Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
550609 | 2lq0 RC | 18284 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLN 1 H GLN 1 1.807 0.000 0.855
2 HA GLN 1 HA GLN 1 3.110 0.275 -1.006
3 HB2 GLN 1 2HB GLN 1 1.112 -1.580 -2.296
4 HB3 GLN 1 3HB GLN 1 2.826 -1.425 -2.657
5 HG2 GLN 1 2HG GLN 1 1.676 -2.468 -0.078
6 HG3 GLN 1 3HG GLN 1 2.314 -3.456 -1.392
7 HE21 GLN 1 1HE2 GLN 1 4.564 -2.139 -2.104
8 HE22 GLN 1 2HE2 GLN 1 5.691 -2.119 -0.795
9 H ARG 2 H ARG 2 3.355 1.752 -2.567
10 HA ARG 2 HA ARG 2 1.089 3.310 -3.387
11 HB2 ARG 2 2HB ARG 2 3.876 3.541 -4.505
12 HB3 ARG 2 3HB ARG 2 2.648 4.793 -4.371
13 HG2 ARG 2 2HG ARG 2 3.119 5.221 -2.197
14 HG3 ARG 2 3HG ARG 2 3.578 3.552 -1.853
15 HD2 ARG 2 2HD ARG 2 5.626 4.571 -1.753
16 HD3 ARG 2 3HD ARG 2 5.582 4.114 -3.455
17 HE ARG 2 HE ARG 2 4.497 6.666 -3.250
18 HH11 ARG 2 1HH1 ARG 2 7.548 5.078 -2.713
19 HH12 ARG 2 2HH1 ARG 2 8.492 6.486 -3.070
20 HH21 ARG 2 1HH2 ARG 2 5.728 8.527 -3.722
21 HH22 ARG 2 2HH2 ARG 2 7.456 8.448 -3.643
22 H SER 3 H SER 3 3.322 1.061 -4.957
23 HA SER 3 HA SER 3 2.448 1.386 -7.591
24 HB2 SER 3 2HB SER 3 4.486 0.102 -6.792
25 HB3 SER 3 3HB SER 3 3.394 -1.228 -6.406
26 HG SER 3 HG SER 3 4.504 -0.953 -8.645
27 H ASN 4 H ASN 4 1.239 -0.682 -4.998
28 HA ASN 4 HA ASN 4 -0.742 -1.922 -6.688
29 HB2 ASN 4 2HB ASN 4 -0.357 -2.007 -3.687
30 HB3 ASN 4 3HB ASN 4 -1.510 -2.991 -4.585
31 HD21 ASN 4 1HD2 ASN 4 -0.395 -4.134 -6.531
32 HD22 ASN 4 2HD2 ASN 4 1.064 -4.970 -6.133
33 H PHE 5 H PHE 5 -0.506 0.923 -4.811
34 HA PHE 5 HA PHE 5 -3.215 1.268 -4.090
35 HB2 PHE 5 2HB PHE 5 -1.282 2.548 -3.136
36 HB3 PHE 5 3HB PHE 5 -1.190 3.441 -4.650
37 HD1 PHE 5 HD1 PHE 5 -4.123 2.385 -2.615
38 HD2 PHE 5 HD2 PHE 5 -1.834 5.607 -4.196
39 HE1 PHE 5 HE1 PHE 5 -5.793 3.983 -1.768
40 HE2 PHE 5 HE2 PHE 5 -3.499 7.209 -3.351
41 HZ PHE 5 HZ PHE 5 -5.481 6.398 -2.135
42 H HIS 6 H HIS 6 -1.368 2.150 -6.960
43 HA HIS 6 HA HIS 6 -3.243 3.784 -8.219
44 HB2 HIS 6 2HB HIS 6 -0.919 2.166 -9.086
45 HB3 HIS 6 3HB HIS 6 -2.075 2.593 -10.344
46 HD1 HIS 6 HD1 HIS 6 0.885 3.818 -8.804
47 HD2 HIS 6 HD2 HIS 6 -2.595 5.574 -10.243
48 HE1 HIS 6 HE1 HIS 6 1.455 6.240 -9.168
49 HA PRO 7 HA PRO 7 -4.983 -0.168 -10.397
50 HB2 PRO 7 2HB PRO 7 -4.235 -2.571 -9.378
51 HB3 PRO 7 3HB PRO 7 -3.335 -1.748 -10.658
52 HG2 PRO 7 2HG PRO 7 -2.783 -1.847 -7.718
53 HG3 PRO 7 3HG PRO 7 -1.651 -1.998 -9.074
54 HD2 PRO 7 2HD PRO 7 -1.954 0.302 -7.677
55 HD3 PRO 7 3HD PRO 7 -1.550 0.281 -9.406
56 H LEU 8 H LEU 8 -4.494 -0.074 -6.944
57 HA LEU 8 HA LEU 8 -6.892 -1.560 -6.335
58 HB2 LEU 8 2HB LEU 8 -5.079 -1.742 -4.799
59 HB3 LEU 8 3HB LEU 8 -4.958 0.010 -4.646
60 HG LEU 8 HG LEU 8 -7.498 -1.287 -3.806
61 HD11 LEU 8 1HD1 LEU 8 -5.871 -1.210 -1.528
62 HD12 LEU 8 2HD1 LEU 8 -4.940 -2.059 -2.761
63 HD13 LEU 8 3HD1 LEU 8 -6.549 -2.632 -2.322
64 HD21 LEU 8 3HD2 LEU 8 -6.966 0.486 -1.928
65 HD22 LEU 8 1HD2 LEU 8 -7.634 0.971 -3.487
66 HD23 LEU 8 2HD2 LEU 8 -5.906 1.146 -3.175
67 H ALA 9 H ALA 9 -6.021 1.728 -6.905
68 HA ALA 9 HA ALA 9 -8.023 3.074 -5.491
69 HB1 ALA 9 1HB ALA 9 -6.214 4.311 -6.431
70 HB2 ALA 9 2HB ALA 9 -6.626 3.783 -8.063
71 HB3 ALA 9 3HB ALA 9 -7.701 4.878 -7.194
72 H ALA 10 H ALA 10 -8.048 1.646 -8.730
73 HA ALA 10 HA ALA 10 -10.582 2.576 -9.520
74 HB1 ALA 10 1HB ALA 10 -9.138 1.733 -11.194
75 HB2 ALA 10 2HB ALA 10 -8.970 0.182 -10.370
76 HB3 ALA 10 3HB ALA 10 -10.506 0.622 -11.115
77 H SER 11 H SER 11 -9.583 -0.413 -7.891
78 HA SER 11 HA SER 11 -12.123 -1.629 -7.840
79 HB2 SER 11 2HB SER 11 -9.736 -1.973 -6.012
80 HB3 SER 11 3HB SER 11 -11.160 -3.013 -5.985
81 HG SER 11 HG SER 11 -9.503 -3.891 -7.285
82 H PHE 12 H PHE 12 -10.441 0.409 -5.472
83 HA PHE 12 HA PHE 12 -12.539 0.319 -3.548
84 HB2 PHE 12 2HB PHE 12 -10.070 1.982 -3.908
85 HB3 PHE 12 3HB PHE 12 -11.266 2.443 -2.701
86 HD1 PHE 12 HD2 PHE 12 -9.802 -0.812 -3.799
87 HD2 PHE 12 HD1 PHE 12 -10.588 1.874 -0.592
88 HE1 PHE 12 HE2 PHE 12 -8.819 -2.419 -2.217
89 HE2 PHE 12 HE1 PHE 12 -9.605 0.271 0.995
90 HZ PHE 12 HZ PHE 12 -8.720 -1.879 0.184
91 H ILE 13 H ILE 13 -11.882 2.266 -6.341
92 HA ILE 13 HA ILE 13 -13.655 4.408 -5.644
93 HB ILE 13 HB ILE 13 -12.167 3.638 -8.122
94 HG12 ILE 13 2HG1 ILE 13 -11.068 4.954 -6.336
95 HG13 ILE 13 3HG1 ILE 13 -11.188 5.852 -7.846
96 HG21 ILE 13 1HG2 ILE 13 -14.447 5.589 -7.951
97 HG22 ILE 13 2HG2 ILE 13 -13.203 5.689 -9.195
98 HG23 ILE 13 3HG2 ILE 13 -14.227 4.258 -9.086
99 HD11 ILE 13 3HD1 ILE 13 -11.934 6.734 -5.349
100 HD12 ILE 13 1HD1 ILE 13 -12.379 7.461 -6.893
101 HD13 ILE 13 2HD1 ILE 13 -13.464 6.309 -6.114
102 H VAL 14 H VAL 14 -13.865 1.507 -7.653
103 HA VAL 14 HA VAL 14 -16.472 2.061 -8.658
104 HB VAL 14 HB VAL 14 -15.015 -0.579 -8.462
105 HG11 VAL 14 1HG1 VAL 14 -16.634 -0.949 -10.521
106 HG12 VAL 14 2HG1 VAL 14 -17.149 -1.284 -8.867
107 HG13 VAL 14 3HG1 VAL 14 -17.617 0.226 -9.649
108 HG21 VAL 14 3HG2 VAL 14 -15.266 0.626 -11.091
109 HG22 VAL 14 1HG2 VAL 14 -14.365 1.646 -9.969
110 HG23 VAL 14 2HG2 VAL 14 -13.839 -0.010 -10.271
111 H ARG 15 H ARG 15 -15.277 0.782 -5.701
112 HA ARG 15 HA ARG 15 -17.696 -0.622 -4.997
113 HB2 ARG 15 2HB ARG 15 -16.408 -1.564 -3.432
114 HB3 ARG 15 3HB ARG 15 -15.057 -0.659 -4.102
115 HG2 ARG 15 2HG ARG 15 -15.490 1.161 -2.538
116 HG3 ARG 15 3HG ARG 15 -16.859 0.268 -1.874
117 HD2 ARG 15 2HD ARG 15 -14.038 -0.787 -1.909
118 HD3 ARG 15 3HD ARG 15 -14.725 0.111 -0.555
119 HE ARG 15 HE ARG 15 -16.289 -2.165 -1.361
120 HH11 ARG 15 1HH1 ARG 15 -13.655 -1.047 0.621
121 HH12 ARG 15 2HH1 ARG 15 -13.780 -2.353 1.753
122 HH21 ARG 15 1HH2 ARG 15 -16.464 -3.890 0.121
123 HH22 ARG 15 2HH2 ARG 15 -15.378 -3.970 1.467
124 H CYS 16 H CYS 16 -16.187 2.477 -4.245
125 HA CYS 16 HA CYS 16 -18.315 3.212 -2.422
126 HB2 CYS 16 2HB CYS 16 -15.976 4.818 -3.475
127 HB3 CYS 16 3HB CYS 16 -17.081 5.342 -2.211
128 HG CYS 16 HG CYS 16 -14.460 3.274 -2.031
129 H ALA 17 H ALA 17 -17.310 3.900 -5.713
130 HA ALA 17 HA ALA 17 -18.996 6.092 -6.215
131 HB1 ALA 17 1HB ALA 17 -18.618 5.647 -8.560
132 HB2 ALA 17 2HB ALA 17 -17.114 5.429 -7.664
133 HB3 ALA 17 3HB ALA 17 -18.039 4.022 -8.188
134 H PHE 18 H PHE 18 -19.527 2.612 -6.441
135 HA PHE 18 HA PHE 18 -22.104 2.831 -7.654
136 HB2 PHE 18 2HB PHE 18 -20.468 0.811 -7.632
137 HB3 PHE 18 3HB PHE 18 -21.199 0.442 -6.073
138 HD1 PHE 18 HD2 PHE 18 -22.123 1.167 -9.606
139 HD2 PHE 18 HD1 PHE 18 -23.098 -0.862 -5.994
140 HE1 PHE 18 HE2 PHE 18 -23.977 0.027 -10.752
141 HE2 PHE 18 HE1 PHE 18 -24.954 -2.007 -7.134
142 HZ PHE 18 HZ PHE 18 -25.396 -1.562 -9.516
143 H GLU 19 H GLU 19 -20.916 2.489 -4.354
144 HA GLU 19 HA GLU 19 -23.546 2.213 -3.224
145 HB2 GLU 19 2HB GLU 19 -21.855 1.163 -1.976
146 HB3 GLU 19 3HB GLU 19 -20.791 2.558 -2.076
147 HG2 GLU 19 2HG GLU 19 -21.756 3.598 -0.324
148 HG3 GLU 19 3HG GLU 19 -23.364 2.981 -0.701
149 H HIS 20 H HIS 20 -21.385 4.818 -3.981
150 HA HIS 20 HA HIS 20 -22.553 6.774 -2.275
151 HB2 HIS 20 2HB HIS 20 -20.273 6.976 -3.234
152 HB3 HIS 20 3HB HIS 20 -20.986 7.186 -4.831
153 HD1 HIS 20 HD1 HIS 20 -22.734 9.349 -4.910
154 HD2 HIS 20 HD2 HIS 20 -19.787 9.319 -1.983
155 HE1 HIS 20 HE1 HIS 20 -22.515 11.736 -4.152
156 H SER 21 H SER 21 -23.153 5.709 -5.571
157 HA SER 21 HA SER 21 -25.082 7.806 -6.067
158 HB2 SER 21 2HB SER 21 -24.481 5.342 -7.719
159 HB3 SER 21 3HB SER 21 -25.368 6.771 -8.248
160 HG SER 21 HG SER 21 -22.786 7.124 -7.241
161 H ARG 22 H ARG 22 -25.079 4.411 -5.184
162 HA ARG 22 HA ARG 22 -27.748 3.778 -5.651
163 HB2 ARG 22 2HB ARG 22 -25.710 2.340 -4.793
164 HB3 ARG 22 3HB ARG 22 -26.380 2.724 -3.212
165 HG2 ARG 22 2HG ARG 22 -28.551 1.785 -3.965
166 HG3 ARG 22 3HG ARG 22 -27.764 1.287 -5.464
167 HD2 ARG 22 2HD ARG 22 -27.866 -0.563 -3.886
168 HD3 ARG 22 3HD ARG 22 -26.195 -0.085 -4.183
169 HE ARG 22 HE ARG 22 -26.011 0.515 -1.980
170 HH11 ARG 22 1HH1 ARG 22 -29.377 0.142 -2.788
171 HH12 ARG 22 2HH1 ARG 22 -29.922 0.293 -1.150
172 HH21 ARG 22 1HH2 ARG 22 -26.716 0.716 0.180
173 HH22 ARG 22 2HH2 ARG 22 -28.407 0.620 0.537
174 H ARG 23 H ARG 23 -26.237 5.306 -2.840
175 HA ARG 23 HA ARG 23 -28.447 5.341 -1.139
176 HB2 ARG 23 2HB ARG 23 -26.479 5.951 -0.088
177 HB3 ARG 23 3HB ARG 23 -25.984 7.011 -1.401
178 HG2 ARG 23 2HG ARG 23 -27.195 8.780 -0.619
179 HG3 ARG 23 3HG ARG 23 -28.394 7.751 0.169
180 HD2 ARG 23 2HD ARG 23 -27.324 8.360 2.051
181 HD3 ARG 23 3HD ARG 23 -26.176 7.109 1.577
182 HE ARG 23 HE ARG 23 -25.318 9.401 0.329
183 HH11 ARG 23 1HH1 ARG 23 -25.914 8.399 3.610
184 HH12 ARG 23 2HH1 ARG 23 -24.706 9.441 4.286
185 HH21 ARG 23 1HH2 ARG 23 -23.724 10.777 1.207
186 HH22 ARG 23 2HH2 ARG 23 -23.461 10.794 2.918
187 H PHE 24 H PHE 24 -27.679 7.299 -3.907
188 HA PHE 24 HA PHE 24 -29.653 9.318 -3.311
189 HB2 PHE 24 2HB PHE 24 -27.506 9.722 -4.605
190 HB3 PHE 24 3HB PHE 24 -28.256 8.864 -5.947
191 HD1 PHE 24 HD1 PHE 24 -30.500 9.768 -6.803
192 HD2 PHE 24 HD2 PHE 24 -27.845 11.997 -4.334
193 HE1 PHE 24 HE1 PHE 24 -31.574 11.855 -7.539
194 HE2 PHE 24 HE2 PHE 24 -28.916 14.088 -5.065
195 HZ PHE 24 HZ PHE 24 -30.783 14.019 -6.669
196 H THR 25 H THR 25 -29.355 6.526 -5.447
197 HA THR 25 HA THR 25 -31.992 6.966 -6.577
198 HB THR 25 HB THR 25 -29.990 6.019 -7.866
199 HG1 THR 25 HG1 THR 25 -32.632 5.102 -7.855
200 HG21 THR 25 3HG2 THR 25 -29.659 4.281 -5.928
201 HG22 THR 25 1HG2 THR 25 -29.341 3.821 -7.600
202 HG23 THR 25 2HG2 THR 25 -30.858 3.355 -6.831
Start of MODEL 2
1 H1 GLN 1 H GLN 1 2.014 0.160 0.869
2 HA GLN 1 HA GLN 1 3.142 0.172 -1.121
3 HB2 GLN 1 2HB GLN 1 0.822 -1.595 -1.916
4 HB3 GLN 1 3HB GLN 1 2.393 -1.534 -2.705
5 HG2 GLN 1 2HG GLN 1 1.935 -2.367 0.151
6 HG3 GLN 1 3HG GLN 1 2.120 -3.473 -1.210
7 HE21 GLN 1 1HE2 GLN 1 4.154 -2.908 -2.567
8 HE22 GLN 1 2HE2 GLN 1 5.601 -2.687 -1.650
9 H ARG 2 H ARG 2 3.359 1.718 -2.588
10 HA ARG 2 HA ARG 2 1.103 3.279 -3.430
11 HB2 ARG 2 2HB ARG 2 3.891 3.474 -4.552
12 HB3 ARG 2 3HB ARG 2 2.672 4.736 -4.436
13 HG2 ARG 2 2HG ARG 2 3.148 5.193 -2.269
14 HG3 ARG 2 3HG ARG 2 3.594 3.526 -1.901
15 HD2 ARG 2 2HD ARG 2 5.651 4.526 -1.817
16 HD3 ARG 2 3HD ARG 2 5.600 4.052 -3.515
17 HE ARG 2 HE ARG 2 4.554 6.667 -3.143
18 HH11 ARG 2 1HH1 ARG 2 7.529 4.866 -3.304
19 HH12 ARG 2 2HH1 ARG 2 8.469 6.217 -3.845
20 HH21 ARG 2 1HH2 ARG 2 5.781 8.453 -3.855
21 HH22 ARG 2 2HH2 ARG 2 7.474 8.257 -4.157
22 H SER 3 H SER 3 3.319 0.991 -4.969
23 HA SER 3 HA SER 3 2.444 1.286 -7.606
24 HB2 SER 3 2HB SER 3 3.487 -1.217 -6.258
25 HB3 SER 3 3HB SER 3 3.416 -0.938 -7.997
26 HG SER 3 HG SER 3 4.703 1.092 -7.225
27 H ASN 4 H ASN 4 1.224 -0.738 -4.983
28 HA ASN 4 HA ASN 4 -0.767 -1.988 -6.653
29 HB2 ASN 4 2HB ASN 4 -0.380 -2.033 -3.652
30 HB3 ASN 4 3HB ASN 4 -1.540 -3.022 -4.535
31 HD21 ASN 4 1HD2 ASN 4 -0.898 -4.924 -5.289
32 HD22 ASN 4 2HD2 ASN 4 0.736 -5.482 -5.336
33 H PHE 5 H PHE 5 -0.510 0.882 -4.818
34 HA PHE 5 HA PHE 5 -3.216 1.255 -4.099
35 HB2 PHE 5 2HB PHE 5 -1.273 2.535 -3.165
36 HB3 PHE 5 3HB PHE 5 -1.176 3.406 -4.692
37 HD1 PHE 5 HD2 PHE 5 -4.042 2.415 -2.520
38 HD2 PHE 5 HD1 PHE 5 -1.878 5.568 -4.389
39 HE1 PHE 5 HE2 PHE 5 -5.699 4.037 -1.695
40 HE2 PHE 5 HE1 PHE 5 -3.530 7.195 -3.566
41 HZ PHE 5 HZ PHE 5 -5.444 6.430 -2.218
42 H HIS 6 H HIS 6 -1.366 2.083 -6.984
43 HA HIS 6 HA HIS 6 -3.231 3.712 -8.264
44 HB2 HIS 6 2HB HIS 6 -0.919 2.066 -9.109
45 HB3 HIS 6 3HB HIS 6 -2.074 2.482 -10.373
46 HD1 HIS 6 HD1 HIS 6 0.963 3.649 -9.152
47 HD2 HIS 6 HD2 HIS 6 -2.640 5.529 -10.015
48 HE1 HIS 6 HE1 HIS 6 1.532 6.078 -9.476
49 HA PRO 7 HA PRO 7 -5.000 -0.259 -10.383
50 HB2 PRO 7 2HB PRO 7 -4.268 -2.652 -9.331
51 HB3 PRO 7 3HB PRO 7 -3.364 -1.854 -10.623
52 HG2 PRO 7 2HG PRO 7 -2.809 -1.915 -7.682
53 HG3 PRO 7 3HG PRO 7 -1.679 -2.092 -9.037
54 HD2 PRO 7 2HD PRO 7 -1.965 0.229 -7.673
55 HD3 PRO 7 3HD PRO 7 -1.563 0.181 -9.402
56 H LEU 8 H LEU 8 -4.507 -0.119 -6.932
57 HA LEU 8 HA LEU 8 -6.914 -1.580 -6.299
58 HB2 LEU 8 2HB LEU 8 -5.100 -1.752 -4.763
59 HB3 LEU 8 3HB LEU 8 -4.967 0.001 -4.635
60 HG LEU 8 HG LEU 8 -7.515 -1.267 -3.774
61 HD11 LEU 8 1HD1 LEU 8 -4.969 -2.055 -2.728
62 HD12 LEU 8 2HD1 LEU 8 -6.583 -2.586 -2.258
63 HD13 LEU 8 3HD1 LEU 8 -5.870 -1.162 -1.503
64 HD21 LEU 8 3HD2 LEU 8 -6.969 0.530 -1.922
65 HD22 LEU 8 1HD2 LEU 8 -7.636 0.997 -3.486
66 HD23 LEU 8 2HD2 LEU 8 -5.907 1.164 -3.180
67 H ALA 9 H ALA 9 -6.021 1.694 -6.918
68 HA ALA 9 HA ALA 9 -8.013 3.074 -5.521
69 HB1 ALA 9 1HB ALA 9 -6.614 3.735 -8.105
70 HB2 ALA 9 2HB ALA 9 -7.680 4.850 -7.250
71 HB3 ALA 9 3HB ALA 9 -6.197 4.285 -6.482
72 H ALA 10 H ALA 10 -8.051 1.599 -8.739
73 HA ALA 10 HA ALA 10 -10.579 2.535 -9.539
74 HB1 ALA 10 1HB ALA 10 -10.520 0.556 -11.105
75 HB2 ALA 10 2HB ALA 10 -9.145 1.657 -11.204
76 HB3 ALA 10 3HB ALA 10 -8.984 0.119 -10.356
77 H SER 11 H SER 11 -9.600 -0.437 -7.869
78 HA SER 11 HA SER 11 -12.147 -1.634 -7.797
79 HB2 SER 11 2HB SER 11 -9.762 -1.969 -5.966
80 HB3 SER 11 3HB SER 11 -11.192 -2.999 -5.925
81 HG SER 11 HG SER 11 -10.675 -3.825 -7.866
82 H PHE 12 H PHE 12 -10.449 0.425 -5.461
83 HA PHE 12 HA PHE 12 -12.544 0.377 -3.534
84 HB2 PHE 12 2HB PHE 12 -10.064 2.018 -3.920
85 HB3 PHE 12 3HB PHE 12 -11.256 2.505 -2.719
86 HD1 PHE 12 HD2 PHE 12 -9.816 -0.776 -3.772
87 HD2 PHE 12 HD1 PHE 12 -10.579 1.962 -0.603
88 HE1 PHE 12 HE2 PHE 12 -8.843 -2.367 -2.168
89 HE2 PHE 12 HE1 PHE 12 -9.605 0.375 1.007
90 HZ PHE 12 HZ PHE 12 -8.737 -1.793 0.225
91 H ILE 13 H ILE 13 -11.878 2.279 -6.355
92 HA ILE 13 HA ILE 13 -13.635 4.444 -5.687
93 HB ILE 13 HB ILE 13 -12.156 3.628 -8.155
94 HG12 ILE 13 2HG1 ILE 13 -11.046 4.962 -6.390
95 HG13 ILE 13 3HG1 ILE 13 -11.161 5.838 -7.912
96 HG21 ILE 13 1HG2 ILE 13 -14.422 5.596 -8.010
97 HG22 ILE 13 2HG2 ILE 13 -13.179 5.670 -9.257
98 HG23 ILE 13 3HG2 ILE 13 -14.213 4.247 -9.126
99 HD11 ILE 13 3HD1 ILE 13 -12.344 7.469 -6.985
100 HD12 ILE 13 1HD1 ILE 13 -13.433 6.336 -6.185
101 HD13 ILE 13 2HD1 ILE 13 -11.897 6.766 -5.431
102 H VAL 14 H VAL 14 -13.869 1.516 -7.654
103 HA VAL 14 HA VAL 14 -16.472 2.074 -8.663
104 HB VAL 14 HB VAL 14 -15.034 -0.574 -8.430
105 HG11 VAL 14 1HG1 VAL 14 -16.621 -1.096 -10.398
106 HG12 VAL 14 2HG1 VAL 14 -17.263 -1.151 -8.755
107 HG13 VAL 14 3HG1 VAL 14 -17.578 0.250 -9.780
108 HG21 VAL 14 3HG2 VAL 14 -13.820 0.007 -10.202
109 HG22 VAL 14 1HG2 VAL 14 -15.256 0.524 -11.085
110 HG23 VAL 14 2HG2 VAL 14 -14.431 1.650 -10.008
111 H ARG 15 H ARG 15 -15.283 0.829 -5.690
112 HA ARG 15 HA ARG 15 -17.711 -0.547 -4.962
113 HB2 ARG 15 2HB ARG 15 -16.427 -1.476 -3.385
114 HB3 ARG 15 3HB ARG 15 -15.071 -0.590 -4.070
115 HG2 ARG 15 2HG ARG 15 -15.488 1.256 -2.533
116 HG3 ARG 15 3HG ARG 15 -16.863 0.382 -1.854
117 HD2 ARG 15 2HD ARG 15 -14.110 -0.811 -1.905
118 HD3 ARG 15 3HD ARG 15 -14.622 0.268 -0.608
119 HE ARG 15 HE ARG 15 -16.467 -1.870 -1.053
120 HH11 ARG 15 1HH1 ARG 15 -13.476 -0.997 0.500
121 HH12 ARG 15 2HH1 ARG 15 -13.604 -2.217 1.724
122 HH21 ARG 15 1HH2 ARG 15 -16.647 -3.480 0.553
123 HH22 ARG 15 2HH2 ARG 15 -15.408 -3.630 1.753
124 H CYS 16 H CYS 16 -16.179 2.551 -4.257
125 HA CYS 16 HA CYS 16 -18.299 3.328 -2.442
126 HB2 CYS 16 2HB CYS 16 -15.950 4.902 -3.522
127 HB3 CYS 16 3HB CYS 16 -17.050 5.452 -2.263
128 HG CYS 16 HG CYS 16 -14.399 4.496 -1.402
129 H ALA 17 H ALA 17 -17.293 3.961 -5.744
130 HA ALA 17 HA ALA 17 -18.965 6.157 -6.276
131 HB1 ALA 17 1HB ALA 17 -18.593 5.675 -8.615
132 HB2 ALA 17 2HB ALA 17 -17.090 5.460 -7.717
133 HB3 ALA 17 3HB ALA 17 -18.026 4.052 -8.220
134 H PHE 18 H PHE 18 -19.520 2.679 -6.451
135 HA PHE 18 HA PHE 18 -22.098 2.897 -7.663
136 HB2 PHE 18 2HB PHE 18 -20.476 0.867 -7.614
137 HB3 PHE 18 3HB PHE 18 -21.207 0.525 -6.049
138 HD1 PHE 18 HD1 PHE 18 -23.852 0.548 -6.063
139 HD2 PHE 18 HD2 PHE 18 -21.394 -0.106 -9.476
140 HE1 PHE 18 HE1 PHE 18 -25.719 -0.598 -7.184
141 HE2 PHE 18 HE2 PHE 18 -23.257 -1.251 -10.602
142 HZ PHE 18 HZ PHE 18 -25.423 -1.498 -9.457
143 H GLU 19 H GLU 19 -20.908 2.596 -4.360
144 HA GLU 19 HA GLU 19 -23.538 2.354 -3.223
145 HB2 GLU 19 2HB GLU 19 -21.853 1.311 -1.962
146 HB3 GLU 19 3HB GLU 19 -20.779 2.697 -2.084
147 HG2 GLU 19 2HG GLU 19 -21.734 3.769 -0.346
148 HG3 GLU 19 3HG GLU 19 -23.347 3.159 -0.712
149 H HIS 20 H HIS 20 -21.360 4.933 -4.021
150 HA HIS 20 HA HIS 20 -22.512 6.921 -2.342
151 HB2 HIS 20 2HB HIS 20 -20.231 7.093 -3.308
152 HB3 HIS 20 3HB HIS 20 -20.946 7.287 -4.906
153 HD1 HIS 20 HD1 HIS 20 -21.546 9.610 -5.593
154 HD2 HIS 20 HD2 HIS 20 -20.864 9.298 -1.507
155 HE1 HIS 20 HE1 HIS 20 -21.596 11.969 -4.721
156 H SER 21 H SER 21 -23.124 5.813 -5.621
157 HA SER 21 HA SER 21 -25.038 7.916 -6.146
158 HB2 SER 21 2HB SER 21 -24.456 5.424 -7.762
159 HB3 SER 21 3HB SER 21 -25.334 6.852 -8.311
160 HG SER 21 HG SER 21 -22.826 6.465 -8.612
161 H ARG 22 H ARG 22 -25.058 4.535 -5.214
162 HA ARG 22 HA ARG 22 -27.732 3.913 -5.668
163 HB2 ARG 22 2HB ARG 22 -25.704 2.473 -4.791
164 HB3 ARG 22 3HB ARG 22 -26.367 2.886 -3.216
165 HG2 ARG 22 2HG ARG 22 -28.548 1.954 -3.953
166 HG3 ARG 22 3HG ARG 22 -27.764 1.422 -5.443
167 HD2 ARG 22 2HD ARG 22 -27.862 -0.409 -3.866
168 HD3 ARG 22 3HD ARG 22 -26.187 0.085 -4.107
169 HE ARG 22 HE ARG 22 -27.467 1.328 -1.847
170 HH11 ARG 22 1HH1 ARG 22 -25.665 -1.429 -2.976
171 HH12 ARG 22 2HH1 ARG 22 -25.048 -1.832 -1.408
172 HH21 ARG 22 1HH2 ARG 22 -26.662 0.807 0.222
173 HH22 ARG 22 2HH2 ARG 22 -25.617 -0.560 0.411
174 H ARG 23 H ARG 23 -26.206 5.471 -2.881
175 HA ARG 23 HA ARG 23 -28.414 5.547 -1.179
176 HB2 ARG 23 2HB ARG 23 -26.440 6.158 -0.139
177 HB3 ARG 23 3HB ARG 23 -25.940 7.197 -1.467
178 HG2 ARG 23 2HG ARG 23 -27.138 8.984 -0.709
179 HG3 ARG 23 3HG ARG 23 -28.342 7.975 0.095
180 HD2 ARG 23 2HD ARG 23 -25.850 7.477 1.337
181 HD3 ARG 23 3HD ARG 23 -26.026 9.225 1.194
182 HE ARG 23 HE ARG 23 -28.357 7.887 2.227
183 HH11 ARG 23 1HH1 ARG 23 -25.305 9.369 3.008
184 HH12 ARG 23 2HH1 ARG 23 -25.748 9.722 4.646
185 HH21 ARG 23 1HH2 ARG 23 -28.951 8.346 4.381
186 HH22 ARG 23 2HH2 ARG 23 -27.821 9.138 5.426
187 H PHE 24 H PHE 24 -27.636 7.458 -3.976
188 HA PHE 24 HA PHE 24 -29.595 9.501 -3.407
189 HB2 PHE 24 2HB PHE 24 -27.448 9.870 -4.710
190 HB3 PHE 24 3HB PHE 24 -28.204 8.997 -6.038
191 HD1 PHE 24 HD1 PHE 24 -30.071 9.961 -7.259
192 HD2 PHE 24 HD2 PHE 24 -28.142 12.092 -4.120
193 HE1 PHE 24 HE1 PHE 24 -31.132 12.045 -8.027
194 HE2 PHE 24 HE2 PHE 24 -29.200 14.179 -4.882
195 HZ PHE 24 HZ PHE 24 -30.698 14.157 -6.837
196 H THR 25 H THR 25 -29.321 6.675 -5.501
197 HA THR 25 HA THR 25 -31.956 7.117 -6.633
198 HB THR 25 HB THR 25 -29.963 6.136 -7.911
199 HG1 THR 25 HG1 THR 25 -31.529 4.473 -8.854
200 HG21 THR 25 3HG2 THR 25 -29.334 3.936 -7.616
201 HG22 THR 25 1HG2 THR 25 -30.850 3.495 -6.833
202 HG23 THR 25 2HG2 THR 25 -29.640 4.425 -5.950
Start of MODEL 3
1 H1 GLN 1 H GLN 1 1.404 -0.985 0.592
2 HA GLN 1 HA GLN 1 3.011 0.295 -0.749
3 HB2 GLN 1 2HB GLN 1 1.890 -2.216 -1.501
4 HB3 GLN 1 3HB GLN 1 2.228 -1.307 -2.968
5 HG2 GLN 1 2HG GLN 1 4.538 -0.886 -1.902
6 HG3 GLN 1 3HG GLN 1 4.119 -2.236 -0.849
7 HE21 GLN 1 1HE2 GLN 1 5.515 -1.358 -3.733
8 HE22 GLN 1 2HE2 GLN 1 5.522 -2.899 -4.513
9 H ARG 2 H ARG 2 3.400 1.614 -2.539
10 HA ARG 2 HA ARG 2 1.151 3.188 -3.373
11 HB2 ARG 2 2HB ARG 2 3.940 3.379 -4.493
12 HB3 ARG 2 3HB ARG 2 2.726 4.645 -4.371
13 HG2 ARG 2 2HG ARG 2 3.202 5.088 -2.201
14 HG3 ARG 2 3HG ARG 2 3.642 3.417 -1.841
15 HD2 ARG 2 2HD ARG 2 5.702 4.413 -1.751
16 HD3 ARG 2 3HD ARG 2 5.652 3.943 -3.450
17 HE ARG 2 HE ARG 2 4.620 6.567 -3.046
18 HH11 ARG 2 1HH1 ARG 2 7.567 4.732 -3.309
19 HH12 ARG 2 2HH1 ARG 2 8.506 6.076 -3.869
20 HH21 ARG 2 1HH2 ARG 2 5.846 8.343 -3.783
21 HH22 ARG 2 2HH2 ARG 2 7.527 8.129 -4.138
22 H SER 3 H SER 3 3.359 0.900 -4.922
23 HA SER 3 HA SER 3 2.487 1.211 -7.559
24 HB2 SER 3 2HB SER 3 3.520 -1.302 -6.222
25 HB3 SER 3 3HB SER 3 3.451 -1.014 -7.960
26 HG SER 3 HG SER 3 4.890 0.753 -7.622
27 H ASN 4 H ASN 4 1.258 -0.821 -4.947
28 HA ASN 4 HA ASN 4 -0.736 -2.055 -6.625
29 HB2 ASN 4 2HB ASN 4 -0.353 -2.117 -3.623
30 HB3 ASN 4 3HB ASN 4 -1.515 -3.097 -4.512
31 HD21 ASN 4 1HD2 ASN 4 -0.193 -4.737 -3.277
32 HD22 ASN 4 2HD2 ASN 4 1.174 -5.401 -4.099
33 H PHE 5 H PHE 5 -0.470 0.805 -4.774
34 HA PHE 5 HA PHE 5 -3.175 1.184 -4.056
35 HB2 PHE 5 2HB PHE 5 -1.228 2.453 -3.114
36 HB3 PHE 5 3HB PHE 5 -1.126 3.330 -4.637
37 HD1 PHE 5 HD1 PHE 5 -3.207 2.727 -1.659
38 HD2 PHE 5 HD2 PHE 5 -2.612 5.107 -5.137
39 HE1 PHE 5 HE1 PHE 5 -4.858 4.350 -0.826
40 HE2 PHE 5 HE2 PHE 5 -4.260 6.735 -4.310
41 HZ PHE 5 HZ PHE 5 -5.385 6.358 -2.151
42 H HIS 6 H HIS 6 -1.320 2.020 -6.935
43 HA HIS 6 HA HIS 6 -3.179 3.662 -8.209
44 HB2 HIS 6 2HB HIS 6 -0.872 2.012 -9.061
45 HB3 HIS 6 3HB HIS 6 -2.024 2.438 -10.323
46 HD1 HIS 6 HD1 HIS 6 0.681 3.827 -8.229
47 HD2 HIS 6 HD2 HIS 6 -2.242 5.245 -10.819
48 HE1 HIS 6 HE1 HIS 6 1.345 6.193 -8.760
49 HA PRO 7 HA PRO 7 -4.960 -0.292 -10.349
50 HB2 PRO 7 2HB PRO 7 -4.238 -2.693 -9.308
51 HB3 PRO 7 3HB PRO 7 -3.330 -1.892 -10.596
52 HG2 PRO 7 2HG PRO 7 -2.777 -1.969 -7.654
53 HG3 PRO 7 3HG PRO 7 -1.647 -2.144 -9.010
54 HD2 PRO 7 2HD PRO 7 -1.925 0.172 -7.634
55 HD3 PRO 7 3HD PRO 7 -1.522 0.130 -9.363
56 H LEU 8 H LEU 8 -4.469 -0.171 -6.897
57 HA LEU 8 HA LEU 8 -6.882 -1.625 -6.273
58 HB2 LEU 8 2HB LEU 8 -5.071 -1.812 -4.736
59 HB3 LEU 8 3HB LEU 8 -4.931 -0.060 -4.600
60 HG LEU 8 HG LEU 8 -7.484 -1.322 -3.747
61 HD11 LEU 8 1HD1 LEU 8 -4.933 -2.108 -2.693
62 HD12 LEU 8 2HD1 LEU 8 -6.547 -2.664 -2.252
63 HD13 LEU 8 3HD1 LEU 8 -5.860 -1.242 -1.468
64 HD21 LEU 8 3HD2 LEU 8 -5.865 1.098 -3.135
65 HD22 LEU 8 1HD2 LEU 8 -6.935 0.462 -1.886
66 HD23 LEU 8 2HD2 LEU 8 -7.594 0.942 -3.449
67 H ALA 9 H ALA 9 -5.977 1.648 -6.874
68 HA ALA 9 HA ALA 9 -7.964 3.028 -5.473
69 HB1 ALA 9 1HB ALA 9 -6.142 4.236 -6.426
70 HB2 ALA 9 2HB ALA 9 -6.562 3.698 -8.053
71 HB3 ALA 9 3HB ALA 9 -7.623 4.812 -7.191
72 H ALA 10 H ALA 10 -8.006 1.570 -8.698
73 HA ALA 10 HA ALA 10 -10.530 2.518 -9.495
74 HB1 ALA 10 1HB ALA 10 -10.477 0.548 -11.070
75 HB2 ALA 10 2HB ALA 10 -9.097 1.643 -11.162
76 HB3 ALA 10 3HB ALA 10 -8.944 0.100 -10.323
77 H SER 11 H SER 11 -9.563 -0.465 -7.839
78 HA SER 11 HA SER 11 -12.114 -1.653 -7.774
79 HB2 SER 11 2HB SER 11 -9.731 -2.006 -5.943
80 HB3 SER 11 3HB SER 11 -11.166 -3.030 -5.907
81 HG SER 11 HG SER 11 -10.620 -3.899 -7.798
82 H PHE 12 H PHE 12 -10.410 0.389 -5.426
83 HA PHE 12 HA PHE 12 -12.507 0.339 -3.501
84 HB2 PHE 12 2HB PHE 12 -10.020 1.972 -3.878
85 HB3 PHE 12 3HB PHE 12 -11.211 2.458 -2.676
86 HD1 PHE 12 HD1 PHE 12 -9.782 -0.822 -3.743
87 HD2 PHE 12 HD2 PHE 12 -10.540 1.901 -0.560
88 HE1 PHE 12 HE1 PHE 12 -8.816 -2.425 -2.146
89 HE2 PHE 12 HE2 PHE 12 -9.574 0.303 1.042
90 HZ PHE 12 HZ PHE 12 -8.710 -1.863 0.250
91 H ILE 13 H ILE 13 -11.832 2.252 -6.313
92 HA ILE 13 HA ILE 13 -13.581 4.420 -5.634
93 HB ILE 13 HB ILE 13 -12.104 3.611 -8.106
94 HG12 ILE 13 2HG1 ILE 13 -10.990 4.932 -6.334
95 HG13 ILE 13 3HG1 ILE 13 -11.101 5.816 -7.852
96 HG21 ILE 13 1HG2 ILE 13 -14.363 5.587 -7.952
97 HG22 ILE 13 2HG2 ILE 13 -13.118 5.662 -9.198
98 HG23 ILE 13 3HG2 ILE 13 -14.158 4.242 -9.075
99 HD11 ILE 13 3HD1 ILE 13 -12.279 7.446 -6.918
100 HD12 ILE 13 1HD1 ILE 13 -13.371 6.314 -6.123
101 HD13 ILE 13 2HD1 ILE 13 -11.834 6.735 -5.367
102 H VAL 14 H VAL 14 -13.824 1.503 -7.616
103 HA VAL 14 HA VAL 14 -16.426 2.075 -8.624
104 HB VAL 14 HB VAL 14 -14.997 -0.579 -8.403
105 HG11 VAL 14 1HG1 VAL 14 -17.162 -1.235 -8.779
106 HG12 VAL 14 2HG1 VAL 14 -17.578 0.249 -9.639
107 HG13 VAL 14 3HG1 VAL 14 -16.609 -0.991 -10.436
108 HG21 VAL 14 3HG2 VAL 14 -13.830 -0.054 -10.234
109 HG22 VAL 14 1HG2 VAL 14 -15.245 0.627 -11.038
110 HG23 VAL 14 2HG2 VAL 14 -14.304 1.616 -9.922
111 H ARG 15 H ARG 15 -15.242 0.811 -5.656
112 HA ARG 15 HA ARG 15 -17.676 -0.559 -4.936
113 HB2 ARG 15 2HB ARG 15 -16.396 -1.500 -3.364
114 HB3 ARG 15 3HB ARG 15 -15.037 -0.616 -4.043
115 HG2 ARG 15 2HG ARG 15 -15.448 1.224 -2.497
116 HG3 ARG 15 3HG ARG 15 -16.826 0.351 -1.823
117 HD2 ARG 15 2HD ARG 15 -14.162 -0.984 -1.897
118 HD3 ARG 15 3HD ARG 15 -14.464 0.251 -0.675
119 HE ARG 15 HE ARG 15 -15.462 -2.407 -0.685
120 HH11 ARG 15 1HH1 ARG 15 -16.298 0.859 0.183
121 HH12 ARG 15 2HH1 ARG 15 -17.403 0.384 1.430
122 HH21 ARG 15 1HH2 ARG 15 -16.914 -3.046 0.953
123 HH22 ARG 15 2HH2 ARG 15 -17.752 -1.838 1.868
124 H CYS 16 H CYS 16 -16.133 2.530 -4.216
125 HA CYS 16 HA CYS 16 -18.251 3.306 -2.398
126 HB2 CYS 16 2HB CYS 16 -15.896 4.876 -3.469
127 HB3 CYS 16 3HB CYS 16 -16.994 5.425 -2.208
128 HG CYS 16 HG CYS 16 -14.352 3.419 -1.992
129 H ALA 17 H ALA 17 -17.241 3.951 -5.696
130 HA ALA 17 HA ALA 17 -18.905 6.155 -6.218
131 HB1 ALA 17 1HB ALA 17 -17.031 5.459 -7.661
132 HB2 ALA 17 2HB ALA 17 -17.971 4.057 -8.172
133 HB3 ALA 17 3HB ALA 17 -18.532 5.683 -8.559
134 H PHE 18 H PHE 18 -19.472 2.680 -6.410
135 HA PHE 18 HA PHE 18 -22.048 2.914 -7.623
136 HB2 PHE 18 2HB PHE 18 -20.434 0.877 -7.583
137 HB3 PHE 18 3HB PHE 18 -21.167 0.531 -6.020
138 HD1 PHE 18 HD2 PHE 18 -23.750 0.394 -5.970
139 HD2 PHE 18 HD1 PHE 18 -21.417 0.088 -9.516
140 HE1 PHE 18 HE2 PHE 18 -25.620 -0.740 -7.098
141 HE2 PHE 18 HE1 PHE 18 -23.283 -1.046 -10.651
142 HZ PHE 18 HZ PHE 18 -25.388 -1.462 -9.441
143 H GLU 19 H GLU 19 -20.862 2.592 -4.321
144 HA GLU 19 HA GLU 19 -23.493 2.355 -3.187
145 HB2 GLU 19 2HB GLU 19 -21.812 1.299 -1.930
146 HB3 GLU 19 3HB GLU 19 -20.734 2.683 -2.044
147 HG2 GLU 19 2HG GLU 19 -21.687 3.747 -0.300
148 HG3 GLU 19 3HG GLU 19 -23.301 3.146 -0.672
149 H HIS 20 H HIS 20 -21.305 4.929 -3.971
150 HA HIS 20 HA HIS 20 -22.450 6.914 -2.283
151 HB2 HIS 20 2HB HIS 20 -20.169 7.082 -3.247
152 HB3 HIS 20 3HB HIS 20 -20.882 7.285 -4.844
153 HD1 HIS 20 HD1 HIS 20 -22.548 9.477 -4.999
154 HD2 HIS 20 HD2 HIS 20 -19.715 9.419 -1.960
155 HE1 HIS 20 HE1 HIS 20 -22.317 11.867 -4.249
156 H SER 21 H SER 21 -23.065 5.824 -5.568
157 HA SER 21 HA SER 21 -24.972 7.937 -6.082
158 HB2 SER 21 2HB SER 21 -24.399 5.450 -7.711
159 HB3 SER 21 3HB SER 21 -25.270 6.884 -8.253
160 HG SER 21 HG SER 21 -22.579 6.924 -7.362
161 H ARG 22 H ARG 22 -25.005 4.550 -5.167
162 HA ARG 22 HA ARG 22 -27.680 3.940 -5.626
163 HB2 ARG 22 2HB ARG 22 -25.657 2.490 -4.754
164 HB3 ARG 22 3HB ARG 22 -26.320 2.897 -3.178
165 HG2 ARG 22 2HG ARG 22 -28.503 1.974 -3.920
166 HG3 ARG 22 3HG ARG 22 -27.721 1.451 -5.413
167 HD2 ARG 22 2HD ARG 22 -27.881 -0.353 -3.739
168 HD3 ARG 22 3HD ARG 22 -26.215 0.028 -4.172
169 HE ARG 22 HE ARG 22 -27.156 1.424 -1.841
170 HH11 ARG 22 1HH1 ARG 22 -25.703 -1.505 -3.037
171 HH12 ARG 22 2HH1 ARG 22 -24.959 -1.908 -1.526
172 HH21 ARG 22 1HH2 ARG 22 -26.181 0.904 0.155
173 HH22 ARG 22 2HH2 ARG 22 -25.232 -0.537 0.290
174 H ARG 23 H ARG 23 -26.150 5.480 -2.831
175 HA ARG 23 HA ARG 23 -28.358 5.555 -1.129
176 HB2 ARG 23 2HB ARG 23 -26.386 6.158 -0.084
177 HB3 ARG 23 3HB ARG 23 -25.878 7.195 -1.409
178 HG2 ARG 23 2HG ARG 23 -27.068 8.988 -0.651
179 HG3 ARG 23 3HG ARG 23 -28.279 7.984 0.150
180 HD2 ARG 23 2HD ARG 23 -25.530 7.799 1.207
181 HD3 ARG 23 3HD ARG 23 -26.353 9.338 1.457
182 HE ARG 23 HE ARG 23 -26.877 6.890 2.802
183 HH11 ARG 23 1HH1 ARG 23 -28.404 9.767 1.575
184 HH12 ARG 23 2HH1 ARG 23 -29.714 9.713 2.708
185 HH21 ARG 23 1HH2 ARG 23 -28.596 6.808 4.300
186 HH22 ARG 23 2HH2 ARG 23 -29.821 8.030 4.259
187 H PHE 24 H PHE 24 -27.570 7.482 -3.915
188 HA PHE 24 HA PHE 24 -29.530 9.522 -3.337
189 HB2 PHE 24 2HB PHE 24 -27.376 9.900 -4.627
190 HB3 PHE 24 3HB PHE 24 -28.127 9.038 -5.966
191 HD1 PHE 24 HD1 PHE 24 -30.416 9.948 -6.771
192 HD2 PHE 24 HD2 PHE 24 -27.645 12.184 -4.439
193 HE1 PHE 24 HE1 PHE 24 -31.473 12.038 -7.526
194 HE2 PHE 24 HE2 PHE 24 -28.698 14.277 -5.188
195 HZ PHE 24 HZ PHE 24 -30.615 14.207 -6.733
196 H THR 25 H THR 25 -29.247 6.713 -5.452
197 HA THR 25 HA THR 25 -31.874 7.165 -6.598
198 HB THR 25 HB THR 25 -29.880 6.186 -7.870
199 HG1 THR 25 HG1 THR 25 -32.523 5.257 -7.848
200 HG21 THR 25 3HG2 THR 25 -29.072 4.143 -7.393
201 HG22 THR 25 1HG2 THR 25 -30.674 3.480 -7.076
202 HG23 THR 25 2HG2 THR 25 -29.826 4.378 -5.817
Start of MODEL 4
1 H1 GLN 1 H GLN 1 1.893 0.309 0.798
2 HA GLN 1 HA GLN 1 3.133 0.378 -1.116
3 HB2 GLN 1 2HB GLN 1 1.385 -1.891 -1.215
4 HB3 GLN 1 3HB GLN 1 1.620 -1.275 -2.846
5 HG2 GLN 1 2HG GLN 1 3.906 -1.832 -0.983
6 HG3 GLN 1 3HG GLN 1 3.228 -3.054 -2.057
7 HE21 GLN 1 1HE2 GLN 1 4.060 -3.205 -4.015
8 HE22 GLN 1 2HE2 GLN 1 5.021 -2.005 -4.803
9 H ARG 2 H ARG 2 3.354 1.814 -2.709
10 HA ARG 2 HA ARG 2 1.085 3.346 -3.566
11 HB2 ARG 2 2HB ARG 2 3.859 3.515 -4.727
12 HB3 ARG 2 3HB ARG 2 2.639 4.778 -4.631
13 HG2 ARG 2 2HG ARG 2 3.140 5.296 -2.484
14 HG3 ARG 2 3HG ARG 2 3.593 3.640 -2.074
15 HD2 ARG 2 2HD ARG 2 5.636 3.986 -3.530
16 HD3 ARG 2 3HD ARG 2 5.212 5.698 -3.555
17 HE ARG 2 HE ARG 2 5.367 4.628 -0.904
18 HH11 ARG 2 1HH1 ARG 2 7.220 5.934 -3.547
19 HH12 ARG 2 2HH1 ARG 2 8.518 6.480 -2.538
20 HH21 ARG 2 1HH2 ARG 2 7.070 5.343 0.435
21 HH22 ARG 2 2HH2 ARG 2 8.433 6.142 -0.273
22 H SER 3 H SER 3 3.287 1.021 -5.069
23 HA SER 3 HA SER 3 2.379 1.242 -7.702
24 HB2 SER 3 2HB SER 3 3.444 -1.222 -6.299
25 HB3 SER 3 3HB SER 3 3.351 -0.989 -8.045
26 HG SER 3 HG SER 3 4.643 1.063 -7.342
27 H ASN 4 H ASN 4 1.196 -0.712 -5.010
28 HA ASN 4 HA ASN 4 -0.812 -2.011 -6.621
29 HB2 ASN 4 2HB ASN 4 -0.389 -1.974 -3.625
30 HB3 ASN 4 3HB ASN 4 -1.557 -2.988 -4.466
31 HD21 ASN 4 1HD2 ASN 4 -0.408 -4.138 -6.442
32 HD22 ASN 4 2HD2 ASN 4 1.028 -4.993 -6.004
33 H PHE 5 H PHE 5 -0.539 0.909 -4.867
34 HA PHE 5 HA PHE 5 -3.237 1.296 -4.125
35 HB2 PHE 5 2HB PHE 5 -1.286 2.605 -3.250
36 HB3 PHE 5 3HB PHE 5 -1.209 3.433 -4.801
37 HD1 PHE 5 HD1 PHE 5 -3.240 2.919 -1.774
38 HD2 PHE 5 HD2 PHE 5 -2.719 5.179 -5.343
39 HE1 PHE 5 HE1 PHE 5 -4.889 4.560 -0.972
40 HE2 PHE 5 HE2 PHE 5 -4.366 6.824 -4.546
41 HZ PHE 5 HZ PHE 5 -5.453 6.516 -2.358
42 H HIS 6 H HIS 6 -1.425 2.050 -7.054
43 HA HIS 6 HA HIS 6 -3.310 3.639 -8.354
44 HB2 HIS 6 2HB HIS 6 -1.005 1.975 -9.184
45 HB3 HIS 6 3HB HIS 6 -2.175 2.355 -10.443
46 HD1 HIS 6 HD1 HIS 6 -0.615 4.466 -7.677
47 HD2 HIS 6 HD2 HIS 6 -1.248 4.500 -11.783
48 HE1 HIS 6 HE1 HIS 6 0.324 6.655 -8.483
49 HA PRO 7 HA PRO 7 -5.095 -0.391 -10.344
50 HB2 PRO 7 2HB PRO 7 -4.344 -2.753 -9.236
51 HB3 PRO 7 3HB PRO 7 -3.458 -1.989 -10.560
52 HG2 PRO 7 2HG PRO 7 -2.867 -1.969 -7.626
53 HG3 PRO 7 3HG PRO 7 -1.754 -2.181 -8.990
54 HD2 PRO 7 2HD PRO 7 -2.028 0.176 -7.685
55 HD3 PRO 7 3HD PRO 7 -1.647 0.082 -9.417
56 H LEU 8 H LEU 8 -4.560 -0.157 -6.904
57 HA LEU 8 HA LEU 8 -6.956 -1.604 -6.202
58 HB2 LEU 8 2HB LEU 8 -5.123 -1.731 -4.684
59 HB3 LEU 8 3HB LEU 8 -4.992 0.024 -4.605
60 HG LEU 8 HG LEU 8 -7.526 -1.225 -3.679
61 HD11 LEU 8 1HD1 LEU 8 -6.568 -2.503 -2.143
62 HD12 LEU 8 2HD1 LEU 8 -5.857 -1.055 -1.430
63 HD13 LEU 8 3HD1 LEU 8 -4.961 -1.973 -2.641
64 HD21 LEU 8 3HD2 LEU 8 -7.651 1.044 -3.449
65 HD22 LEU 8 1HD2 LEU 8 -5.919 1.225 -3.173
66 HD23 LEU 8 2HD2 LEU 8 -6.958 0.623 -1.882
67 H ALA 9 H ALA 9 -6.078 1.653 -6.919
68 HA ALA 9 HA ALA 9 -8.056 3.066 -5.536
69 HB1 ALA 9 1HB ALA 9 -6.253 4.254 -6.551
70 HB2 ALA 9 2HB ALA 9 -6.690 3.661 -8.154
71 HB3 ALA 9 3HB ALA 9 -7.747 4.796 -7.315
72 H ALA 10 H ALA 10 -8.130 1.505 -8.712
73 HA ALA 10 HA ALA 10 -10.669 2.414 -9.506
74 HB1 ALA 10 1HB ALA 10 -9.252 1.496 -11.163
75 HB2 ALA 10 2HB ALA 10 -9.079 -0.020 -10.278
76 HB3 ALA 10 3HB ALA 10 -10.624 0.396 -11.020
77 H SER 11 H SER 11 -9.662 -0.510 -7.769
78 HA SER 11 HA SER 11 -12.206 -1.710 -7.634
79 HB2 SER 11 2HB SER 11 -9.798 -1.990 -5.823
80 HB3 SER 11 3HB SER 11 -11.225 -3.023 -5.738
81 HG SER 11 HG SER 11 -9.527 -3.915 -7.024
82 H PHE 12 H PHE 12 -10.485 0.415 -5.375
83 HA PHE 12 HA PHE 12 -12.556 0.415 -3.421
84 HB2 PHE 12 2HB PHE 12 -10.085 2.049 -3.882
85 HB3 PHE 12 3HB PHE 12 -11.263 2.565 -2.680
86 HD1 PHE 12 HD2 PHE 12 -9.828 -0.739 -3.662
87 HD2 PHE 12 HD1 PHE 12 -10.559 2.081 -0.558
88 HE1 PHE 12 HE2 PHE 12 -8.831 -2.284 -2.028
89 HE2 PHE 12 HE1 PHE 12 -9.562 0.540 1.081
90 HZ PHE 12 HZ PHE 12 -8.698 -1.646 0.347
91 H ILE 13 H ILE 13 -11.929 2.241 -6.301
92 HA ILE 13 HA ILE 13 -13.683 4.420 -5.669
93 HB ILE 13 HB ILE 13 -12.231 3.541 -8.133
94 HG12 ILE 13 2HG1 ILE 13 -11.103 4.924 -6.418
95 HG13 ILE 13 3HG1 ILE 13 -11.239 5.759 -7.961
96 HG21 ILE 13 1HG2 ILE 13 -14.501 5.508 -8.012
97 HG22 ILE 13 2HG2 ILE 13 -13.272 5.551 -9.276
98 HG23 ILE 13 3HG2 ILE 13 -14.301 4.130 -9.095
99 HD11 ILE 13 3HD1 ILE 13 -11.948 6.747 -5.493
100 HD12 ILE 13 1HD1 ILE 13 -12.410 7.413 -7.059
101 HD13 ILE 13 2HD1 ILE 13 -13.490 6.298 -6.220
102 H VAL 14 H VAL 14 -13.933 1.440 -7.554
103 HA VAL 14 HA VAL 14 -16.550 1.965 -8.547
104 HB VAL 14 HB VAL 14 -15.102 -0.672 -8.261
105 HG11 VAL 14 1HG1 VAL 14 -17.199 -1.437 -8.649
106 HG12 VAL 14 2HG1 VAL 14 -17.738 0.081 -9.371
107 HG13 VAL 14 3HG1 VAL 14 -16.772 -1.053 -10.316
108 HG21 VAL 14 3HG2 VAL 14 -13.962 -0.199 -10.124
109 HG22 VAL 14 1HG2 VAL 14 -15.391 0.450 -10.929
110 HG23 VAL 14 2HG2 VAL 14 -14.441 1.477 -9.856
111 H ARG 15 H ARG 15 -15.321 0.802 -5.556
112 HA ARG 15 HA ARG 15 -17.737 -0.559 -4.762
113 HB2 ARG 15 2HB ARG 15 -16.432 -1.443 -3.177
114 HB3 ARG 15 3HB ARG 15 -15.086 -0.573 -3.902
115 HG2 ARG 15 2HG ARG 15 -15.489 1.312 -2.409
116 HG3 ARG 15 3HG ARG 15 -16.854 0.454 -1.691
117 HD2 ARG 15 2HD ARG 15 -14.145 -0.811 -1.753
118 HD3 ARG 15 3HD ARG 15 -14.528 0.395 -0.526
119 HE ARG 15 HE ARG 15 -16.595 -1.328 -0.340
120 HH11 ARG 15 1HH1 ARG 15 -13.140 -1.758 -0.347
121 HH12 ARG 15 2HH1 ARG 15 -13.183 -3.166 0.662
122 HH21 ARG 15 1HH2 ARG 15 -16.664 -3.180 0.990
123 HH22 ARG 15 2HH2 ARG 15 -15.187 -3.974 1.422
124 H CYS 16 H CYS 16 -16.204 2.560 -4.159
125 HA CYS 16 HA CYS 16 -18.304 3.380 -2.339
126 HB2 CYS 16 2HB CYS 16 -15.973 4.929 -3.489
127 HB3 CYS 16 3HB CYS 16 -17.058 5.511 -2.232
128 HG CYS 16 HG CYS 16 -16.272 3.102 -0.647
129 H ALA 17 H ALA 17 -17.340 3.927 -5.669
130 HA ALA 17 HA ALA 17 -19.024 6.104 -6.238
131 HB1 ALA 17 1HB ALA 17 -18.102 3.950 -8.137
132 HB2 ALA 17 2HB ALA 17 -18.678 5.561 -8.568
133 HB3 ALA 17 3HB ALA 17 -17.164 5.374 -7.683
134 H PHE 18 H PHE 18 -19.572 2.621 -6.314
135 HA PHE 18 HA PHE 18 -22.165 2.802 -7.501
136 HB2 PHE 18 2HB PHE 18 -20.536 0.777 -7.416
137 HB3 PHE 18 3HB PHE 18 -21.249 0.476 -5.835
138 HD1 PHE 18 HD2 PHE 18 -22.639 1.515 -9.140
139 HD2 PHE 18 HD1 PHE 18 -22.728 -1.269 -5.922
140 HE1 PHE 18 HE2 PHE 18 -24.513 0.338 -10.215
141 HE2 PHE 18 HE1 PHE 18 -24.602 -2.451 -6.992
142 HZ PHE 18 HZ PHE 18 -25.498 -1.648 -9.141
143 H GLU 19 H GLU 19 -20.934 2.591 -4.205
144 HA GLU 19 HA GLU 19 -23.550 2.374 -3.031
145 HB2 GLU 19 2HB GLU 19 -21.847 1.368 -1.763
146 HB3 GLU 19 3HB GLU 19 -20.779 2.754 -1.934
147 HG2 GLU 19 2HG GLU 19 -21.716 3.867 -0.213
148 HG3 GLU 19 3HG GLU 19 -23.332 3.244 -0.545
149 H HIS 20 H HIS 20 -21.388 4.935 -3.923
150 HA HIS 20 HA HIS 20 -22.524 6.965 -2.284
151 HB2 HIS 20 2HB HIS 20 -20.256 7.117 -3.281
152 HB3 HIS 20 3HB HIS 20 -20.990 7.265 -4.875
153 HD1 HIS 20 HD1 HIS 20 -20.687 9.138 -1.611
154 HD2 HIS 20 HD2 HIS 20 -21.793 9.800 -5.560
155 HE1 HIS 20 HE1 HIS 20 -20.966 11.629 -1.822
156 H SER 21 H SER 21 -23.173 5.769 -5.525
157 HA SER 21 HA SER 21 -25.100 7.854 -6.081
158 HB2 SER 21 2HB SER 21 -24.531 5.321 -7.638
159 HB3 SER 21 3HB SER 21 -25.419 6.732 -8.213
160 HG SER 21 HG SER 21 -22.840 7.152 -7.251
161 H ARG 22 H ARG 22 -25.100 4.498 -5.060
162 HA ARG 22 HA ARG 22 -27.777 3.858 -5.465
163 HB2 ARG 22 2HB ARG 22 -25.734 2.447 -4.575
164 HB3 ARG 22 3HB ARG 22 -26.379 2.900 -3.003
165 HG2 ARG 22 2HG ARG 22 -28.567 1.943 -3.689
166 HG3 ARG 22 3HG ARG 22 -27.798 1.373 -5.172
167 HD2 ARG 22 2HD ARG 22 -27.218 0.552 -2.338
168 HD3 ARG 22 3HD ARG 22 -27.789 -0.454 -3.668
169 HE ARG 22 HE ARG 22 -25.410 0.409 -4.576
170 HH11 ARG 22 1HH1 ARG 22 -26.393 -1.037 -1.565
171 HH12 ARG 22 2HH1 ARG 22 -24.865 -1.803 -1.284
172 HH21 ARG 22 1HH2 ARG 22 -23.394 -0.595 -4.217
173 HH22 ARG 22 2HH2 ARG 22 -23.159 -1.551 -2.793
174 H ARG 23 H ARG 23 -26.222 5.494 -2.740
175 HA ARG 23 HA ARG 23 -28.409 5.609 -1.013
176 HB2 ARG 23 2HB ARG 23 -26.428 6.257 -0.012
177 HB3 ARG 23 3HB ARG 23 -25.943 7.255 -1.376
178 HG2 ARG 23 2HG ARG 23 -27.135 9.063 -0.660
179 HG3 ARG 23 3HG ARG 23 -28.330 8.078 0.187
180 HD2 ARG 23 2HD ARG 23 -26.952 7.775 2.035
181 HD3 ARG 23 3HD ARG 23 -25.492 8.175 1.132
182 HE ARG 23 HE ARG 23 -25.823 10.360 1.686
183 HH11 ARG 23 1HH1 ARG 23 -28.848 8.667 2.001
184 HH12 ARG 23 2HH1 ARG 23 -29.692 10.030 2.660
185 HH21 ARG 23 1HH2 ARG 23 -26.922 12.162 2.552
186 HH22 ARG 23 2HH2 ARG 23 -28.595 12.017 2.971
187 H PHE 24 H PHE 24 -27.668 7.452 -3.868
188 HA PHE 24 HA PHE 24 -29.633 9.498 -3.330
189 HB2 PHE 24 2HB PHE 24 -27.499 9.848 -4.658
190 HB3 PHE 24 3HB PHE 24 -28.260 8.940 -5.960
191 HD1 PHE 24 HD1 PHE 24 -29.167 11.748 -3.669
192 HD2 PHE 24 HD2 PHE 24 -29.179 10.197 -7.633
193 HE1 PHE 24 HE1 PHE 24 -30.245 13.810 -4.469
194 HE2 PHE 24 HE2 PHE 24 -30.255 12.257 -8.439
195 HZ PHE 24 HZ PHE 24 -30.789 14.067 -6.857
196 H THR 25 H THR 25 -29.359 6.625 -5.360
197 HA THR 25 HA THR 25 -32.002 7.025 -6.486
198 HB THR 25 HB THR 25 -30.018 6.018 -7.751
199 HG1 THR 25 HG1 THR 25 -31.569 5.369 -9.028
200 HG21 THR 25 3HG2 THR 25 -29.190 3.997 -7.220
201 HG22 THR 25 1HG2 THR 25 -30.784 3.334 -6.862
202 HG23 THR 25 2HG2 THR 25 -29.927 4.276 -5.643
Start of MODEL 5
1 H1 GLN 1 H GLN 1 2.379 0.753 0.665
2 HA GLN 1 HA GLN 1 3.340 0.622 -1.437
3 HB2 GLN 1 2HB GLN 1 0.897 -1.128 -1.444
4 HB3 GLN 1 3HB GLN 1 1.973 -1.076 -2.834
5 HG2 GLN 1 2HG GLN 1 3.044 -1.616 -0.096
6 HG3 GLN 1 3HG GLN 1 2.310 -2.902 -1.052
7 HE21 GLN 1 1HE2 GLN 1 3.405 -3.756 -2.752
8 HE22 GLN 1 2HE2 GLN 1 5.026 -3.325 -3.166
9 H ARG 2 H ARG 2 3.497 2.155 -2.922
10 HA ARG 2 HA ARG 2 1.212 3.639 -3.820
11 HB2 ARG 2 2HB ARG 2 3.974 3.775 -5.013
12 HB3 ARG 2 3HB ARG 2 2.748 5.035 -4.957
13 HG2 ARG 2 2HG ARG 2 3.265 5.642 -2.837
14 HG3 ARG 2 3HG ARG 2 3.731 4.006 -2.365
15 HD2 ARG 2 2HD ARG 2 5.759 4.305 -3.854
16 HD3 ARG 2 3HD ARG 2 5.325 6.012 -3.941
17 HE ARG 2 HE ARG 2 6.123 6.285 -1.814
18 HH11 ARG 2 1HH1 ARG 2 5.668 2.890 -2.433
19 HH12 ARG 2 2HH1 ARG 2 6.432 2.386 -0.961
20 HH21 ARG 2 1HH2 ARG 2 7.131 5.635 0.126
21 HH22 ARG 2 2HH2 ARG 2 7.263 3.948 0.494
22 H SER 3 H SER 3 3.413 1.267 -5.248
23 HA SER 3 HA SER 3 2.481 1.375 -7.880
24 HB2 SER 3 2HB SER 3 4.538 0.159 -7.024
25 HB3 SER 3 3HB SER 3 3.456 -1.133 -6.504
26 HG SER 3 HG SER 3 4.384 -0.548 -8.989
27 H ASN 4 H ASN 4 1.331 -0.472 -5.100
28 HA ASN 4 HA ASN 4 -0.685 -1.845 -6.639
29 HB2 ASN 4 2HB ASN 4 -0.235 -1.685 -3.650
30 HB3 ASN 4 3HB ASN 4 -1.405 -2.738 -4.439
31 HD21 ASN 4 1HD2 ASN 4 -0.704 -4.545 -5.532
32 HD22 ASN 4 2HD2 ASN 4 0.910 -5.148 -5.399
33 H PHE 5 H PHE 5 -0.411 1.144 -5.006
34 HA PHE 5 HA PHE 5 -3.104 1.548 -4.257
35 HB2 PHE 5 2HB PHE 5 -1.150 2.901 -3.454
36 HB3 PHE 5 3HB PHE 5 -1.094 3.667 -5.038
37 HD1 PHE 5 HD1 PHE 5 -3.751 2.864 -2.538
38 HD2 PHE 5 HD2 PHE 5 -1.960 5.781 -5.067
39 HE1 PHE 5 HE1 PHE 5 -5.403 4.525 -1.785
40 HE2 PHE 5 HE2 PHE 5 -3.608 7.447 -4.318
41 HZ PHE 5 HZ PHE 5 -5.332 6.821 -2.674
42 H HIS 6 H HIS 6 -1.321 2.191 -7.230
43 HA HIS 6 HA HIS 6 -3.226 3.717 -8.577
44 HB2 HIS 6 2HB HIS 6 -0.919 2.033 -9.358
45 HB3 HIS 6 3HB HIS 6 -2.103 2.354 -10.622
46 HD1 HIS 6 HD1 HIS 6 -0.235 3.766 -11.829
47 HD2 HIS 6 HD2 HIS 6 -1.497 5.271 -8.168
48 HE1 HIS 6 HE1 HIS 6 0.608 6.134 -11.749
49 HA PRO 7 HA PRO 7 -5.008 -0.399 -10.385
50 HB2 PRO 7 2HB PRO 7 -4.235 -2.710 -9.189
51 HB3 PRO 7 3HB PRO 7 -3.365 -1.996 -10.552
52 HG2 PRO 7 2HG PRO 7 -2.748 -1.854 -7.626
53 HG3 PRO 7 3HG PRO 7 -1.646 -2.116 -8.990
54 HD2 PRO 7 2HD PRO 7 -1.920 0.291 -7.780
55 HD3 PRO 7 3HD PRO 7 -1.554 0.128 -9.509
56 H LEU 8 H LEU 8 -4.444 -0.023 -6.963
57 HA LEU 8 HA LEU 8 -6.826 -1.452 -6.181
58 HB2 LEU 8 2HB LEU 8 -4.979 -1.508 -4.676
59 HB3 LEU 8 3HB LEU 8 -4.857 0.250 -4.670
60 HG LEU 8 HG LEU 8 -7.376 -0.974 -3.671
61 HD11 LEU 8 1HD1 LEU 8 -4.798 -1.664 -2.625
62 HD12 LEU 8 2HD1 LEU 8 -6.396 -2.186 -2.095
63 HD13 LEU 8 3HD1 LEU 8 -5.692 -0.706 -1.445
64 HD21 LEU 8 3HD2 LEU 8 -7.521 1.297 -3.519
65 HD22 LEU 8 1HD2 LEU 8 -5.784 1.506 -3.293
66 HD23 LEU 8 2HD2 LEU 8 -6.787 0.949 -1.953
67 H ALA 9 H ALA 9 -5.971 1.778 -7.038
68 HA ALA 9 HA ALA 9 -7.943 3.237 -5.696
69 HB1 ALA 9 1HB ALA 9 -7.661 4.895 -7.546
70 HB2 ALA 9 2HB ALA 9 -6.157 4.391 -6.774
71 HB3 ALA 9 3HB ALA 9 -6.604 3.732 -8.348
72 H ALA 10 H ALA 10 -8.038 1.548 -8.805
73 HA ALA 10 HA ALA 10 -10.589 2.412 -9.612
74 HB1 ALA 10 1HB ALA 10 -10.548 0.334 -11.043
75 HB2 ALA 10 2HB ALA 10 -9.182 1.433 -11.243
76 HB3 ALA 10 3HB ALA 10 -8.994 -0.045 -10.299
77 H SER 11 H SER 11 -9.552 -0.434 -7.767
78 HA SER 11 HA SER 11 -12.088 -1.640 -7.560
79 HB2 SER 11 2HB SER 11 -9.661 -1.836 -5.762
80 HB3 SER 11 3HB SER 11 -11.083 -2.870 -5.621
81 HG SER 11 HG SER 11 -9.431 -3.835 -6.883
82 H PHE 12 H PHE 12 -10.357 0.583 -5.405
83 HA PHE 12 HA PHE 12 -12.411 0.651 -3.434
84 HB2 PHE 12 2HB PHE 12 -9.952 2.277 -3.983
85 HB3 PHE 12 3HB PHE 12 -11.122 2.837 -2.792
86 HD1 PHE 12 HD1 PHE 12 -9.680 -0.498 -3.652
87 HD2 PHE 12 HD2 PHE 12 -10.398 2.441 -0.658
88 HE1 PHE 12 HE1 PHE 12 -8.662 -1.972 -1.966
89 HE2 PHE 12 HE2 PHE 12 -9.380 0.972 1.033
90 HZ PHE 12 HZ PHE 12 -8.509 -1.237 0.380
91 H ILE 13 H ILE 13 -11.819 2.363 -6.390
92 HA ILE 13 HA ILE 13 -13.578 4.557 -5.831
93 HB ILE 13 HB ILE 13 -12.144 3.586 -8.271
94 HG12 ILE 13 2HG1 ILE 13 -11.008 5.043 -6.623
95 HG13 ILE 13 3HG1 ILE 13 -11.161 5.813 -8.198
96 HG21 ILE 13 1HG2 ILE 13 -14.423 5.546 -8.209
97 HG22 ILE 13 2HG2 ILE 13 -13.206 5.543 -9.484
98 HG23 ILE 13 3HG2 ILE 13 -14.226 4.126 -9.237
99 HD11 ILE 13 3HD1 ILE 13 -13.401 6.412 -6.461
100 HD12 ILE 13 1HD1 ILE 13 -11.855 6.899 -5.767
101 HD13 ILE 13 2HD1 ILE 13 -12.337 7.496 -7.356
102 H VAL 14 H VAL 14 -13.830 1.502 -7.592
103 HA VAL 14 HA VAL 14 -16.459 1.974 -8.580
104 HB VAL 14 HB VAL 14 -14.995 -0.643 -8.202
105 HG11 VAL 14 1HG1 VAL 14 -16.730 -0.992 -10.279
106 HG12 VAL 14 2HG1 VAL 14 -17.017 -1.518 -8.619
107 HG13 VAL 14 3HG1 VAL 14 -17.671 0.020 -9.184
108 HG21 VAL 14 3HG2 VAL 14 -15.245 0.187 -10.922
109 HG22 VAL 14 1HG2 VAL 14 -14.520 1.493 -9.985
110 HG23 VAL 14 2HG2 VAL 14 -13.781 -0.108 -9.984
111 H ARG 15 H ARG 15 -15.197 0.939 -5.556
112 HA ARG 15 HA ARG 15 -17.598 -0.401 -4.686
113 HB2 ARG 15 2HB ARG 15 -16.275 -1.213 -3.079
114 HB3 ARG 15 3HB ARG 15 -14.940 -0.367 -3.851
115 HG2 ARG 15 2HG ARG 15 -15.339 1.575 -2.432
116 HG3 ARG 15 3HG ARG 15 -16.693 0.740 -1.667
117 HD2 ARG 15 2HD ARG 15 -13.872 -0.314 -1.676
118 HD3 ARG 15 3HD ARG 15 -14.531 0.689 -0.385
119 HE ARG 15 HE ARG 15 -15.000 -2.092 -0.802
120 HH11 ARG 15 1HH1 ARG 15 -16.444 0.842 0.393
121 HH12 ARG 15 2HH1 ARG 15 -17.520 0.025 1.477
122 HH21 ARG 15 1HH2 ARG 15 -16.413 -3.179 0.621
123 HH22 ARG 15 2HH2 ARG 15 -17.501 -2.262 1.607
124 H CYS 16 H CYS 16 -16.076 2.748 -4.223
125 HA CYS 16 HA CYS 16 -18.164 3.631 -2.420
126 HB2 CYS 16 2HB CYS 16 -15.851 5.144 -3.652
127 HB3 CYS 16 3HB CYS 16 -16.928 5.770 -2.409
128 HG CYS 16 HG CYS 16 -16.033 4.240 -0.376
129 H ALA 17 H ALA 17 -17.233 4.047 -5.777
130 HA ALA 17 HA ALA 17 -18.932 6.191 -6.419
131 HB1 ALA 17 1HB ALA 17 -17.083 5.412 -7.850
132 HB2 ALA 17 2HB ALA 17 -18.017 3.966 -8.237
133 HB3 ALA 17 3HB ALA 17 -18.606 5.554 -8.728
134 H PHE 18 H PHE 18 -19.465 2.706 -6.350
135 HA PHE 18 HA PHE 18 -22.071 2.830 -7.515
136 HB2 PHE 18 2HB PHE 18 -20.430 0.818 -7.374
137 HB3 PHE 18 3HB PHE 18 -21.127 0.570 -5.777
138 HD1 PHE 18 HD2 PHE 18 -21.825 0.600 -9.385
139 HD2 PHE 18 HD1 PHE 18 -23.327 -0.299 -5.505
140 HE1 PHE 18 HE2 PHE 18 -23.702 -0.624 -10.399
141 HE2 PHE 18 HE1 PHE 18 -25.206 -1.526 -6.513
142 HZ PHE 18 HZ PHE 18 -25.396 -1.688 -8.963
143 H GLU 19 H GLU 19 -20.802 2.741 -4.228
144 HA GLU 19 HA GLU 19 -23.399 2.551 -3.013
145 HB2 GLU 19 2HB GLU 19 -21.673 1.613 -1.726
146 HB3 GLU 19 3HB GLU 19 -20.617 2.997 -1.970
147 HG2 GLU 19 2HG GLU 19 -21.538 4.175 -0.283
148 HG3 GLU 19 3HG GLU 19 -23.153 3.529 -0.566
149 H HIS 20 H HIS 20 -21.269 5.098 -4.024
150 HA HIS 20 HA HIS 20 -22.403 7.179 -2.453
151 HB2 HIS 20 2HB HIS 20 -20.155 7.314 -3.494
152 HB3 HIS 20 3HB HIS 20 -20.918 7.390 -5.080
153 HD1 HIS 20 HD1 HIS 20 -22.567 9.548 -5.397
154 HD2 HIS 20 HD2 HIS 20 -19.764 9.736 -2.336
155 HE1 HIS 20 HE1 HIS 20 -22.372 11.986 -4.812
156 H SER 21 H SER 21 -23.094 5.852 -5.634
157 HA SER 21 HA SER 21 -25.059 7.891 -6.227
158 HB2 SER 21 2HB SER 21 -24.467 5.322 -7.715
159 HB3 SER 21 3HB SER 21 -25.392 6.697 -8.319
160 HG SER 21 HG SER 21 -22.808 7.198 -7.413
161 H ARG 22 H ARG 22 -24.982 4.587 -5.070
162 HA ARG 22 HA ARG 22 -27.634 3.848 -5.431
163 HB2 ARG 22 2HB ARG 22 -25.541 2.575 -4.427
164 HB3 ARG 22 3HB ARG 22 -26.250 3.084 -2.900
165 HG2 ARG 22 2HG ARG 22 -28.366 1.991 -3.566
166 HG3 ARG 22 3HG ARG 22 -27.563 1.404 -5.023
167 HD2 ARG 22 2HD ARG 22 -27.421 -0.387 -3.529
168 HD3 ARG 22 3HD ARG 22 -25.837 0.382 -3.435
169 HE ARG 22 HE ARG 22 -26.279 0.966 -1.258
170 HH11 ARG 22 1HH1 ARG 22 -29.211 -0.112 -2.794
171 HH12 ARG 22 2HH1 ARG 22 -30.122 -0.155 -1.321
172 HH21 ARG 22 1HH2 ARG 22 -27.467 0.914 0.688
173 HH22 ARG 22 2HH2 ARG 22 -29.129 0.430 0.659
174 H ARG 23 H ARG 23 -26.148 5.681 -2.791
175 HA ARG 23 HA ARG 23 -28.356 5.843 -1.097
176 HB2 ARG 23 2HB ARG 23 -26.393 8.096 -1.464
177 HB3 ARG 23 3HB ARG 23 -27.235 7.611 0.001
178 HG2 ARG 23 2HG ARG 23 -25.777 5.366 -0.731
179 HG3 ARG 23 3HG ARG 23 -24.698 6.726 -1.048
180 HD2 ARG 23 2HD ARG 23 -24.278 6.146 1.181
181 HD3 ARG 23 3HD ARG 23 -25.337 7.552 1.279
182 HE ARG 23 HE ARG 23 -26.738 5.044 1.343
183 HH11 ARG 23 1HH1 ARG 23 -25.071 7.441 3.238
184 HH12 ARG 23 2HH1 ARG 23 -25.883 7.029 4.712
185 HH21 ARG 23 1HH2 ARG 23 -27.813 4.491 3.277
186 HH22 ARG 23 2HH2 ARG 23 -27.442 5.350 4.734
187 H PHE 24 H PHE 24 -27.619 7.550 -4.039
188 HA PHE 24 HA PHE 24 -29.649 9.564 -3.640
189 HB2 PHE 24 2HB PHE 24 -27.503 9.905 -4.952
190 HB3 PHE 24 3HB PHE 24 -28.217 8.908 -6.215
191 HD1 PHE 24 HD1 PHE 24 -30.188 9.697 -7.451
192 HD2 PHE 24 HD2 PHE 24 -28.192 12.156 -4.608
193 HE1 PHE 24 HE1 PHE 24 -31.310 11.679 -8.383
194 HE2 PHE 24 HE2 PHE 24 -29.311 14.142 -5.534
195 HZ PHE 24 HZ PHE 24 -30.873 13.905 -7.423
196 H THR 25 H THR 25 -29.263 6.595 -5.506
197 HA THR 25 HA THR 25 -31.897 6.861 -6.694
198 HB THR 25 HB THR 25 -29.864 5.844 -7.872
199 HG1 THR 25 HG1 THR 25 -32.216 5.603 -8.422
200 HG21 THR 25 3HG2 THR 25 -30.575 3.191 -6.852
201 HG22 THR 25 1HG2 THR 25 -29.762 4.220 -5.673
202 HG23 THR 25 2HG2 THR 25 -28.993 3.876 -7.222
Start of MODEL 6
1 H1 GLN 1 H GLN 1 1.800 -0.511 0.215
2 HA GLN 1 HA GLN 1 3.329 0.586 -1.356
3 HB2 GLN 1 2HB GLN 1 1.777 -1.502 -2.877
4 HB3 GLN 1 3HB GLN 1 3.486 -1.111 -3.013
5 HG2 GLN 1 2HG GLN 1 2.113 -2.461 -0.703
6 HG3 GLN 1 3HG GLN 1 3.245 -3.184 -1.844
7 HE21 GLN 1 1HE2 GLN 1 3.342 -2.942 1.086
8 HE22 GLN 1 2HE2 GLN 1 4.835 -2.148 1.438
9 H ARG 2 H ARG 2 3.607 1.803 -3.210
10 HA ARG 2 HA ARG 2 1.317 3.315 -4.048
11 HB2 ARG 2 2HB ARG 2 4.051 3.427 -5.305
12 HB3 ARG 2 3HB ARG 2 2.840 4.699 -5.216
13 HG2 ARG 2 2HG ARG 2 3.413 5.292 -3.106
14 HG3 ARG 2 3HG ARG 2 3.874 3.650 -2.651
15 HD2 ARG 2 2HD ARG 2 5.868 3.936 -4.190
16 HD3 ARG 2 3HD ARG 2 5.450 5.648 -4.254
17 HE ARG 2 HE ARG 2 6.683 4.246 -2.071
18 HH11 ARG 2 1HH1 ARG 2 4.762 7.004 -2.979
19 HH12 ARG 2 2HH1 ARG 2 5.221 7.942 -1.596
20 HH21 ARG 2 1HH2 ARG 2 7.294 5.471 -0.247
21 HH22 ARG 2 2HH2 ARG 2 6.661 7.070 -0.043
22 H SER 3 H SER 3 3.459 0.926 -5.536
23 HA SER 3 HA SER 3 2.467 1.054 -8.145
24 HB2 SER 3 2HB SER 3 4.531 -0.186 -7.341
25 HB3 SER 3 3HB SER 3 3.448 -1.469 -6.800
26 HG SER 3 HG SER 3 4.381 -1.659 -8.990
27 H ASN 4 H ASN 4 1.363 -0.792 -5.345
28 HA ASN 4 HA ASN 4 -0.702 -2.138 -6.842
29 HB2 ASN 4 2HB ASN 4 -0.182 -1.993 -3.864
30 HB3 ASN 4 3HB ASN 4 -1.381 -3.031 -4.629
31 HD21 ASN 4 1HD2 ASN 4 -0.109 -4.038 -6.760
32 HD22 ASN 4 2HD2 ASN 4 1.262 -4.970 -6.273
33 H PHE 5 H PHE 5 -0.359 0.843 -5.207
34 HA PHE 5 HA PHE 5 -3.030 1.272 -4.394
35 HB2 PHE 5 2HB PHE 5 -1.043 2.601 -3.633
36 HB3 PHE 5 3HB PHE 5 -1.017 3.373 -5.214
37 HD1 PHE 5 HD2 PHE 5 -2.729 4.964 -5.852
38 HD2 PHE 5 HD1 PHE 5 -2.755 3.119 -2.017
39 HE1 PHE 5 HE2 PHE 5 -4.343 6.643 -5.059
40 HE2 PHE 5 HE1 PHE 5 -4.370 4.794 -1.218
41 HZ PHE 5 HZ PHE 5 -5.165 6.560 -2.739
42 H HIS 6 H HIS 6 -1.310 1.907 -7.405
43 HA HIS 6 HA HIS 6 -3.229 3.458 -8.702
44 HB2 HIS 6 2HB HIS 6 -0.959 1.752 -9.543
45 HB3 HIS 6 3HB HIS 6 -2.168 2.090 -10.778
46 HD1 HIS 6 HD1 HIS 6 -1.955 4.268 -11.959
47 HD2 HIS 6 HD2 HIS 6 0.174 4.206 -8.392
48 HE1 HIS 6 HE1 HIS 6 -0.667 6.428 -11.906
49 HA PRO 7 HA PRO 7 -5.096 -0.633 -10.482
50 HB2 PRO 7 2HB PRO 7 -4.320 -2.957 -9.312
51 HB3 PRO 7 3HB PRO 7 -3.474 -2.247 -10.692
52 HG2 PRO 7 2HG PRO 7 -2.788 -2.122 -7.781
53 HG3 PRO 7 3HG PRO 7 -1.721 -2.390 -9.171
54 HD2 PRO 7 2HD PRO 7 -1.941 0.015 -7.947
55 HD3 PRO 7 3HD PRO 7 -1.618 -0.146 -9.685
56 H LEU 8 H LEU 8 -4.449 -0.275 -7.073
57 HA LEU 8 HA LEU 8 -6.827 -1.682 -6.241
58 HB2 LEU 8 2HB LEU 8 -4.947 -1.763 -4.779
59 HB3 LEU 8 3HB LEU 8 -4.805 -0.006 -4.770
60 HG LEU 8 HG LEU 8 -7.315 -1.204 -3.717
61 HD11 LEU 8 1HD1 LEU 8 -5.549 -0.959 -1.540
62 HD12 LEU 8 2HD1 LEU 8 -4.735 -1.956 -2.745
63 HD13 LEU 8 3HD1 LEU 8 -6.328 -2.419 -2.150
64 HD21 LEU 8 3HD2 LEU 8 -6.693 0.702 -2.010
65 HD22 LEU 8 1HD2 LEU 8 -7.409 1.078 -3.578
66 HD23 LEU 8 2HD2 LEU 8 -5.670 1.248 -3.339
67 H ALA 9 H ALA 9 -5.958 1.542 -7.106
68 HA ALA 9 HA ALA 9 -7.883 3.017 -5.714
69 HB1 ALA 9 1HB ALA 9 -7.627 4.677 -7.566
70 HB2 ALA 9 2HB ALA 9 -6.110 4.156 -6.831
71 HB3 ALA 9 3HB ALA 9 -6.601 3.506 -8.395
72 H ALA 10 H ALA 10 -8.068 1.339 -8.826
73 HA ALA 10 HA ALA 10 -10.628 2.232 -9.571
74 HB1 ALA 10 1HB ALA 10 -9.270 1.245 -11.237
75 HB2 ALA 10 2HB ALA 10 -9.075 -0.238 -10.301
76 HB3 ALA 10 3HB ALA 10 -10.641 0.159 -11.008
77 H SER 11 H SER 11 -9.579 -0.631 -7.759
78 HA SER 11 HA SER 11 -12.122 -1.810 -7.496
79 HB2 SER 11 2HB SER 11 -9.657 -2.036 -5.755
80 HB3 SER 11 3HB SER 11 -11.086 -3.056 -5.585
81 HG SER 11 HG SER 11 -9.314 -2.886 -7.787
82 H PHE 12 H PHE 12 -10.318 0.388 -5.375
83 HA PHE 12 HA PHE 12 -12.325 0.473 -3.357
84 HB2 PHE 12 2HB PHE 12 -9.863 2.075 -3.958
85 HB3 PHE 12 3HB PHE 12 -10.999 2.642 -2.739
86 HD1 PHE 12 HD2 PHE 12 -9.611 -0.704 -3.642
87 HD2 PHE 12 HD1 PHE 12 -10.229 2.233 -0.624
88 HE1 PHE 12 HE2 PHE 12 -8.568 -2.193 -1.984
89 HE2 PHE 12 HE1 PHE 12 -9.187 0.749 1.038
90 HZ PHE 12 HZ PHE 12 -8.355 -1.468 0.359
91 H ILE 13 H ILE 13 -11.783 2.187 -6.322
92 HA ILE 13 HA ILE 13 -13.506 4.398 -5.716
93 HB ILE 13 HB ILE 13 -12.140 3.419 -8.191
94 HG12 ILE 13 2HG1 ILE 13 -10.950 4.858 -6.566
95 HG13 ILE 13 3HG1 ILE 13 -11.132 5.635 -8.135
96 HG21 ILE 13 1HG2 ILE 13 -14.395 5.402 -8.071
97 HG22 ILE 13 2HG2 ILE 13 -13.208 5.390 -9.375
98 HG23 ILE 13 3HG2 ILE 13 -14.238 3.983 -9.107
99 HD11 ILE 13 3HD1 ILE 13 -12.271 7.327 -7.264
100 HD12 ILE 13 1HD1 ILE 13 -13.323 6.252 -6.343
101 HD13 ILE 13 2HD1 ILE 13 -11.754 6.724 -5.689
102 H VAL 14 H VAL 14 -13.831 1.350 -7.479
103 HA VAL 14 HA VAL 14 -16.477 1.853 -8.405
104 HB VAL 14 HB VAL 14 -15.033 -0.780 -8.066
105 HG11 VAL 14 1HG1 VAL 14 -17.622 -0.036 -9.385
106 HG12 VAL 14 2HG1 VAL 14 -16.701 -1.452 -9.898
107 HG13 VAL 14 3HG1 VAL 14 -17.294 -1.337 -8.241
108 HG21 VAL 14 3HG2 VAL 14 -15.334 0.054 -10.778
109 HG22 VAL 14 1HG2 VAL 14 -14.581 1.356 -9.857
110 HG23 VAL 14 2HG2 VAL 14 -13.852 -0.251 -9.871
111 H ARG 15 H ARG 15 -15.157 0.797 -5.413
112 HA ARG 15 HA ARG 15 -17.551 -0.520 -4.491
113 HB2 ARG 15 2HB ARG 15 -16.199 -1.349 -2.916
114 HB3 ARG 15 3HB ARG 15 -14.874 -0.515 -3.716
115 HG2 ARG 15 2HG ARG 15 -15.220 1.428 -2.285
116 HG3 ARG 15 3HG ARG 15 -16.565 0.606 -1.490
117 HD2 ARG 15 2HD ARG 15 -14.116 -0.975 -1.540
118 HD3 ARG 15 3HD ARG 15 -13.934 0.556 -0.686
119 HE ARG 15 HE ARG 15 -16.300 -0.772 0.130
120 HH11 ARG 15 1HH1 ARG 15 -12.837 -0.860 0.473
121 HH12 ARG 15 2HH1 ARG 15 -12.880 -1.606 2.037
122 HH21 ARG 15 1HH2 ARG 15 -16.370 -1.754 2.188
123 HH22 ARG 15 2HH2 ARG 15 -14.890 -2.115 3.010
124 H CYS 16 H CYS 16 -15.986 2.612 -4.055
125 HA CYS 16 HA CYS 16 -18.023 3.512 -2.203
126 HB2 CYS 16 2HB CYS 16 -15.724 5.004 -3.484
127 HB3 CYS 16 3HB CYS 16 -16.766 5.638 -2.216
128 HG CYS 16 HG CYS 16 -13.982 4.428 -1.667
129 H ALA 17 H ALA 17 -17.162 3.930 -5.579
130 HA ALA 17 HA ALA 17 -18.849 6.093 -6.181
131 HB1 ALA 17 1HB ALA 17 -17.048 5.290 -7.658
132 HB2 ALA 17 2HB ALA 17 -18.008 3.854 -8.017
133 HB3 ALA 17 3HB ALA 17 -18.592 5.447 -8.498
134 H PHE 18 H PHE 18 -19.430 2.614 -6.104
135 HA PHE 18 HA PHE 18 -22.067 2.785 -7.196
136 HB2 PHE 18 2HB PHE 18 -20.444 0.748 -7.109
137 HB3 PHE 18 3HB PHE 18 -21.117 0.495 -5.502
138 HD1 PHE 18 HD1 PHE 18 -22.050 0.836 -9.074
139 HD2 PHE 18 HD2 PHE 18 -23.151 -0.606 -5.224
140 HE1 PHE 18 HE1 PHE 18 -23.964 -0.348 -10.069
141 HE2 PHE 18 HE2 PHE 18 -25.065 -1.794 -6.213
142 HZ PHE 18 HZ PHE 18 -25.474 -1.666 -8.638
143 H GLU 19 H GLU 19 -20.706 2.629 -3.945
144 HA GLU 19 HA GLU 19 -23.262 2.463 -2.652
145 HB2 GLU 19 2HB GLU 19 -21.533 1.520 -1.396
146 HB3 GLU 19 3HB GLU 19 -20.440 2.859 -1.716
147 HG2 GLU 19 2HG GLU 19 -21.193 2.851 0.596
148 HG3 GLU 19 3HG GLU 19 -21.733 4.298 -0.253
149 H HIS 20 H HIS 20 -21.154 5.007 -3.718
150 HA HIS 20 HA HIS 20 -22.255 7.083 -2.110
151 HB2 HIS 20 2HB HIS 20 -20.015 7.204 -3.186
152 HB3 HIS 20 3HB HIS 20 -20.806 7.320 -4.755
153 HD1 HIS 20 HD1 HIS 20 -20.385 9.258 -1.542
154 HD2 HIS 20 HD2 HIS 20 -21.640 9.841 -5.459
155 HE1 HIS 20 HE1 HIS 20 -20.676 11.743 -1.792
156 H SER 21 H SER 21 -23.005 5.752 -5.270
157 HA SER 21 HA SER 21 -24.934 7.815 -5.876
158 HB2 SER 21 2HB SER 21 -24.457 5.184 -7.294
159 HB3 SER 21 3HB SER 21 -25.342 6.573 -7.923
160 HG SER 21 HG SER 21 -22.598 6.604 -7.199
161 H ARG 22 H ARG 22 -24.942 4.508 -4.689
162 HA ARG 22 HA ARG 22 -27.659 3.930 -4.938
163 HB2 ARG 22 2HB ARG 22 -25.581 3.015 -2.956
164 HB3 ARG 22 3HB ARG 22 -27.231 2.405 -2.931
165 HG2 ARG 22 2HG ARG 22 -26.050 2.265 -5.576
166 HG3 ARG 22 3HG ARG 22 -25.120 1.372 -4.370
167 HD2 ARG 22 2HD ARG 22 -26.726 -0.182 -4.101
168 HD3 ARG 22 3HD ARG 22 -28.028 1.002 -4.211
169 HE ARG 22 HE ARG 22 -26.908 0.690 -6.753
170 HH11 ARG 22 1HH1 ARG 22 -28.744 -1.135 -4.426
171 HH12 ARG 22 2HH1 ARG 22 -29.528 -2.116 -5.620
172 HH21 ARG 22 1HH2 ARG 22 -27.934 -0.594 -8.334
173 HH22 ARG 22 2HH2 ARG 22 -29.066 -1.808 -7.842
174 H ARG 23 H ARG 23 -25.900 5.587 -2.355
175 HA ARG 23 HA ARG 23 -27.980 5.808 -0.508
176 HB2 ARG 23 2HB ARG 23 -25.908 6.400 0.348
177 HB3 ARG 23 3HB ARG 23 -25.497 7.385 -1.050
178 HG2 ARG 23 2HG ARG 23 -25.859 8.790 0.873
179 HG3 ARG 23 3HG ARG 23 -27.128 9.071 -0.320
180 HD2 ARG 23 2HD ARG 23 -28.202 7.076 1.212
181 HD3 ARG 23 3HD ARG 23 -27.299 8.013 2.402
182 HE ARG 23 HE ARG 23 -28.889 9.671 0.710
183 HH11 ARG 23 1HH1 ARG 23 -28.992 7.584 3.494
184 HH12 ARG 23 2HH1 ARG 23 -30.378 8.360 4.187
185 HH21 ARG 23 1HH2 ARG 23 -30.714 10.701 1.611
186 HH22 ARG 23 2HH2 ARG 23 -31.357 10.132 3.114
187 H PHE 24 H PHE 24 -27.360 7.541 -3.453
188 HA PHE 24 HA PHE 24 -29.204 9.680 -2.855
189 HB2 PHE 24 2HB PHE 24 -27.153 9.902 -4.334
190 HB3 PHE 24 3HB PHE 24 -28.036 8.985 -5.550
191 HD1 PHE 24 HD1 PHE 24 -30.310 9.921 -6.292
192 HD2 PHE 24 HD2 PHE 24 -27.381 12.202 -4.210
193 HE1 PHE 24 HE1 PHE 24 -31.362 11.996 -7.093
194 HE2 PHE 24 HE2 PHE 24 -28.429 14.281 -5.007
195 HZ PHE 24 HZ PHE 24 -30.422 14.180 -6.450
196 H THR 25 H THR 25 -29.179 6.736 -4.799
197 HA THR 25 HA THR 25 -31.877 7.209 -5.758
198 HB THR 25 HB THR 25 -30.019 6.084 -7.118
199 HG1 THR 25 HG1 THR 25 -32.679 5.232 -6.830
200 HG21 THR 25 3HG2 THR 25 -29.566 4.486 -5.113
201 HG22 THR 25 1HG2 THR 25 -29.474 3.859 -6.758
202 HG23 THR 25 2HG2 THR 25 -30.910 3.559 -5.779
Start of MODEL 7
1 H1 GLN 1 H GLN 1 4.383 -0.549 -1.463
2 HA GLN 1 HA GLN 1 2.238 -1.031 -2.112
3 HB2 GLN 1 2HB GLN 1 2.216 -0.362 0.406
4 HB3 GLN 1 3HB GLN 1 1.368 1.072 -0.158
5 HG2 GLN 1 2HG GLN 1 -0.519 -0.069 -0.666
6 HG3 GLN 1 3HG GLN 1 0.351 -1.540 -1.095
7 HE21 GLN 1 1HE2 GLN 1 -1.988 -0.983 0.685
8 HE22 GLN 1 2HE2 GLN 1 -1.577 -1.721 2.192
9 H ARG 2 H ARG 2 3.582 1.684 -3.090
10 HA ARG 2 HA ARG 2 1.306 3.243 -3.878
11 HB2 ARG 2 2HB ARG 2 4.062 3.429 -5.077
12 HB3 ARG 2 3HB ARG 2 2.848 4.694 -4.934
13 HG2 ARG 2 2HG ARG 2 3.383 5.160 -2.783
14 HG3 ARG 2 3HG ARG 2 3.835 3.494 -2.418
15 HD2 ARG 2 2HD ARG 2 5.859 3.865 -3.893
16 HD3 ARG 2 3HD ARG 2 5.441 5.578 -3.877
17 HE ARG 2 HE ARG 2 5.632 4.450 -1.251
18 HH11 ARG 2 1HH1 ARG 2 7.445 5.816 -3.891
19 HH12 ARG 2 2HH1 ARG 2 8.758 6.340 -2.889
20 HH21 ARG 2 1HH2 ARG 2 7.354 5.135 0.078
21 HH22 ARG 2 2HH2 ARG 2 8.705 5.952 -0.632
22 H SER 3 H SER 3 3.476 0.945 -5.467
23 HA SER 3 HA SER 3 2.529 1.230 -8.081
24 HB2 SER 3 2HB SER 3 3.606 -1.269 -6.751
25 HB3 SER 3 3HB SER 3 3.488 -0.996 -8.489
26 HG SER 3 HG SER 3 4.974 0.692 -8.276
27 H ASN 4 H ASN 4 1.380 -0.781 -5.417
28 HA ASN 4 HA ASN 4 -0.658 -2.036 -7.027
29 HB2 ASN 4 2HB ASN 4 -0.188 -2.070 -4.037
30 HB3 ASN 4 3HB ASN 4 -1.373 -3.060 -4.884
31 HD21 ASN 4 1HD2 ASN 4 -0.191 -4.087 -6.961
32 HD22 ASN 4 2HD2 ASN 4 1.222 -4.988 -6.542
33 H PHE 5 H PHE 5 -0.347 0.841 -5.210
34 HA PHE 5 HA PHE 5 -3.032 1.220 -4.419
35 HB2 PHE 5 2HB PHE 5 -1.063 2.501 -3.543
36 HB3 PHE 5 3HB PHE 5 -1.006 3.366 -5.076
37 HD1 PHE 5 HD2 PHE 5 -3.907 2.371 -2.967
38 HD2 PHE 5 HD1 PHE 5 -1.603 5.547 -4.618
39 HE1 PHE 5 HE2 PHE 5 -5.539 3.998 -2.105
40 HE2 PHE 5 HE1 PHE 5 -3.231 7.180 -3.757
41 HZ PHE 5 HZ PHE 5 -5.202 6.406 -2.500
42 H HIS 6 H HIS 6 -1.261 2.035 -7.356
43 HA HIS 6 HA HIS 6 -3.159 3.661 -8.591
44 HB2 HIS 6 2HB HIS 6 -0.873 2.009 -9.493
45 HB3 HIS 6 3HB HIS 6 -2.061 2.422 -10.726
46 HD1 HIS 6 HD1 HIS 6 0.543 3.931 -8.515
47 HD2 HIS 6 HD2 HIS 6 -2.146 5.128 -11.447
48 HE1 HIS 6 HE1 HIS 6 1.224 6.271 -9.137
49 HA PRO 7 HA PRO 7 -4.989 -0.316 -10.646
50 HB2 PRO 7 2HB PRO 7 -4.231 -2.706 -9.604
51 HB3 PRO 7 3HB PRO 7 -3.362 -1.914 -10.924
52 HG2 PRO 7 2HG PRO 7 -2.726 -1.964 -7.999
53 HG3 PRO 7 3HG PRO 7 -1.635 -2.148 -9.384
54 HD2 PRO 7 2HD PRO 7 -1.880 0.179 -8.022
55 HD3 PRO 7 3HD PRO 7 -1.526 0.124 -9.760
56 H LEU 8 H LEU 8 -4.402 -0.164 -7.210
57 HA LEU 8 HA LEU 8 -6.792 -1.619 -6.506
58 HB2 LEU 8 2HB LEU 8 -4.937 -1.787 -5.019
59 HB3 LEU 8 3HB LEU 8 -4.799 -0.034 -4.902
60 HG LEU 8 HG LEU 8 -7.323 -1.298 -3.967
61 HD11 LEU 8 1HD1 LEU 8 -5.631 -1.190 -1.737
62 HD12 LEU 8 2HD1 LEU 8 -4.741 -2.068 -2.981
63 HD13 LEU 8 3HD1 LEU 8 -6.340 -2.622 -2.484
64 HD21 LEU 8 3HD2 LEU 8 -5.708 1.140 -3.442
65 HD22 LEU 8 1HD2 LEU 8 -6.708 0.506 -2.134
66 HD23 LEU 8 2HD2 LEU 8 -7.448 0.959 -3.670
67 H ALA 9 H ALA 9 -5.913 1.651 -7.161
68 HA ALA 9 HA ALA 9 -7.864 3.038 -5.715
69 HB1 ALA 9 1HB ALA 9 -7.578 4.808 -7.459
70 HB2 ALA 9 2HB ALA 9 -6.074 4.244 -6.730
71 HB3 ALA 9 3HB ALA 9 -6.536 3.690 -8.339
72 H ALA 10 H ALA 10 -7.992 1.552 -8.926
73 HA ALA 10 HA ALA 10 -10.540 2.488 -9.660
74 HB1 ALA 10 1HB ALA 10 -8.970 0.067 -10.511
75 HB2 ALA 10 2HB ALA 10 -10.524 0.505 -11.221
76 HB3 ALA 10 3HB ALA 10 -9.151 1.603 -11.359
77 H SER 11 H SER 11 -9.518 -0.479 -8.007
78 HA SER 11 HA SER 11 -12.063 -1.674 -7.862
79 HB2 SER 11 2HB SER 11 -9.628 -2.005 -6.095
80 HB3 SER 11 3HB SER 11 -11.058 -3.033 -6.011
81 HG SER 11 HG SER 11 -9.017 -3.407 -7.541
82 H PHE 12 H PHE 12 -10.301 0.392 -5.579
83 HA PHE 12 HA PHE 12 -12.343 0.352 -3.596
84 HB2 PHE 12 2HB PHE 12 -9.873 1.989 -4.055
85 HB3 PHE 12 3HB PHE 12 -11.031 2.481 -2.824
86 HD1 PHE 12 HD2 PHE 12 -9.624 -0.804 -3.904
87 HD2 PHE 12 HD1 PHE 12 -10.296 1.945 -0.725
88 HE1 PHE 12 HE2 PHE 12 -8.608 -2.391 -2.322
89 HE2 PHE 12 HE1 PHE 12 -9.281 0.363 0.863
90 HZ PHE 12 HZ PHE 12 -8.436 -1.809 0.065
91 H ILE 13 H ILE 13 -11.751 2.244 -6.441
92 HA ILE 13 HA ILE 13 -13.488 4.413 -5.732
93 HB ILE 13 HB ILE 13 -12.077 3.588 -8.237
94 HG12 ILE 13 2HG1 ILE 13 -10.918 4.926 -6.506
95 HG13 ILE 13 3HG1 ILE 13 -11.073 5.797 -8.028
96 HG21 ILE 13 1HG2 ILE 13 -14.337 5.559 -8.036
97 HG22 ILE 13 2HG2 ILE 13 -13.127 5.627 -9.317
98 HG23 ILE 13 3HG2 ILE 13 -14.159 4.206 -9.154
99 HD11 ILE 13 3HD1 ILE 13 -13.298 6.303 -6.244
100 HD12 ILE 13 1HD1 ILE 13 -11.745 6.730 -5.528
101 HD13 ILE 13 2HD1 ILE 13 -12.227 7.433 -7.072
102 H VAL 14 H VAL 14 -13.777 1.479 -7.682
103 HA VAL 14 HA VAL 14 -16.407 2.035 -8.623
104 HB VAL 14 HB VAL 14 -14.964 -0.612 -8.421
105 HG11 VAL 14 1HG1 VAL 14 -17.153 -1.256 -8.718
106 HG12 VAL 14 2HG1 VAL 14 -17.573 0.202 -9.619
107 HG13 VAL 14 3HG1 VAL 14 -16.624 -1.070 -10.390
108 HG21 VAL 14 3HG2 VAL 14 -15.239 0.432 -11.078
109 HG22 VAL 14 1HG2 VAL 14 -14.443 1.619 -10.044
110 HG23 VAL 14 2HG2 VAL 14 -13.775 -0.006 -10.198
111 H ARG 15 H ARG 15 -15.138 0.799 -5.679
112 HA ARG 15 HA ARG 15 -17.546 -0.573 -4.881
113 HB2 ARG 15 2HB ARG 15 -16.221 -1.498 -3.337
114 HB3 ARG 15 3HB ARG 15 -14.883 -0.615 -4.061
115 HG2 ARG 15 2HG ARG 15 -15.257 1.236 -2.519
116 HG3 ARG 15 3HG ARG 15 -16.613 0.365 -1.800
117 HD2 ARG 15 2HD ARG 15 -13.875 -0.849 -1.926
118 HD3 ARG 15 3HD ARG 15 -14.322 0.259 -0.630
119 HE ARG 15 HE ARG 15 -16.322 -1.601 -0.668
120 HH11 ARG 15 1HH1 ARG 15 -12.857 -1.710 -0.358
121 HH12 ARG 15 2HH1 ARG 15 -12.859 -3.136 0.625
122 HH21 ARG 15 1HH2 ARG 15 -16.338 -3.479 0.626
123 HH22 ARG 15 2HH2 ARG 15 -14.840 -4.142 1.184
124 H CYS 16 H CYS 16 -15.993 2.527 -4.228
125 HA CYS 16 HA CYS 16 -18.063 3.311 -2.359
126 HB2 CYS 16 2HB CYS 16 -15.743 4.878 -3.506
127 HB3 CYS 16 3HB CYS 16 -16.808 5.434 -2.221
128 HG CYS 16 HG CYS 16 -15.252 4.578 -0.378
129 H ALA 17 H ALA 17 -17.147 3.933 -5.689
130 HA ALA 17 HA ALA 17 -18.831 6.128 -6.181
131 HB1 ALA 17 1HB ALA 17 -18.523 5.639 -8.528
132 HB2 ALA 17 2HB ALA 17 -16.996 5.425 -7.671
133 HB3 ALA 17 3HB ALA 17 -17.946 4.017 -8.144
134 H PHE 18 H PHE 18 -19.393 2.650 -6.331
135 HA PHE 18 HA PHE 18 -22.002 2.866 -7.474
136 HB2 PHE 18 2HB PHE 18 -20.381 0.835 -7.461
137 HB3 PHE 18 3HB PHE 18 -21.070 0.499 -5.876
138 HD1 PHE 18 HD2 PHE 18 -21.837 0.824 -9.467
139 HD2 PHE 18 HD1 PHE 18 -23.227 -0.443 -5.648
140 HE1 PHE 18 HE2 PHE 18 -23.731 -0.323 -10.540
141 HE2 PHE 18 HE1 PHE 18 -25.122 -1.592 -6.716
142 HZ PHE 18 HZ PHE 18 -25.377 -1.532 -9.164
143 H GLU 19 H GLU 19 -20.724 2.574 -4.203
144 HA GLU 19 HA GLU 19 -23.323 2.339 -2.995
145 HB2 GLU 19 2HB GLU 19 -21.604 1.297 -1.776
146 HB3 GLU 19 3HB GLU 19 -20.533 2.683 -1.930
147 HG2 GLU 19 2HG GLU 19 -21.441 3.759 -0.170
148 HG3 GLU 19 3HG GLU 19 -23.063 3.150 -0.492
149 H HIS 20 H HIS 20 -21.165 4.913 -3.859
150 HA HIS 20 HA HIS 20 -22.269 6.908 -2.156
151 HB2 HIS 20 2HB HIS 20 -20.015 7.075 -3.183
152 HB3 HIS 20 3HB HIS 20 -20.773 7.263 -4.762
153 HD1 HIS 20 HD1 HIS 20 -22.525 9.433 -4.810
154 HD2 HIS 20 HD2 HIS 20 -19.457 9.439 -2.008
155 HE1 HIS 20 HE1 HIS 20 -22.262 11.833 -4.106
156 H SER 21 H SER 21 -22.971 5.790 -5.414
157 HA SER 21 HA SER 21 -24.897 7.893 -5.892
158 HB2 SER 21 2HB SER 21 -24.362 5.395 -7.516
159 HB3 SER 21 3HB SER 21 -25.253 6.822 -8.045
160 HG SER 21 HG SER 21 -22.598 7.063 -7.146
161 H ARG 22 H ARG 22 -24.895 4.514 -4.950
162 HA ARG 22 HA ARG 22 -27.580 3.893 -5.329
163 HB2 ARG 22 2HB ARG 22 -25.530 2.454 -4.504
164 HB3 ARG 22 3HB ARG 22 -26.149 2.872 -2.912
165 HG2 ARG 22 2HG ARG 22 -28.350 1.939 -3.586
166 HG3 ARG 22 3HG ARG 22 -27.608 1.404 -5.096
167 HD2 ARG 22 2HD ARG 22 -27.184 -0.492 -3.977
168 HD3 ARG 22 3HD ARG 22 -25.865 0.423 -3.248
169 HE ARG 22 HE ARG 22 -28.186 0.864 -1.747
170 HH11 ARG 22 1HH1 ARG 22 -25.959 -1.703 -2.506
171 HH12 ARG 22 2HH1 ARG 22 -26.205 -2.535 -1.006
172 HH21 ARG 22 1HH2 ARG 22 -28.518 -0.223 0.230
173 HH22 ARG 22 2HH2 ARG 22 -27.661 -1.693 0.549
174 H ARG 23 H ARG 23 -25.978 5.459 -2.591
175 HA ARG 23 HA ARG 23 -28.139 5.541 -0.829
176 HB2 ARG 23 2HB ARG 23 -26.128 6.148 0.147
177 HB3 ARG 23 3HB ARG 23 -25.676 7.198 -1.189
178 HG2 ARG 23 2HG ARG 23 -26.158 8.514 0.772
179 HG3 ARG 23 3HG ARG 23 -27.378 8.817 -0.467
180 HD2 ARG 23 2HD ARG 23 -28.474 6.737 0.931
181 HD3 ARG 23 3HD ARG 23 -27.648 7.642 2.199
182 HE ARG 23 HE ARG 23 -30.034 8.391 0.866
183 HH11 ARG 23 1HH1 ARG 23 -27.101 9.701 2.209
184 HH12 ARG 23 2HH1 ARG 23 -27.794 11.252 2.547
185 HH21 ARG 23 1HH2 ARG 23 -30.959 10.429 1.308
186 HH22 ARG 23 2HH2 ARG 23 -29.989 11.665 2.035
187 H PHE 24 H PHE 24 -27.430 7.447 -3.649
188 HA PHE 24 HA PHE 24 -29.374 9.491 -3.033
189 HB2 PHE 24 2HB PHE 24 -27.258 9.861 -4.385
190 HB3 PHE 24 3HB PHE 24 -28.045 8.988 -5.696
191 HD1 PHE 24 HD1 PHE 24 -30.012 9.938 -6.813
192 HD2 PHE 24 HD2 PHE 24 -27.867 12.099 -3.838
193 HE1 PHE 24 HE1 PHE 24 -31.090 12.022 -7.554
194 HE2 PHE 24 HE2 PHE 24 -28.942 14.186 -4.574
195 HZ PHE 24 HZ PHE 24 -30.556 14.149 -6.433
196 H THR 25 H THR 25 -29.149 6.666 -5.133
197 HA THR 25 HA THR 25 -31.806 7.109 -6.209
198 HB THR 25 HB THR 25 -29.848 6.120 -7.528
199 HG1 THR 25 HG1 THR 25 -31.885 6.009 -8.419
200 HG21 THR 25 3HG2 THR 25 -30.619 3.421 -6.690
201 HG22 THR 25 1HG2 THR 25 -29.736 4.328 -5.462
202 HG23 THR 25 2HG2 THR 25 -29.026 4.080 -7.058
Start of MODEL 8
1 H1 GLN 1 H GLN 1 2.055 0.209 0.747
2 HA GLN 1 HA GLN 1 3.309 0.535 -1.165
3 HB2 GLN 1 2HB GLN 1 1.723 -1.812 -1.229
4 HB3 GLN 1 3HB GLN 1 1.762 -1.173 -2.867
5 HG2 GLN 1 2HG GLN 1 4.077 -1.999 -1.145
6 HG3 GLN 1 3HG GLN 1 3.562 -2.682 -2.686
7 HE21 GLN 1 1HE2 GLN 1 4.056 -1.612 -4.590
8 HE22 GLN 1 2HE2 GLN 1 5.227 -0.344 -4.661
9 H ARG 2 H ARG 2 3.502 1.927 -2.811
10 HA ARG 2 HA ARG 2 1.207 3.439 -3.635
11 HB2 ARG 2 2HB ARG 2 3.955 3.613 -4.855
12 HB3 ARG 2 3HB ARG 2 2.730 4.870 -4.746
13 HG2 ARG 2 2HG ARG 2 3.272 5.410 -2.614
14 HG3 ARG 2 3HG ARG 2 3.744 3.761 -2.199
15 HD2 ARG 2 2HD ARG 2 5.754 4.109 -3.703
16 HD3 ARG 2 3HD ARG 2 5.318 5.817 -3.730
17 HE ARG 2 HE ARG 2 5.488 4.876 -1.066
18 HH11 ARG 2 1HH1 ARG 2 7.458 5.767 -3.794
19 HH12 ARG 2 2HH1 ARG 2 8.818 6.231 -2.826
20 HH21 ARG 2 1HH2 ARG 2 7.272 5.484 0.219
21 HH22 ARG 2 2HH2 ARG 2 8.712 6.068 -0.543
22 H SER 3 H SER 3 3.392 1.112 -5.160
23 HA SER 3 HA SER 3 2.430 1.300 -7.776
24 HB2 SER 3 2HB SER 3 4.497 0.060 -6.981
25 HB3 SER 3 3HB SER 3 3.421 -1.248 -6.488
26 HG SER 3 HG SER 3 4.395 -0.730 -8.912
27 H ASN 4 H ASN 4 1.311 -0.631 -5.041
28 HA ASN 4 HA ASN 4 -0.722 -1.957 -6.598
29 HB2 ASN 4 2HB ASN 4 -0.239 -1.886 -3.611
30 HB3 ASN 4 3HB ASN 4 -1.418 -2.916 -4.419
31 HD21 ASN 4 1HD2 ASN 4 -0.438 -4.253 -6.245
32 HD22 ASN 4 2HD2 ASN 4 1.064 -5.029 -5.888
33 H PHE 5 H PHE 5 -0.430 0.982 -4.881
34 HA PHE 5 HA PHE 5 -3.114 1.363 -4.089
35 HB2 PHE 5 2HB PHE 5 -1.150 2.692 -3.271
36 HB3 PHE 5 3HB PHE 5 -1.115 3.506 -4.831
37 HD1 PHE 5 HD1 PHE 5 -2.976 3.077 -1.703
38 HD2 PHE 5 HD2 PHE 5 -2.745 5.167 -5.404
39 HE1 PHE 5 HE1 PHE 5 -4.618 4.714 -0.878
40 HE2 PHE 5 HE2 PHE 5 -4.385 6.807 -4.584
41 HZ PHE 5 HZ PHE 5 -5.323 6.582 -2.318
42 H HIS 6 H HIS 6 -1.366 2.094 -7.062
43 HA HIS 6 HA HIS 6 -3.286 3.658 -8.341
44 HB2 HIS 6 2HB HIS 6 -0.988 2.000 -9.199
45 HB3 HIS 6 3HB HIS 6 -2.186 2.359 -10.439
46 HD1 HIS 6 HD1 HIS 6 -0.021 4.220 -7.932
47 HD2 HIS 6 HD2 HIS 6 -1.864 4.784 -11.613
48 HE1 HIS 6 HE1 HIS 6 0.745 6.479 -8.728
49 HA PRO 7 HA PRO 7 -5.086 -0.404 -10.251
50 HB2 PRO 7 2HB PRO 7 -4.298 -2.750 -9.133
51 HB3 PRO 7 3HB PRO 7 -3.443 -1.994 -10.483
52 HG2 PRO 7 2HG PRO 7 -2.794 -1.939 -7.561
53 HG3 PRO 7 3HG PRO 7 -1.707 -2.158 -8.945
54 HD2 PRO 7 2HD PRO 7 -1.969 0.211 -7.661
55 HD3 PRO 7 3HD PRO 7 -1.623 0.100 -9.399
56 H LEU 8 H LEU 8 -4.485 -0.126 -6.826
57 HA LEU 8 HA LEU 8 -6.853 -1.583 -6.058
58 HB2 LEU 8 2HB LEU 8 -4.859 -1.575 -4.642
59 HB3 LEU 8 3HB LEU 8 -5.008 0.169 -4.441
60 HG LEU 8 HG LEU 8 -5.796 -1.388 -2.540
61 HD11 LEU 8 1HD1 LEU 8 -6.435 1.166 -3.280
62 HD12 LEU 8 2HD1 LEU 8 -6.876 0.402 -1.753
63 HD13 LEU 8 3HD1 LEU 8 -8.022 0.418 -3.094
64 HD21 LEU 8 3HD2 LEU 8 -7.745 -2.536 -2.729
65 HD22 LEU 8 1HD2 LEU 8 -7.234 -2.620 -4.415
66 HD23 LEU 8 2HD2 LEU 8 -8.421 -1.416 -3.913
67 H ALA 9 H ALA 9 -6.008 1.681 -6.807
68 HA ALA 9 HA ALA 9 -7.997 3.074 -5.415
69 HB1 ALA 9 1HB ALA 9 -6.642 3.695 -8.033
70 HB2 ALA 9 2HB ALA 9 -7.697 4.819 -7.174
71 HB3 ALA 9 3HB ALA 9 -6.195 4.273 -6.428
72 H ALA 10 H ALA 10 -8.051 1.515 -8.591
73 HA ALA 10 HA ALA 10 -10.596 2.407 -9.391
74 HB1 ALA 10 1HB ALA 10 -10.531 0.400 -10.913
75 HB2 ALA 10 2HB ALA 10 -9.160 1.503 -11.044
76 HB3 ALA 10 3HB ALA 10 -8.990 -0.016 -10.164
77 H SER 11 H SER 11 -9.568 -0.510 -7.656
78 HA SER 11 HA SER 11 -12.096 -1.740 -7.533
79 HB2 SER 11 2HB SER 11 -9.698 -1.984 -5.704
80 HB3 SER 11 3HB SER 11 -11.112 -3.034 -5.625
81 HG SER 11 HG SER 11 -10.499 -4.018 -7.406
82 H PHE 12 H PHE 12 -10.418 0.404 -5.258
83 HA PHE 12 HA PHE 12 -12.511 0.385 -3.327
84 HB2 PHE 12 2HB PHE 12 -10.002 1.942 -3.746
85 HB3 PHE 12 3HB PHE 12 -11.215 2.607 -2.655
86 HD1 PHE 12 HD2 PHE 12 -10.526 -0.985 -3.142
87 HD2 PHE 12 HD1 PHE 12 -10.028 2.412 -0.626
88 HE1 PHE 12 HE2 PHE 12 -9.700 -2.444 -1.341
89 HE2 PHE 12 HE1 PHE 12 -9.200 0.959 1.179
90 HZ PHE 12 HZ PHE 12 -9.036 -1.473 0.823
91 H ILE 13 H ILE 13 -11.863 2.222 -6.197
92 HA ILE 13 HA ILE 13 -13.639 4.386 -5.585
93 HB ILE 13 HB ILE 13 -12.160 3.513 -8.034
94 HG12 ILE 13 2HG1 ILE 13 -11.063 4.913 -6.311
95 HG13 ILE 13 3HG1 ILE 13 -11.187 5.738 -7.860
96 HG21 ILE 13 1HG2 ILE 13 -14.449 5.459 -7.942
97 HG22 ILE 13 2HG2 ILE 13 -13.209 5.509 -9.194
98 HG23 ILE 13 3HG2 ILE 13 -14.226 4.079 -9.018
99 HD11 ILE 13 3HD1 ILE 13 -13.462 6.265 -6.144
100 HD12 ILE 13 1HD1 ILE 13 -11.931 6.739 -5.410
101 HD13 ILE 13 2HD1 ILE 13 -12.391 7.384 -6.986
102 H VAL 14 H VAL 14 -13.856 1.402 -7.467
103 HA VAL 14 HA VAL 14 -16.469 1.908 -8.481
104 HB VAL 14 HB VAL 14 -15.008 -0.720 -8.177
105 HG11 VAL 14 1HG1 VAL 14 -16.650 -1.138 -10.234
106 HG12 VAL 14 2HG1 VAL 14 -17.115 -1.476 -8.565
107 HG13 VAL 14 3HG1 VAL 14 -17.630 0.023 -9.339
108 HG21 VAL 14 3HG2 VAL 14 -14.355 1.433 -9.777
109 HG22 VAL 14 1HG2 VAL 14 -13.851 -0.239 -10.024
110 HG23 VAL 14 2HG2 VAL 14 -15.277 0.384 -10.854
111 H ARG 15 H ARG 15 -15.257 0.760 -5.478
112 HA ARG 15 HA ARG 15 -17.671 -0.614 -4.701
113 HB2 ARG 15 2HB ARG 15 -16.374 -1.486 -3.103
114 HB3 ARG 15 3HB ARG 15 -15.028 -0.610 -3.819
115 HG2 ARG 15 2HG ARG 15 -15.453 1.276 -2.334
116 HG3 ARG 15 3HG ARG 15 -16.819 0.412 -1.625
117 HD2 ARG 15 2HD ARG 15 -14.162 -0.926 -1.665
118 HD3 ARG 15 3HD ARG 15 -14.424 0.378 -0.508
119 HE ARG 15 HE ARG 15 -15.505 -2.264 -0.394
120 HH11 ARG 15 1HH1 ARG 15 -16.086 1.058 0.471
121 HH12 ARG 15 2HH1 ARG 15 -17.122 0.666 1.803
122 HH21 ARG 15 1HH2 ARG 15 -16.867 -2.793 1.357
123 HH22 ARG 15 2HH2 ARG 15 -17.565 -1.525 2.307
124 H CYS 16 H CYS 16 -16.161 2.515 -4.091
125 HA CYS 16 HA CYS 16 -18.280 3.328 -2.290
126 HB2 CYS 16 2HB CYS 16 -15.949 4.888 -3.425
127 HB3 CYS 16 3HB CYS 16 -17.047 5.465 -2.177
128 HG CYS 16 HG CYS 16 -14.459 3.337 -1.936
129 H ALA 17 H ALA 17 -17.290 3.876 -5.613
130 HA ALA 17 HA ALA 17 -18.977 6.043 -6.203
131 HB1 ALA 17 1HB ALA 17 -17.110 5.312 -7.635
132 HB2 ALA 17 2HB ALA 17 -18.039 3.880 -8.084
133 HB3 ALA 17 3HB ALA 17 -18.620 5.485 -8.530
134 H PHE 18 H PHE 18 -19.519 2.558 -6.275
135 HA PHE 18 HA PHE 18 -22.113 2.741 -7.464
136 HB2 PHE 18 2HB PHE 18 -20.471 0.719 -7.386
137 HB3 PHE 18 3HB PHE 18 -21.204 0.401 -5.817
138 HD1 PHE 18 HD2 PHE 18 -22.418 1.349 -9.221
139 HD2 PHE 18 HD1 PHE 18 -22.814 -1.218 -5.850
140 HE1 PHE 18 HE2 PHE 18 -24.277 0.182 -10.333
141 HE2 PHE 18 HE1 PHE 18 -24.674 -2.390 -6.956
142 HZ PHE 18 HZ PHE 18 -25.408 -1.690 -9.200
143 H GLU 19 H GLU 19 -20.880 2.481 -4.170
144 HA GLU 19 HA GLU 19 -23.483 2.241 -2.987
145 HB2 GLU 19 2HB GLU 19 -21.760 1.267 -1.724
146 HB3 GLU 19 3HB GLU 19 -20.714 2.668 -1.904
147 HG2 GLU 19 2HG GLU 19 -21.657 3.771 -0.179
148 HG3 GLU 19 3HG GLU 19 -23.265 3.125 -0.502
149 H HIS 20 H HIS 20 -21.365 4.843 -3.877
150 HA HIS 20 HA HIS 20 -22.551 6.848 -2.238
151 HB2 HIS 20 2HB HIS 20 -20.272 7.032 -3.218
152 HB3 HIS 20 3HB HIS 20 -21.001 7.193 -4.813
153 HD1 HIS 20 HD1 HIS 20 -20.574 9.041 -1.570
154 HD2 HIS 20 HD2 HIS 20 -21.995 9.710 -5.416
155 HE1 HIS 20 HE1 HIS 20 -20.925 11.526 -1.734
156 H SER 21 H SER 21 -23.162 5.627 -5.472
157 HA SER 21 HA SER 21 -25.089 7.692 -6.078
158 HB2 SER 21 2HB SER 21 -24.525 5.120 -7.572
159 HB3 SER 21 3HB SER 21 -25.402 6.522 -8.184
160 HG SER 21 HG SER 21 -22.789 6.864 -7.232
161 H ARG 22 H ARG 22 -25.105 4.343 -5.014
162 HA ARG 22 HA ARG 22 -27.803 3.746 -5.392
163 HB2 ARG 22 2HB ARG 22 -25.795 2.782 -3.363
164 HB3 ARG 22 3HB ARG 22 -27.436 2.155 -3.425
165 HG2 ARG 22 2HG ARG 22 -26.151 2.123 -6.025
166 HG3 ARG 22 3HG ARG 22 -25.260 1.195 -4.816
167 HD2 ARG 22 2HD ARG 22 -28.186 0.890 -5.483
168 HD3 ARG 22 3HD ARG 22 -26.893 -0.196 -5.990
169 HE ARG 22 HE ARG 22 -26.667 -0.183 -3.295
170 HH11 ARG 22 1HH1 ARG 22 -29.329 -0.736 -5.471
171 HH12 ARG 22 2HH1 ARG 22 -30.146 -1.827 -4.401
172 HH21 ARG 22 1HH2 ARG 22 -27.734 -1.618 -1.879
173 HH22 ARG 22 2HH2 ARG 22 -29.239 -2.327 -2.358
174 H ARG 23 H ARG 23 -26.167 5.326 -2.682
175 HA ARG 23 HA ARG 23 -28.320 5.458 -0.912
176 HB2 ARG 23 2HB ARG 23 -26.298 6.046 0.052
177 HB3 ARG 23 3HB ARG 23 -25.834 7.072 -1.299
178 HG2 ARG 23 2HG ARG 23 -26.986 8.876 -0.511
179 HG3 ARG 23 3HG ARG 23 -28.173 7.884 0.340
180 HD2 ARG 23 2HD ARG 23 -27.019 8.043 2.232
181 HD3 ARG 23 3HD ARG 23 -25.564 7.437 1.440
182 HE ARG 23 HE ARG 23 -26.054 10.194 0.867
183 HH11 ARG 23 1HH1 ARG 23 -24.737 7.994 3.222
184 HH12 ARG 23 2HH1 ARG 23 -23.654 9.164 3.901
185 HH21 ARG 23 1HH2 ARG 23 -24.633 11.743 1.753
186 HH22 ARG 23 2HH2 ARG 23 -23.597 11.296 3.066
187 H PHE 24 H PHE 24 -27.608 7.304 -3.766
188 HA PHE 24 HA PHE 24 -29.504 9.397 -3.165
189 HB2 PHE 24 2HB PHE 24 -27.399 9.699 -4.552
190 HB3 PHE 24 3HB PHE 24 -28.220 8.815 -5.834
191 HD1 PHE 24 HD2 PHE 24 -30.460 9.749 -6.653
192 HD2 PHE 24 HD1 PHE 24 -27.682 11.989 -4.334
193 HE1 PHE 24 HE2 PHE 24 -31.508 11.838 -7.421
194 HE2 PHE 24 HE1 PHE 24 -28.726 14.082 -5.097
195 HZ PHE 24 HZ PHE 24 -30.641 14.008 -6.644
196 H THR 25 H THR 25 -29.361 6.528 -5.213
197 HA THR 25 HA THR 25 -32.027 7.001 -6.259
198 HB THR 25 HB THR 25 -30.101 5.954 -7.586
199 HG1 THR 25 HG1 THR 25 -31.933 5.719 -8.666
200 HG21 THR 25 3HG2 THR 25 -31.006 3.366 -6.386
201 HG22 THR 25 1HG2 THR 25 -29.710 4.284 -5.621
202 HG23 THR 25 2HG2 THR 25 -29.533 3.727 -7.286
Start of MODEL 9
1 H1 GLN 1 H GLN 1 4.238 -0.529 -0.882
2 HA GLN 1 HA GLN 1 2.159 -1.057 -1.862
3 HB2 GLN 1 2HB GLN 1 2.107 -0.315 0.645
4 HB3 GLN 1 3HB GLN 1 1.240 1.082 0.022
5 HG2 GLN 1 2HG GLN 1 -0.639 -0.074 -0.022
6 HG3 GLN 1 3HG GLN 1 0.091 -1.260 -1.103
7 HE21 GLN 1 1HE2 GLN 1 -1.551 -1.016 1.642
8 HE22 GLN 1 2HE2 GLN 1 -0.937 -2.376 2.512
9 H ARG 2 H ARG 2 3.527 1.635 -2.869
10 HA ARG 2 HA ARG 2 1.275 3.190 -3.721
11 HB2 ARG 2 2HB ARG 2 4.044 3.327 -4.895
12 HB3 ARG 2 3HB ARG 2 2.841 4.605 -4.790
13 HG2 ARG 2 2HG ARG 2 3.380 5.129 -2.660
14 HG3 ARG 2 3HG ARG 2 3.766 3.461 -2.232
15 HD2 ARG 2 2HD ARG 2 5.913 4.037 -2.361
16 HD3 ARG 2 3HD ARG 2 5.690 4.150 -4.106
17 HE ARG 2 HE ARG 2 5.942 6.334 -2.236
18 HH11 ARG 2 1HH1 ARG 2 4.897 5.337 -5.403
19 HH12 ARG 2 2HH1 ARG 2 5.002 6.927 -6.082
20 HH21 ARG 2 1HH2 ARG 2 6.084 8.433 -3.117
21 HH22 ARG 2 2HH2 ARG 2 5.678 8.688 -4.781
22 H SER 3 H SER 3 3.443 0.841 -5.237
23 HA SER 3 HA SER 3 2.525 1.076 -7.866
24 HB2 SER 3 2HB SER 3 3.569 -1.401 -6.472
25 HB3 SER 3 3HB SER 3 3.471 -1.165 -8.216
26 HG SER 3 HG SER 3 4.790 0.869 -7.526
27 H ASN 4 H ASN 4 1.333 -0.868 -5.172
28 HA ASN 4 HA ASN 4 -0.697 -2.141 -6.776
29 HB2 ASN 4 2HB ASN 4 -0.258 -2.116 -3.781
30 HB3 ASN 4 3HB ASN 4 -1.442 -3.115 -4.619
31 HD21 ASN 4 1HD2 ASN 4 -0.077 -4.703 -3.333
32 HD22 ASN 4 2HD2 ASN 4 1.260 -5.408 -4.170
33 H PHE 5 H PHE 5 -0.383 0.771 -5.016
34 HA PHE 5 HA PHE 5 -3.072 1.186 -4.261
35 HB2 PHE 5 2HB PHE 5 -1.102 2.471 -3.393
36 HB3 PHE 5 3HB PHE 5 -1.024 3.303 -4.942
37 HD1 PHE 5 HD1 PHE 5 -3.448 2.557 -2.210
38 HD2 PHE 5 HD2 PHE 5 -2.115 5.313 -5.167
39 HE1 PHE 5 HE1 PHE 5 -5.076 4.213 -1.396
40 HE2 PHE 5 HE2 PHE 5 -3.739 6.974 -4.357
41 HZ PHE 5 HZ PHE 5 -5.222 6.425 -2.468
42 H HIS 6 H HIS 6 -1.266 1.926 -7.196
43 HA HIS 6 HA HIS 6 -3.139 3.540 -8.484
44 HB2 HIS 6 2HB HIS 6 -0.857 1.853 -9.328
45 HB3 HIS 6 3HB HIS 6 -2.029 2.248 -10.582
46 HD1 HIS 6 HD1 HIS 6 -2.628 5.041 -10.446
47 HD2 HIS 6 HD2 HIS 6 1.119 3.677 -9.279
48 HE1 HIS 6 HE1 HIS 6 -1.111 7.042 -10.583
49 HA PRO 7 HA PRO 7 -4.979 -0.466 -10.474
50 HB2 PRO 7 2HB PRO 7 -4.249 -2.839 -9.375
51 HB3 PRO 7 3HB PRO 7 -3.361 -2.081 -10.702
52 HG2 PRO 7 2HG PRO 7 -2.756 -2.075 -7.770
53 HG3 PRO 7 3HG PRO 7 -1.652 -2.295 -9.140
54 HD2 PRO 7 2HD PRO 7 -1.893 0.061 -7.829
55 HD3 PRO 7 3HD PRO 7 -1.522 -0.033 -9.563
56 H LEU 8 H LEU 8 -4.425 -0.246 -7.036
57 HA LEU 8 HA LEU 8 -6.833 -1.668 -6.326
58 HB2 LEU 8 2HB LEU 8 -4.995 -1.819 -4.817
59 HB3 LEU 8 3HB LEU 8 -4.844 -0.065 -4.736
60 HG LEU 8 HG LEU 8 -7.387 -1.287 -3.799
61 HD11 LEU 8 1HD1 LEU 8 -4.824 -2.060 -2.771
62 HD12 LEU 8 2HD1 LEU 8 -6.433 -2.585 -2.277
63 HD13 LEU 8 3HD1 LEU 8 -5.716 -1.145 -1.555
64 HD21 LEU 8 3HD2 LEU 8 -7.484 0.984 -3.565
65 HD22 LEU 8 1HD2 LEU 8 -5.748 1.143 -3.294
66 HD23 LEU 8 2HD2 LEU 8 -6.791 0.550 -2.001
67 H ALA 9 H ALA 9 -5.923 1.581 -7.040
68 HA ALA 9 HA ALA 9 -7.877 3.013 -5.644
69 HB1 ALA 9 1HB ALA 9 -6.519 3.598 -8.268
70 HB2 ALA 9 2HB ALA 9 -7.559 4.744 -7.422
71 HB3 ALA 9 3HB ALA 9 -6.067 4.183 -6.667
72 H ALA 10 H ALA 10 -7.985 1.460 -8.824
73 HA ALA 10 HA ALA 10 -10.518 2.399 -9.603
74 HB1 ALA 10 1HB ALA 10 -10.504 0.383 -11.120
75 HB2 ALA 10 2HB ALA 10 -9.121 1.467 -11.269
76 HB3 ALA 10 3HB ALA 10 -8.959 -0.051 -10.387
77 H SER 11 H SER 11 -9.536 -0.540 -7.877
78 HA SER 11 HA SER 11 -12.092 -1.711 -7.731
79 HB2 SER 11 2HB SER 11 -9.677 -2.023 -5.934
80 HB3 SER 11 3HB SER 11 -11.116 -3.038 -5.842
81 HG SER 11 HG SER 11 -9.232 -2.829 -7.935
82 H PHE 12 H PHE 12 -10.335 0.389 -5.476
83 HA PHE 12 HA PHE 12 -12.397 0.408 -3.512
84 HB2 PHE 12 2HB PHE 12 -9.910 2.016 -3.982
85 HB3 PHE 12 3HB PHE 12 -11.076 2.543 -2.774
86 HD1 PHE 12 HD1 PHE 12 -9.683 -0.775 -3.769
87 HD2 PHE 12 HD2 PHE 12 -10.368 2.045 -0.655
88 HE1 PHE 12 HE1 PHE 12 -8.696 -2.335 -2.143
89 HE2 PHE 12 HE2 PHE 12 -9.381 0.490 0.975
90 HZ PHE 12 HZ PHE 12 -8.542 -1.703 0.232
91 H ILE 13 H ILE 13 -11.763 2.234 -6.391
92 HA ILE 13 HA ILE 13 -13.490 4.431 -5.746
93 HB ILE 13 HB ILE 13 -12.062 3.540 -8.219
94 HG12 ILE 13 2HG1 ILE 13 -10.909 4.907 -6.507
95 HG13 ILE 13 3HG1 ILE 13 -11.043 5.746 -8.049
96 HG21 ILE 13 1HG2 ILE 13 -14.308 5.532 -8.083
97 HG22 ILE 13 2HG2 ILE 13 -13.086 5.563 -9.353
98 HG23 ILE 13 3HG2 ILE 13 -14.130 4.154 -9.169
99 HD11 ILE 13 3HD1 ILE 13 -12.196 7.410 -7.143
100 HD12 ILE 13 1HD1 ILE 13 -13.280 6.307 -6.295
101 HD13 ILE 13 2HD1 ILE 13 -11.727 6.743 -5.580
102 H VAL 14 H VAL 14 -13.783 1.457 -7.635
103 HA VAL 14 HA VAL 14 -16.400 2.013 -8.613
104 HB VAL 14 HB VAL 14 -14.981 -0.641 -8.338
105 HG11 VAL 14 1HG1 VAL 14 -17.643 0.104 -9.294
106 HG12 VAL 14 2HG1 VAL 14 -16.714 -0.868 -10.437
107 HG13 VAL 14 3HG1 VAL 14 -17.011 -1.468 -8.805
108 HG21 VAL 14 3HG2 VAL 14 -14.405 1.543 -9.994
109 HG22 VAL 14 1HG2 VAL 14 -13.782 -0.101 -10.130
110 HG23 VAL 14 2HG2 VAL 14 -15.230 0.370 -11.020
111 H ARG 15 H ARG 15 -15.169 0.832 -5.630
112 HA ARG 15 HA ARG 15 -17.595 -0.504 -4.826
113 HB2 ARG 15 2HB ARG 15 -16.292 -1.403 -3.248
114 HB3 ARG 15 3HB ARG 15 -14.940 -0.547 -3.979
115 HG2 ARG 15 2HG ARG 15 -15.315 1.341 -2.482
116 HG3 ARG 15 3HG ARG 15 -16.685 0.497 -1.758
117 HD2 ARG 15 2HD ARG 15 -14.167 -1.020 -1.824
118 HD3 ARG 15 3HD ARG 15 -14.151 0.415 -0.800
119 HE ARG 15 HE ARG 15 -16.481 -1.060 -0.274
120 HH11 ARG 15 1HH1 ARG 15 -13.032 -1.249 0.159
121 HH12 ARG 15 2HH1 ARG 15 -13.133 -2.228 1.585
122 HH21 ARG 15 1HH2 ARG 15 -16.628 -2.348 1.603
123 HH22 ARG 15 2HH2 ARG 15 -15.179 -2.854 2.405
124 H CYS 16 H CYS 16 -16.025 2.598 -4.225
125 HA CYS 16 HA CYS 16 -18.108 3.438 -2.395
126 HB2 CYS 16 2HB CYS 16 -15.765 4.964 -3.553
127 HB3 CYS 16 3HB CYS 16 -16.838 5.555 -2.290
128 HG CYS 16 HG CYS 16 -14.411 3.194 -2.093
129 H ALA 17 H ALA 17 -17.151 3.982 -5.728
130 HA ALA 17 HA ALA 17 -18.809 6.179 -6.290
131 HB1 ALA 17 1HB ALA 17 -18.492 5.624 -8.622
132 HB2 ALA 17 2HB ALA 17 -16.973 5.421 -7.749
133 HB3 ALA 17 3HB ALA 17 -17.931 4.008 -8.190
134 H PHE 18 H PHE 18 -19.410 2.704 -6.366
135 HA PHE 18 HA PHE 18 -22.015 2.934 -7.522
136 HB2 PHE 18 2HB PHE 18 -20.407 0.885 -7.471
137 HB3 PHE 18 3HB PHE 18 -21.124 0.574 -5.894
138 HD1 PHE 18 HD1 PHE 18 -23.601 0.217 -5.735
139 HD2 PHE 18 HD2 PHE 18 -21.528 0.317 -9.451
140 HE1 PHE 18 HE1 PHE 18 -25.496 -0.918 -6.819
141 HE2 PHE 18 HE2 PHE 18 -23.419 -0.817 -10.541
142 HZ PHE 18 HZ PHE 18 -25.407 -1.436 -9.226
143 H GLU 19 H GLU 19 -20.746 2.643 -4.244
144 HA GLU 19 HA GLU 19 -23.338 2.444 -3.030
145 HB2 GLU 19 2HB GLU 19 -21.616 1.436 -1.791
146 HB3 GLU 19 3HB GLU 19 -20.548 2.820 -1.979
147 HG2 GLU 19 2HG GLU 19 -21.452 3.932 -0.240
148 HG3 GLU 19 3HG GLU 19 -23.075 3.315 -0.545
149 H HIS 20 H HIS 20 -21.187 5.012 -3.938
150 HA HIS 20 HA HIS 20 -22.319 7.031 -2.278
151 HB2 HIS 20 2HB HIS 20 -20.048 7.179 -3.281
152 HB3 HIS 20 3HB HIS 20 -20.790 7.360 -4.868
153 HD1 HIS 20 HD1 HIS 20 -22.228 9.587 -5.215
154 HD2 HIS 20 HD2 HIS 20 -19.809 9.493 -1.838
155 HE1 HIS 20 HE1 HIS 20 -22.046 11.976 -4.451
156 H SER 21 H SER 21 -22.985 5.831 -5.509
157 HA SER 21 HA SER 21 -24.881 7.932 -6.090
158 HB2 SER 21 2HB SER 21 -24.379 5.353 -7.594
159 HB3 SER 21 3HB SER 21 -25.239 6.771 -8.195
160 HG SER 21 HG SER 21 -22.617 7.086 -7.268
161 H ARG 22 H ARG 22 -24.948 4.583 -5.032
162 HA ARG 22 HA ARG 22 -27.662 4.039 -5.382
163 HB2 ARG 22 2HB ARG 22 -25.649 3.027 -3.380
164 HB3 ARG 22 3HB ARG 22 -27.303 2.432 -3.426
165 HG2 ARG 22 2HG ARG 22 -26.048 2.386 -6.040
166 HG3 ARG 22 3HG ARG 22 -25.162 1.437 -4.845
167 HD2 ARG 22 2HD ARG 22 -28.126 1.162 -5.019
168 HD3 ARG 22 3HD ARG 22 -27.119 0.370 -6.230
169 HE ARG 22 HE ARG 22 -26.251 -0.173 -3.562
170 HH11 ARG 22 1HH1 ARG 22 -28.543 -1.077 -6.021
171 HH12 ARG 22 2HH1 ARG 22 -28.756 -2.686 -5.416
172 HH21 ARG 22 1HH2 ARG 22 -26.522 -2.290 -2.755
173 HH22 ARG 22 2HH2 ARG 22 -27.606 -3.375 -3.558
174 H ARG 23 H ARG 23 -25.963 5.571 -2.682
175 HA ARG 23 HA ARG 23 -28.097 5.740 -0.891
176 HB2 ARG 23 2HB ARG 23 -26.029 6.262 0.035
177 HB3 ARG 23 3HB ARG 23 -25.590 7.328 -1.293
178 HG2 ARG 23 2HG ARG 23 -26.709 9.112 -0.419
179 HG3 ARG 23 3HG ARG 23 -27.888 8.102 0.419
180 HD2 ARG 23 2HD ARG 23 -25.148 7.746 1.369
181 HD3 ARG 23 3HD ARG 23 -25.763 9.384 1.585
182 HE ARG 23 HE ARG 23 -27.699 7.554 2.472
183 HH11 ARG 23 1HH1 ARG 23 -24.552 8.764 3.341
184 HH12 ARG 23 2HH1 ARG 23 -24.772 8.492 5.038
185 HH21 ARG 23 1HH2 ARG 23 -28.000 7.190 4.703
186 HH22 ARG 23 2HH2 ARG 23 -26.734 7.596 5.811
187 H PHE 24 H PHE 24 -27.401 7.547 -3.762
188 HA PHE 24 HA PHE 24 -29.197 9.715 -3.131
189 HB2 PHE 24 2HB PHE 24 -27.134 9.918 -4.594
190 HB3 PHE 24 3HB PHE 24 -28.029 9.045 -5.833
191 HD1 PHE 24 HD2 PHE 24 -30.332 10.050 -6.492
192 HD2 PHE 24 HD1 PHE 24 -27.255 12.218 -4.505
193 HE1 PHE 24 HE2 PHE 24 -31.330 12.164 -7.260
194 HE2 PHE 24 HE1 PHE 24 -28.248 14.335 -5.269
195 HZ PHE 24 HZ PHE 24 -30.288 14.310 -6.650
196 H THR 25 H THR 25 -29.245 6.794 -5.101
197 HA THR 25 HA THR 25 -31.524 7.142 -6.588
198 HB THR 25 HB THR 25 -29.889 5.080 -6.351
199 HG1 THR 25 HG1 THR 25 -32.627 5.031 -7.116
200 HG21 THR 25 3HG2 THR 25 -30.539 3.347 -5.009
201 HG22 THR 25 1HG2 THR 25 -32.237 3.820 -5.031
202 HG23 THR 25 2HG2 THR 25 -31.091 4.695 -4.015
Start of MODEL 10
1 H1 GLN 1 H GLN 1 2.042 -0.113 0.614
2 HA GLN 1 HA GLN 1 3.326 0.390 -1.294
3 HB2 GLN 1 2HB GLN 1 1.455 -1.843 -1.544
4 HB3 GLN 1 3HB GLN 1 2.024 -1.244 -3.096
5 HG2 GLN 1 2HG GLN 1 4.047 -1.705 -0.983
6 HG3 GLN 1 3HG GLN 1 3.306 -3.118 -1.733
7 HE21 GLN 1 1HE2 GLN 1 3.567 -3.439 -3.975
8 HE22 GLN 1 2HE2 GLN 1 4.873 -2.706 -4.836
9 H ARG 2 H ARG 2 3.519 1.817 -2.904
10 HA ARG 2 HA ARG 2 1.232 3.354 -3.703
11 HB2 ARG 2 2HB ARG 2 3.979 3.530 -4.924
12 HB3 ARG 2 3HB ARG 2 2.762 4.792 -4.795
13 HG2 ARG 2 2HG ARG 2 3.309 5.298 -2.656
14 HG3 ARG 2 3HG ARG 2 3.772 3.640 -2.265
15 HD2 ARG 2 2HD ARG 2 5.782 3.999 -3.766
16 HD3 ARG 2 3HD ARG 2 5.357 5.710 -3.767
17 HE ARG 2 HE ARG 2 6.648 4.272 -1.677
18 HH11 ARG 2 1HH1 ARG 2 4.438 6.885 -2.313
19 HH12 ARG 2 2HH1 ARG 2 4.808 7.729 -0.846
20 HH21 ARG 2 1HH2 ARG 2 7.144 5.373 0.258
21 HH22 ARG 2 2HH2 ARG 2 6.348 6.868 0.616
22 H SER 3 H SER 3 3.401 1.037 -5.265
23 HA SER 3 HA SER 3 2.438 1.270 -7.877
24 HB2 SER 3 2HB SER 3 4.498 0.006 -7.103
25 HB3 SER 3 3HB SER 3 3.415 -1.302 -6.628
26 HG SER 3 HG SER 3 3.546 -0.204 -9.241
27 H ASN 4 H ASN 4 1.311 -0.695 -5.169
28 HA ASN 4 HA ASN 4 -0.731 -1.986 -6.744
29 HB2 ASN 4 2HB ASN 4 -0.246 -1.963 -3.757
30 HB3 ASN 4 3HB ASN 4 -1.431 -2.974 -4.579
31 HD21 ASN 4 1HD2 ASN 4 0.792 -3.802 -2.953
32 HD22 ASN 4 2HD2 ASN 4 1.806 -4.779 -3.955
33 H PHE 5 H PHE 5 -0.420 0.925 -4.983
34 HA PHE 5 HA PHE 5 -3.101 1.310 -4.182
35 HB2 PHE 5 2HB PHE 5 -1.129 2.615 -3.346
36 HB3 PHE 5 3HB PHE 5 -1.090 3.452 -4.895
37 HD1 PHE 5 HD2 PHE 5 -3.504 2.645 -2.167
38 HD2 PHE 5 HD1 PHE 5 -2.157 5.475 -5.047
39 HE1 PHE 5 HE2 PHE 5 -5.136 4.279 -1.319
40 HE2 PHE 5 HE1 PHE 5 -3.786 7.115 -4.202
41 HZ PHE 5 HZ PHE 5 -5.279 6.517 -2.336
42 H HIS 6 H HIS 6 -1.353 2.075 -7.146
43 HA HIS 6 HA HIS 6 -3.265 3.669 -8.399
44 HB2 HIS 6 2HB HIS 6 -0.978 2.011 -9.285
45 HB3 HIS 6 3HB HIS 6 -2.175 2.395 -10.518
46 HD1 HIS 6 HD1 HIS 6 0.901 3.529 -9.910
47 HD2 HIS 6 HD2 HIS 6 -2.743 5.516 -9.723
48 HE1 HIS 6 HE1 HIS 6 1.451 5.968 -10.184
49 HA PRO 7 HA PRO 7 -5.090 -0.354 -10.368
50 HB2 PRO 7 2HB PRO 7 -4.315 -2.720 -9.286
51 HB3 PRO 7 3HB PRO 7 -3.457 -1.949 -10.626
52 HG2 PRO 7 2HG PRO 7 -2.804 -1.941 -7.704
53 HG3 PRO 7 3HG PRO 7 -1.720 -2.146 -9.092
54 HD2 PRO 7 2HD PRO 7 -1.968 0.205 -7.773
55 HD3 PRO 7 3HD PRO 7 -1.624 0.118 -9.512
56 H LEU 8 H LEU 8 -4.484 -0.130 -6.940
57 HA LEU 8 HA LEU 8 -6.860 -1.585 -6.191
58 HB2 LEU 8 2HB LEU 8 -4.864 -1.610 -4.778
59 HB3 LEU 8 3HB LEU 8 -5.002 0.132 -4.550
60 HG LEU 8 HG LEU 8 -5.798 -1.448 -2.672
61 HD11 LEU 8 1HD1 LEU 8 -6.865 0.337 -1.858
62 HD12 LEU 8 2HD1 LEU 8 -8.013 0.379 -3.196
63 HD13 LEU 8 3HD1 LEU 8 -6.422 1.120 -3.374
64 HD21 LEU 8 3HD2 LEU 8 -7.246 -2.643 -4.562
65 HD22 LEU 8 1HD2 LEU 8 -8.425 -1.440 -4.040
66 HD23 LEU 8 2HD2 LEU 8 -7.755 -2.581 -2.874
67 H ALA 9 H ALA 9 -5.996 1.685 -6.892
68 HA ALA 9 HA ALA 9 -7.976 3.069 -5.477
69 HB1 ALA 9 1HB ALA 9 -6.620 3.720 -8.087
70 HB2 ALA 9 2HB ALA 9 -7.668 4.837 -7.212
71 HB3 ALA 9 3HB ALA 9 -6.169 4.274 -6.474
72 H ALA 10 H ALA 10 -8.043 1.557 -8.675
73 HA ALA 10 HA ALA 10 -10.584 2.476 -9.458
74 HB1 ALA 10 1HB ALA 10 -10.533 0.491 -11.010
75 HB2 ALA 10 2HB ALA 10 -9.157 1.588 -11.127
76 HB3 ALA 10 3HB ALA 10 -8.992 0.055 -10.270
77 H SER 11 H SER 11 -9.571 -0.473 -7.769
78 HA SER 11 HA SER 11 -12.105 -1.690 -7.660
79 HB2 SER 11 2HB SER 11 -9.706 -1.975 -5.838
80 HB3 SER 11 3HB SER 11 -11.127 -3.018 -5.774
81 HG SER 11 HG SER 11 -9.611 -2.639 -8.134
82 H PHE 12 H PHE 12 -10.411 0.411 -5.356
83 HA PHE 12 HA PHE 12 -12.502 0.375 -3.423
84 HB2 PHE 12 2HB PHE 12 -9.985 1.923 -3.822
85 HB3 PHE 12 3HB PHE 12 -11.192 2.579 -2.720
86 HD1 PHE 12 HD1 PHE 12 -10.524 -1.008 -3.260
87 HD2 PHE 12 HD2 PHE 12 -10.006 2.347 -0.694
88 HE1 PHE 12 HE1 PHE 12 -9.705 -2.499 -1.482
89 HE2 PHE 12 HE2 PHE 12 -9.185 0.863 1.088
90 HZ PHE 12 HZ PHE 12 -9.033 -1.564 0.695
91 H ILE 13 H ILE 13 -11.848 2.251 -6.265
92 HA ILE 13 HA ILE 13 -13.611 4.416 -5.619
93 HB ILE 13 HB ILE 13 -12.140 3.570 -8.083
94 HG12 ILE 13 2HG1 ILE 13 -11.032 4.938 -6.341
95 HG13 ILE 13 3HG1 ILE 13 -11.155 5.788 -7.878
96 HG21 ILE 13 1HG2 ILE 13 -14.418 5.528 -7.958
97 HG22 ILE 13 2HG2 ILE 13 -13.179 5.590 -9.211
98 HG23 ILE 13 3HG2 ILE 13 -14.204 4.163 -9.055
99 HD11 ILE 13 3HD1 ILE 13 -11.886 6.755 -5.411
100 HD12 ILE 13 1HD1 ILE 13 -12.345 7.428 -6.975
101 HD13 ILE 13 2HD1 ILE 13 -13.423 6.302 -6.148
102 H VAL 14 H VAL 14 -13.847 1.461 -7.545
103 HA VAL 14 HA VAL 14 -16.458 1.997 -8.547
104 HB VAL 14 HB VAL 14 -15.012 -0.643 -8.285
105 HG11 VAL 14 1HG1 VAL 14 -16.719 -0.863 -10.408
106 HG12 VAL 14 2HG1 VAL 14 -17.025 -1.490 -8.787
107 HG13 VAL 14 3HG1 VAL 14 -17.672 0.081 -9.262
108 HG21 VAL 14 3HG2 VAL 14 -13.792 -0.060 -10.049
109 HG22 VAL 14 1HG2 VAL 14 -15.238 0.382 -10.957
110 HG23 VAL 14 2HG2 VAL 14 -14.453 1.570 -9.916
111 H ARG 15 H ARG 15 -15.249 0.797 -5.563
112 HA ARG 15 HA ARG 15 -17.670 -0.573 -4.803
113 HB2 ARG 15 2HB ARG 15 -16.376 -1.479 -3.222
114 HB3 ARG 15 3HB ARG 15 -15.025 -0.600 -3.926
115 HG2 ARG 15 2HG ARG 15 -15.437 1.265 -2.411
116 HG3 ARG 15 3HG ARG 15 -16.807 0.398 -1.713
117 HD2 ARG 15 2HD ARG 15 -14.365 -1.184 -1.745
118 HD3 ARG 15 3HD ARG 15 -14.194 0.312 -0.827
119 HE ARG 15 HE ARG 15 -15.774 -1.982 -0.124
120 HH11 ARG 15 1HH1 ARG 15 -15.375 1.451 0.288
121 HH12 ARG 15 2HH1 ARG 15 -16.195 1.495 1.813
122 HH21 ARG 15 1HH2 ARG 15 -16.855 -1.937 1.884
123 HH22 ARG 15 2HH2 ARG 15 -17.036 -0.433 2.721
124 H CYS 16 H CYS 16 -16.140 2.537 -4.149
125 HA CYS 16 HA CYS 16 -18.250 3.335 -2.332
126 HB2 CYS 16 2HB CYS 16 -15.911 4.897 -3.448
127 HB3 CYS 16 3HB CYS 16 -17.004 5.463 -2.190
128 HG CYS 16 HG CYS 16 -14.453 3.275 -1.988
129 H ALA 17 H ALA 17 -17.266 3.924 -5.649
130 HA ALA 17 HA ALA 17 -18.945 6.109 -6.200
131 HB1 ALA 17 1HB ALA 17 -18.013 3.980 -8.121
132 HB2 ALA 17 2HB ALA 17 -18.585 5.597 -8.534
133 HB3 ALA 17 3HB ALA 17 -17.077 5.397 -7.643
134 H PHE 18 H PHE 18 -19.494 2.628 -6.324
135 HA PHE 18 HA PHE 18 -22.079 2.825 -7.525
136 HB2 PHE 18 2HB PHE 18 -20.452 0.798 -7.457
137 HB3 PHE 18 3HB PHE 18 -21.174 0.477 -5.884
138 HD1 PHE 18 HD2 PHE 18 -21.958 0.897 -9.478
139 HD2 PHE 18 HD1 PHE 18 -23.240 -0.604 -5.707
140 HE1 PHE 18 HE2 PHE 18 -23.825 -0.266 -10.580
141 HE2 PHE 18 HE1 PHE 18 -25.109 -1.770 -6.803
142 HZ PHE 18 HZ PHE 18 -25.404 -1.601 -9.242
143 H GLU 19 H GLU 19 -20.869 2.570 -4.225
144 HA GLU 19 HA GLU 19 -23.492 2.339 -3.069
145 HB2 GLU 19 2HB GLU 19 -21.797 1.315 -1.804
146 HB3 GLU 19 3HB GLU 19 -20.727 2.702 -1.951
147 HG2 GLU 19 2HG GLU 19 -21.674 3.795 -0.221
148 HG3 GLU 19 3HG GLU 19 -23.287 3.176 -0.570
149 H HIS 20 H HIS 20 -21.324 4.911 -3.914
150 HA HIS 20 HA HIS 20 -22.470 6.919 -2.255
151 HB2 HIS 20 2HB HIS 20 -20.196 7.083 -3.237
152 HB3 HIS 20 3HB HIS 20 -20.920 7.253 -4.833
153 HD1 HIS 20 HD1 HIS 20 -21.353 9.033 -1.486
154 HD2 HIS 20 HD2 HIS 20 -20.999 9.847 -5.545
155 HE1 HIS 20 HE1 HIS 20 -21.448 11.539 -1.681
156 H SER 21 H SER 21 -23.100 5.766 -5.516
157 HA SER 21 HA SER 21 -25.022 7.858 -6.056
158 HB2 SER 21 2HB SER 21 -24.445 5.345 -7.643
159 HB3 SER 21 3HB SER 21 -25.329 6.764 -8.205
160 HG SER 21 HG SER 21 -22.754 7.166 -7.222
161 H ARG 22 H ARG 22 -25.029 4.489 -5.079
162 HA ARG 22 HA ARG 22 -27.703 3.855 -5.509
163 HB2 ARG 22 2HB ARG 22 -25.666 2.432 -4.625
164 HB3 ARG 22 3HB ARG 22 -26.321 2.864 -3.051
165 HG2 ARG 22 2HG ARG 22 -28.504 1.916 -3.762
166 HG3 ARG 22 3HG ARG 22 -27.728 1.369 -5.250
167 HD2 ARG 22 2HD ARG 22 -26.277 -0.086 -4.056
168 HD3 ARG 22 3HD ARG 22 -26.740 0.620 -2.508
169 HE ARG 22 HE ARG 22 -29.053 -0.394 -3.638
170 HH11 ARG 22 1HH1 ARG 22 -25.977 -1.612 -2.554
171 HH12 ARG 22 2HH1 ARG 22 -26.599 -3.170 -2.123
172 HH21 ARG 22 1HH2 ARG 22 -29.884 -2.442 -3.076
173 HH22 ARG 22 2HH2 ARG 22 -28.821 -3.642 -2.422
174 H ARG 23 H ARG 23 -26.165 5.454 -2.753
175 HA ARG 23 HA ARG 23 -28.362 5.547 -1.038
176 HB2 ARG 23 2HB ARG 23 -26.386 6.180 -0.017
177 HB3 ARG 23 3HB ARG 23 -25.893 7.197 -1.364
178 HG2 ARG 23 2HG ARG 23 -27.089 8.996 -0.630
179 HG3 ARG 23 3HG ARG 23 -28.289 8.000 0.196
180 HD2 ARG 23 2HD ARG 23 -26.985 9.119 1.858
181 HD3 ARG 23 3HD ARG 23 -26.541 7.412 1.874
182 HE ARG 23 HE ARG 23 -24.705 8.495 0.221
183 HH11 ARG 23 1HH1 ARG 23 -25.801 9.323 3.420
184 HH12 ARG 23 2HH1 ARG 23 -24.277 9.982 3.913
185 HH21 ARG 23 1HH2 ARG 23 -22.693 9.361 0.859
186 HH22 ARG 23 2HH2 ARG 23 -22.510 10.004 2.455
187 H PHE 24 H PHE 24 -27.604 7.427 -3.863
188 HA PHE 24 HA PHE 24 -29.572 9.466 -3.310
189 HB2 PHE 24 2HB PHE 24 -27.429 9.834 -4.620
190 HB3 PHE 24 3HB PHE 24 -28.183 8.942 -5.938
191 HD1 PHE 24 HD1 PHE 24 -30.440 9.825 -6.797
192 HD2 PHE 24 HD2 PHE 24 -27.753 12.117 -4.422
193 HE1 PHE 24 HE1 PHE 24 -31.515 11.894 -7.584
194 HE2 PHE 24 HE2 PHE 24 -28.824 14.189 -5.204
195 HZ PHE 24 HZ PHE 24 -30.708 14.080 -6.786
196 H THR 25 H THR 25 -29.286 6.621 -5.375
197 HA THR 25 HA THR 25 -31.923 7.037 -6.511
198 HB THR 25 HB THR 25 -29.932 6.046 -7.778
199 HG1 THR 25 HG1 THR 25 -32.569 5.101 -7.722
200 HG21 THR 25 3HG2 THR 25 -29.108 4.017 -7.270
201 HG22 THR 25 1HG2 THR 25 -30.704 3.350 -6.929
202 HG23 THR 25 2HG2 THR 25 -29.853 4.276 -5.693
Start of MODEL 11
1 H1 GLN 1 H GLN 1 2.089 0.035 0.669
2 HA GLN 1 HA GLN 1 3.361 0.399 -1.217
3 HB2 GLN 1 2HB GLN 1 1.970 -1.991 -1.297
4 HB3 GLN 1 3HB GLN 1 1.688 -1.306 -2.893
5 HG2 GLN 1 2HG GLN 1 3.625 -2.256 -3.438
6 HG3 GLN 1 3HG GLN 1 4.365 -0.907 -2.577
7 HE21 GLN 1 1HE2 GLN 1 3.122 -4.182 -2.108
8 HE22 GLN 1 2HE2 GLN 1 4.243 -4.620 -0.869
9 H ARG 2 H ARG 2 3.569 1.822 -2.840
10 HA ARG 2 HA ARG 2 1.281 3.365 -3.628
11 HB2 ARG 2 2HB ARG 2 4.032 3.558 -4.839
12 HB3 ARG 2 3HB ARG 2 2.812 4.817 -4.699
13 HG2 ARG 2 2HG ARG 2 3.353 5.300 -2.553
14 HG3 ARG 2 3HG ARG 2 3.818 3.638 -2.180
15 HD2 ARG 2 2HD ARG 2 5.872 4.650 -2.173
16 HD3 ARG 2 3HD ARG 2 5.771 4.154 -3.862
17 HE ARG 2 HE ARG 2 5.725 6.359 -4.463
18 HH11 ARG 2 1HH1 ARG 2 4.979 6.094 -1.073
19 HH12 ARG 2 2HH1 ARG 2 5.010 7.805 -0.800
20 HH21 ARG 2 1HH2 ARG 2 5.769 8.613 -4.116
21 HH22 ARG 2 2HH2 ARG 2 5.459 9.237 -2.531
22 H SER 3 H SER 3 3.458 1.069 -5.209
23 HA SER 3 HA SER 3 2.501 1.329 -7.821
24 HB2 SER 3 2HB SER 3 4.561 0.059 -7.055
25 HB3 SER 3 3HB SER 3 3.478 -1.256 -6.599
26 HG SER 3 HG SER 3 4.517 -1.029 -8.885
27 H ASN 4 H ASN 4 1.370 -0.668 -5.138
28 HA ASN 4 HA ASN 4 -0.667 -1.944 -6.732
29 HB2 ASN 4 2HB ASN 4 -0.188 -1.953 -3.744
30 HB3 ASN 4 3HB ASN 4 -1.371 -2.956 -4.579
31 HD21 ASN 4 1HD2 ASN 4 0.009 -4.561 -3.354
32 HD22 ASN 4 2HD2 ASN 4 1.352 -5.231 -4.210
33 H PHE 5 H PHE 5 -0.364 0.948 -4.938
34 HA PHE 5 HA PHE 5 -3.048 1.321 -4.140
35 HB2 PHE 5 2HB PHE 5 -1.080 2.619 -3.284
36 HB3 PHE 5 3HB PHE 5 -1.037 3.472 -4.824
37 HD1 PHE 5 HD2 PHE 5 -3.911 2.478 -2.677
38 HD2 PHE 5 HD1 PHE 5 -1.654 5.652 -4.393
39 HE1 PHE 5 HE2 PHE 5 -5.547 4.102 -1.817
40 HE2 PHE 5 HE1 PHE 5 -3.286 7.281 -3.535
41 HZ PHE 5 HZ PHE 5 -5.236 6.507 -2.246
42 H HIS 6 H HIS 6 -1.292 2.121 -7.091
43 HA HIS 6 HA HIS 6 -3.204 3.726 -8.332
44 HB2 HIS 6 2HB HIS 6 -0.912 2.080 -9.230
45 HB3 HIS 6 3HB HIS 6 -2.107 2.477 -10.461
46 HD1 HIS 6 HD1 HIS 6 0.941 3.598 -10.018
47 HD2 HIS 6 HD2 HIS 6 -2.655 5.600 -9.448
48 HE1 HIS 6 HE1 HIS 6 1.494 6.043 -10.216
49 HA PRO 7 HA PRO 7 -5.019 -0.277 -10.349
50 HB2 PRO 7 2HB PRO 7 -4.243 -2.654 -9.291
51 HB3 PRO 7 3HB PRO 7 -3.383 -1.868 -10.620
52 HG2 PRO 7 2HG PRO 7 -2.737 -1.891 -7.697
53 HG3 PRO 7 3HG PRO 7 -1.650 -2.080 -9.085
54 HD2 PRO 7 2HD PRO 7 -1.903 0.257 -7.740
55 HD3 PRO 7 3HD PRO 7 -1.555 0.189 -9.479
56 H LEU 8 H LEU 8 -4.421 -0.091 -6.917
57 HA LEU 8 HA LEU 8 -6.797 -1.557 -6.190
58 HB2 LEU 8 2HB LEU 8 -4.805 -1.595 -4.772
59 HB3 LEU 8 3HB LEU 8 -4.946 0.145 -4.526
60 HG LEU 8 HG LEU 8 -5.745 -1.457 -2.667
61 HD11 LEU 8 1HD1 LEU 8 -7.959 0.374 -3.177
62 HD12 LEU 8 2HD1 LEU 8 -6.369 1.118 -3.342
63 HD13 LEU 8 3HD1 LEU 8 -6.815 0.318 -1.835
64 HD21 LEU 8 3HD2 LEU 8 -8.368 -1.437 -4.042
65 HD22 LEU 8 1HD2 LEU 8 -7.698 -2.590 -2.887
66 HD23 LEU 8 2HD2 LEU 8 -7.186 -2.633 -4.575
67 H ALA 9 H ALA 9 -5.936 1.722 -6.854
68 HA ALA 9 HA ALA 9 -7.921 3.088 -5.428
69 HB1 ALA 9 1HB ALA 9 -6.113 4.305 -6.407
70 HB2 ALA 9 2HB ALA 9 -6.560 3.770 -8.027
71 HB3 ALA 9 3HB ALA 9 -7.612 4.875 -7.142
72 H ALA 10 H ALA 10 -7.979 1.611 -8.643
73 HA ALA 10 HA ALA 10 -10.519 2.535 -9.422
74 HB1 ALA 10 1HB ALA 10 -9.085 1.668 -11.096
75 HB2 ALA 10 2HB ALA 10 -8.922 0.125 -10.257
76 HB3 ALA 10 3HB ALA 10 -10.461 0.568 -10.996
77 H SER 11 H SER 11 -9.506 -0.431 -7.763
78 HA SER 11 HA SER 11 -12.039 -1.653 -7.674
79 HB2 SER 11 2HB SER 11 -9.643 -1.954 -5.850
80 HB3 SER 11 3HB SER 11 -11.063 -2.999 -5.799
81 HG SER 11 HG SER 11 -9.247 -3.762 -7.105
82 H PHE 12 H PHE 12 -10.354 0.425 -5.342
83 HA PHE 12 HA PHE 12 -12.449 0.365 -3.415
84 HB2 PHE 12 2HB PHE 12 -9.933 1.922 -3.790
85 HB3 PHE 12 3HB PHE 12 -11.144 2.563 -2.684
86 HD1 PHE 12 HD2 PHE 12 -10.469 -1.018 -3.263
87 HD2 PHE 12 HD1 PHE 12 -9.961 2.311 -0.659
88 HE1 PHE 12 HE2 PHE 12 -9.651 -2.526 -1.500
89 HE2 PHE 12 HE1 PHE 12 -9.141 0.807 1.107
90 HZ PHE 12 HZ PHE 12 -8.986 -1.615 0.689
91 H ILE 13 H ILE 13 -11.791 2.273 -6.235
92 HA ILE 13 HA ILE 13 -13.558 4.428 -5.570
93 HB ILE 13 HB ILE 13 -12.080 3.612 -8.038
94 HG12 ILE 13 2HG1 ILE 13 -10.978 4.962 -6.279
95 HG13 ILE 13 3HG1 ILE 13 -11.098 5.828 -7.806
96 HG21 ILE 13 1HG2 ILE 13 -14.360 5.565 -7.898
97 HG22 ILE 13 2HG2 ILE 13 -13.118 5.643 -9.147
98 HG23 ILE 13 3HG2 ILE 13 -14.142 4.213 -9.010
99 HD11 ILE 13 3HD1 ILE 13 -11.836 6.767 -5.331
100 HD12 ILE 13 1HD1 ILE 13 -12.293 7.457 -6.889
101 HD13 ILE 13 2HD1 ILE 13 -13.371 6.321 -6.077
102 H VAL 14 H VAL 14 -13.785 1.494 -7.529
103 HA VAL 14 HA VAL 14 -16.394 2.038 -8.532
104 HB VAL 14 HB VAL 14 -14.945 -0.603 -8.295
105 HG11 VAL 14 1HG1 VAL 14 -17.543 0.194 -9.506
106 HG12 VAL 14 2HG1 VAL 14 -16.567 -1.024 -10.330
107 HG13 VAL 14 3HG1 VAL 14 -17.095 -1.292 -8.668
108 HG21 VAL 14 3HG2 VAL 14 -15.155 0.431 -10.959
109 HG22 VAL 14 1HG2 VAL 14 -14.403 1.633 -9.910
110 HG23 VAL 14 2HG2 VAL 14 -13.711 0.016 -10.037
111 H ARG 15 H ARG 15 -15.191 0.807 -5.558
112 HA ARG 15 HA ARG 15 -17.613 -0.575 -4.819
113 HB2 ARG 15 2HB ARG 15 -16.321 -1.496 -3.245
114 HB3 ARG 15 3HB ARG 15 -14.970 -0.608 -3.936
115 HG2 ARG 15 2HG ARG 15 -15.388 1.240 -2.401
116 HG3 ARG 15 3HG ARG 15 -16.758 0.363 -1.716
117 HD2 ARG 15 2HD ARG 15 -14.668 -1.448 -1.586
118 HD3 ARG 15 3HD ARG 15 -13.918 0.095 -1.180
119 HE ARG 15 HE ARG 15 -15.068 0.093 0.800
120 HH11 ARG 15 1HH1 ARG 15 -16.478 -2.260 -1.344
121 HH12 ARG 15 2HH1 ARG 15 -17.525 -2.927 -0.135
122 HH21 ARG 15 1HH2 ARG 15 -16.442 -0.776 2.400
123 HH22 ARG 15 2HH2 ARG 15 -17.504 -2.081 1.994
124 H CYS 16 H CYS 16 -16.088 2.530 -4.127
125 HA CYS 16 HA CYS 16 -18.204 3.305 -2.307
126 HB2 CYS 16 2HB CYS 16 -15.865 4.883 -3.399
127 HB3 CYS 16 3HB CYS 16 -16.961 5.433 -2.138
128 HG CYS 16 HG CYS 16 -14.434 3.205 -1.957
129 H ALA 17 H ALA 17 -17.212 3.932 -5.614
130 HA ALA 17 HA ALA 17 -18.893 6.121 -6.146
131 HB1 ALA 17 1HB ALA 17 -18.527 5.636 -8.484
132 HB2 ALA 17 2HB ALA 17 -17.020 5.427 -7.592
133 HB3 ALA 17 3HB ALA 17 -17.953 4.015 -8.088
134 H PHE 18 H PHE 18 -19.437 2.640 -6.310
135 HA PHE 18 HA PHE 18 -22.019 2.847 -7.515
136 HB2 PHE 18 2HB PHE 18 -20.390 0.822 -7.466
137 HB3 PHE 18 3HB PHE 18 -21.114 0.482 -5.898
138 HD1 PHE 18 HD1 PHE 18 -21.812 0.827 -9.503
139 HD2 PHE 18 HD2 PHE 18 -23.260 -0.488 -5.723
140 HE1 PHE 18 HE1 PHE 18 -23.676 -0.326 -10.622
141 HE2 PHE 18 HE2 PHE 18 -25.125 -1.644 -6.835
142 HZ PHE 18 HZ PHE 18 -25.334 -1.565 -9.288
143 H GLU 19 H GLU 19 -20.817 2.558 -4.215
144 HA GLU 19 HA GLU 19 -23.442 2.310 -3.069
145 HB2 GLU 19 2HB GLU 19 -21.749 1.275 -1.811
146 HB3 GLU 19 3HB GLU 19 -20.681 2.665 -1.939
147 HG2 GLU 19 2HG GLU 19 -21.634 3.737 -0.200
148 HG3 GLU 19 3HG GLU 19 -23.246 3.120 -0.560
149 H HIS 20 H HIS 20 -21.276 4.894 -3.880
150 HA HIS 20 HA HIS 20 -22.429 6.882 -2.202
151 HB2 HIS 20 2HB HIS 20 -20.153 7.061 -3.175
152 HB3 HIS 20 3HB HIS 20 -20.873 7.246 -4.771
153 HD1 HIS 20 HD1 HIS 20 -21.797 9.536 -5.387
154 HD2 HIS 20 HD2 HIS 20 -20.473 9.299 -1.456
155 HE1 HIS 20 HE1 HIS 20 -21.774 11.904 -4.541
156 H SER 21 H SER 21 -23.049 5.764 -5.476
157 HA SER 21 HA SER 21 -24.973 7.859 -5.998
158 HB2 SER 21 2HB SER 21 -24.388 5.366 -7.611
159 HB3 SER 21 3HB SER 21 -25.272 6.789 -8.160
160 HG SER 21 HG SER 21 -22.532 6.432 -7.757
161 H ARG 22 H ARG 22 -24.977 4.480 -5.058
162 HA ARG 22 HA ARG 22 -27.650 3.847 -5.502
163 HB2 ARG 22 2HB ARG 22 -25.613 2.418 -4.628
164 HB3 ARG 22 3HB ARG 22 -26.273 2.831 -3.052
165 HG2 ARG 22 2HG ARG 22 -28.452 1.887 -3.779
166 HG3 ARG 22 3HG ARG 22 -27.672 1.359 -5.271
167 HD2 ARG 22 2HD ARG 22 -27.095 -0.511 -4.217
168 HD3 ARG 22 3HD ARG 22 -26.010 0.458 -3.221
169 HE ARG 22 HE ARG 22 -27.486 0.267 -1.471
170 HH11 ARG 22 1HH1 ARG 22 -29.016 -0.799 -4.411
171 HH12 ARG 22 2HH1 ARG 22 -30.404 -1.451 -3.605
172 HH21 ARG 22 1HH2 ARG 22 -29.309 -0.587 -0.399
173 HH22 ARG 22 2HH2 ARG 22 -30.571 -1.329 -1.324
174 H ARG 23 H ARG 23 -26.121 5.418 -2.725
175 HA ARG 23 HA ARG 23 -28.322 5.489 -1.014
176 HB2 ARG 23 2HB ARG 23 -26.350 6.114 0.019
177 HB3 ARG 23 3HB ARG 23 -25.855 7.146 -1.316
178 HG2 ARG 23 2HG ARG 23 -27.055 8.935 -0.565
179 HG3 ARG 23 3HG ARG 23 -28.256 7.928 0.247
180 HD2 ARG 23 2HD ARG 23 -26.871 9.116 1.863
181 HD3 ARG 23 3HD ARG 23 -26.626 7.374 1.979
182 HE ARG 23 HE ARG 23 -24.680 8.322 0.262
183 HH11 ARG 23 1HH1 ARG 23 -25.616 8.798 3.581
184 HH12 ARG 23 2HH1 ARG 23 -24.008 9.152 4.120
185 HH21 ARG 23 1HH2 ARG 23 -22.558 8.787 0.960
186 HH22 ARG 23 2HH2 ARG 23 -22.269 9.146 2.628
187 H PHE 24 H PHE 24 -27.559 7.401 -3.817
188 HA PHE 24 HA PHE 24 -29.531 9.432 -3.246
189 HB2 PHE 24 2HB PHE 24 -27.386 9.816 -4.547
190 HB3 PHE 24 3HB PHE 24 -28.136 8.939 -5.877
191 HD1 PHE 24 HD1 PHE 24 -30.444 9.825 -6.667
192 HD2 PHE 24 HD2 PHE 24 -27.660 12.100 -4.388
193 HE1 PHE 24 HE1 PHE 24 -31.520 11.902 -7.432
194 HE2 PHE 24 HE2 PHE 24 -28.731 14.180 -5.149
195 HZ PHE 24 HZ PHE 24 -30.664 14.083 -6.672
196 H THR 25 H THR 25 -29.237 6.609 -5.342
197 HA THR 25 HA THR 25 -31.871 7.035 -6.480
198 HB THR 25 HB THR 25 -29.875 6.060 -7.753
199 HG1 THR 25 HG1 THR 25 -31.427 4.376 -8.684
200 HG21 THR 25 3HG2 THR 25 -29.800 4.268 -5.687
201 HG22 THR 25 1HG2 THR 25 -29.050 4.027 -7.265
202 HG23 THR 25 2HG2 THR 25 -30.647 3.355 -6.935
Start of MODEL 12
1 H1 GLN 1 H GLN 1 1.940 -0.518 0.644
2 HA GLN 1 HA GLN 1 3.362 0.312 -1.108
3 HB2 GLN 1 2HB GLN 1 1.460 -1.580 -2.479
4 HB3 GLN 1 3HB GLN 1 3.182 -1.377 -2.771
5 HG2 GLN 1 2HG GLN 1 1.878 -2.598 -0.352
6 HG3 GLN 1 3HG GLN 1 2.835 -3.420 -1.584
7 HE21 GLN 1 1HE2 GLN 1 4.949 -1.712 -1.866
8 HE22 GLN 1 2HE2 GLN 1 5.859 -1.660 -0.398
9 H ARG 2 H ARG 2 3.592 1.748 -2.728
10 HA ARG 2 HA ARG 2 1.309 3.305 -3.501
11 HB2 ARG 2 2HB ARG 2 4.068 3.524 -4.689
12 HB3 ARG 2 3HB ARG 2 2.846 4.779 -4.532
13 HG2 ARG 2 2HG ARG 2 3.371 5.219 -2.373
14 HG3 ARG 2 3HG ARG 2 3.835 3.551 -2.030
15 HD2 ARG 2 2HD ARG 2 5.888 4.562 -1.987
16 HD3 ARG 2 3HD ARG 2 5.799 4.102 -3.687
17 HE ARG 2 HE ARG 2 4.792 6.741 -3.131
18 HH11 ARG 2 1HH1 ARG 2 7.607 4.837 -3.889
19 HH12 ARG 2 2HH1 ARG 2 8.487 6.169 -4.562
20 HH21 ARG 2 1HH2 ARG 2 5.941 8.502 -4.015
21 HH22 ARG 2 2HH2 ARG 2 7.539 8.253 -4.633
22 H SER 3 H SER 3 3.499 1.042 -5.112
23 HA SER 3 HA SER 3 2.560 1.354 -7.726
24 HB2 SER 3 2HB SER 3 3.648 -1.155 -6.424
25 HB3 SER 3 3HB SER 3 3.534 -0.861 -8.159
26 HG SER 3 HG SER 3 4.839 1.151 -7.464
27 H ASN 4 H ASN 4 1.413 -0.698 -5.092
28 HA ASN 4 HA ASN 4 -0.610 -1.944 -6.725
29 HB2 ASN 4 2HB ASN 4 -0.152 -2.013 -3.734
30 HB3 ASN 4 3HB ASN 4 -1.327 -3.000 -4.598
31 HD21 ASN 4 1HD2 ASN 4 -0.638 -4.730 -5.809
32 HD22 ASN 4 2HD2 ASN 4 0.976 -5.342 -5.734
33 H PHE 5 H PHE 5 -0.324 0.912 -4.871
34 HA PHE 5 HA PHE 5 -3.014 1.264 -4.085
35 HB2 PHE 5 2HB PHE 5 -1.054 2.548 -3.189
36 HB3 PHE 5 3HB PHE 5 -1.001 3.431 -4.711
37 HD1 PHE 5 HD2 PHE 5 -3.622 2.461 -2.232
38 HD2 PHE 5 HD1 PHE 5 -1.891 5.533 -4.616
39 HE1 PHE 5 HE2 PHE 5 -5.266 4.066 -1.352
40 HE2 PHE 5 HE1 PHE 5 -3.531 7.143 -3.739
41 HZ PHE 5 HZ PHE 5 -5.223 6.410 -2.106
42 H HIS 6 H HIS 6 -1.240 2.125 -7.007
43 HA HIS 6 HA HIS 6 -3.145 3.753 -8.228
44 HB2 HIS 6 2HB HIS 6 -0.844 2.128 -9.143
45 HB3 HIS 6 3HB HIS 6 -2.031 2.547 -10.375
46 HD1 HIS 6 HD1 HIS 6 -2.614 5.280 -10.345
47 HD2 HIS 6 HD2 HIS 6 1.050 4.025 -8.843
48 HE1 HIS 6 HE1 HIS 6 -1.141 7.318 -10.374
49 HA PRO 7 HA PRO 7 -4.940 -0.212 -10.337
50 HB2 PRO 7 2HB PRO 7 -4.168 -2.609 -9.322
51 HB3 PRO 7 3HB PRO 7 -3.300 -1.795 -10.629
52 HG2 PRO 7 2HG PRO 7 -2.674 -1.876 -7.703
53 HG3 PRO 7 3HG PRO 7 -1.577 -2.035 -9.086
54 HD2 PRO 7 2HD PRO 7 -1.843 0.274 -7.697
55 HD3 PRO 7 3HD PRO 7 -1.483 0.242 -9.435
56 H LEU 8 H LEU 8 -4.366 -0.094 -6.898
57 HA LEU 8 HA LEU 8 -6.745 -1.577 -6.217
58 HB2 LEU 8 2HB LEU 8 -4.762 -1.640 -4.787
59 HB3 LEU 8 3HB LEU 8 -4.907 0.094 -4.507
60 HG LEU 8 HG LEU 8 -5.716 -1.546 -2.686
61 HD11 LEU 8 1HD1 LEU 8 -7.930 0.291 -3.174
62 HD12 LEU 8 2HD1 LEU 8 -6.341 1.041 -3.313
63 HD13 LEU 8 3HD1 LEU 8 -6.796 0.210 -1.826
64 HD21 LEU 8 3HD2 LEU 8 -7.143 -2.686 -4.626
65 HD22 LEU 8 1HD2 LEU 8 -8.330 -1.502 -4.077
66 HD23 LEU 8 2HD2 LEU 8 -7.667 -2.678 -2.941
67 H ALA 9 H ALA 9 -5.884 1.716 -6.809
68 HA ALA 9 HA ALA 9 -7.881 3.050 -5.370
69 HB1 ALA 9 1HB ALA 9 -6.503 3.785 -7.946
70 HB2 ALA 9 2HB ALA 9 -7.562 4.872 -7.047
71 HB3 ALA 9 3HB ALA 9 -6.068 4.289 -6.313
72 H ALA 10 H ALA 10 -7.914 1.637 -8.615
73 HA ALA 10 HA ALA 10 -10.450 2.574 -9.393
74 HB1 ALA 10 1HB ALA 10 -8.843 0.183 -10.263
75 HB2 ALA 10 2HB ALA 10 -10.377 0.637 -11.005
76 HB3 ALA 10 3HB ALA 10 -9.004 1.741 -11.074
77 H SER 11 H SER 11 -9.444 -0.424 -7.786
78 HA SER 11 HA SER 11 -11.976 -1.650 -7.739
79 HB2 SER 11 2HB SER 11 -9.593 -1.985 -5.904
80 HB3 SER 11 3HB SER 11 -11.011 -3.033 -5.885
81 HG SER 11 HG SER 11 -9.123 -3.702 -7.208
82 H PHE 12 H PHE 12 -10.310 0.382 -5.355
83 HA PHE 12 HA PHE 12 -12.418 0.281 -3.444
84 HB2 PHE 12 2HB PHE 12 -9.903 1.848 -3.770
85 HB3 PHE 12 3HB PHE 12 -11.122 2.465 -2.660
86 HD1 PHE 12 HD2 PHE 12 -10.437 -1.102 -3.306
87 HD2 PHE 12 HD1 PHE 12 -9.953 2.174 -0.632
88 HE1 PHE 12 HE2 PHE 12 -9.629 -2.644 -1.568
89 HE2 PHE 12 HE1 PHE 12 -9.143 0.637 1.110
90 HZ PHE 12 HZ PHE 12 -8.982 -1.776 0.644
91 H ILE 13 H ILE 13 -11.743 2.246 -6.221
92 HA ILE 13 HA ILE 13 -13.518 4.385 -5.524
93 HB ILE 13 HB ILE 13 -12.022 3.621 -7.998
94 HG12 ILE 13 2HG1 ILE 13 -10.934 4.936 -6.204
95 HG13 ILE 13 3HG1 ILE 13 -11.045 5.833 -7.715
96 HG21 ILE 13 1HG2 ILE 13 -14.306 5.567 -7.835
97 HG22 ILE 13 2HG2 ILE 13 -13.055 5.672 -9.073
98 HG23 ILE 13 3HG2 ILE 13 -14.078 4.238 -8.972
99 HD11 ILE 13 3HD1 ILE 13 -11.803 6.721 -5.227
100 HD12 ILE 13 1HD1 ILE 13 -12.249 7.441 -6.773
101 HD13 ILE 13 2HD1 ILE 13 -13.331 6.288 -5.992
102 H VAL 14 H VAL 14 -13.728 1.491 -7.543
103 HA VAL 14 HA VAL 14 -16.330 2.051 -8.554
104 HB VAL 14 HB VAL 14 -14.879 -0.592 -8.360
105 HG11 VAL 14 1HG1 VAL 14 -17.527 0.163 -9.359
106 HG12 VAL 14 2HG1 VAL 14 -16.557 -0.773 -10.498
107 HG13 VAL 14 3HG1 VAL 14 -16.897 -1.416 -8.891
108 HG21 VAL 14 3HG2 VAL 14 -14.354 1.684 -9.943
109 HG22 VAL 14 1HG2 VAL 14 -13.623 0.083 -10.061
110 HG23 VAL 14 2HG2 VAL 14 -15.061 0.468 -11.007
111 H ARG 15 H ARG 15 -15.146 0.762 -5.597
112 HA ARG 15 HA ARG 15 -17.571 -0.638 -4.903
113 HB2 ARG 15 2HB ARG 15 -16.289 -1.589 -3.338
114 HB3 ARG 15 3HB ARG 15 -14.934 -0.685 -4.002
115 HG2 ARG 15 2HG ARG 15 -15.366 1.131 -2.433
116 HG3 ARG 15 3HG ARG 15 -16.739 0.239 -1.776
117 HD2 ARG 15 2HD ARG 15 -13.820 -0.478 -1.642
118 HD3 ARG 15 3HD ARG 15 -14.915 -0.128 -0.305
119 HE ARG 15 HE ARG 15 -14.616 -2.629 -1.696
120 HH11 ARG 15 1HH1 ARG 15 -16.716 -0.664 0.265
121 HH12 ARG 15 2HH1 ARG 15 -17.629 -2.009 0.866
122 HH21 ARG 15 1HH2 ARG 15 -15.810 -4.408 -0.912
123 HH22 ARG 15 2HH2 ARG 15 -17.112 -4.138 0.196
124 H CYS 16 H CYS 16 -16.056 2.455 -4.138
125 HA CYS 16 HA CYS 16 -18.185 3.190 -2.318
126 HB2 CYS 16 2HB CYS 16 -15.841 4.793 -3.361
127 HB3 CYS 16 3HB CYS 16 -16.947 5.316 -2.097
128 HG CYS 16 HG CYS 16 -15.743 4.177 -0.131
129 H ALA 17 H ALA 17 -17.171 3.885 -5.604
130 HA ALA 17 HA ALA 17 -18.852 6.082 -6.103
131 HB1 ALA 17 1HB ALA 17 -16.968 5.420 -7.549
132 HB2 ALA 17 2HB ALA 17 -17.895 4.017 -8.081
133 HB3 ALA 17 3HB ALA 17 -18.468 5.643 -8.449
134 H PHE 18 H PHE 18 -19.389 2.604 -6.342
135 HA PHE 18 HA PHE 18 -21.964 2.832 -7.560
136 HB2 PHE 18 2HB PHE 18 -20.332 0.809 -7.540
137 HB3 PHE 18 3HB PHE 18 -21.067 0.436 -5.984
138 HD1 PHE 18 HD2 PHE 18 -22.364 1.576 -9.296
139 HD2 PHE 18 HD1 PHE 18 -22.586 -1.265 -6.135
140 HE1 PHE 18 HE2 PHE 18 -24.219 0.444 -10.449
141 HE2 PHE 18 HE1 PHE 18 -24.441 -2.403 -7.283
142 HZ PHE 18 HZ PHE 18 -25.260 -1.548 -9.443
143 H GLU 19 H GLU 19 -20.784 2.478 -4.258
144 HA GLU 19 HA GLU 19 -23.417 2.204 -3.135
145 HB2 GLU 19 2HB GLU 19 -21.731 1.146 -1.886
146 HB3 GLU 19 3HB GLU 19 -20.664 2.540 -1.979
147 HG2 GLU 19 2HG GLU 19 -21.631 3.575 -0.226
148 HG3 GLU 19 3HG GLU 19 -23.239 2.964 -0.609
149 H HIS 20 H HIS 20 -21.249 4.806 -3.879
150 HA HIS 20 HA HIS 20 -22.416 6.759 -2.170
151 HB2 HIS 20 2HB HIS 20 -20.133 6.960 -3.124
152 HB3 HIS 20 3HB HIS 20 -20.843 7.177 -4.721
153 HD1 HIS 20 HD1 HIS 20 -19.911 9.545 -5.003
154 HD2 HIS 20 HD2 HIS 20 -22.333 9.094 -1.658
155 HE1 HIS 20 HE1 HIS 20 -20.369 11.879 -4.185
156 H SER 21 H SER 21 -23.012 5.706 -5.470
157 HA SER 21 HA SER 21 -24.935 7.809 -5.963
158 HB2 SER 21 2HB SER 21 -24.335 5.349 -7.622
159 HB3 SER 21 3HB SER 21 -25.218 6.782 -8.148
160 HG SER 21 HG SER 21 -22.638 7.125 -7.135
161 H ARG 22 H ARG 22 -24.941 4.411 -5.092
162 HA ARG 22 HA ARG 22 -27.610 3.784 -5.567
163 HB2 ARG 22 2HB ARG 22 -25.577 2.340 -4.708
164 HB3 ARG 22 3HB ARG 22 -26.248 2.721 -3.128
165 HG2 ARG 22 2HG ARG 22 -28.421 1.790 -3.889
166 HG3 ARG 22 3HG ARG 22 -27.630 1.291 -5.386
167 HD2 ARG 22 2HD ARG 22 -26.693 -0.487 -4.413
168 HD3 ARG 22 3HD ARG 22 -26.167 0.455 -3.019
169 HE ARG 22 HE ARG 22 -28.430 -1.249 -3.156
170 HH11 ARG 22 1HH1 ARG 22 -27.307 1.746 -1.781
171 HH12 ARG 22 2HH1 ARG 22 -28.377 1.673 -0.420
172 HH21 ARG 22 1HH2 ARG 22 -29.843 -1.356 -1.368
173 HH22 ARG 22 2HH2 ARG 22 -29.818 -0.092 -0.186
174 H ARG 23 H ARG 23 -26.102 5.301 -2.748
175 HA ARG 23 HA ARG 23 -28.315 5.335 -1.052
176 HB2 ARG 23 2HB ARG 23 -26.352 5.941 0.007
177 HB3 ARG 23 3HB ARG 23 -25.848 7.000 -1.303
178 HG2 ARG 23 2HG ARG 23 -27.057 8.772 -0.525
179 HG3 ARG 23 3HG ARG 23 -28.261 7.748 0.258
180 HD2 ARG 23 2HD ARG 23 -26.232 7.069 1.777
181 HD3 ARG 23 3HD ARG 23 -25.575 8.610 1.226
182 HE ARG 23 HE ARG 23 -27.763 8.208 3.052
183 HH11 ARG 23 1HH1 ARG 23 -26.250 10.405 0.816
184 HH12 ARG 23 2HH1 ARG 23 -26.932 11.821 1.543
185 HH21 ARG 23 1HH2 ARG 23 -28.668 10.065 4.019
186 HH22 ARG 23 2HH2 ARG 23 -28.306 11.627 3.366
187 H PHE 24 H PHE 24 -27.536 7.304 -3.810
188 HA PHE 24 HA PHE 24 -29.515 9.320 -3.212
189 HB2 PHE 24 2HB PHE 24 -27.361 9.734 -4.490
190 HB3 PHE 24 3HB PHE 24 -28.099 8.881 -5.842
191 HD1 PHE 24 HD2 PHE 24 -30.354 9.784 -6.692
192 HD2 PHE 24 HD1 PHE 24 -27.692 12.008 -4.226
193 HE1 PHE 24 HE2 PHE 24 -31.427 11.874 -7.424
194 HE2 PHE 24 HE1 PHE 24 -28.761 14.102 -4.953
195 HZ PHE 24 HZ PHE 24 -30.630 14.036 -6.555
196 H THR 25 H THR 25 -29.201 6.540 -5.362
197 HA THR 25 HA THR 25 -31.829 6.985 -6.510
198 HB THR 25 HB THR 25 -29.823 6.040 -7.789
199 HG1 THR 25 HG1 THR 25 -32.438 4.986 -7.775
200 HG21 THR 25 3HG2 THR 25 -30.595 3.317 -7.031
201 HG22 THR 25 1HG2 THR 25 -29.759 4.206 -5.758
202 HG23 THR 25 2HG2 THR 25 -28.997 3.998 -7.336
Start of MODEL 13
1 H1 GLN 1 H GLN 1 4.569 -0.482 -1.759
2 HA GLN 1 HA GLN 1 2.397 -0.990 -2.220
3 HB2 GLN 1 2HB GLN 1 2.412 -0.393 0.298
4 HB3 GLN 1 3HB GLN 1 1.602 1.086 -0.200
5 HG2 GLN 1 2HG GLN 1 -0.205 -0.206 0.264
6 HG3 GLN 1 3HG GLN 1 0.011 -0.602 -1.440
7 HE21 GLN 1 1HE2 GLN 1 1.047 -2.587 -1.979
8 HE22 GLN 1 2HE2 GLN 1 1.009 -3.920 -0.881
9 H ARG 2 H ARG 2 3.708 1.744 -3.191
10 HA ARG 2 HA ARG 2 1.405 3.298 -3.911
11 HB2 ARG 2 2HB ARG 2 4.137 3.526 -5.157
12 HB3 ARG 2 3HB ARG 2 2.916 4.778 -4.972
13 HG2 ARG 2 2HG ARG 2 3.487 5.214 -2.824
14 HG3 ARG 2 3HG ARG 2 3.962 3.547 -2.495
15 HD2 ARG 2 2HD ARG 2 5.952 3.963 -4.005
16 HD3 ARG 2 3HD ARG 2 5.519 5.671 -3.948
17 HE ARG 2 HE ARG 2 6.791 4.142 -1.886
18 HH11 ARG 2 1HH1 ARG 2 4.751 6.887 -2.536
19 HH12 ARG 2 2HH1 ARG 2 5.179 7.716 -1.076
20 HH21 ARG 2 1HH2 ARG 2 7.363 5.223 0.039
21 HH22 ARG 2 2HH2 ARG 2 6.666 6.769 0.388
22 H SER 3 H SER 3 3.565 1.043 -5.574
23 HA SER 3 HA SER 3 2.569 1.358 -8.165
24 HB2 SER 3 2HB SER 3 4.643 0.078 -7.457
25 HB3 SER 3 3HB SER 3 3.571 -1.250 -7.014
26 HG SER 3 HG SER 3 4.011 -0.129 -9.574
27 H ASN 4 H ASN 4 1.482 -0.700 -5.511
28 HA ASN 4 HA ASN 4 -0.573 -1.948 -7.103
29 HB2 ASN 4 2HB ASN 4 -0.051 -2.021 -4.123
30 HB3 ASN 4 3HB ASN 4 -1.243 -3.009 -4.963
31 HD21 ASN 4 1HD2 ASN 4 0.320 -4.508 -3.659
32 HD22 ASN 4 2HD2 ASN 4 1.589 -5.204 -4.601
33 H PHE 5 H PHE 5 -0.253 0.905 -5.250
34 HA PHE 5 HA PHE 5 -2.926 1.252 -4.406
35 HB2 PHE 5 2HB PHE 5 -0.949 2.537 -3.550
36 HB3 PHE 5 3HB PHE 5 -0.931 3.424 -5.071
37 HD1 PHE 5 HD2 PHE 5 -3.681 2.389 -2.772
38 HD2 PHE 5 HD1 PHE 5 -1.638 5.576 -4.717
39 HE1 PHE 5 HE2 PHE 5 -5.308 3.989 -1.853
40 HE2 PHE 5 HE1 PHE 5 -3.262 7.181 -3.800
41 HZ PHE 5 HZ PHE 5 -5.101 6.388 -2.367
42 H HIS 6 H HIS 6 -1.216 2.122 -7.364
43 HA HIS 6 HA HIS 6 -3.150 3.748 -8.540
44 HB2 HIS 6 2HB HIS 6 -0.866 2.130 -9.507
45 HB3 HIS 6 3HB HIS 6 -2.080 2.549 -10.713
46 HD1 HIS 6 HD1 HIS 6 1.013 3.702 -9.811
47 HD2 HIS 6 HD2 HIS 6 -2.664 5.615 -10.103
48 HE1 HIS 6 HE1 HIS 6 1.545 6.145 -10.086
49 HA PRO 7 HA PRO 7 -4.982 -0.216 -10.619
50 HB2 PRO 7 2HB PRO 7 -4.184 -2.613 -9.625
51 HB3 PRO 7 3HB PRO 7 -3.346 -1.795 -10.949
52 HG2 PRO 7 2HG PRO 7 -2.658 -1.880 -8.037
53 HG3 PRO 7 3HG PRO 7 -1.590 -2.035 -9.444
54 HD2 PRO 7 2HD PRO 7 -1.831 0.271 -8.044
55 HD3 PRO 7 3HD PRO 7 -1.508 0.243 -9.789
56 H LEU 8 H LEU 8 -4.335 -0.103 -7.193
57 HA LEU 8 HA LEU 8 -6.696 -1.592 -6.464
58 HB2 LEU 8 2HB LEU 8 -4.683 -1.654 -5.076
59 HB3 LEU 8 3HB LEU 8 -4.826 0.079 -4.789
60 HG LEU 8 HG LEU 8 -5.592 -1.567 -2.955
61 HD11 LEU 8 1HD1 LEU 8 -6.658 0.185 -2.070
62 HD12 LEU 8 2HD1 LEU 8 -7.821 0.266 -3.392
63 HD13 LEU 8 3HD1 LEU 8 -6.237 1.021 -3.565
64 HD21 LEU 8 3HD2 LEU 8 -7.546 -2.702 -3.173
65 HD22 LEU 8 1HD2 LEU 8 -7.057 -2.706 -4.867
66 HD23 LEU 8 2HD2 LEU 8 -8.236 -1.526 -4.293
67 H ALA 9 H ALA 9 -5.854 1.703 -7.067
68 HA ALA 9 HA ALA 9 -7.822 3.031 -5.583
69 HB1 ALA 9 1HB ALA 9 -6.032 4.275 -6.561
70 HB2 ALA 9 2HB ALA 9 -6.501 3.775 -8.186
71 HB3 ALA 9 3HB ALA 9 -7.542 4.857 -7.262
72 H ALA 10 H ALA 10 -7.922 1.625 -8.829
73 HA ALA 10 HA ALA 10 -10.476 2.558 -9.551
74 HB1 ALA 10 1HB ALA 10 -10.435 0.626 -11.169
75 HB2 ALA 10 2HB ALA 10 -9.064 1.732 -11.265
76 HB3 ALA 10 3HB ALA 10 -8.884 0.172 -10.461
77 H SER 11 H SER 11 -9.430 -0.440 -7.972
78 HA SER 11 HA SER 11 -11.958 -1.671 -7.874
79 HB2 SER 11 2HB SER 11 -9.535 -2.006 -6.092
80 HB3 SER 11 3HB SER 11 -10.951 -3.056 -6.042
81 HG SER 11 HG SER 11 -8.879 -3.322 -7.589
82 H PHE 12 H PHE 12 -10.246 0.359 -5.521
83 HA PHE 12 HA PHE 12 -12.313 0.250 -3.566
84 HB2 PHE 12 2HB PHE 12 -9.807 1.823 -3.943
85 HB3 PHE 12 3HB PHE 12 -11.004 2.436 -2.806
86 HD1 PHE 12 HD2 PHE 12 -10.329 -1.129 -3.472
87 HD2 PHE 12 HD1 PHE 12 -9.789 2.143 -0.805
88 HE1 PHE 12 HE2 PHE 12 -9.482 -2.673 -1.755
89 HE2 PHE 12 HE1 PHE 12 -8.940 0.604 0.917
90 HZ PHE 12 HZ PHE 12 -8.787 -1.808 0.443
91 H ILE 13 H ILE 13 -11.700 2.222 -6.353
92 HA ILE 13 HA ILE 13 -13.464 4.357 -5.615
93 HB ILE 13 HB ILE 13 -12.020 3.600 -8.122
94 HG12 ILE 13 2HG1 ILE 13 -10.896 4.914 -6.348
95 HG13 ILE 13 3HG1 ILE 13 -11.040 5.813 -7.855
96 HG21 ILE 13 1HG2 ILE 13 -14.303 5.542 -7.906
97 HG22 ILE 13 2HG2 ILE 13 -13.079 5.651 -9.170
98 HG23 ILE 13 3HG2 ILE 13 -14.097 4.216 -9.050
99 HD11 ILE 13 3HD1 ILE 13 -13.291 6.260 -6.085
100 HD12 ILE 13 1HD1 ILE 13 -11.748 6.695 -5.349
101 HD13 ILE 13 2HD1 ILE 13 -12.228 7.417 -6.886
102 H VAL 14 H VAL 14 -13.711 1.466 -7.634
103 HA VAL 14 HA VAL 14 -16.336 2.024 -8.588
104 HB VAL 14 HB VAL 14 -14.876 -0.617 -8.430
105 HG11 VAL 14 1HG1 VAL 14 -17.104 -1.206 -8.728
106 HG12 VAL 14 2HG1 VAL 14 -17.450 0.213 -9.718
107 HG13 VAL 14 3HG1 VAL 14 -16.494 -1.114 -10.380
108 HG21 VAL 14 3HG2 VAL 14 -14.317 1.640 -9.977
109 HG22 VAL 14 1HG2 VAL 14 -13.696 0.006 -10.209
110 HG23 VAL 14 2HG2 VAL 14 -15.150 0.527 -11.061
111 H ARG 15 H ARG 15 -15.087 0.731 -5.659
112 HA ARG 15 HA ARG 15 -17.494 -0.675 -4.917
113 HB2 ARG 15 2HB ARG 15 -16.177 -1.626 -3.382
114 HB3 ARG 15 3HB ARG 15 -14.838 -0.719 -4.072
115 HG2 ARG 15 2HG ARG 15 -15.239 1.094 -2.491
116 HG3 ARG 15 3HG ARG 15 -16.597 0.198 -1.806
117 HD2 ARG 15 2HD ARG 15 -14.075 -1.298 -1.938
118 HD3 ARG 15 3HD ARG 15 -14.041 0.108 -0.875
119 HE ARG 15 HE ARG 15 -15.505 -2.340 -0.475
120 HH11 ARG 15 1HH1 ARG 15 -15.260 1.036 0.338
121 HH12 ARG 15 2HH1 ARG 15 -16.107 0.870 1.840
122 HH21 ARG 15 1HH2 ARG 15 -16.622 -2.572 1.501
123 HH22 ARG 15 2HH2 ARG 15 -16.881 -1.183 2.501
124 H CYS 16 H CYS 16 -15.968 2.419 -4.178
125 HA CYS 16 HA CYS 16 -18.059 3.147 -2.311
126 HB2 CYS 16 2HB CYS 16 -15.740 4.756 -3.402
127 HB3 CYS 16 3HB CYS 16 -16.820 5.275 -2.113
128 HG CYS 16 HG CYS 16 -14.036 3.711 -1.812
129 H ALA 17 H ALA 17 -17.117 3.850 -5.618
130 HA ALA 17 HA ALA 17 -18.812 6.045 -6.076
131 HB1 ALA 17 1HB ALA 17 -16.958 5.389 -7.563
132 HB2 ALA 17 2HB ALA 17 -17.893 3.985 -8.078
133 HB3 ALA 17 3HB ALA 17 -18.478 5.611 -8.430
134 H PHE 18 H PHE 18 -19.348 2.567 -6.310
135 HA PHE 18 HA PHE 18 -21.948 2.792 -7.472
136 HB2 PHE 18 2HB PHE 18 -20.313 0.772 -7.491
137 HB3 PHE 18 3HB PHE 18 -21.014 0.395 -5.921
138 HD1 PHE 18 HD1 PHE 18 -23.615 0.283 -5.842
139 HD2 PHE 18 HD2 PHE 18 -21.303 -0.053 -9.400
140 HE1 PHE 18 HE1 PHE 18 -25.494 -0.853 -6.952
141 HE2 PHE 18 HE2 PHE 18 -23.178 -1.189 -10.516
142 HZ PHE 18 HZ PHE 18 -25.277 -1.590 -9.292
143 H GLU 19 H GLU 19 -20.698 2.434 -4.197
144 HA GLU 19 HA GLU 19 -23.306 2.153 -3.019
145 HB2 GLU 19 2HB GLU 19 -21.592 1.096 -1.808
146 HB3 GLU 19 3HB GLU 19 -20.529 2.491 -1.922
147 HG2 GLU 19 2HG GLU 19 -21.460 3.523 -0.147
148 HG3 GLU 19 3HG GLU 19 -23.075 2.909 -0.496
149 H HIS 20 H HIS 20 -21.158 4.761 -3.804
150 HA HIS 20 HA HIS 20 -22.292 6.709 -2.066
151 HB2 HIS 20 2HB HIS 20 -20.030 6.915 -3.068
152 HB3 HIS 20 3HB HIS 20 -20.774 7.134 -4.649
153 HD1 HIS 20 HD1 HIS 20 -22.499 9.303 -4.707
154 HD2 HIS 20 HD2 HIS 20 -19.542 9.245 -1.790
155 HE1 HIS 20 HE1 HIS 20 -22.270 11.685 -3.935
156 H SER 21 H SER 21 -22.956 5.661 -5.355
157 HA SER 21 HA SER 21 -24.892 7.761 -5.804
158 HB2 SER 21 2HB SER 21 -24.324 5.305 -7.479
159 HB3 SER 21 3HB SER 21 -25.220 6.738 -7.984
160 HG SER 21 HG SER 21 -22.600 7.036 -7.036
161 H ARG 22 H ARG 22 -24.875 4.362 -4.938
162 HA ARG 22 HA ARG 22 -27.552 3.732 -5.358
163 HB2 ARG 22 2HB ARG 22 -25.499 2.289 -4.545
164 HB3 ARG 22 3HB ARG 22 -26.139 2.666 -2.950
165 HG2 ARG 22 2HG ARG 22 -28.324 1.731 -3.666
166 HG3 ARG 22 3HG ARG 22 -27.567 1.241 -5.183
167 HD2 ARG 22 2HD ARG 22 -26.025 -0.190 -3.999
168 HD3 ARG 22 3HD ARG 22 -26.638 0.379 -2.447
169 HE ARG 22 HE ARG 22 -27.788 -1.635 -4.115
170 HH11 ARG 22 1HH1 ARG 22 -28.515 0.837 -1.774
171 HH12 ARG 22 2HH1 ARG 22 -29.977 0.080 -1.236
172 HH21 ARG 22 1HH2 ARG 22 -29.712 -2.641 -3.415
173 HH22 ARG 22 2HH2 ARG 22 -30.657 -1.899 -2.169
174 H ARG 23 H ARG 23 -25.987 5.245 -2.568
175 HA ARG 23 HA ARG 23 -28.164 5.273 -0.826
176 HB2 ARG 23 2HB ARG 23 -26.176 5.877 0.191
177 HB3 ARG 23 3HB ARG 23 -25.706 6.944 -1.125
178 HG2 ARG 23 2HG ARG 23 -26.901 8.709 -0.311
179 HG3 ARG 23 3HG ARG 23 -28.085 7.677 0.494
180 HD2 ARG 23 2HD ARG 23 -26.482 7.117 2.215
181 HD3 ARG 23 3HD ARG 23 -25.224 8.026 1.378
182 HE ARG 23 HE ARG 23 -27.219 9.075 3.118
183 HH11 ARG 23 1HH1 ARG 23 -25.317 9.801 0.293
184 HH12 ARG 23 2HH1 ARG 23 -25.373 11.515 0.536
185 HH21 ARG 23 1HH2 ARG 23 -27.300 11.330 3.448
186 HH22 ARG 23 2HH2 ARG 23 -26.501 12.384 2.331
187 H PHE 24 H PHE 24 -27.448 7.244 -3.598
188 HA PHE 24 HA PHE 24 -29.409 9.263 -2.954
189 HB2 PHE 24 2HB PHE 24 -27.287 9.671 -4.287
190 HB3 PHE 24 3HB PHE 24 -28.062 8.819 -5.619
191 HD1 PHE 24 HD2 PHE 24 -30.344 9.724 -6.401
192 HD2 PHE 24 HD1 PHE 24 -27.598 11.947 -4.028
193 HE1 PHE 24 HE2 PHE 24 -31.432 11.815 -7.108
194 HE2 PHE 24 HE1 PHE 24 -28.682 14.042 -4.730
195 HZ PHE 24 HZ PHE 24 -30.600 13.977 -6.273
196 H THR 25 H THR 25 -29.155 6.480 -5.108
197 HA THR 25 HA THR 25 -31.812 6.928 -6.185
198 HB THR 25 HB THR 25 -29.837 5.984 -7.517
199 HG1 THR 25 HG1 THR 25 -32.210 4.413 -7.564
200 HG21 THR 25 3HG2 THR 25 -29.468 4.238 -5.596
201 HG22 THR 25 1HG2 THR 25 -29.188 3.783 -7.276
202 HG23 THR 25 2HG2 THR 25 -30.689 3.317 -6.474
Start of MODEL 14
1 H1 GLN 1 H GLN 1 1.985 -0.021 0.630
2 HA GLN 1 HA GLN 1 3.277 0.425 -1.304
3 HB2 GLN 1 2HB GLN 1 1.202 -1.685 -1.672
4 HB3 GLN 1 3HB GLN 1 2.206 -1.258 -3.051
5 HG2 GLN 1 2HG GLN 1 3.363 -2.004 -0.385
6 HG3 GLN 1 3HG GLN 1 2.981 -3.197 -1.625
7 HE21 GLN 1 1HE2 GLN 1 5.480 -1.779 -0.338
8 HE22 GLN 1 2HE2 GLN 1 6.507 -1.553 -1.709
9 H ARG 2 H ARG 2 3.481 1.805 -2.949
10 HA ARG 2 HA ARG 2 1.211 3.342 -3.798
11 HB2 ARG 2 2HB ARG 2 3.959 3.445 -5.025
12 HB3 ARG 2 3HB ARG 2 2.756 4.725 -4.937
13 HG2 ARG 2 2HG ARG 2 3.312 5.294 -2.816
14 HG3 ARG 2 3HG ARG 2 3.756 3.645 -2.371
15 HD2 ARG 2 2HD ARG 2 5.769 3.930 -3.884
16 HD3 ARG 2 3HD ARG 2 5.363 5.644 -3.943
17 HE ARG 2 HE ARG 2 6.592 4.237 -1.774
18 HH11 ARG 2 1HH1 ARG 2 4.590 6.957 -2.617
19 HH12 ARG 2 2HH1 ARG 2 5.013 7.872 -1.207
20 HH21 ARG 2 1HH2 ARG 2 7.157 5.431 0.086
21 HH22 ARG 2 2HH2 ARG 2 6.474 7.003 0.329
22 H SER 3 H SER 3 3.352 0.949 -5.283
23 HA SER 3 HA SER 3 2.388 1.106 -7.901
24 HB2 SER 3 2HB SER 3 4.434 -0.156 -7.086
25 HB3 SER 3 3HB SER 3 3.337 -1.435 -6.568
26 HG SER 3 HG SER 3 4.187 -1.776 -8.683
27 H ASN 4 H ASN 4 1.241 -0.755 -5.128
28 HA ASN 4 HA ASN 4 -0.817 -2.073 -6.658
29 HB2 ASN 4 2HB ASN 4 -0.328 -1.957 -3.674
30 HB3 ASN 4 3HB ASN 4 -1.526 -2.980 -4.460
31 HD21 ASN 4 1HD2 ASN 4 -0.812 -4.690 -5.790
32 HD22 ASN 4 2HD2 ASN 4 0.770 -5.360 -5.605
33 H PHE 5 H PHE 5 -0.471 0.891 -4.994
34 HA PHE 5 HA PHE 5 -3.146 1.333 -4.205
35 HB2 PHE 5 2HB PHE 5 -1.158 2.642 -3.414
36 HB3 PHE 5 3HB PHE 5 -1.111 3.426 -4.989
37 HD1 PHE 5 HD2 PHE 5 -3.677 2.670 -2.382
38 HD2 PHE 5 HD1 PHE 5 -2.009 5.525 -5.062
39 HE1 PHE 5 HE2 PHE 5 -5.288 4.351 -1.588
40 HE2 PHE 5 HE1 PHE 5 -3.617 7.211 -4.271
41 HZ PHE 5 HZ PHE 5 -5.260 6.625 -2.533
42 H HIS 6 H HIS 6 -1.392 1.979 -7.194
43 HA HIS 6 HA HIS 6 -3.287 3.553 -8.498
44 HB2 HIS 6 2HB HIS 6 -1.020 1.840 -9.330
45 HB3 HIS 6 3HB HIS 6 -2.214 2.197 -10.574
46 HD1 HIS 6 HD1 HIS 6 -0.935 3.848 -11.960
47 HD2 HIS 6 HD2 HIS 6 -0.926 4.814 -7.919
48 HE1 HIS 6 HE1 HIS 6 0.103 6.135 -11.817
49 HA PRO 7 HA PRO 7 -5.161 -0.511 -10.330
50 HB2 PRO 7 2HB PRO 7 -4.412 -2.849 -9.171
51 HB3 PRO 7 3HB PRO 7 -3.547 -2.133 -10.537
52 HG2 PRO 7 2HG PRO 7 -2.891 -2.036 -7.618
53 HG3 PRO 7 3HG PRO 7 -1.811 -2.300 -8.999
54 HD2 PRO 7 2HD PRO 7 -2.029 0.097 -7.758
55 HD3 PRO 7 3HD PRO 7 -1.689 -0.052 -9.494
56 H LEU 8 H LEU 8 -4.548 -0.181 -6.912
57 HA LEU 8 HA LEU 8 -6.940 -1.583 -6.114
58 HB2 LEU 8 2HB LEU 8 -4.944 -1.584 -4.702
59 HB3 LEU 8 3HB LEU 8 -5.061 0.166 -4.532
60 HG LEU 8 HG LEU 8 -5.873 -1.341 -2.602
61 HD11 LEU 8 1HD1 LEU 8 -6.918 0.483 -1.847
62 HD12 LEU 8 2HD1 LEU 8 -8.066 0.494 -3.185
63 HD13 LEU 8 3HD1 LEU 8 -6.468 1.210 -3.390
64 HD21 LEU 8 3HD2 LEU 8 -8.502 -1.347 -3.967
65 HD22 LEU 8 1HD2 LEU 8 -7.842 -2.457 -2.766
66 HD23 LEU 8 2HD2 LEU 8 -7.337 -2.581 -4.451
67 H ALA 9 H ALA 9 -6.039 1.652 -6.924
68 HA ALA 9 HA ALA 9 -8.001 3.105 -5.554
69 HB1 ALA 9 1HB ALA 9 -6.181 4.254 -6.591
70 HB2 ALA 9 2HB ALA 9 -6.641 3.655 -8.185
71 HB3 ALA 9 3HB ALA 9 -7.674 4.812 -7.346
72 H ALA 10 H ALA 10 -8.090 1.489 -8.701
73 HA ALA 10 HA ALA 10 -10.620 2.411 -9.512
74 HB1 ALA 10 1HB ALA 10 -9.204 1.453 -11.151
75 HB2 ALA 10 2HB ALA 10 -9.057 -0.053 -10.244
76 HB3 ALA 10 3HB ALA 10 -10.593 0.376 -10.998
77 H SER 11 H SER 11 -9.639 -0.492 -7.727
78 HA SER 11 HA SER 11 -12.188 -1.675 -7.576
79 HB2 SER 11 2HB SER 11 -9.790 -1.927 -5.747
80 HB3 SER 11 3HB SER 11 -11.223 -2.951 -5.647
81 HG SER 11 HG SER 11 -9.225 -3.551 -7.023
82 H PHE 12 H PHE 12 -10.468 0.481 -5.343
83 HA PHE 12 HA PHE 12 -12.557 0.533 -3.409
84 HB2 PHE 12 2HB PHE 12 -10.022 2.039 -3.860
85 HB3 PHE 12 3HB PHE 12 -11.221 2.744 -2.780
86 HD1 PHE 12 HD2 PHE 12 -10.594 -0.867 -3.203
87 HD2 PHE 12 HD1 PHE 12 -10.035 2.565 -0.749
88 HE1 PHE 12 HE2 PHE 12 -9.789 -2.307 -1.378
89 HE2 PHE 12 HE1 PHE 12 -9.228 1.131 1.080
90 HZ PHE 12 HZ PHE 12 -9.106 -1.309 0.768
91 H ILE 13 H ILE 13 -11.884 2.306 -6.313
92 HA ILE 13 HA ILE 13 -13.620 4.512 -5.737
93 HB ILE 13 HB ILE 13 -12.162 3.569 -8.172
94 HG12 ILE 13 2HG1 ILE 13 -11.036 4.980 -6.477
95 HG13 ILE 13 3HG1 ILE 13 -11.150 5.779 -8.041
96 HG21 ILE 13 1HG2 ILE 13 -14.416 5.555 -8.112
97 HG22 ILE 13 2HG2 ILE 13 -13.177 5.562 -9.366
98 HG23 ILE 13 3HG2 ILE 13 -14.219 4.153 -9.163
99 HD11 ILE 13 3HD1 ILE 13 -12.325 7.461 -7.198
100 HD12 ILE 13 1HD1 ILE 13 -13.411 6.377 -6.328
101 HD13 ILE 13 2HD1 ILE 13 -11.867 6.841 -5.612
102 H VAL 14 H VAL 14 -13.893 1.498 -7.565
103 HA VAL 14 HA VAL 14 -16.498 2.032 -8.583
104 HB VAL 14 HB VAL 14 -15.083 -0.615 -8.234
105 HG11 VAL 14 1HG1 VAL 14 -17.688 0.155 -9.427
106 HG12 VAL 14 2HG1 VAL 14 -16.729 -1.065 -10.267
107 HG13 VAL 14 3HG1 VAL 14 -17.217 -1.324 -8.592
108 HG21 VAL 14 3HG2 VAL 14 -14.532 1.544 -9.959
109 HG22 VAL 14 1HG2 VAL 14 -13.841 -0.078 -9.995
110 HG23 VAL 14 2HG2 VAL 14 -15.283 0.287 -10.942
111 H ARG 15 H ARG 15 -15.301 0.917 -5.561
112 HA ARG 15 HA ARG 15 -17.738 -0.399 -4.755
113 HB2 ARG 15 2HB ARG 15 -16.453 -1.267 -3.146
114 HB3 ARG 15 3HB ARG 15 -15.092 -0.428 -3.879
115 HG2 ARG 15 2HG ARG 15 -15.481 1.491 -2.426
116 HG3 ARG 15 3HG ARG 15 -16.860 0.663 -1.699
117 HD2 ARG 15 2HD ARG 15 -14.310 -0.822 -1.713
118 HD3 ARG 15 3HD ARG 15 -14.369 0.605 -0.679
119 HE ARG 15 HE ARG 15 -15.721 -1.888 -0.264
120 HH11 ARG 15 1HH1 ARG 15 -15.811 1.534 0.370
121 HH12 ARG 15 2HH1 ARG 15 -16.767 1.375 1.807
122 HH21 ARG 15 1HH2 ARG 15 -16.980 -2.110 1.626
123 HH22 ARG 15 2HH2 ARG 15 -17.430 -0.698 2.520
124 H CYS 16 H CYS 16 -16.170 2.713 -4.205
125 HA CYS 16 HA CYS 16 -18.269 3.595 -2.415
126 HB2 CYS 16 2HB CYS 16 -15.913 5.093 -3.583
127 HB3 CYS 16 3HB CYS 16 -16.998 5.712 -2.343
128 HG CYS 16 HG CYS 16 -14.503 3.455 -2.073
129 H ALA 17 H ALA 17 -17.281 4.063 -5.749
130 HA ALA 17 HA ALA 17 -18.935 6.248 -6.372
131 HB1 ALA 17 1HB ALA 17 -18.584 5.654 -8.688
132 HB2 ALA 17 2HB ALA 17 -17.077 5.466 -7.792
133 HB3 ALA 17 3HB ALA 17 -18.030 4.046 -8.222
134 H PHE 18 H PHE 18 -19.525 2.771 -6.382
135 HA PHE 18 HA PHE 18 -22.111 2.963 -7.583
136 HB2 PHE 18 2HB PHE 18 -20.506 0.921 -7.459
137 HB3 PHE 18 3HB PHE 18 -21.232 0.653 -5.877
138 HD1 PHE 18 HD1 PHE 18 -21.953 0.897 -9.490
139 HD2 PHE 18 HD2 PHE 18 -23.368 -0.313 -5.663
140 HE1 PHE 18 HE1 PHE 18 -23.835 -0.274 -10.560
141 HE2 PHE 18 HE2 PHE 18 -25.251 -1.486 -6.726
142 HZ PHE 18 HZ PHE 18 -25.486 -1.469 -9.177
143 H GLU 19 H GLU 19 -20.894 2.786 -4.280
144 HA GLU 19 HA GLU 19 -23.512 2.615 -3.108
145 HB2 GLU 19 2HB GLU 19 -21.821 1.622 -1.816
146 HB3 GLU 19 3HB GLU 19 -20.739 2.993 -2.014
147 HG2 GLU 19 2HG GLU 19 -21.666 4.152 -0.318
148 HG3 GLU 19 3HG GLU 19 -23.288 3.538 -0.638
149 H HIS 20 H HIS 20 -21.325 5.146 -4.035
150 HA HIS 20 HA HIS 20 -22.449 7.213 -2.438
151 HB2 HIS 20 2HB HIS 20 -20.183 7.332 -3.444
152 HB3 HIS 20 3HB HIS 20 -20.920 7.453 -5.038
153 HD1 HIS 20 HD1 HIS 20 -19.779 9.473 -2.248
154 HD2 HIS 20 HD2 HIS 20 -22.530 9.894 -5.333
155 HE1 HIS 20 HE1 HIS 20 -20.251 11.939 -2.397
156 H SER 21 H SER 21 -23.113 5.963 -5.656
157 HA SER 21 HA SER 21 -25.035 8.047 -6.236
158 HB2 SER 21 2HB SER 21 -24.463 5.499 -7.768
159 HB3 SER 21 3HB SER 21 -25.356 6.900 -8.357
160 HG SER 21 HG SER 21 -22.775 7.333 -7.403
161 H ARG 22 H ARG 22 -25.030 4.718 -5.145
162 HA ARG 22 HA ARG 22 -27.687 4.032 -5.561
163 HB2 ARG 22 2HB ARG 22 -25.631 2.704 -4.552
164 HB3 ARG 22 3HB ARG 22 -26.355 3.193 -3.026
165 HG2 ARG 22 2HG ARG 22 -28.479 2.151 -3.746
166 HG3 ARG 22 3HG ARG 22 -27.663 1.578 -5.202
167 HD2 ARG 22 2HD ARG 22 -27.717 -0.192 -3.566
168 HD3 ARG 22 3HD ARG 22 -26.056 0.358 -3.779
169 HE ARG 22 HE ARG 22 -27.440 1.635 -1.604
170 HH11 ARG 22 1HH1 ARG 22 -25.525 -1.105 -2.576
171 HH12 ARG 22 2HH1 ARG 22 -24.944 -1.432 -0.977
172 HH21 ARG 22 1HH2 ARG 22 -26.681 1.216 0.506
173 HH22 ARG 22 2HH2 ARG 22 -25.603 -0.111 0.775
174 H ARG 23 H ARG 23 -26.212 5.786 -2.862
175 HA ARG 23 HA ARG 23 -28.443 5.950 -1.198
176 HB2 ARG 23 2HB ARG 23 -26.437 8.177 -1.490
177 HB3 ARG 23 3HB ARG 23 -27.310 7.676 -0.048
178 HG2 ARG 23 2HG ARG 23 -25.878 5.423 -0.804
179 HG3 ARG 23 3HG ARG 23 -24.771 6.770 -1.078
180 HD2 ARG 23 2HD ARG 23 -24.317 6.483 1.113
181 HD3 ARG 23 3HD ARG 23 -25.766 7.465 1.322
182 HE ARG 23 HE ARG 23 -26.565 4.802 1.167
183 HH11 ARG 23 1HH1 ARG 23 -24.703 6.860 3.267
184 HH12 ARG 23 2HH1 ARG 23 -25.071 5.954 4.697
185 HH21 ARG 23 1HH2 ARG 23 -27.058 3.601 3.042
186 HH22 ARG 23 2HH2 ARG 23 -26.410 4.100 4.568
187 H PHE 24 H PHE 24 -27.633 7.703 -4.094
188 HA PHE 24 HA PHE 24 -29.636 9.743 -3.684
189 HB2 PHE 24 2HB PHE 24 -27.465 10.074 -4.957
190 HB3 PHE 24 3HB PHE 24 -28.176 9.115 -6.251
191 HD1 PHE 24 HD2 PHE 24 -30.038 9.976 -7.559
192 HD2 PHE 24 HD1 PHE 24 -28.199 12.315 -4.516
193 HE1 PHE 24 HE2 PHE 24 -31.113 11.995 -8.466
194 HE2 PHE 24 HE1 PHE 24 -29.272 14.338 -5.417
195 HZ PHE 24 HZ PHE 24 -30.730 14.180 -7.396
196 H THR 25 H THR 25 -29.270 6.806 -5.604
197 HA THR 25 HA THR 25 -31.881 7.140 -6.825
198 HB THR 25 HB THR 25 -29.848 6.113 -7.994
199 HG1 THR 25 HG1 THR 25 -31.290 4.485 -8.990
200 HG21 THR 25 3HG2 THR 25 -30.618 3.453 -7.038
201 HG22 THR 25 1HG2 THR 25 -29.806 4.443 -5.826
202 HG23 THR 25 2HG2 THR 25 -29.019 4.118 -7.371
Start of MODEL 15
1 H1 GLN 1 H GLN 1 4.368 -0.533 -1.137
2 HA GLN 1 HA GLN 1 2.246 -1.011 -1.963
3 HB2 GLN 1 2HB GLN 1 2.232 -0.391 0.561
4 HB3 GLN 1 3HB GLN 1 1.402 1.067 0.032
5 HG2 GLN 1 2HG GLN 1 -0.462 -0.119 0.275
6 HG3 GLN 1 3HG GLN 1 -0.009 -0.889 -1.245
7 HE21 GLN 1 1HE2 GLN 1 -0.070 -3.007 -1.205
8 HE22 GLN 1 2HE2 GLN 1 0.191 -4.014 0.174
9 H ARG 2 H ARG 2 3.583 1.718 -2.912
10 HA ARG 2 HA ARG 2 1.299 3.282 -3.669
11 HB2 ARG 2 2HB ARG 2 4.051 3.494 -4.874
12 HB3 ARG 2 3HB ARG 2 2.834 4.753 -4.708
13 HG2 ARG 2 2HG ARG 2 3.375 5.189 -2.552
14 HG3 ARG 2 3HG ARG 2 3.835 3.519 -2.214
15 HD2 ARG 2 2HD ARG 2 5.891 4.527 -2.183
16 HD3 ARG 2 3HD ARG 2 5.791 4.064 -3.881
17 HE ARG 2 HE ARG 2 4.736 6.589 -3.769
18 HH11 ARG 2 1HH1 ARG 2 7.761 5.113 -2.882
19 HH12 ARG 2 2HH1 ARG 2 8.693 6.545 -3.168
20 HH21 ARG 2 1HH2 ARG 2 5.952 8.480 -4.150
21 HH22 ARG 2 2HH2 ARG 2 7.663 8.460 -3.889
22 H SER 3 H SER 3 3.472 1.014 -5.297
23 HA SER 3 HA SER 3 2.517 1.333 -7.904
24 HB2 SER 3 2HB SER 3 3.606 -1.181 -6.612
25 HB3 SER 3 3HB SER 3 3.481 -0.884 -8.346
26 HG SER 3 HG SER 3 4.787 1.140 -7.596
27 H ASN 4 H ASN 4 1.381 -0.719 -5.265
28 HA ASN 4 HA ASN 4 -0.657 -1.958 -6.886
29 HB2 ASN 4 2HB ASN 4 -0.179 -2.031 -3.898
30 HB3 ASN 4 3HB ASN 4 -1.363 -3.014 -4.755
31 HD21 ASN 4 1HD2 ASN 4 0.367 -4.355 -3.302
32 HD22 ASN 4 2HD2 ASN 4 1.572 -5.122 -4.274
33 H PHE 5 H PHE 5 -0.350 0.895 -5.031
34 HA PHE 5 HA PHE 5 -3.033 1.255 -4.226
35 HB2 PHE 5 2HB PHE 5 -1.064 2.531 -3.342
36 HB3 PHE 5 3HB PHE 5 -1.018 3.417 -4.863
37 HD1 PHE 5 HD2 PHE 5 -3.277 2.612 -2.021
38 HD2 PHE 5 HD1 PHE 5 -2.250 5.359 -5.106
39 HE1 PHE 5 HE2 PHE 5 -4.910 4.221 -1.127
40 HE2 PHE 5 HE1 PHE 5 -3.881 6.973 -4.217
41 HZ PHE 5 HZ PHE 5 -5.214 6.404 -2.226
42 H HIS 6 H HIS 6 -1.276 2.114 -7.159
43 HA HIS 6 HA HIS 6 -3.185 3.749 -8.365
44 HB2 HIS 6 2HB HIS 6 -0.895 2.119 -9.297
45 HB3 HIS 6 3HB HIS 6 -2.089 2.543 -10.521
46 HD1 HIS 6 HD1 HIS 6 0.934 3.649 -10.177
47 HD2 HIS 6 HD2 HIS 6 -2.606 5.645 -9.317
48 HE1 HIS 6 HE1 HIS 6 1.498 6.097 -10.292
49 HA PRO 7 HA PRO 7 -5.005 -0.208 -10.467
50 HB2 PRO 7 2HB PRO 7 -4.234 -2.608 -9.460
51 HB3 PRO 7 3HB PRO 7 -3.372 -1.795 -10.772
52 HG2 PRO 7 2HG PRO 7 -2.727 -1.881 -7.850
53 HG3 PRO 7 3HG PRO 7 -1.639 -2.042 -9.241
54 HD2 PRO 7 2HD PRO 7 -1.890 0.265 -7.847
55 HD3 PRO 7 3HD PRO 7 -1.541 0.235 -9.587
56 H LEU 8 H LEU 8 -4.408 -0.095 -7.032
57 HA LEU 8 HA LEU 8 -6.787 -1.573 -6.337
58 HB2 LEU 8 2HB LEU 8 -4.795 -1.644 -4.920
59 HB3 LEU 8 3HB LEU 8 -4.933 0.090 -4.637
60 HG LEU 8 HG LEU 8 -5.735 -1.550 -2.812
61 HD11 LEU 8 1HD1 LEU 8 -7.946 0.296 -3.283
62 HD12 LEU 8 2HD1 LEU 8 -6.355 1.041 -3.432
63 HD13 LEU 8 3HD1 LEU 8 -6.803 0.209 -1.943
64 HD21 LEU 8 3HD2 LEU 8 -8.358 -1.496 -4.187
65 HD22 LEU 8 1HD2 LEU 8 -7.690 -2.675 -3.057
66 HD23 LEU 8 2HD2 LEU 8 -7.177 -2.683 -4.745
67 H ALA 9 H ALA 9 -5.920 1.718 -6.931
68 HA ALA 9 HA ALA 9 -7.903 3.056 -5.476
69 HB1 ALA 9 1HB ALA 9 -6.093 4.291 -6.429
70 HB2 ALA 9 2HB ALA 9 -6.541 3.792 -8.060
71 HB3 ALA 9 3HB ALA 9 -7.590 4.879 -7.152
72 H ALA 10 H ALA 10 -7.963 1.648 -8.722
73 HA ALA 10 HA ALA 10 -10.501 2.593 -9.482
74 HB1 ALA 10 1HB ALA 10 -10.446 0.658 -11.097
75 HB2 ALA 10 2HB ALA 10 -9.069 1.759 -11.175
76 HB3 ALA 10 3HB ALA 10 -8.907 0.199 -10.367
77 H SER 11 H SER 11 -9.493 -0.409 -7.886
78 HA SER 11 HA SER 11 -12.028 -1.628 -7.823
79 HB2 SER 11 2HB SER 11 -9.633 -1.973 -6.006
80 HB3 SER 11 3HB SER 11 -11.055 -3.016 -5.977
81 HG SER 11 HG SER 11 -9.518 -2.565 -8.313
82 H PHE 12 H PHE 12 -10.340 0.396 -5.448
83 HA PHE 12 HA PHE 12 -12.436 0.299 -3.523
84 HB2 PHE 12 2HB PHE 12 -9.918 1.859 -3.865
85 HB3 PHE 12 3HB PHE 12 -11.127 2.479 -2.746
86 HD1 PHE 12 HD2 PHE 12 -10.458 -1.090 -3.400
87 HD2 PHE 12 HD1 PHE 12 -9.945 2.182 -0.726
88 HE1 PHE 12 HE2 PHE 12 -9.643 -2.637 -1.669
89 HE2 PHE 12 HE1 PHE 12 -9.128 0.640 1.009
90 HZ PHE 12 HZ PHE 12 -8.977 -1.773 0.539
91 H ILE 13 H ILE 13 -11.774 2.265 -6.302
92 HA ILE 13 HA ILE 13 -13.538 4.409 -5.591
93 HB ILE 13 HB ILE 13 -12.061 3.643 -8.076
94 HG12 ILE 13 2HG1 ILE 13 -10.957 4.953 -6.288
95 HG13 ILE 13 3HG1 ILE 13 -11.075 5.852 -7.797
96 HG21 ILE 13 1HG2 ILE 13 -14.338 5.596 -7.895
97 HG22 ILE 13 2HG2 ILE 13 -13.096 5.698 -9.141
98 HG23 ILE 13 3HG2 ILE 13 -14.121 4.268 -9.034
99 HD11 ILE 13 3HD1 ILE 13 -11.813 6.740 -5.303
100 HD12 ILE 13 1HD1 ILE 13 -12.268 7.463 -6.845
101 HD13 ILE 13 2HD1 ILE 13 -13.348 6.311 -6.058
102 H VAL 14 H VAL 14 -13.770 1.517 -7.611
103 HA VAL 14 HA VAL 14 -16.378 2.087 -8.603
104 HB VAL 14 HB VAL 14 -14.933 -0.561 -8.422
105 HG11 VAL 14 1HG1 VAL 14 -16.574 -0.874 -10.497
106 HG12 VAL 14 2HG1 VAL 14 -17.045 -1.285 -8.846
107 HG13 VAL 14 3HG1 VAL 14 -17.549 0.251 -9.552
108 HG21 VAL 14 3HG2 VAL 14 -15.156 0.565 -11.060
109 HG22 VAL 14 1HG2 VAL 14 -14.356 1.698 -9.970
110 HG23 VAL 14 2HG2 VAL 14 -13.714 0.067 -10.173
111 H ARG 15 H ARG 15 -15.177 0.791 -5.656
112 HA ARG 15 HA ARG 15 -17.601 -0.603 -4.947
113 HB2 ARG 15 2HB ARG 15 -16.311 -1.559 -3.392
114 HB3 ARG 15 3HB ARG 15 -14.958 -0.658 -4.064
115 HG2 ARG 15 2HG ARG 15 -15.374 1.157 -2.491
116 HG3 ARG 15 3HG ARG 15 -16.745 0.268 -1.824
117 HD2 ARG 15 2HD ARG 15 -13.997 -0.930 -1.909
118 HD3 ARG 15 3HD ARG 15 -14.489 0.139 -0.596
119 HE ARG 15 HE ARG 15 -15.296 -2.580 -1.005
120 HH11 ARG 15 1HH1 ARG 15 -16.218 0.479 0.378
121 HH12 ARG 15 2HH1 ARG 15 -17.277 -0.225 1.555
122 HH21 ARG 15 1HH2 ARG 15 -16.688 -3.518 0.540
123 HH22 ARG 15 2HH2 ARG 15 -17.543 -2.498 1.646
124 H CYS 16 H CYS 16 -16.071 2.484 -4.189
125 HA CYS 16 HA CYS 16 -18.186 3.224 -2.353
126 HB2 CYS 16 2HB CYS 16 -15.844 4.821 -3.412
127 HB3 CYS 16 3HB CYS 16 -16.940 5.346 -2.139
128 HG CYS 16 HG CYS 16 -14.484 3.012 -2.009
129 H ALA 17 H ALA 17 -17.193 3.920 -5.646
130 HA ALA 17 HA ALA 17 -18.870 6.122 -6.131
131 HB1 ALA 17 1HB ALA 17 -17.933 4.055 -8.117
132 HB2 ALA 17 2HB ALA 17 -18.504 5.684 -8.480
133 HB3 ALA 17 3HB ALA 17 -16.998 5.456 -7.591
134 H PHE 18 H PHE 18 -19.419 2.647 -6.369
135 HA PHE 18 HA PHE 18 -22.001 2.883 -7.570
136 HB2 PHE 18 2HB PHE 18 -20.375 0.855 -7.564
137 HB3 PHE 18 3HB PHE 18 -21.100 0.483 -6.003
138 HD1 PHE 18 HD2 PHE 18 -23.701 0.377 -5.961
139 HD2 PHE 18 HD1 PHE 18 -21.343 0.041 -9.488
140 HE1 PHE 18 HE2 PHE 18 -25.569 -0.752 -7.098
141 HE2 PHE 18 HE1 PHE 18 -23.207 -1.087 -10.631
142 HZ PHE 18 HZ PHE 18 -25.323 -1.486 -9.435
143 H GLU 19 H GLU 19 -20.800 2.522 -4.276
144 HA GLU 19 HA GLU 19 -23.426 2.254 -3.136
145 HB2 GLU 19 2HB GLU 19 -21.735 1.190 -1.900
146 HB3 GLU 19 3HB GLU 19 -20.664 2.580 -1.999
147 HG2 GLU 19 2HG GLU 19 -21.616 3.617 -0.238
148 HG3 GLU 19 3HG GLU 19 -23.228 3.010 -0.611
149 H HIS 20 H HIS 20 -21.255 4.851 -3.892
150 HA HIS 20 HA HIS 20 -22.405 6.805 -2.172
151 HB2 HIS 20 2HB HIS 20 -20.129 7.000 -3.142
152 HB3 HIS 20 3HB HIS 20 -20.849 7.221 -4.734
153 HD1 HIS 20 HD1 HIS 20 -22.053 9.488 -5.183
154 HD2 HIS 20 HD2 HIS 20 -20.160 9.239 -1.493
155 HE1 HIS 20 HE1 HIS 20 -21.954 11.847 -4.318
156 H SER 21 H SER 21 -23.027 5.758 -5.470
157 HA SER 21 HA SER 21 -24.947 7.867 -5.947
158 HB2 SER 21 2HB SER 21 -24.366 5.407 -7.613
159 HB3 SER 21 3HB SER 21 -25.248 6.843 -8.131
160 HG SER 21 HG SER 21 -22.550 6.874 -7.258
161 H ARG 22 H ARG 22 -24.957 4.468 -5.080
162 HA ARG 22 HA ARG 22 -27.631 3.849 -5.537
163 HB2 ARG 22 2HB ARG 22 -25.596 2.398 -4.693
164 HB3 ARG 22 3HB ARG 22 -26.256 2.779 -3.108
165 HG2 ARG 22 2HG ARG 22 -28.436 1.855 -3.856
166 HG3 ARG 22 3HG ARG 22 -27.657 1.356 -5.359
167 HD2 ARG 22 2HD ARG 22 -26.479 -0.315 -4.355
168 HD3 ARG 22 3HD ARG 22 -26.368 0.540 -2.817
169 HE ARG 22 HE ARG 22 -29.025 -0.351 -3.482
170 HH11 ARG 22 1HH1 ARG 22 -26.002 -1.185 -1.970
171 HH12 ARG 22 2HH1 ARG 22 -26.699 -2.397 -0.946
172 HH21 ARG 22 1HH2 ARG 22 -29.954 -1.944 -2.139
173 HH22 ARG 22 2HH2 ARG 22 -28.946 -2.828 -1.044
174 H ARG 23 H ARG 23 -26.099 5.359 -2.727
175 HA ARG 23 HA ARG 23 -28.301 5.397 -1.015
176 HB2 ARG 23 2HB ARG 23 -26.328 5.996 0.031
177 HB3 ARG 23 3HB ARG 23 -25.831 7.055 -1.282
178 HG2 ARG 23 2HG ARG 23 -27.028 8.830 -0.494
179 HG3 ARG 23 3HG ARG 23 -28.231 7.808 0.297
180 HD2 ARG 23 2HD ARG 23 -27.135 8.478 2.159
181 HD3 ARG 23 3HD ARG 23 -26.074 7.136 1.733
182 HE ARG 23 HE ARG 23 -25.169 9.460 0.446
183 HH11 ARG 23 1HH1 ARG 23 -25.425 8.090 3.636
184 HH12 ARG 23 2HH1 ARG 23 -24.050 8.944 4.255
185 HH21 ARG 23 1HH2 ARG 23 -23.357 10.590 1.249
186 HH22 ARG 23 2HH2 ARG 23 -22.876 10.367 2.897
187 H PHE 24 H PHE 24 -27.535 7.367 -3.776
188 HA PHE 24 HA PHE 24 -29.504 9.387 -3.163
189 HB2 PHE 24 2HB PHE 24 -27.358 9.797 -4.455
190 HB3 PHE 24 3HB PHE 24 -28.108 8.948 -5.803
191 HD1 PHE 24 HD1 PHE 24 -30.102 9.900 -6.905
192 HD2 PHE 24 HD2 PHE 24 -27.943 12.030 -3.920
193 HE1 PHE 24 HE1 PHE 24 -31.174 11.993 -7.629
194 HE2 PHE 24 HE2 PHE 24 -29.012 14.127 -4.638
195 HZ PHE 24 HZ PHE 24 -30.630 14.110 -6.494
196 H THR 25 H THR 25 -29.213 6.610 -5.318
197 HA THR 25 HA THR 25 -31.847 7.063 -6.448
198 HB THR 25 HB THR 25 -29.853 6.113 -7.741
199 HG1 THR 25 HG1 THR 25 -31.386 4.481 -8.739
200 HG21 THR 25 3HG2 THR 25 -29.780 4.277 -5.713
201 HG22 THR 25 1HG2 THR 25 -29.030 4.068 -7.295
202 HG23 THR 25 2HG2 THR 25 -30.628 3.392 -6.981
Start of MODEL 16
1 H1 GLN 1 H GLN 1 1.248 -0.659 0.589
2 HA GLN 1 HA GLN 1 2.964 0.644 -0.770
3 HB2 GLN 1 2HB GLN 1 1.527 -1.801 -1.557
4 HB3 GLN 1 3HB GLN 1 2.382 -1.000 -2.868
5 HG2 GLN 1 2HG GLN 1 3.665 -1.733 -0.251
6 HG3 GLN 1 3HG GLN 1 3.673 -2.774 -1.674
7 HE21 GLN 1 1HE2 GLN 1 5.292 -2.551 -3.047
8 HE22 GLN 1 2HE2 GLN 1 6.375 -1.207 -3.125
9 H ARG 2 H ARG 2 3.311 1.897 -2.587
10 HA ARG 2 HA ARG 2 1.050 3.413 -3.495
11 HB2 ARG 2 2HB ARG 2 3.835 3.563 -4.631
12 HB3 ARG 2 3HB ARG 2 2.613 4.826 -4.570
13 HG2 ARG 2 2HG ARG 2 3.092 5.382 -2.426
14 HG3 ARG 2 3HG ARG 2 3.545 3.735 -1.984
15 HD2 ARG 2 2HD ARG 2 5.598 4.746 -1.951
16 HD3 ARG 2 3HD ARG 2 5.545 4.194 -3.625
17 HE ARG 2 HE ARG 2 4.475 6.745 -3.599
18 HH11 ARG 2 1HH1 ARG 2 7.513 5.226 -2.836
19 HH12 ARG 2 2HH1 ARG 2 8.460 6.620 -3.239
20 HH21 ARG 2 1HH2 ARG 2 5.710 8.587 -4.133
21 HH22 ARG 2 2HH2 ARG 2 7.433 8.531 -3.976
22 H SER 3 H SER 3 3.269 1.062 -4.931
23 HA SER 3 HA SER 3 2.389 1.233 -7.577
24 HB2 SER 3 2HB SER 3 3.442 -1.202 -6.115
25 HB3 SER 3 3HB SER 3 3.364 -1.006 -7.866
26 HG SER 3 HG SER 3 4.670 1.020 -7.307
27 H ASN 4 H ASN 4 1.179 -0.671 -4.862
28 HA ASN 4 HA ASN 4 -0.812 -2.001 -6.469
29 HB2 ASN 4 2HB ASN 4 -0.420 -1.907 -3.470
30 HB3 ASN 4 3HB ASN 4 -1.579 -2.938 -4.304
31 HD21 ASN 4 1HD2 ASN 4 -0.920 -4.942 -4.459
32 HD22 ASN 4 2HD2 ASN 4 0.710 -5.471 -4.681
33 H PHE 5 H PHE 5 -0.559 0.951 -4.768
34 HA PHE 5 HA PHE 5 -3.265 1.351 -4.063
35 HB2 PHE 5 2HB PHE 5 -1.324 2.678 -3.193
36 HB3 PHE 5 3HB PHE 5 -1.230 3.476 -4.759
37 HD1 PHE 5 HD1 PHE 5 -4.078 2.586 -2.519
38 HD2 PHE 5 HD2 PHE 5 -1.951 5.645 -4.577
39 HE1 PHE 5 HE1 PHE 5 -5.738 4.240 -1.769
40 HE2 PHE 5 HE2 PHE 5 -3.607 7.304 -3.829
41 HZ PHE 5 HZ PHE 5 -5.503 6.603 -2.422
42 H HIS 6 H HIS 6 -1.422 2.050 -6.986
43 HA HIS 6 HA HIS 6 -3.294 3.612 -8.337
44 HB2 HIS 6 2HB HIS 6 -0.979 1.934 -9.110
45 HB3 HIS 6 3HB HIS 6 -2.137 2.290 -10.389
46 HD1 HIS 6 HD1 HIS 6 0.912 3.498 -9.324
47 HD2 HIS 6 HD2 HIS 6 -2.721 5.369 -10.073
48 HE1 HIS 6 HE1 HIS 6 1.472 5.915 -9.735
49 HA PRO 7 HA PRO 7 -5.055 -0.457 -10.267
50 HB2 PRO 7 2HB PRO 7 -4.315 -2.797 -9.106
51 HB3 PRO 7 3HB PRO 7 -3.415 -2.057 -10.436
52 HG2 PRO 7 2HG PRO 7 -2.855 -1.981 -7.496
53 HG3 PRO 7 3HG PRO 7 -1.728 -2.217 -8.844
54 HD2 PRO 7 2HD PRO 7 -2.017 0.164 -7.588
55 HD3 PRO 7 3HD PRO 7 -1.618 0.037 -9.313
56 H LEU 8 H LEU 8 -4.557 -0.156 -6.827
57 HA LEU 8 HA LEU 8 -6.959 -1.592 -6.123
58 HB2 LEU 8 2HB LEU 8 -5.142 -1.688 -4.584
59 HB3 LEU 8 3HB LEU 8 -5.014 0.069 -4.537
60 HG LEU 8 HG LEU 8 -7.556 -1.166 -3.614
61 HD11 LEU 8 1HD1 LEU 8 -4.999 -1.882 -2.531
62 HD12 LEU 8 2HD1 LEU 8 -6.609 -2.418 -2.049
63 HD13 LEU 8 3HD1 LEU 8 -5.921 -0.953 -1.349
64 HD21 LEU 8 3HD2 LEU 8 -5.968 1.302 -3.162
65 HD22 LEU 8 1HD2 LEU 8 -6.986 0.720 -1.844
66 HD23 LEU 8 2HD2 LEU 8 -7.703 1.099 -3.410
67 H ALA 9 H ALA 9 -6.076 1.651 -6.894
68 HA ALA 9 HA ALA 9 -8.069 3.089 -5.559
69 HB1 ALA 9 1HB ALA 9 -6.257 4.259 -6.577
70 HB2 ALA 9 2HB ALA 9 -6.676 3.635 -8.173
71 HB3 ALA 9 3HB ALA 9 -7.743 4.785 -7.368
72 H ALA 10 H ALA 10 -8.109 1.468 -8.705
73 HA ALA 10 HA ALA 10 -10.641 2.358 -9.543
74 HB1 ALA 10 1HB ALA 10 -10.579 0.312 -11.017
75 HB2 ALA 10 2HB ALA 10 -9.205 1.409 -11.167
76 HB3 ALA 10 3HB ALA 10 -9.041 -0.089 -10.251
77 H SER 11 H SER 11 -9.650 -0.530 -7.739
78 HA SER 11 HA SER 11 -12.194 -1.730 -7.608
79 HB2 SER 11 2HB SER 11 -9.804 -1.973 -5.768
80 HB3 SER 11 3HB SER 11 -11.232 -3.004 -5.676
81 HG SER 11 HG SER 11 -10.212 -4.168 -7.096
82 H PHE 12 H PHE 12 -10.498 0.440 -5.372
83 HA PHE 12 HA PHE 12 -12.590 0.475 -3.441
84 HB2 PHE 12 2HB PHE 12 -10.115 2.102 -3.907
85 HB3 PHE 12 3HB PHE 12 -11.306 2.641 -2.728
86 HD1 PHE 12 HD1 PHE 12 -9.860 -0.681 -3.630
87 HD2 PHE 12 HD2 PHE 12 -10.624 2.197 -0.589
88 HE1 PHE 12 HE1 PHE 12 -8.879 -2.194 -1.957
89 HE2 PHE 12 HE2 PHE 12 -9.644 0.689 1.089
90 HZ PHE 12 HZ PHE 12 -8.769 -1.510 0.407
91 H ILE 13 H ILE 13 -11.933 2.247 -6.348
92 HA ILE 13 HA ILE 13 -13.695 4.435 -5.777
93 HB ILE 13 HB ILE 13 -12.218 3.510 -8.208
94 HG12 ILE 13 2HG1 ILE 13 -11.109 4.927 -6.508
95 HG13 ILE 13 3HG1 ILE 13 -11.229 5.732 -8.069
96 HG21 ILE 13 1HG2 ILE 13 -14.490 5.477 -8.149
97 HG22 ILE 13 2HG2 ILE 13 -13.248 5.496 -9.400
98 HG23 ILE 13 3HG2 ILE 13 -14.278 4.078 -9.203
99 HD11 ILE 13 3HD1 ILE 13 -11.964 6.769 -5.629
100 HD12 ILE 13 1HD1 ILE 13 -12.412 7.402 -7.213
101 HD13 ILE 13 2HD1 ILE 13 -13.498 6.303 -6.362
102 H VAL 14 H VAL 14 -13.924 1.419 -7.606
103 HA VAL 14 HA VAL 14 -16.531 1.922 -8.636
104 HB VAL 14 HB VAL 14 -15.084 -0.707 -8.283
105 HG11 VAL 14 1HG1 VAL 14 -16.654 -1.426 -10.130
106 HG12 VAL 14 2HG1 VAL 14 -17.385 -1.195 -8.541
107 HG13 VAL 14 3HG1 VAL 14 -17.580 0.035 -9.790
108 HG21 VAL 14 3HG2 VAL 14 -15.340 0.342 -10.980
109 HG22 VAL 14 1HG2 VAL 14 -14.425 1.417 -9.922
110 HG23 VAL 14 2HG2 VAL 14 -13.915 -0.258 -10.131
111 H ARG 15 H ARG 15 -15.333 0.819 -5.610
112 HA ARG 15 HA ARG 15 -17.756 -0.528 -4.815
113 HB2 ARG 15 2HB ARG 15 -16.467 -1.380 -3.200
114 HB3 ARG 15 3HB ARG 15 -15.114 -0.523 -3.927
115 HG2 ARG 15 2HG ARG 15 -15.534 1.391 -2.476
116 HG3 ARG 15 3HG ARG 15 -16.906 0.545 -1.755
117 HD2 ARG 15 2HD ARG 15 -14.091 -0.524 -1.733
118 HD3 ARG 15 3HD ARG 15 -14.767 0.460 -0.435
119 HE ARG 15 HE ARG 15 -16.563 -1.552 -0.705
120 HH11 ARG 15 1HH1 ARG 15 -13.112 -1.448 -0.251
121 HH12 ARG 15 2HH1 ARG 15 -13.050 -2.947 0.616
122 HH21 ARG 15 1HH2 ARG 15 -16.494 -3.526 0.435
123 HH22 ARG 15 2HH2 ARG 15 -14.974 -4.129 1.004
124 H CYS 16 H CYS 16 -16.231 2.604 -4.257
125 HA CYS 16 HA CYS 16 -18.350 3.458 -2.476
126 HB2 CYS 16 2HB CYS 16 -16.008 4.986 -3.632
127 HB3 CYS 16 3HB CYS 16 -17.107 5.591 -2.398
128 HG CYS 16 HG CYS 16 -15.988 4.474 -0.350
129 H ALA 17 H ALA 17 -17.352 3.940 -5.806
130 HA ALA 17 HA ALA 17 -19.031 6.104 -6.435
131 HB1 ALA 17 1HB ALA 17 -17.155 5.348 -7.845
132 HB2 ALA 17 2HB ALA 17 -18.088 3.916 -8.282
133 HB3 ALA 17 3HB ALA 17 -18.660 5.517 -8.750
134 H PHE 18 H PHE 18 -19.576 2.620 -6.449
135 HA PHE 18 HA PHE 18 -22.156 2.775 -7.666
136 HB2 PHE 18 2HB PHE 18 -20.528 0.754 -7.527
137 HB3 PHE 18 3HB PHE 18 -21.255 0.483 -5.946
138 HD1 PHE 18 HD2 PHE 18 -23.748 0.130 -5.812
139 HD2 PHE 18 HD1 PHE 18 -21.600 0.063 -9.486
140 HE1 PHE 18 HE2 PHE 18 -25.612 -1.072 -6.876
141 HE2 PHE 18 HE1 PHE 18 -23.461 -1.139 -10.556
142 HZ PHE 18 HZ PHE 18 -25.470 -1.709 -9.251
143 H GLU 19 H GLU 19 -20.960 2.629 -4.354
144 HA GLU 19 HA GLU 19 -23.588 2.432 -3.203
145 HB2 GLU 19 2HB GLU 19 -21.897 1.452 -1.899
146 HB3 GLU 19 3HB GLU 19 -20.828 2.835 -2.085
147 HG2 GLU 19 2HG GLU 19 -21.784 3.981 -0.396
148 HG3 GLU 19 3HG GLU 19 -23.395 3.350 -0.732
149 H HIS 20 H HIS 20 -21.419 4.978 -4.122
150 HA HIS 20 HA HIS 20 -22.573 7.038 -2.534
151 HB2 HIS 20 2HB HIS 20 -20.296 7.174 -3.511
152 HB3 HIS 20 3HB HIS 20 -21.014 7.288 -5.115
153 HD1 HIS 20 HD1 HIS 20 -21.743 9.565 -5.888
154 HD2 HIS 20 HD2 HIS 20 -20.815 9.469 -1.839
155 HE1 HIS 20 HE1 HIS 20 -21.771 11.964 -5.135
156 H SER 21 H SER 21 -23.189 5.779 -5.758
157 HA SER 21 HA SER 21 -25.113 7.850 -6.372
158 HB2 SER 21 2HB SER 21 -24.525 5.289 -7.875
159 HB3 SER 21 3HB SER 21 -25.409 6.687 -8.486
160 HG SER 21 HG SER 21 -22.785 6.996 -7.528
161 H ARG 22 H ARG 22 -25.118 4.514 -5.287
162 HA ARG 22 HA ARG 22 -27.790 3.861 -5.707
163 HB2 ARG 22 2HB ARG 22 -25.754 2.472 -4.768
164 HB3 ARG 22 3HB ARG 22 -26.416 2.954 -3.212
165 HG2 ARG 22 2HG ARG 22 -28.594 1.979 -3.900
166 HG3 ARG 22 3HG ARG 22 -27.812 1.385 -5.367
167 HD2 ARG 22 2HD ARG 22 -26.582 -0.185 -4.238
168 HD3 ARG 22 3HD ARG 22 -26.574 0.742 -2.739
169 HE ARG 22 HE ARG 22 -28.436 -1.262 -3.479
170 HH11 ARG 22 1HH1 ARG 22 -28.187 1.793 -1.829
171 HH12 ARG 22 2HH1 ARG 22 -29.545 1.494 -0.795
172 HH21 ARG 22 1HH2 ARG 22 -30.226 -1.668 -2.125
173 HH22 ARG 22 2HH2 ARG 22 -30.704 -0.475 -0.964
174 H ARG 23 H ARG 23 -26.266 5.554 -2.999
175 HA ARG 23 HA ARG 23 -28.468 5.698 -1.295
176 HB2 ARG 23 2HB ARG 23 -26.501 6.375 -0.289
177 HB3 ARG 23 3HB ARG 23 -26.003 7.342 -1.671
178 HG2 ARG 23 2HG ARG 23 -27.207 9.164 -1.009
179 HG3 ARG 23 3HG ARG 23 -28.407 8.197 -0.151
180 HD2 ARG 23 2HD ARG 23 -25.631 8.146 0.883
181 HD3 ARG 23 3HD ARG 23 -26.544 9.638 1.104
182 HE ARG 23 HE ARG 23 -27.978 7.283 1.908
183 HH11 ARG 23 1HH1 ARG 23 -25.689 9.713 2.894
184 HH12 ARG 23 2HH1 ARG 23 -26.028 9.534 4.584
185 HH21 ARG 23 1HH2 ARG 23 -28.434 7.037 4.130
186 HH22 ARG 23 2HH2 ARG 23 -27.589 8.010 5.285
187 H PHE 24 H PHE 24 -27.707 7.488 -4.178
188 HA PHE 24 HA PHE 24 -29.682 9.537 -3.701
189 HB2 PHE 24 2HB PHE 24 -28.167 8.883 -6.237
190 HB3 PHE 24 3HB PHE 24 -29.080 10.355 -5.920
191 HD1 PHE 24 HD2 PHE 24 -28.235 10.935 -3.146
192 HD2 PHE 24 HD1 PHE 24 -25.989 9.636 -6.520
193 HE1 PHE 24 HE2 PHE 24 -26.219 11.982 -2.202
194 HE2 PHE 24 HE1 PHE 24 -23.968 10.680 -5.581
195 HZ PHE 24 HZ PHE 24 -24.082 11.856 -3.420
196 H THR 25 H THR 25 -29.397 6.604 -5.634
197 HA THR 25 HA THR 25 -32.102 6.969 -6.680
198 HB THR 25 HB THR 25 -29.830 5.152 -7.386
199 HG1 THR 25 HG1 THR 25 -31.620 6.580 -9.068
200 HG21 THR 25 3HG2 THR 25 -31.438 3.978 -8.945
201 HG22 THR 25 1HG2 THR 25 -32.744 4.675 -7.988
202 HG23 THR 25 2HG2 THR 25 -31.595 3.567 -7.237
Start of MODEL 17
1 H1 GLN 1 H GLN 1 1.623 -0.252 0.968
2 HA GLN 1 HA GLN 1 3.108 0.240 -0.731
3 HB2 GLN 1 2HB GLN 1 1.387 -1.741 -2.218
4 HB3 GLN 1 3HB GLN 1 3.118 -1.480 -2.386
5 HG2 GLN 1 2HG GLN 1 1.753 -2.582 0.060
6 HG3 GLN 1 3HG GLN 1 2.590 -3.535 -1.165
7 HE21 GLN 1 1HE2 GLN 1 4.826 -2.111 -1.640
8 HE22 GLN 1 2HE2 GLN 1 5.797 -2.009 -0.215
9 H ARG 2 H ARG 2 3.423 1.759 -2.231
10 HA ARG 2 HA ARG 2 1.248 3.256 -3.256
11 HB2 ARG 2 2HB ARG 2 3.260 4.439 -2.884
12 HB3 ARG 2 3HB ARG 2 4.208 3.275 -3.799
13 HG2 ARG 2 2HG ARG 2 2.152 4.477 -5.434
14 HG3 ARG 2 3HG ARG 2 3.204 5.693 -4.707
15 HD2 ARG 2 2HD ARG 2 4.705 3.430 -5.715
16 HD3 ARG 2 3HD ARG 2 3.725 4.178 -6.975
17 HE ARG 2 HE ARG 2 6.081 5.239 -5.807
18 HH11 ARG 2 1HH1 ARG 2 2.970 6.159 -7.070
19 HH12 ARG 2 2HH1 ARG 2 3.480 7.751 -7.525
20 HH21 ARG 2 1HH2 ARG 2 6.765 7.333 -6.402
21 HH22 ARG 2 2HH2 ARG 2 5.639 8.417 -7.146
22 H SER 3 H SER 3 3.447 0.890 -4.701
23 HA SER 3 HA SER 3 2.607 1.131 -7.357
24 HB2 SER 3 2HB SER 3 3.614 -1.347 -5.938
25 HB3 SER 3 3HB SER 3 3.565 -1.107 -7.684
26 HG SER 3 HG SER 3 5.291 0.103 -7.568
27 H ASN 4 H ASN 4 1.349 -0.831 -4.703
28 HA ASN 4 HA ASN 4 -0.646 -2.084 -6.370
29 HB2 ASN 4 2HB ASN 4 -0.263 -2.113 -3.368
30 HB3 ASN 4 3HB ASN 4 -1.429 -3.098 -4.246
31 HD21 ASN 4 1HD2 ASN 4 0.437 -4.252 -2.624
32 HD22 ASN 4 2HD2 ASN 4 1.587 -5.117 -3.581
33 H PHE 5 H PHE 5 -0.367 0.794 -4.547
34 HA PHE 5 HA PHE 5 -3.072 1.193 -3.840
35 HB2 PHE 5 2HB PHE 5 -1.096 2.456 -2.920
36 HB3 PHE 5 3HB PHE 5 -1.033 3.341 -4.441
37 HD1 PHE 5 HD1 PHE 5 -3.859 2.315 -2.233
38 HD2 PHE 5 HD2 PHE 5 -1.734 5.499 -4.094
39 HE1 PHE 5 HE1 PHE 5 -5.507 3.920 -1.361
40 HE2 PHE 5 HE2 PHE 5 -3.378 7.109 -3.224
41 HZ PHE 5 HZ PHE 5 -5.268 6.320 -1.856
42 H HIS 6 H HIS 6 -1.203 1.996 -6.719
43 HA HIS 6 HA HIS 6 -3.049 3.637 -8.012
44 HB2 HIS 6 2HB HIS 6 -0.748 1.968 -8.844
45 HB3 HIS 6 3HB HIS 6 -1.893 2.392 -10.113
46 HD1 HIS 6 HD1 HIS 6 -1.747 4.713 -11.056
47 HD2 HIS 6 HD2 HIS 6 0.477 4.261 -7.576
48 HE1 HIS 6 HE1 HIS 6 -0.418 6.835 -10.828
49 HA PRO 7 HA PRO 7 -4.842 -0.326 -10.127
50 HB2 PRO 7 2HB PRO 7 -4.136 -2.721 -9.062
51 HB3 PRO 7 3HB PRO 7 -3.219 -1.936 -10.353
52 HG2 PRO 7 2HG PRO 7 -2.679 -1.991 -7.409
53 HG3 PRO 7 3HG PRO 7 -1.544 -2.183 -8.759
54 HD2 PRO 7 2HD PRO 7 -1.816 0.146 -7.404
55 HD3 PRO 7 3HD PRO 7 -1.406 0.088 -9.130
56 H LEU 8 H LEU 8 -4.364 -0.180 -6.674
57 HA LEU 8 HA LEU 8 -6.787 -1.615 -6.048
58 HB2 LEU 8 2HB LEU 8 -4.983 -1.800 -4.502
59 HB3 LEU 8 3HB LEU 8 -4.833 -0.048 -4.380
60 HG LEU 8 HG LEU 8 -7.398 -1.287 -3.527
61 HD11 LEU 8 1HD1 LEU 8 -4.860 -2.090 -2.462
62 HD12 LEU 8 2HD1 LEU 8 -6.480 -2.619 -2.011
63 HD13 LEU 8 3HD1 LEU 8 -5.773 -1.197 -1.245
64 HD21 LEU 8 3HD2 LEU 8 -7.490 0.982 -3.252
65 HD22 LEU 8 1HD2 LEU 8 -5.763 1.125 -2.922
66 HD23 LEU 8 2HD2 LEU 8 -6.851 0.507 -1.678
67 H ALA 9 H ALA 9 -5.862 1.648 -6.672
68 HA ALA 9 HA ALA 9 -7.846 3.051 -5.289
69 HB1 ALA 9 1HB ALA 9 -7.490 4.818 -7.022
70 HB2 ALA 9 2HB ALA 9 -6.015 4.242 -6.246
71 HB3 ALA 9 3HB ALA 9 -6.430 3.691 -7.869
72 H ALA 10 H ALA 10 -7.884 1.566 -8.502
73 HA ALA 10 HA ALA 10 -10.400 2.522 -9.317
74 HB1 ALA 10 1HB ALA 10 -8.965 1.627 -10.971
75 HB2 ALA 10 2HB ALA 10 -8.824 0.088 -10.119
76 HB3 ALA 10 3HB ALA 10 -10.351 0.540 -10.877
77 H SER 11 H SER 11 -9.455 -0.453 -7.633
78 HA SER 11 HA SER 11 -12.014 -1.626 -7.568
79 HB2 SER 11 2HB SER 11 -9.639 -1.977 -5.726
80 HB3 SER 11 3HB SER 11 -11.080 -2.993 -5.686
81 HG SER 11 HG SER 11 -9.036 -3.484 -7.097
82 H PHE 12 H PHE 12 -10.307 0.425 -5.231
83 HA PHE 12 HA PHE 12 -12.412 0.403 -3.313
84 HB2 PHE 12 2HB PHE 12 -9.915 2.019 -3.694
85 HB3 PHE 12 3HB PHE 12 -11.108 2.521 -2.500
86 HD1 PHE 12 HD1 PHE 12 -9.692 -0.775 -3.535
87 HD2 PHE 12 HD2 PHE 12 -10.448 1.978 -0.378
88 HE1 PHE 12 HE1 PHE 12 -8.741 -2.370 -1.921
89 HE2 PHE 12 HE2 PHE 12 -9.497 0.387 1.241
90 HZ PHE 12 HZ PHE 12 -8.641 -1.789 0.470
91 H ILE 13 H ILE 13 -11.715 2.290 -6.138
92 HA ILE 13 HA ILE 13 -13.455 4.472 -5.484
93 HB ILE 13 HB ILE 13 -11.973 3.635 -7.944
94 HG12 ILE 13 2HG1 ILE 13 -10.858 4.964 -6.178
95 HG13 ILE 13 3HG1 ILE 13 -10.959 5.836 -7.704
96 HG21 ILE 13 1HG2 ILE 13 -14.222 5.624 -7.815
97 HG22 ILE 13 2HG2 ILE 13 -12.972 5.682 -9.056
98 HG23 ILE 13 3HG2 ILE 13 -14.019 4.269 -8.926
99 HD11 ILE 13 3HD1 ILE 13 -12.130 7.481 -6.787
100 HD12 ILE 13 1HD1 ILE 13 -13.233 6.361 -5.988
101 HD13 ILE 13 2HD1 ILE 13 -11.697 6.779 -5.228
102 H VAL 14 H VAL 14 -13.707 1.540 -7.443
103 HA VAL 14 HA VAL 14 -16.301 2.118 -8.466
104 HB VAL 14 HB VAL 14 -14.888 -0.542 -8.217
105 HG11 VAL 14 1HG1 VAL 14 -17.079 -1.156 -8.578
106 HG12 VAL 14 2HG1 VAL 14 -17.445 0.296 -9.512
107 HG13 VAL 14 3HG1 VAL 14 -16.485 -0.998 -10.230
108 HG21 VAL 14 3HG2 VAL 14 -13.635 0.059 -9.951
109 HG22 VAL 14 1HG2 VAL 14 -15.068 0.496 -10.882
110 HG23 VAL 14 2HG2 VAL 14 -14.303 1.687 -9.830
111 H ARG 15 H ARG 15 -15.136 0.873 -5.483
112 HA ARG 15 HA ARG 15 -17.579 -0.479 -4.761
113 HB2 ARG 15 2HB ARG 15 -16.311 -1.412 -3.175
114 HB3 ARG 15 3HB ARG 15 -14.944 -0.541 -3.857
115 HG2 ARG 15 2HG ARG 15 -15.352 1.314 -2.329
116 HG3 ARG 15 3HG ARG 15 -16.738 0.455 -1.653
117 HD2 ARG 15 2HD ARG 15 -13.898 -0.559 -1.628
118 HD3 ARG 15 3HD ARG 15 -14.689 0.251 -0.276
119 HE ARG 15 HE ARG 15 -14.993 -2.474 -1.053
120 HH11 ARG 15 1HH1 ARG 15 -16.656 0.231 0.374
121 HH12 ARG 15 2HH1 ARG 15 -17.761 -0.755 1.272
122 HH21 ARG 15 1HH2 ARG 15 -16.443 -3.783 0.125
123 HH22 ARG 15 2HH2 ARG 15 -17.638 -3.038 1.131
124 H CYS 16 H CYS 16 -16.024 2.608 -4.059
125 HA CYS 16 HA CYS 16 -18.146 3.410 -2.259
126 HB2 CYS 16 2HB CYS 16 -15.779 4.960 -3.332
127 HB3 CYS 16 3HB CYS 16 -16.879 5.524 -2.080
128 HG CYS 16 HG CYS 16 -14.484 3.122 -1.878
129 H ALA 17 H ALA 17 -17.116 4.026 -5.557
130 HA ALA 17 HA ALA 17 -18.761 6.234 -6.108
131 HB1 ALA 17 1HB ALA 17 -17.841 4.103 -8.033
132 HB2 ALA 17 2HB ALA 17 -18.392 5.728 -8.444
133 HB3 ALA 17 3HB ALA 17 -16.893 5.507 -7.542
134 H PHE 18 H PHE 18 -19.361 2.762 -6.272
135 HA PHE 18 HA PHE 18 -21.939 3.018 -7.479
136 HB2 PHE 18 2HB PHE 18 -20.332 0.967 -7.437
137 HB3 PHE 18 3HB PHE 18 -21.085 0.623 -5.884
138 HD1 PHE 18 HD1 PHE 18 -21.631 0.870 -9.501
139 HD2 PHE 18 HD2 PHE 18 -23.343 -0.162 -5.744
140 HE1 PHE 18 HE1 PHE 18 -23.497 -0.238 -10.660
141 HE2 PHE 18 HE2 PHE 18 -25.211 -1.272 -6.896
142 HZ PHE 18 HZ PHE 18 -25.290 -1.312 -9.357
143 H GLU 19 H GLU 19 -20.742 2.655 -4.182
144 HA GLU 19 HA GLU 19 -23.360 2.430 -3.029
145 HB2 GLU 19 2HB GLU 19 -21.665 1.395 -1.775
146 HB3 GLU 19 3HB GLU 19 -20.594 2.783 -1.910
147 HG2 GLU 19 2HG GLU 19 -21.536 3.858 -0.167
148 HG3 GLU 19 3HG GLU 19 -23.151 3.247 -0.520
149 H HIS 20 H HIS 20 -21.191 5.017 -3.834
150 HA HIS 20 HA HIS 20 -22.358 7.000 -2.156
151 HB2 HIS 20 2HB HIS 20 -20.067 7.170 -3.110
152 HB3 HIS 20 3HB HIS 20 -20.778 7.384 -4.707
153 HD1 HIS 20 HD1 HIS 20 -22.524 9.558 -4.774
154 HD2 HIS 20 HD2 HIS 20 -19.544 9.513 -1.879
155 HE1 HIS 20 HE1 HIS 20 -22.280 11.945 -4.024
156 H SER 21 H SER 21 -22.959 5.870 -5.425
157 HA SER 21 HA SER 21 -24.845 7.982 -5.996
158 HB2 SER 21 2HB SER 21 -24.311 5.440 -7.549
159 HB3 SER 21 3HB SER 21 -25.158 6.871 -8.134
160 HG SER 21 HG SER 21 -22.584 7.232 -7.137
161 H ARG 22 H ARG 22 -24.928 4.609 -5.017
162 HA ARG 22 HA ARG 22 -27.631 4.067 -5.435
163 HB2 ARG 22 2HB ARG 22 -25.659 3.019 -3.412
164 HB3 ARG 22 3HB ARG 22 -27.310 2.421 -3.505
165 HG2 ARG 22 2HG ARG 22 -26.001 2.432 -6.093
166 HG3 ARG 22 3HG ARG 22 -25.137 1.460 -4.900
167 HD2 ARG 22 2HD ARG 22 -28.102 1.208 -5.271
168 HD3 ARG 22 3HD ARG 22 -26.973 0.330 -6.302
169 HE ARG 22 HE ARG 22 -26.143 -0.269 -3.790
170 HH11 ARG 22 1HH1 ARG 22 -29.207 -0.462 -5.432
171 HH12 ARG 22 2HH1 ARG 22 -29.762 -1.822 -4.513
172 HH21 ARG 22 1HH2 ARG 22 -26.863 -2.059 -2.572
173 HH22 ARG 22 2HH2 ARG 22 -28.428 -2.728 -2.886
174 H ARG 23 H ARG 23 -25.995 5.551 -2.670
175 HA ARG 23 HA ARG 23 -28.162 5.675 -0.918
176 HB2 ARG 23 2HB ARG 23 -26.140 6.205 0.079
177 HB3 ARG 23 3HB ARG 23 -25.646 7.256 -1.242
178 HG2 ARG 23 2HG ARG 23 -26.775 9.059 -0.419
179 HG3 ARG 23 3HG ARG 23 -27.986 8.067 0.396
180 HD2 ARG 23 2HD ARG 23 -25.693 7.362 1.703
181 HD3 ARG 23 3HD ARG 23 -25.408 9.067 1.357
182 HE ARG 23 HE ARG 23 -26.958 9.587 2.945
183 HH11 ARG 23 1HH1 ARG 23 -27.473 6.298 1.926
184 HH12 ARG 23 2HH1 ARG 23 -28.706 5.989 3.104
185 HH21 ARG 23 1HH2 ARG 23 -28.580 9.192 4.500
186 HH22 ARG 23 2HH2 ARG 23 -29.335 7.636 4.566
187 H PHE 24 H PHE 24 -27.392 7.580 -3.717
188 HA PHE 24 HA PHE 24 -29.259 9.688 -3.082
189 HB2 PHE 24 2HB PHE 24 -27.136 9.988 -4.441
190 HB3 PHE 24 3HB PHE 24 -27.961 9.153 -5.754
191 HD1 PHE 24 HD1 PHE 24 -30.261 10.143 -6.459
192 HD2 PHE 24 HD2 PHE 24 -27.297 12.280 -4.277
193 HE1 PHE 24 HE1 PHE 24 -31.266 12.269 -7.182
194 HE2 PHE 24 HE2 PHE 24 -28.298 14.410 -4.996
195 HZ PHE 24 HZ PHE 24 -30.285 14.406 -6.450
196 H THR 25 H THR 25 -29.145 6.869 -5.200
197 HA THR 25 HA THR 25 -31.791 7.414 -6.258
198 HB THR 25 HB THR 25 -29.871 6.368 -7.594
199 HG1 THR 25 HG1 THR 25 -31.372 5.434 -8.869
200 HG21 THR 25 3HG2 THR 25 -30.829 3.766 -6.469
201 HG22 THR 25 1HG2 THR 25 -29.527 4.642 -5.667
202 HG23 THR 25 2HG2 THR 25 -29.341 4.126 -7.344
Start of MODEL 18
1 H1 GLN 1 H GLN 1 4.654 -0.120 -2.231
2 HA GLN 1 HA GLN 1 2.475 -0.822 -2.316
3 HB2 GLN 1 2HB GLN 1 2.544 -0.103 0.197
4 HB3 GLN 1 3HB GLN 1 1.629 1.289 -0.365
5 HG2 GLN 1 2HG GLN 1 -0.218 0.092 -0.208
6 HG3 GLN 1 3HG GLN 1 0.388 -0.962 -1.484
7 HE21 GLN 1 1HE2 GLN 1 -0.896 -1.000 1.475
8 HE22 GLN 1 2HE2 GLN 1 -0.198 -2.448 2.107
9 H ARG 2 H ARG 2 3.744 1.900 -3.372
10 HA ARG 2 HA ARG 2 1.416 3.415 -4.095
11 HB2 ARG 2 2HB ARG 2 4.127 3.635 -5.389
12 HB3 ARG 2 3HB ARG 2 2.898 4.880 -5.216
13 HG2 ARG 2 2HG ARG 2 3.498 5.376 -3.089
14 HG3 ARG 2 3HG ARG 2 3.992 3.721 -2.725
15 HD2 ARG 2 2HD ARG 2 5.955 4.116 -4.277
16 HD3 ARG 2 3HD ARG 2 5.508 5.822 -4.254
17 HE ARG 2 HE ARG 2 6.873 4.385 -2.209
18 HH11 ARG 2 1HH1 ARG 2 4.620 6.979 -2.770
19 HH12 ARG 2 2HH1 ARG 2 5.021 7.818 -1.308
20 HH21 ARG 2 1HH2 ARG 2 7.410 5.480 -0.281
21 HH22 ARG 2 2HH2 ARG 2 6.609 6.965 0.106
22 H SER 3 H SER 3 3.571 1.138 -5.735
23 HA SER 3 HA SER 3 2.533 1.379 -8.318
24 HB2 SER 3 2HB SER 3 4.629 0.135 -7.610
25 HB3 SER 3 3HB SER 3 3.575 -1.191 -7.118
26 HG SER 3 HG SER 3 4.269 -0.314 -9.654
27 H ASN 4 H ASN 4 1.505 -0.621 -5.597
28 HA ASN 4 HA ASN 4 -0.563 -1.926 -7.125
29 HB2 ASN 4 2HB ASN 4 0.004 -1.920 -4.152
30 HB3 ASN 4 3HB ASN 4 -1.191 -2.939 -4.949
31 HD21 ASN 4 1HD2 ASN 4 0.700 -4.129 -3.472
32 HD22 ASN 4 2HD2 ASN 4 1.848 -4.939 -4.478
33 H PHE 5 H PHE 5 -0.240 0.975 -5.349
34 HA PHE 5 HA PHE 5 -2.903 1.320 -4.472
35 HB2 PHE 5 2HB PHE 5 -0.924 2.643 -3.680
36 HB3 PHE 5 3HB PHE 5 -0.939 3.493 -5.222
37 HD1 PHE 5 HD1 PHE 5 -3.629 2.490 -2.839
38 HD2 PHE 5 HD2 PHE 5 -1.673 5.644 -4.923
39 HE1 PHE 5 HE1 PHE 5 -5.258 4.096 -1.931
40 HE2 PHE 5 HE2 PHE 5 -3.298 7.255 -4.018
41 HZ PHE 5 HZ PHE 5 -5.093 6.481 -2.519
42 H HIS 6 H HIS 6 -1.246 2.130 -7.477
43 HA HIS 6 HA HIS 6 -3.212 3.710 -8.664
44 HB2 HIS 6 2HB HIS 6 -0.929 2.087 -9.625
45 HB3 HIS 6 3HB HIS 6 -2.165 2.467 -10.822
46 HD1 HIS 6 HD1 HIS 6 0.898 3.733 -9.628
47 HD2 HIS 6 HD2 HIS 6 -2.733 5.475 -10.650
48 HE1 HIS 6 HE1 HIS 6 1.413 6.156 -10.065
49 HA PRO 7 HA PRO 7 -5.041 -0.320 -10.614
50 HB2 PRO 7 2HB PRO 7 -4.206 -2.685 -9.573
51 HB3 PRO 7 3HB PRO 7 -3.396 -1.893 -10.930
52 HG2 PRO 7 2HG PRO 7 -2.662 -1.899 -8.027
53 HG3 PRO 7 3HG PRO 7 -1.615 -2.080 -9.447
54 HD2 PRO 7 2HD PRO 7 -1.855 0.257 -8.101
55 HD3 PRO 7 3HD PRO 7 -1.558 0.189 -9.850
56 H LEU 8 H LEU 8 -4.342 -0.116 -7.202
57 HA LEU 8 HA LEU 8 -6.679 -1.606 -6.400
58 HB2 LEU 8 2HB LEU 8 -4.645 -1.617 -5.043
59 HB3 LEU 8 3HB LEU 8 -4.798 0.121 -4.797
60 HG LEU 8 HG LEU 8 -5.522 -1.484 -2.911
61 HD11 LEU 8 1HD1 LEU 8 -6.588 0.281 -2.053
62 HD12 LEU 8 2HD1 LEU 8 -7.773 0.319 -3.358
63 HD13 LEU 8 3HD1 LEU 8 -6.198 1.082 -3.575
64 HD21 LEU 8 3HD2 LEU 8 -7.007 -2.682 -4.771
65 HD22 LEU 8 1HD2 LEU 8 -8.186 -1.498 -4.206
66 HD23 LEU 8 2HD2 LEU 8 -7.469 -2.640 -3.069
67 H ALA 9 H ALA 9 -5.876 1.680 -7.099
68 HA ALA 9 HA ALA 9 -7.832 3.028 -5.618
69 HB1 ALA 9 1HB ALA 9 -6.068 4.262 -6.654
70 HB2 ALA 9 2HB ALA 9 -6.558 3.717 -8.259
71 HB3 ALA 9 3HB ALA 9 -7.594 4.813 -7.346
72 H ALA 10 H ALA 10 -7.970 1.540 -8.826
73 HA ALA 10 HA ALA 10 -10.543 2.433 -9.530
74 HB1 ALA 10 1HB ALA 10 -8.943 0.039 -10.405
75 HB2 ALA 10 2HB ALA 10 -10.509 0.460 -11.099
76 HB3 ALA 10 3HB ALA 10 -9.151 1.576 -11.245
77 H SER 11 H SER 11 -9.446 -0.516 -7.894
78 HA SER 11 HA SER 11 -11.960 -1.767 -7.725
79 HB2 SER 11 2HB SER 11 -9.509 -2.034 -5.971
80 HB3 SER 11 3HB SER 11 -10.914 -3.097 -5.878
81 HG SER 11 HG SER 11 -10.441 -3.303 -8.294
82 H PHE 12 H PHE 12 -10.231 0.337 -5.451
83 HA PHE 12 HA PHE 12 -12.267 0.260 -3.462
84 HB2 PHE 12 2HB PHE 12 -9.782 1.844 -3.917
85 HB3 PHE 12 3HB PHE 12 -10.966 2.475 -2.777
86 HD1 PHE 12 HD1 PHE 12 -10.268 -1.099 -3.366
87 HD2 PHE 12 HD2 PHE 12 -9.721 2.242 -0.787
88 HE1 PHE 12 HE1 PHE 12 -9.381 -2.594 -1.624
89 HE2 PHE 12 HE2 PHE 12 -8.832 0.754 0.959
90 HZ PHE 12 HZ PHE 12 -8.660 -1.668 0.542
91 H ILE 13 H ILE 13 -11.714 2.166 -6.306
92 HA ILE 13 HA ILE 13 -13.484 4.304 -5.594
93 HB ILE 13 HB ILE 13 -12.074 3.494 -8.104
94 HG12 ILE 13 2HG1 ILE 13 -10.935 4.865 -6.385
95 HG13 ILE 13 3HG1 ILE 13 -11.111 5.722 -7.912
96 HG21 ILE 13 1HG2 ILE 13 -14.372 5.420 -7.903
97 HG22 ILE 13 2HG2 ILE 13 -13.170 5.507 -9.189
98 HG23 ILE 13 3HG2 ILE 13 -14.172 4.066 -9.014
99 HD11 ILE 13 3HD1 ILE 13 -11.785 6.666 -5.421
100 HD12 ILE 13 1HD1 ILE 13 -12.298 7.341 -6.967
101 HD13 ILE 13 2HD1 ILE 13 -13.336 6.197 -6.116
102 H VAL 14 H VAL 14 -13.741 1.361 -7.535
103 HA VAL 14 HA VAL 14 -16.386 1.873 -8.458
104 HB VAL 14 HB VAL 14 -14.903 -0.753 -8.257
105 HG11 VAL 14 1HG1 VAL 14 -17.460 0.026 -9.634
106 HG12 VAL 14 2HG1 VAL 14 -16.526 -1.398 -10.096
107 HG13 VAL 14 3HG1 VAL 14 -17.194 -1.271 -8.469
108 HG21 VAL 14 3HG2 VAL 14 -14.409 1.477 -9.883
109 HG22 VAL 14 1HG2 VAL 14 -13.740 -0.146 -10.051
110 HG23 VAL 14 2HG2 VAL 14 -15.213 0.295 -10.915
111 H ARG 15 H ARG 15 -15.077 0.669 -5.518
112 HA ARG 15 HA ARG 15 -17.455 -0.742 -4.699
113 HB2 ARG 15 2HB ARG 15 -16.104 -1.632 -3.157
114 HB3 ARG 15 3HB ARG 15 -14.787 -0.729 -3.894
115 HG2 ARG 15 2HG ARG 15 -15.186 1.124 -2.360
116 HG3 ARG 15 3HG ARG 15 -16.523 0.233 -1.629
117 HD2 ARG 15 2HD ARG 15 -13.623 -0.597 -1.662
118 HD3 ARG 15 3HD ARG 15 -14.513 0.032 -0.275
119 HE ARG 15 HE ARG 15 -14.576 -2.647 -1.302
120 HH11 ARG 15 1HH1 ARG 15 -16.337 -0.237 0.489
121 HH12 ARG 15 2HH1 ARG 15 -17.303 -1.392 1.346
122 HH21 ARG 15 1HH2 ARG 15 -15.841 -4.177 -0.181
123 HH22 ARG 15 2HH2 ARG 15 -17.020 -3.633 0.965
124 H CYS 16 H CYS 16 -15.957 2.389 -4.068
125 HA CYS 16 HA CYS 16 -18.038 3.143 -2.197
126 HB2 CYS 16 2HB CYS 16 -15.739 4.740 -3.346
127 HB3 CYS 16 3HB CYS 16 -16.817 5.291 -2.070
128 HG CYS 16 HG CYS 16 -14.143 3.320 -1.885
129 H ALA 17 H ALA 17 -17.138 3.759 -5.531
130 HA ALA 17 HA ALA 17 -18.838 5.935 -6.039
131 HB1 ALA 17 1HB ALA 17 -17.944 3.799 -7.971
132 HB2 ALA 17 2HB ALA 17 -18.558 5.399 -8.387
133 HB3 ALA 17 3HB ALA 17 -17.020 5.238 -7.539
134 H PHE 18 H PHE 18 -19.389 2.452 -6.149
135 HA PHE 18 HA PHE 18 -21.984 2.608 -7.300
136 HB2 PHE 18 2HB PHE 18 -20.365 0.580 -7.138
137 HB3 PHE 18 3HB PHE 18 -21.085 0.339 -5.549
138 HD1 PHE 18 HD2 PHE 18 -22.333 1.142 -8.978
139 HD2 PHE 18 HD1 PHE 18 -22.697 -1.278 -5.496
140 HE1 PHE 18 HE2 PHE 18 -24.208 -0.065 -10.017
141 HE2 PHE 18 HE1 PHE 18 -24.573 -2.489 -6.529
142 HZ PHE 18 HZ PHE 18 -25.332 -1.882 -8.793
143 H GLU 19 H GLU 19 -20.769 2.478 -3.991
144 HA GLU 19 HA GLU 19 -23.403 2.352 -2.835
145 HB2 GLU 19 2HB GLU 19 -20.843 3.068 -1.411
146 HB3 GLU 19 3HB GLU 19 -22.310 2.391 -0.718
147 HG2 GLU 19 2HG GLU 19 -20.820 0.856 -2.793
148 HG3 GLU 19 3HG GLU 19 -20.232 0.885 -1.132
149 H HIS 20 H HIS 20 -21.158 4.826 -3.761
150 HA HIS 20 HA HIS 20 -22.241 6.920 -2.166
151 HB2 HIS 20 2HB HIS 20 -19.955 6.949 -3.175
152 HB3 HIS 20 3HB HIS 20 -20.699 7.161 -4.757
153 HD1 HIS 20 HD1 HIS 20 -22.401 9.397 -4.770
154 HD2 HIS 20 HD2 HIS 20 -19.254 9.301 -2.060
155 HE1 HIS 20 HE1 HIS 20 -22.025 11.789 -4.091
156 H SER 21 H SER 21 -22.900 5.683 -5.388
157 HA SER 21 HA SER 21 -24.752 7.818 -6.004
158 HB2 SER 21 2HB SER 21 -24.254 5.237 -7.506
159 HB3 SER 21 3HB SER 21 -25.089 6.665 -8.117
160 HG SER 21 HG SER 21 -22.506 7.017 -7.139
161 H ARG 22 H ARG 22 -24.872 4.483 -4.921
162 HA ARG 22 HA ARG 22 -27.566 3.926 -5.337
163 HB2 ARG 22 2HB ARG 22 -25.581 2.462 -4.407
164 HB3 ARG 22 3HB ARG 22 -26.217 2.967 -2.847
165 HG2 ARG 22 2HG ARG 22 -28.434 2.076 -3.531
166 HG3 ARG 22 3HG ARG 22 -27.676 1.448 -4.995
167 HD2 ARG 22 2HD ARG 22 -26.147 0.112 -3.616
168 HD3 ARG 22 3HD ARG 22 -26.930 0.730 -2.162
169 HE ARG 22 HE ARG 22 -27.882 -1.352 -3.881
170 HH11 ARG 22 1HH1 ARG 22 -28.846 1.156 -1.668
171 HH12 ARG 22 2HH1 ARG 22 -30.342 0.390 -1.246
172 HH21 ARG 22 1HH2 ARG 22 -29.848 -2.371 -3.334
173 HH22 ARG 22 2HH2 ARG 22 -30.910 -1.617 -2.194
174 H ARG 23 H ARG 23 -25.978 5.559 -2.629
175 HA ARG 23 HA ARG 23 -28.173 5.778 -0.922
176 HB2 ARG 23 2HB ARG 23 -26.179 6.376 0.083
177 HB3 ARG 23 3HB ARG 23 -25.650 7.333 -1.294
178 HG2 ARG 23 2HG ARG 23 -26.787 9.193 -0.619
179 HG3 ARG 23 3HG ARG 23 -28.020 8.264 0.235
180 HD2 ARG 23 2HD ARG 23 -25.957 7.607 1.753
181 HD3 ARG 23 3HD ARG 23 -25.321 9.131 1.134
182 HE ARG 23 HE ARG 23 -27.997 9.322 2.168
183 HH11 ARG 23 1HH1 ARG 23 -24.606 9.430 2.949
184 HH12 ARG 23 2HH1 ARG 23 -24.832 10.388 4.375
185 HH21 ARG 23 1HH2 ARG 23 -28.307 10.584 4.043
186 HH22 ARG 23 2HH2 ARG 23 -26.937 11.043 4.997
187 H PHE 24 H PHE 24 -27.349 7.542 -3.803
188 HA PHE 24 HA PHE 24 -29.248 9.662 -3.318
189 HB2 PHE 24 2HB PHE 24 -27.093 9.917 -4.635
190 HB3 PHE 24 3HB PHE 24 -27.875 9.010 -5.926
191 HD1 PHE 24 HD2 PHE 24 -29.822 9.960 -7.100
192 HD2 PHE 24 HD1 PHE 24 -27.620 12.196 -4.225
193 HE1 PHE 24 HE2 PHE 24 -30.825 12.038 -7.953
194 HE2 PHE 24 HE1 PHE 24 -28.620 14.278 -5.073
195 HZ PHE 24 HZ PHE 24 -30.224 14.201 -6.940
196 H THR 25 H THR 25 -29.056 6.746 -5.293
197 HA THR 25 HA THR 25 -31.676 7.214 -6.448
198 HB THR 25 HB THR 25 -29.717 6.118 -7.679
199 HG1 THR 25 HG1 THR 25 -31.357 4.419 -8.492
200 HG21 THR 25 3HG2 THR 25 -28.962 4.079 -7.105
201 HG22 THR 25 1HG2 THR 25 -30.580 3.477 -6.748
202 HG23 THR 25 2HG2 THR 25 -29.701 4.413 -5.539
Start of MODEL 19
1 H1 GLN 1 H GLN 1 0.252 -0.249 -0.318
2 HA GLN 1 HA GLN 1 3.048 0.427 -0.787
3 HB2 GLN 1 2HB GLN 1 1.616 -1.659 -2.440
4 HB3 GLN 1 3HB GLN 1 3.253 -1.069 -2.697
5 HG2 GLN 1 2HG GLN 1 2.947 -2.041 -0.012
6 HG3 GLN 1 3HG GLN 1 2.452 -3.266 -1.178
7 HE21 GLN 1 1HE2 GLN 1 4.894 -2.662 0.638
8 HE22 GLN 1 2HE2 GLN 1 6.232 -3.011 -0.396
9 H ARG 2 H ARG 2 3.390 1.748 -2.586
10 HA ARG 2 HA ARG 2 1.112 3.307 -3.371
11 HB2 ARG 2 2HB ARG 2 3.874 3.517 -4.551
12 HB3 ARG 2 3HB ARG 2 2.654 4.775 -4.402
13 HG2 ARG 2 2HG ARG 2 3.174 5.220 -2.243
14 HG3 ARG 2 3HG ARG 2 3.634 3.553 -1.893
15 HD2 ARG 2 2HD ARG 2 5.688 4.563 -1.847
16 HD3 ARG 2 3HD ARG 2 5.605 4.094 -3.545
17 HE ARG 2 HE ARG 2 4.542 6.684 -3.219
18 HH11 ARG 2 1HH1 ARG 2 7.571 4.969 -3.166
19 HH12 ARG 2 2HH1 ARG 2 8.507 6.343 -3.655
20 HH21 ARG 2 1HH2 ARG 2 5.762 8.499 -3.864
21 HH22 ARG 2 2HH2 ARG 2 7.477 8.351 -4.051
22 H SER 3 H SER 3 3.302 1.035 -4.969
23 HA SER 3 HA SER 3 2.372 1.340 -7.586
24 HB2 SER 3 2HB SER 3 4.423 0.056 -6.821
25 HB3 SER 3 3HB SER 3 3.335 -1.266 -6.397
26 HG SER 3 HG SER 3 3.793 -0.143 -8.958
27 H ASN 4 H ASN 4 1.212 -0.700 -4.949
28 HA ASN 4 HA ASN 4 -0.809 -1.947 -6.585
29 HB2 ASN 4 2HB ASN 4 -0.361 -2.007 -3.592
30 HB3 ASN 4 3HB ASN 4 -1.536 -2.995 -4.456
31 HD21 ASN 4 1HD2 ASN 4 -0.725 -4.519 -6.020
32 HD22 ASN 4 2HD2 ASN 4 0.840 -5.216 -5.798
33 H PHE 5 H PHE 5 -0.522 0.914 -4.739
34 HA PHE 5 HA PHE 5 -3.213 1.275 -3.962
35 HB2 PHE 5 2HB PHE 5 -1.253 2.557 -3.065
36 HB3 PHE 5 3HB PHE 5 -1.195 3.437 -4.589
37 HD1 PHE 5 HD2 PHE 5 -4.088 2.407 -2.485
38 HD2 PHE 5 HD1 PHE 5 -1.816 5.609 -4.127
39 HE1 PHE 5 HE2 PHE 5 -5.732 4.016 -1.612
40 HE2 PHE 5 HE1 PHE 5 -3.455 7.224 -3.256
41 HZ PHE 5 HZ PHE 5 -5.417 6.428 -1.998
42 H HIS 6 H HIS 6 -1.428 2.124 -6.881
43 HA HIS 6 HA HIS 6 -3.326 3.752 -8.113
44 HB2 HIS 6 2HB HIS 6 -1.026 2.119 -9.016
45 HB3 HIS 6 3HB HIS 6 -2.208 2.538 -10.252
46 HD1 HIS 6 HD1 HIS 6 -0.891 4.267 -11.513
47 HD2 HIS 6 HD2 HIS 6 -1.030 5.021 -7.429
48 HE1 HIS 6 HE1 HIS 6 0.105 6.558 -11.218
49 HA PRO 7 HA PRO 7 -5.123 -0.216 -10.216
50 HB2 PRO 7 2HB PRO 7 -4.360 -2.611 -9.191
51 HB3 PRO 7 3HB PRO 7 -3.486 -1.803 -10.498
52 HG2 PRO 7 2HG PRO 7 -2.869 -1.876 -7.569
53 HG3 PRO 7 3HG PRO 7 -1.768 -2.042 -8.949
54 HD2 PRO 7 2HD PRO 7 -2.034 0.271 -7.567
55 HD3 PRO 7 3HD PRO 7 -1.668 0.233 -9.304
56 H LEU 8 H LEU 8 -4.560 -0.088 -6.776
57 HA LEU 8 HA LEU 8 -6.944 -1.564 -6.098
58 HB2 LEU 8 2HB LEU 8 -4.969 -1.629 -4.659
59 HB3 LEU 8 3HB LEU 8 -5.106 0.107 -4.388
60 HG LEU 8 HG LEU 8 -5.929 -1.518 -2.561
61 HD11 LEU 8 1HD1 LEU 8 -8.131 0.329 -3.068
62 HD12 LEU 8 2HD1 LEU 8 -6.537 1.068 -3.203
63 HD13 LEU 8 3HD1 LEU 8 -7.004 0.247 -1.714
64 HD21 LEU 8 3HD2 LEU 8 -7.358 -2.658 -4.503
65 HD22 LEU 8 1HD2 LEU 8 -8.540 -1.469 -3.956
66 HD23 LEU 8 2HD2 LEU 8 -7.881 -2.645 -2.818
67 H ALA 9 H ALA 9 -6.074 1.726 -6.694
68 HA ALA 9 HA ALA 9 -8.077 3.066 -5.268
69 HB1 ALA 9 1HB ALA 9 -7.742 4.887 -6.939
70 HB2 ALA 9 2HB ALA 9 -6.253 4.299 -6.199
71 HB3 ALA 9 3HB ALA 9 -6.682 3.799 -7.835
72 H ALA 10 H ALA 10 -8.090 1.650 -8.510
73 HA ALA 10 HA ALA 10 -10.619 2.591 -9.307
74 HB1 ALA 10 1HB ALA 10 -9.013 0.195 -10.164
75 HB2 ALA 10 2HB ALA 10 -10.539 0.656 -10.919
76 HB3 ALA 10 3HB ALA 10 -9.160 1.754 -10.977
77 H SER 11 H SER 11 -9.630 -0.407 -7.691
78 HA SER 11 HA SER 11 -12.166 -1.626 -7.661
79 HB2 SER 11 2HB SER 11 -9.793 -1.969 -5.815
80 HB3 SER 11 3HB SER 11 -11.216 -3.011 -5.798
81 HG SER 11 HG SER 11 -9.662 -2.566 -8.123
82 H PHE 12 H PHE 12 -10.509 0.404 -5.269
83 HA PHE 12 HA PHE 12 -12.630 0.308 -3.370
84 HB2 PHE 12 2HB PHE 12 -10.107 1.869 -3.680
85 HB3 PHE 12 3HB PHE 12 -11.331 2.486 -2.576
86 HD1 PHE 12 HD2 PHE 12 -10.617 -1.076 -3.236
87 HD2 PHE 12 HD1 PHE 12 -10.207 2.184 -0.531
88 HE1 PHE 12 HE2 PHE 12 -9.822 -2.624 -1.497
89 HE2 PHE 12 HE1 PHE 12 -9.410 0.642 1.213
90 HZ PHE 12 HZ PHE 12 -9.218 -1.766 0.731
91 H ILE 13 H ILE 13 -11.934 2.267 -6.145
92 HA ILE 13 HA ILE 13 -13.710 4.411 -5.456
93 HB ILE 13 HB ILE 13 -12.190 3.653 -7.919
94 HG12 ILE 13 2HG1 ILE 13 -11.115 4.956 -6.108
95 HG13 ILE 13 3HG1 ILE 13 -11.209 5.861 -7.616
96 HG21 ILE 13 1HG2 ILE 13 -14.469 5.606 -7.767
97 HG22 ILE 13 2HG2 ILE 13 -13.207 5.712 -8.993
98 HG23 ILE 13 3HG2 ILE 13 -14.235 4.282 -8.908
99 HD11 ILE 13 3HD1 ILE 13 -11.987 6.738 -5.129
100 HD12 ILE 13 1HD1 ILE 13 -12.415 7.468 -6.676
101 HD13 ILE 13 2HD1 ILE 13 -13.509 6.315 -5.913
102 H VAL 14 H VAL 14 -13.901 1.520 -7.481
103 HA VAL 14 HA VAL 14 -16.489 2.085 -8.525
104 HB VAL 14 HB VAL 14 -15.040 -0.557 -8.310
105 HG11 VAL 14 1HG1 VAL 14 -17.658 0.223 -9.436
106 HG12 VAL 14 2HG1 VAL 14 -16.665 -0.856 -10.419
107 HG13 VAL 14 3HG1 VAL 14 -17.118 -1.322 -8.778
108 HG21 VAL 14 3HG2 VAL 14 -14.523 1.717 -9.907
109 HG22 VAL 14 1HG2 VAL 14 -13.770 0.124 -9.999
110 HG23 VAL 14 2HG2 VAL 14 -15.204 0.479 -10.963
111 H ARG 15 H ARG 15 -15.345 0.785 -5.554
112 HA ARG 15 HA ARG 15 -17.791 -0.594 -4.891
113 HB2 ARG 15 2HB ARG 15 -16.527 -1.572 -3.330
114 HB3 ARG 15 3HB ARG 15 -15.160 -0.662 -3.960
115 HG2 ARG 15 2HG ARG 15 -15.510 1.088 -2.358
116 HG3 ARG 15 3HG ARG 15 -17.007 0.334 -1.803
117 HD2 ARG 15 2HD ARG 15 -14.834 -0.001 -0.433
118 HD3 ARG 15 3HD ARG 15 -15.895 -1.380 -0.720
119 HE ARG 15 HE ARG 15 -13.792 -1.059 -2.668
120 HH11 ARG 15 1HH1 ARG 15 -14.729 -2.480 0.368
121 HH12 ARG 15 2HH1 ARG 15 -13.540 -3.738 0.296
122 HH21 ARG 15 1HH2 ARG 15 -12.222 -2.710 -2.775
123 HH22 ARG 15 2HH2 ARG 15 -12.114 -3.867 -1.493
124 H CYS 16 H CYS 16 -16.249 2.478 -4.100
125 HA CYS 16 HA CYS 16 -18.382 3.230 -2.291
126 HB2 CYS 16 2HB CYS 16 -16.039 4.842 -3.325
127 HB3 CYS 16 3HB CYS 16 -17.127 5.326 -2.029
128 HG CYS 16 HG CYS 16 -14.414 3.457 -1.893
129 H ALA 17 H ALA 17 -17.342 3.929 -5.570
130 HA ALA 17 HA ALA 17 -19.006 6.138 -6.070
131 HB1 ALA 17 1HB ALA 17 -18.044 4.075 -8.048
132 HB2 ALA 17 2HB ALA 17 -18.612 5.703 -8.417
133 HB3 ALA 17 3HB ALA 17 -17.118 5.476 -7.508
134 H PHE 18 H PHE 18 -19.563 2.666 -6.328
135 HA PHE 18 HA PHE 18 -22.128 2.916 -7.561
136 HB2 PHE 18 2HB PHE 18 -20.509 0.883 -7.545
137 HB3 PHE 18 3HB PHE 18 -21.255 0.505 -5.995
138 HD1 PHE 18 HD1 PHE 18 -21.766 0.729 -9.608
139 HD2 PHE 18 HD2 PHE 18 -23.544 -0.240 -5.865
140 HE1 PHE 18 HE1 PHE 18 -23.620 -0.386 -10.781
141 HE2 PHE 18 HE2 PHE 18 -25.399 -1.358 -7.031
142 HZ PHE 18 HZ PHE 18 -25.439 -1.433 -9.492
143 H GLU 19 H GLU 19 -20.970 2.536 -4.255
144 HA GLU 19 HA GLU 19 -23.611 2.270 -3.149
145 HB2 GLU 19 2HB GLU 19 -21.938 1.197 -1.896
146 HB3 GLU 19 3HB GLU 19 -20.863 2.585 -1.976
147 HG2 GLU 19 2HG GLU 19 -21.834 3.617 -0.223
148 HG3 GLU 19 3HG GLU 19 -23.443 3.016 -0.618
149 H HIS 20 H HIS 20 -21.424 4.865 -3.866
150 HA HIS 20 HA HIS 20 -22.592 6.815 -2.152
151 HB2 HIS 20 2HB HIS 20 -20.303 7.010 -3.090
152 HB3 HIS 20 3HB HIS 20 -21.001 7.237 -4.691
153 HD1 HIS 20 HD1 HIS 20 -21.865 9.549 -5.277
154 HD2 HIS 20 HD2 HIS 20 -20.685 9.202 -1.308
155 HE1 HIS 20 HE1 HIS 20 -21.857 11.894 -4.371
156 H SER 21 H SER 21 -23.173 5.783 -5.462
157 HA SER 21 HA SER 21 -25.083 7.898 -5.955
158 HB2 SER 21 2HB SER 21 -24.486 5.444 -7.624
159 HB3 SER 21 3HB SER 21 -25.358 6.884 -8.147
160 HG SER 21 HG SER 21 -22.798 7.244 -7.111
161 H ARG 22 H ARG 22 -25.112 4.496 -5.102
162 HA ARG 22 HA ARG 22 -27.781 3.886 -5.596
163 HB2 ARG 22 2HB ARG 22 -25.761 2.426 -4.734
164 HB3 ARG 22 3HB ARG 22 -26.440 2.802 -3.156
165 HG2 ARG 22 2HG ARG 22 -28.613 1.887 -3.936
166 HG3 ARG 22 3HG ARG 22 -27.815 1.392 -5.430
167 HD2 ARG 22 2HD ARG 22 -27.696 -0.537 -4.172
168 HD3 ARG 22 3HD ARG 22 -26.139 0.215 -3.824
169 HE ARG 22 HE ARG 22 -28.217 0.906 -1.956
170 HH11 ARG 22 1HH1 ARG 22 -25.717 -1.380 -2.758
171 HH12 ARG 22 2HH1 ARG 22 -25.523 -1.938 -1.129
172 HH21 ARG 22 1HH2 ARG 22 -27.971 0.181 0.192
173 HH22 ARG 22 2HH2 ARG 22 -26.807 -1.050 0.548
174 H ARG 23 H ARG 23 -26.282 5.379 -2.760
175 HA ARG 23 HA ARG 23 -28.505 5.416 -1.077
176 HB2 ARG 23 2HB ARG 23 -26.541 6.002 -0.005
177 HB3 ARG 23 3HB ARG 23 -26.028 7.071 -1.304
178 HG2 ARG 23 2HG ARG 23 -27.233 8.841 -0.516
179 HG3 ARG 23 3HG ARG 23 -28.446 7.814 0.253
180 HD2 ARG 23 2HD ARG 23 -27.295 7.690 2.180
181 HD3 ARG 23 3HD ARG 23 -25.743 7.546 1.357
182 HE ARG 23 HE ARG 23 -26.907 9.925 2.410
183 HH11 ARG 23 1HH1 ARG 23 -24.859 8.692 -0.121
184 HH12 ARG 23 2HH1 ARG 23 -23.999 10.182 -0.330
185 HH21 ARG 23 1HH2 ARG 23 -25.782 11.892 2.145
186 HH22 ARG 23 2HH2 ARG 23 -24.524 12.001 0.961
187 H PHE 24 H PHE 24 -27.701 7.391 -3.822
188 HA PHE 24 HA PHE 24 -29.665 9.421 -3.224
189 HB2 PHE 24 2HB PHE 24 -27.506 9.820 -4.497
190 HB3 PHE 24 3HB PHE 24 -28.248 8.977 -5.852
191 HD1 PHE 24 HD2 PHE 24 -30.469 9.903 -6.733
192 HD2 PHE 24 HD1 PHE 24 -27.842 12.094 -4.199
193 HE1 PHE 24 HE2 PHE 24 -31.523 12.004 -7.461
194 HE2 PHE 24 HE1 PHE 24 -28.893 14.198 -4.923
195 HZ PHE 24 HZ PHE 24 -30.735 14.155 -6.557
196 H THR 25 H THR 25 -29.371 6.644 -5.380
197 HA THR 25 HA THR 25 -31.995 7.113 -6.527
198 HB THR 25 HB THR 25 -29.990 6.161 -7.809
199 HG1 THR 25 HG1 THR 25 -31.418 4.830 -9.036
200 HG21 THR 25 3HG2 THR 25 -29.686 4.406 -5.884
201 HG22 THR 25 1HG2 THR 25 -29.363 3.955 -7.558
202 HG23 THR 25 2HG2 THR 25 -30.888 3.496 -6.800
Start of MODEL 20
1 H1 GLN 1 H GLN 1 4.408 0.078 -2.442
2 HA GLN 1 HA GLN 1 2.255 -0.999 -2.226
3 HB2 GLN 1 2HB GLN 1 2.365 -0.124 0.285
4 HB3 GLN 1 3HB GLN 1 1.329 1.137 -0.369
5 HG2 GLN 1 2HG GLN 1 -0.323 -0.272 0.153
6 HG3 GLN 1 3HG GLN 1 0.119 -1.068 -1.356
7 HE21 GLN 1 1HE2 GLN 1 1.525 -2.903 -1.248
8 HE22 GLN 1 2HE2 GLN 1 1.561 -3.884 0.173
9 H ARG 2 H ARG 2 3.577 1.681 -3.321
10 HA ARG 2 HA ARG 2 1.280 3.226 -4.079
11 HB2 ARG 2 2HB ARG 2 4.000 3.376 -5.364
12 HB3 ARG 2 3HB ARG 2 2.792 4.646 -5.217
13 HG2 ARG 2 2HG ARG 2 3.392 5.165 -3.095
14 HG3 ARG 2 3HG ARG 2 3.855 3.508 -2.703
15 HD2 ARG 2 2HD ARG 2 5.832 3.842 -4.252
16 HD3 ARG 2 3HD ARG 2 5.415 5.556 -4.259
17 HE ARG 2 HE ARG 2 6.749 4.132 -2.186
18 HH11 ARG 2 1HH1 ARG 2 4.532 6.747 -2.793
19 HH12 ARG 2 2HH1 ARG 2 4.939 7.602 -1.342
20 HH21 ARG 2 1HH2 ARG 2 7.293 5.248 -0.272
21 HH22 ARG 2 2HH2 ARG 2 6.510 6.749 0.091
22 H SER 3 H SER 3 3.400 0.884 -5.672
23 HA SER 3 HA SER 3 2.378 1.102 -8.263
24 HB2 SER 3 2HB SER 3 4.448 -0.169 -7.526
25 HB3 SER 3 3HB SER 3 3.369 -1.467 -7.017
26 HG SER 3 HG SER 3 3.419 -0.389 -9.640
27 H ASN 4 H ASN 4 1.303 -0.836 -5.514
28 HA ASN 4 HA ASN 4 -0.783 -2.127 -7.031
29 HB2 ASN 4 2HB ASN 4 -0.227 -2.083 -4.056
30 HB3 ASN 4 3HB ASN 4 -1.437 -3.093 -4.841
31 HD21 ASN 4 1HD2 ASN 4 -0.057 -4.700 -3.639
32 HD22 ASN 4 2HD2 ASN 4 1.266 -5.390 -4.510
33 H PHE 5 H PHE 5 -0.415 0.796 -5.300
34 HA PHE 5 HA PHE 5 -3.074 1.203 -4.441
35 HB2 PHE 5 2HB PHE 5 -1.075 2.503 -3.662
36 HB3 PHE 5 3HB PHE 5 -1.068 3.327 -5.217
37 HD1 PHE 5 HD1 PHE 5 -3.818 2.405 -2.874
38 HD2 PHE 5 HD2 PHE 5 -1.733 5.504 -4.914
39 HE1 PHE 5 HE1 PHE 5 -5.422 4.055 -2.001
40 HE2 PHE 5 HE2 PHE 5 -3.332 7.158 -4.044
41 HZ PHE 5 HZ PHE 5 -5.179 6.435 -2.584
42 H HIS 6 H HIS 6 -1.390 1.934 -7.451
43 HA HIS 6 HA HIS 6 -3.323 3.529 -8.672
44 HB2 HIS 6 2HB HIS 6 -1.066 1.850 -9.597
45 HB3 HIS 6 3HB HIS 6 -2.289 2.232 -10.805
46 HD1 HIS 6 HD1 HIS 6 0.332 3.827 -8.656
47 HD2 HIS 6 HD2 HIS 6 -2.343 4.887 -11.652
48 HE1 HIS 6 HE1 HIS 6 1.009 6.139 -9.374
49 HA PRO 7 HA PRO 7 -5.216 -0.499 -10.565
50 HB2 PRO 7 2HB PRO 7 -4.428 -2.861 -9.482
51 HB3 PRO 7 3HB PRO 7 -3.598 -2.106 -10.848
52 HG2 PRO 7 2HG PRO 7 -2.877 -2.078 -7.943
53 HG3 PRO 7 3HG PRO 7 -1.827 -2.301 -9.354
54 HD2 PRO 7 2HD PRO 7 -2.030 0.062 -8.048
55 HD3 PRO 7 3HD PRO 7 -1.728 -0.040 -9.794
56 H LEU 8 H LEU 8 -4.528 -0.252 -7.154
57 HA LEU 8 HA LEU 8 -6.894 -1.687 -6.338
58 HB2 LEU 8 2HB LEU 8 -4.867 -1.712 -4.972
59 HB3 LEU 8 3HB LEU 8 -4.989 0.033 -4.755
60 HG LEU 8 HG LEU 8 -5.750 -1.528 -2.846
61 HD11 LEU 8 1HD1 LEU 8 -6.376 1.039 -3.554
62 HD12 LEU 8 2HD1 LEU 8 -6.788 0.270 -2.021
63 HD13 LEU 8 3HD1 LEU 8 -7.966 0.309 -3.333
64 HD21 LEU 8 3HD2 LEU 8 -8.408 -1.515 -4.153
65 HD22 LEU 8 1HD2 LEU 8 -7.716 -2.651 -2.994
66 HD23 LEU 8 2HD2 LEU 8 -7.248 -2.729 -4.693
67 H ALA 9 H ALA 9 -6.029 1.573 -7.086
68 HA ALA 9 HA ALA 9 -7.968 2.979 -5.636
69 HB1 ALA 9 1HB ALA 9 -6.669 3.602 -8.282
70 HB2 ALA 9 2HB ALA 9 -7.690 4.732 -7.391
71 HB3 ALA 9 3HB ALA 9 -6.177 4.165 -6.685
72 H ALA 10 H ALA 10 -8.117 1.443 -8.820
73 HA ALA 10 HA ALA 10 -10.670 2.370 -9.552
74 HB1 ALA 10 1HB ALA 10 -10.666 0.374 -11.090
75 HB2 ALA 10 2HB ALA 10 -9.285 1.460 -11.245
76 HB3 ALA 10 3HB ALA 10 -9.112 -0.067 -10.381
77 H SER 11 H SER 11 -9.634 -0.571 -7.863
78 HA SER 11 HA SER 11 -12.173 -1.773 -7.686
79 HB2 SER 11 2HB SER 11 -9.734 -2.058 -5.918
80 HB3 SER 11 3HB SER 11 -11.158 -3.091 -5.812
81 HG SER 11 HG SER 11 -9.147 -3.023 -7.715
82 H PHE 12 H PHE 12 -10.415 0.336 -5.438
83 HA PHE 12 HA PHE 12 -12.460 0.327 -3.457
84 HB2 PHE 12 2HB PHE 12 -9.944 1.858 -3.926
85 HB3 PHE 12 3HB PHE 12 -11.122 2.529 -2.802
86 HD1 PHE 12 HD2 PHE 12 -10.486 -1.066 -3.330
87 HD2 PHE 12 HD1 PHE 12 -9.890 2.307 -0.803
88 HE1 PHE 12 HE2 PHE 12 -9.634 -2.547 -1.560
89 HE2 PHE 12 HE1 PHE 12 -9.036 0.831 0.971
90 HZ PHE 12 HZ PHE 12 -8.908 -1.599 0.595
91 H ILE 13 H ILE 13 -11.861 2.177 -6.329
92 HA ILE 13 HA ILE 13 -13.597 4.357 -5.659
93 HB ILE 13 HB ILE 13 -12.187 3.486 -8.149
94 HG12 ILE 13 2HG1 ILE 13 -11.031 4.859 -6.443
95 HG13 ILE 13 3HG1 ILE 13 -11.185 5.699 -7.982
96 HG21 ILE 13 1HG2 ILE 13 -14.449 5.457 -7.987
97 HG22 ILE 13 2HG2 ILE 13 -13.239 5.503 -9.268
98 HG23 ILE 13 3HG2 ILE 13 -14.268 4.084 -9.079
99 HD11 ILE 13 3HD1 ILE 13 -11.854 6.686 -5.505
100 HD12 ILE 13 1HD1 ILE 13 -12.344 7.352 -7.063
101 HD13 ILE 13 2HD1 ILE 13 -13.409 6.238 -6.206
102 H VAL 14 H VAL 14 -13.892 1.389 -7.557
103 HA VAL 14 HA VAL 14 -16.522 1.933 -8.506
104 HB VAL 14 HB VAL 14 -15.082 -0.713 -8.255
105 HG11 VAL 14 1HG1 VAL 14 -17.082 -1.583 -8.737
106 HG12 VAL 14 2HG1 VAL 14 -17.769 -0.006 -9.127
107 HG13 VAL 14 3HG1 VAL 14 -16.860 -0.899 -10.347
108 HG21 VAL 14 3HG2 VAL 14 -15.374 0.308 -10.930
109 HG22 VAL 14 1HG2 VAL 14 -14.539 1.479 -9.908
110 HG23 VAL 14 2HG2 VAL 14 -13.910 -0.161 -10.064
111 H ARG 15 H ARG 15 -15.253 0.746 -5.540
112 HA ARG 15 HA ARG 15 -17.667 -0.602 -4.717
113 HB2 ARG 15 2HB ARG 15 -16.343 -1.508 -3.160
114 HB3 ARG 15 3HB ARG 15 -15.002 -0.644 -3.900
115 HG2 ARG 15 2HG ARG 15 -15.366 1.234 -2.388
116 HG3 ARG 15 3HG ARG 15 -16.725 0.381 -1.653
117 HD2 ARG 15 2HD ARG 15 -15.243 -1.384 -0.898
118 HD3 ARG 15 3HD ARG 15 -13.879 -0.615 -1.707
119 HE ARG 15 HE ARG 15 -13.718 0.872 0.036
120 HH11 ARG 15 1HH1 ARG 15 -16.739 -0.845 0.245
121 HH12 ARG 15 2HH1 ARG 15 -17.123 -0.241 1.822
122 HH21 ARG 15 1HH2 ARG 15 -14.212 1.674 2.113
123 HH22 ARG 15 2HH2 ARG 15 -15.685 1.193 2.884
124 H CYS 16 H CYS 16 -16.099 2.501 -4.121
125 HA CYS 16 HA CYS 16 -18.159 3.326 -2.259
126 HB2 CYS 16 2HB CYS 16 -15.838 4.866 -3.442
127 HB3 CYS 16 3HB CYS 16 -16.895 5.446 -2.160
128 HG CYS 16 HG CYS 16 -14.251 3.436 -1.984
129 H ALA 17 H ALA 17 -17.250 3.887 -5.602
130 HA ALA 17 HA ALA 17 -18.924 6.081 -6.131
131 HB1 ALA 17 1HB ALA 17 -17.103 5.340 -7.616
132 HB2 ALA 17 2HB ALA 17 -18.060 3.923 -8.053
133 HB3 ALA 17 3HB ALA 17 -18.634 5.538 -8.470
134 H PHE 18 H PHE 18 -19.511 2.603 -6.217
135 HA PHE 18 HA PHE 18 -22.131 2.828 -7.338
136 HB2 PHE 18 2HB PHE 18 -20.521 0.619 -6.120
137 HB3 PHE 18 3HB PHE 18 -22.252 0.393 -6.348
138 HD1 PHE 18 HD2 PHE 18 -19.607 2.006 -8.426
139 HD2 PHE 18 HD1 PHE 18 -22.622 -0.985 -8.143
140 HE1 PHE 18 HE2 PHE 18 -19.212 1.390 -10.775
141 HE2 PHE 18 HE1 PHE 18 -22.231 -1.606 -10.491
142 HZ PHE 18 HZ PHE 18 -20.525 -0.418 -11.811
143 H GLU 19 H GLU 19 -20.817 2.533 -4.079
144 HA GLU 19 HA GLU 19 -23.394 2.316 -2.834
145 HB2 GLU 19 2HB GLU 19 -21.656 1.302 -1.624
146 HB3 GLU 19 3HB GLU 19 -20.592 2.688 -1.816
147 HG2 GLU 19 2HG GLU 19 -21.475 3.787 -0.057
148 HG3 GLU 19 3HG GLU 19 -23.101 3.169 -0.346
149 H HIS 20 H HIS 20 -21.258 4.893 -3.752
150 HA HIS 20 HA HIS 20 -22.353 6.902 -2.062
151 HB2 HIS 20 2HB HIS 20 -20.116 7.071 -3.122
152 HB3 HIS 20 3HB HIS 20 -20.896 7.231 -4.693
153 HD1 HIS 20 HD1 HIS 20 -20.715 9.586 -5.399
154 HD2 HIS 20 HD2 HIS 20 -21.516 9.258 -1.335
155 HE1 HIS 20 HE1 HIS 20 -20.955 11.948 -4.568
156 H SER 21 H SER 21 -23.093 5.742 -5.297
157 HA SER 21 HA SER 21 -25.041 7.826 -5.770
158 HB2 SER 21 2HB SER 21 -24.509 5.316 -7.376
159 HB3 SER 21 3HB SER 21 -25.418 6.731 -7.907
160 HG SER 21 HG SER 21 -22.784 7.079 -7.026
161 H ARG 22 H ARG 22 -25.000 4.459 -4.790
162 HA ARG 22 HA ARG 22 -27.684 3.812 -5.128
163 HB2 ARG 22 2HB ARG 22 -25.609 2.403 -4.307
164 HB3 ARG 22 3HB ARG 22 -26.219 2.832 -2.715
165 HG2 ARG 22 2HG ARG 22 -28.414 1.867 -3.354
166 HG3 ARG 22 3HG ARG 22 -27.686 1.329 -4.869
167 HD2 ARG 22 2HD ARG 22 -26.001 0.510 -2.733
168 HD3 ARG 22 3HD ARG 22 -27.656 0.053 -2.332
169 HE ARG 22 HE ARG 22 -27.276 -0.725 -4.945
170 HH11 ARG 22 1HH1 ARG 22 -25.815 -1.415 -1.861
171 HH12 ARG 22 2HH1 ARG 22 -25.351 -3.027 -2.295
172 HH21 ARG 22 1HH2 ARG 22 -26.669 -2.845 -5.528
173 HH22 ARG 22 2HH2 ARG 22 -25.836 -3.839 -4.381
174 H ARG 23 H ARG 23 -26.062 5.425 -2.428
175 HA ARG 23 HA ARG 23 -28.200 5.511 -0.640
176 HB2 ARG 23 2HB ARG 23 -26.195 6.156 0.313
177 HB3 ARG 23 3HB ARG 23 -25.752 7.171 -1.053
178 HG2 ARG 23 2HG ARG 23 -26.931 8.966 -0.284
179 HG3 ARG 23 3HG ARG 23 -28.098 7.967 0.584
180 HD2 ARG 23 2HD ARG 23 -25.767 7.388 1.886
181 HD3 ARG 23 3HD ARG 23 -25.542 9.087 1.470
182 HE ARG 23 HE ARG 23 -27.406 7.996 3.375
183 HH11 ARG 23 1HH1 ARG 23 -26.647 10.696 1.312
184 HH12 ARG 23 2HH1 ARG 23 -27.573 11.831 2.237
185 HH21 ARG 23 1HH2 ARG 23 -28.629 9.480 4.601
186 HH22 ARG 23 2HH2 ARG 23 -28.699 11.138 4.108
187 H PHE 24 H PHE 24 -27.547 7.388 -3.493
188 HA PHE 24 HA PHE 24 -29.505 9.419 -2.878
189 HB2 PHE 24 2HB PHE 24 -27.410 9.794 -4.261
190 HB3 PHE 24 3HB PHE 24 -28.203 8.897 -5.551
191 HD1 PHE 24 HD1 PHE 24 -28.652 11.846 -3.335
192 HD2 PHE 24 HD2 PHE 24 -29.579 9.996 -7.054
193 HE1 PHE 24 HE1 PHE 24 -29.760 13.912 -4.083
194 HE2 PHE 24 HE2 PHE 24 -30.688 12.059 -7.808
195 HZ PHE 24 HZ PHE 24 -30.779 14.021 -6.322
196 H THR 25 H THR 25 -29.274 6.570 -4.947
197 HA THR 25 HA THR 25 -31.950 6.971 -5.995
198 HB THR 25 HB THR 25 -29.997 5.988 -7.326
199 HG1 THR 25 HG1 THR 25 -31.599 4.252 -8.134
200 HG21 THR 25 3HG2 THR 25 -29.146 3.964 -6.841
201 HG22 THR 25 1HG2 THR 25 -30.726 3.290 -6.447
202 HG23 THR 25 2HG2 THR 25 -29.840 4.222 -5.241