Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
645436 | 6px7 RC | 30647 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 SER 1 H SER 1 -12.434 13.490 -16.303
2 HA SER 1 HA SER 1 -10.543 15.698 -16.725
3 HB3 SER 1 2HB SER 1 -12.295 15.377 -14.691
4 HG SER 1 HG SER 1 -11.409 14.377 -13.013
5 H GLN 2 H GLN 2 -8.465 15.418 -15.366
6 HA GLN 2 HA GLN 2 -7.504 12.655 -15.404
7 HB3 GLN 2 2HB GLN 2 -5.321 14.006 -16.373
8 HG3 GLN 2 2HG GLN 2 -7.430 12.398 -17.742
9 HE21 GLN 2 1HE2 GLN 2 -5.115 11.416 -19.381
10 HE22 GLN 2 2HE2 GLN 2 -5.017 12.526 -20.700
11 H GLU 3 H GLU 3 -7.199 12.498 -13.241
12 HA GLU 3 HA GLU 3 -5.632 14.588 -11.901
13 HB3 GLU 3 2HB GLU 3 -7.663 14.144 -10.743
14 HG3 GLU 3 2HG GLU 3 -7.061 11.316 -11.328
15 H GLN 4 H GLN 4 -3.688 14.178 -10.958
16 HA GLN 4 HA GLN 4 -2.583 11.473 -11.346
17 HB3 GLN 4 2HB GLN 4 -0.428 13.229 -11.105
18 HG3 GLN 4 2HG GLN 4 -1.192 11.284 -12.853
19 HE21 GLN 4 1HE2 GLN 4 0.495 12.921 -15.012
20 HE22 GLN 4 2HE2 GLN 4 -0.755 13.464 -16.072
21 H ARG 5 H ARG 5 -3.065 10.690 -9.308
22 HA ARG 5 HA ARG 5 -1.558 11.939 -7.109
23 HB3 ARG 5 2HB ARG 5 -4.319 10.717 -6.995
24 HG3 ARG 5 2HG ARG 5 -2.581 11.695 -4.739
25 HD3 ARG 5 2HD ARG 5 -5.423 11.763 -5.048
26 HE ARG 5 HE ARG 5 -4.777 9.430 -3.770
27 HH11 ARG 5 1HH1 ARG 5 -6.356 12.400 -2.873
28 HH12 ARG 5 2HH1 ARG 5 -7.373 11.653 -1.685
29 HH21 ARG 5 1HH2 ARG 5 -6.109 8.435 -2.209
30 HH22 ARG 5 2HH2 ARG 5 -7.231 9.398 -1.308
31 H GLN 6 H GLN 6 -0.149 10.627 -6.153
32 HA GLN 6 HA GLN 6 -0.593 7.725 -6.287
33 HB3 GLN 6 2HB GLN 6 1.050 8.502 -8.032
34 HG3 GLN 6 2HG GLN 6 3.175 8.705 -6.010
35 HE21 GLN 6 1HE2 GLN 6 3.678 11.426 -7.026
36 HE22 GLN 6 2HE2 GLN 6 4.306 11.214 -8.621
37 H CYS 7 H CYS 7 -0.179 6.641 -4.446
38 HA CYS 7 HA CYS 7 0.613 8.211 -2.122
39 HB3 CYS 7 2HB CYS 7 -0.362 6.530 -0.796
40 H LYS 8 H LYS 8 1.479 5.086 -3.599
41 HA LYS 8 HA LYS 8 4.268 5.521 -3.079
42 HB3 LYS 8 2HB LYS 8 4.269 3.186 -1.809
43 HG3 LYS 8 2HG LYS 8 4.643 5.793 -0.995
44 HD3 LYS 8 2HD LYS 8 2.192 4.970 0.105
45 HE3 LYS 8 2HE LYS 8 4.424 4.979 2.135
46 HZ1 LYS 8 1HZ LYS 8 2.874 5.116 3.787
47 HZ2 LYS 8 2HZ LYS 8 1.609 4.536 2.827
48 HZ3 LYS 8 3HZ LYS 8 2.152 6.126 2.638
49 H LYS 9 H LYS 9 4.872 5.037 -5.107
50 HA LYS 9 HA LYS 9 3.717 2.818 -6.547
51 HB3 LYS 9 2HB LYS 9 5.158 3.513 -8.382
52 HG3 LYS 9 2HG LYS 9 4.574 6.226 -7.606
53 HD3 LYS 9 2HD LYS 9 3.834 4.271 -9.706
54 HE3 LYS 9 2HE LYS 9 2.320 6.805 -9.763
55 HZ1 LYS 9 1HZ LYS 9 1.957 5.397 -11.562
56 HZ2 LYS 9 2HZ LYS 9 0.607 5.131 -10.580
57 HZ3 LYS 9 3HZ LYS 9 1.872 4.008 -10.602
58 H ILE 10 H ILE 10 5.705 1.672 -7.928
59 HA ILE 10 HA ILE 10 6.756 -0.226 -6.149
60 HB ILE 10 HB ILE 10 7.739 0.392 -8.938
61 HG13 ILE 10 2HG1 ILE 10 6.186 -1.422 -9.629
62 HG21 ILE 10 1HG2 ILE 10 9.312 -1.089 -8.310
63 HG22 ILE 10 2HG2 ILE 10 8.350 -1.700 -6.966
64 HG23 ILE 10 3HG2 ILE 10 8.039 -2.273 -8.605
65 HD11 ILE 10 1HD1 ILE 10 4.874 -2.589 -8.261
66 HD12 ILE 10 2HD1 ILE 10 5.974 -2.060 -6.987
67 HD13 ILE 10 3HD1 ILE 10 4.477 -1.176 -7.283
68 H GLY 11 H GLY 11 8.414 -0.094 -4.795
69 HA2 GLY 11 2HA GLY 11 10.770 0.231 -4.430
70 HA3 GLY 11 3HA GLY 11 10.710 1.595 -5.536
71 H GLU 12 H GLU 12 8.004 1.768 -3.657
72 HA GLU 12 HA GLU 12 9.190 3.867 -2.026
73 HB3 GLU 12 2HB GLU 12 6.796 4.329 -1.404
74 HG3 GLU 12 2HG GLU 12 6.245 5.459 -3.333
75 H HIS 13 H HIS 13 8.118 4.041 0.262
76 HA HIS 13 HA HIS 13 8.595 1.463 1.584
77 HB3 HIS 13 2HB HIS 13 8.551 4.201 2.861
78 HD1 HIS 13 1HD HIS 13 7.657 3.270 5.087
79 HD2 HIS 13 2HD HIS 13 11.083 1.360 3.717
80 HE1 HIS 13 1HE HIS 13 8.477 1.890 7.023
81 H CYS 14 H CYS 14 7.140 0.585 3.011
82 HA CYS 14 HA CYS 14 4.821 1.955 3.932
83 HB3 CYS 14 2HB CYS 14 3.926 1.700 1.753
84 H TYR 15 H TYR 15 3.720 0.806 5.512
85 HA TYR 15 HA TYR 15 5.150 -1.505 6.540
86 HB3 TYR 15 2HB TYR 15 3.623 -1.211 8.513
87 HD1 TYR 15 1HD TYR 15 4.029 2.280 7.608
88 HD2 TYR 15 2HD TYR 15 5.977 -1.114 9.278
89 HE1 TYR 15 1HE TYR 15 5.770 3.746 8.540
90 HE2 TYR 15 2HE TYR 15 7.723 0.342 10.215
91 HH TYR 15 HH TYR 15 7.646 3.111 10.885
92 H VAL 16 H VAL 16 2.040 -0.700 5.145
93 HA VAL 16 HA VAL 16 1.417 -3.568 5.019
94 HB VAL 16 HB VAL 16 -1.004 -2.996 5.349
95 HG11 VAL 16 1HG1 VAL 16 0.299 -2.156 7.861
96 HG12 VAL 16 2HG1 VAL 16 -0.845 -3.464 7.555
97 HG13 VAL 16 3HG1 VAL 16 0.862 -3.673 7.160
98 HG21 VAL 16 1HG2 VAL 16 -0.302 -0.442 4.989
99 HG22 VAL 16 2HG2 VAL 16 -1.735 -0.920 5.899
100 HG23 VAL 16 3HG2 VAL 16 -0.248 -0.501 6.750
101 H ALA 17 H ALA 17 -0.590 -3.846 3.490
102 HA ALA 17 HA ALA 17 0.214 -2.918 0.930
103 HB1 ALA 17 1HB ALA 17 -2.047 -3.972 0.260
104 HB2 ALA 17 2HB ALA 17 -0.776 -5.016 0.896
105 HB3 ALA 17 3HB ALA 17 -2.109 -4.516 1.937
106 H ASP 18 H ASP 18 -2.473 -2.084 3.084
107 HA ASP 18 HA ASP 18 -3.892 -0.390 1.407
108 HB3 ASP 18 2HB ASP 18 -3.999 0.761 3.980
109 H GLU 19 H GLU 19 -0.963 0.194 3.242
110 HA GLU 19 HA GLU 19 -0.902 2.995 3.064
111 HB3 GLU 19 2HB GLU 19 1.683 2.529 3.178
112 HG3 GLU 19 2HG GLU 19 1.201 1.515 5.615
113 H CYS 20 H CYS 20 -0.023 0.489 0.794
114 HA CYS 20 HA CYS 20 1.184 2.401 -1.040
115 HB3 CYS 20 2HB CYS 20 0.871 -0.148 -2.260
116 H CYS 21 H CYS 21 0.130 3.356 -2.652
117 HA CYS 21 HA CYS 21 -2.643 3.172 -2.973
118 HB3 CYS 21 2HB CYS 21 -1.527 4.121 -5.404
119 H SER 22 H SER 22 -0.034 1.405 -4.454
120 HA SER 22 HA SER 22 -1.705 0.276 -6.527
121 HB3 SER 22 2HB SER 22 1.132 -0.359 -5.679
122 HG SER 22 HG SER 22 -0.415 -1.250 -7.883
123 H LYS 23 H LYS 23 -0.986 -0.392 -3.275
124 HA LYS 23 HA LYS 23 -1.613 -2.060 -1.861
125 HB3 LYS 23 2HB LYS 23 -3.482 -3.464 -2.452
126 HG3 LYS 23 2HG LYS 23 -4.716 -1.490 -3.981
127 HD3 LYS 23 2HD LYS 23 -4.501 -1.574 -0.975
128 HE3 LYS 23 2HE LYS 23 -6.882 -0.889 -2.679
129 HZ1 LYS 23 1HZ LYS 23 -6.736 0.435 -0.209
130 HZ2 LYS 23 2HZ LYS 23 -6.481 -1.215 0.063
131 HZ3 LYS 23 3HZ LYS 23 -7.883 -0.696 -0.729
132 H ARG 24 H ARG 24 0.813 -2.384 -3.056
133 HA ARG 24 HA ARG 24 0.941 -5.304 -3.403
134 HB3 ARG 24 2HB ARG 24 3.129 -4.401 -4.794
135 HG3 ARG 24 2HG ARG 24 1.922 -4.939 -6.845
136 HD3 ARG 24 2HD ARG 24 2.211 -6.638 -4.572
137 HE ARG 24 HE ARG 24 0.148 -7.603 -4.517
138 HH11 ARG 24 1HH1 ARG 24 0.913 -6.811 -7.820
139 HH12 ARG 24 2HH1 ARG 24 -0.506 -7.568 -8.466
140 HH21 ARG 24 1HH2 ARG 24 -1.723 -8.603 -5.357
141 HH22 ARG 24 2HH2 ARG 24 -2.004 -8.587 -7.064
142 H CYS 25 H CYS 25 1.279 -3.706 -1.015
143 HA CYS 25 HA CYS 25 4.139 -3.669 -0.507
144 HB3 CYS 25 2HB CYS 25 2.047 -3.203 1.594
145 H LEU 26 H LEU 26 5.161 -4.889 1.132
146 HA LEU 26 HA LEU 26 3.677 -7.242 2.081
147 HB3 LEU 26 2HB LEU 26 6.510 -7.347 1.067
148 HG LEU 26 HG LEU 26 5.595 -9.202 2.632
149 HD11 LEU 26 1HD1 LEU 26 4.177 -10.807 1.745
150 HD12 LEU 26 2HD1 LEU 26 4.432 -10.264 0.087
151 HD13 LEU 26 3HD1 LEU 26 3.455 -9.296 1.191
152 HD21 LEU 26 1HD2 LEU 26 7.132 -10.625 1.731
153 HD22 LEU 26 2HD2 LEU 26 7.599 -9.138 0.907
154 HD23 LEU 26 3HD2 LEU 26 6.601 -10.331 0.075
155 H PHE 27 H PHE 27 4.439 -8.163 4.028
156 HA PHE 27 HA PHE 27 5.418 -6.286 5.908
157 HB3 PHE 27 2HB PHE 27 5.620 -8.447 7.355
158 HD1 PHE 27 1HD PHE 27 4.221 -7.938 9.085
159 HD2 PHE 27 2HD PHE 27 2.750 -7.643 5.102
160 HE1 PHE 27 1HE PHE 27 2.037 -7.201 9.949
161 HE2 PHE 27 2HE PHE 27 0.565 -6.906 5.959
162 HZ PHE 27 HZ PHE 27 0.206 -6.684 8.386
163 H TYR 28 H TYR 28 6.938 -8.742 3.959
164 HA TYR 28 HA TYR 28 9.440 -8.598 5.419
165 HB3 TYR 28 2HB TYR 28 10.244 -10.179 3.656
166 HD1 TYR 28 1HD TYR 28 6.762 -11.227 3.818
167 HD2 TYR 28 2HD TYR 28 10.507 -11.291 5.838
168 HE1 TYR 28 1HE TYR 28 5.945 -13.043 5.263
169 HE2 TYR 28 2HE TYR 28 9.701 -13.107 7.287
170 HH TYR 28 HH TYR 28 6.394 -14.368 6.986
171 H ALA 29 H ALA 29 8.292 -7.803 2.145
172 HA ALA 29 HA ALA 29 10.714 -6.578 1.322
173 HB1 ALA 29 1HB ALA 29 8.299 -5.618 -0.012
174 HB2 ALA 29 2HB ALA 29 9.718 -6.429 -0.676
175 HB3 ALA 29 3HB ALA 29 8.424 -7.376 0.058
176 H ALA 30 H ALA 30 7.709 -5.326 2.700
177 HA ALA 30 HA ALA 30 7.186 -3.336 3.672
178 HB1 ALA 30 1HB ALA 30 8.694 -2.776 5.201
179 HB2 ALA 30 2HB ALA 30 9.832 -3.873 4.417
180 HB3 ALA 30 3HB ALA 30 9.794 -2.170 3.962
181 H LYS 31 H LYS 31 8.179 -3.634 0.690
182 HA LYS 31 HA LYS 31 7.802 -0.797 0.088
183 HB3 LYS 31 2HB LYS 31 10.148 -2.478 -0.718
184 HG3 LYS 31 2HG LYS 31 10.558 -0.351 -2.265
185 HD3 LYS 31 2HD LYS 31 9.540 -1.770 -4.162
186 HE3 LYS 31 2HE LYS 31 11.306 -3.641 -2.865
187 HZ1 LYS 31 1HZ LYS 31 11.600 -1.742 -5.122
188 HZ2 LYS 31 2HZ LYS 31 11.293 -3.403 -5.210
189 HZ3 LYS 31 3HZ LYS 31 12.799 -2.848 -4.674
190 H CYS 32 H CYS 32 6.640 -0.403 -1.743
191 HA CYS 32 HA CYS 32 4.906 -2.307 -2.739
192 HB3 CYS 32 2HB CYS 32 5.347 -0.425 -4.817
193 H VAL 33 H VAL 33 5.355 -4.119 -3.788
194 HA VAL 33 HA VAL 33 7.511 -4.086 -5.799
195 HB VAL 33 HB VAL 33 7.480 -6.641 -5.400
196 HG11 VAL 33 1HG1 VAL 33 8.894 -4.493 -4.186
197 HG12 VAL 33 2HG1 VAL 33 8.676 -5.766 -2.985
198 HG13 VAL 33 3HG1 VAL 33 9.454 -6.129 -4.526
199 HG21 VAL 33 1HG2 VAL 33 6.739 -6.142 -2.608
200 HG22 VAL 33 2HG2 VAL 33 5.397 -6.042 -3.748
201 HG23 VAL 33 3HG2 VAL 33 6.367 -7.512 -3.655
202 H SER 34 H SER 34 7.031 -4.665 -7.833
203 HA SER 34 HA SER 34 4.429 -4.739 -8.779
204 HB3 SER 34 2HB SER 34 6.971 -5.831 -9.999
205 HG SER 34 HG SER 34 5.254 -5.222 -11.873
Start of MODEL 2
1 H1 SER 1 H SER 1 -0.364 19.625 -17.176
2 HA SER 1 HA SER 1 1.748 20.063 -16.292
3 HB3 SER 1 2HB SER 1 1.617 20.937 -13.749
4 HG SER 1 HG SER 1 1.860 22.996 -14.620
5 H GLN 2 H GLN 2 -0.273 19.327 -13.455
6 HA GLN 2 HA GLN 2 1.421 17.248 -12.562
7 HB3 GLN 2 2HB GLN 2 -0.608 16.678 -11.097
8 HG3 GLN 2 2HG GLN 2 0.209 19.561 -10.936
9 HE21 GLN 2 1HE2 GLN 2 0.240 20.340 -8.793
10 HE22 GLN 2 2HE2 GLN 2 -0.722 19.603 -7.561
11 H GLU 3 H GLU 3 0.311 15.016 -12.023
12 HA GLU 3 HA GLU 3 -1.300 14.023 -14.232
13 HB3 GLU 3 2HB GLU 3 0.912 13.740 -15.133
14 HG3 GLU 3 2HG GLU 3 1.574 12.790 -12.416
15 H GLN 4 H GLN 4 -2.114 14.316 -11.651
16 HA GLN 4 HA GLN 4 -3.077 13.220 -9.906
17 HB3 GLN 4 2HB GLN 4 -3.485 10.678 -10.398
18 HG3 GLN 4 2HG GLN 4 -4.781 12.335 -12.480
19 HE21 GLN 4 1HE2 GLN 4 -5.423 10.234 -13.156
20 HE22 GLN 4 2HE2 GLN 4 -6.666 9.380 -12.311
21 H ARG 5 H ARG 5 -1.514 13.428 -8.349
22 HA ARG 5 HA ARG 5 0.838 11.853 -8.228
23 HB3 ARG 5 2HB ARG 5 -0.391 13.055 -5.778
24 HG3 ARG 5 2HG ARG 5 2.323 12.469 -6.760
25 HD3 ARG 5 2HD ARG 5 1.549 15.085 -5.634
26 HE ARG 5 HE ARG 5 3.168 13.556 -4.025
27 HH11 ARG 5 1HH1 ARG 5 3.496 16.508 -5.841
28 HH12 ARG 5 2HH1 ARG 5 4.667 17.195 -4.764
29 HH21 ARG 5 1HH2 ARG 5 4.709 14.449 -2.599
30 HH22 ARG 5 2HH2 ARG 5 5.357 16.021 -2.920
31 H GLN 6 H GLN 6 1.290 9.972 -7.190
32 HA GLN 6 HA GLN 6 -1.009 8.436 -6.234
33 HB3 GLN 6 2HB GLN 6 1.172 6.732 -6.238
34 HG3 GLN 6 2HG GLN 6 -0.325 7.074 -8.780
35 HE21 GLN 6 1HE2 GLN 6 -0.432 5.200 -9.889
36 HE22 GLN 6 2HE2 GLN 6 0.255 3.709 -9.351
37 H CYS 7 H CYS 7 -0.221 6.709 -4.494
38 HA CYS 7 HA CYS 7 0.650 8.305 -2.217
39 HB3 CYS 7 2HB CYS 7 -0.323 6.667 -0.839
40 H LYS 8 H LYS 8 1.427 5.139 -3.656
41 HA LYS 8 HA LYS 8 4.235 5.531 -3.207
42 HB3 LYS 8 2HB LYS 8 4.222 3.220 -1.895
43 HG3 LYS 8 2HG LYS 8 4.662 5.833 -1.137
44 HD3 LYS 8 2HD LYS 8 2.220 5.075 0.032
45 HE3 LYS 8 2HE LYS 8 4.497 5.079 2.011
46 HZ1 LYS 8 1HZ LYS 8 1.567 5.261 2.393
47 HZ2 LYS 8 2HZ LYS 8 2.763 6.287 3.004
48 HZ3 LYS 8 3HZ LYS 8 2.605 4.716 3.612
49 H LYS 9 H LYS 9 4.782 5.002 -5.238
50 HA LYS 9 HA LYS 9 3.556 2.779 -6.613
51 HB3 LYS 9 2HB LYS 9 4.969 3.416 -8.492
52 HG3 LYS 9 2HG LYS 9 4.454 6.151 -7.759
53 HD3 LYS 9 2HD LYS 9 2.569 5.628 -9.524
54 HE3 LYS 9 2HE LYS 9 5.085 5.246 -10.901
55 HZ1 LYS 9 1HZ LYS 9 4.193 6.814 -12.174
56 HZ2 LYS 9 2HZ LYS 9 4.002 7.887 -10.881
57 HZ3 LYS 9 3HZ LYS 9 2.811 6.728 -11.200
58 H ILE 10 H ILE 10 5.488 1.571 -8.017
59 HA ILE 10 HA ILE 10 6.545 -0.314 -6.228
60 HB ILE 10 HB ILE 10 7.475 0.234 -9.049
61 HG13 ILE 10 2HG1 ILE 10 5.871 -1.558 -9.673
62 HG21 ILE 10 1HG2 ILE 10 9.033 -1.266 -8.428
63 HG22 ILE 10 2HG2 ILE 10 8.089 -1.835 -7.052
64 HG23 ILE 10 3HG2 ILE 10 7.731 -2.430 -8.673
65 HD11 ILE 10 1HD1 ILE 10 4.571 -2.679 -8.255
66 HD12 ILE 10 2HD1 ILE 10 5.708 -2.149 -7.015
67 HD13 ILE 10 3HD1 ILE 10 4.221 -1.243 -7.293
68 H GLY 11 H GLY 11 8.233 -0.186 -4.911
69 HA2 GLY 11 2HA GLY 11 10.605 0.099 -4.607
70 HA3 GLY 11 3HA GLY 11 10.543 1.445 -5.737
71 H GLU 12 H GLU 12 7.887 1.701 -3.799
72 HA GLU 12 HA GLU 12 9.148 3.806 -2.233
73 HB3 GLU 12 2HB GLU 12 6.779 4.325 -1.567
74 HG3 GLU 12 2HG GLU 12 6.204 5.430 -3.504
75 H HIS 13 H HIS 13 8.131 4.041 0.074
76 HA HIS 13 HA HIS 13 8.591 1.477 1.431
77 HB3 HIS 13 2HB HIS 13 8.624 4.238 2.660
78 HD1 HIS 13 1HD HIS 13 7.768 3.364 4.923
79 HD2 HIS 13 2HD HIS 13 11.123 1.365 3.506
80 HE1 HIS 13 1HE HIS 13 8.609 2.001 6.864
81 H CYS 14 H CYS 14 7.153 0.653 2.907
82 HA CYS 14 HA CYS 14 4.879 2.081 3.853
83 HB3 CYS 14 2HB CYS 14 3.931 1.805 1.701
84 H TYR 15 H TYR 15 3.797 0.982 5.481
85 HA TYR 15 HA TYR 15 5.206 -1.336 6.517
86 HB3 TYR 15 2HB TYR 15 3.686 -0.979 8.506
87 HD1 TYR 15 1HD TYR 15 5.919 -0.970 9.451
88 HD2 TYR 15 2HD TYR 15 4.414 2.434 7.388
89 HE1 TYR 15 1HE TYR 15 7.750 0.390 10.372
90 HE2 TYR 15 2HE TYR 15 6.242 3.802 8.302
91 HH TYR 15 HH TYR 15 7.791 3.808 10.150
92 H VAL 16 H VAL 16 2.081 -0.499 5.177
93 HA VAL 16 HA VAL 16 1.406 -3.359 5.117
94 HB VAL 16 HB VAL 16 -1.015 -2.680 5.455
95 HG11 VAL 16 1HG1 VAL 16 0.400 -3.801 7.164
96 HG12 VAL 16 2HG1 VAL 16 0.810 -2.210 7.808
97 HG13 VAL 16 3HG1 VAL 16 -0.861 -2.775 7.849
98 HG21 VAL 16 1HG2 VAL 16 -0.182 -0.314 6.984
99 HG22 VAL 16 2HG2 VAL 16 -0.088 -0.139 5.231
100 HG23 VAL 16 3HG2 VAL 16 -1.617 -0.579 5.994
101 H ALA 17 H ALA 17 -0.643 -3.624 3.639
102 HA ALA 17 HA ALA 17 0.119 -2.757 1.046
103 HB1 ALA 17 1HB ALA 17 -2.177 -3.780 0.446
104 HB2 ALA 17 2HB ALA 17 -0.910 -4.837 1.072
105 HB3 ALA 17 3HB ALA 17 -2.209 -4.293 2.133
106 H ASP 18 H ASP 18 -2.502 -1.837 3.244
107 HA ASP 18 HA ASP 18 -3.929 -0.146 1.570
108 HB3 ASP 18 2HB ASP 18 -4.733 0.952 3.620
109 H GLU 19 H GLU 19 -0.948 0.416 3.327
110 HA GLU 19 HA GLU 19 -0.839 3.212 3.097
111 HB3 GLU 19 2HB GLU 19 1.802 2.299 2.950
112 HG3 GLU 19 2HG GLU 19 0.685 3.977 4.539
113 H CYS 20 H CYS 20 -0.059 0.650 0.853
114 HA CYS 20 HA CYS 20 1.140 2.506 -1.042
115 HB3 CYS 20 2HB CYS 20 0.751 -0.057 -2.209
116 H CYS 21 H CYS 21 0.068 3.452 -2.647
117 HA CYS 21 HA CYS 21 -2.714 3.314 -2.902
118 HB3 CYS 21 2HB CYS 21 -1.638 4.198 -5.375
119 H SER 22 H SER 22 -0.174 1.472 -4.408
120 HA SER 22 HA SER 22 -1.913 0.338 -6.423
121 HB3 SER 22 2HB SER 22 0.942 -0.273 -5.630
122 HG SER 22 HG SER 22 0.800 -1.338 -7.811
123 H LYS 23 H LYS 23 -1.132 -0.285 -3.176
124 HA LYS 23 HA LYS 23 -1.755 -1.916 -1.717
125 HB3 LYS 23 2HB LYS 23 -3.664 -3.294 -2.241
126 HG3 LYS 23 2HG LYS 23 -4.897 -1.327 -3.776
127 HD3 LYS 23 2HD LYS 23 -4.613 -1.360 -0.775
128 HE3 LYS 23 2HE LYS 23 -6.803 -0.450 -2.639
129 HZ1 LYS 23 1HZ LYS 23 -7.511 0.352 -0.182
130 HZ2 LYS 23 2HZ LYS 23 -6.854 -1.169 0.161
131 HZ3 LYS 23 3HZ LYS 23 -8.126 -1.027 -0.944
132 H ARG 24 H ARG 24 0.636 -2.306 -2.964
133 HA ARG 24 HA ARG 24 0.702 -5.233 -3.261
134 HB3 ARG 24 2HB ARG 24 2.874 -4.394 -4.716
135 HG3 ARG 24 2HG ARG 24 1.611 -4.949 -6.729
136 HD3 ARG 24 2HD ARG 24 0.549 -6.901 -4.770
137 HE ARG 24 HE ARG 24 2.388 -7.775 -6.776
138 HH11 ARG 24 1HH1 ARG 24 -0.896 -6.774 -6.203
139 HH12 ARG 24 2HH1 ARG 24 -1.535 -7.643 -7.559
140 HH21 ARG 24 1HH2 ARG 24 1.559 -8.923 -8.565
141 HH22 ARG 24 2HH2 ARG 24 -0.138 -8.866 -8.902
142 H CYS 25 H CYS 25 1.124 -3.600 -0.910
143 HA CYS 25 HA CYS 25 3.995 -3.607 -0.467
144 HB3 CYS 25 2HB CYS 25 1.963 -3.066 1.673
145 H LEU 26 H LEU 26 5.031 -4.817 1.170
146 HA LEU 26 HA LEU 26 3.528 -7.125 2.194
147 HB3 LEU 26 2HB LEU 26 6.334 -7.301 1.119
148 HG LEU 26 HG LEU 26 5.421 -9.110 2.738
149 HD11 LEU 26 1HD1 LEU 26 3.955 -10.704 1.912
150 HD12 LEU 26 2HD1 LEU 26 4.182 -10.195 0.239
151 HD13 LEU 26 3HD1 LEU 26 3.247 -9.190 1.345
152 HD21 LEU 26 1HD2 LEU 26 6.349 -10.304 0.180
153 HD22 LEU 26 2HD2 LEU 26 6.912 -10.578 1.830
154 HD23 LEU 26 3HD2 LEU 26 7.386 -9.113 0.967
155 H PHE 27 H PHE 27 4.317 -8.025 4.141
156 HA PHE 27 HA PHE 27 5.370 -6.134 5.962
157 HB3 PHE 27 2HB PHE 27 5.569 -8.275 7.442
158 HD1 PHE 27 1HD PHE 27 4.227 -7.699 9.198
159 HD2 PHE 27 2HD PHE 27 2.656 -7.459 5.249
160 HE1 PHE 27 1HE PHE 27 2.081 -6.904 10.103
161 HE2 PHE 27 2HE PHE 27 0.509 -6.663 6.147
162 HZ PHE 27 HZ PHE 27 0.219 -6.385 8.577
163 H TYR 28 H TYR 28 6.802 -8.651 4.027
164 HA TYR 28 HA TYR 28 9.338 -8.528 5.427
165 HB3 TYR 28 2HB TYR 28 10.074 -10.154 3.676
166 HD1 TYR 28 1HD TYR 28 6.578 -11.136 3.935
167 HD2 TYR 28 2HD TYR 28 10.366 -11.232 5.871
168 HE1 TYR 28 1HE TYR 28 5.763 -12.910 5.430
169 HE2 TYR 28 2HE TYR 28 9.561 -13.007 7.371
170 HH TYR 28 HH TYR 28 7.178 -14.900 6.868
171 H ALA 29 H ALA 29 8.132 -7.770 2.165
172 HA ALA 29 HA ALA 29 10.555 -6.606 1.266
173 HB1 ALA 29 1HB ALA 29 9.519 -6.549 -0.705
174 HB2 ALA 29 2HB ALA 29 8.164 -7.343 0.098
175 HB3 ALA 29 3HB ALA 29 8.186 -5.587 -0.064
176 H ALA 30 H ALA 30 7.606 -5.274 2.689
177 HA ALA 30 HA ALA 30 7.143 -3.257 3.636
178 HB1 ALA 30 1HB ALA 30 9.778 -2.135 3.845
179 HB2 ALA 30 2HB ALA 30 8.696 -2.697 5.119
180 HB3 ALA 30 3HB ALA 30 9.793 -3.831 4.332
181 H LYS 31 H LYS 31 8.061 -3.626 0.638
182 HA LYS 31 HA LYS 31 7.721 -0.794 -0.006
183 HB3 LYS 31 2HB LYS 31 10.018 -2.531 -0.835
184 HG3 LYS 31 2HG LYS 31 10.432 -0.440 -2.428
185 HD3 LYS 31 2HD LYS 31 9.346 -1.875 -4.275
186 HE3 LYS 31 2HE LYS 31 11.165 -3.634 -2.774
187 HZ1 LYS 31 1HZ LYS 31 11.936 -4.041 -4.812
188 HZ2 LYS 31 2HZ LYS 31 12.052 -2.402 -5.216
189 HZ3 LYS 31 3HZ LYS 31 10.574 -3.211 -5.378
190 H CYS 32 H CYS 32 6.525 -0.410 -1.817
191 HA CYS 32 HA CYS 32 4.735 -2.298 -2.739
192 HB3 CYS 32 2HB CYS 32 5.163 -0.461 -4.860
193 H VAL 33 H VAL 33 5.125 -4.137 -3.767
194 HA VAL 33 HA VAL 33 7.236 -4.179 -5.826
195 HB VAL 33 HB VAL 33 7.170 -6.724 -5.380
196 HG11 VAL 33 1HG1 VAL 33 8.648 -4.581 -4.237
197 HG12 VAL 33 2HG1 VAL 33 8.434 -5.829 -3.007
198 HG13 VAL 33 3HG1 VAL 33 9.171 -6.235 -4.557
199 HG21 VAL 33 1HG2 VAL 33 6.080 -7.547 -3.599
200 HG22 VAL 33 2HG2 VAL 33 6.501 -6.169 -2.581
201 HG23 VAL 33 3HG2 VAL 33 5.136 -6.059 -3.693
202 H SER 34 H SER 34 6.699 -4.786 -7.838
203 HA SER 34 HA SER 34 4.076 -4.827 -8.724
204 HB3 SER 34 2HB SER 34 6.625 -5.878 -9.941
205 HG SER 34 HG SER 34 5.429 -6.934 -11.300
Start of MODEL 3
1 H1 SER 1 H SER 1 -7.708 13.961 -14.453
2 HA SER 1 HA SER 1 -5.342 14.532 -15.874
3 HB3 SER 1 2HB SER 1 -7.844 16.112 -15.308
4 HG SER 1 HG SER 1 -5.724 16.934 -17.003
5 H GLN 2 H GLN 2 -6.861 16.579 -13.378
6 HA GLN 2 HA GLN 2 -4.153 17.324 -12.487
7 HB3 GLN 2 2HB GLN 2 -6.455 19.186 -12.104
8 HG3 GLN 2 2HG GLN 2 -3.796 20.050 -13.068
9 HE21 GLN 2 1HE2 GLN 2 -5.508 21.682 -13.654
10 HE22 GLN 2 2HE2 GLN 2 -5.867 22.890 -12.472
11 H GLU 3 H GLU 3 -5.583 15.144 -11.427
12 HA GLU 3 HA GLU 3 -5.600 15.883 -8.651
13 HB3 GLU 3 2HB GLU 3 -7.874 16.526 -9.215
14 HG3 GLU 3 2HG GLU 3 -8.042 13.787 -10.403
15 H GLN 4 H GLN 4 -3.912 14.200 -9.921
16 HA GLN 4 HA GLN 4 -4.778 11.551 -8.967
17 HB3 GLN 4 2HB GLN 4 -2.894 12.008 -11.279
18 HG3 GLN 4 2HG GLN 4 -4.256 9.598 -10.148
19 HE21 GLN 4 1HE2 GLN 4 -1.993 8.571 -12.151
20 HE22 GLN 4 2HE2 GLN 4 -2.922 8.256 -13.573
21 H ARG 5 H ARG 5 -3.786 12.171 -6.943
22 HA ARG 5 HA ARG 5 -0.871 12.406 -6.975
23 HB3 ARG 5 2HB ARG 5 -2.876 12.717 -4.735
24 HG3 ARG 5 2HG ARG 5 0.089 12.728 -4.718
25 HD3 ARG 5 2HD ARG 5 -0.705 15.090 -4.240
26 HE ARG 5 HE ARG 5 -2.399 13.812 -2.393
27 HH11 ARG 5 1HH1 ARG 5 -0.256 16.545 -2.646
28 HH12 ARG 5 2HH1 ARG 5 -1.106 17.485 -1.465
29 HH21 ARG 5 1HH2 ARG 5 -3.526 15.041 -0.836
30 HH22 ARG 5 2HH2 ARG 5 -2.965 16.628 -0.436
31 H GLN 6 H GLN 6 0.232 10.566 -6.953
32 HA GLN 6 HA GLN 6 -0.889 8.092 -6.079
33 HB3 GLN 6 2HB GLN 6 0.719 8.073 -7.868
34 HG3 GLN 6 2HG GLN 6 3.212 8.437 -6.800
35 HE21 GLN 6 1HE2 GLN 6 4.206 9.002 -8.583
36 HE22 GLN 6 2HE2 GLN 6 3.638 10.131 -9.761
37 H CYS 7 H CYS 7 -0.292 6.814 -4.308
38 HA CYS 7 HA CYS 7 0.557 8.354 -1.985
39 HB3 CYS 7 2HB CYS 7 -0.413 6.672 -0.657
40 H LYS 8 H LYS 8 1.362 5.233 -3.506
41 HA LYS 8 HA LYS 8 4.165 5.632 -3.031
42 HB3 LYS 8 2HB LYS 8 4.161 3.286 -1.781
43 HG3 LYS 8 2HG LYS 8 4.579 5.881 -0.951
44 HD3 LYS 8 2HD LYS 8 2.139 5.075 0.185
45 HE3 LYS 8 2HE LYS 8 4.406 5.042 2.175
46 HZ1 LYS 8 1HZ LYS 8 2.926 5.305 3.835
47 HZ2 LYS 8 2HZ LYS 8 1.660 4.553 3.002
48 HZ3 LYS 8 3HZ LYS 8 2.060 6.161 2.661
49 H LYS 9 H LYS 9 4.727 5.161 -5.073
50 HA LYS 9 HA LYS 9 3.523 2.967 -6.511
51 HB3 LYS 9 2HB LYS 9 4.941 3.663 -8.365
52 HG3 LYS 9 2HG LYS 9 4.394 6.374 -7.566
53 HD3 LYS 9 2HD LYS 9 4.401 5.394 -9.877
54 HE3 LYS 9 2HE LYS 9 1.939 4.086 -8.779
55 HZ1 LYS 9 1HZ LYS 9 1.137 3.722 -10.975
56 HZ2 LYS 9 2HZ LYS 9 2.461 4.513 -11.668
57 HZ3 LYS 9 3HZ LYS 9 1.322 5.392 -10.779
58 H ILE 10 H ILE 10 5.470 1.810 -7.939
59 HA ILE 10 HA ILE 10 6.532 -0.115 -6.195
60 HB ILE 10 HB ILE 10 7.472 0.518 -8.995
61 HG13 ILE 10 2HG1 ILE 10 5.886 -1.271 -9.675
62 HG21 ILE 10 1HG2 ILE 10 7.745 -2.155 -8.690
63 HG22 ILE 10 2HG2 ILE 10 9.038 -0.988 -8.412
64 HG23 ILE 10 3HG2 ILE 10 8.096 -1.599 -7.053
65 HD11 ILE 10 1HD1 ILE 10 5.714 -1.934 -7.038
66 HD12 ILE 10 2HD1 ILE 10 4.223 -1.030 -7.297
67 HD13 ILE 10 3HD1 ILE 10 4.586 -2.437 -8.296
68 H GLY 11 H GLY 11 8.214 -0.013 -4.869
69 HA2 GLY 11 2HA GLY 11 10.581 0.283 -4.544
70 HA3 GLY 11 3HA GLY 11 10.515 1.658 -5.637
71 H GLU 12 H GLU 12 7.847 1.846 -3.709
72 HA GLU 12 HA GLU 12 9.084 3.915 -2.079
73 HB3 GLU 12 2HB GLU 12 6.708 4.398 -1.411
74 HG3 GLU 12 2HG GLU 12 6.137 5.553 -3.321
75 H HIS 13 H HIS 13 8.058 4.080 0.228
76 HA HIS 13 HA HIS 13 8.528 1.485 1.518
77 HB3 HIS 13 2HB HIS 13 8.536 4.212 2.820
78 HD1 HIS 13 1HD HIS 13 7.672 3.271 5.054
79 HD2 HIS 13 2HD HIS 13 11.050 1.335 3.605
80 HE1 HIS 13 1HE HIS 13 8.511 1.865 6.962
81 H CYS 14 H CYS 14 7.089 0.612 2.964
82 HA CYS 14 HA CYS 14 4.801 1.998 3.937
83 HB3 CYS 14 2HB CYS 14 3.867 1.773 1.773
84 H TYR 15 H TYR 15 3.716 0.847 5.527
85 HA TYR 15 HA TYR 15 5.137 -1.490 6.507
86 HB3 TYR 15 2HB TYR 15 3.636 -1.197 8.507
87 HD1 TYR 15 1HD TYR 15 3.894 2.302 8.045
88 HD2 TYR 15 2HD TYR 15 6.219 -1.171 8.837
89 HE1 TYR 15 1HE TYR 15 5.679 3.717 8.973
90 HE2 TYR 15 2HE TYR 15 8.009 0.233 9.770
91 HH TYR 15 HH TYR 15 8.064 2.650 10.882
92 H VAL 16 H VAL 16 2.012 -0.636 5.178
93 HA VAL 16 HA VAL 16 1.355 -3.498 5.036
94 HB VAL 16 HB VAL 16 -1.055 -2.896 5.411
95 HG11 VAL 16 1HG1 VAL 16 0.814 -2.345 7.715
96 HG12 VAL 16 2HG1 VAL 16 -0.874 -2.850 7.836
97 HG13 VAL 16 3HG1 VAL 16 0.328 -3.942 7.147
98 HG21 VAL 16 1HG2 VAL 16 -0.536 -0.529 6.963
99 HG22 VAL 16 2HG2 VAL 16 -0.060 -0.283 5.282
100 HG23 VAL 16 3HG2 VAL 16 -1.706 -0.785 5.668
101 H ALA 17 H ALA 17 -0.682 -3.738 3.541
102 HA ALA 17 HA ALA 17 0.086 -2.796 0.976
103 HB1 ALA 17 1HB ALA 17 -0.926 -4.884 0.945
104 HB2 ALA 17 2HB ALA 17 -2.239 -4.374 2.008
105 HB3 ALA 17 3HB ALA 17 -2.195 -3.821 0.334
106 H ASP 18 H ASP 18 -2.552 -1.953 3.185
107 HA ASP 18 HA ASP 18 -3.982 -0.227 1.548
108 HB3 ASP 18 2HB ASP 18 -4.005 0.889 4.150
109 H GLU 19 H GLU 19 -1.014 0.307 3.336
110 HA GLU 19 HA GLU 19 -0.924 3.110 3.181
111 HB3 GLU 19 2HB GLU 19 1.686 2.521 3.174
112 HG3 GLU 19 2HG GLU 19 0.961 1.642 5.719
113 H CYS 20 H CYS 20 -0.114 0.613 0.874
114 HA CYS 20 HA CYS 20 1.082 2.529 -0.965
115 HB3 CYS 20 2HB CYS 20 0.718 -0.005 -2.201
116 H CYS 21 H CYS 21 0.011 3.509 -2.549
117 HA CYS 21 HA CYS 21 -2.770 3.359 -2.822
118 HB3 CYS 21 2HB CYS 21 -1.687 4.316 -5.265
119 H SER 22 H SER 22 -0.208 1.577 -4.366
120 HA SER 22 HA SER 22 -1.929 0.485 -6.418
121 HB3 SER 22 2HB SER 22 0.882 -0.332 -5.642
122 HG SER 22 HG SER 22 -0.271 -0.602 -8.189
123 H LYS 23 H LYS 23 -1.159 -0.220 -3.185
124 HA LYS 23 HA LYS 23 -1.779 -1.893 -1.774
125 HB3 LYS 23 2HB LYS 23 -3.674 -3.270 -2.344
126 HG3 LYS 23 2HG LYS 23 -4.913 -1.270 -3.835
127 HD3 LYS 23 2HD LYS 23 -4.646 -1.383 -0.834
128 HE3 LYS 23 2HE LYS 23 -7.160 -0.769 -2.303
129 HZ1 LYS 23 1HZ LYS 23 -6.428 0.876 -0.092
130 HZ2 LYS 23 2HZ LYS 23 -6.380 -0.763 0.321
131 HZ3 LYS 23 3HZ LYS 23 -7.801 -0.090 -0.303
132 H ARG 24 H ARG 24 0.621 -2.234 -3.016
133 HA ARG 24 HA ARG 24 0.711 -5.150 -3.392
134 HB3 ARG 24 2HB ARG 24 2.883 -4.260 -4.812
135 HG3 ARG 24 2HG ARG 24 1.634 -4.768 -6.846
136 HD3 ARG 24 2HD ARG 24 0.618 -6.756 -4.876
137 HE ARG 24 HE ARG 24 1.355 -6.844 -7.593
138 HH11 ARG 24 1HH1 ARG 24 1.599 -8.701 -4.659
139 HH12 ARG 24 2HH1 ARG 24 1.669 -10.227 -5.476
140 HH21 ARG 24 1HH2 ARG 24 1.446 -8.847 -8.681
141 HH22 ARG 24 2HH2 ARG 24 1.582 -10.309 -7.764
142 H CYS 25 H CYS 25 1.108 -3.580 -0.995
143 HA CYS 25 HA CYS 25 3.976 -3.577 -0.537
144 HB3 CYS 25 2HB CYS 25 1.928 -3.108 1.605
145 H LEU 26 H LEU 26 5.014 -4.824 1.071
146 HA LEU 26 HA LEU 26 3.521 -7.169 2.026
147 HB3 LEU 26 2HB LEU 26 6.333 -7.297 0.960
148 HG LEU 26 HG LEU 26 5.426 -9.156 2.525
149 HD11 LEU 26 1HD1 LEU 26 3.260 -9.213 1.120
150 HD12 LEU 26 2HD1 LEU 26 3.974 -10.735 1.650
151 HD13 LEU 26 3HD1 LEU 26 4.208 -10.182 -0.008
152 HD21 LEU 26 1HD2 LEU 26 6.375 -10.272 -0.059
153 HD22 LEU 26 2HD2 LEU 26 6.930 -10.588 1.584
154 HD23 LEU 26 3HD2 LEU 26 7.400 -9.098 0.766
155 H PHE 27 H PHE 27 4.307 -8.116 3.951
156 HA PHE 27 HA PHE 27 5.340 -6.266 5.829
157 HB3 PHE 27 2HB PHE 27 5.546 -8.446 7.251
158 HD1 PHE 27 1HD PHE 27 4.192 -7.926 9.015
159 HD2 PHE 27 2HD PHE 27 2.638 -7.588 5.068
160 HE1 PHE 27 1HE PHE 27 2.039 -7.169 9.932
161 HE2 PHE 27 2HE PHE 27 0.481 -6.829 5.978
162 HZ PHE 27 HZ PHE 27 0.180 -6.618 8.414
163 H TYR 28 H TYR 28 6.797 -8.722 3.832
164 HA TYR 28 HA TYR 28 9.326 -8.620 5.249
165 HB3 TYR 28 2HB TYR 28 10.081 -10.192 3.458
166 HD1 TYR 28 1HD TYR 28 6.591 -11.205 3.673
167 HD2 TYR 28 2HD TYR 28 10.370 -11.328 5.624
168 HE1 TYR 28 1HE TYR 28 5.780 -13.024 5.116
169 HE2 TYR 28 2HE TYR 28 9.571 -13.149 7.071
170 HH TYR 28 HH TYR 28 6.267 -14.424 6.764
171 H ALA 29 H ALA 29 8.130 -7.781 2.002
172 HA ALA 29 HA ALA 29 10.551 -6.577 1.148
173 HB1 ALA 29 1HB ALA 29 8.183 -7.309 -0.058
174 HB2 ALA 29 2HB ALA 29 8.169 -5.548 -0.161
175 HB3 ALA 29 3HB ALA 29 9.523 -6.459 -0.827
176 H ALA 30 H ALA 30 7.584 -5.304 2.590
177 HA ALA 30 HA ALA 30 7.102 -3.316 3.589
178 HB1 ALA 30 1HB ALA 30 9.728 -2.182 3.842
179 HB2 ALA 30 2HB ALA 30 8.644 -2.787 5.095
180 HB3 ALA 30 3HB ALA 30 9.754 -3.890 4.281
181 H LYS 31 H LYS 31 8.038 -3.600 0.587
182 HA LYS 31 HA LYS 31 7.682 -0.752 0.018
183 HB3 LYS 31 2HB LYS 31 9.995 -2.451 -0.846
184 HG3 LYS 31 2HG LYS 31 10.401 -0.315 -2.381
185 HD3 LYS 31 2HD LYS 31 9.335 -1.707 -4.271
186 HE3 LYS 31 2HE LYS 31 11.729 -1.922 -2.895
187 HZ1 LYS 31 1HZ LYS 31 12.074 -4.011 -2.241
188 HZ2 LYS 31 2HZ LYS 31 11.262 -4.677 -3.568
189 HZ3 LYS 31 3HZ LYS 31 10.390 -4.170 -2.210
190 H CYS 32 H CYS 32 6.491 -0.329 -1.790
191 HA CYS 32 HA CYS 32 4.720 -2.204 -2.770
192 HB3 CYS 32 2HB CYS 32 5.145 -0.309 -4.840
193 H VAL 33 H VAL 33 5.129 -4.013 -3.844
194 HA VAL 33 HA VAL 33 7.250 -3.985 -5.893
195 HB VAL 33 HB VAL 33 7.198 -6.542 -5.516
196 HG11 VAL 33 1HG1 VAL 33 8.656 -4.421 -4.310
197 HG12 VAL 33 2HG1 VAL 33 8.446 -5.702 -3.114
198 HG13 VAL 33 3HG1 VAL 33 9.192 -6.062 -4.672
199 HG21 VAL 33 1HG2 VAL 33 5.152 -5.936 -3.824
200 HG22 VAL 33 2HG2 VAL 33 6.106 -7.419 -3.759
201 HG23 VAL 33 3HG2 VAL 33 6.511 -6.062 -2.707
202 H SER 34 H SER 34 6.727 -4.540 -7.923
203 HA SER 34 HA SER 34 4.109 -4.575 -8.824
204 HB3 SER 34 2HB SER 34 6.672 -5.574 -10.056
205 HG SER 34 HG SER 34 5.315 -5.540 -12.038
Start of MODEL 4
1 H1 SER 1 H SER 1 -9.295 17.229 -12.182
2 HA SER 1 HA SER 1 -7.391 15.514 -11.258
3 HB3 SER 1 2HB SER 1 -9.366 17.000 -9.508
4 HG SER 1 HG SER 1 -7.961 15.549 -8.398
5 H GLN 2 H GLN 2 -7.443 13.406 -10.887
6 HA GLN 2 HA GLN 2 -9.727 12.281 -9.430
7 HB3 GLN 2 2HB GLN 2 -8.438 10.925 -11.801
8 HG3 GLN 2 2HG GLN 2 -10.453 10.112 -9.843
9 HE21 GLN 2 1HE2 GLN 2 -10.076 9.697 -13.352
10 HE22 GLN 2 2HE2 GLN 2 -11.754 9.436 -13.671
11 H GLU 3 H GLU 3 -6.639 11.179 -10.841
12 HA GLU 3 HA GLU 3 -5.947 10.080 -8.195
13 HB3 GLU 3 2HB GLU 3 -6.329 8.267 -9.733
14 HG3 GLU 3 2HG GLU 3 -4.616 9.851 -11.582
15 H GLN 4 H GLN 4 -5.315 12.671 -8.635
16 HA GLN 4 HA GLN 4 -2.738 13.026 -9.808
17 HB3 GLN 4 2HB GLN 4 -3.803 14.917 -7.756
18 HG3 GLN 4 2HG GLN 4 -2.152 15.066 -10.188
19 HE21 GLN 4 1HE2 GLN 4 -2.482 16.358 -11.840
20 HE22 GLN 4 2HE2 GLN 4 -3.560 17.707 -11.883
21 H ARG 5 H ARG 5 -0.819 12.566 -8.972
22 HA ARG 5 HA ARG 5 0.837 12.053 -7.499
23 HB3 ARG 5 2HB ARG 5 -0.786 13.278 -5.288
24 HG3 ARG 5 2HG ARG 5 1.878 14.233 -5.436
25 HD3 ARG 5 2HD ARG 5 0.437 12.384 -3.543
26 HE ARG 5 HE ARG 5 2.507 12.113 -2.623
27 HH11 ARG 5 1HH1 ARG 5 2.235 15.371 -3.817
28 HH12 ARG 5 2HH1 ARG 5 3.757 15.877 -3.164
29 HH21 ARG 5 1HH2 ARG 5 4.513 12.766 -1.758
30 HH22 ARG 5 2HH2 ARG 5 5.053 14.395 -1.994
31 H GLN 6 H GLN 6 0.898 9.897 -7.281
32 HA GLN 6 HA GLN 6 -1.161 8.378 -6.030
33 HB3 GLN 6 2HB GLN 6 0.673 6.546 -6.144
34 HG3 GLN 6 2HG GLN 6 -1.184 6.912 -7.827
35 HE21 GLN 6 1HE2 GLN 6 -1.811 8.725 -8.824
36 HE22 GLN 6 2HE2 GLN 6 -0.937 9.510 -10.092
37 H CYS 7 H CYS 7 -0.352 6.662 -4.315
38 HA CYS 7 HA CYS 7 0.513 8.239 -2.021
39 HB3 CYS 7 2HB CYS 7 -0.438 6.573 -0.661
40 H LYS 8 H LYS 8 1.316 5.099 -3.504
41 HA LYS 8 HA LYS 8 4.122 5.516 -3.060
42 HB3 LYS 8 2HB LYS 8 4.140 3.188 -1.778
43 HG3 LYS 8 2HG LYS 8 4.555 5.796 -0.989
44 HD3 LYS 8 2HD LYS 8 2.126 4.997 0.180
45 HE3 LYS 8 2HE LYS 8 4.412 5.002 2.149
46 HZ1 LYS 8 1HZ LYS 8 1.489 4.897 2.666
47 HZ2 LYS 8 2HZ LYS 8 2.482 6.232 2.969
48 HZ3 LYS 8 3HZ LYS 8 2.713 4.796 3.831
49 H LYS 9 H LYS 9 4.668 5.019 -5.100
50 HA LYS 9 HA LYS 9 3.459 2.801 -6.498
51 HB3 LYS 9 2HB LYS 9 4.857 3.476 -8.374
52 HG3 LYS 9 2HG LYS 9 4.314 6.196 -7.605
53 HD3 LYS 9 2HD LYS 9 2.465 5.745 -9.380
54 HE3 LYS 9 2HE LYS 9 5.427 5.730 -9.779
55 HZ1 LYS 9 1HZ LYS 9 3.411 5.108 -11.784
56 HZ2 LYS 9 2HZ LYS 9 5.054 4.713 -11.742
57 HZ3 LYS 9 3HZ LYS 9 4.570 6.260 -12.225
58 H ILE 10 H ILE 10 5.400 1.631 -7.926
59 HA ILE 10 HA ILE 10 6.485 -0.264 -6.165
60 HB ILE 10 HB ILE 10 7.397 0.330 -8.982
61 HG13 ILE 10 2HG1 ILE 10 5.811 -1.472 -9.623
62 HG21 ILE 10 1HG2 ILE 10 8.044 -1.756 -7.014
63 HG22 ILE 10 2HG2 ILE 10 7.681 -2.337 -8.638
64 HG23 ILE 10 3HG2 ILE 10 8.973 -1.163 -8.391
65 HD11 ILE 10 1HD1 ILE 10 5.666 -2.100 -6.974
66 HD12 ILE 10 2HD1 ILE 10 4.168 -1.205 -7.233
67 HD13 ILE 10 3HD1 ILE 10 4.529 -2.624 -8.216
68 H GLY 11 H GLY 11 8.178 -0.136 -4.855
69 HA2 GLY 11 2HA GLY 11 10.546 0.173 -4.556
70 HA3 GLY 11 3HA GLY 11 10.466 1.532 -5.667
71 H GLU 12 H GLU 12 7.814 1.736 -3.717
72 HA GLU 12 HA GLU 12 9.058 3.835 -2.130
73 HB3 GLU 12 2HB GLU 12 6.687 4.318 -1.447
74 HG3 GLU 12 2HG GLU 12 6.091 5.441 -3.369
75 H HIS 13 H HIS 13 8.048 4.028 0.184
76 HA HIS 13 HA HIS 13 8.542 1.454 1.507
77 HB3 HIS 13 2HB HIS 13 8.550 4.199 2.769
78 HD1 HIS 13 1HD HIS 13 7.710 3.286 5.024
79 HD2 HIS 13 2HD HIS 13 11.085 1.346 3.573
80 HE1 HIS 13 1HE HIS 13 8.573 1.911 6.945
81 H CYS 14 H CYS 14 7.120 0.596 2.979
82 HA CYS 14 HA CYS 14 4.836 1.986 3.953
83 HB3 CYS 14 2HB CYS 14 3.882 1.727 1.801
84 H TYR 15 H TYR 15 3.770 0.851 5.569
85 HA TYR 15 HA TYR 15 5.210 -1.464 6.568
86 HB3 TYR 15 2HB TYR 15 3.750 -1.151 8.583
87 HD1 TYR 15 1HD TYR 15 6.208 -1.054 9.131
88 HD2 TYR 15 2HD TYR 15 4.036 2.348 7.784
89 HE1 TYR 15 1HE TYR 15 7.978 0.414 10.003
90 HE2 TYR 15 2HE TYR 15 5.802 3.825 8.651
91 HH TYR 15 HH TYR 15 8.009 2.972 10.824
92 H VAL 16 H VAL 16 2.068 -0.642 5.257
93 HA VAL 16 HA VAL 16 1.423 -3.508 5.161
94 HB VAL 16 HB VAL 16 -0.994 -2.886 5.533
95 HG11 VAL 16 1HG1 VAL 16 0.094 -2.141 8.092
96 HG12 VAL 16 2HG1 VAL 16 -0.672 -3.651 7.595
97 HG13 VAL 16 3HG1 VAL 16 1.059 -3.419 7.353
98 HG21 VAL 16 1HG2 VAL 16 -1.654 -0.805 6.145
99 HG22 VAL 16 2HG2 VAL 16 -0.141 -0.448 6.977
100 HG23 VAL 16 3HG2 VAL 16 -0.227 -0.343 5.218
101 H ALA 17 H ALA 17 -0.627 -3.778 3.687
102 HA ALA 17 HA ALA 17 0.115 -2.869 1.103
103 HB1 ALA 17 1HB ALA 17 -0.888 -4.961 1.106
104 HB2 ALA 17 2HB ALA 17 -2.190 -4.445 2.178
105 HB3 ALA 17 3HB ALA 17 -2.170 -3.912 0.498
106 H ASP 18 H ASP 18 -2.506 -2.005 3.323
107 HA ASP 18 HA ASP 18 -3.959 -0.310 1.675
108 HB3 ASP 18 2HB ASP 18 -4.222 0.919 4.085
109 H GLU 19 H GLU 19 -0.977 0.263 3.427
110 HA GLU 19 HA GLU 19 -0.901 3.063 3.232
111 HB3 GLU 19 2HB GLU 19 1.666 2.621 3.316
112 HG3 GLU 19 2HG GLU 19 1.308 1.543 5.716
113 H CYS 20 H CYS 20 -0.101 0.537 0.953
114 HA CYS 20 HA CYS 20 1.070 2.431 -0.923
115 HB3 CYS 20 2HB CYS 20 0.706 -0.122 -2.120
116 H CYS 21 H CYS 21 -0.019 3.384 -2.512
117 HA CYS 21 HA CYS 21 -2.801 3.218 -2.758
118 HB3 CYS 21 2HB CYS 21 -1.745 4.145 -5.224
119 H SER 22 H SER 22 -0.247 1.424 -4.297
120 HA SER 22 HA SER 22 -1.979 0.296 -6.320
121 HB3 SER 22 2HB SER 22 0.683 -0.903 -5.716
122 HG SER 22 HG SER 22 0.638 -0.431 -8.154
123 H LYS 23 H LYS 23 -1.180 -0.360 -3.083
124 HA LYS 23 HA LYS 23 -1.780 -2.015 -1.643
125 HB3 LYS 23 2HB LYS 23 -3.674 -3.408 -2.177
126 HG3 LYS 23 2HG LYS 23 -4.935 -1.434 -3.684
127 HD3 LYS 23 2HD LYS 23 -4.640 -1.502 -0.684
128 HE3 LYS 23 2HE LYS 23 -6.389 -0.127 -2.577
129 HZ1 LYS 23 1HZ LYS 23 -8.024 -1.694 -1.983
130 HZ2 LYS 23 2HZ LYS 23 -8.319 -0.343 -1.010
131 HZ3 LYS 23 3HZ LYS 23 -7.556 -1.704 -0.356
132 H ARG 24 H ARG 24 0.612 -2.363 -2.903
133 HA ARG 24 HA ARG 24 0.710 -5.285 -3.236
134 HB3 ARG 24 2HB ARG 24 2.865 -4.404 -4.689
135 HG3 ARG 24 2HG ARG 24 1.601 -4.950 -6.705
136 HD3 ARG 24 2HD ARG 24 0.541 -6.956 -4.821
137 HE ARG 24 HE ARG 24 2.515 -7.738 -6.733
138 HH11 ARG 24 1HH1 ARG 24 -0.822 -6.826 -6.338
139 HH12 ARG 24 2HH1 ARG 24 -1.358 -7.678 -7.748
140 HH21 ARG 24 1HH2 ARG 24 1.822 -8.863 -8.592
141 HH22 ARG 24 2HH2 ARG 24 0.147 -8.837 -9.029
142 H CYS 25 H CYS 25 1.121 -3.677 -0.866
143 HA CYS 25 HA CYS 25 3.995 -3.657 -0.435
144 HB3 CYS 25 2HB CYS 25 1.965 -3.166 1.719
145 H LEU 26 H LEU 26 5.052 -4.875 1.182
146 HA LEU 26 HA LEU 26 3.578 -7.212 2.183
147 HB3 LEU 26 2HB LEU 26 6.382 -7.342 1.095
148 HG LEU 26 HG LEU 26 5.497 -9.183 2.694
149 HD11 LEU 26 1HD1 LEU 26 4.260 -10.250 0.188
150 HD12 LEU 26 2HD1 LEU 26 3.318 -9.270 1.312
151 HD13 LEU 26 3HD1 LEU 26 4.044 -10.782 1.856
152 HD21 LEU 26 1HD2 LEU 26 6.428 -10.333 0.118
153 HD22 LEU 26 2HD2 LEU 26 7.000 -10.623 1.761
154 HD23 LEU 26 3HD2 LEU 26 7.455 -9.141 0.916
155 H PHE 27 H PHE 27 4.386 -8.127 4.115
156 HA PHE 27 HA PHE 27 5.426 -6.248 5.956
157 HB3 PHE 27 2HB PHE 27 5.655 -8.406 7.407
158 HD1 PHE 27 1HD PHE 27 2.721 -7.597 5.241
159 HD2 PHE 27 2HD PHE 27 4.320 -7.856 9.178
160 HE1 PHE 27 1HE PHE 27 0.571 -6.834 6.162
161 HE2 PHE 27 2HE PHE 27 2.172 -7.094 10.104
162 HZ PHE 27 HZ PHE 27 0.293 -6.582 8.596
163 H TYR 28 H TYR 28 6.877 -8.725 3.984
164 HA TYR 28 HA TYR 28 9.417 -8.591 5.376
165 HB3 TYR 28 2HB TYR 28 10.163 -10.186 3.601
166 HD1 TYR 28 1HD TYR 28 6.681 -11.211 3.861
167 HD2 TYR 28 2HD TYR 28 10.477 -11.288 5.783
168 HE1 TYR 28 1HE TYR 28 5.891 -13.012 5.337
169 HE2 TYR 28 2HE TYR 28 9.697 -13.091 7.263
170 HH TYR 28 HH TYR 28 7.859 -14.200 8.003
171 H ALA 29 H ALA 29 8.189 -7.805 2.128
172 HA ALA 29 HA ALA 29 10.597 -6.603 1.234
173 HB1 ALA 29 1HB ALA 29 8.462 -7.478 -0.062
174 HB2 ALA 29 2HB ALA 29 7.999 -5.779 0.056
175 HB3 ALA 29 3HB ALA 29 9.511 -6.228 -0.734
176 H ALA 30 H ALA 30 7.638 -5.322 2.685
177 HA ALA 30 HA ALA 30 7.156 -3.323 3.659
178 HB1 ALA 30 1HB ALA 30 9.820 -3.875 4.332
179 HB2 ALA 30 2HB ALA 30 9.777 -2.171 3.875
180 HB3 ALA 30 3HB ALA 30 8.710 -2.770 5.144
181 H LYS 31 H LYS 31 8.067 -3.644 0.654
182 HA LYS 31 HA LYS 31 7.693 -0.808 0.046
183 HB3 LYS 31 2HB LYS 31 10.006 -2.510 -0.814
184 HG3 LYS 31 2HG LYS 31 10.390 -0.395 -2.383
185 HD3 LYS 31 2HD LYS 31 9.311 -1.819 -4.244
186 HE3 LYS 31 2HE LYS 31 11.256 -3.354 -2.556
187 HZ1 LYS 31 1HZ LYS 31 10.826 -4.374 -4.608
188 HZ2 LYS 31 2HZ LYS 31 12.297 -3.568 -4.826
189 HZ3 LYS 31 3HZ LYS 31 10.872 -2.911 -5.458
190 H CYS 32 H CYS 32 6.485 -0.416 -1.756
191 HA CYS 32 HA CYS 32 4.712 -2.312 -2.693
192 HB3 CYS 32 2HB CYS 32 5.112 -0.444 -4.794
193 H VAL 33 H VAL 33 5.119 -4.134 -3.746
194 HA VAL 33 HA VAL 33 7.222 -4.126 -5.813
195 HB VAL 33 HB VAL 33 7.183 -6.680 -5.399
196 HG11 VAL 33 1HG1 VAL 33 8.644 -4.535 -4.236
197 HG12 VAL 33 2HG1 VAL 33 8.450 -5.800 -3.022
198 HG13 VAL 33 3HG1 VAL 33 9.184 -6.179 -4.581
199 HG21 VAL 33 1HG2 VAL 33 6.112 -7.533 -3.619
200 HG22 VAL 33 2HG2 VAL 33 6.520 -6.160 -2.590
201 HG23 VAL 33 3HG2 VAL 33 5.150 -6.056 -3.696
202 H SER 34 H SER 34 6.683 -4.714 -7.830
203 HA SER 34 HA SER 34 4.057 -4.771 -8.707
204 HB3 SER 34 2HB SER 34 6.681 -5.517 -9.892
205 HG SER 34 HG SER 34 4.212 -6.158 -11.137
Start of MODEL 5
1 H1 SER 1 H SER 1 0.430 12.633 -18.086
2 HA SER 1 HA SER 1 -0.492 13.241 -16.091
3 HB3 SER 1 2HB SER 1 -0.415 11.452 -14.737
4 HG SER 1 HG SER 1 1.806 10.238 -14.807
5 H GLN 2 H GLN 2 0.296 14.196 -13.820
6 HA GLN 2 HA GLN 2 2.832 15.517 -13.855
7 HB3 GLN 2 2HB GLN 2 1.420 17.814 -13.729
8 HG3 GLN 2 2HG GLN 2 1.881 17.175 -16.517
9 HE21 GLN 2 1HE2 GLN 2 0.899 19.403 -15.457
10 HE22 GLN 2 2HE2 GLN 2 2.074 20.669 -15.446
11 H GLU 3 H GLU 3 -0.437 16.262 -12.629
12 HA GLU 3 HA GLU 3 0.635 16.713 -9.978
13 HB3 GLU 3 2HB GLU 3 -1.118 18.188 -10.852
14 HG3 GLU 3 2HG GLU 3 -2.635 15.647 -11.116
15 H GLN 4 H GLN 4 -0.324 15.681 -8.072
16 HA GLN 4 HA GLN 4 -0.824 13.850 -6.818
17 HB3 GLN 4 2HB GLN 4 -2.226 12.129 -8.524
18 HG3 GLN 4 2HG GLN 4 -2.794 13.015 -6.182
19 HE21 GLN 4 1HE2 GLN 4 -5.248 14.366 -8.246
20 HE22 GLN 4 2HE2 GLN 4 -5.208 15.963 -7.588
21 H ARG 5 H ARG 5 1.123 12.902 -6.488
22 HA ARG 5 HA ARG 5 2.212 11.135 -8.549
23 HB3 ARG 5 2HB ARG 5 3.592 11.622 -5.946
24 HG3 ARG 5 2HG ARG 5 4.551 11.424 -8.793
25 HD3 ARG 5 2HD ARG 5 5.821 12.431 -6.363
26 HE ARG 5 HE ARG 5 6.868 10.004 -7.391
27 HH11 ARG 5 1HH1 ARG 5 7.812 13.162 -6.269
28 HH12 ARG 5 2HH1 ARG 5 9.387 12.653 -5.758
29 HH21 ARG 5 1HH2 ARG 5 8.940 9.322 -6.724
30 HH22 ARG 5 2HH2 ARG 5 10.028 10.468 -6.019
31 H GLN 6 H GLN 6 -0.141 10.266 -7.271
32 HA GLN 6 HA GLN 6 -1.054 8.484 -6.185
33 HB3 GLN 6 2HB GLN 6 1.346 6.813 -6.248
34 HG3 GLN 6 2HG GLN 6 -1.005 6.407 -8.020
35 HE21 GLN 6 1HE2 GLN 6 -1.134 4.347 -8.691
36 HE22 GLN 6 2HE2 GLN 6 -0.056 3.087 -8.207
37 H CYS 7 H CYS 7 -0.250 6.602 -4.465
38 HA CYS 7 HA CYS 7 0.537 8.180 -2.144
39 HB3 CYS 7 2HB CYS 7 -0.424 6.492 -0.814
40 H LYS 8 H LYS 8 1.418 5.059 -3.621
41 HA LYS 8 HA LYS 8 4.206 5.510 -3.106
42 HB3 LYS 8 2HB LYS 8 4.223 3.176 -1.835
43 HG3 LYS 8 2HG LYS 8 4.584 5.784 -1.022
44 HD3 LYS 8 2HD LYS 8 2.138 4.950 0.081
45 HE3 LYS 8 2HE LYS 8 4.370 4.971 2.109
46 HZ1 LYS 8 1HZ LYS 8 2.157 6.132 2.663
47 HZ2 LYS 8 2HZ LYS 8 2.790 5.019 3.767
48 HZ3 LYS 8 3HZ LYS 8 1.523 4.566 2.744
49 H LYS 9 H LYS 9 4.808 5.030 -5.134
50 HA LYS 9 HA LYS 9 3.664 2.803 -6.572
51 HB3 LYS 9 2HB LYS 9 5.103 3.505 -8.409
52 HG3 LYS 9 2HG LYS 9 4.494 6.213 -7.649
53 HD3 LYS 9 2HD LYS 9 2.840 4.544 -9.492
54 HE3 LYS 9 2HE LYS 9 3.923 7.351 -9.485
55 HZ1 LYS 9 1HZ LYS 9 4.029 6.427 -11.739
56 HZ2 LYS 9 2HZ LYS 9 2.869 7.652 -11.611
57 HZ3 LYS 9 3HZ LYS 9 2.386 6.030 -11.655
58 H ILE 10 H ILE 10 5.653 1.665 -7.957
59 HA ILE 10 HA ILE 10 6.720 -0.224 -6.179
60 HB ILE 10 HB ILE 10 7.694 0.395 -8.970
61 HG13 ILE 10 2HG1 ILE 10 6.145 -1.423 -9.658
62 HG21 ILE 10 1HG2 ILE 10 8.316 -1.693 -6.996
63 HG22 ILE 10 2HG2 ILE 10 8.001 -2.270 -8.633
64 HG23 ILE 10 3HG2 ILE 10 9.273 -1.082 -8.345
65 HD11 ILE 10 1HD1 ILE 10 5.942 -2.065 -7.016
66 HD12 ILE 10 2HD1 ILE 10 4.440 -1.188 -7.309
67 HD13 ILE 10 3HD1 ILE 10 4.843 -2.598 -8.288
68 H GLY 11 H GLY 11 8.377 -0.075 -4.825
69 HA2 GLY 11 2HA GLY 11 10.735 0.262 -4.468
70 HA3 GLY 11 3HA GLY 11 10.662 1.625 -5.576
71 H GLU 12 H GLU 12 7.962 1.780 -3.686
72 HA GLU 12 HA GLU 12 9.139 3.888 -2.061
73 HB3 GLU 12 2HB GLU 12 6.745 4.338 -1.434
74 HG3 GLU 12 2HG GLU 12 6.184 5.463 -3.365
75 H HIS 13 H HIS 13 8.069 4.057 0.229
76 HA HIS 13 HA HIS 13 8.565 1.483 1.552
77 HB3 HIS 13 2HB HIS 13 8.506 4.221 2.827
78 HD1 HIS 13 1HD HIS 13 7.625 3.288 5.058
79 HD2 HIS 13 2HD HIS 13 11.054 1.393 3.677
80 HE1 HIS 13 1HE HIS 13 8.458 1.912 6.991
81 H CYS 14 H CYS 14 7.117 0.597 2.981
82 HA CYS 14 HA CYS 14 4.791 1.953 3.904
83 HB3 CYS 14 2HB CYS 14 3.894 1.691 1.729
84 H TYR 15 H TYR 15 3.702 0.799 5.489
85 HA TYR 15 HA TYR 15 5.147 -1.501 6.517
86 HB3 TYR 15 2HB TYR 15 3.652 -1.215 8.499
87 HD1 TYR 15 1HD TYR 15 3.917 2.281 7.572
88 HD2 TYR 15 2HD TYR 15 6.020 -1.031 9.218
89 HE1 TYR 15 1HE TYR 15 5.619 3.815 8.467
90 HE2 TYR 15 2HE TYR 15 7.727 0.493 10.119
91 HH TYR 15 HH TYR 15 7.487 3.363 10.742
92 H VAL 16 H VAL 16 2.031 -0.718 5.125
93 HA VAL 16 HA VAL 16 1.429 -3.592 5.001
94 HB VAL 16 HB VAL 16 -0.992 -3.049 5.344
95 HG11 VAL 16 1HG1 VAL 16 0.528 -3.955 7.121
96 HG12 VAL 16 2HG1 VAL 16 0.717 -2.302 7.709
97 HG13 VAL 16 3HG1 VAL 16 -0.872 -3.068 7.723
98 HG21 VAL 16 1HG2 VAL 16 -0.235 -0.459 5.014
99 HG22 VAL 16 2HG2 VAL 16 -1.751 -0.973 5.753
100 HG23 VAL 16 3HG2 VAL 16 -0.370 -0.561 6.769
101 H ALA 17 H ALA 17 -0.583 -3.882 3.477
102 HA ALA 17 HA ALA 17 0.210 -2.951 0.916
103 HB1 ALA 17 1HB ALA 17 -2.092 -4.568 1.933
104 HB2 ALA 17 2HB ALA 17 -2.053 -4.017 0.257
105 HB3 ALA 17 3HB ALA 17 -0.766 -5.052 0.875
106 H ASP 18 H ASP 18 -2.477 -2.133 3.074
107 HA ASP 18 HA ASP 18 -3.910 -0.448 1.400
108 HB3 ASP 18 2HB ASP 18 -4.077 0.726 3.932
109 H GLU 19 H GLU 19 -0.982 0.154 3.229
110 HA GLU 19 HA GLU 19 -0.937 2.956 3.051
111 HB3 GLU 19 2HB GLU 19 1.629 2.556 3.202
112 HG3 GLU 19 2HG GLU 19 1.064 1.309 5.568
113 H CYS 20 H CYS 20 -0.048 0.454 0.779
114 HA CYS 20 HA CYS 20 1.143 2.374 -1.058
115 HB3 CYS 20 2HB CYS 20 0.842 -0.177 -2.278
116 H CYS 21 H CYS 21 0.080 3.322 -2.669
117 HA CYS 21 HA CYS 21 -2.693 3.122 -2.983
118 HB3 CYS 21 2HB CYS 21 -1.587 4.078 -5.417
119 H SER 22 H SER 22 -0.076 1.370 -4.468
120 HA SER 22 HA SER 22 -1.745 0.231 -6.539
121 HB3 SER 22 2HB SER 22 1.130 -0.120 -5.721
122 HG SER 22 HG SER 22 -0.264 -1.620 -7.690
123 H LYS 23 H LYS 23 -1.016 -0.433 -3.289
124 HA LYS 23 HA LYS 23 -1.629 -2.105 -1.873
125 HB3 LYS 23 2HB LYS 23 -3.491 -3.520 -2.462
126 HG3 LYS 23 2HG LYS 23 -4.740 -1.552 -3.988
127 HD3 LYS 23 2HD LYS 23 -4.519 -1.636 -0.981
128 HE3 LYS 23 2HE LYS 23 -6.857 -0.917 -2.740
129 HZ1 LYS 23 1HZ LYS 23 -7.052 0.289 -0.294
130 HZ2 LYS 23 2HZ LYS 23 -6.498 -1.268 0.067
131 HZ3 LYS 23 3HZ LYS 23 -7.926 -1.062 -0.815
132 H ARG 24 H ARG 24 0.797 -2.416 -3.070
133 HA ARG 24 HA ARG 24 0.941 -5.333 -3.420
134 HB3 ARG 24 2HB ARG 24 3.120 -4.415 -4.815
135 HG3 ARG 24 2HG ARG 24 1.912 -4.966 -6.863
136 HD3 ARG 24 2HD ARG 24 2.421 -6.662 -4.733
137 HE ARG 24 HE ARG 24 0.387 -7.513 -4.160
138 HH11 ARG 24 1HH1 ARG 24 0.392 -6.861 -7.579
139 HH12 ARG 24 2HH1 ARG 24 -1.171 -7.556 -7.848
140 HH21 ARG 24 1HH2 ARG 24 -1.674 -8.432 -4.499
141 HH22 ARG 24 2HH2 ARG 24 -2.346 -8.449 -6.095
142 H CYS 25 H CYS 25 1.276 -3.734 -1.032
143 HA CYS 25 HA CYS 25 4.135 -3.678 -0.530
144 HB3 CYS 25 2HB CYS 25 2.048 -3.225 1.575
145 H LEU 26 H LEU 26 5.168 -4.891 1.107
146 HA LEU 26 HA LEU 26 3.702 -7.254 2.058
147 HB3 LEU 26 2HB LEU 26 6.533 -7.340 1.041
148 HG LEU 26 HG LEU 26 5.634 -9.201 2.608
149 HD11 LEU 26 1HD1 LEU 26 4.225 -10.814 1.725
150 HD12 LEU 26 2HD1 LEU 26 4.474 -10.271 0.066
151 HD13 LEU 26 3HD1 LEU 26 3.491 -9.310 1.171
152 HD21 LEU 26 1HD2 LEU 26 7.180 -10.612 1.707
153 HD22 LEU 26 2HD2 LEU 26 7.634 -9.122 0.878
154 HD23 LEU 26 3HD2 LEU 26 6.643 -10.325 0.051
155 H PHE 27 H PHE 27 4.472 -8.168 4.005
156 HA PHE 27 HA PHE 27 5.439 -6.285 5.883
157 HB3 PHE 27 2HB PHE 27 5.662 -8.446 7.329
158 HD1 PHE 27 1HD PHE 27 2.776 -7.670 5.085
159 HD2 PHE 27 2HD PHE 27 4.266 -7.932 9.064
160 HE1 PHE 27 1HE PHE 27 0.589 -6.946 5.947
161 HE2 PHE 27 2HE PHE 27 2.081 -7.209 9.932
162 HZ PHE 27 HZ PHE 27 0.239 -6.717 8.374
163 H TYR 28 H TYR 28 6.975 -8.732 3.935
164 HA TYR 28 HA TYR 28 9.477 -8.569 5.391
165 HB3 TYR 28 2HB TYR 28 10.290 -10.146 3.630
166 HD1 TYR 28 1HD TYR 28 6.817 -11.220 3.793
167 HD2 TYR 28 2HD TYR 28 10.561 -11.253 5.814
168 HE1 TYR 28 1HE TYR 28 6.013 -13.039 5.241
169 HE2 TYR 28 2HE TYR 28 9.768 -13.073 7.266
170 HH TYR 28 HH TYR 28 8.121 -14.501 7.695
171 H ALA 29 H ALA 29 8.319 -7.785 2.118
172 HA ALA 29 HA ALA 29 10.730 -6.546 1.287
173 HB1 ALA 29 1HB ALA 29 9.732 -6.480 -0.703
174 HB2 ALA 29 2HB ALA 29 8.382 -7.321 0.058
175 HB3 ALA 29 3HB ALA 29 8.363 -5.563 -0.073
176 H ALA 30 H ALA 30 7.721 -5.311 2.672
177 HA ALA 30 HA ALA 30 7.189 -3.323 3.644
178 HB1 ALA 30 1HB ALA 30 8.696 -2.749 5.168
179 HB2 ALA 30 2HB ALA 30 9.835 -3.846 4.389
180 HB3 ALA 30 3HB ALA 30 9.794 -2.145 3.926
181 H LYS 31 H LYS 31 8.177 -3.618 0.661
182 HA LYS 31 HA LYS 31 7.782 -0.783 0.058
183 HB3 LYS 31 2HB LYS 31 10.137 -2.450 -0.753
184 HG3 LYS 31 2HG LYS 31 10.531 -0.321 -2.301
185 HD3 LYS 31 2HD LYS 31 9.521 -1.747 -4.196
186 HE3 LYS 31 2HE LYS 31 11.564 -2.926 -2.314
187 HZ1 LYS 31 1HZ LYS 31 11.178 -4.646 -3.754
188 HZ2 LYS 31 2HZ LYS 31 12.362 -3.797 -4.612
189 HZ3 LYS 31 3HZ LYS 31 10.733 -3.639 -5.040
190 H CYS 32 H CYS 32 6.614 -0.397 -1.773
191 HA CYS 32 HA CYS 32 4.890 -2.312 -2.763
192 HB3 CYS 32 2HB CYS 32 5.316 -0.427 -4.843
193 H VAL 33 H VAL 33 5.344 -4.121 -3.817
194 HA VAL 33 HA VAL 33 7.497 -4.074 -5.831
195 HB VAL 33 HB VAL 33 7.486 -6.629 -5.431
196 HG11 VAL 33 1HG1 VAL 33 8.678 -5.745 -3.017
197 HG12 VAL 33 2HG1 VAL 33 9.458 -6.103 -4.558
198 HG13 VAL 33 3HG1 VAL 33 8.885 -4.470 -4.217
199 HG21 VAL 33 1HG2 VAL 33 6.380 -7.509 -3.688
200 HG22 VAL 33 2HG2 VAL 33 6.747 -6.141 -2.637
201 HG23 VAL 33 3HG2 VAL 33 5.403 -6.043 -3.774
202 H SER 34 H SER 34 7.016 -4.659 -7.863
203 HA SER 34 HA SER 34 4.413 -4.748 -8.804
204 HB3 SER 34 2HB SER 34 7.054 -5.570 -9.951
205 HG SER 34 HG SER 34 5.848 -5.960 -11.943
Start of MODEL 6
1 H1 SER 1 H SER 1 -12.721 15.663 -11.544
2 HA SER 1 HA SER 1 -10.875 14.146 -12.680
3 HB3 SER 1 2HB SER 1 -9.696 14.135 -10.296
4 HG SER 1 HG SER 1 -9.584 16.592 -10.678
5 H GLN 2 H GLN 2 -10.228 12.085 -12.804
6 HA GLN 2 HA GLN 2 -11.761 10.077 -11.382
7 HB3 GLN 2 2HB GLN 2 -10.556 8.476 -12.838
8 HG3 GLN 2 2HG GLN 2 -11.380 10.653 -14.688
9 HE21 GLN 2 1HE2 GLN 2 -12.676 7.525 -13.668
10 HE22 GLN 2 2HE2 GLN 2 -12.488 6.749 -15.200
11 H GLU 3 H GLU 3 -8.269 10.365 -12.053
12 HA GLU 3 HA GLU 3 -7.722 9.750 -9.242
13 HB3 GLU 3 2HB GLU 3 -7.684 7.631 -10.592
14 HG3 GLU 3 2HG GLU 3 -5.026 8.305 -11.664
15 H GLN 4 H GLN 4 -5.718 10.479 -8.480
16 HA GLN 4 HA GLN 4 -3.737 11.639 -10.140
17 HB3 GLN 4 2HB GLN 4 -4.809 13.853 -8.568
18 HG3 GLN 4 2HG GLN 4 -3.081 14.055 -10.345
19 HE21 GLN 4 1HE2 GLN 4 -6.179 14.375 -12.009
20 HE22 GLN 4 2HE2 GLN 4 -5.711 13.505 -13.426
21 H ARG 5 H ARG 5 -1.906 12.309 -8.980
22 HA ARG 5 HA ARG 5 -0.419 12.303 -7.258
23 HB3 ARG 5 2HB ARG 5 -2.707 12.512 -5.321
24 HG3 ARG 5 2HG ARG 5 0.004 13.820 -5.403
25 HD3 ARG 5 2HD ARG 5 -1.450 13.864 -2.896
26 HE ARG 5 HE ARG 5 0.109 15.535 -2.875
27 HH11 ARG 5 1HH1 ARG 5 -1.728 15.735 -5.826
28 HH12 ARG 5 2HH1 ARG 5 -1.021 17.238 -6.318
29 HH21 ARG 5 1HH2 ARG 5 1.047 17.514 -3.512
30 HH22 ARG 5 2HH2 ARG 5 0.558 18.249 -5.001
31 H GLN 6 H GLN 6 0.478 10.333 -7.156
32 HA GLN 6 HA GLN 6 -0.999 8.036 -6.231
33 HB3 GLN 6 2HB GLN 6 1.373 6.979 -6.455
34 HG3 GLN 6 2HG GLN 6 -0.543 6.819 -8.123
35 HE21 GLN 6 1HE2 GLN 6 -1.661 8.642 -8.752
36 HE22 GLN 6 2HE2 GLN 6 -1.138 9.656 -10.049
37 H CYS 7 H CYS 7 -0.323 6.686 -4.455
38 HA CYS 7 HA CYS 7 0.525 8.283 -2.170
39 HB3 CYS 7 2HB CYS 7 -0.440 6.630 -0.801
40 H LYS 8 H LYS 8 1.337 5.129 -3.616
41 HA LYS 8 HA LYS 8 4.139 5.548 -3.153
42 HB3 LYS 8 2HB LYS 8 4.145 3.232 -1.850
43 HG3 LYS 8 2HG LYS 8 4.554 5.846 -1.080
44 HD3 LYS 8 2HD LYS 8 2.114 5.061 0.073
45 HE3 LYS 8 2HE LYS 8 4.381 5.077 2.065
46 HZ1 LYS 8 1HZ LYS 8 2.621 6.267 3.043
47 HZ2 LYS 8 2HZ LYS 8 2.496 4.697 3.659
48 HZ3 LYS 8 3HZ LYS 8 1.446 5.211 2.438
49 H LYS 9 H LYS 9 4.703 5.031 -5.184
50 HA LYS 9 HA LYS 9 3.503 2.802 -6.573
51 HB3 LYS 9 2HB LYS 9 4.923 3.459 -8.441
52 HG3 LYS 9 2HG LYS 9 4.369 6.186 -7.705
53 HD3 LYS 9 2HD LYS 9 2.486 4.806 -9.461
54 HE3 LYS 9 2HE LYS 9 3.555 7.331 -9.198
55 HZ1 LYS 9 1HZ LYS 9 5.087 5.872 -11.148
56 HZ2 LYS 9 2HZ LYS 9 5.401 7.370 -10.427
57 HZ3 LYS 9 3HZ LYS 9 4.377 7.276 -11.770
58 H ILE 10 H ILE 10 5.460 1.623 -7.974
59 HA ILE 10 HA ILE 10 6.525 -0.260 -6.187
60 HB ILE 10 HB ILE 10 7.462 0.309 -9.001
61 HG13 ILE 10 2HG1 ILE 10 5.881 -1.499 -9.640
62 HG21 ILE 10 1HG2 ILE 10 8.092 -1.759 -7.010
63 HG22 ILE 10 2HG2 ILE 10 7.742 -2.355 -8.632
64 HG23 ILE 10 3HG2 ILE 10 9.033 -1.178 -8.384
65 HD11 ILE 10 1HD1 ILE 10 4.583 -2.636 -8.232
66 HD12 ILE 10 2HD1 ILE 10 5.713 -2.104 -6.987
67 HD13 ILE 10 3HD1 ILE 10 4.219 -1.209 -7.263
68 H GLY 11 H GLY 11 8.205 -0.122 -4.862
69 HA2 GLY 11 2HA GLY 11 10.572 0.186 -4.545
70 HA3 GLY 11 3HA GLY 11 10.503 1.536 -5.669
71 H GLU 12 H GLU 12 7.834 1.758 -3.744
72 HA GLU 12 HA GLU 12 9.067 3.869 -2.164
73 HB3 GLU 12 2HB GLU 12 6.690 4.362 -1.506
74 HG3 GLU 12 2HG GLU 12 6.111 5.465 -3.444
75 H HIS 13 H HIS 13 8.031 4.084 0.140
76 HA HIS 13 HA HIS 13 8.514 1.520 1.489
77 HB3 HIS 13 2HB HIS 13 8.514 4.276 2.728
78 HD1 HIS 13 1HD HIS 13 7.652 3.383 4.983
79 HD2 HIS 13 2HD HIS 13 11.037 1.426 3.579
80 HE1 HIS 13 1HE HIS 13 8.497 2.024 6.923
81 H CYS 14 H CYS 14 7.077 0.674 2.954
82 HA CYS 14 HA CYS 14 4.786 2.076 3.897
83 HB3 CYS 14 2HB CYS 14 3.850 1.799 1.739
84 H TYR 15 H TYR 15 3.705 0.958 5.513
85 HA TYR 15 HA TYR 15 5.134 -1.351 6.546
86 HB3 TYR 15 2HB TYR 15 3.584 -1.017 8.525
87 HD1 TYR 15 1HD TYR 15 5.749 -1.003 9.570
88 HD2 TYR 15 2HD TYR 15 4.398 2.378 7.369
89 HE1 TYR 15 1HE TYR 15 7.576 0.340 10.524
90 HE2 TYR 15 2HE TYR 15 6.222 3.730 8.315
91 HH TYR 15 HH TYR 15 7.697 3.378 10.753
92 H VAL 16 H VAL 16 2.007 -0.539 5.195
93 HA VAL 16 HA VAL 16 1.360 -3.405 5.119
94 HB VAL 16 HB VAL 16 -1.068 -2.751 5.447
95 HG11 VAL 16 1HG1 VAL 16 0.588 -2.175 7.883
96 HG12 VAL 16 2HG1 VAL 16 -0.950 -3.032 7.767
97 HG13 VAL 16 3HG1 VAL 16 0.528 -3.783 7.164
98 HG21 VAL 16 1HG2 VAL 16 -1.683 -0.677 6.214
99 HG22 VAL 16 2HG2 VAL 16 -0.087 -0.326 6.875
100 HG23 VAL 16 3HG2 VAL 16 -0.358 -0.241 5.134
101 H ALA 17 H ALA 17 -0.676 -3.687 3.630
102 HA ALA 17 HA ALA 17 0.089 -2.801 1.044
103 HB1 ALA 17 1HB ALA 17 -0.915 -4.887 1.044
104 HB2 ALA 17 2HB ALA 17 -2.217 -4.375 2.118
105 HB3 ALA 17 3HB ALA 17 -2.200 -3.843 0.436
106 H ASP 18 H ASP 18 -2.551 -1.916 3.233
107 HA ASP 18 HA ASP 18 -3.987 -0.234 1.557
108 HB3 ASP 18 2HB ASP 18 -4.179 1.000 4.020
109 H GLU 19 H GLU 19 -1.023 0.351 3.333
110 HA GLU 19 HA GLU 19 -0.943 3.149 3.116
111 HB3 GLU 19 2HB GLU 19 1.658 2.610 3.149
112 HG3 GLU 19 2HG GLU 19 0.188 1.706 5.579
113 H CYS 20 H CYS 20 -0.125 0.606 0.865
114 HA CYS 20 HA CYS 20 1.066 2.483 -1.016
115 HB3 CYS 20 2HB CYS 20 0.710 -0.079 -2.195
116 H CYS 21 H CYS 21 -0.009 3.425 -2.622
117 HA CYS 21 HA CYS 21 -2.788 3.258 -2.892
118 HB3 CYS 21 2HB CYS 21 -1.709 4.168 -5.354
119 H SER 22 H SER 22 -0.220 1.451 -4.392
120 HA SER 22 HA SER 22 -1.935 0.309 -6.424
121 HB3 SER 22 2HB SER 22 0.865 -0.525 -5.635
122 HG SER 22 HG SER 22 -0.427 -0.765 -8.141
123 H LYS 23 H LYS 23 -1.168 -0.322 -3.175
124 HA LYS 23 HA LYS 23 -1.782 -1.967 -1.729
125 HB3 LYS 23 2HB LYS 23 -3.673 -3.361 -2.270
126 HG3 LYS 23 2HG LYS 23 -4.920 -1.401 -3.800
127 HD3 LYS 23 2HD LYS 23 -5.561 -0.566 -1.413
128 HE3 LYS 23 2HE LYS 23 -6.148 -3.453 -2.000
129 HZ1 LYS 23 1HZ LYS 23 -8.211 -3.004 -1.046
130 HZ2 LYS 23 2HZ LYS 23 -8.026 -1.327 -1.164
131 HZ3 LYS 23 3HZ LYS 23 -7.121 -2.201 -0.032
132 H ARG 24 H ARG 24 0.620 -2.328 -2.953
133 HA ARG 24 HA ARG 24 0.718 -5.252 -3.267
134 HB3 ARG 24 2HB ARG 24 2.888 -4.384 -4.708
135 HG3 ARG 24 2HG ARG 24 1.641 -4.946 -6.730
136 HD3 ARG 24 2HD ARG 24 0.632 -6.895 -4.719
137 HE ARG 24 HE ARG 24 2.325 -7.745 -6.880
138 HH11 ARG 24 1HH1 ARG 24 -0.921 -6.909 -5.941
139 HH12 ARG 24 2HH1 ARG 24 -1.663 -7.829 -7.208
140 HH21 ARG 24 1HH2 ARG 24 1.360 -8.960 -8.552
141 HH22 ARG 24 2HH2 ARG 24 -0.365 -8.996 -8.691
142 H CYS 25 H CYS 25 1.112 -3.625 -0.907
143 HA CYS 25 HA CYS 25 3.981 -3.604 -0.452
144 HB3 CYS 25 2HB CYS 25 1.934 -3.092 1.680
145 H LEU 26 H LEU 26 5.023 -4.809 1.185
146 HA LEU 26 HA LEU 26 3.538 -7.136 2.193
147 HB3 LEU 26 2HB LEU 26 6.352 -7.279 1.131
148 HG LEU 26 HG LEU 26 5.451 -9.104 2.738
149 HD11 LEU 26 1HD1 LEU 26 3.285 -9.203 1.337
150 HD12 LEU 26 2HD1 LEU 26 4.006 -10.710 1.899
151 HD13 LEU 26 3HD1 LEU 26 4.236 -10.193 0.230
152 HD21 LEU 26 1HD2 LEU 26 6.403 -10.277 0.180
153 HD22 LEU 26 2HD2 LEU 26 6.962 -10.552 1.830
154 HD23 LEU 26 3HD2 LEU 26 7.424 -9.080 0.976
155 H PHE 27 H PHE 27 4.327 -8.037 4.140
156 HA PHE 27 HA PHE 27 5.353 -6.142 5.974
157 HB3 PHE 27 2HB PHE 27 5.564 -8.282 7.450
158 HD1 PHE 27 1HD PHE 27 2.665 -7.488 5.230
159 HD2 PHE 27 2HD PHE 27 4.193 -7.743 9.195
160 HE1 PHE 27 1HE PHE 27 0.498 -6.723 6.110
161 HE2 PHE 27 2HE PHE 27 2.027 -6.981 10.082
162 HZ PHE 27 HZ PHE 27 0.176 -6.471 8.538
163 H TYR 28 H TYR 28 6.820 -8.636 4.036
164 HA TYR 28 HA TYR 28 9.348 -8.492 5.450
165 HB3 TYR 28 2HB TYR 28 10.109 -10.103 3.696
166 HD1 TYR 28 1HD TYR 28 10.402 -11.188 5.886
167 HD2 TYR 28 2HD TYR 28 6.624 -11.123 3.933
168 HE1 TYR 28 1HE TYR 28 9.609 -12.977 7.376
169 HE2 TYR 28 2HE TYR 28 5.818 -12.910 5.418
170 HH TYR 28 HH TYR 28 7.939 -14.655 7.511
171 H ALA 29 H ALA 29 8.149 -7.733 2.184
172 HA ALA 29 HA ALA 29 10.565 -6.541 1.301
173 HB1 ALA 29 1HB ALA 29 8.164 -5.559 -0.020
174 HB2 ALA 29 2HB ALA 29 9.536 -6.452 -0.677
175 HB3 ALA 29 3HB ALA 29 8.214 -7.318 0.105
176 H ALA 30 H ALA 30 7.594 -5.245 2.714
177 HA ALA 30 HA ALA 30 7.106 -3.236 3.667
178 HB1 ALA 30 1HB ALA 30 9.756 -3.788 4.376
179 HB2 ALA 30 2HB ALA 30 9.731 -2.092 3.893
180 HB3 ALA 30 3HB ALA 30 8.645 -2.663 5.160
181 H LYS 31 H LYS 31 8.043 -3.586 0.672
182 HA LYS 31 HA LYS 31 7.678 -0.753 0.038
183 HB3 LYS 31 2HB LYS 31 9.997 -2.466 -0.787
184 HG3 LYS 31 2HG LYS 31 10.396 -0.364 -2.370
185 HD3 LYS 31 2HD LYS 31 9.331 -1.803 -4.228
186 HE3 LYS 31 2HE LYS 31 11.280 -3.277 -2.483
187 HZ1 LYS 31 1HZ LYS 31 12.284 -3.481 -4.847
188 HZ2 LYS 31 2HZ LYS 31 10.716 -3.113 -5.362
189 HZ3 LYS 31 3HZ LYS 31 10.992 -4.476 -4.400
190 H CYS 32 H CYS 32 6.486 -0.376 -1.778
191 HA CYS 32 HA CYS 32 4.719 -2.277 -2.714
192 HB3 CYS 32 2HB CYS 32 5.139 -0.428 -4.828
193 H VAL 33 H VAL 33 5.133 -4.108 -3.748
194 HA VAL 33 HA VAL 33 7.254 -4.121 -5.797
195 HB VAL 33 HB VAL 33 7.209 -6.669 -5.362
196 HG11 VAL 33 1HG1 VAL 33 8.662 -4.517 -4.204
197 HG12 VAL 33 2HG1 VAL 33 8.457 -5.772 -2.981
198 HG13 VAL 33 3HG1 VAL 33 9.204 -6.163 -4.531
199 HG21 VAL 33 1HG2 VAL 33 5.163 -6.030 -3.683
200 HG22 VAL 33 2HG2 VAL 33 6.121 -7.508 -3.585
201 HG23 VAL 33 3HG2 VAL 33 6.522 -6.127 -2.564
202 H SER 34 H SER 34 6.732 -4.724 -7.813
203 HA SER 34 HA SER 34 4.113 -4.789 -8.710
204 HB3 SER 34 2HB SER 34 6.431 -6.162 -10.084
205 HG SER 34 HG SER 34 4.501 -6.437 -11.172
Start of MODEL 7
1 H1 SER 1 H SER 1 -6.628 21.215 -12.346
2 HA SER 1 HA SER 1 -4.466 20.561 -14.231
3 HB3 SER 1 2HB SER 1 -4.148 22.079 -11.629
4 HG SER 1 HG SER 1 -1.967 22.207 -12.296
5 H GLN 2 H GLN 2 -2.941 19.004 -13.475
6 HA GLN 2 HA GLN 2 -3.927 17.375 -11.226
7 HB3 GLN 2 2HB GLN 2 -2.890 15.427 -12.534
8 HG3 GLN 2 2HG GLN 2 -4.838 15.321 -14.178
9 HE21 GLN 2 1HE2 GLN 2 -6.456 16.787 -11.587
10 HE22 GLN 2 2HE2 GLN 2 -6.750 15.365 -10.650
11 H GLU 3 H GLU 3 -2.491 16.840 -9.691
12 HA GLU 3 HA GLU 3 0.349 16.813 -10.230
13 HB3 GLU 3 2HB GLU 3 0.221 19.127 -9.802
14 HG3 GLU 3 2HG GLU 3 -1.880 18.394 -7.874
15 H GLN 4 H GLN 4 -1.042 14.655 -9.595
16 HA GLN 4 HA GLN 4 -0.551 14.231 -6.721
17 HB3 GLN 4 2HB GLN 4 -2.191 12.157 -7.744
18 HG3 GLN 4 2HG GLN 4 -2.890 14.513 -6.008
19 HE21 GLN 4 1HE2 GLN 4 -4.847 14.486 -5.018
20 HE22 GLN 4 2HE2 GLN 4 -6.110 13.375 -5.412
21 H ARG 5 H ARG 5 1.172 13.030 -6.313
22 HA ARG 5 HA ARG 5 2.203 11.244 -8.386
23 HB3 ARG 5 2HB ARG 5 3.616 11.722 -5.797
24 HG3 ARG 5 2HG ARG 5 4.698 11.679 -8.600
25 HD3 ARG 5 2HD ARG 5 6.436 10.747 -6.514
26 HE ARG 5 HE ARG 5 7.106 13.211 -7.806
27 HH11 ARG 5 1HH1 ARG 5 6.803 9.772 -8.253
28 HH12 ARG 5 2HH1 ARG 5 7.941 9.710 -9.558
29 HH21 ARG 5 1HH2 ARG 5 8.607 13.143 -9.523
30 HH22 ARG 5 2HH2 ARG 5 8.968 11.627 -10.278
31 H GLN 6 H GLN 6 -0.154 10.434 -7.046
32 HA GLN 6 HA GLN 6 -1.081 8.670 -5.943
33 HB3 GLN 6 2HB GLN 6 1.272 6.937 -6.083
34 HG3 GLN 6 2HG GLN 6 -1.139 6.603 -7.790
35 HE21 GLN 6 1HE2 GLN 6 -1.264 4.588 -8.540
36 HE22 GLN 6 2HE2 GLN 6 -0.235 3.283 -8.067
37 H CYS 7 H CYS 7 -0.276 6.759 -4.256
38 HA CYS 7 HA CYS 7 0.618 8.301 -1.952
39 HB3 CYS 7 2HB CYS 7 -0.348 6.633 -0.603
40 H LYS 8 H LYS 8 1.376 5.167 -3.468
41 HA LYS 8 HA LYS 8 4.187 5.543 -3.032
42 HB3 LYS 8 2HB LYS 8 4.180 3.203 -1.774
43 HG3 LYS 8 2HG LYS 8 4.632 5.796 -0.960
44 HD3 LYS 8 2HD LYS 8 2.198 5.018 0.211
45 HE3 LYS 8 2HE LYS 8 4.490 4.973 2.172
46 HZ1 LYS 8 1HZ LYS 8 2.870 4.878 3.875
47 HZ2 LYS 8 2HZ LYS 8 1.592 4.787 2.770
48 HZ3 LYS 8 3HZ LYS 8 2.480 6.220 2.922
49 H LYS 9 H LYS 9 4.717 5.060 -5.080
50 HA LYS 9 HA LYS 9 3.475 2.872 -6.495
51 HB3 LYS 9 2HB LYS 9 4.878 3.547 -8.369
52 HG3 LYS 9 2HG LYS 9 4.363 6.266 -7.580
53 HD3 LYS 9 2HD LYS 9 2.581 4.684 -9.369
54 HE3 LYS 9 2HE LYS 9 3.994 7.260 -9.957
55 HZ1 LYS 9 1HZ LYS 9 2.102 5.711 -11.275
56 HZ2 LYS 9 2HZ LYS 9 2.675 7.240 -11.718
57 HZ3 LYS 9 3HZ LYS 9 1.296 7.102 -10.749
58 H ILE 10 H ILE 10 5.392 1.690 -7.941
59 HA ILE 10 HA ILE 10 6.462 -0.235 -6.205
60 HB ILE 10 HB ILE 10 7.369 0.375 -9.021
61 HG13 ILE 10 2HG1 ILE 10 5.755 -1.400 -9.672
62 HG21 ILE 10 1HG2 ILE 10 8.929 -1.143 -8.448
63 HG22 ILE 10 2HG2 ILE 10 7.995 -1.741 -7.077
64 HG23 ILE 10 3HG2 ILE 10 7.622 -2.298 -8.707
65 HD11 ILE 10 1HD1 ILE 10 4.125 -1.136 -7.273
66 HD12 ILE 10 2HD1 ILE 10 4.470 -2.552 -8.268
67 HD13 ILE 10 3HD1 ILE 10 5.615 -2.047 -7.025
68 H GLY 11 H GLY 11 8.159 -0.137 -4.899
69 HA2 GLY 11 2HA GLY 11 10.535 0.137 -4.610
70 HA3 GLY 11 3HA GLY 11 10.466 1.507 -5.708
71 H GLU 12 H GLU 12 7.826 1.721 -3.739
72 HA GLU 12 HA GLU 12 9.105 3.788 -2.138
73 HB3 GLU 12 2HB GLU 12 6.742 4.297 -1.440
74 HG3 GLU 12 2HG GLU 12 6.155 5.448 -3.348
75 H HIS 13 H HIS 13 8.109 3.973 0.182
76 HA HIS 13 HA HIS 13 8.573 1.379 1.478
77 HB3 HIS 13 2HB HIS 13 8.620 4.110 2.769
78 HD1 HIS 13 1HD HIS 13 7.783 3.187 5.019
79 HD2 HIS 13 2HD HIS 13 11.120 1.213 3.527
80 HE1 HIS 13 1HE HIS 13 8.639 1.779 6.920
81 H CYS 14 H CYS 14 7.145 0.524 2.945
82 HA CYS 14 HA CYS 14 4.882 1.934 3.941
83 HB3 CYS 14 2HB CYS 14 3.916 1.707 1.792
84 H TYR 15 H TYR 15 3.812 0.801 5.552
85 HA TYR 15 HA TYR 15 5.225 -1.542 6.526
86 HB3 TYR 15 2HB TYR 15 3.967 -1.212 8.585
87 HD1 TYR 15 1HD TYR 15 6.441 -0.710 8.858
88 HD2 TYR 15 2HD TYR 15 3.600 2.254 7.743
89 HE1 TYR 15 1HE TYR 15 8.018 1.049 9.540
90 HE2 TYR 15 2HE TYR 15 5.170 4.022 8.422
91 HH TYR 15 HH TYR 15 8.216 3.766 8.708
92 H VAL 16 H VAL 16 2.090 -0.672 5.230
93 HA VAL 16 HA VAL 16 1.411 -3.529 5.109
94 HB VAL 16 HB VAL 16 -0.998 -2.879 5.496
95 HG11 VAL 16 1HG1 VAL 16 0.087 -2.189 8.064
96 HG12 VAL 16 2HG1 VAL 16 -0.668 -3.694 7.537
97 HG13 VAL 16 3HG1 VAL 16 1.064 -3.447 7.307
98 HG21 VAL 16 1HG2 VAL 16 -1.623 -0.802 6.195
99 HG22 VAL 16 2HG2 VAL 16 -0.062 -0.460 6.940
100 HG23 VAL 16 3HG2 VAL 16 -0.245 -0.353 5.189
101 H ALA 17 H ALA 17 -0.651 -3.757 3.644
102 HA ALA 17 HA ALA 17 0.091 -2.833 1.065
103 HB1 ALA 17 1HB ALA 17 -2.212 -3.837 0.462
104 HB2 ALA 17 2HB ALA 17 -0.941 -4.910 1.049
105 HB3 ALA 17 3HB ALA 17 -2.228 -4.392 2.136
106 H ASP 18 H ASP 18 -2.509 -1.958 3.305
107 HA ASP 18 HA ASP 18 -3.947 -0.227 1.680
108 HB3 ASP 18 2HB ASP 18 -3.941 0.909 4.267
109 H GLU 19 H GLU 19 -0.951 0.290 3.424
110 HA GLU 19 HA GLU 19 -0.840 3.090 3.258
111 HB3 GLU 19 2HB GLU 19 1.725 2.608 3.320
112 HG3 GLU 19 2HG GLU 19 1.090 1.360 5.714
113 H CYS 20 H CYS 20 -0.082 0.578 0.950
114 HA CYS 20 HA CYS 20 1.105 2.475 -0.913
115 HB3 CYS 20 2HB CYS 20 0.702 -0.059 -2.134
116 H CYS 21 H CYS 21 0.021 3.460 -2.487
117 HA CYS 21 HA CYS 21 -2.764 3.333 -2.722
118 HB3 CYS 21 2HB CYS 21 -1.706 4.271 -5.182
119 H SER 22 H SER 22 -0.239 1.520 -4.288
120 HA SER 22 HA SER 22 -1.996 0.436 -6.315
121 HB3 SER 22 2HB SER 22 0.837 -0.326 -5.563
122 HG SER 22 HG SER 22 0.219 -1.964 -6.793
123 H LYS 23 H LYS 23 -1.190 -0.263 -3.090
124 HA LYS 23 HA LYS 23 -1.804 -1.926 -1.664
125 HB3 LYS 23 2HB LYS 23 -3.718 -3.289 -2.203
126 HG3 LYS 23 2HG LYS 23 -4.961 -1.284 -3.682
127 HD3 LYS 23 2HD LYS 23 -4.653 -1.384 -0.685
128 HE3 LYS 23 2HE LYS 23 -6.135 0.288 -2.375
129 HZ1 LYS 23 1HZ LYS 23 -8.382 -0.451 -1.185
130 HZ2 LYS 23 2HZ LYS 23 -7.700 -1.978 -1.437
131 HZ3 LYS 23 3HZ LYS 23 -7.969 -0.944 -2.749
132 H ARG 24 H ARG 24 0.576 -2.291 -2.939
133 HA ARG 24 HA ARG 24 0.635 -5.210 -3.304
134 HB3 ARG 24 2HB ARG 24 2.797 -4.342 -4.757
135 HG3 ARG 24 2HG ARG 24 1.515 -4.848 -6.773
136 HD3 ARG 24 2HD ARG 24 0.370 -6.910 -5.073
137 HE ARG 24 HE ARG 24 1.915 -6.808 -7.436
138 HH11 ARG 24 1HH1 ARG 24 1.317 -8.810 -4.652
139 HH12 ARG 24 2HH1 ARG 24 1.718 -10.286 -5.464
140 HH21 ARG 24 1HH2 ARG 24 2.446 -8.745 -8.517
141 HH22 ARG 24 2HH2 ARG 24 2.361 -10.248 -7.663
142 H CYS 25 H CYS 25 1.079 -3.633 -0.919
143 HA CYS 25 HA CYS 25 3.953 -3.655 -0.501
144 HB3 CYS 25 2HB CYS 25 1.939 -3.159 1.668
145 H LEU 26 H LEU 26 5.001 -4.903 1.100
146 HA LEU 26 HA LEU 26 3.500 -7.231 2.083
147 HB3 LEU 26 2HB LEU 26 6.298 -7.387 0.983
148 HG LEU 26 HG LEU 26 5.394 -9.232 2.566
149 HD11 LEU 26 1HD1 LEU 26 3.210 -9.278 1.190
150 HD12 LEU 26 2HD1 LEU 26 3.919 -10.804 1.716
151 HD13 LEU 26 3HD1 LEU 26 4.137 -10.259 0.053
152 HD21 LEU 26 1HD2 LEU 26 6.301 -10.368 -0.024
153 HD22 LEU 26 2HD2 LEU 26 6.876 -10.680 1.614
154 HD23 LEU 26 3HD2 LEU 26 7.346 -9.197 0.782
155 H PHE 27 H PHE 27 4.303 -8.178 4.002
156 HA PHE 27 HA PHE 27 5.374 -6.330 5.860
157 HB3 PHE 27 2HB PHE 27 5.581 -8.506 7.287
158 HD1 PHE 27 1HD PHE 27 4.254 -7.967 9.066
159 HD2 PHE 27 2HD PHE 27 2.652 -7.636 5.137
160 HE1 PHE 27 1HE PHE 27 2.118 -7.190 10.007
161 HE2 PHE 27 2HE PHE 27 0.512 -6.858 6.072
162 HZ PHE 27 HZ PHE 27 0.244 -6.633 8.509
163 H TYR 28 H TYR 28 6.786 -8.804 3.855
164 HA TYR 28 HA TYR 28 9.333 -8.716 5.239
165 HB3 TYR 28 2HB TYR 28 10.053 -10.304 3.446
166 HD1 TYR 28 1HD TYR 28 10.361 -11.430 5.614
167 HD2 TYR 28 2HD TYR 28 6.560 -11.289 3.706
168 HE1 TYR 28 1HE TYR 28 9.564 -13.237 7.080
169 HE2 TYR 28 2HE TYR 28 5.754 -13.095 5.167
170 HH TYR 28 HH TYR 28 6.886 -13.918 7.873
171 H ALA 29 H ALA 29 8.103 -7.883 2.004
172 HA ALA 29 HA ALA 29 10.522 -6.702 1.112
173 HB1 ALA 29 1HB ALA 29 9.462 -6.442 -0.853
174 HB2 ALA 29 2HB ALA 29 8.242 -7.484 -0.117
175 HB3 ALA 29 3HB ALA 29 8.030 -5.732 -0.108
176 H ALA 30 H ALA 30 7.585 -5.399 2.588
177 HA ALA 30 HA ALA 30 7.133 -3.403 3.585
178 HB1 ALA 30 1HB ALA 30 9.789 -3.998 4.246
179 HB2 ALA 30 2HB ALA 30 9.771 -2.290 3.800
180 HB3 ALA 30 3HB ALA 30 8.699 -2.882 5.069
181 H LYS 31 H LYS 31 8.028 -3.706 0.573
182 HA LYS 31 HA LYS 31 7.688 -0.858 -0.004
183 HB3 LYS 31 2HB LYS 31 9.975 -2.580 -0.892
184 HG3 LYS 31 2HG LYS 31 10.380 -0.453 -2.439
185 HD3 LYS 31 2HD LYS 31 9.276 -1.842 -4.310
186 HE3 LYS 31 2HE LYS 31 11.644 -2.231 -2.765
187 HZ1 LYS 31 1HZ LYS 31 10.392 -4.467 -2.453
188 HZ2 LYS 31 2HZ LYS 31 12.032 -4.473 -2.867
189 HZ3 LYS 31 3HZ LYS 31 10.859 -4.752 -4.053
190 H CYS 32 H CYS 32 6.478 -0.431 -1.798
191 HA CYS 32 HA CYS 32 4.678 -2.295 -2.747
192 HB3 CYS 32 2HB CYS 32 5.092 -0.411 -4.830
193 H VAL 33 H VAL 33 5.055 -4.111 -3.820
194 HA VAL 33 HA VAL 33 7.150 -4.108 -5.897
195 HB VAL 33 HB VAL 33 7.085 -6.664 -5.509
196 HG11 VAL 33 1HG1 VAL 33 8.574 -4.548 -4.329
197 HG12 VAL 33 2HG1 VAL 33 8.368 -5.823 -3.126
198 HG13 VAL 33 3HG1 VAL 33 9.093 -6.194 -4.690
199 HG21 VAL 33 1HG2 VAL 33 5.066 -6.033 -3.792
200 HG22 VAL 33 2HG2 VAL 33 6.005 -7.525 -3.739
201 HG23 VAL 33 3HG2 VAL 33 6.439 -6.173 -2.693
202 H SER 34 H SER 34 6.594 -4.669 -7.917
203 HA SER 34 HA SER 34 3.965 -4.686 -8.782
204 HB3 SER 34 2HB SER 34 6.493 -5.734 -10.050
205 HG SER 34 HG SER 34 5.313 -6.650 -11.512
Start of MODEL 8
1 H1 SER 1 H SER 1 -5.437 20.129 -16.759
2 HA SER 1 HA SER 1 -8.122 19.642 -17.763
3 HB3 SER 1 2HB SER 1 -6.447 17.772 -18.945
4 HG SER 1 HG SER 1 -7.275 18.811 -20.559
5 H GLN 2 H GLN 2 -5.495 17.694 -16.342
6 HA GLN 2 HA GLN 2 -7.490 16.069 -14.970
7 HB3 GLN 2 2HB GLN 2 -5.845 14.081 -15.748
8 HG3 GLN 2 2HG GLN 2 -8.040 14.981 -17.583
9 HE21 GLN 2 1HE2 GLN 2 -8.380 12.104 -15.858
10 HE22 GLN 2 2HE2 GLN 2 -7.892 11.009 -17.101
11 H GLU 3 H GLU 3 -6.297 14.396 -13.531
12 HA GLU 3 HA GLU 3 -3.703 15.332 -12.600
13 HB3 GLU 3 2HB GLU 3 -5.370 16.686 -11.361
14 HG3 GLU 3 2HG GLU 3 -6.174 14.327 -9.761
15 H GLN 4 H GLN 4 -2.620 13.833 -11.238
16 HA GLN 4 HA GLN 4 -3.881 11.229 -10.852
17 HB3 GLN 4 2HB GLN 4 -1.256 10.678 -11.750
18 HG3 GLN 4 2HG GLN 4 -3.602 10.293 -13.539
19 HE21 GLN 4 1HE2 GLN 4 -3.342 7.433 -13.040
20 HE22 GLN 4 2HE2 GLN 4 -1.888 6.938 -13.829
21 H ARG 5 H ARG 5 -3.779 11.379 -8.654
22 HA ARG 5 HA ARG 5 -1.281 12.106 -7.360
23 HB3 ARG 5 2HB ARG 5 -3.797 11.170 -5.993
24 HG3 ARG 5 2HG ARG 5 -1.424 12.784 -5.168
25 HD3 ARG 5 2HD ARG 5 -2.921 13.164 -3.051
26 HE ARG 5 HE ARG 5 -3.710 15.140 -4.929
27 HH11 ARG 5 1HH1 ARG 5 -0.920 13.773 -3.357
28 HH12 ARG 5 2HH1 ARG 5 0.022 15.222 -3.481
29 HH21 ARG 5 1HH2 ARG 5 -2.479 17.053 -5.100
30 HH22 ARG 5 2HH2 ARG 5 -0.866 17.087 -4.472
31 H GLN 6 H GLN 6 0.060 10.737 -6.288
32 HA GLN 6 HA GLN 6 -0.661 7.881 -6.275
33 HB3 GLN 6 2HB GLN 6 1.030 8.506 -8.035
34 HG3 GLN 6 2HG GLN 6 3.195 8.557 -6.062
35 HE21 GLN 6 1HE2 GLN 6 3.750 11.314 -7.065
36 HE22 GLN 6 2HE2 GLN 6 4.348 11.088 -8.669
37 H CYS 7 H CYS 7 -0.185 6.728 -4.462
38 HA CYS 7 HA CYS 7 0.608 8.278 -2.126
39 HB3 CYS 7 2HB CYS 7 -0.367 6.586 -0.813
40 H LYS 8 H LYS 8 1.472 5.165 -3.632
41 HA LYS 8 HA LYS 8 4.262 5.594 -3.110
42 HB3 LYS 8 2HB LYS 8 4.262 3.248 -1.860
43 HG3 LYS 8 2HG LYS 8 4.642 5.847 -1.025
44 HD3 LYS 8 2HD LYS 8 2.190 5.020 0.072
45 HE3 LYS 8 2HE LYS 8 4.424 5.006 2.100
46 HZ1 LYS 8 1HZ LYS 8 1.487 4.879 2.529
47 HZ2 LYS 8 2HZ LYS 8 2.471 6.206 2.895
48 HZ3 LYS 8 3HZ LYS 8 2.674 4.748 3.728
49 H LYS 9 H LYS 9 4.865 5.128 -5.142
50 HA LYS 9 HA LYS 9 3.707 2.924 -6.601
51 HB3 LYS 9 2HB LYS 9 5.148 3.633 -8.430
52 HG3 LYS 9 2HG LYS 9 4.574 6.339 -7.628
53 HD3 LYS 9 2HD LYS 9 3.844 4.414 -9.751
54 HE3 LYS 9 2HE LYS 9 2.147 6.795 -9.024
55 HZ1 LYS 9 1HZ LYS 9 1.016 6.453 -11.100
56 HZ2 LYS 9 2HZ LYS 9 2.051 5.182 -11.514
57 HZ3 LYS 9 3HZ LYS 9 2.650 6.760 -11.412
58 H ILE 10 H ILE 10 5.703 1.795 -7.995
59 HA ILE 10 HA ILE 10 6.745 -0.125 -6.232
60 HB ILE 10 HB ILE 10 7.730 0.516 -9.014
61 HG13 ILE 10 2HG1 ILE 10 6.173 -1.286 -9.724
62 HG21 ILE 10 1HG2 ILE 10 8.023 -2.153 -8.704
63 HG22 ILE 10 2HG2 ILE 10 9.299 -0.975 -8.403
64 HG23 ILE 10 3HG2 ILE 10 8.337 -1.594 -7.061
65 HD11 ILE 10 1HD1 ILE 10 4.861 -2.467 -8.367
66 HD12 ILE 10 2HD1 ILE 10 5.961 -1.951 -7.088
67 HD13 ILE 10 3HD1 ILE 10 4.465 -1.064 -7.375
68 H GLY 11 H GLY 11 8.406 -0.013 -4.880
69 HA2 GLY 11 2HA GLY 11 10.763 0.307 -4.510
70 HA3 GLY 11 3HA GLY 11 10.704 1.681 -5.604
71 H GLU 12 H GLU 12 7.999 1.845 -3.725
72 HA GLU 12 HA GLU 12 9.187 3.926 -2.076
73 HB3 GLU 12 2HB GLU 12 6.796 4.385 -1.446
74 HG3 GLU 12 2HG GLU 12 6.239 5.525 -3.369
75 H HIS 13 H HIS 13 8.108 4.079 0.214
76 HA HIS 13 HA HIS 13 8.590 1.489 1.514
77 HB3 HIS 13 2HB HIS 13 8.551 4.216 2.814
78 HD1 HIS 13 1HD HIS 13 7.658 3.264 5.034
79 HD2 HIS 13 2HD HIS 13 11.082 1.366 3.641
80 HE1 HIS 13 1HE HIS 13 8.481 1.867 6.956
81 H CYS 14 H CYS 14 7.135 0.601 2.933
82 HA CYS 14 HA CYS 14 4.819 1.964 3.872
83 HB3 CYS 14 2HB CYS 14 3.921 1.731 1.693
84 H TYR 15 H TYR 15 3.720 0.800 5.442
85 HA TYR 15 HA TYR 15 5.148 -1.521 6.446
86 HB3 TYR 15 2HB TYR 15 3.694 -1.242 8.442
87 HD1 TYR 15 1HD TYR 15 3.809 2.265 7.585
88 HD2 TYR 15 2HD TYR 15 6.108 -1.000 9.053
89 HE1 TYR 15 1HE TYR 15 5.483 3.843 8.456
90 HE2 TYR 15 2HE TYR 15 7.787 0.569 9.929
91 HH TYR 15 HH TYR 15 7.411 4.080 9.521
92 H VAL 16 H VAL 16 2.040 -0.701 5.059
93 HA VAL 16 HA VAL 16 1.415 -3.568 4.908
94 HB VAL 16 HB VAL 16 -1.019 -2.955 5.219
95 HG11 VAL 16 1HG1 VAL 16 0.897 -2.614 7.520
96 HG12 VAL 16 2HG1 VAL 16 -0.838 -2.875 7.697
97 HG13 VAL 16 3HG1 VAL 16 0.171 -4.116 6.953
98 HG21 VAL 16 1HG2 VAL 16 -1.691 -0.891 5.880
99 HG22 VAL 16 2HG2 VAL 16 -0.192 -0.557 6.748
100 HG23 VAL 16 3HG2 VAL 16 -0.247 -0.406 4.991
101 H ALA 17 H ALA 17 -0.594 -3.829 3.378
102 HA ALA 17 HA ALA 17 0.206 -2.877 0.827
103 HB1 ALA 17 1HB ALA 17 -2.116 -4.482 1.822
104 HB2 ALA 17 2HB ALA 17 -2.057 -3.923 0.150
105 HB3 ALA 17 3HB ALA 17 -0.786 -4.974 0.774
106 H ASP 18 H ASP 18 -2.475 -2.061 2.993
107 HA ASP 18 HA ASP 18 -3.896 -0.350 1.333
108 HB3 ASP 18 2HB ASP 18 -3.498 0.053 4.302
109 H GLU 19 H GLU 19 -0.964 0.215 3.170
110 HA GLU 19 HA GLU 19 -0.899 3.017 3.017
111 HB3 GLU 19 2HB GLU 19 1.762 2.110 2.889
112 HG3 GLU 19 2HG GLU 19 0.370 3.708 4.535
113 H CYS 20 H CYS 20 -0.027 0.530 0.723
114 HA CYS 20 HA CYS 20 1.178 2.457 -1.096
115 HB3 CYS 20 2HB CYS 20 0.863 -0.080 -2.339
116 H CYS 21 H CYS 21 0.124 3.426 -2.700
117 HA CYS 21 HA CYS 21 -2.650 3.245 -3.019
118 HB3 CYS 21 2HB CYS 21 -1.540 4.214 -5.444
119 H SER 22 H SER 22 -0.046 1.486 -4.514
120 HA SER 22 HA SER 22 -1.720 0.376 -6.596
121 HB3 SER 22 2HB SER 22 1.057 -0.513 -5.798
122 HG SER 22 HG SER 22 0.242 -0.482 -8.431
123 H LYS 23 H LYS 23 -0.996 -0.318 -3.350
124 HA LYS 23 HA LYS 23 -1.619 -1.998 -1.949
125 HB3 LYS 23 2HB LYS 23 -3.489 -3.397 -2.549
126 HG3 LYS 23 2HG LYS 23 -4.728 -1.414 -4.060
127 HD3 LYS 23 2HD LYS 23 -4.505 -1.519 -1.055
128 HE3 LYS 23 2HE LYS 23 -6.732 -0.661 -2.901
129 HZ1 LYS 23 1HZ LYS 23 -7.863 -0.005 -0.895
130 HZ2 LYS 23 2HZ LYS 23 -6.584 -0.560 0.064
131 HZ3 LYS 23 3HZ LYS 23 -7.516 -1.660 -0.823
132 H ARG 24 H ARG 24 0.804 -2.308 -3.162
133 HA ARG 24 HA ARG 24 0.933 -5.225 -3.533
134 HB3 ARG 24 2HB ARG 24 3.123 -4.293 -4.910
135 HG3 ARG 24 2HG ARG 24 1.921 -4.835 -6.968
136 HD3 ARG 24 2HD ARG 24 2.562 -6.553 -4.972
137 HE ARG 24 HE ARG 24 -0.102 -6.538 -4.620
138 HH11 ARG 24 1HH1 ARG 24 2.071 -8.897 -5.973
139 HH12 ARG 24 2HH1 ARG 24 1.104 -10.253 -5.496
140 HH21 ARG 24 1HH2 ARG 24 -1.383 -8.314 -3.986
141 HH22 ARG 24 2HH2 ARG 24 -0.861 -9.920 -4.366
142 H CYS 25 H CYS 25 1.271 -3.648 -1.128
143 HA CYS 25 HA CYS 25 4.131 -3.617 -0.619
144 HB3 CYS 25 2HB CYS 25 2.040 -3.169 1.486
145 H LEU 26 H LEU 26 5.153 -4.854 1.006
146 HA LEU 26 HA LEU 26 3.667 -7.212 1.936
147 HB3 LEU 26 2HB LEU 26 6.498 -7.313 0.917
148 HG LEU 26 HG LEU 26 5.581 -9.181 2.467
149 HD11 LEU 26 1HD1 LEU 26 4.414 -10.216 -0.086
150 HD12 LEU 26 2HD1 LEU 26 3.439 -9.260 1.029
151 HD13 LEU 26 3HD1 LEU 26 4.161 -10.776 1.567
152 HD21 LEU 26 1HD2 LEU 26 7.585 -9.105 0.743
153 HD22 LEU 26 2HD2 LEU 26 6.585 -10.286 -0.103
154 HD23 LEU 26 3HD2 LEU 26 7.115 -10.600 1.550
155 H PHE 27 H PHE 27 4.431 -8.152 3.874
156 HA PHE 27 HA PHE 27 5.415 -6.293 5.768
157 HB3 PHE 27 2HB PHE 27 5.615 -8.466 7.197
158 HD1 PHE 27 1HD PHE 27 2.743 -7.645 4.954
159 HD2 PHE 27 2HD PHE 27 4.219 -7.962 8.933
160 HE1 PHE 27 1HE PHE 27 0.559 -6.911 5.819
161 HE2 PHE 27 2HE PHE 27 2.038 -7.231 9.804
162 HZ PHE 27 HZ PHE 27 0.204 -6.704 8.246
163 H TYR 28 H TYR 28 6.927 -8.732 3.794
164 HA TYR 28 HA TYR 28 9.431 -8.608 5.253
165 HB3 TYR 28 2HB TYR 28 10.230 -10.173 3.472
166 HD1 TYR 28 1HD TYR 28 6.748 -11.217 3.635
167 HD2 TYR 28 2HD TYR 28 10.499 -11.306 5.642
168 HE1 TYR 28 1HE TYR 28 5.933 -13.045 5.065
169 HE2 TYR 28 2HE TYR 28 9.694 -13.136 7.076
170 HH TYR 28 HH TYR 28 6.739 -13.866 7.640
171 H ALA 29 H ALA 29 8.282 -7.780 1.987
172 HA ALA 29 HA ALA 29 10.705 -6.551 1.174
173 HB1 ALA 29 1HB ALA 29 9.647 -6.083 -0.809
174 HB2 ALA 29 2HB ALA 29 8.674 -7.431 -0.223
175 HB3 ALA 29 3HB ALA 29 8.093 -5.777 -0.035
176 H ALA 30 H ALA 30 7.701 -5.308 2.564
177 HA ALA 30 HA ALA 30 7.182 -3.326 3.555
178 HB1 ALA 30 1HB ALA 30 9.789 -2.164 3.855
179 HB2 ALA 30 2HB ALA 30 8.692 -2.785 5.089
180 HB3 ALA 30 3HB ALA 30 9.829 -3.871 4.292
181 H LYS 31 H LYS 31 8.174 -3.598 0.570
182 HA LYS 31 HA LYS 31 7.799 -0.755 -0.005
183 HB3 LYS 31 2HB LYS 31 10.143 -2.431 -0.827
184 HG3 LYS 31 2HG LYS 31 10.550 -0.289 -2.357
185 HD3 LYS 31 2HD LYS 31 9.527 -1.707 -4.262
186 HE3 LYS 31 2HE LYS 31 11.751 -2.435 -2.423
187 HZ1 LYS 31 1HZ LYS 31 10.834 -4.126 -4.684
188 HZ2 LYS 31 2HZ LYS 31 10.953 -4.587 -3.061
189 HZ3 LYS 31 3HZ LYS 31 12.353 -4.253 -3.950
190 H CYS 32 H CYS 32 6.629 -0.344 -1.827
191 HA CYS 32 HA CYS 32 4.895 -2.236 -2.840
192 HB3 CYS 32 2HB CYS 32 5.338 -0.335 -4.902
193 H VAL 33 H VAL 33 5.341 -4.040 -3.906
194 HA VAL 33 HA VAL 33 7.496 -3.992 -5.918
195 HB VAL 33 HB VAL 33 7.458 -6.551 -5.543
196 HG11 VAL 33 1HG1 VAL 33 8.661 -5.705 -3.123
197 HG12 VAL 33 2HG1 VAL 33 9.436 -6.049 -4.669
198 HG13 VAL 33 3HG1 VAL 33 8.877 -4.416 -4.307
199 HG21 VAL 33 1HG2 VAL 33 5.380 -5.963 -3.886
200 HG22 VAL 33 2HG2 VAL 33 6.347 -7.436 -3.802
201 HG23 VAL 33 3HG2 VAL 33 6.721 -6.074 -2.745
202 H SER 34 H SER 34 7.014 -4.551 -7.956
203 HA SER 34 HA SER 34 4.412 -4.610 -8.903
204 HB3 SER 34 2HB SER 34 7.057 -5.404 -10.047
205 HG SER 34 HG SER 34 6.186 -6.610 -11.514
Start of MODEL 9
1 H1 SER 1 H SER 1 1.108 19.489 -12.174
2 HA SER 1 HA SER 1 -1.279 20.581 -13.353
3 HB3 SER 1 2HB SER 1 0.833 21.763 -13.624
4 HG SER 1 HG SER 1 2.007 20.164 -15.437
5 H GLN 2 H GLN 2 -2.701 19.059 -14.014
6 HA GLN 2 HA GLN 2 -3.626 17.397 -15.260
7 HB3 GLN 2 2HB GLN 2 -1.288 17.466 -17.128
8 HG3 GLN 2 2HG GLN 2 -4.121 17.759 -17.963
9 HE21 GLN 2 1HE2 GLN 2 -2.764 14.898 -18.906
10 HE22 GLN 2 2HE2 GLN 2 -2.092 15.390 -20.419
11 H GLU 3 H GLU 3 -2.010 16.608 -13.094
12 HA GLU 3 HA GLU 3 -1.115 13.983 -14.064
13 HB3 GLU 3 2HB GLU 3 0.878 15.342 -13.648
14 HG3 GLU 3 2HG GLU 3 -0.250 15.646 -10.879
15 H GLN 4 H GLN 4 -0.611 12.616 -11.895
16 HA GLN 4 HA GLN 4 -2.656 13.098 -9.879
17 HB3 GLN 4 2HB GLN 4 -2.558 10.395 -11.184
18 HG3 GLN 4 2HG GLN 4 -4.534 11.858 -9.478
19 HE21 GLN 4 1HE2 GLN 4 -6.506 10.639 -9.007
20 HE22 GLN 4 2HE2 GLN 4 -7.292 9.804 -10.300
21 H ARG 5 H ARG 5 -1.064 13.319 -8.339
22 HA ARG 5 HA ARG 5 1.132 11.574 -8.033
23 HB3 ARG 5 2HB ARG 5 -0.200 13.327 -5.962
24 HG3 ARG 5 2HG ARG 5 1.763 11.497 -5.481
25 HD3 ARG 5 2HD ARG 5 2.994 14.068 -6.365
26 HE ARG 5 HE ARG 5 3.707 12.806 -3.914
27 HH11 ARG 5 1HH1 ARG 5 5.019 14.364 -6.737
28 HH12 ARG 5 2HH1 ARG 5 6.464 14.888 -5.937
29 HH21 ARG 5 1HH2 ARG 5 5.605 13.489 -2.850
30 HH22 ARG 5 2HH2 ARG 5 6.797 14.389 -3.726
31 H GLN 6 H GLN 6 0.988 9.480 -7.586
32 HA GLN 6 HA GLN 6 -1.294 8.317 -6.323
33 HB3 GLN 6 2HB GLN 6 -0.112 6.210 -6.541
34 HG3 GLN 6 2HG GLN 6 0.193 8.045 -8.888
35 HE21 GLN 6 1HE2 GLN 6 -0.070 4.550 -8.367
36 HE22 GLN 6 2HE2 GLN 6 1.182 4.115 -9.476
37 H CYS 7 H CYS 7 -0.456 6.449 -4.600
38 HA CYS 7 HA CYS 7 0.332 8.046 -2.293
39 HB3 CYS 7 2HB CYS 7 -0.605 6.360 -0.948
40 H LYS 8 H LYS 8 1.236 4.927 -3.761
41 HA LYS 8 HA LYS 8 4.022 5.411 -3.271
42 HB3 LYS 8 2HB LYS 8 4.073 3.083 -1.989
43 HG3 LYS 8 2HG LYS 8 4.417 5.699 -1.195
44 HD3 LYS 8 2HD LYS 8 1.991 4.842 -0.058
45 HE3 LYS 8 2HE LYS 8 4.248 4.910 1.943
46 HZ1 LYS 8 1HZ LYS 8 1.376 4.541 2.546
47 HZ2 LYS 8 2HZ LYS 8 2.103 6.068 2.579
48 HZ3 LYS 8 3HZ LYS 8 2.644 4.851 3.622
49 H LYS 9 H LYS 9 4.619 4.923 -5.299
50 HA LYS 9 HA LYS 9 3.484 2.683 -6.721
51 HB3 LYS 9 2HB LYS 9 4.887 3.389 -8.571
52 HG3 LYS 9 2HG LYS 9 3.166 5.269 -7.197
53 HD3 LYS 9 2HD LYS 9 4.746 6.635 -9.278
54 HE3 LYS 9 2HE LYS 9 3.656 7.494 -6.600
55 HZ1 LYS 9 1HZ LYS 9 3.811 9.682 -8.136
56 HZ2 LYS 9 2HZ LYS 9 5.198 8.853 -8.633
57 HZ3 LYS 9 3HZ LYS 9 4.983 9.237 -6.999
58 H ILE 10 H ILE 10 5.522 1.595 -8.120
59 HA ILE 10 HA ILE 10 6.588 -0.299 -6.334
60 HB ILE 10 HB ILE 10 7.546 0.319 -9.130
61 HG13 ILE 10 2HG1 ILE 10 6.014 -1.520 -9.803
62 HG21 ILE 10 1HG2 ILE 10 8.198 -1.756 -7.151
63 HG22 ILE 10 2HG2 ILE 10 7.882 -2.342 -8.783
64 HG23 ILE 10 3HG2 ILE 10 9.143 -1.140 -8.507
65 HD11 ILE 10 1HD1 ILE 10 4.312 -1.289 -7.453
66 HD12 ILE 10 2HD1 ILE 10 4.735 -2.702 -8.420
67 HD13 ILE 10 3HD1 ILE 10 5.826 -2.142 -7.153
68 H GLY 11 H GLY 11 8.259 -0.154 -4.998
69 HA2 GLY 11 2HA GLY 11 10.611 0.209 -4.646
70 HA3 GLY 11 3HA GLY 11 10.525 1.569 -5.755
71 H GLU 12 H GLU 12 7.830 1.714 -3.861
72 HA GLU 12 HA GLU 12 8.993 3.838 -2.249
73 HB3 GLU 12 2HB GLU 12 6.606 4.268 -1.606
74 HG3 GLU 12 2HG GLU 12 5.998 5.350 -3.547
75 H HIS 13 H HIS 13 7.903 3.996 0.048
76 HA HIS 13 HA HIS 13 8.455 1.434 1.376
77 HB3 HIS 13 2HB HIS 13 8.392 4.179 2.638
78 HD1 HIS 13 1HD HIS 13 7.521 3.240 4.875
79 HD2 HIS 13 2HD HIS 13 10.973 1.386 3.493
80 HE1 HIS 13 1HE HIS 13 8.379 1.886 6.812
81 H CYS 14 H CYS 14 7.024 0.535 2.809
82 HA CYS 14 HA CYS 14 4.700 1.878 3.760
83 HB3 CYS 14 2HB CYS 14 3.780 1.608 1.597
84 H TYR 15 H TYR 15 3.633 0.718 5.356
85 HA TYR 15 HA TYR 15 5.106 -1.569 6.374
86 HB3 TYR 15 2HB TYR 15 3.653 -1.290 8.375
87 HD1 TYR 15 1HD TYR 15 3.681 2.213 7.594
88 HD2 TYR 15 2HD TYR 15 6.126 -1.028 8.867
89 HE1 TYR 15 1HE TYR 15 5.346 3.811 8.444
90 HE2 TYR 15 2HE TYR 15 7.797 0.562 9.721
91 HH TYR 15 HH TYR 15 8.387 3.148 9.052
92 H VAL 16 H VAL 16 1.973 -0.816 5.005
93 HA VAL 16 HA VAL 16 1.394 -3.696 4.892
94 HB VAL 16 HB VAL 16 -1.043 -3.130 5.222
95 HG11 VAL 16 1HG1 VAL 16 0.792 -3.906 6.994
96 HG12 VAL 16 2HG1 VAL 16 0.327 -2.374 7.738
97 HG13 VAL 16 3HG1 VAL 16 -0.890 -3.614 7.435
98 HG21 VAL 16 1HG2 VAL 16 -0.303 -0.563 4.945
99 HG22 VAL 16 2HG2 VAL 16 -1.761 -1.064 5.800
100 HG23 VAL 16 3HG2 VAL 16 -0.294 -0.688 6.705
101 H ALA 17 H ALA 17 -0.624 -4.007 3.384
102 HA ALA 17 HA ALA 17 0.143 -3.076 0.814
103 HB1 ALA 17 1HB ALA 17 -2.153 -4.699 1.845
104 HB2 ALA 17 2HB ALA 17 -2.104 -4.167 0.164
105 HB3 ALA 17 3HB ALA 17 -0.818 -5.191 0.802
106 H ASP 18 H ASP 18 -2.532 -2.271 2.992
107 HA ASP 18 HA ASP 18 -3.993 -0.604 1.323
108 HB3 ASP 18 2HB ASP 18 -3.564 -0.505 4.309
109 H GLU 19 H GLU 19 -1.054 0.029 3.123
110 HA GLU 19 HA GLU 19 -1.032 2.830 2.932
111 HB3 GLU 19 2HB GLU 19 1.536 2.456 3.067
112 HG3 GLU 19 2HG GLU 19 1.308 1.481 5.439
113 H CYS 20 H CYS 20 -0.144 0.325 0.663
114 HA CYS 20 HA CYS 20 1.012 2.249 -1.194
115 HB3 CYS 20 2HB CYS 20 0.730 -0.310 -2.399
116 H CYS 21 H CYS 21 -0.074 3.174 -2.802
117 HA CYS 21 HA CYS 21 -2.848 2.941 -3.090
118 HB3 CYS 21 2HB CYS 21 -1.781 3.895 -5.539
119 H SER 22 H SER 22 -0.227 1.207 -4.584
120 HA SER 22 HA SER 22 -1.900 0.039 -6.636
121 HB3 SER 22 2HB SER 22 0.752 -1.148 -6.031
122 HG SER 22 HG SER 22 -0.048 -0.049 -8.480
123 H LYS 23 H LYS 23 -1.138 -0.596 -3.387
124 HA LYS 23 HA LYS 23 -1.721 -2.266 -1.956
125 HB3 LYS 23 2HB LYS 23 -3.571 -3.706 -2.522
126 HG3 LYS 23 2HG LYS 23 -4.855 -1.767 -4.052
127 HD3 LYS 23 2HD LYS 23 -4.607 -1.825 -1.048
128 HE3 LYS 23 2HE LYS 23 -7.165 -1.342 -2.447
129 HZ1 LYS 23 1HZ LYS 23 -7.540 0.095 -0.634
130 HZ2 LYS 23 2HZ LYS 23 -5.903 0.138 -0.212
131 HZ3 LYS 23 3HZ LYS 23 -6.798 -1.279 0.017
132 H ARG 24 H ARG 24 0.697 -2.551 -3.198
133 HA ARG 24 HA ARG 24 0.875 -5.470 -3.524
134 HB3 ARG 24 2HB ARG 24 3.037 -4.520 -4.933
135 HG3 ARG 24 2HG ARG 24 1.827 -5.108 -6.973
136 HD3 ARG 24 2HD ARG 24 2.517 -6.789 -4.961
137 HE ARG 24 HE ARG 24 -0.144 -6.816 -4.585
138 HH11 ARG 24 1HH1 ARG 24 2.060 -9.154 -5.924
139 HH12 ARG 24 2HH1 ARG 24 1.122 -10.520 -5.420
140 HH21 ARG 24 1HH2 ARG 24 -1.387 -8.607 -3.915
141 HH22 ARG 24 2HH2 ARG 24 -0.839 -10.209 -4.278
142 H CYS 25 H CYS 25 1.204 -3.857 -1.144
143 HA CYS 25 HA CYS 25 4.067 -3.770 -0.660
144 HB3 CYS 25 2HB CYS 25 1.988 -3.329 1.457
145 H LEU 26 H LEU 26 5.121 -4.964 0.977
146 HA LEU 26 HA LEU 26 3.685 -7.338 1.948
147 HB3 LEU 26 2HB LEU 26 6.511 -7.400 0.913
148 HG LEU 26 HG LEU 26 5.641 -9.262 2.494
149 HD11 LEU 26 1HD1 LEU 26 4.473 -10.354 -0.035
150 HD12 LEU 26 2HD1 LEU 26 3.490 -9.400 1.075
151 HD13 LEU 26 3HD1 LEU 26 4.243 -10.895 1.628
152 HD21 LEU 26 1HD2 LEU 26 7.197 -10.660 1.590
153 HD22 LEU 26 2HD2 LEU 26 7.628 -9.171 0.748
154 HD23 LEU 26 3HD2 LEU 26 6.644 -10.392 -0.063
155 H PHE 27 H PHE 27 4.475 -8.236 3.894
156 HA PHE 27 HA PHE 27 5.435 -6.334 5.758
157 HB3 PHE 27 2HB PHE 27 5.689 -8.490 7.209
158 HD1 PHE 27 1HD PHE 27 4.309 -7.978 8.955
159 HD2 PHE 27 2HD PHE 27 2.777 -7.747 4.990
160 HE1 PHE 27 1HE PHE 27 2.126 -7.269 9.843
161 HE2 PHE 27 2HE PHE 27 0.592 -7.038 5.872
162 HZ PHE 27 HZ PHE 27 0.265 -6.797 8.301
163 H TYR 28 H TYR 28 6.983 -8.777 3.813
164 HA TYR 28 HA TYR 28 9.493 -8.578 5.253
165 HB3 TYR 28 2HB TYR 28 10.312 -10.162 3.502
166 HD1 TYR 28 1HD TYR 28 10.603 -11.255 5.687
167 HD2 TYR 28 2HD TYR 28 6.847 -11.262 3.688
168 HE1 TYR 28 1HE TYR 28 9.831 -13.072 7.155
169 HE2 TYR 28 2HE TYR 28 6.065 -13.076 5.151
170 HH TYR 28 HH TYR 28 6.635 -13.948 7.469
171 H ALA 29 H ALA 29 8.303 -7.827 1.983
172 HA ALA 29 HA ALA 29 10.696 -6.573 1.124
173 HB1 ALA 29 1HB ALA 29 8.427 -7.425 -0.117
174 HB2 ALA 29 2HB ALA 29 8.232 -5.673 -0.175
175 HB3 ALA 29 3HB ALA 29 9.672 -6.424 -0.863
176 H ALA 30 H ALA 30 7.689 -5.355 2.530
177 HA ALA 30 HA ALA 30 7.150 -3.364 3.491
178 HB1 ALA 30 1HB ALA 30 9.802 -3.868 4.223
179 HB2 ALA 30 2HB ALA 30 9.751 -2.170 3.748
180 HB3 ALA 30 3HB ALA 30 8.663 -2.767 5.001
181 H LYS 31 H LYS 31 8.117 -3.668 0.503
182 HA LYS 31 HA LYS 31 7.700 -0.840 -0.112
183 HB3 LYS 31 2HB LYS 31 10.059 -2.496 -0.931
184 HG3 LYS 31 2HG LYS 31 10.430 -0.374 -2.494
185 HD3 LYS 31 2HD LYS 31 9.408 -1.819 -4.372
186 HE3 LYS 31 2HE LYS 31 11.740 -2.174 -2.717
187 HZ1 LYS 31 1HZ LYS 31 12.207 -4.393 -2.981
188 HZ2 LYS 31 2HZ LYS 31 11.079 -4.613 -4.222
189 HZ3 LYS 31 3HZ LYS 31 10.555 -4.459 -2.621
190 H CYS 32 H CYS 32 6.513 -0.471 -1.933
191 HA CYS 32 HA CYS 32 4.797 -2.403 -2.901
192 HB3 CYS 32 2HB CYS 32 5.193 -0.521 -4.990
193 H VAL 33 H VAL 33 5.263 -4.215 -3.947
194 HA VAL 33 HA VAL 33 7.399 -4.157 -5.979
195 HB VAL 33 HB VAL 33 7.405 -6.711 -5.573
196 HG11 VAL 33 1HG1 VAL 33 8.611 -5.816 -3.172
197 HG12 VAL 33 2HG1 VAL 33 9.381 -6.171 -4.720
198 HG13 VAL 33 3HG1 VAL 33 8.800 -4.540 -4.374
199 HG21 VAL 33 1HG2 VAL 33 6.323 -7.592 -3.814
200 HG22 VAL 33 2HG2 VAL 33 6.681 -6.213 -2.775
201 HG23 VAL 33 3HG2 VAL 33 5.330 -6.137 -3.905
202 H SER 34 H SER 34 6.908 -4.747 -8.007
203 HA SER 34 HA SER 34 4.301 -4.856 -8.931
204 HB3 SER 34 2HB SER 34 6.926 -5.716 -10.105
205 HG SER 34 HG SER 34 5.789 -6.123 -12.060
Start of MODEL 10
1 H1 SER 1 H SER 1 5.378 11.554 -14.561
2 HA SER 1 HA SER 1 4.100 13.310 -13.367
3 HB3 SER 1 2HB SER 1 4.268 15.085 -15.273
4 HG SER 1 HG SER 1 6.365 15.278 -14.780
5 H GLN 2 H GLN 2 2.026 11.722 -13.648
6 HA GLN 2 HA GLN 2 0.080 13.036 -15.400
7 HB3 GLN 2 2HB GLN 2 -0.831 10.735 -13.824
8 HG3 GLN 2 2HG GLN 2 -0.708 11.069 -16.806
9 HE21 GLN 2 1HE2 GLN 2 -3.232 10.173 -14.520
10 HE22 GLN 2 2HE2 GLN 2 -3.467 8.573 -15.126
11 H GLU 3 H GLU 3 -2.117 13.401 -14.508
12 HA GLU 3 HA GLU 3 -2.003 15.049 -12.224
13 HB3 GLU 3 2HB GLU 3 -3.638 15.318 -14.071
14 HG3 GLU 3 2HG GLU 3 -5.182 13.084 -12.786
15 H GLN 4 H GLN 4 -3.308 14.803 -10.255
16 HA GLN 4 HA GLN 4 -3.801 13.717 -8.319
17 HB3 GLN 4 2HB GLN 4 -4.587 11.178 -8.895
18 HG3 GLN 4 2HG GLN 4 -6.416 13.429 -9.615
19 HE21 GLN 4 1HE2 GLN 4 -8.561 12.974 -9.121
20 HE22 GLN 4 2HE2 GLN 4 -9.109 11.368 -8.806
21 H ARG 5 H ARG 5 -1.814 13.591 -7.359
22 HA ARG 5 HA ARG 5 0.219 11.774 -8.087
23 HB3 ARG 5 2HB ARG 5 -0.056 12.858 -5.305
24 HG3 ARG 5 2HG ARG 5 2.358 12.816 -7.089
25 HD3 ARG 5 2HD ARG 5 1.776 13.485 -4.263
26 HE ARG 5 HE ARG 5 3.862 11.650 -4.878
27 HH11 ARG 5 1HH1 ARG 5 3.093 14.451 -2.957
28 HH12 ARG 5 2HH1 ARG 5 4.258 14.090 -1.728
29 HH21 ARG 5 1HH2 ARG 5 5.401 11.165 -3.266
30 HH22 ARG 5 2HH2 ARG 5 5.571 12.220 -1.905
31 H GLN 6 H GLN 6 0.814 9.797 -7.263
32 HA GLN 6 HA GLN 6 -1.310 8.227 -6.113
33 HB3 GLN 6 2HB GLN 6 0.649 6.460 -6.169
34 HG3 GLN 6 2HG GLN 6 -1.378 6.795 -7.788
35 HE21 GLN 6 1HE2 GLN 6 -2.034 7.969 -9.426
36 HE22 GLN 6 2HE2 GLN 6 -1.041 8.645 -10.667
37 H CYS 7 H CYS 7 -0.478 6.535 -4.379
38 HA CYS 7 HA CYS 7 0.348 8.144 -2.095
39 HB3 CYS 7 2HB CYS 7 -0.583 6.475 -0.726
40 H LYS 8 H LYS 8 1.213 5.008 -3.550
41 HA LYS 8 HA LYS 8 4.009 5.477 -3.087
42 HB3 LYS 8 2HB LYS 8 4.066 3.157 -1.803
43 HG3 LYS 8 2HG LYS 8 4.406 5.766 -1.003
44 HD3 LYS 8 2HD LYS 8 1.962 4.949 0.098
45 HE3 LYS 8 2HE LYS 8 3.568 3.653 1.672
46 HZ1 LYS 8 1HZ LYS 8 4.970 5.738 1.985
47 HZ2 LYS 8 2HZ LYS 8 4.570 4.857 3.372
48 HZ3 LYS 8 3HZ LYS 8 3.736 6.283 3.005
49 H LYS 9 H LYS 9 4.578 4.992 -5.124
50 HA LYS 9 HA LYS 9 3.423 2.752 -6.531
51 HB3 LYS 9 2HB LYS 9 4.822 3.455 -8.397
52 HG3 LYS 9 2HG LYS 9 4.217 6.164 -7.629
53 HD3 LYS 9 2HD LYS 9 2.356 5.597 -9.412
54 HE3 LYS 9 2HE LYS 9 5.009 5.349 -10.648
55 HZ1 LYS 9 1HZ LYS 9 2.578 6.518 -11.232
56 HZ2 LYS 9 2HZ LYS 9 3.995 6.593 -12.155
57 HZ3 LYS 9 3HZ LYS 9 3.656 7.807 -11.025
58 H ILE 10 H ILE 10 5.397 1.623 -7.945
59 HA ILE 10 HA ILE 10 6.505 -0.253 -6.178
60 HB ILE 10 HB ILE 10 7.428 0.361 -8.986
61 HG13 ILE 10 2HG1 ILE 10 5.882 -1.472 -9.641
62 HG21 ILE 10 1HG2 ILE 10 8.098 -1.714 -7.016
63 HG22 ILE 10 2HG2 ILE 10 7.760 -2.301 -8.643
64 HG23 ILE 10 3HG2 ILE 10 9.027 -1.102 -8.384
65 HD11 ILE 10 1HD1 ILE 10 5.726 -2.102 -6.995
66 HD12 ILE 10 2HD1 ILE 10 4.215 -1.232 -7.264
67 HD13 ILE 10 3HD1 ILE 10 4.606 -2.644 -8.244
68 H GLY 11 H GLY 11 8.188 -0.097 -4.857
69 HA2 GLY 11 2HA GLY 11 10.547 0.260 -4.539
70 HA3 GLY 11 3HA GLY 11 10.447 1.618 -5.649
71 H GLU 12 H GLU 12 7.778 1.762 -3.716
72 HA GLU 12 HA GLU 12 8.969 3.883 -2.116
73 HB3 GLU 12 2HB GLU 12 6.582 4.316 -1.449
74 HG3 GLU 12 2HG GLU 12 5.981 5.436 -3.370
75 H HIS 13 H HIS 13 7.940 4.052 0.192
76 HA HIS 13 HA HIS 13 8.472 1.483 1.512
77 HB3 HIS 13 2HB HIS 13 8.425 4.227 2.779
78 HD1 HIS 13 1HD HIS 13 7.580 3.293 5.024
79 HD2 HIS 13 2HD HIS 13 11.004 1.419 3.601
80 HE1 HIS 13 1HE HIS 13 8.451 1.931 6.950
81 H CYS 14 H CYS 14 7.054 0.596 2.970
82 HA CYS 14 HA CYS 14 4.740 1.944 3.934
83 HB3 CYS 14 2HB CYS 14 3.805 1.674 1.776
84 H TYR 15 H TYR 15 3.680 0.784 5.536
85 HA TYR 15 HA TYR 15 5.156 -1.507 6.542
86 HB3 TYR 15 2HB TYR 15 3.681 -1.224 8.548
87 HD1 TYR 15 1HD TYR 15 6.278 -1.066 8.807
88 HD2 TYR 15 2HD TYR 15 3.749 2.272 8.060
89 HE1 TYR 15 1HE TYR 15 8.013 0.438 9.689
90 HE2 TYR 15 2HE TYR 15 5.477 3.785 8.938
91 HH TYR 15 HH TYR 15 8.677 2.624 9.791
92 H VAL 16 H VAL 16 2.010 -0.738 5.209
93 HA VAL 16 HA VAL 16 1.415 -3.614 5.104
94 HB VAL 16 HB VAL 16 -1.003 -3.067 5.477
95 HG11 VAL 16 1HG1 VAL 16 -0.779 -3.566 7.660
96 HG12 VAL 16 2HG1 VAL 16 0.938 -3.668 7.267
97 HG13 VAL 16 3HG1 VAL 16 0.280 -2.192 7.973
98 HG21 VAL 16 1HG2 VAL 16 -1.751 -0.997 5.998
99 HG22 VAL 16 2HG2 VAL 16 -0.277 -0.563 6.866
100 HG23 VAL 16 3HG2 VAL 16 -0.314 -0.498 5.104
101 H ALA 17 H ALA 17 -0.614 -3.921 3.612
102 HA ALA 17 HA ALA 17 0.131 -2.991 1.035
103 HB1 ALA 17 1HB ALA 17 -2.151 -4.616 2.090
104 HB2 ALA 17 2HB ALA 17 -2.130 -4.077 0.410
105 HB3 ALA 17 3HB ALA 17 -0.832 -5.101 1.025
106 H ASP 18 H ASP 18 -2.526 -2.185 3.235
107 HA ASP 18 HA ASP 18 -3.997 -0.514 1.578
108 HB3 ASP 18 2HB ASP 18 -3.607 0.115 4.491
109 H GLU 19 H GLU 19 -1.043 0.112 3.357
110 HA GLU 19 HA GLU 19 -1.020 2.913 3.172
111 HB3 GLU 19 2HB GLU 19 1.546 2.540 3.292
112 HG3 GLU 19 2HG GLU 19 1.019 1.256 5.654
113 H CYS 20 H CYS 20 -0.152 0.412 0.892
114 HA CYS 20 HA CYS 20 0.997 2.334 -0.970
115 HB3 CYS 20 2HB CYS 20 0.694 -0.222 -2.176
116 H CYS 21 H CYS 21 -0.098 3.268 -2.568
117 HA CYS 21 HA CYS 21 -2.874 3.048 -2.836
118 HB3 CYS 21 2HB CYS 21 -1.819 4.002 -5.292
119 H SER 22 H SER 22 -0.270 1.310 -4.359
120 HA SER 22 HA SER 22 -1.964 0.151 -6.398
121 HB3 SER 22 2HB SER 22 0.927 -0.123 -5.636
122 HG SER 22 HG SER 22 0.601 -1.587 -7.737
123 H LYS 23 H LYS 23 -1.178 -0.496 -3.156
124 HA LYS 23 HA LYS 23 -1.758 -2.167 -1.725
125 HB3 LYS 23 2HB LYS 23 -3.621 -3.593 -2.277
126 HG3 LYS 23 2HG LYS 23 -4.907 -1.640 -3.788
127 HD3 LYS 23 2HD LYS 23 -4.634 -1.715 -0.786
128 HE3 LYS 23 2HE LYS 23 -6.625 -0.606 -2.719
129 HZ1 LYS 23 1HZ LYS 23 -7.472 -0.834 0.049
130 HZ2 LYS 23 2HZ LYS 23 -7.532 -2.265 -0.851
131 HZ3 LYS 23 3HZ LYS 23 -8.386 -0.901 -1.374
132 H ARG 24 H ARG 24 0.650 -2.467 -2.961
133 HA ARG 24 HA ARG 24 0.805 -5.385 -3.302
134 HB3 ARG 24 2HB ARG 24 2.956 -4.460 -4.736
135 HG3 ARG 24 2HG ARG 24 1.718 -5.024 -6.763
136 HD3 ARG 24 2HD ARG 24 0.781 -6.997 -4.729
137 HE ARG 24 HE ARG 24 2.354 -7.935 -6.902
138 HH11 ARG 24 1HH1 ARG 24 -0.810 -6.741 -6.076
139 HH12 ARG 24 2HH1 ARG 24 -1.605 -7.572 -7.371
140 HH21 ARG 24 1HH2 ARG 24 1.319 -9.035 -8.612
141 HH22 ARG 24 2HH2 ARG 24 -0.392 -8.878 -8.812
142 H CYS 25 H CYS 25 1.169 -3.775 -0.927
143 HA CYS 25 HA CYS 25 4.037 -3.701 -0.472
144 HB3 CYS 25 2HB CYS 25 1.981 -3.254 1.667
145 H LEU 26 H LEU 26 5.104 -4.905 1.150
146 HA LEU 26 HA LEU 26 3.667 -7.271 2.135
147 HB3 LEU 26 2HB LEU 26 6.480 -7.347 1.068
148 HG LEU 26 HG LEU 26 5.617 -9.207 2.656
149 HD11 LEU 26 1HD1 LEU 26 4.418 -10.291 0.138
150 HD12 LEU 26 2HD1 LEU 26 3.450 -9.332 1.256
151 HD13 LEU 26 3HD1 LEU 26 4.201 -10.831 1.803
152 HD21 LEU 26 1HD2 LEU 26 6.587 -10.334 0.084
153 HD22 LEU 26 2HD2 LEU 26 7.153 -10.617 1.731
154 HD23 LEU 26 3HD2 LEU 26 7.587 -9.126 0.893
155 H PHE 27 H PHE 27 4.476 -8.177 4.070
156 HA PHE 27 HA PHE 27 5.469 -6.281 5.924
157 HB3 PHE 27 2HB PHE 27 5.725 -8.436 7.374
158 HD1 PHE 27 1HD PHE 27 2.801 -7.674 5.177
159 HD2 PHE 27 2HD PHE 27 4.357 -7.928 9.131
160 HE1 PHE 27 1HE PHE 27 0.625 -6.955 6.076
161 HE2 PHE 27 2HE PHE 27 2.184 -7.210 10.036
162 HZ PHE 27 HZ PHE 27 0.314 -6.724 8.508
163 H TYR 28 H TYR 28 6.979 -8.727 3.956
164 HA TYR 28 HA TYR 28 9.506 -8.551 5.368
165 HB3 TYR 28 2HB TYR 28 10.294 -10.129 3.595
166 HD1 TYR 28 1HD TYR 28 10.613 -11.231 5.772
167 HD2 TYR 28 2HD TYR 28 6.829 -11.216 3.828
168 HE1 TYR 28 1HE TYR 28 9.856 -13.052 7.244
169 HE2 TYR 28 2HE TYR 28 6.061 -13.035 5.294
170 HH TYR 28 HH TYR 28 8.066 -14.929 7.077
171 H ALA 29 H ALA 29 8.288 -7.780 2.113
172 HA ALA 29 HA ALA 29 10.681 -6.532 1.240
173 HB1 ALA 29 1HB ALA 29 9.635 -6.312 -0.741
174 HB2 ALA 29 2HB ALA 29 8.450 -7.398 -0.015
175 HB3 ALA 29 3HB ALA 29 8.167 -5.657 -0.014
176 H ALA 30 H ALA 30 7.687 -5.309 2.670
177 HA ALA 30 HA ALA 30 7.161 -3.320 3.645
178 HB1 ALA 30 1HB ALA 30 8.692 -2.742 5.144
179 HB2 ALA 30 2HB ALA 30 9.828 -3.825 4.339
180 HB3 ALA 30 3HB ALA 30 9.759 -2.122 3.883
181 H LYS 31 H LYS 31 8.101 -3.619 0.645
182 HA LYS 31 HA LYS 31 7.679 -0.788 0.041
183 HB3 LYS 31 2HB LYS 31 10.029 -2.446 -0.805
184 HG3 LYS 31 2HG LYS 31 10.385 -0.320 -2.366
185 HD3 LYS 31 2HD LYS 31 9.345 -1.758 -4.238
186 HE3 LYS 31 2HE LYS 31 11.690 -2.128 -2.602
187 HZ1 LYS 31 1HZ LYS 31 10.449 -4.419 -2.575
188 HZ2 LYS 31 2HZ LYS 31 12.122 -4.338 -2.812
189 HZ3 LYS 31 3HZ LYS 31 11.089 -4.549 -4.136
190 H CYS 32 H CYS 32 6.477 -0.414 -1.769
191 HA CYS 32 HA CYS 32 4.747 -2.340 -2.723
192 HB3 CYS 32 2HB CYS 32 5.125 -0.461 -4.816
193 H VAL 33 H VAL 33 5.195 -4.152 -3.774
194 HA VAL 33 HA VAL 33 7.311 -4.100 -5.828
195 HB VAL 33 HB VAL 33 7.318 -6.655 -5.419
196 HG11 VAL 33 1HG1 VAL 33 8.730 -4.486 -4.242
197 HG12 VAL 33 2HG1 VAL 33 8.550 -5.757 -3.031
198 HG13 VAL 33 3HG1 VAL 33 9.302 -6.118 -4.585
199 HG21 VAL 33 1HG2 VAL 33 6.250 -7.533 -3.651
200 HG22 VAL 33 2HG2 VAL 33 6.625 -6.156 -2.614
201 HG23 VAL 33 3HG2 VAL 33 5.262 -6.074 -3.730
202 H SER 34 H SER 34 6.797 -4.693 -7.850
203 HA SER 34 HA SER 34 4.177 -4.801 -8.743
204 HB3 SER 34 2HB SER 34 6.769 -5.726 -9.966
205 HG SER 34 HG SER 34 4.830 -5.487 -11.789
Start of MODEL 11
1 H1 SER 1 H SER 1 5.890 21.349 -11.048
2 HA SER 1 HA SER 1 3.953 20.789 -12.280
3 HB3 SER 1 2HB SER 1 4.460 19.516 -14.534
4 HG SER 1 HG SER 1 3.480 21.407 -14.811
5 H GLN 2 H GLN 2 2.846 18.871 -12.092
6 HA GLN 2 HA GLN 2 4.169 16.332 -12.037
7 HB3 GLN 2 2HB GLN 2 2.925 17.104 -9.421
8 HG3 GLN 2 2HG GLN 2 3.492 14.723 -9.925
9 HE21 GLN 2 1HE2 GLN 2 4.730 13.854 -11.458
10 HE22 GLN 2 2HE2 GLN 2 6.456 13.916 -11.498
11 H GLU 3 H GLU 3 2.752 14.996 -12.927
12 HA GLU 3 HA GLU 3 -0.117 15.496 -12.497
13 HB3 GLU 3 2HB GLU 3 0.568 15.707 -14.831
14 HG3 GLU 3 2HG GLU 3 1.047 12.892 -15.332
15 H GLN 4 H GLN 4 -1.508 13.739 -12.112
16 HA GLN 4 HA GLN 4 -2.142 11.796 -11.115
17 HB3 GLN 4 2HB GLN 4 -0.052 10.003 -11.715
18 HG3 GLN 4 2HG GLN 4 -1.602 9.352 -13.637
19 HE21 GLN 4 1HE2 GLN 4 -3.921 10.162 -11.283
20 HE22 GLN 4 2HE2 GLN 4 -3.896 8.674 -10.406
21 H ARG 5 H ARG 5 -1.933 12.372 -8.979
22 HA ARG 5 HA ARG 5 0.649 11.944 -7.671
23 HB3 ARG 5 2HB ARG 5 -1.912 13.221 -6.706
24 HG3 ARG 5 2HG ARG 5 0.389 12.291 -5.187
25 HD3 ARG 5 2HD ARG 5 -0.565 15.020 -4.453
26 HE ARG 5 HE ARG 5 1.398 13.276 -3.440
27 HH11 ARG 5 1HH1 ARG 5 0.883 16.643 -4.157
28 HH12 ARG 5 2HH1 ARG 5 1.983 17.204 -2.942
29 HH21 ARG 5 1HH2 ARG 5 2.848 14.002 -1.836
30 HH22 ARG 5 2HH2 ARG 5 3.100 15.701 -1.622
31 H GLN 6 H GLN 6 0.961 9.855 -7.185
32 HA GLN 6 HA GLN 6 -1.269 8.252 -6.191
33 HB3 GLN 6 2HB GLN 6 0.627 6.442 -6.261
34 HG3 GLN 6 2HG GLN 6 0.404 6.609 -8.946
35 HE21 GLN 6 1HE2 GLN 6 -2.609 6.605 -7.189
36 HE22 GLN 6 2HE2 GLN 6 -2.824 4.891 -7.169
37 H CYS 7 H CYS 7 -0.447 6.559 -4.453
38 HA CYS 7 HA CYS 7 0.415 8.172 -2.185
39 HB3 CYS 7 2HB CYS 7 -0.529 6.523 -0.798
40 H LYS 8 H LYS 8 1.230 5.015 -3.625
41 HA LYS 8 HA LYS 8 4.034 5.450 -3.184
42 HB3 LYS 8 2HB LYS 8 4.069 3.137 -1.885
43 HG3 LYS 8 2HG LYS 8 4.449 5.748 -1.105
44 HD3 LYS 8 2HD LYS 8 2.001 4.980 0.013
45 HE3 LYS 8 2HE LYS 8 3.600 3.652 1.577
46 HZ1 LYS 8 1HZ LYS 8 4.490 4.903 3.374
47 HZ2 LYS 8 2HZ LYS 8 3.839 6.349 2.789
48 HZ3 LYS 8 3HZ LYS 8 5.091 5.584 1.947
49 H LYS 9 H LYS 9 4.587 4.942 -5.220
50 HA LYS 9 HA LYS 9 3.390 2.714 -6.608
51 HB3 LYS 9 2HB LYS 9 4.794 3.381 -8.483
52 HG3 LYS 9 2HG LYS 9 3.073 5.271 -7.123
53 HD3 LYS 9 2HD LYS 9 5.444 6.277 -8.633
54 HE3 LYS 9 2HE LYS 9 2.642 7.155 -8.974
55 HZ1 LYS 9 1HZ LYS 9 2.939 9.291 -8.530
56 HZ2 LYS 9 2HZ LYS 9 4.389 9.350 -9.400
57 HZ3 LYS 9 3HZ LYS 9 4.400 8.899 -7.769
58 H ILE 10 H ILE 10 5.377 1.576 -8.034
59 HA ILE 10 HA ILE 10 6.448 -0.321 -6.255
60 HB ILE 10 HB ILE 10 7.367 0.266 -9.071
61 HG13 ILE 10 2HG1 ILE 10 5.795 -1.553 -9.707
62 HG21 ILE 10 1HG2 ILE 10 7.670 -2.397 -8.718
63 HG22 ILE 10 2HG2 ILE 10 8.951 -1.213 -8.468
64 HG23 ILE 10 3HG2 ILE 10 8.022 -1.808 -7.093
65 HD11 ILE 10 1HD1 ILE 10 4.141 -1.276 -7.326
66 HD12 ILE 10 2HD1 ILE 10 4.516 -2.702 -8.293
67 HD13 ILE 10 3HD1 ILE 10 5.643 -2.157 -7.051
68 H GLY 11 H GLY 11 8.140 -0.186 -4.944
69 HA2 GLY 11 2HA GLY 11 10.505 0.138 -4.637
70 HA3 GLY 11 3HA GLY 11 10.420 1.493 -5.753
71 H GLU 12 H GLU 12 7.763 1.680 -3.805
72 HA GLU 12 HA GLU 12 8.987 3.794 -2.224
73 HB3 GLU 12 2HB GLU 12 6.618 4.270 -1.547
74 HG3 GLU 12 2HG GLU 12 6.005 5.361 -3.480
75 H HIS 13 H HIS 13 7.946 3.982 0.089
76 HA HIS 13 HA HIS 13 8.468 1.415 1.419
77 HB3 HIS 13 2HB HIS 13 8.468 4.165 2.671
78 HD1 HIS 13 1HD HIS 13 7.619 3.251 4.926
79 HD2 HIS 13 2HD HIS 13 11.013 1.328 3.496
80 HE1 HIS 13 1HE HIS 13 8.483 1.889 6.855
81 H CYS 14 H CYS 14 7.046 0.550 2.885
82 HA CYS 14 HA CYS 14 4.758 1.935 3.861
83 HB3 CYS 14 2HB CYS 14 3.802 1.670 1.712
84 H TYR 15 H TYR 15 3.693 0.796 5.475
85 HA TYR 15 HA TYR 15 5.143 -1.511 6.481
86 HB3 TYR 15 2HB TYR 15 3.821 -1.189 8.522
87 HD1 TYR 15 1HD TYR 15 3.660 2.279 7.470
88 HD2 TYR 15 2HD TYR 15 6.203 -0.743 9.055
89 HE1 TYR 15 1HE TYR 15 5.257 4.007 8.187
90 HE2 TYR 15 2HE TYR 15 7.805 0.977 9.778
91 HH TYR 15 HH TYR 15 7.050 4.368 9.640
92 H VAL 16 H VAL 16 2.004 -0.709 5.153
93 HA VAL 16 HA VAL 16 1.373 -3.578 5.063
94 HB VAL 16 HB VAL 16 -1.052 -2.959 5.422
95 HG11 VAL 16 1HG1 VAL 16 -0.463 -3.977 7.322
96 HG12 VAL 16 2HG1 VAL 16 1.095 -3.148 7.384
97 HG13 VAL 16 3HG1 VAL 16 -0.352 -2.356 8.010
98 HG21 VAL 16 1HG2 VAL 16 -0.310 -0.569 6.946
99 HG22 VAL 16 2HG2 VAL 16 -0.172 -0.389 5.198
100 HG23 VAL 16 3HG2 VAL 16 -1.709 -0.870 5.916
101 H ALA 17 H ALA 17 -0.671 -3.861 3.584
102 HA ALA 17 HA ALA 17 0.073 -2.951 1.000
103 HB1 ALA 17 1HB ALA 17 -2.224 -4.542 2.074
104 HB2 ALA 17 2HB ALA 17 -2.207 -4.007 0.393
105 HB3 ALA 17 3HB ALA 17 -0.920 -5.048 1.001
106 H ASP 18 H ASP 18 -2.560 -2.100 3.212
107 HA ASP 18 HA ASP 18 -4.017 -0.415 1.557
108 HB3 ASP 18 2HB ASP 18 -4.121 0.777 4.084
109 H GLU 19 H GLU 19 -1.044 0.177 3.317
110 HA GLU 19 HA GLU 19 -0.983 2.977 3.120
111 HB3 GLU 19 2HB GLU 19 1.651 2.328 3.051
112 HG3 GLU 19 2HG GLU 19 0.873 1.718 5.686
113 H CYS 20 H CYS 20 -0.163 0.455 0.845
114 HA CYS 20 HA CYS 20 0.999 2.355 -1.031
115 HB3 CYS 20 2HB CYS 20 0.657 -0.203 -2.225
116 H CYS 21 H CYS 21 -0.092 3.296 -2.627
117 HA CYS 21 HA CYS 21 -2.873 3.109 -2.878
118 HB3 CYS 21 2HB CYS 21 -1.819 4.040 -5.343
119 H SER 22 H SER 22 -0.301 1.330 -4.406
120 HA SER 22 HA SER 22 -2.018 0.187 -6.433
121 HB3 SER 22 2HB SER 22 0.635 -1.019 -5.834
122 HG SER 22 HG SER 22 0.196 -0.097 -8.334
123 H LYS 23 H LYS 23 -1.227 -0.458 -3.192
124 HA LYS 23 HA LYS 23 -1.822 -2.116 -1.752
125 HB3 LYS 23 2HB LYS 23 -3.705 -3.520 -2.291
126 HG3 LYS 23 2HG LYS 23 -4.973 -1.555 -3.803
127 HD3 LYS 23 2HD LYS 23 -4.686 -1.619 -0.802
128 HE3 LYS 23 2HE LYS 23 -7.137 -0.975 -2.409
129 HZ1 LYS 23 1HZ LYS 23 -6.966 0.502 -0.090
130 HZ2 LYS 23 2HZ LYS 23 -6.458 -1.051 0.344
131 HZ3 LYS 23 3HZ LYS 23 -7.972 -0.826 -0.377
132 H ARG 24 H ARG 24 0.576 -2.451 -3.004
133 HA ARG 24 HA ARG 24 0.691 -5.373 -3.332
134 HB3 ARG 24 2HB ARG 24 2.846 -4.481 -4.782
135 HG3 ARG 24 2HG ARG 24 1.590 -5.041 -6.799
136 HD3 ARG 24 2HD ARG 24 0.721 -6.954 -4.657
137 HE ARG 24 HE ARG 24 1.205 -7.195 -7.484
138 HH11 ARG 24 1HH1 ARG 24 1.054 -8.874 -4.438
139 HH12 ARG 24 2HH1 ARG 24 0.740 -10.419 -5.157
140 HH21 ARG 24 1HH2 ARG 24 0.792 -9.223 -8.442
141 HH22 ARG 24 2HH2 ARG 24 0.592 -10.617 -7.434
142 H CYS 25 H CYS 25 1.090 -3.758 -0.965
143 HA CYS 25 HA CYS 25 3.960 -3.718 -0.527
144 HB3 CYS 25 2HB CYS 25 1.922 -3.235 1.621
145 H LEU 26 H LEU 26 5.020 -4.926 1.097
146 HA LEU 26 HA LEU 26 3.559 -7.271 2.099
147 HB3 LEU 26 2HB LEU 26 6.367 -7.385 1.020
148 HG LEU 26 HG LEU 26 5.490 -9.228 2.621
149 HD11 LEU 26 1HD1 LEU 26 4.264 -10.308 0.115
150 HD12 LEU 26 2HD1 LEU 26 3.315 -9.333 1.235
151 HD13 LEU 26 3HD1 LEU 26 4.051 -10.839 1.783
152 HD21 LEU 26 1HD2 LEU 26 6.433 -10.380 0.051
153 HD22 LEU 26 2HD2 LEU 26 7.006 -10.658 1.695
154 HD23 LEU 26 3HD2 LEU 26 7.450 -9.178 0.844
155 H PHE 27 H PHE 27 4.365 -8.177 4.035
156 HA PHE 27 HA PHE 27 5.387 -6.286 5.876
157 HB3 PHE 27 2HB PHE 27 5.622 -8.435 7.336
158 HD1 PHE 27 1HD PHE 27 2.709 -7.636 5.139
159 HD2 PHE 27 2HD PHE 27 4.254 -7.926 9.094
160 HE1 PHE 27 1HE PHE 27 0.542 -6.892 6.036
161 HE2 PHE 27 2HE PHE 27 2.090 -7.184 9.998
162 HZ PHE 27 HZ PHE 27 0.230 -6.667 8.469
163 H TYR 28 H TYR 28 6.861 -8.762 3.917
164 HA TYR 28 HA TYR 28 9.396 -8.605 5.316
165 HB3 TYR 28 2HB TYR 28 10.158 -10.206 3.553
166 HD1 TYR 28 1HD TYR 28 6.680 -11.248 3.797
167 HD2 TYR 28 2HD TYR 28 10.464 -11.295 5.742
168 HE1 TYR 28 1HE TYR 28 5.891 -13.047 5.276
169 HE2 TYR 28 2HE TYR 28 9.686 -13.096 7.225
170 HH TYR 28 HH TYR 28 8.058 -14.631 7.562
171 H ALA 29 H ALA 29 8.171 -7.842 2.062
172 HA ALA 29 HA ALA 29 10.573 -6.629 1.167
173 HB1 ALA 29 1HB ALA 29 9.319 -5.911 -0.742
174 HB2 ALA 29 2HB ALA 29 8.793 -7.541 -0.317
175 HB3 ALA 29 3HB ALA 29 7.792 -6.153 0.109
176 H ALA 30 H ALA 30 7.606 -5.358 2.609
177 HA ALA 30 HA ALA 30 7.112 -3.356 3.574
178 HB1 ALA 30 1HB ALA 30 9.739 -2.205 3.784
179 HB2 ALA 30 2HB ALA 30 8.658 -2.773 5.057
180 HB3 ALA 30 3HB ALA 30 9.764 -3.900 4.272
181 H LYS 31 H LYS 31 8.030 -3.686 0.572
182 HA LYS 31 HA LYS 31 7.649 -0.851 -0.046
183 HB3 LYS 31 2HB LYS 31 9.968 -2.549 -0.896
184 HG3 LYS 31 2HG LYS 31 10.349 -0.437 -2.470
185 HD3 LYS 31 2HD LYS 31 9.277 -1.869 -4.328
186 HE3 LYS 31 2HE LYS 31 11.699 -1.966 -3.119
187 HZ1 LYS 31 1HZ LYS 31 10.327 -4.324 -2.309
188 HZ2 LYS 31 2HZ LYS 31 11.856 -3.763 -1.852
189 HZ3 LYS 31 3HZ LYS 31 11.683 -4.705 -3.246
190 H CYS 32 H CYS 32 6.441 -0.470 -1.850
191 HA CYS 32 HA CYS 32 4.679 -2.375 -2.785
192 HB3 CYS 32 2HB CYS 32 5.069 -0.510 -4.888
193 H VAL 33 H VAL 33 5.096 -4.198 -3.832
194 HA VAL 33 HA VAL 33 7.200 -4.183 -5.899
195 HB VAL 33 HB VAL 33 7.180 -6.734 -5.480
196 HG11 VAL 33 1HG1 VAL 33 9.174 -6.222 -4.651
197 HG12 VAL 33 2HG1 VAL 33 8.625 -4.578 -4.319
198 HG13 VAL 33 3HG1 VAL 33 8.432 -5.837 -3.099
199 HG21 VAL 33 1HG2 VAL 33 6.510 -6.219 -2.674
200 HG22 VAL 33 2HG2 VAL 33 5.139 -6.120 -3.780
201 HG23 VAL 33 3HG2 VAL 33 6.106 -7.593 -3.704
202 H SER 34 H SER 34 6.665 -4.777 -7.914
203 HA SER 34 HA SER 34 4.041 -4.852 -8.793
204 HB3 SER 34 2HB SER 34 6.588 -5.887 -10.039
205 HG SER 34 HG SER 34 5.313 -6.935 -11.347
Start of MODEL 12
1 H1 SER 1 H SER 1 -1.365 16.685 -20.422
2 HA SER 1 HA SER 1 -2.972 17.135 -18.369
3 HB3 SER 1 2HB SER 1 -4.708 15.388 -18.284
4 HG SER 1 HG SER 1 -5.099 16.606 -20.775
5 H GLN 2 H GLN 2 -1.620 16.480 -16.844
6 HA GLN 2 HA GLN 2 -0.658 13.702 -16.915
7 HB3 GLN 2 2HB GLN 2 1.139 15.232 -17.668
8 HG3 GLN 2 2HG GLN 2 1.755 16.292 -15.046
9 HE21 GLN 2 1HE2 GLN 2 1.074 18.985 -16.003
10 HE22 GLN 2 2HE2 GLN 2 2.226 19.348 -17.238
11 H GLU 3 H GLU 3 -0.474 12.675 -14.945
12 HA GLU 3 HA GLU 3 -1.407 14.196 -12.601
13 HB3 GLU 3 2HB GLU 3 -3.233 12.815 -13.219
14 HG3 GLU 3 2HG GLU 3 -1.189 10.925 -14.032
15 H GLN 4 H GLN 4 -0.760 13.265 -10.514
16 HA GLN 4 HA GLN 4 1.260 11.288 -10.332
17 HB3 GLN 4 2HB GLN 4 2.673 12.980 -11.339
18 HG3 GLN 4 2HG GLN 4 1.722 14.757 -9.109
19 HE21 GLN 4 1HE2 GLN 4 3.928 14.689 -11.893
20 HE22 GLN 4 2HE2 GLN 4 5.132 15.701 -11.179
21 H ARG 5 H ARG 5 -1.164 11.779 -9.032
22 HA ARG 5 HA ARG 5 -0.396 12.707 -6.358
23 HB3 ARG 5 2HB ARG 5 -3.190 11.916 -7.072
24 HG3 ARG 5 2HG ARG 5 -2.182 14.258 -5.478
25 HD3 ARG 5 2HD ARG 5 -4.577 14.097 -6.508
26 HE ARG 5 HE ARG 5 -4.683 11.867 -4.783
27 HH11 ARG 5 1HH1 ARG 5 -6.530 14.657 -5.741
28 HH12 ARG 5 2HH1 ARG 5 -8.061 13.926 -5.395
29 HH21 ARG 5 1HH2 ARG 5 -6.693 10.892 -4.322
30 HH22 ARG 5 2HH2 ARG 5 -8.153 11.784 -4.586
31 H GLN 6 H GLN 6 0.655 10.248 -7.208
32 HA GLN 6 HA GLN 6 -0.946 8.097 -6.180
33 HB3 GLN 6 2HB GLN 6 1.474 6.975 -6.347
34 HG3 GLN 6 2HG GLN 6 -0.730 7.011 -7.982
35 HE21 GLN 6 1HE2 GLN 6 -1.194 7.237 -10.120
36 HE22 GLN 6 2HE2 GLN 6 -0.181 8.080 -11.237
37 H CYS 7 H CYS 7 -0.238 6.691 -4.413
38 HA CYS 7 HA CYS 7 0.636 8.292 -2.140
39 HB3 CYS 7 2HB CYS 7 -0.332 6.653 -0.758
40 H LYS 8 H LYS 8 1.418 5.128 -3.581
41 HA LYS 8 HA LYS 8 4.225 5.530 -3.128
42 HB3 LYS 8 2HB LYS 8 4.230 3.216 -1.831
43 HG3 LYS 8 2HG LYS 8 4.636 5.821 -1.047
44 HD3 LYS 8 2HD LYS 8 2.175 5.071 0.065
45 HE3 LYS 8 2HE LYS 8 3.755 3.742 1.640
46 HZ1 LYS 8 1HZ LYS 8 3.953 6.264 3.114
47 HZ2 LYS 8 2HZ LYS 8 5.107 5.954 1.916
48 HZ3 LYS 8 3HZ LYS 8 4.921 4.880 3.209
49 H LYS 9 H LYS 9 4.776 5.021 -5.165
50 HA LYS 9 HA LYS 9 3.563 2.802 -6.556
51 HB3 LYS 9 2HB LYS 9 4.970 3.461 -8.429
52 HG3 LYS 9 2HG LYS 9 4.441 6.188 -7.675
53 HD3 LYS 9 2HD LYS 9 2.525 5.582 -9.434
54 HE3 LYS 9 2HE LYS 9 5.331 5.561 -10.461
55 HZ1 LYS 9 1HZ LYS 9 4.453 7.016 -12.084
56 HZ2 LYS 9 2HZ LYS 9 3.019 7.255 -11.218
57 HZ3 LYS 9 3HZ LYS 9 3.336 5.755 -11.933
58 H ILE 10 H ILE 10 5.497 1.611 -7.968
59 HA ILE 10 HA ILE 10 6.566 -0.280 -6.194
60 HB ILE 10 HB ILE 10 7.493 0.295 -9.010
61 HG13 ILE 10 2HG1 ILE 10 5.899 -1.501 -9.648
62 HG21 ILE 10 1HG2 ILE 10 8.118 -1.785 -7.029
63 HG22 ILE 10 2HG2 ILE 10 7.760 -2.372 -8.651
64 HG23 ILE 10 3HG2 ILE 10 9.059 -1.205 -8.403
65 HD11 ILE 10 1HD1 ILE 10 4.603 -2.639 -8.239
66 HD12 ILE 10 2HD1 ILE 10 5.738 -2.113 -6.995
67 HD13 ILE 10 3HD1 ILE 10 4.248 -1.212 -7.266
68 H GLY 11 H GLY 11 8.253 -0.150 -4.876
69 HA2 GLY 11 2HA GLY 11 10.623 0.146 -4.571
70 HA3 GLY 11 3HA GLY 11 10.553 1.500 -5.688
71 H GLU 12 H GLU 12 7.896 1.720 -3.744
72 HA GLU 12 HA GLU 12 9.147 3.818 -2.160
73 HB3 GLU 12 2HB GLU 12 6.773 4.318 -1.489
74 HG3 GLU 12 2HG GLU 12 6.198 5.443 -3.414
75 H HIS 13 H HIS 13 8.136 4.027 0.149
76 HA HIS 13 HA HIS 13 8.603 1.452 1.482
77 HB3 HIS 13 2HB HIS 13 8.627 4.202 2.736
78 HD1 HIS 13 1HD HIS 13 7.769 3.303 4.989
79 HD2 HIS 13 2HD HIS 13 11.136 1.332 3.561
80 HE1 HIS 13 1HE HIS 13 8.613 1.928 6.919
81 H CYS 14 H CYS 14 7.169 0.608 2.949
82 HA CYS 14 HA CYS 14 4.890 2.019 3.909
83 HB3 CYS 14 2HB CYS 14 3.942 1.758 1.757
84 H TYR 15 H TYR 15 3.808 0.897 5.524
85 HA TYR 15 HA TYR 15 5.229 -1.425 6.539
86 HB3 TYR 15 2HB TYR 15 3.892 -1.084 8.575
87 HD1 TYR 15 1HD TYR 15 6.353 -0.706 8.983
88 HD2 TYR 15 2HD TYR 15 3.754 2.396 7.671
89 HE1 TYR 15 1HE TYR 15 7.994 0.972 9.719
90 HE2 TYR 15 2HE TYR 15 5.387 4.083 8.402
91 HH TYR 15 HH TYR 15 7.831 3.500 10.466
92 H VAL 16 H VAL 16 2.101 -0.587 5.207
93 HA VAL 16 HA VAL 16 1.435 -3.448 5.121
94 HB VAL 16 HB VAL 16 -0.985 -2.792 5.470
95 HG11 VAL 16 1HG1 VAL 16 1.000 -2.464 7.714
96 HG12 VAL 16 2HG1 VAL 16 -0.738 -2.652 7.951
97 HG13 VAL 16 3HG1 VAL 16 0.196 -3.947 7.202
98 HG21 VAL 16 1HG2 VAL 16 -1.603 -0.690 5.923
99 HG22 VAL 16 2HG2 VAL 16 -0.251 -0.432 7.026
100 HG23 VAL 16 3HG2 VAL 16 -0.023 -0.229 5.288
101 H ALA 17 H ALA 17 -0.608 -3.712 3.639
102 HA ALA 17 HA ALA 17 0.151 -2.815 1.054
103 HB1 ALA 17 1HB ALA 17 -2.164 -4.378 2.129
104 HB2 ALA 17 2HB ALA 17 -2.143 -3.845 0.447
105 HB3 ALA 17 3HB ALA 17 -0.866 -4.899 1.054
106 H ASP 18 H ASP 18 -2.479 -1.931 3.258
107 HA ASP 18 HA ASP 18 -3.912 -0.232 1.597
108 HB3 ASP 18 2HB ASP 18 -4.589 0.927 3.741
109 H GLU 19 H GLU 19 -0.938 0.329 3.363
110 HA GLU 19 HA GLU 19 -0.844 3.128 3.162
111 HB3 GLU 19 2HB GLU 19 1.801 2.278 3.025
112 HG3 GLU 19 2HG GLU 19 0.873 3.887 4.646
113 H CYS 20 H CYS 20 -0.046 0.593 0.894
114 HA CYS 20 HA CYS 20 1.144 2.476 -0.982
115 HB3 CYS 20 2HB CYS 20 0.773 -0.079 -2.173
116 H CYS 21 H CYS 21 0.069 3.428 -2.582
117 HA CYS 21 HA CYS 21 -2.713 3.276 -2.841
118 HB3 CYS 21 2HB CYS 21 -1.639 4.190 -5.305
119 H SER 22 H SER 22 -0.160 1.463 -4.360
120 HA SER 22 HA SER 22 -1.887 0.337 -6.388
121 HB3 SER 22 2HB SER 22 0.948 -0.370 -5.594
122 HG SER 22 HG SER 22 0.454 -1.007 -8.085
123 H LYS 23 H LYS 23 -1.109 -0.312 -3.146
124 HA LYS 23 HA LYS 23 -1.725 -1.959 -1.704
125 HB3 LYS 23 2HB LYS 23 -3.626 -3.342 -2.242
126 HG3 LYS 23 2HG LYS 23 -4.868 -1.365 -3.759
127 HD3 LYS 23 2HD LYS 23 -4.586 -1.426 -0.758
128 HE3 LYS 23 2HE LYS 23 -7.198 -0.925 -1.940
129 HZ1 LYS 23 1HZ LYS 23 -5.617 0.853 -0.182
130 HZ2 LYS 23 2HZ LYS 23 -6.400 -0.523 0.413
131 HZ3 LYS 23 3HZ LYS 23 -7.299 0.720 -0.300
132 H ARG 24 H ARG 24 0.669 -2.327 -2.949
133 HA ARG 24 HA ARG 24 0.750 -5.250 -3.273
134 HB3 ARG 24 2HB ARG 24 2.919 -4.386 -4.718
135 HG3 ARG 24 2HG ARG 24 1.661 -4.932 -6.738
136 HD3 ARG 24 2HD ARG 24 0.694 -6.862 -4.674
137 HE ARG 24 HE ARG 24 2.198 -7.772 -6.945
138 HH11 ARG 24 1HH1 ARG 24 -0.947 -6.825 -5.791
139 HH12 ARG 24 2HH1 ARG 24 -1.804 -7.727 -6.997
140 HH21 ARG 24 1HH2 ARG 24 1.081 -8.963 -8.536
141 HH22 ARG 24 2HH2 ARG 24 -0.650 -8.944 -8.558
142 H CYS 25 H CYS 25 1.161 -3.636 -0.907
143 HA CYS 25 HA CYS 25 4.032 -3.633 -0.462
144 HB3 CYS 25 2HB CYS 25 1.995 -3.122 1.681
145 H LEU 26 H LEU 26 5.074 -4.855 1.163
146 HA LEU 26 HA LEU 26 3.580 -7.179 2.166
147 HB3 LEU 26 2HB LEU 26 6.387 -7.332 1.090
148 HG LEU 26 HG LEU 26 5.480 -9.161 2.690
149 HD11 LEU 26 1HD1 LEU 26 4.022 -10.752 1.849
150 HD12 LEU 26 2HD1 LEU 26 4.249 -10.227 0.181
151 HD13 LEU 26 3HD1 LEU 26 3.309 -9.236 1.295
152 HD21 LEU 26 1HD2 LEU 26 6.978 -10.613 1.768
153 HD22 LEU 26 2HD2 LEU 26 7.448 -9.139 0.922
154 HD23 LEU 26 3HD2 LEU 26 6.416 -10.325 0.121
155 H PHE 27 H PHE 27 4.373 -8.094 4.104
156 HA PHE 27 HA PHE 27 5.419 -6.214 5.943
157 HB3 PHE 27 2HB PHE 27 5.627 -8.370 7.401
158 HD1 PHE 27 1HD PHE 27 4.285 -7.818 9.165
159 HD2 PHE 27 2HD PHE 27 2.711 -7.536 5.221
160 HE1 PHE 27 1HE PHE 27 2.139 -7.038 10.082
161 HE2 PHE 27 2HE PHE 27 0.563 -6.754 6.131
162 HZ PHE 27 HZ PHE 27 0.274 -6.504 8.564
163 H TYR 28 H TYR 28 6.861 -8.708 3.984
164 HA TYR 28 HA TYR 28 9.396 -8.588 5.386
165 HB3 TYR 28 2HB TYR 28 10.139 -10.193 3.618
166 HD1 TYR 28 1HD TYR 28 10.436 -11.289 5.803
167 HD2 TYR 28 2HD TYR 28 6.650 -11.196 3.864
168 HE1 TYR 28 1HE TYR 28 9.640 -13.083 7.286
169 HE2 TYR 28 2HE TYR 28 5.843 -12.988 5.343
170 HH TYR 28 HH TYR 28 7.197 -13.822 8.132
171 H ALA 29 H ALA 29 8.188 -7.803 2.130
172 HA ALA 29 HA ALA 29 10.609 -6.618 1.246
173 HB1 ALA 29 1HB ALA 29 8.463 -7.479 -0.053
174 HB2 ALA 29 2HB ALA 29 8.030 -5.771 0.046
175 HB3 ALA 29 3HB ALA 29 9.538 -6.254 -0.730
176 H ALA 30 H ALA 30 7.650 -5.315 2.677
177 HA ALA 30 HA ALA 30 7.178 -3.309 3.644
178 HB1 ALA 30 1HB ALA 30 9.807 -2.177 3.865
179 HB2 ALA 30 2HB ALA 30 8.727 -2.755 5.134
180 HB3 ALA 30 3HB ALA 30 9.831 -3.876 4.336
181 H LYS 31 H LYS 31 8.099 -3.646 0.644
182 HA LYS 31 HA LYS 31 7.745 -0.809 0.027
183 HB3 LYS 31 2HB LYS 31 10.050 -2.527 -0.818
184 HG3 LYS 31 2HG LYS 31 10.454 -0.419 -2.391
185 HD3 LYS 31 2HD LYS 31 9.374 -1.840 -4.253
186 HE3 LYS 31 2HE LYS 31 11.373 -3.209 -2.459
187 HZ1 LYS 31 1HZ LYS 31 12.238 -3.689 -4.860
188 HZ2 LYS 31 2HZ LYS 31 10.616 -3.456 -5.281
189 HZ3 LYS 31 3HZ LYS 31 11.037 -4.661 -4.169
190 H CYS 32 H CYS 32 6.548 -0.414 -1.783
191 HA CYS 32 HA CYS 32 4.767 -2.301 -2.722
192 HB3 CYS 32 2HB CYS 32 5.185 -0.444 -4.827
193 H VAL 33 H VAL 33 5.167 -4.130 -3.766
194 HA VAL 33 HA VAL 33 7.277 -4.142 -5.825
195 HB VAL 33 HB VAL 33 7.227 -6.691 -5.401
196 HG11 VAL 33 1HG1 VAL 33 8.483 -5.809 -3.020
197 HG12 VAL 33 2HG1 VAL 33 9.225 -6.195 -4.574
198 HG13 VAL 33 3HG1 VAL 33 8.690 -4.549 -4.236
199 HG21 VAL 33 1HG2 VAL 33 6.555 -6.164 -2.598
200 HG22 VAL 33 2HG2 VAL 33 5.188 -6.051 -3.708
201 HG23 VAL 33 3HG2 VAL 33 6.138 -7.535 -3.627
202 H SER 34 H SER 34 6.742 -4.735 -7.842
203 HA SER 34 HA SER 34 4.118 -4.784 -8.725
204 HB3 SER 34 2HB SER 34 6.478 -6.107 -10.083
205 HG SER 34 HG SER 34 3.997 -5.110 -11.013
Start of MODEL 13
1 H1 SER 1 H SER 1 -14.473 12.081 -5.722
2 HA SER 1 HA SER 1 -14.862 13.927 -7.231
3 HB3 SER 1 2HB SER 1 -15.108 15.840 -6.027
4 HG SER 1 HG SER 1 -14.385 16.026 -4.043
5 H GLN 2 H GLN 2 -13.544 12.389 -8.355
6 HA GLN 2 HA GLN 2 -11.711 11.728 -9.530
7 HB3 GLN 2 2HB GLN 2 -10.007 13.990 -9.361
8 HG3 GLN 2 2HG GLN 2 -11.264 12.482 -11.352
9 HE21 GLN 2 1HE2 GLN 2 -12.676 12.824 -12.930
10 HE22 GLN 2 2HE2 GLN 2 -13.474 14.320 -13.255
11 H GLU 3 H GLU 3 -9.105 11.893 -9.409
12 HA GLU 3 HA GLU 3 -8.035 11.998 -6.757
13 HB3 GLU 3 2HB GLU 3 -9.182 9.856 -6.586
14 HG3 GLU 3 2HG GLU 3 -7.566 8.261 -8.313
15 H GLN 4 H GLN 4 -5.955 12.528 -6.907
16 HA GLN 4 HA GLN 4 -4.409 11.631 -9.231
17 HB3 GLN 4 2HB GLN 4 -3.418 14.151 -8.845
18 HG3 GLN 4 2HG GLN 4 -4.332 12.877 -10.965
19 HE21 GLN 4 1HE2 GLN 4 -5.986 15.946 -10.465
20 HE22 GLN 4 2HE2 GLN 4 -7.546 15.394 -10.962
21 H ARG 5 H ARG 5 -2.020 12.182 -8.913
22 HA ARG 5 HA ARG 5 -0.097 11.908 -7.729
23 HB3 ARG 5 2HB ARG 5 -1.546 12.750 -5.235
24 HG3 ARG 5 2HG ARG 5 1.216 13.314 -6.290
25 HD3 ARG 5 2HD ARG 5 1.386 14.175 -3.820
26 HE ARG 5 HE ARG 5 0.090 16.185 -5.417
27 HH11 ARG 5 1HH1 ARG 5 2.995 14.323 -4.951
28 HH12 ARG 5 2HH1 ARG 5 4.016 15.475 -5.745
29 HH21 ARG 5 1HH2 ARG 5 1.424 17.709 -6.465
30 HH22 ARG 5 2HH2 ARG 5 3.122 17.402 -6.605
31 H GLN 6 H GLN 6 0.350 9.788 -7.662
32 HA GLN 6 HA GLN 6 -1.196 7.828 -6.371
33 HB3 GLN 6 2HB GLN 6 1.145 6.572 -6.516
34 HG3 GLN 6 2HG GLN 6 -1.041 6.710 -8.172
35 HE21 GLN 6 1HE2 GLN 6 -1.346 8.246 -9.680
36 HE22 GLN 6 2HE2 GLN 6 -0.325 8.488 -11.052
37 H CYS 7 H CYS 7 -0.426 6.412 -4.588
38 HA CYS 7 HA CYS 7 0.446 8.073 -2.357
39 HB3 CYS 7 2HB CYS 7 -0.489 6.453 -0.932
40 H LYS 8 H LYS 8 1.258 4.888 -3.737
41 HA LYS 8 HA LYS 8 4.064 5.339 -3.321
42 HB3 LYS 8 2HB LYS 8 4.111 3.053 -1.976
43 HG3 LYS 8 2HG LYS 8 4.489 5.680 -1.251
44 HD3 LYS 8 2HD LYS 8 2.049 4.932 -0.104
45 HE3 LYS 8 2HE LYS 8 3.658 3.635 1.476
46 HZ1 LYS 8 1HZ LYS 8 4.298 5.121 3.371
47 HZ2 LYS 8 2HZ LYS 8 4.053 6.441 2.342
48 HZ3 LYS 8 3HZ LYS 8 5.239 5.292 1.975
49 H LYS 9 H LYS 9 4.607 4.791 -5.349
50 HA LYS 9 HA LYS 9 3.407 2.531 -6.685
51 HB3 LYS 9 2HB LYS 9 4.791 3.165 -8.582
52 HG3 LYS 9 2HG LYS 9 3.094 5.087 -7.241
53 HD3 LYS 9 2HD LYS 9 4.124 6.726 -9.208
54 HE3 LYS 9 2HE LYS 9 5.167 7.116 -6.470
55 HZ1 LYS 9 1HZ LYS 9 4.869 8.777 -8.444
56 HZ2 LYS 9 2HZ LYS 9 4.610 9.280 -6.850
57 HZ3 LYS 9 3HZ LYS 9 3.293 8.903 -7.842
58 H ILE 10 H ILE 10 5.398 1.376 -8.100
59 HA ILE 10 HA ILE 10 6.477 -0.486 -6.288
60 HB ILE 10 HB ILE 10 7.381 0.046 -9.120
61 HG13 ILE 10 2HG1 ILE 10 5.811 -1.789 -9.709
62 HG21 ILE 10 1HG2 ILE 10 8.051 -1.985 -7.102
63 HG22 ILE 10 2HG2 ILE 10 7.691 -2.609 -8.712
64 HG23 ILE 10 3HG2 ILE 10 8.973 -1.417 -8.494
65 HD11 ILE 10 1HD1 ILE 10 5.674 -2.346 -7.045
66 HD12 ILE 10 2HD1 ILE 10 4.169 -1.468 -7.325
67 HD13 ILE 10 3HD1 ILE 10 4.537 -2.911 -8.269
68 H GLY 11 H GLY 11 8.176 -0.322 -4.988
69 HA2 GLY 11 2HA GLY 11 10.541 0.012 -4.699
70 HA3 GLY 11 3HA GLY 11 10.449 1.344 -5.841
71 H GLU 12 H GLU 12 7.801 1.561 -3.880
72 HA GLU 12 HA GLU 12 9.029 3.711 -2.350
73 HB3 GLU 12 2HB GLU 12 6.662 4.197 -1.671
74 HG3 GLU 12 2HG GLU 12 6.034 5.242 -3.625
75 H HIS 13 H HIS 13 7.990 3.942 -0.038
76 HA HIS 13 HA HIS 13 8.528 1.404 1.342
77 HB3 HIS 13 2HB HIS 13 8.531 4.178 2.539
78 HD1 HIS 13 1HD HIS 13 7.695 3.308 4.815
79 HD2 HIS 13 2HD HIS 13 11.086 1.365 3.406
80 HE1 HIS 13 1HE HIS 13 8.573 1.987 6.767
81 H CYS 14 H CYS 14 7.117 0.565 2.831
82 HA CYS 14 HA CYS 14 4.832 1.966 3.793
83 HB3 CYS 14 2HB CYS 14 3.864 1.657 1.656
84 H TYR 15 H TYR 15 3.777 0.858 5.435
85 HA TYR 15 HA TYR 15 5.237 -1.426 6.480
86 HB3 TYR 15 2HB TYR 15 3.802 -1.081 8.496
87 HD1 TYR 15 1HD TYR 15 3.895 2.407 7.787
88 HD2 TYR 15 2HD TYR 15 6.352 -0.908 8.826
89 HE1 TYR 15 1HE TYR 15 5.630 3.953 8.595
90 HE2 TYR 15 2HE TYR 15 8.093 0.629 9.639
91 HH TYR 15 HH TYR 15 7.598 3.752 10.359
92 H VAL 16 H VAL 16 2.092 -0.659 5.151
93 HA VAL 16 HA VAL 16 1.466 -3.529 5.120
94 HB VAL 16 HB VAL 16 -0.962 -2.899 5.471
95 HG11 VAL 16 1HG1 VAL 16 1.158 -2.776 7.566
96 HG12 VAL 16 2HG1 VAL 16 -0.522 -2.480 8.019
97 HG13 VAL 16 3HG1 VAL 16 -0.065 -4.012 7.272
98 HG21 VAL 16 1HG2 VAL 16 -0.297 -0.390 5.098
99 HG22 VAL 16 2HG2 VAL 16 -1.593 -0.817 6.214
100 HG23 VAL 16 3HG2 VAL 16 0.012 -0.432 6.834
101 H ALA 17 H ALA 17 -0.585 -3.847 3.658
102 HA ALA 17 HA ALA 17 0.144 -2.988 1.053
103 HB1 ALA 17 1HB ALA 17 -0.843 -5.085 1.103
104 HB2 ALA 17 2HB ALA 17 -2.147 -4.558 2.168
105 HB3 ALA 17 3HB ALA 17 -2.134 -4.060 0.476
106 H ASP 18 H ASP 18 -2.479 -2.097 3.261
107 HA ASP 18 HA ASP 18 -3.947 -0.447 1.580
108 HB3 ASP 18 2HB ASP 18 -3.536 0.292 4.457
109 H GLU 19 H GLU 19 -0.967 0.185 3.312
110 HA GLU 19 HA GLU 19 -0.911 2.980 3.059
111 HB3 GLU 19 2HB GLU 19 1.744 1.978 2.869
112 HG3 GLU 19 2HG GLU 19 1.013 3.915 4.216
113 H CYS 20 H CYS 20 -0.100 0.414 0.830
114 HA CYS 20 HA CYS 20 1.049 2.280 -1.090
115 HB3 CYS 20 2HB CYS 20 0.707 -0.302 -2.231
116 H CYS 21 H CYS 21 -0.054 3.186 -2.697
117 HA CYS 21 HA CYS 21 -2.835 2.987 -2.930
118 HB3 CYS 21 2HB CYS 21 -1.797 3.870 -5.419
119 H SER 22 H SER 22 -0.266 1.186 -4.439
120 HA SER 22 HA SER 22 -1.992 -0.004 -6.431
121 HB3 SER 22 2HB SER 22 0.860 -0.656 -5.646
122 HG SER 22 HG SER 22 0.682 -1.505 -7.943
123 H LYS 23 H LYS 23 -1.181 -0.580 -3.182
124 HA LYS 23 HA LYS 23 -1.764 -2.209 -1.705
125 HB3 LYS 23 2HB LYS 23 -3.648 -3.630 -2.204
126 HG3 LYS 23 2HG LYS 23 -4.929 -1.700 -3.751
127 HD3 LYS 23 2HD LYS 23 -4.626 -1.699 -0.751
128 HE3 LYS 23 2HE LYS 23 -6.065 -0.034 -2.406
129 HZ1 LYS 23 1HZ LYS 23 -7.568 -1.934 -2.881
130 HZ2 LYS 23 2HZ LYS 23 -8.342 -0.614 -2.161
131 HZ3 LYS 23 3HZ LYS 23 -7.972 -1.983 -1.239
132 H ARG 24 H ARG 24 0.626 -2.565 -2.967
133 HA ARG 24 HA ARG 24 0.748 -5.492 -3.235
134 HB3 ARG 24 2HB ARG 24 2.893 -4.624 -4.712
135 HG3 ARG 24 2HG ARG 24 1.629 -5.226 -6.712
136 HD3 ARG 24 2HD ARG 24 0.644 -7.165 -4.690
137 HE ARG 24 HE ARG 24 2.378 -8.122 -6.720
138 HH11 ARG 24 1HH1 ARG 24 -0.837 -6.895 -6.188
139 HH12 ARG 24 2HH1 ARG 24 -1.521 -7.733 -7.540
140 HH21 ARG 24 1HH2 ARG 24 1.487 -9.231 -8.503
141 HH22 ARG 24 2HH2 ARG 24 -0.199 -9.062 -8.856
142 H CYS 25 H CYS 25 1.153 -3.830 -0.903
143 HA CYS 25 HA CYS 25 4.027 -3.776 -0.479
144 HB3 CYS 25 2HB CYS 25 1.998 -3.254 1.669
145 H LEU 26 H LEU 26 5.097 -4.949 1.164
146 HA LEU 26 HA LEU 26 3.645 -7.275 2.219
147 HB3 LEU 26 2HB LEU 26 6.448 -7.406 1.129
148 HG LEU 26 HG LEU 26 5.582 -9.218 2.769
149 HD11 LEU 26 1HD1 LEU 26 4.141 -10.846 1.971
150 HD12 LEU 26 2HD1 LEU 26 4.346 -10.351 0.291
151 HD13 LEU 26 3HD1 LEU 26 3.400 -9.353 1.395
152 HD21 LEU 26 1HD2 LEU 26 7.097 -10.663 1.866
153 HD22 LEU 26 2HD2 LEU 26 7.534 -9.200 0.981
154 HD23 LEU 26 3HD2 LEU 26 6.514 -10.421 0.218
155 H PHE 27 H PHE 27 4.463 -8.141 4.169
156 HA PHE 27 HA PHE 27 5.491 -6.212 5.967
157 HB3 PHE 27 2HB PHE 27 5.741 -8.337 7.464
158 HD1 PHE 27 1HD PHE 27 4.403 -7.770 9.226
159 HD2 PHE 27 2HD PHE 27 2.798 -7.588 5.288
160 HE1 PHE 27 1HE PHE 27 2.251 -7.005 10.142
161 HE2 PHE 27 2HE PHE 27 0.644 -6.823 6.198
162 HZ PHE 27 HZ PHE 27 0.369 -6.529 8.628
163 H TYR 28 H TYR 28 6.959 -8.724 4.049
164 HA TYR 28 HA TYR 28 9.501 -8.534 5.432
165 HB3 TYR 28 2HB TYR 28 10.258 -10.168 3.698
166 HD1 TYR 28 1HD TYR 28 6.785 -11.216 3.976
167 HD2 TYR 28 2HD TYR 28 10.574 -11.209 5.910
168 HE1 TYR 28 1HE TYR 28 6.006 -12.987 5.494
169 HE2 TYR 28 2HE TYR 28 9.806 -12.981 7.433
170 HH TYR 28 HH TYR 28 7.397 -14.918 6.935
171 H ALA 29 H ALA 29 8.259 -7.838 2.170
172 HA ALA 29 HA ALA 29 10.654 -6.638 1.239
173 HB1 ALA 29 1HB ALA 29 9.601 -6.589 -0.727
174 HB2 ALA 29 2HB ALA 29 8.294 -7.451 0.085
175 HB3 ALA 29 3HB ALA 29 8.231 -5.695 -0.068
176 H ALA 30 H ALA 30 7.690 -5.345 2.669
177 HA ALA 30 HA ALA 30 7.196 -3.326 3.596
178 HB1 ALA 30 1HB ALA 30 8.746 -2.713 5.062
179 HB2 ALA 30 2HB ALA 30 9.854 -3.848 4.291
180 HB3 ALA 30 3HB ALA 30 9.818 -2.162 3.775
181 H LYS 31 H LYS 31 8.103 -3.712 0.597
182 HA LYS 31 HA LYS 31 7.714 -0.892 -0.075
183 HB3 LYS 31 2HB LYS 31 10.032 -2.603 -0.902
184 HG3 LYS 31 2HG LYS 31 10.400 -0.522 -2.520
185 HD3 LYS 31 2HD LYS 31 9.317 -1.995 -4.342
186 HE3 LYS 31 2HE LYS 31 11.138 -3.812 -3.027
187 HZ1 LYS 31 1HZ LYS 31 10.711 -3.142 -5.515
188 HZ2 LYS 31 2HZ LYS 31 12.226 -3.694 -5.002
189 HZ3 LYS 31 3HZ LYS 31 11.953 -2.035 -5.204
190 H CYS 32 H CYS 32 6.494 -0.548 -1.878
191 HA CYS 32 HA CYS 32 4.731 -2.476 -2.767
192 HB3 CYS 32 2HB CYS 32 5.107 -0.651 -4.909
193 H VAL 33 H VAL 33 5.150 -4.319 -3.778
194 HA VAL 33 HA VAL 33 7.242 -4.340 -5.856
195 HB VAL 33 HB VAL 33 7.229 -6.882 -5.387
196 HG11 VAL 33 1HG1 VAL 33 8.490 -5.938 -3.030
197 HG12 VAL 33 2HG1 VAL 33 9.227 -6.346 -4.580
198 HG13 VAL 33 3HG1 VAL 33 8.672 -4.700 -4.271
199 HG21 VAL 33 1HG2 VAL 33 6.165 -7.709 -3.594
200 HG22 VAL 33 2HG2 VAL 33 6.569 -6.318 -2.588
201 HG23 VAL 33 3HG2 VAL 33 5.195 -6.238 -3.690
202 H SER 34 H SER 34 6.698 -4.975 -7.857
203 HA SER 34 HA SER 34 4.069 -5.074 -8.720
204 HB3 SER 34 2HB SER 34 6.456 -6.372 -10.058
205 HG SER 34 HG SER 34 5.103 -5.635 -11.938
Start of MODEL 14
1 H1 SER 1 H SER 1 3.183 11.981 -14.788
2 HA SER 1 HA SER 1 5.253 13.104 -15.191
3 HB3 SER 1 2HB SER 1 4.167 14.977 -17.184
4 HG SER 1 HG SER 1 6.171 14.501 -18.138
5 H GLN 2 H GLN 2 2.348 15.068 -15.861
6 HA GLN 2 HA GLN 2 3.223 17.106 -14.014
7 HB3 GLN 2 2HB GLN 2 0.582 17.659 -14.690
8 HG3 GLN 2 2HG GLN 2 2.614 19.163 -14.789
9 HE21 GLN 2 1HE2 GLN 2 1.866 18.685 -18.152
10 HE22 GLN 2 2HE2 GLN 2 3.485 18.390 -18.678
11 H GLU 3 H GLU 3 0.474 14.851 -14.211
12 HA GLU 3 HA GLU 3 -0.624 15.539 -11.702
13 HB3 GLU 3 2HB GLU 3 -1.982 14.419 -13.349
14 HG3 GLU 3 2HG GLU 3 -1.364 11.757 -13.315
15 H GLN 4 H GLN 4 -0.513 14.501 -9.704
16 HA GLN 4 HA GLN 4 1.404 12.354 -9.323
17 HB3 GLN 4 2HB GLN 4 1.743 14.802 -7.623
18 HG3 GLN 4 2HG GLN 4 3.533 12.510 -8.377
19 HE21 GLN 4 1HE2 GLN 4 3.510 15.135 -5.994
20 HE22 GLN 4 2HE2 GLN 4 5.149 15.615 -6.252
21 H ARG 5 H ARG 5 -1.126 11.870 -9.018
22 HA ARG 5 HA ARG 5 -1.877 12.346 -6.227
23 HB3 ARG 5 2HB ARG 5 -3.643 10.887 -8.141
24 HG3 ARG 5 2HG ARG 5 -4.425 13.133 -6.331
25 HD3 ARG 5 2HD ARG 5 -6.393 11.305 -6.238
26 HE ARG 5 HE ARG 5 -6.596 12.959 -8.577
27 HH11 ARG 5 1HH1 ARG 5 -6.620 12.915 -5.096
28 HH12 ARG 5 2HH1 ARG 5 -7.540 14.375 -4.953
29 HH21 ARG 5 1HH2 ARG 5 -7.809 14.882 -8.403
30 HH22 ARG 5 2HH2 ARG 5 -8.217 15.493 -6.836
31 H GLN 6 H GLN 6 0.274 10.597 -6.669
32 HA GLN 6 HA GLN 6 -0.890 7.943 -6.174
33 HB3 GLN 6 2HB GLN 6 0.751 8.110 -8.020
34 HG3 GLN 6 2HG GLN 6 3.009 8.342 -6.131
35 HE21 GLN 6 1HE2 GLN 6 4.881 8.937 -7.195
36 HE22 GLN 6 2HE2 GLN 6 4.999 8.973 -8.918
37 H CYS 7 H CYS 7 -0.295 6.736 -4.373
38 HA CYS 7 HA CYS 7 0.612 8.332 -2.110
39 HB3 CYS 7 2HB CYS 7 -0.352 6.699 -0.717
40 H LYS 8 H LYS 8 1.360 5.162 -3.556
41 HA LYS 8 HA LYS 8 4.174 5.547 -3.132
42 HB3 LYS 8 2HB LYS 8 4.177 3.233 -1.836
43 HG3 LYS 8 2HG LYS 8 4.607 5.835 -1.056
44 HD3 LYS 8 2HD LYS 8 2.152 5.101 0.080
45 HE3 LYS 8 2HE LYS 8 3.738 3.760 1.640
46 HZ1 LYS 8 1HZ LYS 8 4.720 4.982 3.384
47 HZ2 LYS 8 2HZ LYS 8 4.030 6.438 2.874
48 HZ3 LYS 8 3HZ LYS 8 5.252 5.715 1.956
49 H LYS 9 H LYS 9 4.702 5.034 -5.174
50 HA LYS 9 HA LYS 9 3.461 2.823 -6.554
51 HB3 LYS 9 2HB LYS 9 4.852 3.473 -8.442
52 HG3 LYS 9 2HG LYS 9 4.350 6.204 -7.680
53 HD3 LYS 9 2HD LYS 9 2.456 5.720 -9.433
54 HE3 LYS 9 2HE LYS 9 5.418 5.733 -9.928
55 HZ1 LYS 9 1HZ LYS 9 3.556 6.318 -12.106
56 HZ2 LYS 9 2HZ LYS 9 3.884 4.693 -11.771
57 HZ3 LYS 9 3HZ LYS 9 5.146 5.746 -12.170
58 H ILE 10 H ILE 10 5.376 1.622 -7.985
59 HA ILE 10 HA ILE 10 6.451 -0.276 -6.222
60 HB ILE 10 HB ILE 10 7.355 0.293 -9.047
61 HG13 ILE 10 2HG1 ILE 10 5.742 -1.490 -9.672
62 HG21 ILE 10 1HG2 ILE 10 7.982 -1.792 -7.071
63 HG22 ILE 10 2HG2 ILE 10 7.604 -2.376 -8.691
64 HG23 ILE 10 3HG2 ILE 10 8.913 -1.219 -8.455
65 HD11 ILE 10 1HD1 ILE 10 4.111 -1.191 -7.277
66 HD12 ILE 10 2HD1 ILE 10 4.455 -2.621 -8.251
67 HD13 ILE 10 3HD1 ILE 10 5.600 -2.098 -7.015
68 H GLY 11 H GLY 11 8.150 -0.157 -4.920
69 HA2 GLY 11 2HA GLY 11 10.527 0.124 -4.640
70 HA3 GLY 11 3HA GLY 11 10.453 1.480 -5.756
71 H GLU 12 H GLU 12 7.817 1.717 -3.787
72 HA GLU 12 HA GLU 12 9.094 3.807 -2.215
73 HB3 GLU 12 2HB GLU 12 6.732 4.321 -1.520
74 HG3 GLU 12 2HG GLU 12 6.142 5.448 -3.440
75 H HIS 13 H HIS 13 8.104 4.021 0.105
76 HA HIS 13 HA HIS 13 8.572 1.444 1.432
77 HB3 HIS 13 2HB HIS 13 8.624 4.193 2.685
78 HD1 HIS 13 1HD HIS 13 7.781 3.297 4.948
79 HD2 HIS 13 2HD HIS 13 11.125 1.311 3.488
80 HE1 HIS 13 1HE HIS 13 8.636 1.918 6.868
81 H CYS 14 H CYS 14 7.148 0.607 2.913
82 HA CYS 14 HA CYS 14 4.886 2.029 3.898
83 HB3 CYS 14 2HB CYS 14 3.916 1.777 1.753
84 H TYR 15 H TYR 15 3.814 0.914 5.521
85 HA TYR 15 HA TYR 15 5.231 -1.418 6.521
86 HB3 TYR 15 2HB TYR 15 3.931 -1.068 8.572
87 HD1 TYR 15 1HD TYR 15 3.790 2.405 7.586
88 HD2 TYR 15 2HD TYR 15 6.361 -0.670 9.014
89 HE1 TYR 15 1HE TYR 15 5.423 4.105 8.288
90 HE2 TYR 15 2HE TYR 15 8.000 1.022 9.722
91 HH TYR 15 HH TYR 15 7.338 4.488 9.357
92 H VAL 16 H VAL 16 2.093 -0.560 5.223
93 HA VAL 16 HA VAL 16 1.409 -3.416 5.141
94 HB VAL 16 HB VAL 16 -1.001 -2.749 5.515
95 HG11 VAL 16 1HG1 VAL 16 0.981 -2.390 7.760
96 HG12 VAL 16 2HG1 VAL 16 -0.751 -2.647 7.979
97 HG13 VAL 16 3HG1 VAL 16 0.240 -3.900 7.230
98 HG21 VAL 16 1HG2 VAL 16 -0.282 -0.244 5.171
99 HG22 VAL 16 2HG2 VAL 16 -1.600 -0.664 6.265
100 HG23 VAL 16 3HG2 VAL 16 0.004 -0.315 6.910
101 H ALA 17 H ALA 17 -0.648 -3.667 3.678
102 HA ALA 17 HA ALA 17 0.090 -2.775 1.087
103 HB1 ALA 17 1HB ALA 17 -0.936 -4.850 1.088
104 HB2 ALA 17 2HB ALA 17 -2.217 -4.331 2.185
105 HB3 ALA 17 3HB ALA 17 -2.220 -3.788 0.506
106 H ASP 18 H ASP 18 -2.511 -1.875 3.317
107 HA ASP 18 HA ASP 18 -3.951 -0.168 1.671
108 HB3 ASP 18 2HB ASP 18 -4.726 0.920 3.746
109 H GLU 19 H GLU 19 -0.955 0.376 3.408
110 HA GLU 19 HA GLU 19 -0.847 3.174 3.205
111 HB3 GLU 19 2HB GLU 19 1.791 2.186 3.005
112 HG3 GLU 19 2HG GLU 19 0.742 3.984 4.535
113 H CYS 20 H CYS 20 -0.088 0.635 0.929
114 HA CYS 20 HA CYS 20 1.095 2.511 -0.958
115 HB3 CYS 20 2HB CYS 20 0.697 -0.041 -2.147
116 H CYS 21 H CYS 21 0.009 3.469 -2.548
117 HA CYS 21 HA CYS 21 -2.776 3.334 -2.778
118 HB3 CYS 21 2HB CYS 21 -1.726 4.242 -5.252
119 H SER 22 H SER 22 -0.249 1.506 -4.324
120 HA SER 22 HA SER 22 -2.004 0.391 -6.334
121 HB3 SER 22 2HB SER 22 0.816 -0.413 -5.577
122 HG SER 22 HG SER 22 0.367 -1.945 -6.946
123 H LYS 23 H LYS 23 -1.197 -0.262 -3.099
124 HA LYS 23 HA LYS 23 -1.808 -1.907 -1.651
125 HB3 LYS 23 2HB LYS 23 -3.723 -3.279 -2.171
126 HG3 LYS 23 2HG LYS 23 -4.967 -1.293 -3.676
127 HD3 LYS 23 2HD LYS 23 -4.657 -1.359 -0.678
128 HE3 LYS 23 2HE LYS 23 -7.005 -0.569 -2.396
129 HZ1 LYS 23 1HZ LYS 23 -7.948 -0.985 -0.393
130 HZ2 LYS 23 2HZ LYS 23 -7.419 0.591 -0.080
131 HZ3 LYS 23 3HZ LYS 23 -6.521 -0.729 0.480
132 H ARG 24 H ARG 24 0.571 -2.288 -2.920
133 HA ARG 24 HA ARG 24 0.632 -5.213 -3.246
134 HB3 ARG 24 2HB ARG 24 2.791 -4.361 -4.712
135 HG3 ARG 24 2HG ARG 24 1.510 -4.899 -6.720
136 HD3 ARG 24 2HD ARG 24 0.364 -6.947 -5.017
137 HE ARG 24 HE ARG 24 2.710 -7.566 -6.540
138 HH11 ARG 24 1HH1 ARG 24 -0.701 -6.899 -6.720
139 HH12 ARG 24 2HH1 ARG 24 -0.921 -7.753 -8.212
140 HH21 ARG 24 1HH2 ARG 24 2.434 -8.692 -8.504
141 HH22 ARG 24 2HH2 ARG 24 0.862 -8.773 -9.225
142 H CYS 25 H CYS 25 1.077 -3.602 -0.884
143 HA CYS 25 HA CYS 25 3.951 -3.616 -0.467
144 HB3 CYS 25 2HB CYS 25 1.939 -3.092 1.696
145 H LEU 26 H LEU 26 5.002 -4.842 1.148
146 HA LEU 26 HA LEU 26 3.506 -7.158 2.164
147 HB3 LEU 26 2HB LEU 26 6.302 -7.326 1.062
148 HG LEU 26 HG LEU 26 5.402 -9.151 2.672
149 HD11 LEU 26 1HD1 LEU 26 3.926 -10.734 1.845
150 HD12 LEU 26 2HD1 LEU 26 4.137 -10.208 0.175
151 HD13 LEU 26 3HD1 LEU 26 3.214 -9.215 1.301
152 HD21 LEU 26 1HD2 LEU 26 6.882 -10.610 1.735
153 HD22 LEU 26 2HD2 LEU 26 7.351 -9.139 0.882
154 HD23 LEU 26 3HD2 LEU 26 6.303 -10.321 0.094
155 H PHE 27 H PHE 27 4.311 -8.077 4.095
156 HA PHE 27 HA PHE 27 5.386 -6.204 5.925
157 HB3 PHE 27 2HB PHE 27 5.593 -8.356 7.384
158 HD1 PHE 27 1HD PHE 27 2.665 -7.527 5.218
159 HD2 PHE 27 2HD PHE 27 4.262 -7.792 9.154
160 HE1 PHE 27 1HE PHE 27 0.523 -6.740 6.136
161 HE2 PHE 27 2HE PHE 27 2.122 -7.006 10.079
162 HZ PHE 27 HZ PHE 27 0.249 -6.480 8.570
163 H TYR 28 H TYR 28 6.794 -8.705 3.952
164 HA TYR 28 HA TYR 28 9.344 -8.599 5.330
165 HB3 TYR 28 2HB TYR 28 10.061 -10.210 3.557
166 HD1 TYR 28 1HD TYR 28 10.370 -11.306 5.741
167 HD2 TYR 28 2HD TYR 28 6.570 -11.193 3.833
168 HE1 TYR 28 1HE TYR 28 9.576 -13.093 7.233
169 HE2 TYR 28 2HE TYR 28 5.763 -12.980 5.320
170 HH TYR 28 HH TYR 28 6.357 -13.868 7.620
171 H ALA 29 H ALA 29 8.108 -7.808 2.087
172 HA ALA 29 HA ALA 29 10.525 -6.639 1.176
173 HB1 ALA 29 1HB ALA 29 8.649 -7.526 -0.256
174 HB2 ALA 29 2HB ALA 29 7.775 -6.038 0.115
175 HB3 ALA 29 3HB ALA 29 9.314 -5.967 -0.743
176 H ALA 30 H ALA 30 7.591 -5.316 2.639
177 HA ALA 30 HA ALA 30 7.140 -3.308 3.610
178 HB1 ALA 30 1HB ALA 30 9.778 -2.191 3.804
179 HB2 ALA 30 2HB ALA 30 8.708 -2.765 5.084
180 HB3 ALA 30 3HB ALA 30 9.798 -3.892 4.273
181 H LYS 31 H LYS 31 8.029 -3.651 0.600
182 HA LYS 31 HA LYS 31 7.687 -0.812 -0.014
183 HB3 LYS 31 2HB LYS 31 9.974 -2.544 -0.882
184 HG3 LYS 31 2HG LYS 31 10.374 -0.438 -2.459
185 HD3 LYS 31 2HD LYS 31 9.271 -1.853 -4.310
186 HE3 LYS 31 2HE LYS 31 11.655 -2.166 -2.822
187 HZ1 LYS 31 1HZ LYS 31 10.277 -4.433 -2.460
188 HZ2 LYS 31 2HZ LYS 31 11.965 -4.347 -2.510
189 HZ3 LYS 31 3HZ LYS 31 11.099 -4.792 -3.894
190 H CYS 32 H CYS 32 6.475 -0.410 -1.812
191 HA CYS 32 HA CYS 32 4.673 -2.287 -2.733
192 HB3 CYS 32 2HB CYS 32 5.082 -0.432 -4.842
193 H VAL 33 H VAL 33 5.050 -4.116 -3.783
194 HA VAL 33 HA VAL 33 7.141 -4.141 -5.863
195 HB VAL 33 HB VAL 33 7.077 -6.691 -5.439
196 HG11 VAL 33 1HG1 VAL 33 8.568 -4.559 -4.292
197 HG12 VAL 33 2HG1 VAL 33 8.365 -5.818 -3.071
198 HG13 VAL 33 3HG1 VAL 33 9.086 -6.210 -4.631
199 HG21 VAL 33 1HG2 VAL 33 6.003 -7.527 -3.655
200 HG22 VAL 33 2HG2 VAL 33 6.436 -6.160 -2.628
201 HG23 VAL 33 3HG2 VAL 33 5.061 -6.039 -3.726
202 H SER 34 H SER 34 6.583 -4.729 -7.874
203 HA SER 34 HA SER 34 3.950 -4.761 -8.733
204 HB3 SER 34 2HB SER 34 6.350 -6.032 -10.076
205 HG SER 34 HG SER 34 3.950 -5.062 -11.236
Start of MODEL 15
1 H1 SER 1 H SER 1 -5.183 4.997 -18.557
2 HA SER 1 HA SER 1 -5.089 7.576 -19.550
3 HB3 SER 1 2HB SER 1 -7.591 6.768 -18.161
4 HG SER 1 HG SER 1 -7.460 8.502 -19.695
5 H GLN 2 H GLN 2 -6.296 6.607 -16.335
6 HA GLN 2 HA GLN 2 -5.768 9.351 -15.411
7 HB3 GLN 2 2HB GLN 2 -7.342 7.815 -13.558
8 HG3 GLN 2 2HG GLN 2 -7.484 10.382 -14.944
9 HE21 GLN 2 1HE2 GLN 2 -9.987 8.967 -12.932
10 HE22 GLN 2 2HE2 GLN 2 -11.300 9.299 -14.006
11 H GLU 3 H GLU 3 -3.747 9.345 -14.601
12 HA GLU 3 HA GLU 3 -3.187 7.438 -12.435
13 HB3 GLU 3 2HB GLU 3 -1.942 6.679 -14.375
14 HG3 GLU 3 2HG GLU 3 -0.504 9.315 -14.412
15 H GLN 4 H GLN 4 -4.223 9.967 -12.029
16 HA GLN 4 HA GLN 4 -1.958 11.655 -11.269
17 HB3 GLN 4 2HB GLN 4 -3.990 13.201 -10.606
18 HG3 GLN 4 2HG GLN 4 -4.260 13.844 -13.075
19 HE21 GLN 4 1HE2 GLN 4 -3.423 15.792 -13.082
20 HE22 GLN 4 2HE2 GLN 4 -1.900 16.254 -12.410
21 H ARG 5 H ARG 5 -1.622 12.369 -9.159
22 HA ARG 5 HA ARG 5 -1.546 12.225 -6.891
23 HB3 ARG 5 2HB ARG 5 -4.318 11.067 -6.902
24 HG3 ARG 5 2HG ARG 5 -2.922 13.032 -5.099
25 HD3 ARG 5 2HD ARG 5 -5.326 12.062 -3.984
26 HE ARG 5 HE ARG 5 -4.106 14.502 -4.173
27 HH11 ARG 5 1HH1 ARG 5 -7.357 13.320 -4.566
28 HH12 ARG 5 2HH1 ARG 5 -8.095 14.800 -4.051
29 HH21 ARG 5 1HH2 ARG 5 -5.067 16.456 -3.493
30 HH22 ARG 5 2HH2 ARG 5 -6.793 16.583 -3.441
31 H GLN 6 H GLN 6 -0.097 10.703 -6.363
32 HA GLN 6 HA GLN 6 -1.048 7.922 -6.180
33 HB3 GLN 6 2HB GLN 6 0.602 8.267 -8.017
34 HG3 GLN 6 2HG GLN 6 2.874 8.396 -6.180
35 HE21 GLN 6 1HE2 GLN 6 4.542 8.367 -7.487
36 HE22 GLN 6 2HE2 GLN 6 4.611 9.039 -9.078
37 H CYS 7 H CYS 7 -0.469 6.748 -4.374
38 HA CYS 7 HA CYS 7 0.404 8.345 -2.099
39 HB3 CYS 7 2HB CYS 7 -0.539 6.690 -0.720
40 H LYS 8 H LYS 8 1.206 5.195 -3.561
41 HA LYS 8 HA LYS 8 4.013 5.621 -3.124
42 HB3 LYS 8 2HB LYS 8 4.046 3.300 -1.840
43 HG3 LYS 8 2HG LYS 8 4.434 5.904 -1.045
44 HD3 LYS 8 2HD LYS 8 1.987 5.129 0.078
45 HE3 LYS 8 2HE LYS 8 3.589 3.801 1.635
46 HZ1 LYS 8 1HZ LYS 8 5.076 5.764 1.975
47 HZ2 LYS 8 2HZ LYS 8 4.533 5.031 3.400
48 HZ3 LYS 8 3HZ LYS 8 3.837 6.482 2.877
49 H LYS 9 H LYS 9 4.555 5.127 -5.167
50 HA LYS 9 HA LYS 9 3.352 2.906 -6.563
51 HB3 LYS 9 2HB LYS 9 4.744 3.586 -8.441
52 HG3 LYS 9 2HG LYS 9 4.193 6.304 -7.670
53 HD3 LYS 9 2HD LYS 9 2.289 5.735 -9.425
54 HE3 LYS 9 2HE LYS 9 5.038 6.542 -9.590
55 HZ1 LYS 9 1HZ LYS 9 4.388 5.784 -12.247
56 HZ2 LYS 9 2HZ LYS 9 4.523 4.415 -11.262
57 HZ3 LYS 9 3HZ LYS 9 5.811 5.506 -11.376
58 H ILE 10 H ILE 10 5.298 1.746 -7.996
59 HA ILE 10 HA ILE 10 6.391 -0.147 -6.237
60 HB ILE 10 HB ILE 10 7.297 0.451 -9.055
61 HG13 ILE 10 2HG1 ILE 10 5.715 -1.354 -9.696
62 HG21 ILE 10 1HG2 ILE 10 7.590 -2.214 -8.716
63 HG22 ILE 10 2HG2 ILE 10 8.878 -1.037 -8.466
64 HG23 ILE 10 3HG2 ILE 10 7.952 -1.634 -7.091
65 HD11 ILE 10 1HD1 ILE 10 4.436 -2.510 -8.287
66 HD12 ILE 10 2HD1 ILE 10 5.574 -1.982 -7.046
67 HD13 ILE 10 3HD1 ILE 10 4.074 -1.092 -7.303
68 H GLY 11 H GLY 11 8.085 -0.013 -4.930
69 HA2 GLY 11 2HA GLY 11 10.454 0.304 -4.637
70 HA3 GLY 11 3HA GLY 11 10.366 1.665 -5.746
71 H GLU 12 H GLU 12 7.719 1.848 -3.784
72 HA GLU 12 HA GLU 12 8.958 3.950 -2.197
73 HB3 GLU 12 2HB GLU 12 6.586 4.423 -1.508
74 HG3 GLU 12 2HG GLU 12 5.983 5.549 -3.425
75 H HIS 13 H HIS 13 7.952 4.134 0.120
76 HA HIS 13 HA HIS 13 8.456 1.557 1.436
77 HB3 HIS 13 2HB HIS 13 8.464 4.300 2.704
78 HD1 HIS 13 1HD HIS 13 7.626 3.379 4.957
79 HD2 HIS 13 2HD HIS 13 11.004 1.451 3.498
80 HE1 HIS 13 1HE HIS 13 8.495 2.002 6.874
81 H CYS 14 H CYS 14 7.039 0.691 2.905
82 HA CYS 14 HA CYS 14 4.754 2.074 3.890
83 HB3 CYS 14 2HB CYS 14 3.793 1.819 1.742
84 H TYR 15 H TYR 15 3.693 0.933 5.504
85 HA TYR 15 HA TYR 15 5.141 -1.382 6.496
86 HB3 TYR 15 2HB TYR 15 3.587 -1.074 8.489
87 HD1 TYR 15 1HD TYR 15 6.149 -1.203 8.891
88 HD2 TYR 15 2HD TYR 15 4.071 2.408 8.030
89 HE1 TYR 15 1HE TYR 15 8.003 0.088 9.863
90 HE2 TYR 15 2HE TYR 15 5.919 3.710 8.999
91 HH TYR 15 HH TYR 15 7.869 2.986 10.918
92 H VAL 16 H VAL 16 1.998 -0.565 5.187
93 HA VAL 16 HA VAL 16 1.357 -3.432 5.088
94 HB VAL 16 HB VAL 16 -1.068 -2.794 5.452
95 HG11 VAL 16 1HG1 VAL 16 1.035 -2.688 7.576
96 HG12 VAL 16 2HG1 VAL 16 -0.666 -2.483 7.997
97 HG13 VAL 16 3HG1 VAL 16 -0.123 -3.966 7.210
98 HG21 VAL 16 1HG2 VAL 16 -1.679 -0.731 6.282
99 HG22 VAL 16 2HG2 VAL 16 -0.052 -0.359 6.854
100 HG23 VAL 16 3HG2 VAL 16 -0.418 -0.287 5.130
101 H ALA 17 H ALA 17 -0.692 -3.705 3.616
102 HA ALA 17 HA ALA 17 0.043 -2.787 1.033
103 HB1 ALA 17 1HB ALA 17 -0.953 -4.876 1.017
104 HB2 ALA 17 2HB ALA 17 -2.244 -4.383 2.113
105 HB3 ALA 17 3HB ALA 17 -2.250 -3.831 0.439
106 H ASP 18 H ASP 18 -2.580 -1.939 3.258
107 HA ASP 18 HA ASP 18 -4.040 -0.245 1.617
108 HB3 ASP 18 2HB ASP 18 -4.068 0.911 4.192
109 H GLU 19 H GLU 19 -1.060 0.334 3.368
110 HA GLU 19 HA GLU 19 -0.994 3.135 3.182
111 HB3 GLU 19 2HB GLU 19 1.659 2.142 2.976
112 HG3 GLU 19 2HG GLU 19 -0.029 3.273 5.149
113 H CYS 20 H CYS 20 -0.186 0.620 0.894
114 HA CYS 20 HA CYS 20 0.974 2.526 -0.978
115 HB3 CYS 20 2HB CYS 20 0.620 -0.025 -2.182
116 H CYS 21 H CYS 21 -0.121 3.477 -2.565
117 HA CYS 21 HA CYS 21 -2.902 3.300 -2.807
118 HB3 CYS 21 2HB CYS 21 -1.854 4.239 -5.271
119 H SER 22 H SER 22 -0.341 1.522 -4.354
120 HA SER 22 HA SER 22 -2.071 0.392 -6.379
121 HB3 SER 22 2HB SER 22 0.586 -0.817 -5.792
122 HG SER 22 HG SER 22 0.636 -0.478 -8.160
123 H LYS 23 H LYS 23 -1.266 -0.269 -3.144
124 HA LYS 23 HA LYS 23 -1.859 -1.931 -1.709
125 HB3 LYS 23 2HB LYS 23 -3.751 -3.329 -2.245
126 HG3 LYS 23 2HG LYS 23 -5.019 -1.353 -3.743
127 HD3 LYS 23 2HD LYS 23 -4.720 -1.428 -0.744
128 HE3 LYS 23 2HE LYS 23 -6.141 0.292 -2.347
129 HZ1 LYS 23 1HZ LYS 23 -7.735 -2.077 -1.861
130 HZ2 LYS 23 2HZ LYS 23 -7.922 -0.868 -3.027
131 HZ3 LYS 23 3HZ LYS 23 -8.483 -0.615 -1.452
132 H ARG 24 H ARG 24 0.530 -2.269 -2.969
133 HA ARG 24 HA ARG 24 0.638 -5.190 -3.312
134 HB3 ARG 24 2HB ARG 24 2.789 -4.297 -4.766
135 HG3 ARG 24 2HG ARG 24 1.524 -4.844 -6.780
136 HD3 ARG 24 2HD ARG 24 0.589 -6.793 -4.718
137 HE ARG 24 HE ARG 24 1.315 -6.961 -7.492
138 HH11 ARG 24 1HH1 ARG 24 1.006 -8.720 -4.505
139 HH12 ARG 24 2HH1 ARG 24 0.815 -10.258 -5.279
140 HH21 ARG 24 1HH2 ARG 24 1.066 -8.980 -8.523
141 HH22 ARG 24 2HH2 ARG 24 0.850 -10.405 -7.564
142 H CYS 25 H CYS 25 1.048 -3.587 -0.939
143 HA CYS 25 HA CYS 25 3.922 -3.559 -0.512
144 HB3 CYS 25 2HB CYS 25 1.894 -3.079 1.647
145 H LEU 26 H LEU 26 4.985 -4.778 1.100
146 HA LEU 26 HA LEU 26 3.520 -7.123 2.097
147 HB3 LEU 26 2HB LEU 26 6.322 -7.242 1.005
148 HG LEU 26 HG LEU 26 5.445 -9.089 2.601
149 HD11 LEU 26 1HD1 LEU 26 3.997 -10.691 1.759
150 HD12 LEU 26 2HD1 LEU 26 4.206 -10.152 0.093
151 HD13 LEU 26 3HD1 LEU 26 3.264 -9.180 1.222
152 HD21 LEU 26 1HD2 LEU 26 7.400 -9.037 0.819
153 HD22 LEU 26 2HD2 LEU 26 6.375 -10.229 0.019
154 HD23 LEU 26 3HD2 LEU 26 6.951 -10.521 1.661
155 H PHE 27 H PHE 27 4.332 -8.041 4.026
156 HA PHE 27 HA PHE 27 5.370 -6.162 5.871
157 HB3 PHE 27 2HB PHE 27 5.605 -8.318 7.320
158 HD1 PHE 27 1HD PHE 27 4.248 -7.813 9.086
159 HD2 PHE 27 2HD PHE 27 2.682 -7.499 5.140
160 HE1 PHE 27 1HE PHE 27 2.090 -7.067 10.005
161 HE2 PHE 27 2HE PHE 27 0.523 -6.753 6.053
162 HZ PHE 27 HZ PHE 27 0.225 -6.535 8.488
163 H TYR 28 H TYR 28 6.825 -8.632 3.890
164 HA TYR 28 HA TYR 28 9.367 -8.493 5.279
165 HB3 TYR 28 2HB TYR 28 10.116 -10.083 3.500
166 HD1 TYR 28 1HD TYR 28 10.433 -11.188 5.679
167 HD2 TYR 28 2HD TYR 28 6.637 -11.120 3.756
168 HE1 TYR 28 1HE TYR 28 9.659 -12.995 7.156
169 HE2 TYR 28 2HE TYR 28 5.853 -12.928 5.229
170 HH TYR 28 HH TYR 28 7.692 -13.997 7.967
171 H ALA 29 H ALA 29 8.132 -7.703 2.035
172 HA ALA 29 HA ALA 29 10.535 -6.493 1.139
173 HB1 ALA 29 1HB ALA 29 9.487 -6.390 -0.827
174 HB2 ALA 29 2HB ALA 29 8.171 -7.262 -0.039
175 HB3 ALA 29 3HB ALA 29 8.122 -5.503 -0.149
176 H ALA 30 H ALA 30 7.575 -5.224 2.598
177 HA ALA 30 HA ALA 30 7.090 -3.227 3.579
178 HB1 ALA 30 1HB ALA 30 9.712 -2.073 3.789
179 HB2 ALA 30 2HB ALA 30 8.644 -2.667 5.061
180 HB3 ALA 30 3HB ALA 30 9.752 -3.775 4.251
181 H LYS 31 H LYS 31 7.995 -3.539 0.571
182 HA LYS 31 HA LYS 31 7.614 -0.703 -0.029
183 HB3 LYS 31 2HB LYS 31 9.928 -2.396 -0.898
184 HG3 LYS 31 2HG LYS 31 10.305 -0.275 -2.462
185 HD3 LYS 31 2HD LYS 31 9.226 -1.695 -4.324
186 HE3 LYS 31 2HE LYS 31 11.654 -1.787 -3.172
187 HZ1 LYS 31 1HZ LYS 31 10.302 -4.242 -2.419
188 HZ2 LYS 31 2HZ LYS 31 11.641 -3.483 -1.717
189 HZ3 LYS 31 3HZ LYS 31 11.837 -4.437 -3.101
190 H CYS 32 H CYS 32 6.402 -0.309 -1.829
191 HA CYS 32 HA CYS 32 4.632 -2.207 -2.767
192 HB3 CYS 32 2HB CYS 32 5.020 -0.334 -4.864
193 H VAL 33 H VAL 33 5.042 -4.025 -3.825
194 HA VAL 33 HA VAL 33 7.140 -4.006 -5.898
195 HB VAL 33 HB VAL 33 7.113 -6.558 -5.489
196 HG11 VAL 33 1HG1 VAL 33 8.567 -4.412 -4.325
197 HG12 VAL 33 2HG1 VAL 33 8.378 -5.678 -3.111
198 HG13 VAL 33 3HG1 VAL 33 9.112 -6.052 -4.671
199 HG21 VAL 33 1HG2 VAL 33 6.454 -6.053 -2.679
200 HG22 VAL 33 2HG2 VAL 33 5.081 -5.947 -3.780
201 HG23 VAL 33 3HG2 VAL 33 6.045 -7.422 -3.714
202 H SER 34 H SER 34 6.597 -4.590 -7.915
203 HA SER 34 HA SER 34 3.968 -4.658 -8.783
204 HB3 SER 34 2HB SER 34 6.401 -5.869 -10.120
205 HG SER 34 HG SER 34 5.183 -5.626 -12.013
Start of MODEL 16
1 H1 SER 1 H SER 1 -2.925 19.092 -17.021
2 HA SER 1 HA SER 1 -4.137 20.698 -15.641
3 HB3 SER 1 2HB SER 1 -6.529 19.751 -17.239
4 HG SER 1 HG SER 1 -7.477 20.528 -15.521
5 H GLN 2 H GLN 2 -5.505 17.598 -16.714
6 HA GLN 2 HA GLN 2 -6.329 16.888 -14.049
7 HB3 GLN 2 2HB GLN 2 -6.836 14.661 -15.145
8 HG3 GLN 2 2HG GLN 2 -8.080 16.831 -16.772
9 HE21 GLN 2 1HE2 GLN 2 -9.032 14.436 -14.337
10 HE22 GLN 2 2HE2 GLN 2 -10.141 13.588 -15.355
11 H GLU 3 H GLU 3 -4.707 16.567 -12.636
12 HA GLU 3 HA GLU 3 -2.824 14.410 -13.231
13 HB3 GLU 3 2HB GLU 3 -1.559 16.396 -13.755
14 HG3 GLU 3 2HG GLU 3 -2.264 17.382 -11.000
15 H GLN 4 H GLN 4 -2.397 13.108 -11.524
16 HA GLN 4 HA GLN 4 -3.191 13.989 -8.846
17 HB3 GLN 4 2HB GLN 4 -4.207 11.673 -8.513
18 HG3 GLN 4 2HG GLN 4 -5.377 13.971 -9.816
19 HE21 GLN 4 1HE2 GLN 4 -6.192 13.858 -11.798
20 HE22 GLN 4 2HE2 GLN 4 -7.261 12.630 -12.373
21 H ARG 5 H ARG 5 -1.770 13.435 -7.315
22 HA ARG 5 HA ARG 5 0.541 11.856 -8.088
23 HB3 ARG 5 2HB ARG 5 0.187 12.990 -5.346
24 HG3 ARG 5 2HG ARG 5 2.371 12.042 -6.923
25 HD3 ARG 5 2HD ARG 5 3.914 13.956 -6.250
26 HE ARG 5 HE ARG 5 2.549 13.633 -8.620
27 HH11 ARG 5 1HH1 ARG 5 3.918 16.284 -6.827
28 HH12 ARG 5 2HH1 ARG 5 4.266 17.230 -8.238
29 HH21 ARG 5 1HH2 ARG 5 3.000 14.868 -10.484
30 HH22 ARG 5 2HH2 ARG 5 3.742 16.424 -10.316
31 H GLN 6 H GLN 6 0.799 9.777 -7.620
32 HA GLN 6 HA GLN 6 -1.185 8.281 -6.271
33 HB3 GLN 6 2HB GLN 6 0.974 6.611 -6.309
34 HG3 GLN 6 2HG GLN 6 -1.041 5.984 -7.389
35 HE21 GLN 6 1HE2 GLN 6 -2.771 7.217 -7.773
36 HE22 GLN 6 2HE2 GLN 6 -2.948 8.284 -9.119
37 H CYS 7 H CYS 7 -0.379 6.618 -4.521
38 HA CYS 7 HA CYS 7 0.527 8.240 -2.277
39 HB3 CYS 7 2HB CYS 7 -0.433 6.623 -0.866
40 H LYS 8 H LYS 8 1.280 5.057 -3.691
41 HA LYS 8 HA LYS 8 4.094 5.452 -3.276
42 HB3 LYS 8 2HB LYS 8 4.103 3.152 -1.953
43 HG3 LYS 8 2HG LYS 8 4.531 5.765 -1.205
44 HD3 LYS 8 2HD LYS 8 2.081 5.047 -0.057
45 HE3 LYS 8 2HE LYS 8 3.673 3.709 1.506
46 HZ1 LYS 8 1HZ LYS 8 5.067 4.838 2.788
47 HZ2 LYS 8 2HZ LYS 8 3.886 5.969 3.222
48 HZ3 LYS 8 3HZ LYS 8 4.793 6.194 1.812
49 H LYS 9 H LYS 9 4.624 4.913 -5.310
50 HA LYS 9 HA LYS 9 3.381 2.690 -6.666
51 HB3 LYS 9 2HB LYS 9 4.769 3.317 -8.560
52 HG3 LYS 9 2HG LYS 9 3.108 5.252 -7.197
53 HD3 LYS 9 2HD LYS 9 4.178 6.903 -9.134
54 HE3 LYS 9 2HE LYS 9 5.221 7.255 -6.396
55 HZ1 LYS 9 1HZ LYS 9 4.095 9.409 -6.689
56 HZ2 LYS 9 2HZ LYS 9 3.553 8.909 -8.212
57 HZ3 LYS 9 3HZ LYS 9 5.209 9.087 -7.921
58 H ILE 10 H ILE 10 5.349 1.516 -8.097
59 HA ILE 10 HA ILE 10 6.398 -0.385 -6.307
60 HB ILE 10 HB ILE 10 7.306 0.160 -9.135
61 HG13 ILE 10 2HG1 ILE 10 5.703 -1.641 -9.741
62 HG21 ILE 10 1HG2 ILE 10 8.874 -1.334 -8.524
63 HG22 ILE 10 2HG2 ILE 10 7.941 -1.903 -7.141
64 HG23 ILE 10 3HG2 ILE 10 7.573 -2.502 -8.758
65 HD11 ILE 10 1HD1 ILE 10 4.411 -2.754 -8.308
66 HD12 ILE 10 2HD1 ILE 10 5.560 -2.219 -7.081
67 HD13 ILE 10 3HD1 ILE 10 4.071 -1.313 -7.350
68 H GLY 11 H GLY 11 8.103 -0.268 -5.011
69 HA2 GLY 11 2HA GLY 11 10.474 0.022 -4.721
70 HA3 GLY 11 3HA GLY 11 10.404 1.368 -5.850
71 H GLU 12 H GLU 12 7.763 1.613 -3.883
72 HA GLU 12 HA GLU 12 9.031 3.725 -2.334
73 HB3 GLU 12 2HB GLU 12 6.675 4.244 -1.645
74 HG3 GLU 12 2HG GLU 12 6.061 5.322 -3.585
75 H HIS 13 H HIS 13 8.006 3.951 -0.016
76 HA HIS 13 HA HIS 13 8.500 1.389 1.336
77 HB3 HIS 13 2HB HIS 13 8.558 4.152 2.560
78 HD1 HIS 13 1HD HIS 13 7.711 3.274 4.830
79 HD2 HIS 13 2HD HIS 13 11.063 1.284 3.393
80 HE1 HIS 13 1HE HIS 13 8.569 1.918 6.766
81 H CYS 14 H CYS 14 7.075 0.560 2.816
82 HA CYS 14 HA CYS 14 4.820 1.995 3.800
83 HB3 CYS 14 2HB CYS 14 3.840 1.725 1.663
84 H TYR 15 H TYR 15 3.747 0.890 5.434
85 HA TYR 15 HA TYR 15 5.170 -1.428 6.454
86 HB3 TYR 15 2HB TYR 15 3.705 -1.077 8.466
87 HD1 TYR 15 1HD TYR 15 6.247 -1.039 8.852
88 HD2 TYR 15 2HD TYR 15 3.989 2.412 7.808
89 HE1 TYR 15 1HE TYR 15 8.050 0.395 9.716
90 HE2 TYR 15 2HE TYR 15 5.786 3.856 8.667
91 HH TYR 15 HH TYR 15 7.880 3.199 10.656
92 H VAL 16 H VAL 16 2.031 -0.593 5.143
93 HA VAL 16 HA VAL 16 1.358 -3.453 5.083
94 HB VAL 16 HB VAL 16 -1.011 -2.908 5.531
95 HG11 VAL 16 1HG1 VAL 16 0.425 -1.806 7.881
96 HG12 VAL 16 2HG1 VAL 16 -0.774 -3.098 7.788
97 HG13 VAL 16 3HG1 VAL 16 0.897 -3.407 7.312
98 HG21 VAL 16 1HG2 VAL 16 0.119 -0.153 5.825
99 HG22 VAL 16 2HG2 VAL 16 -1.323 -0.683 4.958
100 HG23 VAL 16 3HG2 VAL 16 -1.326 -0.624 6.720
101 H ALA 17 H ALA 17 -0.702 -3.719 3.623
102 HA ALA 17 HA ALA 17 0.037 -2.848 1.025
103 HB1 ALA 17 1HB ALA 17 -2.277 -4.390 2.132
104 HB2 ALA 17 2HB ALA 17 -2.265 -3.872 0.445
105 HB3 ALA 17 3HB ALA 17 -0.989 -4.927 1.053
106 H ASP 18 H ASP 18 -2.564 -1.931 3.247
107 HA ASP 18 HA ASP 18 -4.007 -0.240 1.586
108 HB3 ASP 18 2HB ASP 18 -4.770 0.873 3.658
109 H GLU 19 H GLU 19 -1.012 0.321 3.317
110 HA GLU 19 HA GLU 19 -0.906 3.118 3.092
111 HB3 GLU 19 2HB GLU 19 1.704 2.491 3.047
112 HG3 GLU 19 2HG GLU 19 1.685 2.291 5.480
113 H CYS 20 H CYS 20 -0.146 0.561 0.836
114 HA CYS 20 HA CYS 20 1.030 2.425 -1.068
115 HB3 CYS 20 2HB CYS 20 0.640 -0.139 -2.235
116 H CYS 21 H CYS 21 -0.060 3.367 -2.665
117 HA CYS 21 HA CYS 21 -2.844 3.220 -2.892
118 HB3 CYS 21 2HB CYS 21 -1.797 4.109 -5.375
119 H SER 22 H SER 22 -0.312 1.391 -4.428
120 HA SER 22 HA SER 22 -2.065 0.251 -6.426
121 HB3 SER 22 2HB SER 22 0.710 -0.693 -5.694
122 HG SER 22 HG SER 22 0.532 -0.976 -8.139
123 H LYS 23 H LYS 23 -1.256 -0.372 -3.186
124 HA LYS 23 HA LYS 23 -1.863 -2.006 -1.724
125 HB3 LYS 23 2HB LYS 23 -3.774 -3.387 -2.231
126 HG3 LYS 23 2HG LYS 23 -5.023 -1.419 -3.756
127 HD3 LYS 23 2HD LYS 23 -4.716 -1.454 -0.757
128 HE3 LYS 23 2HE LYS 23 -6.164 0.216 -2.442
129 HZ1 LYS 23 1HZ LYS 23 -8.426 -0.695 -1.226
130 HZ2 LYS 23 2HZ LYS 23 -7.713 -2.108 -1.823
131 HZ3 LYS 23 3HZ LYS 23 -8.063 -0.829 -2.873
132 H ARG 24 H ARG 24 0.517 -2.391 -2.990
133 HA ARG 24 HA ARG 24 0.586 -5.318 -3.291
134 HB3 ARG 24 2HB ARG 24 2.744 -4.474 -4.764
135 HG3 ARG 24 2HG ARG 24 1.465 -5.031 -6.767
136 HD3 ARG 24 2HD ARG 24 0.412 -6.994 -4.821
137 HE ARG 24 HE ARG 24 1.527 -7.088 -7.446
138 HH11 ARG 24 1HH1 ARG 24 1.064 -8.925 -4.524
139 HH12 ARG 24 2HH1 ARG 24 1.129 -10.460 -5.324
140 HH21 ARG 24 1HH2 ARG 24 1.613 -9.104 -8.510
141 HH22 ARG 24 2HH2 ARG 24 1.442 -10.561 -7.592
142 H CYS 25 H CYS 25 1.026 -3.686 -0.942
143 HA CYS 25 HA CYS 25 3.900 -3.689 -0.524
144 HB3 CYS 25 2HB CYS 25 1.887 -3.152 1.634
145 H LEU 26 H LEU 26 4.952 -4.897 1.104
146 HA LEU 26 HA LEU 26 3.462 -7.208 2.139
147 HB3 LEU 26 2HB LEU 26 6.259 -7.378 1.041
148 HG LEU 26 HG LEU 26 5.364 -9.191 2.665
149 HD11 LEU 26 1HD1 LEU 26 3.178 -9.274 1.295
150 HD12 LEU 26 2HD1 LEU 26 3.892 -10.785 1.854
151 HD13 LEU 26 3HD1 LEU 26 4.104 -10.277 0.179
152 HD21 LEU 26 1HD2 LEU 26 7.311 -9.189 0.873
153 HD22 LEU 26 2HD2 LEU 26 6.269 -10.384 0.099
154 HD23 LEU 26 3HD2 LEU 26 6.851 -10.653 1.744
155 H PHE 27 H PHE 27 4.268 -8.110 4.078
156 HA PHE 27 HA PHE 27 5.334 -6.217 5.893
157 HB3 PHE 27 2HB PHE 27 5.546 -8.355 7.372
158 HD1 PHE 27 1HD PHE 27 4.209 -7.792 9.134
159 HD2 PHE 27 2HD PHE 27 2.622 -7.544 5.193
160 HE1 PHE 27 1HE PHE 27 2.065 -7.005 10.051
161 HE2 PHE 27 2HE PHE 27 0.476 -6.757 6.103
162 HZ PHE 27 HZ PHE 27 0.196 -6.485 8.534
163 H TYR 28 H TYR 28 6.753 -8.735 3.946
164 HA TYR 28 HA TYR 28 9.301 -8.605 5.325
165 HB3 TYR 28 2HB TYR 28 10.025 -10.234 3.573
166 HD1 TYR 28 1HD TYR 28 10.328 -11.305 5.771
167 HD2 TYR 28 2HD TYR 28 6.533 -11.222 3.849
168 HE1 TYR 28 1HE TYR 28 9.533 -13.078 7.279
169 HE2 TYR 28 2HE TYR 28 5.727 -12.995 5.351
170 HH TYR 28 HH TYR 28 7.413 -14.989 6.912
171 H ALA 29 H ALA 29 8.064 -7.853 2.073
172 HA ALA 29 HA ALA 29 10.479 -6.688 1.149
173 HB1 ALA 29 1HB ALA 29 9.350 -6.216 -0.808
174 HB2 ALA 29 2HB ALA 29 8.427 -7.581 -0.177
175 HB3 ALA 29 3HB ALA 29 7.817 -5.938 0.018
176 H ALA 30 H ALA 30 7.542 -5.356 2.598
177 HA ALA 30 HA ALA 30 7.085 -3.337 3.546
178 HB1 ALA 30 1HB ALA 30 8.649 -2.771 5.016
179 HB2 ALA 30 2HB ALA 30 9.737 -3.914 4.228
180 HB3 ALA 30 3HB ALA 30 9.727 -2.222 3.733
181 H LYS 31 H LYS 31 7.979 -3.710 0.542
182 HA LYS 31 HA LYS 31 7.639 -0.877 -0.101
183 HB3 LYS 31 2HB LYS 31 9.923 -2.621 -0.951
184 HG3 LYS 31 2HG LYS 31 10.326 -0.530 -2.549
185 HD3 LYS 31 2HD LYS 31 9.213 -1.964 -4.383
186 HE3 LYS 31 2HE LYS 31 11.016 -3.803 -3.039
187 HZ1 LYS 31 1HZ LYS 31 11.637 -2.089 -5.362
188 HZ2 LYS 31 2HZ LYS 31 10.588 -3.406 -5.512
189 HZ3 LYS 31 3HZ LYS 31 12.188 -3.652 -5.021
190 H CYS 32 H CYS 32 6.422 -0.493 -1.898
191 HA CYS 32 HA CYS 32 4.622 -2.379 -2.802
192 HB3 CYS 32 2HB CYS 32 5.028 -0.540 -4.926
193 H VAL 33 H VAL 33 5.006 -4.219 -3.832
194 HA VAL 33 HA VAL 33 7.094 -4.258 -5.915
195 HB VAL 33 HB VAL 33 7.033 -6.803 -5.471
196 HG11 VAL 33 1HG1 VAL 33 8.318 -5.908 -3.109
197 HG12 VAL 33 2HG1 VAL 33 9.043 -6.314 -4.667
198 HG13 VAL 33 3HG1 VAL 33 8.521 -4.661 -4.339
199 HG21 VAL 33 1HG2 VAL 33 5.961 -7.628 -3.679
200 HG22 VAL 33 2HG2 VAL 33 6.391 -6.251 -2.664
201 HG23 VAL 33 3HG2 VAL 33 5.016 -6.141 -3.763
202 H SER 34 H SER 34 6.534 -4.862 -7.921
203 HA SER 34 HA SER 34 3.902 -4.903 -8.779
204 HB3 SER 34 2HB SER 34 6.510 -5.685 -9.974
205 HG SER 34 HG SER 34 5.544 -7.247 -11.030
Start of MODEL 17
1 H1 SER 1 H SER 1 -10.317 17.125 -9.147
2 HA SER 1 HA SER 1 -9.102 17.740 -11.623
3 HB3 SER 1 2HB SER 1 -7.297 16.210 -10.042
4 HG SER 1 HG SER 1 -6.295 17.935 -10.684
5 H GLN 2 H GLN 2 -8.360 16.483 -13.255
6 HA GLN 2 HA GLN 2 -9.529 14.030 -13.802
7 HB3 GLN 2 2HB GLN 2 -7.185 13.957 -15.255
8 HG3 GLN 2 2HG GLN 2 -9.681 14.018 -15.975
9 HE21 GLN 2 1HE2 GLN 2 -11.389 15.272 -16.022
10 HE22 GLN 2 2HE2 GLN 2 -11.398 16.987 -16.232
11 H GLU 3 H GLU 3 -6.023 14.385 -13.290
12 HA GLU 3 HA GLU 3 -5.998 11.692 -12.130
13 HB3 GLU 3 2HB GLU 3 -4.507 12.267 -14.085
14 HG3 GLU 3 2HG GLU 3 -3.763 14.446 -12.506
15 H GLN 4 H GLN 4 -4.418 11.324 -10.339
16 HA GLN 4 HA GLN 4 -4.057 13.653 -8.602
17 HB3 GLN 4 2HB GLN 4 -5.003 12.553 -6.689
18 HG3 GLN 4 2HG GLN 4 -7.087 11.796 -8.649
19 HE21 GLN 4 1HE2 GLN 4 -8.398 11.046 -7.089
20 HE22 GLN 4 2HE2 GLN 4 -8.968 11.980 -5.752
21 H ARG 5 H ARG 5 -2.336 13.510 -7.167
22 HA ARG 5 HA ARG 5 -0.122 12.020 -7.967
23 HB3 ARG 5 2HB ARG 5 -0.656 13.244 -5.256
24 HG3 ARG 5 2HG ARG 5 1.845 12.243 -6.548
25 HD3 ARG 5 2HD ARG 5 1.633 14.808 -5.484
26 HE ARG 5 HE ARG 5 2.329 13.002 -3.354
27 HH11 ARG 5 1HH1 ARG 5 2.759 16.196 -4.670
28 HH12 ARG 5 2HH1 ARG 5 3.188 16.907 -3.149
29 HH21 ARG 5 1HH2 ARG 5 2.892 13.925 -1.347
30 HH22 ARG 5 2HH2 ARG 5 3.264 15.613 -1.260
31 H GLN 6 H GLN 6 0.511 9.992 -7.620
32 HA GLN 6 HA GLN 6 -1.143 8.112 -6.332
33 HB3 GLN 6 2HB GLN 6 1.322 6.891 -6.455
34 HG3 GLN 6 2HG GLN 6 -0.960 6.328 -7.566
35 HE21 GLN 6 1HE2 GLN 6 -2.205 6.491 -9.333
36 HE22 GLN 6 2HE2 GLN 6 -1.848 7.486 -10.700
37 H CYS 7 H CYS 7 -0.378 6.632 -4.570
38 HA CYS 7 HA CYS 7 0.527 8.257 -2.326
39 HB3 CYS 7 2HB CYS 7 -0.430 6.639 -0.913
40 H LYS 8 H LYS 8 1.283 5.073 -3.738
41 HA LYS 8 HA LYS 8 4.097 5.472 -3.327
42 HB3 LYS 8 2HB LYS 8 4.110 3.175 -2.002
43 HG3 LYS 8 2HG LYS 8 4.536 5.788 -1.256
44 HD3 LYS 8 2HD LYS 8 2.089 5.070 -0.106
45 HE3 LYS 8 2HE LYS 8 3.686 3.736 1.458
46 HZ1 LYS 8 1HZ LYS 8 3.881 6.099 3.092
47 HZ2 LYS 8 2HZ LYS 8 4.888 6.135 1.734
48 HZ3 LYS 8 3HZ LYS 8 5.007 4.861 2.841
49 H LYS 9 H LYS 9 4.625 4.934 -5.361
50 HA LYS 9 HA LYS 9 3.384 2.707 -6.714
51 HB3 LYS 9 2HB LYS 9 4.774 3.333 -8.609
52 HG3 LYS 9 2HG LYS 9 3.109 5.271 -7.248
53 HD3 LYS 9 2HD LYS 9 4.154 6.906 -9.208
54 HE3 LYS 9 2HE LYS 9 3.481 7.138 -6.606
55 HZ1 LYS 9 1HZ LYS 9 5.203 7.214 -5.232
56 HZ2 LYS 9 2HZ LYS 9 6.103 8.197 -6.275
57 HZ3 LYS 9 3HZ LYS 9 6.146 6.515 -6.451
58 H ILE 10 H ILE 10 5.348 1.529 -8.144
59 HA ILE 10 HA ILE 10 6.403 -0.366 -6.352
60 HB ILE 10 HB ILE 10 7.306 0.175 -9.183
61 HG13 ILE 10 2HG1 ILE 10 5.703 -1.627 -9.783
62 HG21 ILE 10 1HG2 ILE 10 8.875 -1.319 -8.572
63 HG22 ILE 10 2HG2 ILE 10 7.945 -1.885 -7.186
64 HG23 ILE 10 3HG2 ILE 10 7.574 -2.487 -8.801
65 HD11 ILE 10 1HD1 ILE 10 5.565 -2.206 -7.124
66 HD12 ILE 10 2HD1 ILE 10 4.075 -1.300 -7.390
67 HD13 ILE 10 3HD1 ILE 10 4.416 -2.740 -8.349
68 H GLY 11 H GLY 11 8.109 -0.244 -5.058
69 HA2 GLY 11 2HA GLY 11 10.480 0.048 -4.774
70 HA3 GLY 11 3HA GLY 11 10.407 1.392 -5.905
71 H GLU 12 H GLU 12 7.769 1.638 -3.933
72 HA GLU 12 HA GLU 12 9.038 3.754 -2.390
73 HB3 GLU 12 2HB GLU 12 6.682 4.271 -1.697
74 HG3 GLU 12 2HG GLU 12 6.065 5.346 -3.638
75 H HIS 13 H HIS 13 8.015 3.982 -0.070
76 HA HIS 13 HA HIS 13 8.515 1.423 1.285
77 HB3 HIS 13 2HB HIS 13 8.571 4.188 2.504
78 HD1 HIS 13 1HD HIS 13 7.726 3.311 4.776
79 HD2 HIS 13 2HD HIS 13 11.081 1.325 3.341
80 HE1 HIS 13 1HE HIS 13 8.588 1.960 6.714
81 H CYS 14 H CYS 14 7.091 0.593 2.767
82 HA CYS 14 HA CYS 14 4.837 2.027 3.753
83 HB3 CYS 14 2HB CYS 14 3.856 1.753 1.616
84 H TYR 15 H TYR 15 3.767 0.924 5.389
85 HA TYR 15 HA TYR 15 5.193 -1.393 6.409
86 HB3 TYR 15 2HB TYR 15 3.784 -1.039 8.437
87 HD1 TYR 15 1HD TYR 15 6.166 -0.861 9.086
88 HD2 TYR 15 2HD TYR 15 4.058 2.432 7.407
89 HE1 TYR 15 1HE TYR 15 7.920 0.663 9.889
90 HE2 TYR 15 2HE TYR 15 5.808 3.966 8.204
91 HH TYR 15 HH TYR 15 7.751 4.155 9.254
92 H VAL 16 H VAL 16 2.053 -0.561 5.102
93 HA VAL 16 HA VAL 16 1.380 -3.421 5.050
94 HB VAL 16 HB VAL 16 -1.037 -2.747 5.412
95 HG11 VAL 16 1HG1 VAL 16 0.510 -2.101 7.874
96 HG12 VAL 16 2HG1 VAL 16 -0.880 -3.169 7.660
97 HG13 VAL 16 3HG1 VAL 16 0.721 -3.685 7.126
98 HG21 VAL 16 1HG2 VAL 16 -1.621 -0.664 6.195
99 HG22 VAL 16 2HG2 VAL 16 0.001 -0.313 6.792
100 HG23 VAL 16 3HG2 VAL 16 -0.336 -0.250 5.062
101 H ALA 17 H ALA 17 -0.681 -3.691 3.592
102 HA ALA 17 HA ALA 17 0.054 -2.824 0.991
103 HB1 ALA 17 1HB ALA 17 -2.246 -3.851 0.415
104 HB2 ALA 17 2HB ALA 17 -0.970 -4.905 1.025
105 HB3 ALA 17 3HB ALA 17 -2.258 -4.366 2.102
106 H ASP 18 H ASP 18 -2.547 -1.907 3.215
107 HA ASP 18 HA ASP 18 -3.993 -0.220 1.552
108 HB3 ASP 18 2HB ASP 18 -4.687 0.938 3.664
109 H GLU 19 H GLU 19 -0.997 0.347 3.279
110 HA GLU 19 HA GLU 19 -0.896 3.144 3.049
111 HB3 GLU 19 2HB GLU 19 1.741 2.083 2.838
112 HG3 GLU 19 2HG GLU 19 1.320 4.009 4.167
113 H CYS 20 H CYS 20 -0.135 0.584 0.796
114 HA CYS 20 HA CYS 20 1.038 2.446 -1.112
115 HB3 CYS 20 2HB CYS 20 0.650 -0.120 -2.274
116 H CYS 21 H CYS 21 -0.054 3.384 -2.709
117 HA CYS 21 HA CYS 21 -2.839 3.235 -2.933
118 HB3 CYS 21 2HB CYS 21 -1.795 4.121 -5.418
119 H SER 22 H SER 22 -0.306 1.404 -4.467
120 HA SER 22 HA SER 22 -2.060 0.261 -6.463
121 HB3 SER 22 2HB SER 22 0.735 -0.625 -5.718
122 HG SER 22 HG SER 22 0.625 -1.147 -8.059
123 H LYS 23 H LYS 23 -1.246 -0.357 -3.222
124 HA LYS 23 HA LYS 23 -1.851 -1.989 -1.757
125 HB3 LYS 23 2HB LYS 23 -3.760 -3.373 -2.260
126 HG3 LYS 23 2HG LYS 23 -5.013 -1.408 -3.785
127 HD3 LYS 23 2HD LYS 23 -4.702 -1.441 -0.786
128 HE3 LYS 23 2HE LYS 23 -7.233 -0.843 -1.133
129 HZ1 LYS 23 1HZ LYS 23 -6.212 1.598 -1.660
130 HZ2 LYS 23 2HZ LYS 23 -4.865 0.793 -1.028
131 HZ3 LYS 23 3HZ LYS 23 -6.292 0.895 -0.123
132 H ARG 24 H ARG 24 0.528 -2.374 -3.024
133 HA ARG 24 HA ARG 24 0.600 -5.301 -3.319
134 HB3 ARG 24 2HB ARG 24 2.755 -4.457 -4.798
135 HG3 ARG 24 2HG ARG 24 1.473 -5.021 -6.797
136 HD3 ARG 24 2HD ARG 24 0.550 -6.916 -4.674
137 HE ARG 24 HE ARG 24 1.000 -7.142 -7.458
138 HH11 ARG 24 1HH1 ARG 24 1.385 -8.882 -4.467
139 HH12 ARG 24 2HH1 ARG 24 1.281 -10.444 -5.211
140 HH21 ARG 24 1HH2 ARG 24 0.861 -9.193 -8.449
141 HH22 ARG 24 2HH2 ARG 24 0.984 -10.619 -7.475
142 H CYS 25 H CYS 25 1.042 -3.665 -0.975
143 HA CYS 25 HA CYS 25 3.916 -3.663 -0.562
144 HB3 CYS 25 2HB CYS 25 1.905 -3.126 1.598
145 H LEU 26 H LEU 26 4.973 -4.868 1.068
146 HA LEU 26 HA LEU 26 3.487 -7.180 2.108
147 HB3 LEU 26 2HB LEU 26 6.284 -7.347 1.006
148 HG LEU 26 HG LEU 26 5.393 -9.158 2.635
149 HD11 LEU 26 1HD1 LEU 26 3.205 -9.247 1.268
150 HD12 LEU 26 2HD1 LEU 26 3.922 -10.757 1.827
151 HD13 LEU 26 3HD1 LEU 26 4.130 -10.249 0.151
152 HD21 LEU 26 1HD2 LEU 26 6.295 -10.355 0.070
153 HD22 LEU 26 2HD2 LEU 26 6.880 -10.620 1.713
154 HD23 LEU 26 3HD2 LEU 26 7.338 -9.157 0.838
155 H PHE 27 H PHE 27 4.296 -8.075 4.048
156 HA PHE 27 HA PHE 27 5.363 -6.179 5.858
157 HB3 PHE 27 2HB PHE 27 5.581 -8.316 7.338
158 HD1 PHE 27 1HD PHE 27 4.249 -7.748 9.105
159 HD2 PHE 27 2HD PHE 27 2.648 -7.509 5.167
160 HE1 PHE 27 1HE PHE 27 2.107 -6.961 10.026
161 HE2 PHE 27 2HE PHE 27 0.505 -6.721 6.083
162 HZ PHE 27 HZ PHE 27 0.233 -6.444 8.514
163 H TYR 28 H TYR 28 6.781 -8.699 3.914
164 HA TYR 28 HA TYR 28 9.332 -8.563 5.290
165 HB3 TYR 28 2HB TYR 28 10.054 -10.195 3.540
166 HD1 TYR 28 1HD TYR 28 6.564 -11.185 3.822
167 HD2 TYR 28 2HD TYR 28 10.362 -11.262 5.740
168 HE1 TYR 28 1HE TYR 28 5.761 -12.954 5.328
169 HE2 TYR 28 2HE TYR 28 9.569 -13.033 7.250
170 HH TYR 28 HH TYR 28 7.187 -13.771 8.130
171 H ALA 29 H ALA 29 8.089 -7.819 2.038
172 HA ALA 29 HA ALA 29 10.501 -6.652 1.108
173 HB1 ALA 29 1HB ALA 29 9.440 -6.659 -0.845
174 HB2 ALA 29 2HB ALA 29 8.056 -7.366 -0.011
175 HB3 ALA 29 3HB ALA 29 8.159 -5.618 -0.225
176 H ALA 30 H ALA 30 7.565 -5.321 2.560
177 HA ALA 30 HA ALA 30 7.109 -3.302 3.505
178 HB1 ALA 30 1HB ALA 30 9.748 -2.180 3.685
179 HB2 ALA 30 2HB ALA 30 8.675 -2.733 4.972
180 HB3 ALA 30 3HB ALA 30 9.764 -3.873 4.181
181 H LYS 31 H LYS 31 7.998 -3.678 0.500
182 HA LYS 31 HA LYS 31 7.654 -0.846 -0.147
183 HB3 LYS 31 2HB LYS 31 9.939 -2.590 -0.998
184 HG3 LYS 31 2HG LYS 31 10.338 -0.501 -2.599
185 HD3 LYS 31 2HD LYS 31 9.222 -1.940 -4.430
186 HE3 LYS 31 2HE LYS 31 11.174 -3.470 -2.749
187 HZ1 LYS 31 1HZ LYS 31 11.595 -2.948 -5.574
188 HZ2 LYS 31 2HZ LYS 31 10.266 -3.927 -5.205
189 HZ3 LYS 31 3HZ LYS 31 11.815 -4.374 -4.691
190 H CYS 32 H CYS 32 6.434 -0.466 -1.943
191 HA CYS 32 HA CYS 32 4.635 -2.357 -2.841
192 HB3 CYS 32 2HB CYS 32 5.036 -0.520 -4.968
193 H VAL 33 H VAL 33 5.019 -4.197 -3.869
194 HA VAL 33 HA VAL 33 7.103 -4.237 -5.955
195 HB VAL 33 HB VAL 33 7.047 -6.782 -5.507
196 HG11 VAL 33 1HG1 VAL 33 8.337 -5.888 -3.149
197 HG12 VAL 33 2HG1 VAL 33 9.058 -6.282 -4.711
198 HG13 VAL 33 3HG1 VAL 33 8.531 -4.634 -4.373
199 HG21 VAL 33 1HG2 VAL 33 6.410 -6.226 -2.702
200 HG22 VAL 33 2HG2 VAL 33 5.031 -6.120 -3.797
201 HG23 VAL 33 3HG2 VAL 33 5.977 -7.605 -3.712
202 H SER 34 H SER 34 6.542 -4.845 -7.959
203 HA SER 34 HA SER 34 3.909 -4.890 -8.814
204 HB3 SER 34 2HB SER 34 6.453 -5.915 -10.055
205 HG SER 34 HG SER 34 5.383 -6.599 -11.780
Start of MODEL 18
1 H1 SER 1 H SER 1 -8.380 16.773 -19.196
2 HA SER 1 HA SER 1 -7.404 14.366 -19.087
3 HB3 SER 1 2HB SER 1 -4.782 15.146 -18.544
4 HG SER 1 HG SER 1 -5.815 13.313 -19.826
5 H GLN 2 H GLN 2 -7.264 13.629 -17.025
6 HA GLN 2 HA GLN 2 -7.516 15.613 -14.916
7 HB3 GLN 2 2HB GLN 2 -7.987 13.562 -13.497
8 HG3 GLN 2 2HG GLN 2 -10.000 13.067 -15.423
9 HE21 GLN 2 1HE2 GLN 2 -9.774 15.944 -13.420
10 HE22 GLN 2 2HE2 GLN 2 -10.858 15.399 -12.189
11 H GLU 3 H GLU 3 -6.385 15.197 -12.817
12 HA GLU 3 HA GLU 3 -3.732 13.996 -13.163
13 HB3 GLU 3 2HB GLU 3 -3.614 16.466 -13.583
14 HG3 GLU 3 2HG GLU 3 -4.149 16.723 -10.635
15 H GLN 4 H GLN 4 -2.956 12.966 -11.391
16 HA GLN 4 HA GLN 4 -4.135 13.440 -8.780
17 HB3 GLN 4 2HB GLN 4 -5.684 11.817 -9.555
18 HG3 GLN 4 2HG GLN 4 -4.263 9.496 -10.108
19 HE21 GLN 4 1HE2 GLN 4 -4.151 10.850 -13.024
20 HE22 GLN 4 2HE2 GLN 4 -5.784 10.633 -13.544
21 H ARG 5 H ARG 5 -2.937 12.491 -7.047
22 HA ARG 5 HA ARG 5 -0.176 11.821 -7.818
23 HB3 ARG 5 2HB ARG 5 -1.252 13.102 -5.302
24 HG3 ARG 5 2HG ARG 5 1.558 12.289 -5.991
25 HD3 ARG 5 2HD ARG 5 0.535 14.183 -3.885
26 HE ARG 5 HE ARG 5 2.883 12.542 -3.775
27 HH11 ARG 5 1HH1 ARG 5 1.528 15.627 -2.903
28 HH12 ARG 5 2HH1 ARG 5 2.612 15.874 -1.574
29 HH21 ARG 5 1HH2 ARG 5 4.315 12.855 -2.027
30 HH22 ARG 5 2HH2 ARG 5 4.197 14.296 -1.078
31 H GLN 6 H GLN 6 0.294 9.740 -7.627
32 HA GLN 6 HA GLN 6 -1.285 7.840 -6.316
33 HB3 GLN 6 2HB GLN 6 1.184 6.655 -6.410
34 HG3 GLN 6 2HG GLN 6 -0.796 5.761 -7.494
35 HE21 GLN 6 1HE2 GLN 6 -2.630 6.580 -8.215
36 HE22 GLN 6 2HE2 GLN 6 -2.807 7.623 -9.580
37 H CYS 7 H CYS 7 -0.503 6.381 -4.541
38 HA CYS 7 HA CYS 7 0.338 8.032 -2.292
39 HB3 CYS 7 2HB CYS 7 -0.594 6.394 -0.886
40 H LYS 8 H LYS 8 1.188 4.866 -3.689
41 HA LYS 8 HA LYS 8 3.986 5.336 -3.247
42 HB3 LYS 8 2HB LYS 8 4.043 3.042 -1.918
43 HG3 LYS 8 2HG LYS 8 4.394 5.667 -1.173
44 HD3 LYS 8 2HD LYS 8 1.952 4.888 -0.049
45 HE3 LYS 8 2HE LYS 8 3.561 3.595 1.535
46 HZ1 LYS 8 1HZ LYS 8 4.777 4.752 3.009
47 HZ2 LYS 8 2HZ LYS 8 3.680 6.036 3.100
48 HZ3 LYS 8 3HZ LYS 8 4.771 5.947 1.810
49 H LYS 9 H LYS 9 4.549 4.808 -5.275
50 HA LYS 9 HA LYS 9 3.378 2.549 -6.637
51 HB3 LYS 9 2HB LYS 9 4.771 3.207 -8.519
52 HG3 LYS 9 2HG LYS 9 3.045 5.102 -7.178
53 HD3 LYS 9 2HD LYS 9 4.079 6.769 -9.119
54 HE3 LYS 9 2HE LYS 9 5.112 7.172 -6.387
55 HZ1 LYS 9 1HZ LYS 9 3.920 9.284 -6.687
56 HZ2 LYS 9 2HZ LYS 9 3.372 8.755 -8.198
57 HZ3 LYS 9 3HZ LYS 9 5.027 8.989 -7.933
58 H ILE 10 H ILE 10 5.389 1.420 -8.045
59 HA ILE 10 HA ILE 10 6.471 -0.447 -6.237
60 HB ILE 10 HB ILE 10 7.390 0.113 -9.059
61 HG13 ILE 10 2HG1 ILE 10 5.841 -1.732 -9.673
62 HG21 ILE 10 1HG2 ILE 10 7.723 -2.540 -8.671
63 HG22 ILE 10 2HG2 ILE 10 8.990 -1.338 -8.431
64 HG23 ILE 10 3HG2 ILE 10 8.062 -1.927 -7.052
65 HD11 ILE 10 1HD1 ILE 10 5.688 -2.307 -7.014
66 HD12 ILE 10 2HD1 ILE 10 4.179 -1.440 -7.298
67 HD13 ILE 10 3HD1 ILE 10 4.566 -2.873 -8.250
68 H GLY 11 H GLY 11 8.158 -0.279 -4.925
69 HA2 GLY 11 2HA GLY 11 10.518 0.074 -4.615
70 HA3 GLY 11 3HA GLY 11 10.423 1.413 -5.748
71 H GLU 12 H GLU 12 7.759 1.594 -3.806
72 HA GLU 12 HA GLU 12 8.957 3.743 -2.252
73 HB3 GLU 12 2HB GLU 12 6.583 4.205 -1.588
74 HG3 GLU 12 2HG GLU 12 5.960 5.257 -3.537
75 H HIS 13 H HIS 13 7.902 3.949 0.055
76 HA HIS 13 HA HIS 13 8.451 1.405 1.420
77 HB3 HIS 13 2HB HIS 13 8.420 4.171 2.636
78 HD1 HIS 13 1HD HIS 13 7.575 3.277 4.901
79 HD2 HIS 13 2HD HIS 13 10.992 1.372 3.503
80 HE1 HIS 13 1HE HIS 13 8.448 1.950 6.850
81 H CYS 14 H CYS 14 7.034 0.545 2.893
82 HA CYS 14 HA CYS 14 4.731 1.919 3.848
83 HB3 CYS 14 2HB CYS 14 3.781 1.618 1.702
84 H TYR 15 H TYR 15 3.673 0.790 5.474
85 HA TYR 15 HA TYR 15 5.144 -1.488 6.512
86 HB3 TYR 15 2HB TYR 15 3.767 -1.162 8.537
87 HD1 TYR 15 1HD TYR 15 6.135 -0.786 9.147
88 HD2 TYR 15 2HD TYR 15 3.750 2.305 7.455
89 HE1 TYR 15 1HE TYR 15 7.775 0.884 9.903
90 HE2 TYR 15 2HE TYR 15 5.384 3.983 8.204
91 HH TYR 15 HH TYR 15 8.399 3.030 9.796
92 H VAL 16 H VAL 16 2.001 -0.737 5.167
93 HA VAL 16 HA VAL 16 1.400 -3.613 5.112
94 HB VAL 16 HB VAL 16 -1.031 -3.015 5.455
95 HG11 VAL 16 1HG1 VAL 16 0.379 -4.066 7.184
96 HG12 VAL 16 2HG1 VAL 16 0.811 -2.461 7.779
97 HG13 VAL 16 3HG1 VAL 16 -0.862 -3.016 7.868
98 HG21 VAL 16 1HG2 VAL 16 -0.216 -0.450 5.176
99 HG22 VAL 16 2HG2 VAL 16 -1.714 -0.931 5.972
100 HG23 VAL 16 3HG2 VAL 16 -0.278 -0.586 6.933
101 H ALA 17 H ALA 17 -0.637 -3.937 3.632
102 HA ALA 17 HA ALA 17 0.105 -3.053 1.038
103 HB1 ALA 17 1HB ALA 17 -0.866 -5.159 1.065
104 HB2 ALA 17 2HB ALA 17 -2.182 -4.651 2.124
105 HB3 ALA 17 3HB ALA 17 -2.161 -4.140 0.436
106 H ASP 18 H ASP 18 -2.543 -2.199 3.233
107 HA ASP 18 HA ASP 18 -4.012 -0.551 1.552
108 HB3 ASP 18 2HB ASP 18 -3.723 0.351 4.361
109 H GLU 19 H GLU 19 -1.049 0.094 3.311
110 HA GLU 19 HA GLU 19 -1.017 2.891 3.078
111 HB3 GLU 19 2HB GLU 19 1.617 2.305 3.044
112 HG3 GLU 19 2HG GLU 19 1.006 1.659 5.652
113 H CYS 20 H CYS 20 -0.167 0.348 0.837
114 HA CYS 20 HA CYS 20 0.980 2.237 -1.060
115 HB3 CYS 20 2HB CYS 20 0.669 -0.339 -2.223
116 H CYS 21 H CYS 21 -0.117 3.145 -2.671
117 HA CYS 21 HA CYS 21 -2.895 2.925 -2.925
118 HB3 CYS 21 2HB CYS 21 -1.846 3.835 -5.400
119 H SER 22 H SER 22 -0.300 1.156 -4.427
120 HA SER 22 HA SER 22 -2.001 -0.033 -6.441
121 HB3 SER 22 2HB SER 22 0.789 -0.900 -5.677
122 HG SER 22 HG SER 22 0.714 -1.959 -7.509
123 H LYS 23 H LYS 23 -1.210 -0.627 -3.191
124 HA LYS 23 HA LYS 23 -1.790 -2.271 -1.730
125 HB3 LYS 23 2HB LYS 23 -3.658 -3.704 -2.254
126 HG3 LYS 23 2HG LYS 23 -4.944 -1.772 -3.795
127 HD3 LYS 23 2HD LYS 23 -4.664 -1.794 -0.792
128 HE3 LYS 23 2HE LYS 23 -6.583 -0.640 -2.744
129 HZ1 LYS 23 1HZ LYS 23 -7.446 -1.423 -0.019
130 HZ2 LYS 23 2HZ LYS 23 -7.844 -2.311 -1.402
131 HZ3 LYS 23 3HZ LYS 23 -8.383 -0.716 -1.238
132 H ARG 24 H ARG 24 0.613 -2.597 -2.973
133 HA ARG 24 HA ARG 24 0.761 -5.521 -3.263
134 HB3 ARG 24 2HB ARG 24 2.910 -4.626 -4.717
135 HG3 ARG 24 2HG ARG 24 1.665 -5.222 -6.732
136 HD3 ARG 24 2HD ARG 24 0.672 -7.190 -4.745
137 HE ARG 24 HE ARG 24 2.477 -8.045 -6.785
138 HH11 ARG 24 1HH1 ARG 24 -0.809 -7.084 -6.156
139 HH12 ARG 24 2HH1 ARG 24 -1.462 -7.970 -7.494
140 HH21 ARG 24 1HH2 ARG 24 1.629 -9.216 -8.551
141 HH22 ARG 24 2HH2 ARG 24 -0.075 -9.183 -8.856
142 H CYS 25 H CYS 25 1.135 -3.872 -0.915
143 HA CYS 25 HA CYS 25 4.005 -3.798 -0.471
144 HB3 CYS 25 2HB CYS 25 1.957 -3.308 1.666
145 H LEU 26 H LEU 26 5.072 -4.974 1.172
146 HA LEU 26 HA LEU 26 3.632 -7.320 2.200
147 HB3 LEU 26 2HB LEU 26 6.444 -7.420 1.130
148 HG LEU 26 HG LEU 26 5.581 -9.250 2.751
149 HD11 LEU 26 1HD1 LEU 26 4.159 -10.885 1.930
150 HD12 LEU 26 2HD1 LEU 26 4.373 -10.375 0.256
151 HD13 LEU 26 3HD1 LEU 26 3.410 -9.394 1.360
152 HD21 LEU 26 1HD2 LEU 26 7.545 -9.203 0.977
153 HD22 LEU 26 2HD2 LEU 26 6.541 -10.426 0.198
154 HD23 LEU 26 3HD2 LEU 26 7.114 -10.676 1.848
155 H PHE 27 H PHE 27 4.443 -8.193 4.150
156 HA PHE 27 HA PHE 27 5.441 -6.268 5.969
157 HB3 PHE 27 2HB PHE 27 5.697 -8.398 7.455
158 HD1 PHE 27 1HD PHE 27 2.773 -7.654 5.252
159 HD2 PHE 27 2HD PHE 27 4.329 -7.871 9.207
160 HE1 PHE 27 1HE PHE 27 0.602 -6.915 6.142
161 HE2 PHE 27 2HE PHE 27 2.160 -7.133 10.104
162 HZ PHE 27 HZ PHE 27 0.293 -6.656 8.571
163 H TYR 28 H TYR 28 6.944 -8.754 4.044
164 HA TYR 28 HA TYR 28 9.474 -8.553 5.447
165 HB3 TYR 28 2HB TYR 28 10.257 -10.168 3.707
166 HD1 TYR 28 1HD TYR 28 6.791 -11.246 3.952
167 HD2 TYR 28 2HD TYR 28 10.567 -11.223 5.913
168 HE1 TYR 28 1HE TYR 28 6.016 -13.035 5.452
169 HE2 TYR 28 2HE TYR 28 9.803 -13.013 7.417
170 HH TYR 28 HH TYR 28 6.565 -13.910 7.710
171 H ALA 29 H ALA 29 8.251 -7.844 2.181
172 HA ALA 29 HA ALA 29 10.643 -6.618 1.278
173 HB1 ALA 29 1HB ALA 29 7.954 -5.971 0.132
174 HB2 ALA 29 2HB ALA 29 9.506 -6.147 -0.688
175 HB3 ALA 29 3HB ALA 29 8.662 -7.572 -0.084
176 H ALA 30 H ALA 30 7.658 -5.359 2.694
177 HA ALA 30 HA ALA 30 7.140 -3.351 3.630
178 HB1 ALA 30 1HB ALA 30 9.752 -2.168 3.835
179 HB2 ALA 30 2HB ALA 30 8.674 -2.734 5.112
180 HB3 ALA 30 3HB ALA 30 9.796 -3.857 4.342
181 H LYS 31 H LYS 31 8.072 -3.709 0.636
182 HA LYS 31 HA LYS 31 7.663 -0.887 -0.019
183 HB3 LYS 31 2HB LYS 31 10.001 -2.573 -0.842
184 HG3 LYS 31 2HG LYS 31 10.365 -0.477 -2.441
185 HD3 LYS 31 2HD LYS 31 9.309 -1.945 -4.283
186 HE3 LYS 31 2HE LYS 31 11.196 -3.616 -2.744
187 HZ1 LYS 31 1HZ LYS 31 12.388 -2.946 -5.024
188 HZ2 LYS 31 2HZ LYS 31 10.772 -2.751 -5.481
189 HZ3 LYS 31 3HZ LYS 31 11.307 -4.241 -4.885
190 H CYS 32 H CYS 32 6.455 -0.540 -1.829
191 HA CYS 32 HA CYS 32 4.714 -2.477 -2.745
192 HB3 CYS 32 2HB CYS 32 5.092 -0.634 -4.870
193 H VAL 33 H VAL 33 5.156 -4.308 -3.765
194 HA VAL 33 HA VAL 33 7.264 -4.298 -5.828
195 HB VAL 33 HB VAL 33 7.269 -6.843 -5.376
196 HG11 VAL 33 1HG1 VAL 33 9.255 -6.300 -4.548
197 HG12 VAL 33 2HG1 VAL 33 8.688 -4.657 -4.238
198 HG13 VAL 33 3HG1 VAL 33 8.503 -5.904 -3.003
199 HG21 VAL 33 1HG2 VAL 33 6.585 -6.303 -2.580
200 HG22 VAL 33 2HG2 VAL 33 5.217 -6.228 -3.689
201 HG23 VAL 33 3HG2 VAL 33 6.197 -7.691 -3.596
202 H SER 34 H SER 34 6.740 -4.922 -7.838
203 HA SER 34 HA SER 34 4.118 -5.037 -8.719
204 HB3 SER 34 2HB SER 34 6.493 -6.342 -10.068
205 HG SER 34 HG SER 34 5.116 -6.631 -11.613
Start of MODEL 19
1 H1 SER 1 H SER 1 3.136 14.343 -14.521
2 HA SER 1 HA SER 1 4.525 14.881 -16.624
3 HB3 SER 1 2HB SER 1 5.804 16.621 -15.363
4 HG SER 1 HG SER 1 7.585 14.850 -14.313
5 H GLN 2 H GLN 2 5.060 13.259 -13.549
6 HA GLN 2 HA GLN 2 5.616 10.785 -15.022
7 HB3 GLN 2 2HB GLN 2 7.793 11.530 -14.354
8 HG3 GLN 2 2HG GLN 2 6.933 11.624 -11.484
9 HE21 GLN 2 1HE2 GLN 2 8.781 10.979 -10.571
10 HE22 GLN 2 2HE2 GLN 2 10.332 11.676 -10.874
11 H GLU 3 H GLU 3 4.825 12.253 -11.891
12 HA GLU 3 HA GLU 3 3.416 9.785 -11.142
13 HB3 GLU 3 2HB GLU 3 5.166 10.704 -9.592
14 HG3 GLU 3 2HG GLU 3 3.263 12.694 -8.547
15 H GLN 4 H GLN 4 1.313 9.947 -10.163
16 HA GLN 4 HA GLN 4 -0.171 12.349 -11.004
17 HB3 GLN 4 2HB GLN 4 -1.520 9.691 -10.797
18 HG3 GLN 4 2HG GLN 4 -2.028 12.274 -12.095
19 HE21 GLN 4 1HE2 GLN 4 -2.557 12.618 -14.132
20 HE22 GLN 4 2HE2 GLN 4 -2.872 11.402 -15.318
21 H ARG 5 H ARG 5 0.865 12.461 -8.552
22 HA ARG 5 HA ARG 5 0.378 12.774 -6.353
23 HB3 ARG 5 2HB ARG 5 -2.546 12.493 -6.916
24 HG3 ARG 5 2HG ARG 5 -1.061 14.670 -5.471
25 HD3 ARG 5 2HD ARG 5 -3.946 13.791 -5.475
26 HE ARG 5 HE ARG 5 -2.589 15.271 -3.504
27 HH11 ARG 5 1HH1 ARG 5 -5.487 15.367 -5.431
28 HH12 ARG 5 2HH1 ARG 5 -6.391 16.273 -4.261
29 HH21 ARG 5 1HH2 ARG 5 -3.768 16.462 -1.957
30 HH22 ARG 5 2HH2 ARG 5 -5.410 16.896 -2.286
31 H GLN 6 H GLN 6 0.891 10.124 -7.177
32 HA GLN 6 HA GLN 6 -1.011 8.324 -6.039
33 HB3 GLN 6 2HB GLN 6 1.137 6.781 -6.149
34 HG3 GLN 6 2HG GLN 6 0.841 6.748 -8.743
35 HE21 GLN 6 1HE2 GLN 6 -2.386 6.892 -7.797
36 HE22 GLN 6 2HE2 GLN 6 -2.600 5.231 -7.376
37 H CYS 7 H CYS 7 -0.243 6.722 -4.310
38 HA CYS 7 HA CYS 7 0.588 8.292 -2.000
39 HB3 CYS 7 2HB CYS 7 -0.377 6.620 -0.657
40 H LYS 8 H LYS 8 1.420 5.161 -3.485
41 HA LYS 8 HA LYS 8 4.218 5.585 -2.994
42 HB3 LYS 8 2HB LYS 8 4.232 3.249 -1.737
43 HG3 LYS 8 2HG LYS 8 4.603 5.844 -0.904
44 HD3 LYS 8 2HD LYS 8 2.137 5.048 0.167
45 HE3 LYS 8 2HE LYS 8 3.714 3.712 1.739
46 HZ1 LYS 8 1HZ LYS 8 4.506 6.415 2.269
47 HZ2 LYS 8 2HZ LYS 8 5.252 4.964 2.717
48 HZ3 LYS 8 3HZ LYS 8 4.006 5.602 3.666
49 H LYS 9 H LYS 9 4.797 5.116 -5.033
50 HA LYS 9 HA LYS 9 3.622 2.908 -6.475
51 HB3 LYS 9 2HB LYS 9 5.046 3.614 -8.321
52 HG3 LYS 9 2HG LYS 9 4.470 6.322 -7.530
53 HD3 LYS 9 2HD LYS 9 4.500 5.324 -9.839
54 HE3 LYS 9 2HE LYS 9 2.043 4.018 -8.738
55 HZ1 LYS 9 1HZ LYS 9 2.482 4.281 -11.644
56 HZ2 LYS 9 2HZ LYS 9 1.558 5.423 -10.806
57 HZ3 LYS 9 3HZ LYS 9 1.085 3.799 -10.822
58 H ILE 10 H ILE 10 5.587 1.765 -7.886
59 HA ILE 10 HA ILE 10 6.657 -0.145 -6.133
60 HB ILE 10 HB ILE 10 7.609 0.489 -8.928
61 HG13 ILE 10 2HG1 ILE 10 6.043 -1.315 -9.615
62 HG21 ILE 10 1HG2 ILE 10 7.904 -2.181 -8.615
63 HG22 ILE 10 2HG2 ILE 10 9.184 -1.003 -8.330
64 HG23 ILE 10 3HG2 ILE 10 8.237 -1.619 -6.978
65 HD11 ILE 10 1HD1 ILE 10 5.859 -1.974 -6.977
66 HD12 ILE 10 2HD1 ILE 10 4.362 -1.080 -7.247
67 HD13 ILE 10 3HD1 ILE 10 4.742 -2.487 -8.240
68 H GLY 11 H GLY 11 8.329 -0.025 -4.796
69 HA2 GLY 11 2HA GLY 11 10.692 0.293 -4.458
70 HA3 GLY 11 3HA GLY 11 10.619 1.666 -5.553
71 H GLU 12 H GLU 12 7.939 1.827 -3.638
72 HA GLU 12 HA GLU 12 9.147 3.911 -2.005
73 HB3 GLU 12 2HB GLU 12 6.761 4.371 -1.351
74 HG3 GLU 12 2HG GLU 12 6.192 5.522 -3.263
75 H HIS 13 H HIS 13 8.105 4.069 0.297
76 HA HIS 13 HA HIS 13 8.589 1.478 1.592
77 HB3 HIS 13 2HB HIS 13 8.569 4.207 2.890
78 HD1 HIS 13 1HD HIS 13 7.694 3.258 5.119
79 HD2 HIS 13 2HD HIS 13 11.101 1.352 3.697
80 HE1 HIS 13 1HE HIS 13 8.533 1.861 7.034
81 H CYS 14 H CYS 14 7.146 0.592 3.027
82 HA CYS 14 HA CYS 14 4.843 1.962 3.987
83 HB3 CYS 14 2HB CYS 14 3.922 1.729 1.818
84 H TYR 15 H TYR 15 3.755 0.801 5.569
85 HA TYR 15 HA TYR 15 5.190 -1.522 6.561
86 HB3 TYR 15 2HB TYR 15 3.714 -1.241 8.560
87 HD1 TYR 15 1HD TYR 15 4.128 2.237 7.500
88 HD2 TYR 15 2HD TYR 15 5.982 -1.072 9.428
89 HE1 TYR 15 1HE TYR 15 5.859 3.737 8.396
90 HE2 TYR 15 2HE TYR 15 7.718 0.419 10.330
91 HH TYR 15 HH TYR 15 8.718 2.751 9.566
92 H VAL 16 H VAL 16 2.067 -0.696 5.210
93 HA VAL 16 HA VAL 16 1.434 -3.562 5.068
94 HB VAL 16 HB VAL 16 -0.997 -2.936 5.399
95 HG11 VAL 16 1HG1 VAL 16 0.130 -2.273 7.987
96 HG12 VAL 16 2HG1 VAL 16 -0.759 -3.709 7.476
97 HG13 VAL 16 3HG1 VAL 16 0.983 -3.608 7.213
98 HG21 VAL 16 1HG2 VAL 16 -0.189 -0.567 6.955
99 HG22 VAL 16 2HG2 VAL 16 -0.160 -0.382 5.202
100 HG23 VAL 16 3HG2 VAL 16 -1.649 -0.863 6.013
101 H ALA 17 H ALA 17 -0.588 -3.822 3.558
102 HA ALA 17 HA ALA 17 0.188 -2.874 0.998
103 HB1 ALA 17 1HB ALA 17 -2.119 -4.482 2.020
104 HB2 ALA 17 2HB ALA 17 -2.087 -3.919 0.348
105 HB3 ALA 17 3HB ALA 17 -0.804 -4.969 0.949
106 H ASP 18 H ASP 18 -2.473 -2.056 3.187
107 HA ASP 18 HA ASP 18 -3.909 -0.345 1.539
108 HB3 ASP 18 2HB ASP 18 -4.106 0.828 4.040
109 H GLU 19 H GLU 19 -0.958 0.218 3.347
110 HA GLU 19 HA GLU 19 -0.895 3.021 3.194
111 HB3 GLU 19 2HB GLU 19 1.741 2.366 3.148
112 HG3 GLU 19 2HG GLU 19 1.629 2.162 5.630
113 H CYS 20 H CYS 20 -0.045 0.534 0.892
114 HA CYS 20 HA CYS 20 1.145 2.461 -0.938
115 HB3 CYS 20 2HB CYS 20 0.816 -0.076 -2.177
116 H CYS 21 H CYS 21 0.077 3.429 -2.534
117 HA CYS 21 HA CYS 21 -2.701 3.252 -2.825
118 HB3 CYS 21 2HB CYS 21 -1.613 4.219 -5.261
119 H SER 22 H SER 22 -0.110 1.494 -4.349
120 HA SER 22 HA SER 22 -1.806 0.384 -6.413
121 HB3 SER 22 2HB SER 22 0.995 -0.453 -5.625
122 HG SER 22 HG SER 22 0.472 -0.651 -8.218
123 H LYS 23 H LYS 23 -1.053 -0.312 -3.174
124 HA LYS 23 HA LYS 23 -1.666 -1.991 -1.766
125 HB3 LYS 23 2HB LYS 23 -3.545 -3.385 -2.350
126 HG3 LYS 23 2HG LYS 23 -4.792 -1.395 -3.847
127 HD3 LYS 23 2HD LYS 23 -4.544 -1.510 -0.843
128 HE3 LYS 23 2HE LYS 23 -6.569 -0.418 -2.768
129 HZ1 LYS 23 1HZ LYS 23 -7.098 -1.731 -0.280
130 HZ2 LYS 23 2HZ LYS 23 -8.178 -1.195 -1.465
131 HZ3 LYS 23 3HZ LYS 23 -7.629 -0.124 -0.277
132 H ARG 24 H ARG 24 0.745 -2.311 -2.988
133 HA ARG 24 HA ARG 24 0.862 -5.227 -3.362
134 HB3 ARG 24 2HB ARG 24 3.037 -4.316 -4.769
135 HG3 ARG 24 2HG ARG 24 1.807 -4.839 -6.811
136 HD3 ARG 24 2HD ARG 24 0.950 -6.769 -4.671
137 HE ARG 24 HE ARG 24 2.072 -7.730 -7.137
138 HH11 ARG 24 1HH1 ARG 24 -0.836 -6.702 -5.521
139 HH12 ARG 24 2HH1 ARG 24 -1.890 -7.588 -6.574
140 HH21 ARG 24 1HH2 ARG 24 0.695 -8.902 -8.528
141 HH22 ARG 24 2HH2 ARG 24 -1.017 -8.840 -8.283
142 H CYS 25 H CYS 25 1.230 -3.650 -0.965
143 HA CYS 25 HA CYS 25 4.095 -3.623 -0.488
144 HB3 CYS 25 2HB CYS 25 2.030 -3.170 1.641
145 H LEU 26 H LEU 26 5.133 -4.860 1.127
146 HA LEU 26 HA LEU 26 3.655 -7.217 2.074
147 HB3 LEU 26 2HB LEU 26 6.475 -7.321 1.028
148 HG LEU 26 HG LEU 26 5.573 -9.187 2.588
149 HD11 LEU 26 1HD1 LEU 26 4.142 -10.779 1.704
150 HD12 LEU 26 2HD1 LEU 26 4.380 -10.225 0.047
151 HD13 LEU 26 3HD1 LEU 26 3.416 -9.263 1.169
152 HD21 LEU 26 1HD2 LEU 26 7.558 -9.112 0.840
153 HD22 LEU 26 2HD2 LEU 26 6.549 -10.297 0.009
154 HD23 LEU 26 3HD2 LEU 26 7.097 -10.606 1.658
155 H PHE 27 H PHE 27 4.436 -8.156 4.005
156 HA PHE 27 HA PHE 27 5.440 -6.297 5.888
157 HB3 PHE 27 2HB PHE 27 5.652 -8.467 7.317
158 HD1 PHE 27 1HD PHE 27 4.259 -7.997 9.065
159 HD2 PHE 27 2HD PHE 27 2.771 -7.620 5.095
160 HE1 PHE 27 1HE PHE 27 2.084 -7.266 9.953
161 HE2 PHE 27 2HE PHE 27 0.594 -6.888 5.976
162 HZ PHE 27 HZ PHE 27 0.248 -6.709 8.408
163 H TYR 28 H TYR 28 6.932 -8.741 3.904
164 HA TYR 28 HA TYR 28 9.450 -8.616 5.337
165 HB3 TYR 28 2HB TYR 28 10.230 -10.184 3.552
166 HD1 TYR 28 1HD TYR 28 6.750 -11.227 3.742
167 HD2 TYR 28 2HD TYR 28 10.514 -11.312 5.724
168 HE1 TYR 28 1HE TYR 28 5.944 -13.052 5.181
169 HE2 TYR 28 2HE TYR 28 9.719 -13.139 7.167
170 HH TYR 28 HH TYR 28 7.669 -14.099 7.959
171 H ALA 29 H ALA 29 8.268 -7.791 2.082
172 HA ALA 29 HA ALA 29 10.684 -6.565 1.241
173 HB1 ALA 29 1HB ALA 29 9.607 -6.100 -0.731
174 HB2 ALA 29 2HB ALA 29 8.634 -7.445 -0.132
175 HB3 ALA 29 3HB ALA 29 8.061 -5.787 0.059
176 H ALA 30 H ALA 30 7.697 -5.317 2.663
177 HA ALA 30 HA ALA 30 7.191 -3.333 3.657
178 HB1 ALA 30 1HB ALA 30 9.804 -2.173 3.929
179 HB2 ALA 30 2HB ALA 30 8.719 -2.793 5.175
180 HB3 ALA 30 3HB ALA 30 9.846 -3.881 4.365
181 H LYS 31 H LYS 31 8.150 -3.611 0.663
182 HA LYS 31 HA LYS 31 7.773 -0.766 0.088
183 HB3 LYS 31 2HB LYS 31 10.106 -2.447 -0.760
184 HG3 LYS 31 2HG LYS 31 10.504 -0.308 -2.292
185 HD3 LYS 31 2HD LYS 31 9.460 -1.709 -4.190
186 HE3 LYS 31 2HE LYS 31 11.791 -2.112 -2.555
187 HZ1 LYS 31 1HZ LYS 31 12.149 -4.321 -2.640
188 HZ2 LYS 31 2HZ LYS 31 11.262 -4.543 -4.063
189 HZ3 LYS 31 3HZ LYS 31 10.461 -4.400 -2.579
190 H CYS 32 H CYS 32 6.591 -0.355 -1.727
191 HA CYS 32 HA CYS 32 4.841 -2.246 -2.717
192 HB3 CYS 32 2HB CYS 32 5.263 -0.348 -4.785
193 H VAL 33 H VAL 33 5.271 -4.051 -3.787
194 HA VAL 33 HA VAL 33 7.404 -4.006 -5.822
195 HB VAL 33 HB VAL 33 7.374 -6.563 -5.444
196 HG11 VAL 33 1HG1 VAL 33 8.806 -4.428 -4.232
197 HG12 VAL 33 2HG1 VAL 33 8.599 -5.709 -3.035
198 HG13 VAL 33 3HG1 VAL 33 9.359 -6.064 -4.587
199 HG21 VAL 33 1HG2 VAL 33 5.313 -5.973 -3.764
200 HG22 VAL 33 2HG2 VAL 33 6.278 -7.448 -3.694
201 HG23 VAL 33 3HG2 VAL 33 6.666 -6.089 -2.639
202 H SER 34 H SER 34 6.898 -4.568 -7.856
203 HA SER 34 HA SER 34 4.284 -4.631 -8.769
204 HB3 SER 34 2HB SER 34 6.924 -5.375 -9.936
205 HG SER 34 HG SER 34 5.310 -5.679 -11.902
Start of MODEL 20
1 H1 SER 1 H SER 1 -11.667 14.867 -15.711
2 HA SER 1 HA SER 1 -9.133 15.942 -14.657
3 HB3 SER 1 2HB SER 1 -10.515 15.304 -12.820
4 HG SER 1 HG SER 1 -10.824 12.668 -13.654
5 H GLN 2 H GLN 2 -7.318 14.455 -14.561
6 HA GLN 2 HA GLN 2 -7.429 12.401 -16.671
7 HB3 GLN 2 2HB GLN 2 -4.901 12.966 -16.878
8 HG3 GLN 2 2HG GLN 2 -6.488 15.268 -17.850
9 HE21 GLN 2 1HE2 GLN 2 -5.205 16.281 -19.198
10 HE22 GLN 2 2HE2 GLN 2 -3.970 15.568 -20.172
11 H GLU 3 H GLU 3 -5.056 13.356 -14.191
12 HA GLU 3 HA GLU 3 -5.193 10.614 -13.127
13 HB3 GLU 3 2HB GLU 3 -3.170 10.782 -14.446
14 HG3 GLU 3 2HG GLU 3 -1.944 12.833 -12.708
15 H GLN 4 H GLN 4 -3.771 10.637 -10.958
16 HA GLN 4 HA GLN 4 -4.456 13.032 -9.408
17 HB3 GLN 4 2HB GLN 4 -6.241 11.357 -9.075
18 HG3 GLN 4 2HG GLN 4 -4.464 9.617 -7.482
19 HE21 GLN 4 1HE2 GLN 4 -6.502 9.357 -6.416
20 HE22 GLN 4 2HE2 GLN 4 -7.718 8.342 -7.108
21 H ARG 5 H ARG 5 -3.597 12.367 -6.959
22 HA ARG 5 HA ARG 5 -0.727 12.126 -7.362
23 HB3 ARG 5 2HB ARG 5 -2.290 12.754 -4.853
24 HG3 ARG 5 2HG ARG 5 0.157 11.939 -4.669
25 HD3 ARG 5 2HD ARG 5 1.406 14.380 -4.789
26 HE ARG 5 HE ARG 5 1.774 12.757 -7.131
27 HH11 ARG 5 1HH1 ARG 5 2.377 13.029 -3.713
28 HH12 ARG 5 2HH1 ARG 5 3.763 11.991 -3.742
29 HH21 ARG 5 1HH2 ARG 5 3.598 11.387 -7.183
30 HH22 ARG 5 2HH2 ARG 5 4.457 11.058 -5.717
31 H GLN 6 H GLN 6 0.259 10.233 -7.197
32 HA GLN 6 HA GLN 6 -1.024 7.915 -6.163
33 HB3 GLN 6 2HB GLN 6 1.199 6.833 -6.538
34 HG3 GLN 6 2HG GLN 6 -0.542 7.814 -8.474
35 HE21 GLN 6 1HE2 GLN 6 0.938 7.154 -10.840
36 HE22 GLN 6 2HE2 GLN 6 1.843 8.559 -11.281
37 H CYS 7 H CYS 7 -0.350 6.609 -4.384
38 HA CYS 7 HA CYS 7 0.499 8.215 -2.104
39 HB3 CYS 7 2HB CYS 7 -0.446 6.557 -0.729
40 H LYS 8 H LYS 8 1.329 5.066 -3.554
41 HA LYS 8 HA LYS 8 4.130 5.508 -3.098
42 HB3 LYS 8 2HB LYS 8 4.167 3.191 -1.809
43 HG3 LYS 8 2HG LYS 8 4.535 5.799 -1.016
44 HD3 LYS 8 2HD LYS 8 2.085 5.008 0.092
45 HE3 LYS 8 2HE LYS 8 3.681 3.699 1.665
46 HZ1 LYS 8 1HZ LYS 8 4.820 4.851 3.251
47 HZ2 LYS 8 2HZ LYS 8 3.854 6.234 3.126
48 HZ3 LYS 8 3HZ LYS 8 5.019 5.908 1.945
49 H LYS 9 H LYS 9 4.690 5.014 -5.136
50 HA LYS 9 HA LYS 9 3.509 2.781 -6.535
51 HB3 LYS 9 2HB LYS 9 4.910 3.466 -8.405
52 HG3 LYS 9 2HG LYS 9 4.335 6.182 -7.638
53 HD3 LYS 9 2HD LYS 9 2.673 5.943 -9.480
54 HE3 LYS 9 2HE LYS 9 5.258 4.691 -10.343
55 HZ1 LYS 9 1HZ LYS 9 3.265 5.572 -11.811
56 HZ2 LYS 9 2HZ LYS 9 4.876 5.730 -12.301
57 HZ3 LYS 9 3HZ LYS 9 4.072 7.043 -11.600
58 H ILE 10 H ILE 10 5.467 1.628 -7.950
59 HA ILE 10 HA ILE 10 6.561 -0.254 -6.181
60 HB ILE 10 HB ILE 10 7.482 0.346 -8.994
61 HG13 ILE 10 2HG1 ILE 10 5.919 -1.477 -9.639
62 HG21 ILE 10 1HG2 ILE 10 8.141 -1.731 -7.019
63 HG22 ILE 10 2HG2 ILE 10 7.793 -2.318 -8.645
64 HG23 ILE 10 3HG2 ILE 10 9.072 -1.129 -8.392
65 HD11 ILE 10 1HD1 ILE 10 4.635 -2.632 -8.233
66 HD12 ILE 10 2HD1 ILE 10 5.763 -2.095 -6.988
67 HD13 ILE 10 3HD1 ILE 10 4.260 -1.212 -7.258
68 H GLY 11 H GLY 11 8.248 -0.112 -4.864
69 HA2 GLY 11 2HA GLY 11 10.612 0.221 -4.553
70 HA3 GLY 11 3HA GLY 11 10.522 1.580 -5.665
71 H GLU 12 H GLU 12 7.859 1.759 -3.731
72 HA GLU 12 HA GLU 12 9.075 3.867 -2.135
73 HB3 GLU 12 2HB GLU 12 6.694 4.328 -1.464
74 HG3 GLU 12 2HG GLU 12 6.102 5.449 -3.387
75 H HIS 13 H HIS 13 8.057 4.052 0.174
76 HA HIS 13 HA HIS 13 8.564 1.481 1.499
77 HB3 HIS 13 2HB HIS 13 8.545 4.228 2.760
78 HD1 HIS 13 1HD HIS 13 7.695 3.306 5.009
79 HD2 HIS 13 2HD HIS 13 11.097 1.395 3.582
80 HE1 HIS 13 1HE HIS 13 8.556 1.940 6.937
81 H CYS 14 H CYS 14 7.143 0.612 2.966
82 HA CYS 14 HA CYS 14 4.842 1.983 3.929
83 HB3 CYS 14 2HB CYS 14 3.900 1.718 1.773
84 H TYR 15 H TYR 15 3.774 0.837 5.536
85 HA TYR 15 HA TYR 15 5.229 -1.468 6.541
86 HB3 TYR 15 2HB TYR 15 3.789 -1.165 8.557
87 HD1 TYR 15 1HD TYR 15 3.923 2.338 7.780
88 HD2 TYR 15 2HD TYR 15 6.271 -0.981 9.036
89 HE1 TYR 15 1HE TYR 15 5.642 3.881 8.624
90 HE2 TYR 15 2HE TYR 15 7.996 0.554 9.885
91 HH TYR 15 HH TYR 15 8.314 2.784 10.545
92 H VAL 16 H VAL 16 2.087 -0.668 5.216
93 HA VAL 16 HA VAL 16 1.462 -3.538 5.118
94 HB VAL 16 HB VAL 16 -0.958 -2.941 5.481
95 HG11 VAL 16 1HG1 VAL 16 -0.781 -3.401 7.697
96 HG12 VAL 16 2HG1 VAL 16 0.895 -3.709 7.240
97 HG13 VAL 16 3HG1 VAL 16 0.449 -2.167 7.969
98 HG21 VAL 16 1HG2 VAL 16 -0.124 -0.476 6.896
99 HG22 VAL 16 2HG2 VAL 16 -0.237 -0.394 5.138
100 HG23 VAL 16 3HG2 VAL 16 -1.645 -0.862 6.092
101 H ALA 17 H ALA 17 -0.573 -3.827 3.631
102 HA ALA 17 HA ALA 17 0.176 -2.911 1.051
103 HB1 ALA 17 1HB ALA 17 -2.116 -4.513 2.117
104 HB2 ALA 17 2HB ALA 17 -2.100 -3.973 0.438
105 HB3 ALA 17 3HB ALA 17 -0.808 -5.010 1.043
106 H ASP 18 H ASP 18 -2.467 -2.073 3.256
107 HA ASP 18 HA ASP 18 -3.925 -0.390 1.598
108 HB3 ASP 18 2HB ASP 18 -3.537 0.284 4.496
109 H GLU 19 H GLU 19 -0.961 0.209 3.370
110 HA GLU 19 HA GLU 19 -0.910 3.011 3.177
111 HB3 GLU 19 2HB GLU 19 1.749 2.187 3.036
112 HG3 GLU 19 2HG GLU 19 0.700 3.789 4.655
113 H CYS 20 H CYS 20 -0.073 0.495 0.901
114 HA CYS 20 HA CYS 20 1.092 2.401 -0.966
115 HB3 CYS 20 2HB CYS 20 0.761 -0.154 -2.167
116 H CYS 21 H CYS 21 0.003 3.344 -2.562
117 HA CYS 21 HA CYS 21 -2.776 3.151 -2.825
118 HB3 CYS 21 2HB CYS 21 -1.715 4.089 -5.285
119 H SER 22 H SER 22 -0.193 1.385 -4.353
120 HA SER 22 HA SER 22 -1.903 0.240 -6.385
121 HB3 SER 22 2HB SER 22 0.938 -0.455 -5.594
122 HG SER 22 HG SER 22 0.691 -1.136 -7.994
123 H LYS 23 H LYS 23 -1.117 -0.409 -3.144
124 HA LYS 23 HA LYS 23 -1.711 -2.071 -1.708
125 HB3 LYS 23 2HB LYS 23 -3.591 -3.479 -2.254
126 HG3 LYS 23 2HG LYS 23 -4.859 -1.514 -3.766
127 HD3 LYS 23 2HD LYS 23 -4.582 -1.587 -0.764
128 HE3 LYS 23 2HE LYS 23 -6.502 -0.396 -2.699
129 HZ1 LYS 23 1HZ LYS 23 -7.267 -1.881 -0.324
130 HZ2 LYS 23 2HZ LYS 23 -8.179 -1.477 -1.689
131 HZ3 LYS 23 3HZ LYS 23 -7.940 -0.336 -0.465
132 H ARG 24 H ARG 24 0.690 -2.400 -2.944
133 HA ARG 24 HA ARG 24 0.815 -5.321 -3.281
134 HB3 ARG 24 2HB ARG 24 2.971 -4.421 -4.723
135 HG3 ARG 24 2HG ARG 24 1.722 -4.980 -6.745
136 HD3 ARG 24 2HD ARG 24 0.870 -6.890 -4.589
137 HE ARG 24 HE ARG 24 2.058 -7.903 -6.987
138 HH11 ARG 24 1HH1 ARG 24 -0.901 -6.741 -5.568
139 HH12 ARG 24 2HH1 ARG 24 -1.922 -7.613 -6.664
140 HH21 ARG 24 1HH2 ARG 24 0.724 -9.057 -8.435
141 HH22 ARG 24 2HH2 ARG 24 -0.996 -8.930 -8.294
142 H CYS 25 H CYS 25 1.200 -3.709 -0.910
143 HA CYS 25 HA CYS 25 4.071 -3.664 -0.463
144 HB3 CYS 25 2HB CYS 25 2.025 -3.191 1.680
145 H LEU 26 H LEU 26 5.130 -4.874 1.158
146 HA LEU 26 HA LEU 26 3.671 -7.224 2.152
147 HB3 LEU 26 2HB LEU 26 6.481 -7.331 1.078
148 HG LEU 26 HG LEU 26 5.603 -9.179 2.673
149 HD11 LEU 26 1HD1 LEU 26 4.386 -10.254 0.160
150 HD12 LEU 26 2HD1 LEU 26 3.431 -9.284 1.280
151 HD13 LEU 26 3HD1 LEU 26 4.168 -10.790 1.826
152 HD21 LEU 26 1HD2 LEU 26 7.568 -9.121 0.904
153 HD22 LEU 26 2HD2 LEU 26 6.555 -10.320 0.099
154 HD23 LEU 26 3HD2 LEU 26 7.122 -10.605 1.746
155 H PHE 27 H PHE 27 4.477 -8.134 4.088
156 HA PHE 27 HA PHE 27 5.493 -6.244 5.935
157 HB3 PHE 27 2HB PHE 27 5.731 -8.400 7.387
158 HD1 PHE 27 1HD PHE 27 2.808 -7.606 5.202
159 HD2 PHE 27 2HD PHE 27 4.375 -7.874 9.149
160 HE1 PHE 27 1HE PHE 27 0.644 -6.862 6.107
161 HE2 PHE 27 2HE PHE 27 2.214 -7.132 10.061
162 HZ PHE 27 HZ PHE 27 0.345 -6.625 8.539
163 H TYR 28 H TYR 28 6.974 -8.710 3.968
164 HA TYR 28 HA TYR 28 9.506 -8.557 5.373
165 HB3 TYR 28 2HB TYR 28 10.273 -10.145 3.601
166 HD1 TYR 28 1HD TYR 28 6.795 -11.190 3.851
167 HD2 TYR 28 2HD TYR 28 10.589 -11.253 5.775
168 HE1 TYR 28 1HE TYR 28 6.012 -12.999 5.323
169 HE2 TYR 28 2HE TYR 28 9.817 -13.063 7.252
170 HH TYR 28 HH TYR 28 6.531 -13.973 7.478
171 H ALA 29 H ALA 29 8.288 -7.779 2.120
172 HA ALA 29 HA ALA 29 10.691 -6.556 1.240
173 HB1 ALA 29 1HB ALA 29 8.299 -7.316 0.066
174 HB2 ALA 29 2HB ALA 29 8.320 -5.558 -0.093
175 HB3 ALA 29 3HB ALA 29 9.655 -6.518 -0.731
176 H ALA 30 H ALA 30 7.712 -5.301 2.674
177 HA ALA 30 HA ALA 30 7.209 -3.306 3.646
178 HB1 ALA 30 1HB ALA 30 9.872 -3.835 4.335
179 HB2 ALA 30 2HB ALA 30 9.820 -2.133 3.874
180 HB3 ALA 30 3HB ALA 30 8.749 -2.738 5.140
181 H LYS 31 H LYS 31 8.138 -3.620 0.645
182 HA LYS 31 HA LYS 31 7.743 -0.786 0.036
183 HB3 LYS 31 2HB LYS 31 10.073 -2.468 -0.812
184 HG3 LYS 31 2HG LYS 31 10.447 -0.350 -2.379
185 HD3 LYS 31 2HD LYS 31 9.391 -1.784 -4.245
186 HE3 LYS 31 2HE LYS 31 11.241 -3.529 -2.772
187 HZ1 LYS 31 1HZ LYS 31 11.115 -3.902 -5.047
188 HZ2 LYS 31 2HZ LYS 31 12.545 -3.013 -4.883
189 HZ3 LYS 31 3HZ LYS 31 11.136 -2.256 -5.433
190 H CYS 32 H CYS 32 6.540 -0.404 -1.772
191 HA CYS 32 HA CYS 32 4.788 -2.315 -2.719
192 HB3 CYS 32 2HB CYS 32 5.180 -0.445 -4.818
193 H VAL 33 H VAL 33 5.215 -4.133 -3.767
194 HA VAL 33 HA VAL 33 7.327 -4.109 -5.825
195 HB VAL 33 HB VAL 33 7.309 -6.662 -5.410
196 HG11 VAL 33 1HG1 VAL 33 9.301 -6.151 -4.576
197 HG12 VAL 33 2HG1 VAL 33 8.751 -4.506 -4.250
198 HG13 VAL 33 3HG1 VAL 33 8.555 -5.762 -3.026
199 HG21 VAL 33 1HG2 VAL 33 6.631 -6.145 -2.605
200 HG22 VAL 33 2HG2 VAL 33 5.264 -6.056 -3.716
201 HG23 VAL 33 3HG2 VAL 33 6.238 -7.523 -3.633
202 H SER 34 H SER 34 6.803 -4.701 -7.845
203 HA SER 34 HA SER 34 4.180 -4.787 -8.730
204 HB3 SER 34 2HB SER 34 6.759 -5.736 -9.959
205 HG SER 34 HG SER 34 5.716 -6.609 -11.561