG 39 1.320 -7.302 2.072
259 1HG ARG 39 1HG ARG 39 2.657 -4.855 3.348
260 2HG ARG 39 2HG ARG 39 3.162 -5.673 1.891
261 1HD ARG 39 1HD ARG 39 0.548 -4.049 2.218
262 2HD ARG 39 2HD ARG 39 2.033 -3.488 1.454
263 1HH1 ARG 39 2HH2 ARG 39 0.252 -2.517 0.363
264 2HH1 ARG 39 1HH2 ARG 39 -0.532 -2.584 -1.295
265 1HH2 ARG 39 1HH1 ARG 39 0.241 -5.905 -1.775
266 2HH2 ARG 39 2HH1 ARG 39 -0.537 -4.373 -2.420
267 H LEU 40 H LEU 40 -2.062 -7.245 3.537
268 HA LEU 40 HA LEU 40 -3.459 -9.129 3.910
269 1HB LEU 40 1HB LEU 40 -2.710 -11.266 3.971
270 2HB LEU 40 2HB LEU 40 -1.237 -10.575 3.426
271 HG LEU 40 HG LEU 40 -0.545 -10.659 6.049
272 1HD1 LEU 40 1HD1 LEU 40 -2.817 -11.360 6.926
273 2HD1 LEU 40 2HD1 LEU 40 -2.740 -12.837 5.942
274 3HD1 LEU 40 3HD1 LEU 40 -1.579 -12.577 7.266
275 1HD2 LEU 40 1HD2 LEU 40 0.584 -11.943 4.238
276 2HD2 LEU 40 2HD2 LEU 40 0.394 -12.928 5.700
277 3HD2 LEU 40 3HD2 LEU 40 -0.682 -13.193 4.304
278 H ILE 41 H ILE 41 -4.755 -8.594 5.498
279 HA ILE 41 HA ILE 41 -3.656 -6.972 7.748
280 HB ILE 41 HB ILE 41 -6.617 -7.498 6.977
281 1HG1 ILE 41 1HG1 ILE 41 -4.751 -5.125 6.247
282 2HG1 ILE 41 2HG1 ILE 41 -5.213 -6.389 5.133
283 1HG2 ILE 41 2HG2 ILE 41 -6.298 -6.635 9.370
284 2HG2 ILE 41 3HG2 ILE 41 -5.336 -5.274 8.748
285 3HG2 ILE 41 1HG2 ILE 41 -7.066 -5.420 8.354
286 1HD1 ILE 41 3HD1 ILE 41 -7.647 -5.726 5.304
287 2HD1 ILE 41 1HD1 ILE 41 -7.168 -4.344 6.328
288 3HD1 ILE 41 2HD1 ILE 41 -6.585 -4.452 4.657
289 H MET 42 H MET 42 -2.878 -8.131 9.356
290 HA MET 42 HA MET 42 -4.665 -9.840 11.082
291 1HB MET 42 1HB MET 42 -3.664 -11.448 9.344
292 2HB MET 42 2HB MET 42 -2.052 -11.023 9.889
293 1HG MET 42 1HG MET 42 -2.720 -13.145 10.898
294 2HG MET 42 2HG MET 42 -2.637 -11.959 12.203
295 1HE MET 42 3HE MET 42 -4.284 -12.741 13.993
296 2HE MET 42 2HE MET 42 -4.869 -11.102 13.569
297 3HE MET 42 1HE MET 42 -6.036 -12.435 13.804
298 H GLU 43 H GLU 43 -4.354 -8.795 12.915
299 HA GLU 43 HA GLU 43 -1.665 -7.568 13.675
300 1HB GLU 43 1HB GLU 43 -3.771 -6.261 13.763
301 2HB GLU 43 2HB GLU 43 -4.461 -7.289 14.997
302 1HG GLU 43 1HG GLU 43 -1.801 -5.725 15.364
303 2HG GLU 43 2HG GLU 43 -3.355 -4.956 15.572
304 HE1 GLU 43 HE2 GLU 43 -4.233 -6.624 18.521
305 H GLY 44 H GLY 44 -0.502 -8.276 15.215
306 1HA GLY 44 1HA GLY 44 -0.934 -11.090 16.307
307 2HA GLY 44 2HA GLY 44 0.586 -10.228 16.285
308 H LEU 45 H LEU 45 1.240 -9.334 18.156
309 HA LEU 45 HA LEU 45 -0.590 -9.383 20.611
310 1HB LEU 45 1HB LEU 45 2.473 -9.126 20.342
311 2HB LEU 45 2HB LEU 45 1.615 -9.056 21.865
312 HG LEU 45 HG LEU 45 1.632 -11.512 20.010
313 1HD1 LEU 45 2HD1 LEU 45 3.894 -11.045 20.969
314 2HD1 LEU 45 3HD1 LEU 45 3.215 -11.001 22.614
315 3HD1 LEU 45 1HD1 LEU 45 3.201 -12.516 21.677
316 1HD2 LEU 45 2HD2 LEU 45 0.538 -11.224 22.893
317 2HD2 LEU 45 3HD2 LEU 45 -0.426 -11.522 21.425
318 3HD2 LEU 45 1HD2 LEU 45 0.701 -12.758 22.001
319 H SER 46 H SER 46 2.002 -7.192 19.477
320 HA SER 46 HA SER 46 0.746 -4.816 20.830
321 1HB SER 46 1HB SER 46 2.680 -3.540 19.926
322 2HB SER 46 2HB SER 46 3.232 -5.014 20.708
323 HG SER 46 HG SER 46 4.226 -4.615 18.705
324 H PHE 47 H PHE 47 -0.481 -3.294 19.952
325 HA PHE 47 HA PHE 47 -1.707 -3.665 17.237
326 1HB PHE 47 1HB PHE 47 -2.986 -2.984 19.333
327 2HB PHE 47 2HB PHE 47 -2.112 -1.477 19.396
328 HD1 PHE 47 HD1 PHE 47 -4.354 -3.529 17.115
329 HD2 PHE 47 HD2 PHE 47 -3.083 0.423 18.248
330 HE1 PHE 47 HE1 PHE 47 -6.106 -2.548 15.693
331 HE2 PHE 47 HE2 PHE 47 -4.867 1.382 16.858
332 HZ PHE 47 HZ PHE 47 -6.372 -0.094 15.567
333 H ALA 48 H ALA 48 -0.435 -0.588 18.542
334 HA ALA 48 HA ALA 48 0.458 0.329 15.839
335 1HB ALA 48 3HB ALA 48 0.989 1.569 18.633
336 2HB ALA 48 1HB ALA 48 1.274 2.358 17.061
337 3HB ALA 48 2HB ALA 48 -0.378 1.951 17.554
338 HXT ALA 48 HO ALA 48 3.750 -0.662 18.072
No H/Q in entry = 338
Start of MODEL 18
Raw file had 348 H/Q atoms
Start of MODEL 18
1 1H GLU 1 3H GLU 1 14.006 4.096 11.305
2 2H GLU 1 1H GLU 1 13.664 4.541 12.860
3 3H GLU 1 2H GLU 1 12.815 3.316 12.145
4 HA GLU 1 HA GLU 1 11.834 4.825 10.526
5 1HB GLU 1 1HB GLU 1 10.760 4.360 12.835
6 2HB GLU 1 2HB GLU 1 11.494 5.833 13.450
7 1HG GLU 1 1HG GLU 1 10.192 7.163 11.677
8 2HG GLU 1 2HG GLU 1 9.487 5.660 11.096
9 HE2 GLU 1 HE2 GLU 1 8.176 7.469 14.450
10 H ASP 2 H ASP 2 12.465 6.437 9.296
11 HA ASP 2 HA ASP 2 13.544 9.036 10.457
12 1HB ASP 2 1HB ASP 2 15.415 9.182 8.856
13 2HB ASP 2 2HB ASP 2 15.633 7.879 9.985
14 HD1 ASP 2 HD2 ASP 2 15.396 5.842 9.310
15 H ASN 3 H ASN 3 11.961 10.252 9.812
16 HA ASN 3 HA ASN 3 10.472 11.562 8.532
17 1HB ASN 3 1HB ASN 3 12.062 10.496 6.116
18 2HB ASN 3 2HB ASN 3 11.000 11.883 6.030
19 1HD2 ASN 3 1HD2 ASN 3 14.806 12.718 6.921
20 2HD2 ASN 3 2HD2 ASN 3 14.209 11.096 6.306
21 H CYS 4 H CYS 4 10.195 8.727 8.763
22 HA CYS 4 HA CYS 4 7.741 8.163 6.915
23 1HB CYS 4 1HB CYS 4 8.381 6.022 6.784
24 2HB CYS 4 2HB CYS 4 9.546 6.897 5.947
25 H ILE 5 H ILE 5 6.650 6.055 7.594
26 HA ILE 5 HA ILE 5 6.125 6.106 10.672
27 HB ILE 5 HB ILE 5 3.908 5.157 8.751
28 1HG1 ILE 5 1HG1 ILE 5 4.102 7.839 10.152
29 2HG1 ILE 5 2HG1 ILE 5 4.479 7.662 8.463
30 1HG2 ILE 5 2HG2 ILE 5 3.911 4.247 11.138
31 2HG2 ILE 5 3HG2 ILE 5 3.730 5.917 11.723
32 3HG2 ILE 5 1HG2 ILE 5 2.495 5.165 10.694
33 1HD1 ILE 5 3HD1 ILE 5 1.772 6.962 9.630
34 2HD1 ILE 5 1HD1 ILE 5 2.169 8.454 8.765
35 3HD1 ILE 5 2HD1 ILE 5 2.219 6.888 7.908
36 H ALA 6 H ALA 6 7.543 4.478 11.188
37 HA ALA 6 HA ALA 6 7.982 2.118 9.419
38 1HB ALA 6 2HB ALA 6 9.790 2.982 11.042
39 2HB ALA 6 3HB ALA 6 8.766 2.572 12.445
40 3HB ALA 6 1HB ALA 6 9.450 1.288 11.419
41 H GLU 7 H GLU 7 5.639 2.768 11.312
42 HA GLU 7 HA GLU 7 3.805 1.779 12.535
43 1HB GLU 7 1HB GLU 7 2.362 1.377 10.694
44 2HB GLU 7 2HB GLU 7 3.569 2.321 9.958
45 1HG GLU 7 1HG GLU 7 2.847 -0.632 9.611
46 2HG GLU 7 2HG GLU 7 2.843 0.593 8.393
47 HE1 GLU 7 HE2 GLU 7 6.332 0.312 7.737
48 H ASP 8 H ASP 8 2.525 0.496 13.063
49 HA ASP 8 HA ASP 8 1.896 -2.109 12.315
50 1HB ASP 8 1HB ASP 8 2.281 -2.425 15.271
51 2HB ASP 8 2HB ASP 8 2.215 -3.634 14.024
52 HD1 ASP 8 HD2 ASP 8 4.255 -1.463 15.588
53 H TYR 9 H TYR 9 0.126 -1.344 12.304
54 HA TYR 9 HA TYR 9 -1.796 0.364 12.349
55 1HB TYR 9 1HB TYR 9 -1.659 -0.617 15.298
56 2HB TYR 9 2HB TYR 9 -2.959 0.334 14.631
57 HD1 TYR 9 HD1 TYR 9 -4.307 -0.572 12.593
58 HD2 TYR 9 HD2 TYR 9 -1.646 -3.065 14.879
59 HE1 TYR 9 HE1 TYR 9 -5.360 -2.579 11.643
60 HE2 TYR 9 HE2 TYR 9 -2.712 -5.062 13.927
61 HH TYR 9 HH TYR 9 -4.256 -5.849 12.541
62 H GLY 10 H GLY 10 0.748 1.415 12.334
63 1HA GLY 10 1HA GLY 10 1.275 3.609 14.185
64 2HA GLY 10 2HA GLY 10 1.864 3.623 12.563
65 H LYS 11 H LYS 11 1.188 5.751 13.730
66 HA LYS 11 HA LYS 11 -1.663 6.604 12.885
67 1HB LYS 11 1HB LYS 11 0.275 8.579 14.116
68 2HB LYS 11 2HB LYS 11 -1.443 8.704 13.978
69 1HG LYS 11 1HG LYS 11 -1.783 6.805 15.602
70 2HG LYS 11 2HG LYS 11 -0.050 6.705 15.868
71 1HD LYS 11 1HD LYS 11 -1.802 9.180 16.442
72 2HD LYS 11 2HD LYS 11 -1.341 7.994 17.641
73 1HE LYS 11 1HE LYS 11 0.659 9.810 16.125
74 2HE LYS 11 2HE LYS 11 0.012 10.125 17.730
75 1HZ LYS 11 1HZ LYS 11 1.042 8.110 18.533
76 2HZ LYS 11 2HZ LYS 11 2.153 9.116 17.881
77 H CYS 12 H CYS 12 -1.934 7.556 11.232
78 HA CYS 12 HA CYS 12 0.148 8.972 9.445
79 1HB CYS 12 1HB CYS 12 -0.554 7.655 7.423
80 2HB CYS 12 2HB CYS 12 -0.035 6.537 8.656
81 H THR 13 H THR 13 -0.912 9.768 7.427
82 HA THR 13 HA THR 13 -3.866 10.467 7.697
83 HB THR 13 HB THR 13 -3.867 12.716 7.874
84 HG1 THR 13 HG1 THR 13 -1.360 12.908 6.561
85 1HG2 THR 13 2HG2 THR 13 -2.252 12.314 9.855
86 2HG2 THR 13 3HG2 THR 13 -0.868 12.570 8.753
87 3HG2 THR 13 1HG2 THR 13 -1.979 13.905 9.107
88 H TRP 14 H TRP 14 -4.758 11.042 5.835
89 HA TRP 14 HA TRP 14 -3.363 10.298 3.192
90 1HB TRP 14 1HB TRP 14 -6.316 11.000 3.757
91 2HB TRP 14 2HB TRP 14 -5.657 10.707 2.161
92 HD1 TRP 14 HD1 TRP 14 -3.770 8.006 3.287
93 HE1 TRP 14 HE1 TRP 14 -4.985 5.687 3.491
94 HE3 TRP 14 HE3 TRP 14 -8.538 9.856 3.406
95 HZ2 TRP 14 HZ2 TRP 14 -7.728 4.921 3.666
96 HZ3 TRP 14 HZ3 TRP 14 -10.421 8.265 3.582
97 HH2 TRP 14 HH2 TRP 14 -10.024 5.839 3.711
98 H GLY 15 H GLY 15 -2.042 11.841 2.805
99 1HA GLY 15 1HA GLY 15 -1.436 14.095 1.847
100 2HA GLY 15 2HA GLY 15 -2.803 14.823 2.694
101 H GLY 16 H GLY 16 0.007 12.797 3.379
102 1HA GLY 16 1HA GLY 16 1.146 14.318 5.776
103 2HA GLY 16 2HA GLY 16 0.139 12.963 6.160
104 H THR 17 H THR 17 2.000 12.237 7.047
105 HA THR 17 HA THR 17 4.056 10.852 5.276
106 HB THR 17 HB THR 17 3.709 9.884 8.181
107 HG1 THR 17 HG1 THR 17 3.736 12.195 8.208
108 1HG2 THR 17 2HG2 THR 17 5.458 8.794 6.702
109 2HG2 THR 17 3HG2 THR 17 6.241 10.346 6.426
110 3HG2 THR 17 1HG2 THR 17 6.185 9.637 8.054
111 H LYS 18 H LYS 18 4.060 8.820 4.818
112 HA LYS 18 HA LYS 18 1.715 6.874 5.342
113 1HB LYS 18 1HB LYS 18 3.438 6.507 2.898
114 2HB LYS 18 2HB LYS 18 1.892 5.860 3.285
115 1HG LYS 18 1HG LYS 18 0.788 8.124 2.984
116 2HG LYS 18 2HG LYS 18 2.311 8.770 2.390
117 1HD LYS 18 1HD LYS 18 0.759 6.413 1.129
118 2HD LYS 18 2HD LYS 18 0.667 8.087 0.598
119 1HE LYS 18 1HE LYS 18 3.141 8.065 0.015
120 2HE LYS 18 2HE LYS 18 3.243 6.372 0.521
121 1HZ LYS 18 1HZ LYS 18 1.482 7.396 -1.635
122 2HZ LYS 18 2HZ LYS 18 1.576 5.833 -1.163
123 H CYS 19 H CYS 19 2.675 4.744 4.771
124 HA CYS 19 HA CYS 19 4.535 4.363 7.137
125 1HB CYS 19 1HB CYS 19 2.686 2.523 5.574
126 2HB CYS 19 2HB CYS 19 3.895 1.819 6.696
127 H CYS 20 H CYS 20 6.329 3.580 7.181
128 HA CYS 20 HA CYS 20 8.202 4.583 5.678
129 1HB CYS 20 1HB CYS 20 8.392 3.594 8.002
130 2HB CYS 20 2HB CYS 20 8.914 2.057 7.309
131 H ARG 21 H ARG 21 7.531 1.102 5.522
132 HA ARG 21 HA ARG 21 9.615 0.628 3.333
133 1HB ARG 21 1HB ARG 21 9.382 -0.752 5.634
134 2HB ARG 21 2HB ARG 21 7.981 -1.516 4.902
135 1HG ARG 21 1HG ARG 21 9.517 -2.379 3.041
136 2HG ARG 21 2HG ARG 21 10.879 -1.573 3.797
137 1HD ARG 21 1HD ARG 21 9.181 -3.806 5.113
138 2HD ARG 21 2HD ARG 21 10.693 -4.078 4.265
139 1HH1 ARG 21 2HH2 ARG 21 12.757 -3.431 4.532
140 2HH1 ARG 21 1HH2 ARG 21 14.057 -3.165 5.800
141 1HH2 ARG 21 1HH1 ARG 21 11.773 -2.581 8.320
142 2HH2 ARG 21 2HH1 ARG 21 13.532 -2.713 7.812
143 H GLY 22 H GLY 22 7.240 1.809 2.877
144 1HA GLY 22 1HA GLY 22 5.920 2.139 0.739
145 2HA GLY 22 2HA GLY 22 6.503 0.596 0.177
146 H ARG 23 H ARG 23 4.672 1.803 2.766
147 HA ARG 23 HA ARG 23 2.543 -0.415 2.528
148 1HB ARG 23 1HB ARG 23 4.038 0.809 4.847
149 2HB ARG 23 2HB ARG 23 2.346 0.421 5.154
150 1HG ARG 23 1HG ARG 23 3.761 -1.195 6.023
151 2HG ARG 23 2HG ARG 23 2.696 -1.910 4.818
152 1HD ARG 23 1HD ARG 23 4.574 -2.115 3.190
153 2HD ARG 23 2HD ARG 23 5.628 -1.120 4.211
154 1HH1 ARG 23 2HH2 ARG 23 6.381 -3.348 2.758
155 2HH1 ARG 23 1HH2 ARG 23 7.233 -4.898 3.246
156 1HH2 ARG 23 1HH1 ARG 23 5.904 -4.873 6.429
157 2HH2 ARG 23 2HH1 ARG 23 6.979 -5.707 5.198
158 HA PRO 24 HA PRO 24 -0.411 3.175 2.225
159 1HB PRO 24 1HB PRO 24 -2.694 1.771 1.602
160 2HB PRO 24 2HB PRO 24 -1.319 1.830 0.491
161 1HG PRO 24 1HG PRO 24 -2.008 -0.399 2.483
162 2HG PRO 24 2HG PRO 24 -1.649 -0.565 0.746
163 1HD PRO 24 1HD PRO 24 0.279 -0.915 2.732
164 2HD PRO 24 2HD PRO 24 0.695 -0.300 1.102
165 H CYS 25 H CYS 25 -2.732 3.559 3.087
166 HA CYS 25 HA CYS 25 -2.901 2.781 6.054
167 1HB CYS 25 1HB CYS 25 -2.406 5.478 4.894
168 2HB CYS 25 2HB CYS 25 -3.896 5.461 5.880
169 H ARG 26 H ARG 26 -4.892 3.044 6.996
170 HA ARG 26 HA ARG 26 -7.389 3.192 5.333
171 1HB ARG 26 1HB ARG 26 -6.731 0.711 5.478
172 2HB ARG 26 2HB ARG 26 -6.909 0.769 7.215
173 1HG ARG 26 1HG ARG 26 -9.162 1.410 5.185
174 2HG ARG 26 2HG ARG 26 -8.826 -0.197 5.812
175 1HD ARG 26 1HD ARG 26 -9.278 0.625 8.185
176 2HD ARG 26 2HD ARG 26 -9.713 2.209 7.520
177 1HH1 ARG 26 2HH2 ARG 26 -11.053 1.702 9.366
178 2HH1 ARG 26 1HH2 ARG 26 -12.834 1.388 9.676
179 1HH2 ARG 26 1HH1 ARG 26 -13.335 -0.104 6.613
180 2HH2 ARG 26 2HH1 ARG 26 -14.037 0.435 8.221
181 H CYS 27 H CYS 27 -8.448 4.755 6.425
182 HA CYS 27 HA CYS 27 -7.295 5.728 8.855
183 1HB CYS 27 1HB CYS 27 -9.973 6.631 7.620
184 2HB CYS 27 2HB CYS 27 -9.070 7.542 8.784
185 H SER 28 H SER 28 -8.608 6.453 10.743
186 HA SER 28 HA SER 28 -10.009 4.380 12.328
187 1HB SER 28 1HB SER 28 -9.604 7.461 12.577
188 2HB SER 28 2HB SER 28 -10.409 6.543 13.825
189 HG SER 28 HG SER 28 -8.605 5.174 13.958
190 H MET 29 H MET 29 -12.024 5.230 13.502
191 HA MET 29 HA MET 29 -14.213 4.298 11.795
192 1HB MET 29 1HB MET 29 -15.532 4.462 13.848
193 2HB MET 29 2HB MET 29 -13.927 3.869 14.217
194 1HG MET 29 1HG MET 29 -14.346 5.187 16.060
195 2HG MET 29 2HG MET 29 -13.419 6.326 15.073
196 1HE MET 29 2HE MET 29 -14.414 8.398 16.443
197 2HE MET 29 1HE MET 29 -16.158 8.638 16.757
198 3HE MET 29 3HE MET 29 -15.302 7.252 17.497
199 H ILE 30 H ILE 30 -13.529 7.351 13.055
200 HA ILE 30 HA ILE 30 -15.981 8.784 11.939
201 HB ILE 30 HB ILE 30 -14.833 9.509 14.138
202 1HG1 ILE 30 1HG1 ILE 30 -14.801 12.017 13.662
203 2HG1 ILE 30 2HG1 ILE 30 -14.915 11.706 11.941
204 1HG2 ILE 30 3HG2 ILE 30 -12.383 9.251 13.372
205 2HG2 ILE 30 1HG2 ILE 30 -12.572 10.703 12.361
206 3HG2 ILE 30 2HG2 ILE 30 -12.726 10.814 14.124
207 1HD1 ILE 30 2HD1 ILE 30 -17.037 10.894 14.055
208 2HD1 ILE 30 3HD1 ILE 30 -17.123 12.314 12.985
209 3HD1 ILE 30 1HD1 ILE 30 -17.212 10.682 12.291
210 H GLY 31 H GLY 31 -12.567 8.677 10.999
211 1HA GLY 31 1HA GLY 31 -12.398 8.512 8.287
212 2HA GLY 31 2HA GLY 31 -13.248 10.046 8.310
213 H THR 32 H THR 32 -11.965 11.158 10.540
214 HA THR 32 HA THR 32 -9.231 11.951 9.387
215 HB THR 32 HB THR 32 -9.216 13.732 11.170
216 HG1 THR 32 HG1 THR 32 -10.704 12.700 12.577
217 1HG2 THR 32 1HG2 THR 32 -10.112 14.313 8.868
218 2HG2 THR 32 2HG2 THR 32 -11.760 13.868 9.385
219 3HG2 THR 32 3HG2 THR 32 -10.929 15.248 10.139
220 H ASN 33 H ASN 33 -7.452 11.949 10.764
221 HA ASN 33 HA ASN 33 -5.840 11.106 12.302
222 1HB ASN 33 1HB ASN 33 -8.309 10.254 14.026
223 2HB ASN 33 2HB ASN 33 -6.683 9.922 14.471
224 1HD2 ASN 33 1HD2 ASN 33 -8.098 13.663 15.207
225 2HD2 ASN 33 2HD2 ASN 33 -9.108 12.351 14.416
226 H CYS 34 H CYS 34 -5.992 9.886 10.159
227 HA CYS 34 HA CYS 34 -6.996 7.207 10.023
228 1HB CYS 34 1HB CYS 34 -4.567 8.250 8.468
229 2HB CYS 34 2HB CYS 34 -5.523 6.860 8.020
230 H GLU 35 H GLU 35 -5.774 5.135 9.824
231 HA GLU 35 HA GLU 35 -3.089 5.103 11.323
232 1HB GLU 35 1HB GLU 35 -4.823 2.621 11.674
233 2HB GLU 35 2HB GLU 35 -3.397 3.084 12.487
234 1HG GLU 35 1HG GLU 35 -4.416 4.834 13.805
235 2HG GLU 35 2HG GLU 35 -5.996 4.565 13.046
236 HE2 GLU 35 HE2 GLU 35 -6.784 1.753 14.875
237 H CYS 36 H CYS 36 -2.156 2.985 10.998
238 HA CYS 36 HA CYS 36 -1.750 2.663 7.982
239 1HB CYS 36 1HB CYS 36 0.103 3.503 9.582
240 2HB CYS 36 2HB CYS 36 0.198 1.851 10.246
241 H THR 37 H THR 37 -1.285 0.713 7.058
242 HA THR 37 HA THR 37 -2.454 -1.822 8.327
243 HB THR 37 HB THR 37 -2.145 -2.880 6.110
244 HG1 THR 37 HG1 THR 37 -1.728 -1.498 4.336
245 1HG2 THR 37 2HG2 THR 37 -4.362 -1.726 6.654
246 2HG2 THR 37 3HG2 THR 37 -3.764 -0.230 5.893
247 3HG2 THR 37 1HG2 THR 37 -4.002 -1.696 4.913
248 HA PRO 38 HA PRO 38 2.031 -2.694 9.496
249 1HB PRO 38 1HB PRO 38 0.819 -5.515 9.692
250 2HB PRO 38 2HB PRO 38 1.907 -4.696 10.826
251 1HG PRO 38 1HG PRO 38 -0.762 -4.872 11.362
252 2HG PRO 38 2HG PRO 38 0.104 -3.370 11.730
253 1HD PRO 38 1HD PRO 38 -1.752 -3.929 9.382
254 2HD PRO 38 2HD PRO 38 -1.541 -2.434 10.327
255 H ARG 39 H ARG 39 0.418 -5.120 7.475
256 HA ARG 39 HA ARG 39 2.165 -4.527 5.150
257 1HB ARG 39 1HB ARG 39 3.603 -6.203 6.463
258 2HB ARG 39 2HB ARG 39 2.337 -7.410 6.304
259 1HG ARG 39 1HG ARG 39 2.567 -7.242 3.759
260 2HG ARG 39 2HG ARG 39 3.826 -6.026 3.971
261 1HD ARG 39 1HD ARG 39 5.222 -7.735 5.263
262 2HD ARG 39 2HD ARG 39 3.963 -8.951 4.980
263 1HH1 ARG 39 2HH2 ARG 39 6.250 -9.777 4.945
264 2HH1 ARG 39 1HH2 ARG 39 7.354 -10.561 3.707
265 1HH2 ARG 39 1HH1 ARG 39 5.984 -8.833 1.060
266 2HH2 ARG 39 2HH1 ARG 39 7.212 -10.060 1.655
267 H LEU 40 H LEU 40 0.348 -7.450 6.055
268 HA LEU 40 HA LEU 40 -2.011 -6.591 4.268
269 1HB LEU 40 1HB LEU 40 -0.999 -9.433 4.930
270 2HB LEU 40 2HB LEU 40 -2.634 -9.141 4.418
271 HG LEU 40 HG LEU 40 -1.366 -9.959 2.597
272 1HD1 LEU 40 2HD1 LEU 40 -3.221 -8.364 2.061
273 2HD1 LEU 40 3HD1 LEU 40 -2.054 -7.021 1.979
274 3HD1 LEU 40 1HD1 LEU 40 -1.955 -8.364 0.818
275 1HD2 LEU 40 2HD2 LEU 40 0.936 -9.135 3.191
276 2HD2 LEU 40 3HD2 LEU 40 0.519 -8.879 1.484
277 3HD2 LEU 40 1HD2 LEU 40 0.487 -7.508 2.614
278 H ILE 41 H ILE 41 -3.850 -6.259 5.351
279 HA ILE 41 HA ILE 41 -3.995 -6.756 8.359
280 HB ILE 41 HB ILE 41 -6.364 -5.437 7.964
281 1HG1 ILE 41 1HG1 ILE 41 -6.132 -3.570 6.336
282 2HG1 ILE 41 2HG1 ILE 41 -4.725 -4.300 5.599
283 1HG2 ILE 41 3HG2 ILE 41 -4.383 -4.702 9.359
284 2HG2 ILE 41 1HG2 ILE 41 -3.581 -4.070 7.900
285 3HG2 ILE 41 2HG2 ILE 41 -5.094 -3.339 8.488
286 1HD1 ILE 41 3HD1 ILE 41 -7.570 -5.521 5.578
287 2HD1 ILE 41 1HD1 ILE 41 -6.830 -4.582 4.259
288 3HD1 ILE 41 2HD1 ILE 41 -6.151 -6.162 4.696
289 H MET 42 H MET 42 -4.350 -8.843 8.600
290 HA MET 42 HA MET 42 -7.107 -9.909 8.020
291 1HB MET 42 1HB MET 42 -6.465 -11.951 6.941
292 2HB MET 42 2HB MET 42 -5.810 -10.648 5.993
293 1HG MET 42 1HG MET 42 -4.216 -12.582 7.794
294 2HG MET 42 2HG MET 42 -4.267 -12.536 6.030
295 1HE MET 42 2HE MET 42 -1.623 -12.581 5.990
296 2HE MET 42 1HE MET 42 -0.594 -11.336 6.758
297 3HE MET 42 3HE MET 42 -1.504 -12.490 7.777
298 H GLU 43 H GLU 43 -7.782 -10.848 9.794
299 HA GLU 43 HA GLU 43 -5.848 -11.364 12.096
300 1HB GLU 43 1HB GLU 43 -8.924 -11.279 12.136
301 2HB GLU 43 2HB GLU 43 -7.882 -11.403 13.531
302 1HG GLU 43 1HG GLU 43 -8.091 -8.955 11.672
303 2HG GLU 43 2HG GLU 43 -8.797 -9.117 13.267
304 HE1 GLU 43 HE2 GLU 43 -5.866 -8.548 15.040
305 H GLY 44 H GLY 44 -5.470 -13.278 12.841
306 1HA GLY 44 1HA GLY 44 -6.020 -15.622 13.471
307 2HA GLY 44 2HA GLY 44 -7.121 -15.761 12.121
308 H LEU 45 H LEU 45 -3.741 -15.582 13.023
309 HA LEU 45 HA LEU 45 -1.712 -16.426 12.142
310 1HB LEU 45 1HB LEU 45 -3.185 -18.569 12.343
311 2HB LEU 45 2HB LEU 45 -3.613 -18.395 10.657
312 HG LEU 45 HG LEU 45 -1.106 -18.619 10.075
313 1HD1 LEU 45 1HD1 LEU 45 -0.840 -19.454 13.043
314 2HD1 LEU 45 2HD1 LEU 45 0.405 -19.668 11.787
315 3HD1 LEU 45 3HD1 LEU 45 -0.073 -18.038 12.283
316 1HD2 LEU 45 1HD2 LEU 45 -2.704 -20.517 9.826
317 2HD2 LEU 45 2HD2 LEU 45 -1.107 -21.098 10.332
318 3HD2 LEU 45 3HD2 LEU 45 -2.432 -21.002 11.519
319 H SER 46 H SER 46 -3.142 -17.348 9.051
320 HA SER 46 HA SER 46 -2.165 -14.811 7.683
321 1HB SER 46 1HB SER 46 -0.598 -16.079 6.194
322 2HB SER 46 2HB SER 46 -0.096 -16.186 7.875
323 HG SER 46 HG SER 46 -0.010 -18.174 6.811
324 H PHE 47 H PHE 47 -3.276 -14.382 5.934
325 HA PHE 47 HA PHE 47 -4.803 -16.534 4.385
326 1HB PHE 47 1HB PHE 47 -6.090 -13.885 5.344
327 2HB PHE 47 2HB PHE 47 -6.771 -14.934 4.136
328 HD1 PHE 47 HD1 PHE 47 -7.368 -17.394 4.777
329 HD2 PHE 47 HD2 PHE 47 -6.544 -14.351 7.711
330 HE1 PHE 47 HE1 PHE 47 -8.541 -18.712 6.491
331 HE2 PHE 47 HE2 PHE 47 -7.737 -15.683 9.402
332 HZ PHE 47 HZ PHE 47 -8.728 -17.860 8.804
333 H ALA 48 H ALA 48 -3.887 -16.394 2.477
334 HA ALA 48 HA ALA 48 -2.695 -13.823 1.372
335 1HB ALA 48 3HB ALA 48 -2.661 -16.727 0.270
336 2HB ALA 48 1HB ALA 48 -1.760 -15.343 -0.395
337 3HB ALA 48 2HB ALA 48 -1.372 -15.951 1.224
338 HXT ALA 48 HO ALA 48 -5.759 -15.334 -0.892
No H/Q in entry = 338
Start of MODEL 19
Raw file had 348 H/Q atoms
Start of MODEL 19
1 1H GLU 1 3H GLU 1 14.276 12.749 2.954
2 2H GLU 1 1H GLU 1 14.333 14.391 2.781
3 3H GLU 1 2H GLU 1 15.124 13.664 4.036
4 HA GLU 1 HA GLU 1 13.106 14.730 4.855
5 1HB GLU 1 1HB GLU 1 11.770 12.825 2.804
6 2HB GLU 1 2HB GLU 1 10.882 13.622 4.082
7 1HG GLU 1 1HG GLU 1 12.395 15.113 1.843
8 2HG GLU 1 2HG GLU 1 10.686 14.730 1.837
9 HE2 GLU 1 HE2 GLU 1 12.081 17.880 3.870
10 H ASP 2 H ASP 2 13.194 13.922 6.810
11 HA ASP 2 HA ASP 2 13.049 10.876 7.329
12 1HB ASP 2 1HB ASP 2 14.374 13.094 9.031
13 2HB ASP 2 2HB ASP 2 14.099 11.453 9.579
14 HD2 ASP 2 HD2 ASP 2 15.834 13.445 7.544
15 H ASN 3 H ASN 3 10.890 10.610 7.488
16 HA ASN 3 HA ASN 3 9.501 10.912 9.811
17 1HB ASN 3 1HB ASN 3 9.186 13.065 9.823
18 2HB ASN 3 2HB ASN 3 8.837 13.375 8.109
19 1HD2 ASN 3 1HD2 ASN 3 5.315 13.359 8.941
20 2HD2 ASN 3 2HD2 ASN 3 6.681 13.858 7.823
21 H CYS 4 H CYS 4 9.256 9.266 9.161
22 HA CYS 4 HA CYS 4 7.108 8.308 7.077
23 1HB CYS 4 1HB CYS 4 8.039 6.238 7.040
24 2HB CYS 4 2HB CYS 4 9.109 7.276 6.233
25 H ILE 5 H ILE 5 6.161 6.115 7.673
26 HA ILE 5 HA ILE 5 5.406 6.134 10.716
27 HB ILE 5 HB ILE 5 3.490 4.690 8.754
28 1HG1 ILE 5 1HG1 ILE 5 3.429 7.055 8.005
29 2HG1 ILE 5 2HG1 ILE 5 2.032 6.478 8.755
30 1HG2 ILE 5 3HG2 ILE 5 3.159 5.587 11.664
31 2HG2 ILE 5 1HG2 ILE 5 1.930 4.867 10.614
32 3HG2 ILE 5 2HG2 ILE 5 3.340 3.928 11.058
33 1HD1 ILE 5 2HD1 ILE 5 3.137 7.625 10.950
34 2HD1 ILE 5 3HD1 ILE 5 4.189 8.382 9.714
35 3HD1 ILE 5 1HD1 ILE 5 2.404 8.632 9.667
36 H ALA 6 H ALA 6 6.934 4.674 11.407
37 HA ALA 6 HA ALA 6 7.874 2.481 9.557
38 1HB ALA 6 2HB ALA 6 9.504 3.726 11.120
39 2HB ALA 6 3HB ALA 6 8.647 3.084 12.548
40 3HB ALA 6 1HB ALA 6 9.540 1.991 11.467
41 H GLU 7 H GLU 7 5.276 2.596 11.225
42 HA GLU 7 HA GLU 7 5.054 -0.374 11.947
43 1HB GLU 7 1HB GLU 7 4.278 2.164 13.572
44 2HB GLU 7 2HB GLU 7 3.444 0.691 13.893
45 1HG GLU 7 1HG GLU 7 5.037 0.702 15.557
46 2HG GLU 7 2HG GLU 7 5.654 -0.482 14.424
47 HE1 GLU 7 HE2 GLU 7 7.493 3.152 14.835
48 H ASP 8 H ASP 8 3.488 -1.547 11.803
49 HA ASP 8 HA ASP 8 1.091 -0.845 10.129
50 1HB ASP 8 1HB ASP 8 1.496 -3.324 11.830
51 2HB ASP 8 2HB ASP 8 0.216 -3.064 10.684
52 HD2 ASP 8 HD2 ASP 8 2.691 -4.737 10.953
53 H TYR 9 H TYR 9 -0.630 -0.380 10.935
54 HA TYR 9 HA TYR 9 -2.214 0.979 12.254
55 1HB TYR 9 1HB TYR 9 -1.445 -1.015 14.520
56 2HB TYR 9 2HB TYR 9 -2.895 -0.053 14.435
57 HD1 TYR 9 HD1 TYR 9 -4.499 -0.433 12.314
58 HD2 TYR 9 HD2 TYR 9 -1.430 -3.220 13.474
59 HE1 TYR 9 HE1 TYR 9 -5.436 -2.122 10.789
60 HE2 TYR 9 HE2 TYR 9 -2.378 -4.891 11.947
61 HH TYR 9 HH TYR 9 -5.239 -4.162 9.953
62 H GLY 10 H GLY 10 0.538 1.880 12.114
63 1HA GLY 10 1HA GLY 10 1.083 3.491 14.620
64 2HA GLY 10 2HA GLY 10 1.996 3.617 13.214
65 H LYS 11 H LYS 11 0.961 5.534 14.561
66 HA LYS 11 HA LYS 11 -1.611 6.618 13.384
67 1HB LYS 11 1HB LYS 11 -0.897 8.896 14.631
68 2HB LYS 11 2HB LYS 11 -1.566 7.525 15.406
69 1HG LYS 11 1HG LYS 11 0.116 8.444 16.855
70 2HG LYS 11 2HG LYS 11 0.656 6.864 16.351
71 1HD LYS 11 1HD LYS 11 2.574 8.332 16.372
72 2HD LYS 11 2HD LYS 11 2.257 7.892 14.716
73 1HE LYS 11 1HE LYS 11 2.851 10.234 14.730
74 2HE LYS 11 2HE LYS 11 1.138 10.172 14.336
75 1HZ LYS 11 1HZ LYS 11 1.654 11.866 15.966
76 2HZ LYS 11 2HZ LYS 11 2.300 10.780 17.003
77 H CYS 12 H CYS 12 -1.835 7.679 11.790
78 HA CYS 12 HA CYS 12 0.353 9.102 10.130
79 1HB CYS 12 1HB CYS 12 0.192 7.587 8.349
80 2HB CYS 12 2HB CYS 12 0.203 6.504 9.708
81 H THR 13 H THR 13 -0.825 9.378 7.929
82 HA THR 13 HA THR 13 -3.677 10.470 8.209
83 HB THR 13 HB THR 13 -2.678 12.383 6.477
84 HG1 THR 13 HG1 THR 13 -0.771 13.215 7.492
85 1HG2 THR 13 2HG2 THR 13 -4.048 12.946 8.449
86 2HG2 THR 13 3HG2 THR 13 -2.615 12.743 9.524
87 3HG2 THR 13 1HG2 THR 13 -2.646 14.030 8.288
88 H TRP 14 H TRP 14 -4.783 10.475 6.417
89 HA TRP 14 HA TRP 14 -3.851 8.850 3.970
90 1HB TRP 14 1HB TRP 14 -6.025 8.122 5.140
91 2HB TRP 14 2HB TRP 14 -6.771 9.632 4.652
92 HD1 TRP 14 HD1 TRP 14 -5.261 6.324 3.223
93 HE1 TRP 14 HE1 TRP 14 -6.138 5.800 0.785
94 HE3 TRP 14 HE3 TRP 14 -7.694 10.752 2.539
95 HZ2 TRP 14 HZ2 TRP 14 -7.691 7.305 -1.093
96 HZ3 TRP 14 HZ3 TRP 14 -8.829 11.175 0.383
97 HH2 TRP 14 HH2 TRP 14 -8.828 9.480 -1.403
98 H GLY 15 H GLY 15 -2.881 10.240 2.726
99 1HA GLY 15 1HA GLY 15 -2.539 12.218 1.249
100 2HA GLY 15 2HA GLY 15 -3.955 13.020 1.976
101 H GLY 16 H GLY 16 -0.806 11.649 2.752
102 1HA GLY 16 1HA GLY 16 -0.031 13.605 5.062
103 2HA GLY 16 2HA GLY 16 -0.721 12.096 5.352
104 H THR 17 H THR 17 1.003 11.700 6.457
105 HA THR 17 HA THR 17 3.360 10.409 5.003
106 HB THR 17 HB THR 17 2.904 9.631 7.938
107 HG1 THR 17 HG1 THR 17 4.047 12.091 6.994
108 1HG2 THR 17 3HG2 THR 17 5.433 10.213 6.258
109 2HG2 THR 17 1HG2 THR 17 5.402 9.749 7.977
110 3HG2 THR 17 2HG2 THR 17 4.808 8.630 6.755
111 H LYS 18 H LYS 18 3.457 8.305 4.683
112 HA LYS 18 HA LYS 18 1.352 6.298 5.691
113 1HB LYS 18 1HB LYS 18 2.542 5.837 2.949
114 2HB LYS 18 2HB LYS 18 1.229 5.061 3.743
115 1HG LYS 18 1HG LYS 18 -0.188 7.177 3.646
116 2HG LYS 18 2HG LYS 18 1.031 7.903 2.605
117 1HD LYS 18 1HD LYS 18 0.673 6.119 0.874
118 2HD LYS 18 2HD LYS 18 -0.403 5.253 1.960
119 1HE LYS 18 1HE LYS 18 -1.807 6.394 0.375
120 2HE LYS 18 2HE LYS 18 -2.051 7.170 1.936
121 1HZ LYS 18 1HZ LYS 18 -0.579 8.954 1.224
122 2HZ LYS 18 2HZ LYS 18 -1.839 8.785 0.198
123 H CYS 19 H CYS 19 2.379 4.228 5.129
124 HA CYS 19 HA CYS 19 4.449 4.241 7.197
125 1HB CYS 19 1HB CYS 19 2.922 1.963 5.936
126 2HB CYS 19 2HB CYS 19 4.493 1.478 6.651
127 H CYS 20 H CYS 20 6.304 3.569 7.233
128 HA CYS 20 HA CYS 20 8.020 4.884 5.801
129 1HB CYS 20 1HB CYS 20 8.267 3.915 8.128
130 2HB CYS 20 2HB CYS 20 9.005 2.455 7.463
131 H ARG 21 H ARG 21 7.931 1.337 5.635
132 HA ARG 21 HA ARG 21 9.957 1.216 3.341
133 1HB ARG 21 1HB ARG 21 10.185 -0.185 5.614
134 2HB ARG 21 2HB ARG 21 8.822 -1.131 5.054
135 1HG ARG 21 1HG ARG 21 10.869 -2.333 4.663
136 2HG ARG 21 2HG ARG 21 10.210 -1.931 3.090
137 1HD ARG 21 1HD ARG 21 11.861 0.004 2.896
138 2HD ARG 21 2HD ARG 21 12.505 -0.395 4.499
139 1HH1 ARG 21 2HH2 ARG 21 14.243 0.276 2.792
140 2HH1 ARG 21 1HH2 ARG 21 15.665 -0.544 1.971
141 1HH2 ARG 21 1HH1 ARG 21 14.185 -3.659 2.045
142 2HH2 ARG 21 2HH1 ARG 21 15.632 -2.633 1.576
143 H GLY 22 H GLY 22 7.415 2.015 3.030
144 1HA GLY 22 1HA GLY 22 6.093 2.162 0.894
145 2HA GLY 22 2HA GLY 22 6.859 0.698 0.352
146 H ARG 23 H ARG 23 4.851 1.654 2.936
147 HA ARG 23 HA ARG 23 2.827 -0.607 2.399
148 1HB ARG 23 1HB ARG 23 4.145 0.395 4.939
149 2HB ARG 23 2HB ARG 23 2.535 -0.260 5.105
150 1HG ARG 23 1HG ARG 23 5.079 -1.668 4.150
151 2HG ARG 23 2HG ARG 23 4.269 -1.801 5.708
152 1HD ARG 23 1HD ARG 23 2.164 -2.702 4.406
153 2HD ARG 23 2HD ARG 23 3.209 -2.833 2.985
154 1HH1 ARG 23 2HH2 ARG 23 1.787 -4.815 3.164
155 2HH1 ARG 23 1HH2 ARG 23 2.006 -6.605 3.505
156 1HH2 ARG 23 1HH1 ARG 23 4.733 -6.097 5.556
157 2HH2 ARG 23 2HH1 ARG 23 3.571 -7.283 4.775
158 HA PRO 24 HA PRO 24 -0.047 2.934 2.212
159 1HB PRO 24 1HB PRO 24 -2.476 1.612 1.947
160 2HB PRO 24 2HB PRO 24 -1.237 1.622 0.686
161 1HG PRO 24 1HG PRO 24 -1.760 -0.559 2.779
162 2HG PRO 24 2HG PRO 24 -1.552 -0.769 1.024
163 1HD PRO 24 1HD PRO 24 0.528 -1.155 2.818
164 2HD PRO 24 2HD PRO 24 0.826 -0.514 1.172
165 H CYS 25 H CYS 25 -1.712 3.984 3.263
166 HA CYS 25 HA CYS 25 -2.298 3.117 6.157
167 1HB CYS 25 1HB CYS 25 -1.263 5.716 5.230
168 2HB CYS 25 2HB CYS 25 -2.893 5.920 5.930
169 H ARG 26 H ARG 26 -4.352 3.562 6.899
170 HA ARG 26 HA ARG 26 -6.593 4.289 5.092
171 1HB ARG 26 1HB ARG 26 -6.384 1.821 4.610
172 2HB ARG 26 2HB ARG 26 -6.533 1.452 6.323
173 1HG ARG 26 1HG ARG 26 -8.872 2.325 6.362
174 2HG ARG 26 2HG ARG 26 -8.714 2.920 4.717
175 1HD ARG 26 1HD ARG 26 -10.031 0.870 4.713
176 2HD ARG 26 2HD ARG 26 -8.538 0.618 3.814
177 1HH1 ARG 26 2HH2 ARG 26 -9.873 -1.262 3.642
178 2HH1 ARG 26 1HH2 ARG 26 -9.793 -3.021 4.159
179 1HH2 ARG 26 1HH1 ARG 26 -8.094 -2.317 7.072
180 2HH2 ARG 26 2HH1 ARG 26 -8.853 -3.576 5.973
181 H CYS 27 H CYS 27 -7.964 5.416 6.367
182 HA CYS 27 HA CYS 27 -6.965 6.016 8.968
183 1HB CYS 27 1HB CYS 27 -9.618 6.965 7.748
184 2HB CYS 27 2HB CYS 27 -8.881 7.715 9.106
185 H SER 28 H SER 28 -8.511 6.463 10.803
186 HA SER 28 HA SER 28 -9.786 4.243 12.200
187 1HB SER 28 1HB SER 28 -10.086 7.348 12.395
188 2HB SER 28 2HB SER 28 -10.754 6.270 13.602
189 HG SER 28 HG SER 28 -8.040 6.387 12.855
190 H MET 29 H MET 29 -12.061 4.542 13.084
191 HA MET 29 HA MET 29 -14.024 3.797 10.955
192 1HB MET 29 1HB MET 29 -14.344 4.352 13.997
193 2HB MET 29 2HB MET 29 -15.668 3.845 12.967
194 1HG MET 29 1HG MET 29 -14.497 1.704 12.400
195 2HG MET 29 2HG MET 29 -13.141 2.147 13.449
196 1HE MET 29 3HE MET 29 -13.078 1.689 15.992
197 2HE MET 29 2HE MET 29 -13.981 3.228 16.148
198 3HE MET 29 1HE MET 29 -14.518 1.781 17.049
199 H ILE 30 H ILE 30 -13.554 6.647 12.987
200 HA ILE 30 HA ILE 30 -15.750 8.265 11.611
201 HB ILE 30 HB ILE 30 -14.726 10.273 12.929
202 1HG1 ILE 30 1HG1 ILE 30 -13.086 8.130 14.448
203 2HG1 ILE 30 2HG1 ILE 30 -12.393 9.233 13.275
204 1HG2 ILE 30 1HG2 ILE 30 -16.732 8.883 13.710
205 2HG2 ILE 30 2HG2 ILE 30 -15.636 7.810 14.615
206 3HG2 ILE 30 3HG2 ILE 30 -15.804 9.522 15.070
207 1HD1 ILE 30 2HD1 ILE 30 -13.100 11.222 14.665
208 2HD1 ILE 30 3HD1 ILE 30 -13.710 10.103 15.914
209 3HD1 ILE 30 1HD1 ILE 30 -11.982 10.121 15.503
210 H GLY 31 H GLY 31 -12.197 7.996 11.459
211 1HA GLY 31 2HA GLY 31 -10.851 8.329 9.491
212 2HA GLY 31 1HA GLY 31 -12.133 9.119 8.643
213 H THR 32 H THR 32 -10.180 9.537 11.535
214 HA THR 32 HA THR 32 -9.451 12.388 10.905
215 HB THR 32 HB THR 32 -10.803 11.457 13.514
216 HG1 THR 32 HG1 THR 32 -11.904 13.025 11.403
217 1HG2 THR 32 1HG2 THR 32 -10.309 14.372 12.508
218 2HG2 THR 32 2HG2 THR 32 -11.225 13.948 13.976
219 3HG2 THR 32 3HG2 THR 32 -9.489 13.603 13.892
220 H ASN 33 H ASN 33 -8.974 9.861 12.570
221 HA ASN 33 HA ASN 33 -6.164 10.556 13.668
222 1HB ASN 33 1HB ASN 33 -8.117 10.151 15.527
223 2HB ASN 33 2HB ASN 33 -7.950 8.479 15.129
224 1HD2 ASN 33 1HD2 ASN 33 -4.997 10.281 17.375
225 2HD2 ASN 33 2HD2 ASN 33 -6.272 11.266 16.496
226 H CYS 34 H CYS 34 -6.575 9.677 11.302
227 HA CYS 34 HA CYS 34 -6.758 7.091 10.485
228 1HB CYS 34 1HB CYS 34 -4.474 8.774 9.332
229 2HB CYS 34 2HB CYS 34 -5.262 7.456 8.498
230 H GLU 35 H GLU 35 -5.332 5.248 9.929
231 HA GLU 35 HA GLU 35 -2.641 5.174 11.433
232 1HB GLU 35 1HB GLU 35 -4.140 2.584 11.804
233 2HB GLU 35 2HB GLU 35 -3.051 3.435 12.812
234 1HG GLU 35 1HG GLU 35 -4.872 3.520 14.157
235 2HG GLU 35 2HG GLU 35 -5.004 5.096 13.406
236 HE2 GLU 35 HE2 GLU 35 -8.266 3.459 13.545
237 H CYS 36 H CYS 36 -1.636 2.927 11.059
238 HA CYS 36 HA CYS 36 -1.294 2.661 8.031
239 1HB CYS 36 1HB CYS 36 0.532 2.111 10.433
240 2HB CYS 36 2HB CYS 36 0.792 1.065 9.124
241 H THR 37 H THR 37 -1.163 0.619 7.040
242 HA THR 37 HA THR 37 -2.561 -1.728 8.395
243 HB THR 37 HB THR 37 -3.968 -2.094 6.288
244 HG1 THR 37 HG1 THR 37 -3.328 0.662 5.915
245 1HG2 THR 37 2HG2 THR 37 -4.960 -1.147 8.447
246 2HG2 THR 37 3HG2 THR 37 -4.676 0.504 7.831
247 3HG2 THR 37 1HG2 THR 37 -5.799 -0.593 6.987
248 HA PRO 38 HA PRO 38 0.637 -3.768 5.627
249 1HB PRO 38 1HB PRO 38 0.261 -6.369 6.475
250 2HB PRO 38 2HB PRO 38 1.100 -5.156 7.445
251 1HG PRO 38 1HG PRO 38 -1.800 -6.090 7.694
252 2HG PRO 38 2HG PRO 38 -0.612 -5.852 8.998
253 1HD PRO 38 1HD PRO 38 -2.536 -3.936 8.343
254 2HD PRO 38 2HD PRO 38 -0.968 -3.487 9.004
255 H ARG 39 H ARG 39 -0.495 -3.089 3.823
256 HA ARG 39 HA ARG 39 -1.692 -3.194 1.800
257 1HB ARG 39 1HB ARG 39 -0.720 -5.610 1.671
258 2HB ARG 39 2HB ARG 39 -2.217 -6.208 2.373
259 1HG ARG 39 1HG ARG 39 -3.483 -5.100 0.391
260 2HG ARG 39 2HG ARG 39 -1.924 -4.648 -0.272
261 1HD ARG 39 1HD ARG 39 -2.603 -6.631 -1.447
262 2HD ARG 39 2HD ARG 39 -1.273 -7.100 -0.411
263 1HH1 ARG 39 2HH2 ARG 39 -4.754 -6.437 -1.175
264 2HH1 ARG 39 1HH2 ARG 39 -6.221 -7.476 -0.805
265 1HH2 ARG 39 1HH1 ARG 39 -4.447 -9.671 1.168
266 2HH2 ARG 39 2HH1 ARG 39 -6.056 -9.183 0.433
267 H LEU 40 H LEU 40 -3.518 -2.077 1.905
268 HA LEU 40 HA LEU 40 -5.772 -2.705 3.796
269 1HB LEU 40 1HB LEU 40 -6.733 -0.702 3.149
270 2HB LEU 40 2HB LEU 40 -5.038 -0.340 3.180
271 HG LEU 40 HG LEU 40 -6.821 -0.667 0.687
272 1HD1 LEU 40 3HD1 LEU 40 -7.233 1.424 1.991
273 2HD1 LEU 40 1HD1 LEU 40 -5.508 1.849 1.906
274 3HD1 LEU 40 2HD1 LEU 40 -6.496 1.798 0.424
275 1HD2 LEU 40 2HD2 LEU 40 -3.840 0.134 0.710
276 2HD2 LEU 40 3HD2 LEU 40 -4.500 -1.370 0.032
277 3HD2 LEU 40 1HD2 LEU 40 -4.918 0.184 -0.702
278 H ILE 41 H ILE 41 -7.462 -3.921 3.372
279 HA ILE 41 HA ILE 41 -7.510 -5.523 0.838
280 HB ILE 41 HB ILE 41 -9.422 -6.831 1.999
281 1HG1 ILE 41 1HG1 ILE 41 -8.750 -5.148 4.508
282 2HG1 ILE 41 2HG1 ILE 41 -10.198 -4.917 3.547
283 1HG2 ILE 41 1HG2 ILE 41 -6.945 -7.455 2.108
284 2HG2 ILE 41 2HG2 ILE 41 -6.763 -6.503 3.600
285 3HG2 ILE 41 3HG2 ILE 41 -7.801 -7.947 3.571
286 1HD1 ILE 41 2HD1 ILE 41 -10.932 -7.295 4.011
287 2HD1 ILE 41 3HD1 ILE 41 -9.521 -7.492 5.085
288 3HD1 ILE 41 1HD1 ILE 41 -10.771 -6.290 5.471
289 H MET 42 H MET 42 -8.820 -5.329 -0.793
290 HA MET 42 HA MET 42 -10.824 -3.058 -0.963
291 1HB MET 42 1HB MET 42 -10.910 -3.571 -3.364
292 2HB MET 42 2HB MET 42 -9.288 -3.252 -2.820
293 1HG MET 42 1HG MET 42 -10.343 -6.079 -3.487
294 2HG MET 42 2HG MET 42 -9.440 -5.029 -4.579
295 1HE MET 42 2HE MET 42 -7.744 -7.158 -4.860
296 2HE MET 42 1HE MET 42 -6.842 -7.863 -3.486
297 3HE MET 42 3HE MET 42 -8.614 -8.081 -3.594
298 H GLU 43 H GLU 43 -12.803 -3.396 -0.377
299 HA GLU 43 HA GLU 43 -14.098 -6.190 -0.531
300 1HB GLU 43 1HB GLU 43 -14.537 -4.004 1.600
301 2HB GLU 43 2HB GLU 43 -15.387 -5.528 1.525
302 1HG GLU 43 1HG GLU 43 -12.372 -5.198 2.074
303 2HG GLU 43 2HG GLU 43 -13.617 -5.536 3.257
304 HE2 GLU 43 HE2 GLU 43 -11.925 -8.473 1.177
305 H GLY 44 H GLY 44 -16.030 -6.326 -1.339
306 1HA GLY 44 1HA GLY 44 -18.109 -4.316 -1.639
307 2HA GLY 44 2HA GLY 44 -17.153 -4.255 -3.127
308 H LEU 45 H LEU 45 -17.120 -6.083 -4.475
309 HA LEU 45 HA LEU 45 -19.186 -8.305 -3.972
310 1HB LEU 45 1HB LEU 45 -19.336 -7.070 -6.157
311 2HB LEU 45 2HB LEU 45 -17.676 -7.489 -6.534
312 HG LEU 45 HG LEU 45 -18.305 -9.937 -6.609
313 1HD1 LEU 45 3HD1 LEU 45 -21.202 -8.951 -6.166
314 2HD1 LEU 45 1HD1 LEU 45 -20.755 -10.580 -6.732
315 3HD1 LEU 45 2HD1 LEU 45 -20.267 -10.050 -5.118
316 1HD2 LEU 45 3HD2 LEU 45 -18.264 -8.566 -8.694
317 2HD2 LEU 45 1HD2 LEU 45 -19.516 -9.819 -8.783
318 3HD2 LEU 45 2HD2 LEU 45 -19.976 -8.127 -8.468
319 H SER 46 H SER 46 -17.998 -9.333 -2.407
320 HA SER 46 HA SER 46 -15.693 -11.083 -3.437
321 1HB SER 46 1HB SER 46 -14.748 -9.229 -1.963
322 2HB SER 46 2HB SER 46 -15.779 -9.763 -0.630
323 HG SER 46 HG SER 46 -13.841 -11.316 -2.012
324 H PHE 47 H PHE 47 -17.794 -12.193 -3.867
325 HA PHE 47 HA PHE 47 -18.278 -14.384 -1.930
326 1HB PHE 47 1HB PHE 47 -20.728 -13.969 -1.554
327 2HB PHE 47 2HB PHE 47 -19.707 -12.853 -0.736
328 HD1 PHE 47 HD1 PHE 47 -19.700 -10.405 -1.329
329 HD2 PHE 47 HD2 PHE 47 -22.344 -13.169 -3.304
330 HE1 PHE 47 HE1 PHE 47 -21.099 -8.535 -2.095
331 HE2 PHE 47 HE2 PHE 47 -23.725 -11.283 -4.068
332 HZ PHE 47 HZ PHE 47 -23.111 -8.966 -3.464
333 H ALA 48 H ALA 48 -19.659 -12.671 -4.754
334 HA ALA 48 HA ALA 48 -20.075 -15.391 -6.165
335 1HB ALA 48 1HB ALA 48 -21.761 -12.813 -6.503
336 2HB ALA 48 2HB ALA 48 -21.959 -14.324 -7.422
337 3HB ALA 48 3HB ALA 48 -22.271 -14.304 -5.677
338 HXT ALA 48 HO ALA 48 -17.770 -14.416 -8.457
No H/Q in entry = 338
Start of MODEL 20
Raw file had 348 H/Q atoms
Start of MODEL 20
1 1H GLU 1 1H GLU 1 9.861 7.458 14.596
2 2H GLU 1 2H GLU 1 9.175 8.043 15.981
3 3H GLU 1 3H GLU 1 8.488 6.762 15.196
4 HA GLU 1 HA GLU 1 7.947 8.130 13.263
5 1HB GLU 1 1HB GLU 1 6.968 9.195 16.008
6 2HB GLU 1 2HB GLU 1 6.288 9.740 14.494
7 1HG GLU 1 1HG GLU 1 6.228 6.798 15.429
8 2HG GLU 1 2HG GLU 1 4.940 7.959 15.672
9 HE1 GLU 1 HE2 GLU 1 5.561 6.250 12.075
10 H ASP 2 H ASP 2 9.080 9.480 12.115
11 HA ASP 2 HA ASP 2 9.756 12.260 13.106
12 1HB ASP 2 1HB ASP 2 12.119 12.171 12.352
13 2HB ASP 2 2HB ASP 2 11.826 11.102 13.687
14 HD2 ASP 2 HD2 ASP 2 12.890 11.434 10.615
15 H ASN 3 H ASN 3 10.276 10.112 10.286
16 HA ASN 3 HA ASN 3 8.735 12.071 8.537
17 1HB ASN 3 1HB ASN 3 11.529 10.885 7.938
18 2HB ASN 3 2HB ASN 3 10.632 11.758 6.720
19 1HD2 ASN 3 1HD2 ASN 3 11.422 15.040 8.023
20 2HD2 ASN 3 2HD2 ASN 3 10.200 14.071 7.055
21 H CYS 4 H CYS 4 8.682 9.251 9.452
22 HA CYS 4 HA CYS 4 7.084 8.179 7.092
23 1HB CYS 4 1HB CYS 4 7.961 6.093 7.107
24 2HB CYS 4 2HB CYS 4 9.111 7.082 6.365
25 H ILE 5 H ILE 5 6.019 6.039 7.631
26 HA ILE 5 HA ILE 5 5.185 6.031 10.645
27 HB ILE 5 HB ILE 5 3.236 4.580 8.733
28 1HG1 ILE 5 1HG1 ILE 5 3.263 6.916 7.814
29 2HG1 ILE 5 2HG1 ILE 5 1.826 6.500 8.597
30 1HG2 ILE 5 3HG2 ILE 5 3.053 5.721 11.568
31 2HG2 ILE 5 1HG2 ILE 5 1.708 5.042 10.628
32 3HG2 ILE 5 2HG2 ILE 5 3.088 4.023 11.066
33 1HD1 ILE 5 2HD1 ILE 5 3.064 7.702 10.706
34 2HD1 ILE 5 3HD1 ILE 5 3.989 8.408 9.373
35 3HD1 ILE 5 1HD1 ILE 5 2.198 8.589 9.421
36 H ALA 6 H ALA 6 6.726 4.609 11.282
37 HA ALA 6 HA ALA 6 7.514 2.253 9.549
38 1HB ALA 6 2HB ALA 6 9.262 3.616 10.833
39 2HB ALA 6 3HB ALA 6 8.522 3.135 12.385
40 3HB ALA 6 1HB ALA 6 9.305 1.920 11.345
41 H GLU 7 H GLU 7 5.014 2.558 11.188
42 HA GLU 7 HA GLU 7 4.854 -0.067 12.745
43 1HB GLU 7 1HB GLU 7 3.154 2.481 12.861
44 2HB GLU 7 2HB GLU 7 2.828 1.061 13.810
45 1HG GLU 7 1HG GLU 7 3.946 2.124 15.437
46 2HG GLU 7 2HG GLU 7 5.349 1.361 14.717
47 HE1 GLU 7 HE2 GLU 7 4.605 5.354 14.366
48 H ASP 8 H ASP 8 2.999 -1.176 12.973
49 HA ASP 8 HA ASP 8 1.129 -1.275 10.540
50 1HB ASP 8 1HB ASP 8 1.301 -3.602 12.454
51 2HB ASP 8 2HB ASP 8 0.563 -3.541 10.872
52 HD2 ASP 8 HD2 ASP 8 2.761 -5.015 12.205
53 H TYR 9 H TYR 9 -0.583 -0.636 11.130
54 HA TYR 9 HA TYR 9 -2.291 0.790 12.219
55 1HB TYR 9 1HB TYR 9 -1.894 -1.253 14.538
56 2HB TYR 9 2HB TYR 9 -3.218 -0.128 14.387
57 HD1 TYR 9 HD1 TYR 9 -4.736 -0.248 12.220
58 HD2 TYR 9 HD2 TYR 9 -2.022 -3.398 13.334
59 HE1 TYR 9 HE1 TYR 9 -5.789 -1.749 10.583
60 HE2 TYR 9 HE2 TYR 9 -3.088 -4.886 11.699
61 HH TYR 9 HH TYR 9 -5.779 -3.758 9.650
62 H GLY 10 H GLY 10 0.196 1.780 12.148
63 1HA GLY 10 1HA GLY 10 1.155 3.300 14.527
64 2HA GLY 10 2HA GLY 10 1.393 3.677 12.879
65 H LYS 11 H LYS 11 1.211 5.750 13.914
66 HA LYS 11 HA LYS 11 -1.654 6.857 13.507
67 1HB LYS 11 1HB LYS 11 -0.710 9.127 14.256
68 2HB LYS 11 2HB LYS 11 -1.095 7.926 15.418
69 1HG LYS 11 1HG LYS 11 1.417 7.441 15.730
70 2HG LYS 11 2HG LYS 11 1.775 8.594 14.445
71 1HD LYS 11 1HD LYS 11 0.671 10.444 15.865
72 2HD LYS 11 2HD LYS 11 0.421 9.254 17.133
73 1HE LYS 11 1HE LYS 11 2.385 10.462 17.771
74 2HE LYS 11 2HE LYS 11 2.968 8.884 17.248
75 1HZ LYS 11 1HZ LYS 11 2.967 11.358 15.593
76 2HZ LYS 11 2HZ LYS 11 3.518 9.903 15.090
77 H CYS 12 H CYS 12 -1.940 7.935 11.794
78 HA CYS 12 HA CYS 12 0.255 9.011 9.934
79 1HB CYS 12 1HB CYS 12 -0.046 7.602 8.100
80 2HB CYS 12 2HB CYS 12 -0.068 6.474 9.422
81 H THR 13 H THR 13 -0.834 9.521 7.769
82 HA THR 13 HA THR 13 -3.608 10.776 8.107
83 HB THR 13 HB THR 13 -2.417 12.893 6.770
84 HG1 THR 13 HG1 THR 13 -0.494 12.013 8.706
85 1HG2 THR 13 2HG2 THR 13 -3.765 13.200 8.822
86 2HG2 THR 13 3HG2 THR 13 -2.354 12.714 9.836
87 3HG2 THR 13 1HG2 THR 13 -2.286 14.191 8.837
88 H TRP 14 H TRP 14 -4.606 11.184 6.294
89 HA TRP 14 HA TRP 14 -3.652 9.963 3.627
90 1HB TRP 14 1HB TRP 14 -6.495 10.754 4.506
91 2HB TRP 14 2HB TRP 14 -6.047 10.394 2.852
92 HD1 TRP 14 HD1 TRP 14 -4.196 7.676 4.932
93 HE1 TRP 14 HE1 TRP 14 -5.619 5.517 5.048
94 HE3 TRP 14 HE3 TRP 14 -8.614 9.666 3.128
95 HZ2 TRP 14 HZ2 TRP 14 -8.342 4.863 4.484
96 HZ3 TRP 14 HZ3 TRP 14 -10.588 8.188 2.977
97 HH2 TRP 14 HH2 TRP 14 -10.451 5.821 3.644
98 H GLY 15 H GLY 15 -2.668 11.447 2.506
99 1HA GLY 15 1HA GLY 15 -2.058 13.629 1.503
100 2HA GLY 15 2HA GLY 15 -3.427 14.407 2.338
101 H GLY 16 H GLY 16 -0.484 12.573 2.958
102 1HA GLY 16 1HA GLY 16 0.365 14.024 5.588
103 2HA GLY 16 2HA GLY 16 -0.444 12.539 5.579
104 H THR 17 H THR 17 1.259 11.883 6.648
105 HA THR 17 HA THR 17 3.553 10.683 5.032
106 HB THR 17 HB THR 17 2.979 9.662 7.852
107 HG1 THR 17 HG1 THR 17 4.272 12.131 7.186
108 1HG2 THR 17 3HG2 THR 17 5.609 10.275 6.324
109 2HG2 THR 17 1HG2 THR 17 5.491 9.671 7.994
110 3HG2 THR 17 2HG2 THR 17 4.902 8.685 6.664
111 H LYS 18 H LYS 18 3.641 8.690 4.469
112 HA LYS 18 HA LYS 18 1.386 6.611 4.876
113 1HB LYS 18 1HB LYS 18 3.353 6.234 2.639
114 2HB LYS 18 2HB LYS 18 1.824 5.522 2.874
115 1HG LYS 18 1HG LYS 18 2.064 8.459 1.978
116 2HG LYS 18 2HG LYS 18 2.013 7.081 0.911
117 1HD LYS 18 1HD LYS 18 -0.208 7.726 0.853
118 2HD LYS 18 2HD LYS 18 -0.242 6.385 1.969
119 1HE LYS 18 1HE LYS 18 -1.694 8.096 2.860
120 2HE LYS 18 2HE LYS 18 -0.297 8.056 3.925
121 1HZ LYS 18 1HZ LYS 18 -0.727 9.996 1.711
122 2HZ LYS 18 2HZ LYS 18 0.592 9.975 2.676
123 H CYS 19 H CYS 19 2.452 4.521 4.543
124 HA CYS 19 HA CYS 19 4.114 4.328 7.033
125 1HB CYS 19 1HB CYS 19 2.800 2.168 5.311
126 2HB CYS 19 2HB CYS 19 3.812 1.755 6.749
127 H CYS 20 H CYS 20 6.009 3.634 7.257
128 HA CYS 20 HA CYS 20 7.920 4.741 5.869
129 1HB CYS 20 1HB CYS 20 7.976 3.824 8.240
130 2HB CYS 20 2HB CYS 20 8.647 2.304 7.642
131 H ARG 21 H ARG 21 7.563 1.205 5.788
132 HA ARG 21 HA ARG 21 9.945 0.855 3.907
133 1HB ARG 21 1HB ARG 21 9.918 -1.513 4.648
134 2HB ARG 21 2HB ARG 21 9.827 -0.488 6.051
135 1HG ARG 21 1HG ARG 21 7.260 -0.946 6.121
136 2HG ARG 21 2HG ARG 21 7.496 -2.052 4.779
137 1HD ARG 21 1HD ARG 21 7.389 -3.400 6.760
138 2HD ARG 21 2HD ARG 21 9.047 -3.468 6.183
139 1HH1 ARG 21 2HH2 ARG 21 6.327 -2.093 8.239
140 2HH1 ARG 21 1HH2 ARG 21 6.461 -1.486 9.965
141 1HH2 ARG 21 1HH1 ARG 21 9.909 -1.669 9.981
142 2HH2 ARG 21 2HH1 ARG 21 8.368 -1.262 10.890
143 H GLY 22 H GLY 22 7.559 1.774 3.084
144 1HA GLY 22 1HA GLY 22 6.493 1.891 0.765
145 2HA GLY 22 2HA GLY 22 7.216 0.352 0.386
146 H ARG 23 H ARG 23 5.048 1.688 2.645
147 HA ARG 23 HA ARG 23 3.043 -0.639 2.359
148 1HB ARG 23 1HB ARG 23 4.215 0.722 4.817
149 2HB ARG 23 2HB ARG 23 2.688 -0.160 4.948
150 1HG ARG 23 1HG ARG 23 5.459 -1.214 4.259
151 2HG ARG 23 2HG ARG 23 4.634 -1.292 5.814
152 1HD ARG 23 1HD ARG 23 2.796 -2.741 4.739
153 2HD ARG 23 2HD ARG 23 3.747 -2.767 3.239
154 1HH1 ARG 23 2HH2 ARG 23 2.490 -4.936 4.363
155 2HH1 ARG 23 1HH2 ARG 23 3.084 -6.576 4.935
156 1HH2 ARG 23 1HH1 ARG 23 6.214 -5.387 5.763
157 2HH2 ARG 23 2HH1 ARG 23 5.062 -6.813 5.677
158 HA PRO 24 HA PRO 24 -0.070 2.771 2.156
159 1HB PRO 24 1HB PRO 24 -2.412 1.270 2.279
160 2HB PRO 24 2HB PRO 24 -1.349 1.306 0.868
161 1HG PRO 24 1HG PRO 24 -1.488 -0.827 3.047
162 2HG PRO 24 2HG PRO 24 -1.401 -1.062 1.291
163 1HD PRO 24 1HD PRO 24 0.815 -1.213 3.000
164 2HD PRO 24 2HD PRO 24 0.954 -0.742 1.279
165 H CYS 25 H CYS 25 -1.597 3.794 3.340
166 HA CYS 25 HA CYS 25 -1.880 3.129 6.330
167 1HB CYS 25 1HB CYS 25 -0.695 4.996 6.671
168 2HB CYS 25 2HB CYS 25 -0.934 5.636 5.027
169 H ARG 26 H ARG 26 -3.909 3.252 7.095
170 HA ARG 26 HA ARG 26 -6.268 3.902 5.322
171 1HB ARG 26 1HB ARG 26 -5.725 1.120 6.501
172 2HB ARG 26 2HB ARG 26 -7.361 1.698 6.367
173 1HG ARG 26 1HG ARG 26 -5.469 1.511 3.946
174 2HG ARG 26 2HG ARG 26 -6.595 0.254 4.451
175 1HD ARG 26 1HD ARG 26 -8.536 1.895 4.190
176 2HD ARG 26 2HD ARG 26 -7.392 3.097 3.572
177 1HH1 ARG 26 2HH2 ARG 26 -9.637 3.105 2.635
178 2HH1 ARG 26 1HH2 ARG 26 -10.319 2.894 0.945
179 1HH2 ARG 26 1HH1 ARG 26 -7.906 0.628 0.005
180 2HH2 ARG 26 2HH1 ARG 26 -9.405 1.589 -0.438
181 H CYS 27 H CYS 27 -7.709 4.965 6.552
182 HA CYS 27 HA CYS 27 -6.735 5.850 9.062
183 1HB CYS 27 1HB CYS 27 -9.575 6.366 7.966
184 2HB CYS 27 2HB CYS 27 -8.803 7.305 9.207
185 H SER 28 H SER 28 -8.027 6.106 11.036
186 HA SER 28 HA SER 28 -9.187 3.663 12.323
187 1HB SER 28 1HB SER 28 -7.793 5.771 13.321
188 2HB SER 28 2HB SER 28 -9.377 6.560 13.346
189 HG SER 28 HG SER 28 -8.690 4.068 14.514
190 H MET 29 H MET 29 -11.083 4.669 13.723
191 HA MET 29 HA MET 29 -13.606 4.139 12.158
192 1HB MET 29 1HB MET 29 -13.051 4.984 15.103
193 2HB MET 29 2HB MET 29 -14.667 4.871 14.470
194 1HG MET 29 1HG MET 29 -14.249 2.802 15.605
195 2HG MET 29 2HG MET 29 -14.289 2.417 13.877
196 1HE MET 29 3HE MET 29 -13.031 0.095 14.273
197 2HE MET 29 2HE MET 29 -11.521 -0.068 15.217
198 3HE MET 29 1HE MET 29 -13.036 0.415 16.037
199 H ILE 30 H ILE 30 -12.051 7.040 13.372
200 HA ILE 30 HA ILE 30 -14.380 8.894 12.851
201 HB ILE 30 HB ILE 30 -11.391 9.552 13.455
202 1HG1 ILE 30 1HG1 ILE 30 -13.800 9.673 15.415
203 2HG1 ILE 30 2HG1 ILE 30 -12.726 8.295 15.335
204 1HG2 ILE 30 2HG2 ILE 30 -12.620 11.496 12.353
205 2HG2 ILE 30 3HG2 ILE 30 -13.913 11.388 13.567
206 3HG2 ILE 30 1HG2 ILE 30 -12.262 11.871 14.032
207 1HD1 ILE 30 1HD1 ILE 30 -10.736 9.724 15.931
208 2HD1 ILE 30 2HD1 ILE 30 -11.827 11.119 16.145
209 3HD1 ILE 30 3HD1 ILE 30 -12.001 9.689 17.182
210 H GLY 31 H GLY 31 -11.225 8.311 11.305
211 1HA GLY 31 1HA GLY 31 -10.665 8.552 8.890
212 2HA GLY 31 2HA GLY 31 -12.210 9.293 8.592
213 H THR 32 H THR 32 -9.633 10.123 10.863
214 HA THR 32 HA THR 32 -8.867 12.680 9.558
215 HB THR 32 HB THR 32 -10.254 12.630 12.315
216 HG1 THR 32 HG1 THR 32 -11.923 13.800 11.265
217 1HG2 THR 32 2HG2 THR 32 -9.445 15.107 10.596
218 2HG2 THR 32 3HG2 THR 32 -10.387 15.185 12.105
219 3HG2 THR 32 1HG2 THR 32 -8.703 14.638 12.148
220 H ASN 33 H ASN 33 -8.605 10.689 11.854
221 HA ASN 33 HA ASN 33 -5.689 11.264 12.738
222 1HB ASN 33 1HB ASN 33 -7.865 10.110 14.620
223 2HB ASN 33 2HB ASN 33 -6.164 10.059 14.981
224 1HD2 ASN 33 1HD2 ASN 33 -6.017 13.533 15.981
225 2HD2 ASN 33 2HD2 ASN 33 -5.060 12.047 15.486
226 H CYS 34 H CYS 34 -6.213 10.025 10.639
227 HA CYS 34 HA CYS 34 -6.682 7.290 10.323
228 1HB CYS 34 1HB CYS 34 -4.474 8.790 8.827
229 2HB CYS 34 2HB CYS 34 -5.221 7.321 8.259
230 H GLU 35 H GLU 35 -5.165 5.458 9.740
231 HA GLU 35 HA GLU 35 -2.680 5.375 11.559
232 1HB GLU 35 1HB GLU 35 -4.480 2.893 11.277
233 2HB GLU 35 2HB GLU 35 -3.249 3.120 12.404
234 1HG GLU 35 1HG GLU 35 -4.462 4.807 13.739
235 2HG GLU 35 2HG GLU 35 -5.830 4.746 12.634
236 HE1 GLU 35 HE2 GLU 35 -5.085 1.675 15.189
237 H CYS 36 H CYS 36 -1.697 3.109 11.230
238 HA CYS 36 HA CYS 36 -0.838 2.876 8.267
239 1HB CYS 36 1HB CYS 36 1.121 2.694 10.132
240 2HB CYS 36 2HB CYS 36 0.419 1.108 10.483
241 H THR 37 H THR 37 -0.841 0.716 7.317
242 HA THR 37 HA THR 37 -2.317 -1.517 8.716
243 HB THR 37 HB THR 37 -4.147 -0.447 7.585
244 HG1 THR 37 HG1 THR 37 -3.307 -2.787 6.254
245 1HG2 THR 37 3HG2 THR 37 -2.677 -0.971 4.876
246 2HG2 THR 37 1HG2 THR 37 -4.346 -0.414 5.027
247 3HG2 THR 37 2HG2 THR 37 -3.021 0.652 5.534
248 HA PRO 38 HA PRO 38 1.136 -3.557 6.473
249 1HB PRO 38 1HB PRO 38 0.844 -6.107 7.456
250 2HB PRO 38 2HB PRO 38 1.265 -4.741 8.487
251 1HG PRO 38 1HG PRO 38 -1.488 -6.014 8.116
252 2HG PRO 38 2HG PRO 38 -0.682 -5.579 9.642
253 1HD PRO 38 1HD PRO 38 -2.569 -3.928 8.365
254 2HD PRO 38 2HD PRO 38 -1.313 -3.268 9.405
255 H ARG 39 H ARG 39 -0.063 -2.955 4.487
256 HA ARG 39 HA ARG 39 -1.098 -3.335 2.358
257 1HB ARG 39 1HB ARG 39 0.456 -5.998 2.776
258 2HB ARG 39 2HB ARG 39 -0.359 -5.592 1.277
259 1HG ARG 39 1HG ARG 39 1.029 -3.553 0.952
260 2HG ARG 39 2HG ARG 39 1.806 -3.803 2.502
261 1HD ARG 39 1HD ARG 39 3.349 -4.546 0.842
262 2HD ARG 39 2HD ARG 39 2.823 -5.970 1.706
263 1HH1 ARG 39 2HH2 ARG 39 1.938 -7.693 1.345
264 2HH1 ARG 39 1HH2 ARG 39 1.417 -8.925 0.089
265 1HH2 ARG 39 1HH1 ARG 39 1.479 -6.652 -2.495
266 2HH2 ARG 39 2HH1 ARG 39 1.176 -8.373 -1.936
267 H LEU 40 H LEU 40 -3.089 -3.236 3.623
268 HA LEU 40 HA LEU 40 -4.944 -5.510 2.953
269 1HB LEU 40 1HB LEU 40 -3.990 -6.177 5.210
270 2HB LEU 40 2HB LEU 40 -4.472 -4.641 5.885
271 HG LEU 40 HG LEU 40 -6.919 -5.254 5.439
272 1HD1 LEU 40 3HD1 LEU 40 -5.774 -8.049 4.759
273 2HD1 LEU 40 1HD1 LEU 40 -7.494 -7.669 5.030
274 3HD1 LEU 40 2HD1 LEU 40 -6.647 -6.973 3.639
275 1HD2 LEU 40 2HD2 LEU 40 -5.887 -5.525 7.692
276 2HD2 LEU 40 3HD2 LEU 40 -7.081 -6.800 7.388
277 3HD2 LEU 40 1HD2 LEU 40 -5.341 -7.168 7.275
278 H ILE 41 H ILE 41 -6.345 -4.317 1.864
279 HA ILE 41 HA ILE 41 -6.967 -1.446 2.595
280 HB ILE 41 HB ILE 41 -8.477 -1.532 0.474
281 1HG1 ILE 41 1HG1 ILE 41 -7.009 -4.171 -0.186
282 2HG1 ILE 41 2HG1 ILE 41 -8.659 -4.131 0.395
283 1HG2 ILE 41 1HG2 ILE 41 -6.097 -0.593 0.572
284 2HG2 ILE 41 2HG2 ILE 41 -5.443 -2.192 0.146
285 3HG2 ILE 41 3HG2 ILE 41 -6.451 -1.290 -1.010
286 1HD1 ILE 41 3HD1 ILE 41 -9.382 -2.731 -1.573
287 2HD1 ILE 41 1HD1 ILE 41 -7.724 -2.819 -2.226
288 3HD1 ILE 41 2HD1 ILE 41 -8.687 -4.301 -2.043
289 H MET 42 H MET 42 -8.571 -0.896 3.811
290 HA MET 42 HA MET 42 -10.985 -2.749 4.333
291 1HB MET 42 1HB MET 42 -11.433 -1.334 6.328
292 2HB MET 42 2HB MET 42 -9.954 -2.252 6.411
293 1HG MET 42 1HG MET 42 -8.590 -0.200 5.999
294 2HG MET 42 2HG MET 42 -10.050 0.795 5.905
295 1HE MET 42 2HE MET 42 -11.999 0.505 8.059
296 2HE MET 42 1HE MET 42 -11.234 1.150 9.542
297 3HE MET 42 3HE MET 42 -11.000 1.991 7.982
298 H GLU 43 H GLU 43 -12.227 -2.313 2.656
299 HA GLU 43 HA GLU 43 -13.454 0.435 2.322
300 1HB GLU 43 1HB GLU 43 -11.416 0.370 0.842
301 2HB GLU 43 2HB GLU 43 -12.047 -1.020 -0.038
302 1HG GLU 43 1HG GLU 43 -14.002 0.450 -0.809
303 2HG GLU 43 2HG GLU 43 -13.352 1.792 0.124
304 HE2 GLU 43 HE2 GLU 43 -10.892 2.634 -2.134
305 H GLY 44 H GLY 44 -15.423 0.328 1.647
306 1HA GLY 44 1HA GLY 44 -16.875 -2.365 1.572
307 2HA GLY 44 2HA GLY 44 -17.619 -0.805 1.836
308 H LEU 45 H LEU 45 -16.636 -3.084 -0.541
309 HA LEU 45 HA LEU 45 -18.374 -1.753 -2.615
310 1HB LEU 45 1HB LEU 45 -16.796 -1.631 -4.367
311 2HB LEU 45 2HB LEU 45 -16.132 -0.717 -3.050
312 HG LEU 45 HG LEU 45 -15.154 -3.487 -3.996
313 1HD1 LEU 45 3HD1 LEU 45 -14.707 -1.687 -5.649
314 2HD1 LEU 45 1HD1 LEU 45 -13.916 -0.692 -4.403
315 3HD1 LEU 45 2HD1 LEU 45 -13.193 -2.238 -4.912
316 1HD2 LEU 45 1HD2 LEU 45 -13.891 -1.649 -1.855
317 2HD2 LEU 45 2HD2 LEU 45 -14.567 -3.274 -1.588
318 3HD2 LEU 45 3HD2 LEU 45 -13.107 -3.081 -2.564
319 H SER 46 H SER 46 -19.522 -3.257 -3.539
320 HA SER 46 HA SER 46 -18.803 -6.230 -3.332
321 1HB SER 46 1HB SER 46 -21.048 -5.461 -2.483
322 2HB SER 46 2HB SER 46 -21.465 -4.830 -4.080
323 HG SER 46 HG SER 46 -22.244 -6.916 -3.727
324 H PHE 47 H PHE 47 -20.428 -4.299 -5.857
325 HA PHE 47 HA PHE 47 -18.901 -5.826 -8.034
326 1HB PHE 47 1HB PHE 47 -21.441 -5.701 -8.080
327 2HB PHE 47 2HB PHE 47 -21.374 -3.964 -8.204
328 HD1 PHE 47 HD1 PHE 47 -20.570 -7.176 -9.982
329 HD2 PHE 47 HD2 PHE 47 -20.896 -2.903 -10.394
330 HE1 PHE 47 HE1 PHE 47 -20.439 -7.390 -12.430
331 HE2 PHE 47 HE2 PHE 47 -20.751 -3.137 -12.836
332 HZ PHE 47 HZ PHE 47 -20.523 -5.375 -13.860
333 H ALA 48 H ALA 48 -19.946 -2.438 -7.676
334 HA ALA 48 HA ALA 48 -18.982 -0.335 -8.282
335 1HB ALA 48 1HB ALA 48 -17.158 -0.929 -6.618
336 2HB ALA 48 2HB ALA 48 -16.237 -1.771 -7.888
337 3HB ALA 48 3HB ALA 48 -16.508 -0.020 -7.991
338 HXT ALA 48 HO ALA 48 -18.914 -0.693 -11.670
No H/Q in entry = 338
Start of MODEL 21
Raw file had 348 H/Q atoms
Start of MODEL 21
1 1H GLU 1 3H GLU 1 8.292 6.657 13.095
2 2H GLU 1 1H GLU 1 7.679 6.762 14.625
3 3H GLU 1 2H GLU 1 6.840 5.955 13.452
4 HA GLU 1 HA GLU 1 6.472 8.022 12.187
5 1HB GLU 1 1HB GLU 1 4.895 9.073 13.802
6 2HB GLU 1 2HB GLU 1 4.720 7.343 13.686
7 1HG GLU 1 1HG GLU 1 5.926 7.074 15.932
8 2HG GLU 1 2HG GLU 1 6.031 8.823 16.066
9 HE2 GLU 1 HE2 GLU 1 2.629 6.853 16.848
10 H ASP 2 H ASP 2 8.554 8.830 11.744
11 HA ASP 2 HA ASP 2 9.124 11.469 13.153
12 1HB ASP 2 1HB ASP 2 11.314 9.327 12.639
13 2HB ASP 2 2HB ASP 2 11.656 11.020 12.922
14 HD2 ASP 2 HD2 ASP 2 10.708 8.132 14.239
15 H ASN 3 H ASN 3 11.186 9.995 10.679
16 HA ASN 3 HA ASN 3 9.932 11.788 8.536
17 1HB ASN 3 1HB ASN 3 12.597 10.190 8.615
18 2HB ASN 3 2HB ASN 3 12.084 11.098 7.214
19 1HD2 ASN 3 1HD2 ASN 3 14.069 13.190 10.011
20 2HD2 ASN 3 2HD2 ASN 3 13.868 11.367 10.051
21 H CYS 4 H CYS 4 9.371 9.023 9.524
22 HA CYS 4 HA CYS 4 7.772 8.112 7.219
23 1HB CYS 4 1HB CYS 4 8.450 6.009 6.960
24 2HB CYS 4 2HB CYS 4 9.619 6.915 6.200
25 H ILE 5 H ILE 5 6.567 6.061 7.713
26 HA ILE 5 HA ILE 5 5.972 5.957 10.791
27 HB ILE 5 HB ILE 5 3.816 5.285 8.677
28 1HG1 ILE 5 1HG1 ILE 5 4.133 7.748 10.397
29 2HG1 ILE 5 2HG1 ILE 5 4.485 7.687 8.676
30 1HG2 ILE 5 3HG2 ILE 5 3.574 4.011 10.826
31 2HG2 ILE 5 1HG2 ILE 5 3.585 5.538 11.748
32 3HG2 ILE 5 2HG2 ILE 5 2.290 5.154 10.599
33 1HD1 ILE 5 3HD1 ILE 5 1.750 7.144 9.876
34 2HD1 ILE 5 1HD1 ILE 5 2.270 8.663 9.141
35 3HD1 ILE 5 2HD1 ILE 5 2.182 7.187 8.135
36 H ALA 6 H ALA 6 7.342 4.284 11.252
37 HA ALA 6 HA ALA 6 7.683 1.963 9.322
38 1HB ALA 6 2HB ALA 6 9.679 2.896 10.596
39 2HB ALA 6 3HB ALA 6 8.915 2.490 12.159
40 3HB ALA 6 1HB ALA 6 9.435 1.200 11.054
41 H GLU 7 H GLU 7 5.311 2.531 11.054
42 HA GLU 7 HA GLU 7 4.800 -0.026 12.620
43 1HB GLU 7 1HB GLU 7 3.455 2.726 12.560
44 2HB GLU 7 2HB GLU 7 2.960 1.464 13.657
45 1HG GLU 7 1HG GLU 7 5.088 1.506 14.883
46 2HG GLU 7 2HG GLU 7 5.803 2.632 13.735
47 HE1 GLU 7 HE2 GLU 7 3.244 3.914 16.570
48 H ASP 8 H ASP 8 2.975 -0.836 13.042
49 HA ASP 8 HA ASP 8 0.900 -1.171 10.798
50 1HB ASP 8 1HB ASP 8 1.057 -3.145 13.063
51 2HB ASP 8 2HB ASP 8 0.311 -3.293 11.490
52 HD2 ASP 8 HD2 ASP 8 2.441 -4.638 13.073
53 H TYR 9 H TYR 9 -0.800 -0.361 11.441
54 HA TYR 9 HA TYR 9 -2.355 1.235 12.442
55 1HB TYR 9 1HB TYR 9 -1.663 -0.358 15.038
56 2HB TYR 9 2HB TYR 9 -2.961 0.785 14.896
57 HD1 TYR 9 HD2 TYR 9 -4.762 0.409 12.964
58 HD2 TYR 9 HD1 TYR 9 -2.180 -2.679 14.491
59 HE1 TYR 9 HE2 TYR 9 -6.304 -1.306 12.124
60 HE2 TYR 9 HE1 TYR 9 -3.743 -4.382 13.665
61 HH TYR 9 HH TYR 9 -6.715 -3.477 11.918
62 H GLY 10 H GLY 10 0.491 2.031 12.239
63 1HA GLY 10 1HA GLY 10 1.008 4.056 14.421
64 2HA GLY 10 2HA GLY 10 1.855 4.041 12.971
65 H LYS 11 H LYS 11 0.746 6.038 14.141
66 HA LYS 11 HA LYS 11 -1.821 6.905 12.792
67 1HB LYS 11 1HB LYS 11 -1.203 9.319 13.768
68 2HB LYS 11 2HB LYS 11 -1.920 8.059 14.661
69 1HG LYS 11 1HG LYS 11 1.126 8.566 14.767
70 2HG LYS 11 2HG LYS 11 0.019 9.561 15.685
71 1HD LYS 11 1HD LYS 11 0.327 6.514 16.057
72 2HD LYS 11 2HD LYS 11 1.081 7.760 17.036
73 1HE LYS 11 1HE LYS 11 -1.193 8.605 17.773
74 2HE LYS 11 2HE LYS 11 -1.972 7.329 16.826
75 1HZ LYS 11 1HZ LYS 11 -1.704 6.714 19.129
76 2HZ LYS 11 2HZ LYS 11 -0.083 6.912 19.072
77 H CYS 12 H CYS 12 -1.930 7.552 11.044
78 HA CYS 12 HA CYS 12 0.190 9.043 9.377
79 1HB CYS 12 1HB CYS 12 -0.615 7.684 7.334
80 2HB CYS 12 2HB CYS 12 0.129 6.672 8.547
81 H THR 13 H THR 13 -0.875 9.841 7.344
82 HA THR 13 HA THR 13 -3.845 10.506 7.611
83 HB THR 13 HB THR 13 -3.844 12.762 7.674
84 HG1 THR 13 HG1 THR 13 -2.802 12.996 5.685
85 1HG2 THR 13 2HG2 THR 13 -2.220 12.428 9.664
86 2HG2 THR 13 3HG2 THR 13 -0.842 12.646 8.546
87 3HG2 THR 13 1HG2 THR 13 -1.953 13.992 8.855
88 H TRP 14 H TRP 14 -4.757 10.983 5.731
89 HA TRP 14 HA TRP 14 -3.399 10.079 3.118
90 1HB TRP 14 1HB TRP 14 -6.338 10.804 3.705
91 2HB TRP 14 2HB TRP 14 -5.712 10.431 2.113
92 HD1 TRP 14 HD1 TRP 14 -3.767 7.839 3.598
93 HE1 TRP 14 HE1 TRP 14 -4.953 5.515 3.872
94 HE3 TRP 14 HE3 TRP 14 -8.558 9.576 3.151
95 HZ2 TRP 14 HZ2 TRP 14 -7.686 4.694 3.847
96 HZ3 TRP 14 HZ3 TRP 14 -10.421 7.955 3.275
97 HH2 TRP 14 HH2 TRP 14 -9.992 5.554 3.616
98 H GLY 15 H GLY 15 -2.041 11.575 2.707
99 1HA GLY 15 1HA GLY 15 -1.407 13.748 1.580
100 2HA GLY 15 2HA GLY 15 -2.758 14.551 2.383
101 H GLY 16 H GLY 16 0.018 12.521 3.197
102 1HA GLY 16 1HA GLY 16 1.187 14.183 5.484
103 2HA GLY 16 2HA GLY 16 0.157 12.875 5.964
104 H THR 17 H THR 17 2.058 12.231 6.916
105 HA THR 17 HA THR 17 4.076 10.683 5.261
106 HB THR 17 HB THR 17 3.735 9.802 8.189
107 HG1 THR 17 HG1 THR 17 5.056 11.578 8.772
108 1HG2 THR 17 2HG2 THR 17 5.496 8.748 6.742
109 2HG2 THR 17 3HG2 THR 17 6.249 10.321 6.449
110 3HG2 THR 17 1HG2 THR 17 6.197 9.633 8.088
111 H LYS 18 H LYS 18 3.980 8.657 4.844
112 HA LYS 18 HA LYS 18 1.633 6.770 5.546
113 1HB LYS 18 1HB LYS 18 3.222 6.232 3.058
114 2HB LYS 18 2HB LYS 18 1.640 5.724 3.498
115 1HG LYS 18 1HG LYS 18 2.317 8.539 2.477
116 2HG LYS 18 2HG LYS 18 1.605 7.233 1.545
117 1HD LYS 18 1HD LYS 18 -0.463 7.263 2.997
118 2HD LYS 18 2HD LYS 18 0.260 8.494 4.017
119 1HE LYS 18 1HE LYS 18 -1.251 9.662 2.588
120 2HE LYS 18 2HE LYS 18 0.358 10.101 2.038
121 1HZ LYS 18 1HZ LYS 18 0.115 8.499 0.235
122 2HZ LYS 18 2HZ LYS 18 -1.085 9.609 0.203
123 H CYS 19 H CYS 19 2.558 4.596 5.040
124 HA CYS 19 HA CYS 19 4.605 4.350 7.223
125 1HB CYS 19 1HB CYS 19 2.741 2.304 6.017
126 2HB CYS 19 2HB CYS 19 4.228 1.674 6.753
127 H CYS 20 H CYS 20 6.354 3.476 7.184
128 HA CYS 20 HA CYS 20 8.172 4.652 5.784
129 1HB CYS 20 1HB CYS 20 8.377 3.416 7.999
130 2HB CYS 20 2HB CYS 20 8.918 1.975 7.155
131 H ARG 21 H ARG 21 7.554 1.217 5.202
132 HA ARG 21 HA ARG 21 9.555 1.079 2.859
133 1HB ARG 21 1HB ARG 21 8.138 -1.148 4.529
134 2HB ARG 21 2HB ARG 21 8.942 -1.510 3.031
135 1HG ARG 21 1HG ARG 21 10.509 -2.106 4.618
136 2HG ARG 21 2HG ARG 21 11.123 -0.661 3.855
137 1HD ARG 21 1HD ARG 21 11.632 -0.607 6.233
138 2HD ARG 21 2HD ARG 21 10.511 0.706 5.892
139 1HH1 ARG 21 2HH2 ARG 21 11.379 0.191 8.355
140 2HH1 ARG 21 1HH2 ARG 21 10.559 -0.252 9.935
141 1HH2 ARG 21 1HH1 ARG 21 7.975 -1.919 8.368
142 2HH2 ARG 21 2HH1 ARG 21 8.748 -1.375 9.941
143 H GLY 22 H GLY 22 7.209 2.369 2.754
144 1HA GLY 22 1HA GLY 22 5.649 3.046 0.915
145 2HA GLY 22 2HA GLY 22 6.245 1.706 -0.027
146 H ARG 23 H ARG 23 4.661 2.034 2.985
147 HA ARG 23 HA ARG 23 2.694 -0.209 2.335
148 1HB ARG 23 1HB ARG 23 3.967 0.828 4.886
149 2HB ARG 23 2HB ARG 23 2.510 -0.127 5.016
150 1HG ARG 23 1HG ARG 23 5.257 -0.923 3.936
151 2HG ARG 23 2HG ARG 23 4.494 -1.457 5.417
152 1HD ARG 23 1HD ARG 23 3.641 -2.228 2.544
153 2HD ARG 23 2HD ARG 23 4.481 -3.252 3.696
154 1HH1 ARG 23 2HH2 ARG 23 2.564 -4.111 2.001
155 2HH1 ARG 23 1HH2 ARG 23 0.935 -4.926 2.219
156 1HH2 ARG 23 1HH1 ARG 23 0.368 -3.453 5.283
157 2HH2 ARG 23 2HH1 ARG 23 -0.228 -4.575 3.959
158 HA PRO 24 HA PRO 24 -0.539 2.998 2.393
159 1HB PRO 24 1HB PRO 24 -2.770 1.420 1.916
160 2HB PRO 24 2HB PRO 24 -1.487 1.630 0.717
161 1HG PRO 24 1HG PRO 24 -1.835 -0.699 2.679
162 2HG PRO 24 2HG PRO 24 -1.582 -0.787 0.918
163 1HD PRO 24 1HD PRO 24 0.509 -1.032 2.718
164 2HD PRO 24 2HD PRO 24 0.745 -0.262 1.119
165 H CYS 25 H CYS 25 -2.707 3.383 3.336
166 HA CYS 25 HA CYS 25 -2.828 2.595 6.300
167 1HB CYS 25 1HB CYS 25 -2.481 5.306 5.074
168 2HB CYS 25 2HB CYS 25 -3.819 5.216 6.261
169 H ARG 26 H ARG 26 -4.768 2.590 7.198
170 HA ARG 26 HA ARG 26 -7.295 2.918 5.588
171 1HB ARG 26 1HB ARG 26 -6.842 0.411 5.685
172 2HB ARG 26 2HB ARG 26 -6.807 0.483 7.435
173 1HG ARG 26 1HG ARG 26 -8.950 -0.371 6.727
174 2HG ARG 26 2HG ARG 26 -9.221 1.196 7.477
175 1HD ARG 26 1HD ARG 26 -9.437 2.272 5.196
176 2HD ARG 26 2HD ARG 26 -9.089 0.718 4.416
177 1HH1 ARG 26 2HH2 ARG 26 -10.671 2.286 3.319
178 2HH1 ARG 26 1HH2 ARG 26 -12.438 2.220 2.831
179 1HH2 ARG 26 1HH1 ARG 26 -13.328 0.220 5.491
180 2HH2 ARG 26 2HH1 ARG 26 -13.840 1.127 3.980
181 H CYS 27 H CYS 27 -8.448 4.363 6.713
182 HA CYS 27 HA CYS 27 -7.192 5.477 9.040
183 1HB CYS 27 1HB CYS 27 -9.974 6.283 7.969
184 2HB CYS 27 2HB CYS 27 -8.929 7.241 8.957
185 H SER 28 H SER 28 -8.360 6.187 10.997
186 HA SER 28 HA SER 28 -9.420 3.867 12.544
187 1HB SER 28 1HB SER 28 -7.681 5.881 13.172
188 2HB SER 28 2HB SER 28 -9.147 6.766 13.583
189 HG SER 28 HG SER 28 -8.260 5.602 15.297
190 H MET 29 H MET 29 -10.846 4.903 14.318
191 HA MET 29 HA MET 29 -13.756 4.902 13.423
192 1HB MET 29 1HB MET 29 -12.212 5.004 16.111
193 2HB MET 29 2HB MET 29 -13.828 5.581 16.084
194 1HG MET 29 1HG MET 29 -13.839 3.218 16.766
195 2HG MET 29 2HG MET 29 -14.685 3.369 15.223
196 1HE MET 29 3HE MET 29 -11.656 1.857 17.170
197 2HE MET 29 2HE MET 29 -10.518 1.362 15.883
198 3HE MET 29 1HE MET 29 -10.720 3.094 16.273
199 H ILE 30 H ILE 30 -11.517 7.252 13.731
200 HA ILE 30 HA ILE 30 -13.374 9.533 13.396
201 HB ILE 30 HB ILE 30 -10.879 9.831 15.216
202 1HG1 ILE 30 1HG1 ILE 30 -13.869 10.314 15.885
203 2HG1 ILE 30 2HG1 ILE 30 -12.990 8.870 16.347
204 1HG2 ILE 30 1HG2 ILE 30 -11.253 11.779 13.584
205 2HG2 ILE 30 2HG2 ILE 30 -12.915 11.959 14.183
206 3HG2 ILE 30 3HG2 ILE 30 -11.528 12.275 15.254
207 1HD1 ILE 30 1HD1 ILE 30 -11.376 10.226 17.736
208 2HD1 ILE 30 2HD1 ILE 30 -12.318 11.695 17.362
209 3HD1 ILE 30 3HD1 ILE 30 -13.068 10.366 18.270
210 H GLY 31 H GLY 31 -12.906 8.834 11.585
211 1HA GLY 31 2HA GLY 31 -10.836 7.861 9.981
212 2HA GLY 31 1HA GLY 31 -12.081 8.811 9.215
213 H THR 32 H THR 32 -11.215 11.070 10.835
214 HA THR 32 HA THR 32 -8.797 12.045 9.110
215 HB THR 32 HB THR 32 -8.702 14.137 10.264
216 HG1 THR 32 HG1 THR 32 -9.951 13.589 12.125
217 1HG2 THR 32 1HG2 THR 32 -9.965 14.019 8.066
218 2HG2 THR 32 2HG2 THR 32 -11.484 13.660 8.928
219 3HG2 THR 32 3HG2 THR 32 -10.699 15.247 9.120
220 H ASN 33 H ASN 33 -7.056 11.841 9.976
221 HA ASN 33 HA ASN 33 -5.130 11.255 11.406
222 1HB ASN 33 1HB ASN 33 -7.153 10.824 13.749
223 2HB ASN 33 2HB ASN 33 -5.517 10.347 13.806
224 1HD2 ASN 33 1HD2 ASN 33 -6.324 14.278 14.480
225 2HD2 ASN 33 2HD2 ASN 33 -7.625 13.035 14.120
226 H CYS 34 H CYS 34 -5.512 9.747 9.659
227 HA CYS 34 HA CYS 34 -6.793 7.114 9.969
228 1HB CYS 34 1HB CYS 34 -4.483 7.880 8.100
229 2HB CYS 34 2HB CYS 34 -5.500 6.472 7.909
230 H GLU 35 H GLU 35 -5.509 5.027 9.747
231 HA GLU 35 HA GLU 35 -2.788 5.104 11.211
232 1HB GLU 35 1HB GLU 35 -4.374 2.604 11.789
233 2HB GLU 35 2HB GLU 35 -3.134 3.392 12.671
234 1HG GLU 35 1HG GLU 35 -4.617 5.156 13.556
235 2HG GLU 35 2HG GLU 35 -5.989 4.472 12.684
236 HE2 GLU 35 HE2 GLU 35 -6.590 1.912 14.892
237 H CYS 36 H CYS 36 -1.763 2.925 11.060
238 HA CYS 36 HA CYS 36 -1.347 2.446 8.058
239 1HB CYS 36 1HB CYS 36 0.498 2.176 10.548
240 2HB CYS 36 2HB CYS 36 0.892 1.190 9.242
241 H THR 37 H THR 37 -0.892 0.338 7.230
242 HA THR 37 HA THR 37 -2.887 -1.693 8.290
243 HB THR 37 HB THR 37 -2.696 -2.741 6.036
244 HG1 THR 37 HG1 THR 37 -1.692 -1.448 4.420
245 1HG2 THR 37 2HG2 THR 37 -4.488 -1.016 6.479
246 2HG2 THR 37 3HG2 THR 37 -3.379 0.285 5.981
247 3HG2 THR 37 1HG2 THR 37 -3.923 -0.922 4.795
248 HA PRO 38 HA PRO 38 0.623 -4.562 9.558
249 1HB PRO 38 1HB PRO 38 -1.788 -6.465 9.637
250 2HB PRO 38 2HB PRO 38 -0.517 -6.245 10.852
251 1HG PRO 38 1HG PRO 38 -3.035 -5.201 11.185
252 2HG PRO 38 2HG PRO 38 -1.610 -4.322 11.766
253 1HD PRO 38 1HD PRO 38 -3.262 -3.767 9.277
254 2HD PRO 38 2HD PRO 38 -2.428 -2.628 10.338
255 H ARG 39 H ARG 39 1.580 -6.422 8.821
256 HA ARG 39 HA ARG 39 0.543 -7.782 6.302
257 1HB ARG 39 1HB ARG 39 2.766 -7.702 5.197
258 2HB ARG 39 2HB ARG 39 1.998 -6.148 5.312
259 1HG ARG 39 1HG ARG 39 3.526 -5.409 7.114
260 2HG ARG 39 2HG ARG 39 4.290 -6.999 7.194
261 1HD ARG 39 1HD ARG 39 5.175 -6.792 4.892
262 2HD ARG 39 2HD ARG 39 4.278 -5.289 4.632
263 1HH1 ARG 39 2HH2 ARG 39 6.287 -5.203 3.448
264 2HH1 ARG 39 1HH2 ARG 39 7.833 -4.215 3.492
265 1HH2 ARG 39 1HH1 ARG 39 7.753 -3.828 6.912
266 2HH2 ARG 39 2HH1 ARG 39 8.604 -3.490 5.322
267 H LEU 40 H LEU 40 0.644 -9.819 6.571
268 HA LEU 40 HA LEU 40 0.843 -11.976 7.592
269 1HB LEU 40 1HB LEU 40 2.955 -12.916 7.007
270 2HB LEU 40 2HB LEU 40 2.642 -11.752 5.798
271 HG LEU 40 HG LEU 40 4.430 -10.713 8.008
272 1HD1 LEU 40 1HD1 LEU 40 5.190 -13.089 7.993
273 2HD1 LEU 40 2HD1 LEU 40 5.473 -13.008 6.239
274 3HD1 LEU 40 3HD1 LEU 40 6.441 -12.007 7.353
275 1HD2 LEU 40 2HD2 LEU 40 4.108 -9.443 5.851
276 2HD2 LEU 40 3HD2 LEU 40 5.805 -9.867 6.117
277 3HD2 LEU 40 1HD2 LEU 40 4.829 -10.789 4.945
278 H ILE 41 H ILE 41 3.064 -13.078 9.051
279 HA ILE 41 HA ILE 41 3.859 -13.519 11.221
280 HB ILE 41 HB ILE 41 2.928 -10.645 12.060
281 1HG1 ILE 41 1HG1 ILE 41 4.560 -10.373 10.256
282 2HG1 ILE 41 2HG1 ILE 41 5.272 -9.926 11.772
283 1HG2 ILE 41 1HG2 ILE 41 4.906 -12.634 13.390
284 2HG2 ILE 41 2HG2 ILE 41 4.630 -10.955 13.912
285 3HG2 ILE 41 3HG2 ILE 41 3.325 -12.141 14.029
286 1HD1 ILE 41 2HD1 ILE 41 5.860 -12.578 10.287
287 2HD1 ILE 41 3HD1 ILE 41 6.899 -11.137 10.329
288 3HD1 ILE 41 1HD1 ILE 41 6.620 -12.068 11.817
289 H MET 42 H MET 42 2.708 -14.993 12.189
290 HA MET 42 HA MET 42 0.099 -14.269 13.664
291 1HB MET 42 1HB MET 42 -0.646 -16.566 13.495
292 2HB MET 42 2HB MET 42 -0.356 -15.963 11.890
293 1HG MET 42 1HG MET 42 1.781 -17.297 11.753
294 2HG MET 42 2HG MET 42 1.538 -17.877 13.408
295 1HE MET 42 1HE MET 42 -1.105 -18.950 14.052
296 2HE MET 42 3HE MET 42 -1.257 -20.493 13.161
297 3HE MET 42 2HE MET 42 0.296 -20.060 13.936
298 H GLU 43 H GLU 43 -0.173 -15.483 15.661
299 HA GLU 43 HA GLU 43 2.188 -15.116 17.420
300 1HB GLU 43 1HB GLU 43 -0.611 -16.310 18.021
301 2HB GLU 43 2HB GLU 43 0.612 -15.997 19.240
302 1HG GLU 43 1HG GLU 43 0.613 -13.534 18.671
303 2HG GLU 43 2HG GLU 43 -0.658 -13.804 17.484
304 HE1 GLU 43 HE2 GLU 43 -3.225 -14.140 19.768
305 H GLY 44 H GLY 44 3.381 -16.556 18.469
306 1HA GLY 44 1HA GLY 44 4.240 -18.743 19.173
307 2HA GLY 44 2HA GLY 44 3.108 -19.575 18.125
308 H LEU 45 H LEU 45 3.784 -20.080 16.078
309 HA LEU 45 HA LEU 45 6.620 -19.354 15.164
310 1HB LEU 45 1HB LEU 45 4.616 -21.406 14.043
311 2HB LEU 45 2HB LEU 45 6.177 -21.055 13.328
312 HG LEU 45 HG LEU 45 5.805 -22.220 16.150
313 1HD1 LEU 45 3HD1 LEU 45 5.035 -23.811 14.381
314 2HD1 LEU 45 1HD1 LEU 45 6.583 -23.644 13.519
315 3HD1 LEU 45 2HD1 LEU 45 6.531 -24.390 15.137
316 1HD2 LEU 45 2HD2 LEU 45 8.387 -21.888 14.472
317 2HD2 LEU 45 3HD2 LEU 45 7.992 -21.013 15.972
318 3HD2 LEU 45 1HD2 LEU 45 8.265 -22.761 16.020
319 H SER 46 H SER 46 6.749 -17.633 13.922
320 HA SER 46 HA SER 46 4.356 -16.202 12.912
321 1HB SER 46 1HB SER 46 7.378 -15.577 12.608
322 2HB SER 46 2HB SER 46 6.070 -14.492 12.129
323 HG SER 46 HG SER 46 6.469 -15.547 14.729
324 H PHE 47 H PHE 47 3.393 -16.564 11.100
325 HA PHE 47 HA PHE 47 4.899 -17.297 8.528
326 1HB PHE 47 1HB PHE 47 2.329 -18.692 9.538
327 2HB PHE 47 2HB PHE 47 3.049 -18.921 7.969
328 HD1 PHE 47 HD2 PHE 47 5.772 -19.601 8.130
329 HD2 PHE 47 HD1 PHE 47 2.728 -20.467 11.052
330 HE1 PHE 47 HE2 PHE 47 7.086 -21.511 8.952
331 HE2 PHE 47 HE1 PHE 47 4.043 -22.388 11.835
332 HZ PHE 47 HZ PHE 47 6.226 -22.908 10.803
333 H ALA 48 H ALA 48 1.443 -16.916 9.331
334 HA ALA 48 HA ALA 48 1.273 -14.238 7.916
335 1HB ALA 48 2HB ALA 48 -0.236 -16.724 6.822
336 2HB ALA 48 3HB ALA 48 -0.450 -15.045 6.265
337 3HB ALA 48 1HB ALA 48 1.098 -15.870 6.008
338 HXT ALA 48 HO ALA 48 -1.188 -13.622 10.167
No H/Q in entry = 338
Start of MODEL 22
Raw file had 348 H/Q atoms
Start of MODEL 22
1 1H GLU 1 2H GLU 1 9.435 16.591 14.054
2 2H GLU 1 3H GLU 1 9.608 15.094 14.732
3 3H GLU 1 1H GLU 1 10.823 16.206 14.862
4 HA GLU 1 HA GLU 1 11.220 16.166 12.460
5 1HB GLU 1 1HB GLU 1 12.495 14.645 14.029
6 2HB GLU 1 2HB GLU 1 11.240 13.428 13.928
7 1HG GLU 1 1HG GLU 1 13.118 12.732 12.574
8 2HG GLU 1 2HG GLU 1 11.764 13.029 11.506
9 HE2 GLU 1 HE2 GLU 1 13.280 15.563 9.727
10 H ASP 2 H ASP 2 9.346 13.210 13.093
11 HA ASP 2 HA ASP 2 7.670 12.024 11.859
12 1HB ASP 2 1HB ASP 2 6.844 14.856 10.845
13 2HB ASP 2 2HB ASP 2 5.971 13.381 10.513
14 HD2 ASP 2 HD2 ASP 2 6.794 15.659 12.793
15 H ASN 3 H ASN 3 9.134 10.913 10.655
16 HA ASN 3 HA ASN 3 10.037 11.947 7.919
17 1HB ASN 3 1HB ASN 3 11.768 11.344 9.704
18 2HB ASN 3 2HB ASN 3 11.194 9.697 9.657
19 1HD2 ASN 3 1HD2 ASN 3 13.732 11.013 6.717
20 2HD2 ASN 3 2HD2 ASN 3 13.080 12.118 8.029
21 H CYS 4 H CYS 4 9.624 9.003 9.078
22 HA CYS 4 HA CYS 4 7.356 8.152 7.090
23 1HB CYS 4 1HB CYS 4 8.130 6.070 6.941
24 2HB CYS 4 2HB CYS 4 9.252 7.037 6.132
25 H ILE 5 H ILE 5 6.422 5.975 7.739
26 HA ILE 5 HA ILE 5 5.772 6.009 10.792
27 HB ILE 5 HB ILE 5 3.742 4.769 8.830
28 1HG1 ILE 5 1HG1 ILE 5 3.552 7.505 10.111
29 2HG1 ILE 5 2HG1 ILE 5 4.015 7.295 8.448
30 1HG2 ILE 5 2HG2 ILE 5 3.718 3.921 11.206
31 2HG2 ILE 5 3HG2 ILE 5 3.441 5.587 11.786
32 3HG2 ILE 5 1HG2 ILE 5 2.255 4.758 10.766
33 1HD1 ILE 5 1HD1 ILE 5 1.339 6.319 9.527
34 2HD1 ILE 5 2HD1 ILE 5 1.645 7.765 8.542
35 3HD1 ILE 5 3HD1 ILE 5 1.902 6.146 7.857
36 H ALA 6 H ALA 6 7.241 4.471 11.405
37 HA ALA 6 HA ALA 6 7.882 2.144 9.562
38 1HB ALA 6 2HB ALA 6 9.722 3.258 10.971
39 2HB ALA 6 3HB ALA 6 8.891 2.769 12.474
40 3HB ALA 6 1HB ALA 6 9.587 1.540 11.390
41 H GLU 7 H GLU 7 5.375 2.601 11.216
42 HA GLU 7 HA GLU 7 4.887 -0.166 12.432
43 1HB GLU 7 1HB GLU 7 3.820 2.612 13.237
44 2HB GLU 7 2HB GLU 7 3.247 1.129 13.967
45 1HG GLU 7 1HG GLU 7 5.554 0.610 14.845
46 2HG GLU 7 2HG GLU 7 6.159 2.111 14.145
47 HE1 GLU 7 HE2 GLU 7 3.918 2.106 17.505
48 H ASP 8 H ASP 8 3.422 -1.415 12.104
49 HA ASP 8 HA ASP 8 1.153 -0.804 10.198
50 1HB ASP 8 1HB ASP 8 0.259 -3.126 11.020
51 2HB ASP 8 2HB ASP 8 1.561 -2.957 9.852
52 HD1 ASP 8 HD2 ASP 8 0.799 -3.717 13.051
53 H TYR 9 H TYR 9 -0.562 -0.191 10.885
54 HA TYR 9 HA TYR 9 -2.188 1.103 12.160
55 1HB TYR 9 1HB TYR 9 -1.622 -1.031 14.363
56 2HB TYR 9 2HB TYR 9 -3.010 0.016 14.275
57 HD1 TYR 9 HD2 TYR 9 -4.529 -0.125 12.097
58 HD2 TYR 9 HD1 TYR 9 -1.650 -3.160 13.105
59 HE1 TYR 9 HE2 TYR 9 -5.562 -1.657 10.476
60 HE2 TYR 9 HE1 TYR 9 -2.691 -4.676 11.486
61 HH TYR 9 HH TYR 9 -5.487 -3.655 9.523
62 H GLY 10 H GLY 10 0.392 2.065 12.085
63 1HA GLY 10 1HA GLY 10 1.182 3.562 14.583
64 2HA GLY 10 2HA GLY 10 1.678 3.861 12.967
65 H LYS 11 H LYS 11 1.301 6.008 13.772
66 HA LYS 11 HA LYS 11 -1.593 6.998 13.217
67 1HB LYS 11 1HB LYS 11 -0.726 9.342 13.743
68 2HB LYS 11 2HB LYS 11 -0.961 8.227 15.029
69 1HG LYS 11 1HG LYS 11 1.561 7.908 15.239
70 2HG LYS 11 2HG LYS 11 1.808 8.919 13.814
71 1HD LYS 11 1HD LYS 11 0.757 10.882 15.028
72 2HD LYS 11 2HD LYS 11 0.535 9.871 16.461
73 1HE LYS 11 1HE LYS 11 3.050 9.531 16.616
74 2HE LYS 11 2HE LYS 11 3.278 10.523 15.168
75 1HZ LYS 11 1HZ LYS 11 2.308 12.390 16.331
76 2HZ LYS 11 2HZ LYS 11 3.599 11.808 17.148
77 H CYS 12 H CYS 12 -2.004 7.864 11.506
78 HA CYS 12 HA CYS 12 0.016 8.813 9.408
79 1HB CYS 12 1HB CYS 12 -0.779 7.451 7.599
80 2HB CYS 12 2HB CYS 12 -0.718 6.290 8.895
81 H THR 13 H THR 13 -1.219 9.534 7.457
82 HA THR 13 HA THR 13 -3.989 10.627 7.967
83 HB THR 13 HB THR 13 -2.939 12.942 6.770
84 HG1 THR 13 HG1 THR 13 -1.292 12.176 8.978
85 1HG2 THR 13 3HG2 THR 13 -4.707 12.890 8.542
86 2HG2 THR 13 1HG2 THR 13 -3.484 12.499 9.782
87 3HG2 THR 13 2HG2 THR 13 -3.442 14.071 8.946
88 H TRP 14 H TRP 14 -5.042 11.161 6.206
89 HA TRP 14 HA TRP 14 -4.126 10.011 3.491
90 1HB TRP 14 1HB TRP 14 -6.942 10.824 4.435
91 2HB TRP 14 2HB TRP 14 -6.528 10.467 2.771
92 HD1 TRP 14 HD1 TRP 14 -4.571 7.784 4.641
93 HE1 TRP 14 HE1 TRP 14 -5.887 5.542 4.781
94 HE3 TRP 14 HE3 TRP 14 -9.171 9.662 3.303
95 HZ2 TRP 14 HZ2 TRP 14 -8.604 4.797 4.340
96 HZ3 TRP 14 HZ3 TRP 14 -11.091 8.108 3.208
97 HH2 TRP 14 HH2 TRP 14 -10.812 5.715 3.719
98 H GLY 15 H GLY 15 -2.846 11.451 2.837
99 1HA GLY 15 1HA GLY 15 -2.089 13.612 1.821
100 2HA GLY 15 2HA GLY 15 -3.431 14.466 2.630
101 H GLY 16 H GLY 16 -0.704 12.325 3.325
102 1HA GLY 16 2HA GLY 16 -0.023 13.558 6.104
103 2HA GLY 16 1HA GLY 16 -0.692 12.031 5.920
104 H THR 17 H THR 17 1.126 11.496 7.087
105 HA THR 17 HA THR 17 3.464 10.533 5.354
106 HB THR 17 HB THR 17 3.117 9.542 8.254
107 HG1 THR 17 HG1 THR 17 2.977 11.839 8.259
108 1HG2 THR 17 2HG2 THR 17 4.996 8.566 6.839
109 2HG2 THR 17 3HG2 THR 17 5.652 10.173 6.546
110 3HG2 THR 17 1HG2 THR 17 5.627 9.493 8.187
111 H LYS 18 H LYS 18 3.702 8.423 4.958
112 HA LYS 18 HA LYS 18 1.490 6.339 5.524
113 1HB LYS 18 1HB LYS 18 3.208 5.976 3.082
114 2HB LYS 18 2HB LYS 18 1.705 5.264 3.480
115 1HG LYS 18 1HG LYS 18 1.929 8.191 2.566
116 2HG LYS 18 2HG LYS 18 1.549 6.822 1.533
117 1HD LYS 18 1HD LYS 18 -0.513 6.316 2.838
118 2HD LYS 18 2HD LYS 18 -0.161 7.625 3.974
119 1HE LYS 18 1HE LYS 18 -0.384 9.333 2.144
120 2HE LYS 18 2HE LYS 18 -0.659 8.053 0.949
121 1HZ LYS 18 1HZ LYS 18 -2.377 8.553 3.316
122 2HZ LYS 18 2HZ LYS 18 -2.631 7.393 2.193
123 H CYS 19 H CYS 19 2.548 4.283 5.088
124 HA CYS 19 HA CYS 19 4.586 4.064 7.259
125 1HB CYS 19 1HB CYS 19 2.881 1.962 5.980
126 2HB CYS 19 2HB CYS 19 4.446 1.378 6.613
127 H CYS 20 H CYS 20 6.386 3.300 7.223
128 HA CYS 20 HA CYS 20 8.127 4.632 5.820
129 1HB CYS 20 1HB CYS 20 8.397 3.493 8.077
130 2HB CYS 20 2HB CYS 20 9.089 2.082 7.275
131 H ARG 21 H ARG 21 7.704 1.154 5.390
132 HA ARG 21 HA ARG 21 9.715 0.952 3.083
133 1HB ARG 21 1HB ARG 21 9.712 -0.661 5.226
134 2HB ARG 21 2HB ARG 21 8.254 -1.377 4.554
135 1HG ARG 21 1HG ARG 21 9.640 -2.024 2.476
136 2HG ARG 21 2HG ARG 21 11.050 -1.282 3.231
137 1HD ARG 21 1HD ARG 21 10.867 -2.919 5.167
138 2HD ARG 21 2HD ARG 21 9.431 -3.643 4.420
139 1HH1 ARG 21 2HH2 ARG 21 10.823 -5.406 5.382
140 2HH1 ARG 21 1HH2 ARG 21 11.833 -6.808 4.763
141 1HH2 ARG 21 1HH1 ARG 21 12.664 -5.191 1.831
142 2HH2 ARG 21 2HH1 ARG 21 12.811 -6.692 2.877
143 H GLY 22 H GLY 22 7.296 2.109 2.859
144 1HA GLY 22 1HA GLY 22 5.868 2.596 0.854
145 2HA GLY 22 2HA GLY 22 6.545 1.188 0.083
146 H ARG 23 H ARG 23 4.715 1.793 2.890
147 HA ARG 23 HA ARG 23 2.665 -0.419 2.254
148 1HB ARG 23 1HB ARG 23 4.036 0.517 4.775
149 2HB ARG 23 2HB ARG 23 2.537 -0.346 4.940
150 1HG ARG 23 1HG ARG 23 5.167 -1.349 3.666
151 2HG ARG 23 2HG ARG 23 4.611 -1.635 5.295
152 1HD ARG 23 1HD ARG 23 4.101 -3.679 4.249
153 2HD ARG 23 2HD ARG 23 2.545 -2.876 4.349
154 1HH1 ARG 23 2HH2 ARG 23 5.726 -3.659 2.666
155 2HH1 ARG 23 1HH2 ARG 23 5.962 -4.008 0.881
156 1HH2 ARG 23 1HH1 ARG 23 2.723 -3.137 0.069
157 2HH2 ARG 23 2HH1 ARG 23 4.364 -3.729 -0.498
158 HA PRO 24 HA PRO 24 -0.136 3.273 2.136
159 1HB PRO 24 1HB PRO 24 -2.190 0.982 1.891
160 2HB PRO 24 2HB PRO 24 -2.127 2.498 0.969
161 1HG PRO 24 1HG PRO 24 -1.209 0.237 -0.200
162 2HG PRO 24 2HG PRO 24 -0.235 1.714 -0.347
163 1HD PRO 24 1HD PRO 24 0.231 -0.639 1.583
164 2HD PRO 24 2HD PRO 24 1.395 0.286 0.590
165 H CYS 25 H CYS 25 -1.910 4.115 3.206
166 HA CYS 25 HA CYS 25 -2.266 3.150 6.101
167 1HB CYS 25 1HB CYS 25 -1.263 5.105 6.532
168 2HB CYS 25 2HB CYS 25 -1.526 5.783 4.916
169 H ARG 26 H ARG 26 -4.238 3.475 7.029
170 HA ARG 26 HA ARG 26 -6.740 3.690 5.356
171 1HB ARG 26 1HB ARG 26 -6.020 1.309 5.113
172 2HB ARG 26 2HB ARG 26 -5.935 1.113 6.861
173 1HG ARG 26 1HG ARG 26 -8.438 1.511 6.996
174 2HG ARG 26 2HG ARG 26 -8.500 1.697 5.238
175 1HD ARG 26 1HD ARG 26 -7.652 -0.658 4.925
176 2HD ARG 26 2HD ARG 26 -7.445 -0.834 6.677
177 1HH1 ARG 26 2HH2 ARG 26 -8.023 -2.861 6.317
178 2HH1 ARG 26 1HH2 ARG 26 -9.446 -3.994 6.558
179 1HH2 ARG 26 1HH1 ARG 26 -11.785 -1.493 6.215
180 2HH2 ARG 26 2HH1 ARG 26 -11.429 -3.270 6.504
181 H CYS 27 H CYS 27 -8.100 4.854 6.623
182 HA CYS 27 HA CYS 27 -7.054 5.799 9.095
183 1HB CYS 27 1HB CYS 27 -9.904 6.252 8.024
184 2HB CYS 27 2HB CYS 27 -9.193 7.198 9.282
185 H SER 28 H SER 28 -8.443 6.092 11.087
186 HA SER 28 HA SER 28 -9.233 3.603 12.489
187 1HB SER 28 1HB SER 28 -8.360 6.016 13.391
188 2HB SER 28 2HB SER 28 -10.065 6.440 13.392
189 HG SER 28 HG SER 28 -10.407 4.543 14.647
190 H MET 29 H MET 29 -11.311 4.185 13.847
191 HA MET 29 HA MET 29 -13.423 2.820 12.198
192 1HB MET 29 1HB MET 29 -13.403 3.752 15.164
193 2HB MET 29 2HB MET 29 -14.736 2.888 14.442
194 1HG MET 29 1HG MET 29 -11.884 1.767 14.776
195 2HG MET 29 2HG MET 29 -13.313 1.344 15.720
196 1HE MET 29 1HE MET 29 -11.547 1.048 12.158
197 2HE MET 29 3HE MET 29 -11.117 -0.237 13.328
198 3HE MET 29 2HE MET 29 -12.038 -0.643 11.850
199 H ILE 30 H ILE 30 -13.188 5.994 13.672
200 HA ILE 30 HA ILE 30 -15.970 6.870 12.805
201 HB ILE 30 HB ILE 30 -14.893 7.692 14.998
202 1HG1 ILE 30 1HG1 ILE 30 -15.344 10.177 14.685
203 2HG1 ILE 30 2HG1 ILE 30 -15.443 9.963 12.948
204 1HG2 ILE 30 2HG2 ILE 30 -12.468 7.929 14.156
205 2HG2 ILE 30 3HG2 ILE 30 -12.956 9.358 13.217
206 3HG2 ILE 30 1HG2 ILE 30 -13.059 9.373 14.987
207 1HD1 ILE 30 2HD1 ILE 30 -17.335 8.651 15.028
208 2HD1 ILE 30 3HD1 ILE 30 -17.697 10.092 14.049
209 3HD1 ILE 30 1HD1 ILE 30 -17.507 8.515 13.256
210 H GLY 31 H GLY 31 -12.651 7.468 11.668
211 1HA GLY 31 1HA GLY 31 -12.668 7.623 8.945
212 2HA GLY 31 2HA GLY 31 -13.739 8.989 9.223
213 H THR 32 H THR 32 -12.485 10.016 11.504
214 HA THR 32 HA THR 32 -9.966 11.354 10.386
215 HB THR 32 HB THR 32 -10.125 12.806 12.459
216 HG1 THR 32 HG1 THR 32 -12.077 12.679 13.643
217 1HG2 THR 32 1HG2 THR 32 -11.281 13.581 10.337
218 2HG2 THR 32 2HG2 THR 32 -12.787 12.780 10.859
219 3HG2 THR 32 3HG2 THR 32 -12.129 14.139 11.796
220 H ASN 33 H ASN 33 -8.213 11.599 12.027
221 HA ASN 33 HA ASN 33 -6.398 10.784 13.259
222 1HB ASN 33 1HB ASN 33 -6.761 9.727 15.341
223 2HB ASN 33 2HB ASN 33 -8.123 10.772 15.140
224 1HD2 ASN 33 1HD2 ASN 33 -8.844 6.977 16.196
225 2HD2 ASN 33 2HD2 ASN 33 -7.148 7.612 15.901
226 H CYS 34 H CYS 34 -6.559 9.883 10.918
227 HA CYS 34 HA CYS 34 -6.951 7.166 10.384
228 1HB CYS 34 1HB CYS 34 -4.889 8.863 8.933
229 2HB CYS 34 2HB CYS 34 -5.565 7.387 8.302
230 H GLU 35 H GLU 35 -5.439 5.380 9.844
231 HA GLU 35 HA GLU 35 -2.775 5.425 11.417
232 1HB GLU 35 1HB GLU 35 -4.517 2.897 11.397
233 2HB GLU 35 2HB GLU 35 -3.178 3.222 12.380
234 1HG GLU 35 1HG GLU 35 -4.318 4.943 13.746
235 2HG GLU 35 2HG GLU 35 -5.801 4.742 12.819
236 HE1 GLU 35 HE2 GLU 35 -4.580 1.903 15.455
237 H CYS 36 H CYS 36 -1.785 3.162 11.039
238 HA CYS 36 HA CYS 36 -1.139 2.950 8.008
239 1HB CYS 36 1HB CYS 36 0.565 2.404 10.502
240 2HB CYS 36 2HB CYS 36 0.803 1.262 9.270
241 H THR 37 H THR 37 -1.014 0.823 7.026
242 HA THR 37 HA THR 37 -2.237 -1.521 8.547
243 HB THR 37 HB THR 37 -4.177 -0.578 7.576
244 HG1 THR 37 HG1 THR 37 -3.267 -2.724 5.983
245 1HG2 THR 37 3HG2 THR 37 -2.777 -0.667 4.778
246 2HG2 THR 37 1HG2 THR 37 -4.519 -0.426 5.006
247 3HG2 THR 37 2HG2 THR 37 -3.374 0.792 5.601
248 HA PRO 38 HA PRO 38 1.169 -3.425 6.130
249 1HB PRO 38 1HB PRO 38 1.193 -5.898 7.313
250 2HB PRO 38 2HB PRO 38 1.590 -4.429 8.204
251 1HG PRO 38 1HG PRO 38 -1.069 -5.952 8.181
252 2HG PRO 38 2HG PRO 38 -0.188 -5.317 9.590
253 1HD PRO 38 1HD PRO 38 -2.323 -3.948 8.337
254 2HD PRO 38 2HD PRO 38 -1.060 -3.121 9.241
255 H ARG 39 H ARG 39 0.201 -3.282 4.054
256 HA ARG 39 HA ARG 39 -1.804 -5.353 3.189
257 1HB ARG 39 1HB ARG 39 -0.502 -3.072 1.548
258 2HB ARG 39 2HB ARG 39 -1.806 -4.128 1.027
259 1HG ARG 39 1HG ARG 39 -3.121 -3.260 3.166
260 2HG ARG 39 2HG ARG 39 -1.890 -2.001 3.219
261 1HD ARG 39 1HD ARG 39 -2.488 -1.297 0.870
262 2HD ARG 39 2HD ARG 39 -3.685 -2.596 0.768
263 1HH1 ARG 39 2HH2 ARG 39 -4.381 -0.655 -0.403
264 2HH1 ARG 39 1HH2 ARG 39 -5.741 0.570 -0.270
265 1HH2 ARG 39 1HH1 ARG 39 -5.853 0.392 3.172
266 2HH2 ARG 39 2HH1 ARG 39 -6.519 1.123 1.626
267 H LEU 40 H LEU 40 -1.297 -7.196 2.355
268 HA LEU 40 HA LEU 40 1.416 -8.019 1.385
269 1HB LEU 40 1HB LEU 40 -1.328 -9.443 1.250
270 2HB LEU 40 2HB LEU 40 0.184 -10.185 0.777
271 HG LEU 40 HG LEU 40 -0.442 -9.228 3.636
272 1HD1 LEU 40 2HD1 LEU 40 -1.912 -11.127 2.955
273 2HD1 LEU 40 3HD1 LEU 40 -0.492 -12.089 2.474
274 3HD1 LEU 40 1HD1 LEU 40 -0.740 -11.644 4.182
275 1HD2 LEU 40 2HD2 LEU 40 1.938 -10.917 2.601
276 2HD2 LEU 40 3HD2 LEU 40 2.027 -9.258 3.243
277 3HD2 LEU 40 1HD2 LEU 40 1.567 -10.591 4.313
278 H ILE 41 H ILE 41 -1.754 -7.777 -0.241
279 HA ILE 41 HA ILE 41 -0.378 -7.141 -2.916
280 HB ILE 41 HB ILE 41 -3.425 -7.493 -2.409
281 1HG1 ILE 41 1HG1 ILE 41 -2.402 -9.694 -2.174
282 2HG1 ILE 41 2HG1 ILE 41 -3.250 -9.605 -3.690
283 1HG2 ILE 41 3HG2 ILE 41 -1.773 -7.106 -5.019
284 2HG2 ILE 41 1HG2 ILE 41 -3.509 -7.497 -4.958
285 3HG2 ILE 41 2HG2 ILE 41 -2.931 -5.953 -4.323
286 1HD1 ILE 41 1HD1 ILE 41 -1.030 -9.388 -4.930
287 2HD1 ILE 41 2HD1 ILE 41 -0.172 -9.488 -3.369
288 3HD1 ILE 41 3HD1 ILE 41 -1.132 -10.865 -3.948
289 H MET 42 H MET 42 0.228 -5.121 -2.883
290 HA MET 42 HA MET 42 -0.506 -3.114 -0.930
291 1HB MET 42 1HB MET 42 1.689 -3.392 -2.306
292 2HB MET 42 2HB MET 42 0.864 -2.700 -3.697
293 1HG MET 42 1HG MET 42 0.556 -0.539 -2.392
294 2HG MET 42 2HG MET 42 1.336 -1.302 -0.987
295 1HE MET 42 3HE MET 42 2.783 1.055 -1.291
296 2HE MET 42 2HE MET 42 4.007 1.266 -2.577
297 3HE MET 42 1HE MET 42 2.268 1.435 -2.963
298 H GLU 43 H GLU 43 -1.630 -3.358 -4.300
299 HA GLU 43 HA GLU 43 -3.244 -0.832 -4.215
300 1HB GLU 43 1HB GLU 43 -4.140 -1.564 -6.392
301 2HB GLU 43 2HB GLU 43 -2.398 -1.650 -6.361
302 1HG GLU 43 1HG GLU 43 -2.550 -4.202 -6.085
303 2HG GLU 43 2HG GLU 43 -4.302 -4.082 -6.187
304 HE1 GLU 43 HE2 GLU 43 -1.953 -3.701 -9.451
305 H GLY 44 H GLY 44 -5.246 -0.557 -3.597
306 1HA GLY 44 1HA GLY 44 -7.448 -2.429 -3.593
307 2HA GLY 44 2HA GLY 44 -6.714 -2.544 -1.987
308 H LEU 45 H LEU 45 -8.571 -1.768 -1.077
309 HA LEU 45 HA LEU 45 -8.834 1.232 -0.899
310 1HB LEU 45 1HB LEU 45 -10.436 0.565 -2.765
311 2HB LEU 45 2HB LEU 45 -11.231 -0.564 -1.690
312 HG LEU 45 HG LEU 45 -11.945 1.391 -0.212
313 1HD1 LEU 45 1HD1 LEU 45 -10.826 3.159 -2.495
314 2HD1 LEU 45 2HD1 LEU 45 -11.850 3.725 -1.152
315 3HD1 LEU 45 3HD1 LEU 45 -10.225 3.107 -0.820
316 1HD2 LEU 45 2HD2 LEU 45 -13.486 0.410 -1.915
317 2HD2 LEU 45 3HD2 LEU 45 -13.759 2.154 -1.745
318 3HD2 LEU 45 1HD2 LEU 45 -12.868 1.529 -3.156
319 H SER 46 H SER 46 -10.828 -1.546 0.113
320 HA SER 46 HA SER 46 -10.133 -0.991 3.075
321 1HB SER 46 1HB SER 46 -12.535 -2.530 1.878
322 2HB SER 46 2HB SER 46 -12.137 -2.446 3.595
323 HG SER 46 HG SER 46 -12.276 -0.170 3.447
324 H PHE 47 H PHE 47 -8.137 -1.969 2.953
325 HA PHE 47 HA PHE 47 -8.061 -5.015 2.618
326 1HB PHE 47 1HB PHE 47 -7.297 -3.670 0.490
327 2HB PHE 47 2HB PHE 47 -5.935 -3.116 1.407
328 HD1 PHE 47 HD2 PHE 47 -4.317 -5.010 2.415
329 HD2 PHE 47 HD1 PHE 47 -7.261 -5.793 -0.626
330 HE1 PHE 47 HE2 PHE 47 -3.152 -7.079 1.808
331 HE2 PHE 47 HE1 PHE 47 -6.061 -7.853 -1.234
332 HZ PHE 47 HZ PHE 47 -4.010 -8.503 -0.017
333 H ALA 48 H ALA 48 -7.158 -5.898 4.303
334 HA ALA 48 HA ALA 48 -5.735 -4.282 6.437
335 1HB ALA 48 3HB ALA 48 -7.518 -5.928 7.095
336 2HB ALA 48 1HB ALA 48 -6.587 -7.268 6.380
337 3HB ALA 48 2HB ALA 48 -5.951 -6.382 7.788
338 HXT ALA 48 HO ALA 48 -3.381 -7.199 4.775
No H/Q in entry = 338
Start of MODEL 23
Raw file had 348 H/Q atoms
Start of MODEL 23
1 1H GLU 1 1H GLU 1 14.177 14.212 10.617
2 2H GLU 1 2H GLU 1 12.618 14.389 11.133
3 3H GLU 1 3H GLU 1 13.817 15.318 11.791
4 HA GLU 1 HA GLU 1 14.884 13.356 12.780
5 1HB GLU 1 1HB GLU 1 11.873 13.756 13.464
6 2HB GLU 1 2HB GLU 1 12.963 12.756 14.390
7 1HG GLU 1 1HG GLU 1 12.905 14.719 15.627
8 2HG GLU 1 2HG GLU 1 14.463 14.790 14.831
9 HE2 GLU 1 HE2 GLU 1 13.796 17.759 13.227
10 H ASP 2 H ASP 2 11.574 12.334 11.914
11 HA ASP 2 HA ASP 2 12.706 9.976 10.315
12 1HB ASP 2 1HB ASP 2 11.098 8.382 11.231
13 2HB ASP 2 2HB ASP 2 12.151 8.975 12.480
14 HD2 ASP 2 HD2 ASP 2 9.056 8.758 11.312
15 H ASN 3 H ASN 3 11.896 10.071 8.381
16 HA ASN 3 HA ASN 3 9.408 11.749 7.763
17 1HB ASN 3 1HB ASN 3 11.760 10.735 6.050
18 2HB ASN 3 2HB ASN 3 10.473 11.714 5.377
19 1HD2 ASN 3 1HD2 ASN 3 13.513 13.769 7.013
20 2HD2 ASN 3 2HD2 ASN 3 13.529 11.952 6.759
21 H CYS 4 H CYS 4 9.660 8.907 8.408
22 HA CYS 4 HA CYS 4 7.332 7.945 6.607
23 1HB CYS 4 1HB CYS 4 8.080 5.838 6.501
24 2HB CYS 4 2HB CYS 4 9.066 6.743 5.489
25 H ILE 5 H ILE 5 6.379 5.933 7.444
26 HA ILE 5 HA ILE 5 6.054 6.126 10.548
27 HB ILE 5 HB ILE 5 3.723 5.009 8.866
28 1HG1 ILE 5 1HG1 ILE 5 3.788 7.788 10.105
29 2HG1 ILE 5 2HG1 ILE 5 4.313 7.594 8.459
30 1HG2 ILE 5 2HG2 ILE 5 3.863 4.284 11.262
31 2HG2 ILE 5 3HG2 ILE 5 3.761 5.992 11.762
32 3HG2 ILE 5 1HG2 ILE 5 2.436 5.217 10.868
33 1HD1 ILE 5 3HD1 ILE 5 1.575 6.647 9.366
34 2HD1 ILE 5 1HD1 ILE 5 1.928 8.200 8.569
35 3HD1 ILE 5 2HD1 ILE 5 2.179 6.662 7.711
36 H ALA 6 H ALA 6 7.499 4.512 11.070
37 HA ALA 6 HA ALA 6 7.918 2.112 9.360
38 1HB ALA 6 2HB ALA 6 9.744 3.080 10.924
39 2HB ALA 6 3HB ALA 6 8.775 2.634 12.356
40 3HB ALA 6 1HB ALA 6 9.480 1.375 11.315
41 H GLU 7 H GLU 7 5.649 2.735 11.353
42 HA GLU 7 HA GLU 7 3.912 1.673 12.686
43 1HB GLU 7 1HB GLU 7 2.369 1.326 10.877
44 2HB GLU 7 2HB GLU 7 3.517 2.325 10.128
45 1HG GLU 7 1HG GLU 7 2.827 -0.631 9.685
46 2HG GLU 7 2HG GLU 7 2.820 0.643 8.518
47 HE1 GLU 7 HE2 GLU 7 6.193 0.364 7.647
48 H ASP 8 H ASP 8 2.548 0.371 13.040
49 HA ASP 8 HA ASP 8 1.919 -2.158 12.172
50 1HB ASP 8 1HB ASP 8 2.184 -2.738 15.089
51 2HB ASP 8 2HB ASP 8 2.230 -3.811 13.728
52 HD1 ASP 8 HD2 ASP 8 4.126 -1.711 15.579
53 H TYR 9 H TYR 9 0.191 -1.367 12.156
54 HA TYR 9 HA TYR 9 -1.668 0.413 12.255
55 1HB TYR 9 1HB TYR 9 -1.763 -0.997 15.033
56 2HB TYR 9 2HB TYR 9 -3.000 0.082 14.432
57 HD1 TYR 9 HD1 TYR 9 -4.210 -0.448 12.217
58 HD2 TYR 9 HD2 TYR 9 -1.650 -3.336 14.117
59 HE1 TYR 9 HE1 TYR 9 -5.078 -2.202 10.730
60 HE2 TYR 9 HE2 TYR 9 -2.534 -5.082 12.635
61 HH TYR 9 HH TYR 9 -4.939 -4.327 10.115
62 H GLY 10 H GLY 10 0.738 1.412 12.398
63 1HA GLY 10 1HA GLY 10 1.349 3.527 14.321
64 2HA GLY 10 2HA GLY 10 1.684 3.665 12.628
65 H LYS 11 H LYS 11 1.181 5.806 13.659
66 HA LYS 11 HA LYS 11 -1.736 6.624 12.979
67 1HB LYS 11 1HB LYS 11 -0.939 7.628 15.049
68 2HB LYS 11 2HB LYS 11 0.359 8.492 14.179
69 1HG LYS 11 1HG LYS 11 -1.393 9.746 12.890
70 2HG LYS 11 2HG LYS 11 -2.671 8.813 13.667
71 1HD LYS 11 1HD LYS 11 -2.070 9.780 15.896
72 2HD LYS 11 2HD LYS 11 -0.712 10.659 15.179
73 1HE LYS 11 1HE LYS 11 -2.302 11.974 13.716
74 2HE LYS 11 2HE LYS 11 -3.677 11.077 14.373
75 1HZ LYS 11 1HZ LYS 11 -3.177 11.958 16.550
76 2HZ LYS 11 2HZ LYS 11 -3.403 13.171 15.478
77 H CYS 12 H CYS 12 -1.954 7.643 11.457
78 HA CYS 12 HA CYS 12 0.074 8.791 9.456
79 1HB CYS 12 1HB CYS 12 -0.680 7.538 7.488
80 2HB CYS 12 2HB CYS 12 -0.410 6.324 8.701
81 H THR 13 H THR 13 -1.036 9.655 7.512
82 HA THR 13 HA THR 13 -3.906 10.544 7.927
83 HB THR 13 HB THR 13 -3.773 12.768 8.139
84 HG1 THR 13 HG1 THR 13 -2.270 14.111 7.078
85 1HG2 THR 13 2HG2 THR 13 -1.976 12.308 9.948
86 2HG2 THR 13 3HG2 THR 13 -0.704 12.496 8.708
87 3HG2 THR 13 1HG2 THR 13 -1.711 13.883 9.167
88 H TRP 14 H TRP 14 -4.813 11.131 6.096
89 HA TRP 14 HA TRP 14 -3.582 10.203 3.425
90 1HB TRP 14 1HB TRP 14 -6.472 11.048 4.074
91 2HB TRP 14 2HB TRP 14 -5.882 10.625 2.482
92 HD1 TRP 14 HD1 TRP 14 -4.217 7.881 4.466
93 HE1 TRP 14 HE1 TRP 14 -5.675 5.721 4.593
94 HE3 TRP 14 HE3 TRP 14 -8.644 10.024 2.968
95 HZ2 TRP 14 HZ2 TRP 14 -8.428 5.147 4.069
96 HZ3 TRP 14 HZ3 TRP 14 -10.656 8.597 2.824
97 HH2 TRP 14 HH2 TRP 14 -10.548 6.197 3.365
98 H GLY 15 H GLY 15 -2.252 11.719 2.866
99 1HA GLY 15 1HA GLY 15 -1.642 13.924 1.832
100 2HA GLY 15 2HA GLY 15 -2.992 14.698 2.664
101 H GLY 16 H GLY 16 -0.122 12.765 3.342
102 1HA GLY 16 1HA GLY 16 1.071 14.369 5.637
103 2HA GLY 16 2HA GLY 16 0.049 13.057 6.136
104 H THR 17 H THR 17 1.870 12.306 7.001
105 HA THR 17 HA THR 17 3.933 10.873 5.299
106 HB THR 17 HB THR 17 3.464 9.851 8.167
107 HG1 THR 17 HG1 THR 17 4.872 11.526 8.844
108 1HG2 THR 17 2HG2 THR 17 5.230 8.780 6.687
109 2HG2 THR 17 3HG2 THR 17 6.068 10.311 6.522
110 3HG2 THR 17 1HG2 THR 17 5.930 9.519 8.109
111 H LYS 18 H LYS 18 3.880 8.901 4.763
112 HA LYS 18 HA LYS 18 1.491 6.977 5.132
113 1HB LYS 18 1HB LYS 18 3.346 6.570 2.790
114 2HB LYS 18 2HB LYS 18 1.767 5.999 3.094
115 1HG LYS 18 1HG LYS 18 1.251 7.407 1.390
116 2HG LYS 18 2HG LYS 18 0.815 8.388 2.780
117 1HD LYS 18 1HD LYS 18 3.099 9.595 2.537
118 2HD LYS 18 2HD LYS 18 3.410 8.614 1.105
119 1HE LYS 18 1HE LYS 18 1.340 9.595 -0.006
120 2HE LYS 18 2HE LYS 18 1.012 10.551 1.448
121 1HZ LYS 18 1HZ LYS 18 3.121 11.673 1.144
122 2HZ LYS 18 2HZ LYS 18 2.167 11.850 -0.172
123 H CYS 19 H CYS 19 2.445 4.828 4.648
124 HA CYS 19 HA CYS 19 4.169 4.404 7.125
125 1HB CYS 19 1HB CYS 19 2.762 2.404 5.290
126 2HB CYS 19 2HB CYS 19 3.522 1.996 6.870
127 H CYS 20 H CYS 20 6.047 3.287 7.256
128 HA CYS 20 HA CYS 20 7.857 4.324 5.502
129 1HB CYS 20 1HB CYS 20 8.356 3.541 7.909
130 2HB CYS 20 2HB CYS 20 8.886 1.992 7.121
131 H ARG 21 H ARG 21 9.600 2.858 4.608
132 HA ARG 21 HA ARG 21 10.151 2.009 2.357
133 1HB ARG 21 1HB ARG 21 10.132 -0.426 4.294
134 2HB ARG 21 2HB ARG 21 10.955 -0.421 2.755
135 1HG ARG 21 1HG ARG 21 11.680 1.386 5.125
136 2HG ARG 21 2HG ARG 21 12.495 -0.090 4.674
137 1HD ARG 21 1HD ARG 21 12.388 2.463 2.923
138 2HD ARG 21 2HD ARG 21 13.721 1.998 3.981
139 1HH1 ARG 21 1HH2 ARG 21 15.412 2.424 0.344
140 2HH1 ARG 21 2HH2 ARG 21 14.471 3.000 1.810
141 1HH2 ARG 21 1HH1 ARG 21 14.283 -0.824 0.634
142 2HH2 ARG 21 2HH1 ARG 21 15.310 0.391 -0.280
143 H GLY 22 H GLY 22 7.837 2.374 2.255
144 1HA GLY 22 1HA GLY 22 6.223 2.200 0.355
145 2HA GLY 22 2HA GLY 22 6.919 0.672 -0.073
146 H ARG 23 H ARG 23 5.211 1.942 2.647
147 HA ARG 23 HA ARG 23 3.197 -0.418 2.521
148 1HB ARG 23 1HB ARG 23 4.482 1.049 4.875
149 2HB ARG 23 2HB ARG 23 2.904 0.306 5.078
150 1HG ARG 23 1HG ARG 23 4.663 -0.913 6.019
151 2HG ARG 23 2HG ARG 23 3.633 -1.836 4.953
152 1HD ARG 23 1HD ARG 23 5.379 -2.108 3.278
153 2HD ARG 23 2HD ARG 23 6.356 -0.807 3.915
154 1HH1 ARG 23 2HH2 ARG 23 7.374 -0.414 5.816
155 2HH1 ARG 23 1HH2 ARG 23 8.492 -1.187 7.049
156 1HH2 ARG 23 1HH1 ARG 23 7.440 -4.388 6.315
157 2HH2 ARG 23 2HH1 ARG 23 8.525 -3.292 7.310
158 HA PRO 24 HA PRO 24 -0.061 2.842 2.220
159 1HB PRO 24 1HB PRO 24 -2.274 1.234 2.016
160 2HB PRO 24 2HB PRO 24 -0.979 1.148 0.811
161 1HG PRO 24 1HG PRO 24 -1.372 -0.670 3.249
162 2HG PRO 24 2HG PRO 24 -1.163 -1.180 1.565
163 1HD PRO 24 1HD PRO 24 0.961 -1.033 3.360
164 2HD PRO 24 2HD PRO 24 1.173 -0.712 1.608
165 H CYS 25 H CYS 25 -2.084 3.505 3.151
166 HA CYS 25 HA CYS 25 -2.426 3.005 6.151
167 1HB CYS 25 1HB CYS 25 -1.159 4.931 6.304
168 2HB CYS 25 2HB CYS 25 -1.652 5.561 4.729
169 H ARG 26 H ARG 26 -4.445 3.454 6.950
170 HA ARG 26 HA ARG 26 -6.803 3.867 5.142
171 1HB ARG 26 1HB ARG 26 -7.927 1.751 5.854
172 2HB ARG 26 2HB ARG 26 -6.583 1.495 4.768
173 1HG ARG 26 1HG ARG 26 -5.143 0.643 6.614
174 2HG ARG 26 2HG ARG 26 -6.351 1.061 7.811
175 1HD ARG 26 1HD ARG 26 -6.479 -1.297 7.497
176 2HD ARG 26 2HD ARG 26 -7.968 -0.595 6.862
177 1HH1 ARG 26 2HH2 ARG 26 -7.804 -3.038 6.898
178 2HH1 ARG 26 1HH2 ARG 26 -7.827 -4.373 5.640
179 1HH2 ARG 26 1HH1 ARG 26 -6.259 -2.452 3.251
180 2HH2 ARG 26 2HH1 ARG 26 -7.011 -4.061 3.714
181 H CYS 27 H CYS 27 -8.200 5.056 6.373
182 HA CYS 27 HA CYS 27 -7.227 5.871 8.932
183 1HB CYS 27 1HB CYS 27 -10.000 6.540 7.781
184 2HB CYS 27 2HB CYS 27 -9.215 7.407 9.056
185 H SER 28 H SER 28 -8.700 6.180 10.847
186 HA SER 28 HA SER 28 -9.355 3.636 12.153
187 1HB SER 28 1HB SER 28 -8.520 6.039 13.085
188 2HB SER 28 2HB SER 28 -10.249 6.400 13.197
189 HG SER 28 HG SER 28 -8.890 4.179 14.314
190 H MET 29 H MET 29 -11.337 4.073 13.668
191 HA MET 29 HA MET 29 -13.532 2.641 12.230
192 1HB MET 29 1HB MET 29 -14.512 2.397 14.472
193 2HB MET 29 2HB MET 29 -12.781 2.119 14.521
194 1HG MET 29 1HG MET 29 -12.473 4.429 15.582
195 2HG MET 29 2HG MET 29 -14.244 4.504 15.721
196 1HE MET 29 2HE MET 29 -13.892 4.804 18.385
197 2HE MET 29 1HE MET 29 -12.996 3.624 19.388
198 3HE MET 29 3HE MET 29 -12.120 4.623 18.191
199 H ILE 30 H ILE 30 -13.353 5.698 13.737
200 HA ILE 30 HA ILE 30 -16.129 6.687 12.899
201 HB ILE 30 HB ILE 30 -13.718 8.224 14.133
202 1HG1 ILE 30 1HG1 ILE 30 -16.476 7.601 15.427
203 2HG1 ILE 30 2HG1 ILE 30 -15.140 6.493 15.576
204 1HG2 ILE 30 3HG2 ILE 30 -16.599 9.264 13.551
205 2HG2 ILE 30 1HG2 ILE 30 -15.365 10.145 14.485
206 3HG2 ILE 30 2HG2 ILE 30 -15.107 9.839 12.772
207 1HD1 ILE 30 3HD1 ILE 30 -13.710 8.226 16.696
208 2HD1 ILE 30 1HD1 ILE 30 -15.075 9.374 16.638
209 3HD1 ILE 30 2HD1 ILE 30 -15.214 7.873 17.580
210 H GLY 31 H GLY 31 -12.796 7.569 12.019
211 1HA GLY 31 1HA GLY 31 -12.713 7.666 9.227
212 2HA GLY 31 2HA GLY 31 -13.784 9.033 9.517
213 H THR 32 H THR 32 -12.568 10.084 11.800
214 HA THR 32 HA THR 32 -10.083 11.420 10.613
215 HB THR 32 HB THR 32 -10.185 12.929 12.623
216 HG1 THR 32 HG1 THR 32 -11.327 11.486 13.987
217 1HG2 THR 32 2HG2 THR 32 -11.398 13.626 10.505
218 2HG2 THR 32 3HG2 THR 32 -12.886 12.831 11.083
219 3HG2 THR 32 1HG2 THR 32 -12.226 14.232 11.957
220 H ASN 33 H ASN 33 -8.208 11.551 11.784
221 HA ASN 33 HA ASN 33 -6.336 10.887 13.068
222 1HB ASN 33 1HB ASN 33 -8.224 10.658 15.046
223 2HB ASN 33 2HB ASN 33 -8.058 8.962 14.808
224 1HD2 ASN 33 1HD2 ASN 33 -4.793 8.868 16.419
225 2HD2 ASN 33 2HD2 ASN 33 -5.976 7.974 15.339
226 H CYS 34 H CYS 34 -6.459 9.927 10.762
227 HA CYS 34 HA CYS 34 -7.071 7.238 10.239
228 1HB CYS 34 1HB CYS 34 -4.822 8.729 8.820
229 2HB CYS 34 2HB CYS 34 -5.606 7.302 8.205
230 H GLU 35 H GLU 35 -5.706 5.313 9.830
231 HA GLU 35 HA GLU 35 -3.100 5.214 11.483
232 1HB GLU 35 1HB GLU 35 -4.854 2.727 11.360
233 2HB GLU 35 2HB GLU 35 -3.495 3.009 12.335
234 1HG GLU 35 1HG GLU 35 -4.490 4.533 13.850
235 2HG GLU 35 2HG GLU 35 -5.990 4.642 12.920
236 HE2 GLU 35 HE2 GLU 35 -7.424 1.877 14.319
237 H CYS 36 H CYS 36 -2.101 3.141 11.039
238 HA CYS 36 HA CYS 36 -1.533 2.864 8.024
239 1HB CYS 36 1HB CYS 36 0.402 3.500 9.597
240 2HB CYS 36 2HB CYS 36 0.251 1.891 10.357
241 H THR 37 H THR 37 -1.156 0.682 7.248
242 HA THR 37 HA THR 37 -2.155 -1.639 8.986
243 HB THR 37 HB THR 37 -3.955 -1.373 7.542
244 HG1 THR 37 HG1 THR 37 -3.886 -3.353 6.484
245 1HG2 THR 37 2HG2 THR 37 -2.889 -0.132 5.506
246 2HG2 THR 37 3HG2 THR 37 -2.062 -1.656 5.073
247 3HG2 THR 37 1HG2 THR 37 -3.830 -1.551 5.000
248 HA PRO 38 HA PRO 38 2.155 -2.568 7.840
249 1HB PRO 38 1HB PRO 38 2.561 -4.830 9.362
250 2HB PRO 38 2HB PRO 38 2.288 -3.229 10.061
251 1HG PRO 38 1HG PRO 38 0.255 -5.485 9.724
252 2HG PRO 38 2HG PRO 38 0.533 -4.464 11.155
253 1HD PRO 38 1HD PRO 38 -1.508 -3.960 9.267
254 2HD PRO 38 2HD PRO 38 -0.767 -2.671 10.235
255 H ARG 39 H ARG 39 2.283 -2.938 5.732
256 HA ARG 39 HA ARG 39 1.483 -5.643 4.515
257 1HB ARG 39 1HB ARG 39 0.616 -3.492 3.493
258 2HB ARG 39 2HB ARG 39 2.271 -2.975 3.193
259 1HG ARG 39 1HG ARG 39 2.558 -5.087 1.714
260 2HG ARG 39 2HG ARG 39 0.834 -5.398 1.922
261 1HD ARG 39 1HD ARG 39 0.268 -3.210 0.854
262 2HD ARG 39 2HD ARG 39 1.947 -2.714 0.833
263 1HH1 ARG 39 2HH2 ARG 39 3.736 -3.314 0.044
264 2HH1 ARG 39 1HH2 ARG 39 4.532 -3.826 -1.527
265 1HH2 ARG 39 1HH1 ARG 39 1.643 -5.194 -2.808
266 2HH2 ARG 39 2HH1 ARG 39 3.424 -4.815 -3.028
267 H LEU 40 H LEU 40 3.189 -6.792 5.421
268 HA LEU 40 HA LEU 40 5.869 -6.492 3.920
269 1HB LEU 40 1HB LEU 40 6.975 -7.710 5.752
270 2HB LEU 40 2HB LEU 40 6.533 -6.086 6.149
271 HG LEU 40 HG LEU 40 4.659 -8.311 7.090
272 1HD1 LEU 40 1HD1 LEU 40 6.909 -9.178 7.699
273 2HD1 LEU 40 2HD1 LEU 40 7.320 -7.638 8.496
274 3HD1 LEU 40 3HD1 LEU 40 6.022 -8.671 9.149
275 1HD2 LEU 40 3HD2 LEU 40 4.017 -5.903 7.551
276 2HD2 LEU 40 1HD2 LEU 40 4.291 -6.814 9.040
277 3HD2 LEU 40 2HD2 LEU 40 5.528 -5.674 8.453
278 H ILE 41 H ILE 41 4.852 -7.563 2.311
279 HA ILE 41 HA ILE 41 3.424 -9.026 1.113
280 HB ILE 41 HB ILE 41 4.225 -11.504 1.074
281 1HG1 ILE 41 1HG1 ILE 41 6.512 -10.629 2.959
282 2HG1 ILE 41 2HG1 ILE 41 5.126 -11.555 3.506
283 1HG2 ILE 41 3HG2 ILE 41 5.166 -9.649 -0.425
284 2HG2 ILE 41 1HG2 ILE 41 6.450 -9.335 0.768
285 3HG2 ILE 41 2HG2 ILE 41 6.373 -10.893 -0.086
286 1HD1 ILE 41 1HD1 ILE 41 5.668 -13.422 1.910
287 2HD1 ILE 41 2HD1 ILE 41 7.126 -12.536 1.388
288 3HD1 ILE 41 3HD1 ILE 41 6.974 -13.086 3.070
289 H MET 42 H MET 42 1.792 -8.294 2.603
290 HA MET 42 HA MET 42 0.358 -10.655 3.977
291 1HB MET 42 1HB MET 42 0.486 -7.743 5.022
292 2HB MET 42 2HB MET 42 -0.666 -8.950 5.568
293 1HG MET 42 1HG MET 42 1.264 -10.454 6.303
294 2HG MET 42 2HG MET 42 2.382 -9.128 5.915
295 1HE MET 42 2HE MET 42 1.890 -10.587 8.837
296 2HE MET 42 1HE MET 42 3.156 -9.351 8.572
297 3HE MET 42 3HE MET 42 1.998 -9.169 9.920
298 H GLU 43 H GLU 43 -0.679 -11.004 2.073
299 HA GLU 43 HA GLU 43 -3.125 -9.441 1.463
300 1HB GLU 43 1HB GLU 43 -2.589 -8.815 -0.880
301 2HB GLU 43 2HB GLU 43 -1.573 -7.966 0.255
302 1HG GLU 43 1HG GLU 43 0.371 -9.523 -0.316
303 2HG GLU 43 2HG GLU 43 -0.660 -10.358 -1.476
304 HE1 GLU 43 HE2 GLU 43 0.789 -6.644 -2.224
305 H GLY 44 H GLY 44 -4.512 -10.565 0.149
306 1HA GLY 44 1HA GLY 44 -4.131 -13.502 -0.309
307 2HA GLY 44 2HA GLY 44 -5.540 -12.562 -0.757
308 H LEU 45 H LEU 45 -5.352 -11.169 -2.685
309 HA LEU 45 HA LEU 45 -3.075 -11.735 -4.606
310 1HB LEU 45 1HB LEU 45 -4.879 -13.479 -5.093
311 2HB LEU 45 2HB LEU 45 -6.035 -12.195 -5.377
312 HG LEU 45 HG LEU 45 -4.592 -11.386 -7.333
313 1HD1 LEU 45 1HD1 LEU 45 -2.997 -13.996 -6.849
314 2HD1 LEU 45 2HD1 LEU 45 -2.870 -12.957 -8.291
315 3HD1 LEU 45 3HD1 LEU 45 -2.362 -12.337 -6.713
316 1HD2 LEU 45 1HD2 LEU 45 -6.590 -12.835 -7.700
317 2HD2 LEU 45 2HD2 LEU 45 -5.321 -13.199 -8.884
318 3HD2 LEU 45 3HD2 LEU 45 -5.595 -14.301 -7.511
319 H SER 46 H SER 46 -2.410 -9.816 -5.042
320 HA SER 46 HA SER 46 -2.184 -7.602 -5.838
321 1HB SER 46 1HB SER 46 -5.177 -7.828 -6.687
322 2HB SER 46 2HB SER 46 -4.042 -6.581 -7.192
323 HG SER 46 HG SER 46 -4.229 -8.274 -8.677
324 H PHE 47 H PHE 47 -1.854 -6.213 -4.304
325 HA PHE 47 HA PHE 47 -4.102 -4.677 -3.012
326 1HB PHE 47 1HB PHE 47 -3.785 -6.580 -1.407
327 2HB PHE 47 2HB PHE 47 -2.063 -6.300 -1.354
328 HD1 PHE 47 HD2 PHE 47 -5.195 -4.153 -0.825
329 HD2 PHE 47 HD1 PHE 47 -1.345 -5.354 0.682
330 HE1 PHE 47 HE2 PHE 47 -5.456 -2.633 1.090
331 HE2 PHE 47 HE1 PHE 47 -1.638 -3.843 2.600
332 HZ PHE 47 HZ PHE 47 -3.680 -2.469 2.799
333 H ALA 48 H ALA 48 -3.541 -2.644 -2.968
334 HA ALA 48 HA ALA 48 -0.629 -1.715 -3.249
335 1HB ALA 48 1HB ALA 48 -3.265 -0.109 -3.543
336 2HB ALA 48 2HB ALA 48 -1.616 0.529 -3.751
337 3HB ALA 48 3HB ALA 48 -2.234 -0.696 -4.874
338 HXT ALA 48 HO ALA 48 -0.343 -0.814 0.007
No H/Q in entry = 338
Start of MODEL 24
Raw file had 348 H/Q atoms
Start of MODEL 24
1 1H GLU 1 1H GLU 1 11.443 14.502 4.754
2 2H GLU 1 2H GLU 1 12.654 15.581 5.071
3 3H GLU 1 3H GLU 1 11.942 15.553 3.581
4 HA GLU 1 HA GLU 1 12.801 13.332 3.116
5 1HB GLU 1 1HB GLU 1 14.933 15.395 4.026
6 2HB GLU 1 2HB GLU 1 15.320 13.948 3.124
7 1HG GLU 1 1HG GLU 1 13.513 16.219 2.077
8 2HG GLU 1 2HG GLU 1 15.216 16.018 1.722
9 HE2 GLU 1 HE2 GLU 1 12.431 13.913 -0.245
10 H ASP 2 H ASP 2 13.017 11.509 4.116
11 HA ASP 2 HA ASP 2 13.403 9.760 5.669
12 1HB ASP 2 1HB ASP 2 15.822 10.626 5.301
13 2HB ASP 2 2HB ASP 2 15.682 11.597 6.753
14 HD2 ASP 2 HD2 ASP 2 15.756 10.667 8.607
15 H ASN 3 H ASN 3 11.464 9.886 6.715
16 HA ASN 3 HA ASN 3 11.379 9.992 9.449
17 1HB ASN 3 1HB ASN 3 9.863 11.764 10.059
18 2HB ASN 3 2HB ASN 3 11.474 12.355 9.787
19 1HD2 ASN 3 1HD2 ASN 3 10.466 14.671 7.167
20 2HD2 ASN 3 2HD2 ASN 3 11.865 13.705 7.857
21 H CYS 4 H CYS 4 10.507 8.375 8.726
22 HA CYS 4 HA CYS 4 7.838 8.119 7.200
23 1HB CYS 4 1HB CYS 4 8.388 5.906 6.998
24 2HB CYS 4 2HB CYS 4 9.543 6.825 6.160
25 H ILE 5 H ILE 5 6.627 6.013 7.741
26 HA ILE 5 HA ILE 5 5.988 6.002 10.808
27 HB ILE 5 HB ILE 5 3.851 5.218 8.715
28 1HG1 ILE 5 1HG1 ILE 5 4.055 7.737 10.367
29 2HG1 ILE 5 2HG1 ILE 5 4.452 7.652 8.662
30 1HG2 ILE 5 2HG2 ILE 5 3.655 4.015 10.965
31 2HG2 ILE 5 3HG2 ILE 5 3.519 5.605 11.762
32 3HG2 ILE 5 1HG2 ILE 5 2.315 5.051 10.594
33 1HD1 ILE 5 2HD1 ILE 5 1.725 7.015 9.802
34 2HD1 ILE 5 3HD1 ILE 5 2.183 8.522 8.999
35 3HD1 ILE 5 1HD1 ILE 5 2.171 6.993 8.072
36 H ALA 6 H ALA 6 7.388 4.358 11.291
37 HA ALA 6 HA ALA 6 7.791 2.050 9.368
38 1HB ALA 6 2HB ALA 6 9.744 3.045 10.707
39 2HB ALA 6 3HB ALA 6 8.973 2.539 12.236
40 3HB ALA 6 1HB ALA 6 9.559 1.322 11.077
41 H GLU 7 H GLU 7 5.404 2.564 11.159
42 HA GLU 7 HA GLU 7 4.878 -0.229 12.290
43 1HB GLU 7 1HB GLU 7 3.937 2.571 13.207
44 2HB GLU 7 2HB GLU 7 3.325 1.099 13.926
45 1HG GLU 7 1HG GLU 7 5.626 0.452 14.712
46 2HG GLU 7 2HG GLU 7 6.293 1.926 14.018
47 HE1 GLU 7 HE2 GLU 7 5.068 4.073 16.440
48 H ASP 8 H ASP 8 3.299 -1.339 12.221
49 HA ASP 8 HA ASP 8 0.988 -0.839 10.312
50 1HB ASP 8 1HB ASP 8 1.257 -3.146 12.254
51 2HB ASP 8 2HB ASP 8 0.111 -2.972 10.952
52 HD2 ASP 8 HD2 ASP 8 2.313 -4.778 11.595
53 H TYR 9 H TYR 9 -0.735 -0.231 11.079
54 HA TYR 9 HA TYR 9 -2.316 1.209 12.286
55 1HB TYR 9 1HB TYR 9 -1.542 -0.538 14.744
56 2HB TYR 9 2HB TYR 9 -3.018 0.362 14.521
57 HD1 TYR 9 HD2 TYR 9 -4.499 -0.291 12.333
58 HD2 TYR 9 HD1 TYR 9 -1.466 -2.849 14.002
59 HE1 TYR 9 HE2 TYR 9 -5.268 -2.153 10.919
60 HE2 TYR 9 HE1 TYR 9 -2.249 -4.693 12.585
61 HH TYR 9 HH TYR 9 -4.956 -4.255 10.313
62 H GLY 10 H GLY 10 0.514 2.059 12.128
63 1HA GLY 10 1HA GLY 10 0.998 3.941 14.452
64 2HA GLY 10 2HA GLY 10 1.910 3.950 13.032
65 H LYS 11 H LYS 11 0.840 5.998 14.149
66 HA LYS 11 HA LYS 11 -1.760 6.867 12.857
67 1HB LYS 11 1HB LYS 11 0.105 8.899 14.141
68 2HB LYS 11 2HB LYS 11 -1.590 9.061 13.830
69 1HG LYS 11 1HG LYS 11 -2.140 7.252 15.506
70 2HG LYS 11 2HG LYS 11 -0.432 7.140 15.937
71 1HD LYS 11 1HD LYS 11 -0.428 9.568 16.614
72 2HD LYS 11 2HD LYS 11 -2.128 9.718 16.198
73 1HE LYS 11 1HE LYS 11 -1.015 7.803 18.370
74 2HE LYS 11 2HE LYS 11 -1.632 9.423 18.684
75 1HZ LYS 11 1HZ LYS 11 -3.212 7.185 17.554
76 2HZ LYS 11 2HZ LYS 11 -3.286 7.734 19.092
77 H CYS 12 H CYS 12 -1.962 7.756 11.203
78 HA CYS 12 HA CYS 12 0.147 9.063 9.386
79 1HB CYS 12 1HB CYS 12 -0.547 7.637 7.411
80 2HB CYS 12 2HB CYS 12 0.018 6.602 8.693
81 H THR 13 H THR 13 -0.897 9.752 7.316
82 HA THR 13 HA THR 13 -3.865 10.342 7.407
83 HB THR 13 HB THR 13 -3.982 12.597 7.514
84 HG1 THR 13 HG1 THR 13 -1.420 12.867 6.326
85 1HG2 THR 13 2HG2 THR 13 -2.460 12.342 9.592
86 2HG2 THR 13 3HG2 THR 13 -1.031 12.622 8.556
87 3HG2 THR 13 1HG2 THR 13 -2.215 13.917 8.802
88 H TRP 14 H TRP 14 -4.654 10.826 5.465
89 HA TRP 14 HA TRP 14 -3.054 10.063 2.945
90 1HB TRP 14 1HB TRP 14 -6.078 10.573 3.354
91 2HB TRP 14 2HB TRP 14 -5.344 10.456 1.768
92 HD1 TRP 14 HD1 TRP 14 -6.158 8.227 4.850
93 HE1 TRP 14 HE1 TRP 14 -5.806 5.661 4.338
94 HE3 TRP 14 HE3 TRP 14 -4.038 8.858 0.256
95 HZ2 TRP 14 HZ2 TRP 14 -4.653 4.255 2.120
96 HZ3 TRP 14 HZ3 TRP 14 -3.314 6.861 -1.012
97 HH2 TRP 14 HH2 TRP 14 -3.620 4.597 -0.092
98 H GLY 15 H GLY 15 -1.776 11.639 2.579
99 1HA GLY 15 1HA GLY 15 -1.183 13.892 1.606
100 2HA GLY 15 2HA GLY 15 -2.617 14.593 2.361
101 H GLY 16 H GLY 16 0.182 12.640 3.254
102 1HA GLY 16 1HA GLY 16 1.183 14.219 5.672
103 2HA GLY 16 2HA GLY 16 0.147 12.877 6.037
104 H THR 17 H THR 17 1.994 12.178 7.034
105 HA THR 17 HA THR 17 4.082 10.715 5.360
106 HB THR 17 HB THR 17 3.694 9.819 8.280
107 HG1 THR 17 HG1 THR 17 5.074 11.552 8.856
108 1HG2 THR 17 2HG2 THR 17 5.446 8.706 6.840
109 2HG2 THR 17 3HG2 THR 17 6.227 10.257 6.537
110 3HG2 THR 17 1HG2 THR 17 6.164 9.578 8.181
111 H LYS 18 H LYS 18 4.035 8.665 4.944
112 HA LYS 18 HA LYS 18 1.686 6.770 5.610
113 1HB LYS 18 1HB LYS 18 3.249 6.309 3.082
114 2HB LYS 18 2HB LYS 18 1.717 5.714 3.559
115 1HG LYS 18 1HG LYS 18 2.216 8.537 2.488
116 2HG LYS 18 2HG LYS 18 1.438 7.205 1.664
117 1HD LYS 18 1HD LYS 18 0.346 8.830 4.024
118 2HD LYS 18 2HD LYS 18 -0.252 8.817 2.386
119 1HE LYS 18 1HE LYS 18 -0.505 6.530 4.448
120 2HE LYS 18 2HE LYS 18 -1.785 7.610 3.905
121 1HZ LYS 18 1HZ LYS 18 -1.878 5.470 2.824
122 2HZ LYS 18 2HZ LYS 18 -0.370 5.628 2.213
123 H CYS 19 H CYS 19 2.592 4.612 5.053
124 HA CYS 19 HA CYS 19 4.635 4.329 7.237
125 1HB CYS 19 1HB CYS 19 2.742 2.318 6.017
126 2HB CYS 19 2HB CYS 19 4.199 1.669 6.789
127 H CYS 20 H CYS 20 6.371 3.489 7.203
128 HA CYS 20 HA CYS 20 8.177 4.591 5.738
129 1HB CYS 20 1HB CYS 20 8.414 3.460 7.998
130 2HB CYS 20 2HB CYS 20 8.929 1.964 7.219
131 H ARG 21 H ARG 21 7.478 1.144 5.362
132 HA ARG 21 HA ARG 21 9.499 0.738 3.091
133 1HB ARG 21 1HB ARG 21 7.847 -1.309 4.773
134 2HB ARG 21 2HB ARG 21 8.940 -1.780 3.486
135 1HG ARG 21 1HG ARG 21 10.908 -0.850 4.688
136 2HG ARG 21 2HG ARG 21 9.876 -0.316 6.019
137 1HD ARG 21 1HD ARG 21 9.167 -2.712 6.453
138 2HD ARG 21 2HD ARG 21 10.205 -3.260 5.124
139 1HH1 ARG 21 2HH2 ARG 21 10.318 -4.808 7.045
140 2HH1 ARG 21 1HH2 ARG 21 11.589 -5.338 8.258
141 1HH2 ARG 21 1HH1 ARG 21 13.191 -2.282 8.233
142 2HH2 ARG 21 2HH1 ARG 21 13.114 -3.994 8.887
143 H GLY 22 H GLY 22 7.152 2.053 2.816
144 1HA GLY 22 1HA GLY 22 5.674 2.590 0.851
145 2HA GLY 22 2HA GLY 22 6.260 1.150 0.065
146 H ARG 23 H ARG 23 4.580 1.879 2.948
147 HA ARG 23 HA ARG 23 2.516 -0.337 2.477
148 1HB ARG 23 1HB ARG 23 3.870 0.786 4.941
149 2HB ARG 23 2HB ARG 23 2.384 -0.118 5.140
150 1HG ARG 23 1HG ARG 23 5.049 -1.096 3.954
151 2HG ARG 23 2HG ARG 23 4.452 -1.388 5.583
152 1HD ARG 23 1HD ARG 23 2.477 -2.691 4.643
153 2HD ARG 23 2HD ARG 23 3.087 -2.450 3.008
154 1HH1 ARG 23 2HH2 ARG 23 5.054 -2.845 2.037
155 2HH1 ARG 23 1HH2 ARG 23 6.282 -4.186 1.790
156 1HH2 ARG 23 1HH1 ARG 23 5.485 -5.749 4.760
157 2HH2 ARG 23 2HH1 ARG 23 6.510 -5.727 3.237
158 HA PRO 24 HA PRO 24 -0.480 3.172 2.474
159 1HB PRO 24 1HB PRO 24 -2.773 1.779 1.829
160 2HB PRO 24 2HB PRO 24 -1.433 1.935 0.689
161 1HG PRO 24 1HG PRO 24 -2.005 -0.425 2.570
162 2HG PRO 24 2HG PRO 24 -1.731 -0.489 0.812
163 1HD PRO 24 1HD PRO 24 0.310 -0.933 2.620
164 2HD PRO 24 2HD PRO 24 0.624 -0.101 1.061
165 H CYS 25 H CYS 25 -2.810 3.442 3.357
166 HA CYS 25 HA CYS 25 -2.839 2.653 6.324
167 1HB CYS 25 1HB CYS 25 -2.724 5.368 5.058
168 2HB CYS 25 2HB CYS 25 -4.019 5.196 6.278
169 H ARG 26 H ARG 26 -4.723 2.517 7.281
170 HA ARG 26 HA ARG 26 -7.324 2.545 5.740
171 1HB ARG 26 1HB ARG 26 -6.504 0.075 6.160
172 2HB ARG 26 2HB ARG 26 -6.722 0.385 7.865
173 1HG ARG 26 1HG ARG 26 -8.712 -0.695 7.200
174 2HG ARG 26 2HG ARG 26 -9.204 0.991 7.332
175 1HD ARG 26 1HD ARG 26 -8.934 1.224 4.786
176 2HD ARG 26 2HD ARG 26 -8.452 -0.481 4.708
177 1HH1 ARG 26 2HH2 ARG 26 -9.725 0.398 2.819
178 2HH1 ARG 26 1HH2 ARG 26 -11.344 0.010 2.048
179 1HH2 ARG 26 1HH1 ARG 26 -12.815 -0.856 5.040
180 2HH2 ARG 26 2HH1 ARG 26 -12.974 -0.651 3.223
181 H CYS 27 H CYS 27 -8.431 4.127 6.762
182 HA CYS 27 HA CYS 27 -7.171 5.426 8.981
183 1HB CYS 27 1HB CYS 27 -9.990 6.038 7.892
184 2HB CYS 27 2HB CYS 27 -9.028 7.112 8.856
185 H SER 28 H SER 28 -8.381 6.261 10.887
186 HA SER 28 HA SER 28 -9.206 4.095 12.746
187 1HB SER 28 1HB SER 28 -7.767 6.323 13.089
188 2HB SER 28 2HB SER 28 -9.342 7.132 13.247
189 HG SER 28 HG SER 28 -8.464 6.427 15.197
190 H MET 29 H MET 29 -10.842 5.320 14.316
191 HA MET 29 HA MET 29 -13.377 3.976 13.546
192 1HB MET 29 1HB MET 29 -14.087 4.530 15.824
193 2HB MET 29 2HB MET 29 -12.408 4.017 15.821
194 1HG MET 29 1HG MET 29 -11.703 6.458 16.135
195 2HG MET 29 2HG MET 29 -13.428 6.834 16.353
196 1HE MET 29 2HE MET 29 -13.013 7.803 18.779
197 2HE MET 29 1HE MET 29 -12.136 6.915 20.060
198 3HE MET 29 3HE MET 29 -11.261 7.472 18.603
199 H ILE 30 H ILE 30 -12.595 7.249 14.005
200 HA ILE 30 HA ILE 30 -15.344 8.399 13.260
201 HB ILE 30 HB ILE 30 -12.610 9.834 13.673
202 1HG1 ILE 30 1HG1 ILE 30 -15.193 9.998 15.399
203 2HG1 ILE 30 2HG1 ILE 30 -13.935 8.838 15.732
204 1HG2 ILE 30 3HG2 ILE 30 -15.410 11.097 13.138
205 2HG2 ILE 30 1HG2 ILE 30 -13.952 12.008 13.605
206 3HG2 ILE 30 2HG2 ILE 30 -14.004 11.185 12.051
207 1HD1 ILE 30 1HD1 ILE 30 -12.236 10.664 16.080
208 2HD1 ILE 30 2HD1 ILE 30 -13.524 11.878 15.852
209 3HD1 ILE 30 3HD1 ILE 30 -13.609 10.735 17.209
210 H GLY 31 H GLY 31 -12.123 8.550 11.768
211 1HA GLY 31 1HA GLY 31 -12.411 7.822 9.081
212 2HA GLY 31 2HA GLY 31 -13.364 9.299 9.067
213 H THR 32 H THR 32 -11.868 10.883 10.745
214 HA THR 32 HA THR 32 -9.405 11.538 9.030
215 HB THR 32 HB THR 32 -9.252 13.656 10.361
216 HG1 THR 32 HG1 THR 32 -11.801 12.815 11.338
217 1HG2 THR 32 2HG2 THR 32 -10.519 13.675 8.161
218 2HG2 THR 32 3HG2 THR 32 -12.036 13.298 9.018
219 3HG2 THR 32 1HG2 THR 32 -11.205 14.843 9.312
220 H ASN 33 H ASN 33 -7.467 11.835 9.998
221 HA ASN 33 HA ASN 33 -5.541 11.319 11.297
222 1HB ASN 33 1HB ASN 33 -7.496 10.779 13.666
223 2HB ASN 33 2HB ASN 33 -5.774 10.637 13.757
224 1HD2 ASN 33 1HD2 ASN 33 -5.249 14.199 14.045
225 2HD2 ASN 33 2HD2 ASN 33 -4.483 12.560 13.737
226 H CYS 34 H CYS 34 -5.907 9.769 9.582
227 HA CYS 34 HA CYS 34 -6.878 7.081 9.921
228 1HB CYS 34 1HB CYS 34 -4.606 7.985 8.069
229 2HB CYS 34 2HB CYS 34 -5.511 6.504 7.878
230 H GLU 35 H GLU 35 -5.539 5.041 9.758
231 HA GLU 35 HA GLU 35 -2.813 5.228 11.187
232 1HB GLU 35 1HB GLU 35 -4.346 2.701 11.825
233 2HB GLU 35 2HB GLU 35 -3.089 3.505 12.671
234 1HG GLU 35 1HG GLU 35 -4.601 5.265 13.571
235 2HG GLU 35 2HG GLU 35 -5.979 4.532 12.751
236 HE2 GLU 35 HE2 GLU 35 -6.427 1.978 15.004
237 H CYS 36 H CYS 36 -1.771 3.026 11.021
238 HA CYS 36 HA CYS 36 -1.397 2.571 8.012
239 1HB CYS 36 1HB CYS 36 0.442 2.198 10.485
240 2HB CYS 36 2HB CYS 36 0.829 1.253 9.150
241 H THR 37 H THR 37 -0.963 0.426 7.191
242 HA THR 37 HA THR 37 -2.139 -1.905 8.754
243 HB THR 37 HB THR 37 -4.068 -1.036 7.654
244 HG1 THR 37 HG1 THR 37 -4.596 -2.783 6.306
245 1HG2 THR 37 3HG2 THR 37 -2.608 -1.278 4.890
246 2HG2 THR 37 1HG2 THR 37 -4.331 -0.884 5.113
247 3HG2 THR 37 2HG2 THR 37 -3.096 0.257 5.656
248 HA PRO 38 HA PRO 38 1.332 -4.007 6.717
249 1HB PRO 38 1HB PRO 38 0.606 -6.676 7.266
250 2HB PRO 38 2HB PRO 38 1.228 -5.551 8.469
251 1HG PRO 38 1HG PRO 38 -1.665 -6.332 7.924
252 2HG PRO 38 2HG PRO 38 -0.850 -6.165 9.500
253 1HD PRO 38 1HD PRO 38 -2.458 -4.163 8.433
254 2HD PRO 38 2HD PRO 38 -1.130 -3.759 9.460
255 H ARG 39 H ARG 39 1.925 -5.322 5.028
256 HA ARG 39 HA ARG 39 1.935 -6.215 2.847
257 1HB ARG 39 1HB ARG 39 -0.322 -7.414 3.755
258 2HB ARG 39 2HB ARG 39 -1.170 -6.305 2.709
259 1HG ARG 39 1HG ARG 39 1.012 -8.320 1.836
260 2HG ARG 39 2HG ARG 39 -0.716 -8.633 1.841
261 1HD ARG 39 1HD ARG 39 -1.041 -6.719 0.155
262 2HD ARG 39 2HD ARG 39 0.724 -6.569 0.067
263 1HH1 ARG 39 2HH2 ARG 39 0.066 -6.190 -2.033
264 2HH1 ARG 39 1HH2 ARG 39 0.139 -7.006 -3.675
265 1HH2 ARG 39 1HH1 ARG 39 0.002 -10.181 -2.354
266 2HH2 ARG 39 2HH1 ARG 39 0.105 -9.112 -3.842
267 H LEU 40 H LEU 40 2.336 -5.018 1.131
268 HA LEU 40 HA LEU 40 1.466 -2.198 0.837
269 1HB LEU 40 1HB LEU 40 2.940 -2.232 -1.155
270 2HB LEU 40 2HB LEU 40 3.687 -2.945 0.228
271 HG LEU 40 HG LEU 40 3.100 -5.298 -0.845
272 1HD1 LEU 40 1HD1 LEU 40 2.821 -3.522 -3.367
273 2HD1 LEU 40 2HD1 LEU 40 3.006 -5.295 -3.365
274 3HD1 LEU 40 3HD1 LEU 40 1.557 -4.562 -2.673
275 1HD2 LEU 40 1HD2 LEU 40 5.413 -4.390 -0.637
276 2HD2 LEU 40 2HD2 LEU 40 5.210 -5.242 -2.177
277 3HD2 LEU 40 3HD2 LEU 40 5.213 -3.460 -2.142
278 H ILE 41 H ILE 41 0.830 -1.448 -1.482
279 HA ILE 41 HA ILE 41 -2.017 -2.047 -1.671
280 HB ILE 41 HB ILE 41 -1.954 -0.601 -3.861
281 1HG1 ILE 41 1HG1 ILE 41 0.983 0.003 -3.100
282 2HG1 ILE 41 2HG1 ILE 41 0.572 -1.112 -4.382
283 1HG2 ILE 41 1HG2 ILE 41 -2.409 0.301 -1.518
284 2HG2 ILE 41 2HG2 ILE 41 -0.668 0.597 -1.288
285 3HG2 ILE 41 3HG2 ILE 41 -1.583 1.496 -2.520
286 1HD1 ILE 41 2HD1 ILE 41 -0.671 0.683 -5.635
287 2HD1 ILE 41 3HD1 ILE 41 -0.208 1.863 -4.378
288 3HD1 ILE 41 1HD1 ILE 41 1.043 1.074 -5.363
289 H MET 42 H MET 42 -3.010 -3.633 -2.583
290 HA MET 42 HA MET 42 -1.716 -5.421 -4.691
291 1HB MET 42 1HB MET 42 -2.813 -6.392 -2.563
292 2HB MET 42 2HB MET 42 -4.367 -5.833 -3.151
293 1HG MET 42 1HG MET 42 -3.966 -7.307 -5.275
294 2HG MET 42 2HG MET 42 -2.508 -7.912 -4.475
295 1HE MET 42 2HE MET 42 -6.431 -7.300 -3.908
296 2HE MET 42 1HE MET 42 -6.184 -8.619 -5.089
297 3HE MET 42 3HE MET 42 -6.895 -8.973 -3.486
298 H GLU 43 H GLU 43 -2.218 -5.099 -6.752
299 HA GLU 43 HA GLU 43 -4.246 -3.111 -7.652
300 1HB GLU 43 1HB GLU 43 -2.580 -5.125 -9.294
301 2HB GLU 43 2HB GLU 43 -3.654 -3.946 -9.989
302 1HG GLU 43 1HG GLU 43 -1.516 -2.993 -10.222
303 2HG GLU 43 2HG GLU 43 -2.350 -2.039 -9.015
304 HE2 GLU 43 HE2 GLU 43 0.027 -2.526 -6.592
305 H GLY 44 H GLY 44 -6.175 -3.460 -8.263
306 1HA GLY 44 1HA GLY 44 -8.195 -5.021 -8.893
307 2HA GLY 44 2HA GLY 44 -7.474 -6.252 -7.867
308 H LEU 45 H LEU 45 -7.288 -5.779 -5.565
309 HA LEU 45 HA LEU 45 -9.177 -3.592 -4.483
310 1HB LEU 45 1HB LEU 45 -8.892 -6.479 -3.443
311 2HB LEU 45 2HB LEU 45 -9.755 -5.205 -2.609
312 HG LEU 45 HG LEU 45 -10.536 -6.280 -5.386
313 1HD1 LEU 45 2HD1 LEU 45 -10.810 -8.019 -3.612
314 2HD1 LEU 45 3HD1 LEU 45 -11.784 -6.898 -2.630
315 3HD1 LEU 45 1HD1 LEU 45 -12.387 -7.467 -4.207
316 1HD2 LEU 45 3HD2 LEU 45 -12.085 -4.368 -3.505
317 2HD2 LEU 45 1HD2 LEU 45 -11.371 -3.941 -5.080
318 3HD2 LEU 45 2HD2 LEU 45 -12.721 -5.083 -5.009
319 H SER 46 H SER 46 -7.659 -2.187 -3.833
320 HA SER 46 HA SER 46 -5.102 -3.025 -2.458
321 1HB SER 46 1HB SER 46 -6.234 -0.212 -3.104
322 2HB SER 46 2HB SER 46 -4.655 -0.528 -2.381
323 HG SER 46 HG SER 46 -4.559 -0.292 -4.614
324 H PHE 47 H PHE 47 -4.907 -3.232 -0.390
325 HA PHE 47 HA PHE 47 -5.389 -3.470 1.948
326 1HB PHE 47 1HB PHE 47 -5.466 -1.300 3.136
327 2HB PHE 47 2HB PHE 47 -4.212 -1.370 1.959
328 HD1 PHE 47 HD2 PHE 47 -4.242 0.140 -0.055
329 HD2 PHE 47 HD1 PHE 47 -7.245 0.454 3.001
330 HE1 PHE 47 HE2 PHE 47 -4.927 2.329 -0.942
331 HE2 PHE 47 HE1 PHE 47 -7.927 2.635 2.101
332 HZ PHE 47 HZ PHE 47 -6.785 3.570 0.118
333 H ALA 48 H ALA 48 -7.145 -4.763 1.804
334 HA ALA 48 HA ALA 48 -9.332 -5.593 2.218
335 1HB ALA 48 1HB ALA 48 -9.089 -4.344 4.417
336 2HB ALA 48 2HB ALA 48 -9.766 -2.871 3.685
337 3HB ALA 48 3HB ALA 48 -10.767 -4.327 3.850
338 HXT ALA 48 HO ALA 48 -10.949 -4.572 -0.609
No H/Q in entry = 338
No H/Q in entry = 338