Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
467748 | 2kjo RC | 16333 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LYS 1 1HT LYS 1 -20.495 -8.644 2.339
2 H2 LYS 1 2HT LYS 1 -20.121 -7.692 3.696
3 H3 LYS 1 3HT LYS 1 -18.901 -8.570 2.915
4 HA LYS 1 HA LYS 1 -20.145 -6.925 1.017
5 HB2 LYS 1 2HB LYS 1 -19.817 -5.754 3.713
6 HB3 LYS 1 1HB LYS 1 -19.025 -4.834 2.432
7 HG2 LYS 1 2HG LYS 1 -21.433 -5.416 1.254
8 HG3 LYS 1 1HG LYS 1 -21.909 -5.242 2.944
9 HD2 LYS 1 2HD LYS 1 -20.556 -3.065 2.953
10 HD3 LYS 1 1HD LYS 1 -20.493 -3.216 1.199
11 HE2 LYS 1 2HE LYS 1 -22.977 -3.010 2.915
12 HE3 LYS 1 1HE LYS 1 -22.380 -1.802 1.782
13 HZ1 LYS 1 2HZ LYS 1 -24.078 -3.961 1.274
14 HZ2 LYS 1 3HZ LYS 1 -22.634 -4.243 0.426
15 HZ3 LYS 1 1HZ LYS 1 -23.495 -2.807 0.174
16 H LYS 2 H LYS 2 -18.494 -6.015 -0.282
17 HA LYS 2 HA LYS 2 -15.717 -6.338 0.579
18 HB2 LYS 2 2HB LYS 2 -17.065 -8.099 -1.340
19 HB3 LYS 2 1HB LYS 2 -15.617 -7.337 -1.994
20 HG2 LYS 2 2HG LYS 2 -15.586 -8.626 0.742
21 HG3 LYS 2 1HG LYS 2 -15.326 -9.581 -0.717
22 HD2 LYS 2 2HD LYS 2 -13.290 -8.606 -1.170
23 HD3 LYS 2 1HD LYS 2 -13.765 -7.059 -0.467
24 HE2 LYS 2 2HE LYS 2 -12.011 -8.456 0.828
25 HE3 LYS 2 1HE LYS 2 -13.372 -7.808 1.746
26 HZ1 LYS 2 3HZ LYS 2 -12.617 -10.413 1.664
27 HZ2 LYS 2 1HZ LYS 2 -13.916 -10.373 0.573
28 HZ3 LYS 2 2HZ LYS 2 -14.134 -9.842 2.173
29 H ALA 3 H ALA 3 -15.329 -4.179 0.430
30 HA ALA 3 HA ALA 3 -16.258 -2.561 -1.744
31 HB1 ALA 3 1HB ALA 3 -14.056 -1.965 0.255
32 HB2 ALA 3 2HB ALA 3 -15.764 -1.630 0.515
33 HB3 ALA 3 3HB ALA 3 -14.890 -0.796 -0.765
34 H LEU 4 H LEU 4 -15.287 -4.441 -3.182
35 HA LEU 4 HA LEU 4 -12.606 -4.730 -3.768
36 HB2 LEU 4 2HB LEU 4 -14.739 -4.497 -5.898
37 HB3 LEU 4 1HB LEU 4 -13.253 -5.439 -5.966
38 HG LEU 4 HG LEU 4 -15.635 -5.941 -4.160
39 HD11 LEU 4 1HD1 LEU 4 -15.541 -8.166 -5.393
40 HD12 LEU 4 2HD1 LEU 4 -14.407 -7.403 -6.506
41 HD13 LEU 4 3HD1 LEU 4 -16.053 -6.782 -6.360
42 HD21 LEU 4 3HD2 LEU 4 -12.889 -7.208 -4.280
43 HD22 LEU 4 1HD2 LEU 4 -14.270 -7.962 -3.485
44 HD23 LEU 4 2HD2 LEU 4 -13.648 -6.426 -2.893
45 H LEU 5 H LEU 5 -14.839 -2.513 -5.272
46 HA LEU 5 HA LEU 5 -13.219 -1.060 -6.917
47 HB2 LEU 5 2HB LEU 5 -14.940 0.746 -5.396
48 HB3 LEU 5 1HB LEU 5 -14.969 0.349 -7.111
49 HG LEU 5 HG LEU 5 -16.071 -1.876 -6.422
50 HD11 LEU 5 1HD1 LEU 5 -17.225 -0.680 -4.018
51 HD12 LEU 5 2HD1 LEU 5 -15.486 -0.919 -3.852
52 HD13 LEU 5 3HD1 LEU 5 -16.526 -2.287 -4.242
53 HD21 LEU 5 3HD2 LEU 5 -17.247 0.082 -7.447
54 HD22 LEU 5 1HD2 LEU 5 -17.587 0.686 -5.828
55 HD23 LEU 5 2HD2 LEU 5 -18.279 -0.849 -6.360
56 H ALA 6 H ALA 6 -13.749 -0.510 -3.492
57 HA ALA 6 HA ALA 6 -11.862 1.627 -3.272
58 HB1 ALA 6 1HB ALA 6 -12.191 1.463 -0.895
59 HB2 ALA 6 2HB ALA 6 -12.872 -0.154 -1.053
60 HB3 ALA 6 3HB ALA 6 -13.760 1.241 -1.670
61 H LEU 7 H LEU 7 -11.811 -1.812 -2.570
62 HA LEU 7 HA LEU 7 -9.240 -1.985 -1.468
63 HB2 LEU 7 2HB LEU 7 -10.105 -4.057 -1.219
64 HB3 LEU 7 1HB LEU 7 -11.238 -3.814 -2.540
65 HG LEU 7 HG LEU 7 -9.247 -4.234 -4.118
66 HD11 LEU 7 1HD1 LEU 7 -7.239 -4.355 -3.090
67 HD12 LEU 7 2HD1 LEU 7 -7.743 -5.948 -2.526
68 HD13 LEU 7 3HD1 LEU 7 -7.974 -4.536 -1.492
69 HD21 LEU 7 3HD2 LEU 7 -10.785 -5.970 -4.091
70 HD22 LEU 7 1HD2 LEU 7 -10.630 -6.227 -2.354
71 HD23 LEU 7 2HD2 LEU 7 -9.372 -6.803 -3.448
72 H ALA 8 H ALA 8 -10.351 -2.138 -4.786
73 HA ALA 8 HA ALA 8 -7.832 -2.608 -6.007
74 HB1 ALA 8 1HB ALA 8 -10.467 -2.395 -6.862
75 HB2 ALA 8 2HB ALA 8 -9.055 -2.666 -7.883
76 HB3 ALA 8 3HB ALA 8 -9.656 -1.027 -7.629
77 H LEU 9 H LEU 9 -9.752 0.309 -5.719
78 HA LEU 9 HA LEU 9 -7.864 2.121 -6.755
79 HB2 LEU 9 2HB LEU 9 -10.424 2.279 -5.315
80 HB3 LEU 9 1HB LEU 9 -9.351 3.647 -5.030
81 HG LEU 9 HG LEU 9 -10.783 4.089 -6.964
82 HD11 LEU 9 1HD1 LEU 9 -8.155 3.512 -8.253
83 HD12 LEU 9 2HD1 LEU 9 -8.145 4.550 -6.829
84 HD13 LEU 9 3HD1 LEU 9 -9.100 5.004 -8.238
85 HD21 LEU 9 3HD2 LEU 9 -10.233 2.608 -9.036
86 HD22 LEU 9 1HD2 LEU 9 -11.351 1.982 -7.820
87 HD23 LEU 9 2HD2 LEU 9 -9.674 1.432 -7.847
88 H HIS 10 H HIS 10 -8.855 1.717 -3.409
89 HA HIS 10 HA HIS 10 -7.024 3.354 -2.174
90 HB2 HIS 10 2HB HIS 10 -8.890 2.285 -0.993
91 HB3 HIS 10 1HB HIS 10 -8.066 0.731 -1.099
92 HD1 HIS 10 1HD HIS 10 -8.028 3.978 0.741
93 HD2 HIS 10 2HD HIS 10 -5.730 0.502 0.556
94 HE1 HIS 10 1HE HIS 10 -6.441 4.054 2.713
95 HE2 HIS 10 2HE HIS 10 -5.059 1.926 2.636
96 H HIS 11 H HIS 11 -6.614 -0.157 -2.078
97 HA HIS 11 HA HIS 11 -3.878 -0.006 -1.400
98 HB2 HIS 11 2HB HIS 11 -5.420 -2.329 -2.569
99 HB3 HIS 11 1HB HIS 11 -3.833 -2.435 -1.813
100 HD1 HIS 11 1HD HIS 11 -3.764 -1.538 0.777
101 HD2 HIS 11 2HD HIS 11 -7.506 -2.536 -0.773
102 HE1 HIS 11 1HE HIS 11 -5.326 -1.760 2.764
103 HE2 HIS 11 2HE HIS 11 -7.625 -2.344 1.829
104 H LEU 12 H LEU 12 -3.589 1.658 -3.242
105 HA LEU 12 HA LEU 12 -2.868 0.384 -5.789
106 HB2 LEU 12 2HB LEU 12 -3.571 3.103 -4.929
107 HB3 LEU 12 1HB LEU 12 -2.179 3.046 -6.010
108 HG LEU 12 HG LEU 12 -4.778 1.599 -6.605
109 HD11 LEU 12 1HD1 LEU 12 -5.270 3.465 -8.135
110 HD12 LEU 12 2HD1 LEU 12 -3.833 4.313 -7.575
111 HD13 LEU 12 3HD1 LEU 12 -5.179 4.033 -6.472
112 HD21 LEU 12 3HD2 LEU 12 -2.789 0.761 -7.785
113 HD22 LEU 12 1HD2 LEU 12 -2.389 2.400 -8.297
114 HD23 LEU 12 2HD2 LEU 12 -3.840 1.616 -8.907
115 H ALA 13 H ALA 13 -1.422 2.704 -3.549
116 HA ALA 13 HA ALA 13 1.258 1.704 -4.250
117 HB1 ALA 13 1HB ALA 13 0.305 4.291 -3.834
118 HB2 ALA 13 2HB ALA 13 1.998 3.802 -3.921
119 HB3 ALA 13 3HB ALA 13 1.189 3.909 -2.358
120 H HIS 14 H HIS 14 2.580 0.805 -2.724
121 HA HIS 14 HA HIS 14 2.439 0.863 0.022
122 HB2 HIS 14 2HB HIS 14 0.162 -0.480 -0.978
123 HB3 HIS 14 1HB HIS 14 1.218 -1.715 -0.307
124 HD1 HIS 14 1HD HIS 14 0.520 -2.170 2.018
125 HD2 HIS 14 2HD HIS 14 0.361 1.916 1.142
126 HE1 HIS 14 1HE HIS 14 -0.178 -1.001 4.163
127 HE2 HIS 14 2HE HIS 14 -0.301 1.488 3.646
128 H LEU 15 H LEU 15 2.692 -1.405 -2.644
129 HA LEU 15 HA LEU 15 4.539 -3.149 -1.355
130 HB2 LEU 15 2HB LEU 15 4.258 -2.773 -4.336
131 HB3 LEU 15 1HB LEU 15 4.750 -4.222 -3.460
132 HG LEU 15 HG LEU 15 2.343 -3.900 -2.327
133 HD11 LEU 15 1HD1 LEU 15 2.345 -2.112 -4.643
134 HD12 LEU 15 2HD1 LEU 15 1.179 -2.239 -3.326
135 HD13 LEU 15 3HD1 LEU 15 1.050 -3.309 -4.721
136 HD21 LEU 15 3HD2 LEU 15 1.962 -5.850 -3.402
137 HD22 LEU 15 1HD2 LEU 15 3.462 -5.575 -4.287
138 HD23 LEU 15 2HD2 LEU 15 1.922 -5.051 -4.971
139 H ALA 16 H ALA 16 4.781 -0.160 -2.985
140 HA ALA 16 HA ALA 16 7.453 -0.300 -3.866
141 HB1 ALA 16 1HB ALA 16 7.295 2.121 -4.110
142 HB2 ALA 16 2HB ALA 16 5.836 2.134 -3.123
143 HB3 ALA 16 3HB ALA 16 5.824 1.348 -4.698
144 H LEU 17 H LEU 17 6.170 1.568 -1.167
145 HA LEU 17 HA LEU 17 8.307 2.575 0.053
146 HB2 LEU 17 2HB LEU 17 6.903 1.243 2.165
147 HB3 LEU 17 1HB LEU 17 6.874 2.949 1.728
148 HG LEU 17 HG LEU 17 5.244 0.914 0.214
149 HD11 LEU 17 1HD1 LEU 17 4.501 2.390 2.749
150 HD12 LEU 17 2HD1 LEU 17 4.549 0.644 2.505
151 HD13 LEU 17 3HD1 LEU 17 3.331 1.613 1.684
152 HD21 LEU 17 3HD2 LEU 17 4.360 2.715 -0.846
153 HD22 LEU 17 1HD2 LEU 17 5.740 3.606 -0.215
154 HD23 LEU 17 2HD2 LEU 17 4.205 3.627 0.653
155 H HIS 18 H HIS 18 7.256 -0.725 0.531
156 HA HIS 18 HA HIS 18 9.397 -1.536 2.203
157 HB2 HIS 18 2HB HIS 18 7.955 -3.310 0.234
158 HB3 HIS 18 1HB HIS 18 8.772 -3.786 1.714
159 HD1 HIS 18 1HD HIS 18 7.604 -2.964 4.006
160 HD2 HIS 18 2HD HIS 18 5.369 -2.499 0.530
161 HE1 HIS 18 1HE HIS 18 5.220 -2.528 4.749
162 HE2 HIS 18 2HE HIS 18 3.842 -2.204 2.637
163 H LEU 19 H LEU 19 8.866 -2.249 -1.189
164 HA LEU 19 HA LEU 19 11.332 -3.388 -1.763
165 HB2 LEU 19 2HB LEU 19 10.338 -3.624 -3.770
166 HB3 LEU 19 1HB LEU 19 8.976 -2.717 -3.119
167 HG LEU 19 HG LEU 19 10.230 -0.598 -3.835
168 HD11 LEU 19 1HD1 LEU 19 12.258 -2.479 -4.399
169 HD12 LEU 19 2HD1 LEU 19 12.253 -0.765 -4.823
170 HD13 LEU 19 3HD1 LEU 19 11.649 -1.958 -5.973
171 HD21 LEU 19 3HD2 LEU 19 8.311 -1.865 -5.069
172 HD22 LEU 19 1HD2 LEU 19 9.581 -2.384 -6.180
173 HD23 LEU 19 2HD2 LEU 19 9.231 -0.670 -5.975
174 H ALA 20 H ALA 20 10.255 -0.109 -1.705
175 HA ALA 20 HA ALA 20 12.542 1.136 -2.832
176 HB1 ALA 20 1HB ALA 20 10.375 2.094 -0.974
177 HB2 ALA 20 2HB ALA 20 10.626 2.508 -2.669
178 HB3 ALA 20 3HB ALA 20 11.713 3.145 -1.434
179 H LEU 21 H LEU 21 11.559 0.710 0.532
180 HA LEU 21 HA LEU 21 13.891 1.656 1.754
181 HB2 LEU 21 2HB LEU 21 11.800 -0.349 2.582
182 HB3 LEU 21 1HB LEU 21 13.184 0.001 3.618
183 HG LEU 21 HG LEU 21 11.603 2.294 2.505
184 HD11 LEU 21 1HD1 LEU 21 9.952 0.665 3.454
185 HD12 LEU 21 2HD1 LEU 21 10.045 2.166 4.375
186 HD13 LEU 21 3HD1 LEU 21 10.842 0.714 4.975
187 HD21 LEU 21 3HD2 LEU 21 13.635 2.788 3.737
188 HD22 LEU 21 1HD2 LEU 21 13.156 1.710 5.047
189 HD23 LEU 21 2HD2 LEU 21 12.269 3.207 4.767
190 H ALA 22 H ALA 22 12.936 -1.605 0.866
191 HA ALA 22 HA ALA 22 15.217 -2.993 1.657
192 HB1 ALA 22 1HB ALA 22 13.524 -3.581 -0.773
193 HB2 ALA 22 2HB ALA 22 13.124 -4.072 0.872
194 HB3 ALA 22 3HB ALA 22 14.558 -4.723 0.080
195 H LEU 23 H LEU 23 14.537 -1.386 -1.404
196 HA LEU 23 HA LEU 23 17.019 -2.106 -2.631
197 HB2 LEU 23 2HB LEU 23 14.659 -0.985 -3.526
198 HB3 LEU 23 1HB LEU 23 15.800 0.356 -3.637
199 HG LEU 23 HG LEU 23 16.496 -2.391 -4.682
200 HD11 LEU 23 1HD1 LEU 23 14.532 -1.896 -5.913
201 HD12 LEU 23 2HD1 LEU 23 15.852 -1.353 -6.948
202 HD13 LEU 23 3HD1 LEU 23 14.927 -0.183 -6.009
203 HD21 LEU 23 3HD2 LEU 23 18.255 -0.594 -4.326
204 HD22 LEU 23 1HD2 LEU 23 17.415 0.365 -5.544
205 HD23 LEU 23 2HD2 LEU 23 18.126 -1.188 -5.981
206 H LYS 24 H LYS 24 15.823 0.977 -1.351
207 HA LYS 24 HA LYS 24 18.263 2.372 -1.585
208 HB2 LYS 24 2HB LYS 24 16.017 2.802 0.389
209 HB3 LYS 24 1HB LYS 24 17.304 3.958 0.042
210 HG2 LYS 24 2HG LYS 24 16.590 4.046 -2.320
211 HG3 LYS 24 1HG LYS 24 15.302 2.894 -1.975
212 HD2 LYS 24 2HD LYS 24 15.602 5.679 -0.812
213 HD3 LYS 24 1HD LYS 24 14.372 5.141 -1.952
214 HE2 LYS 24 2HE LYS 24 13.087 4.735 -0.133
215 HE3 LYS 24 1HE LYS 24 14.103 3.319 0.121
216 HZ1 LYS 24 3HZ LYS 24 15.594 4.737 1.447
217 HZ2 LYS 24 1HZ LYS 24 14.039 4.627 2.107
218 HZ3 LYS 24 2HZ LYS 24 14.504 6.025 1.264
219 H LYS 25 H LYS 25 16.944 0.358 0.963
220 HA LYS 25 HA LYS 25 17.875 -0.521 2.875
221 HB2 LYS 25 2HB LYS 25 19.632 -1.066 0.907
222 HB3 LYS 25 1HB LYS 25 20.655 -0.044 1.912
223 HG2 LYS 25 2HG LYS 25 21.054 -2.131 2.864
224 HG3 LYS 25 1HG LYS 25 19.722 -1.559 3.869
225 HD2 LYS 25 2HD LYS 25 18.142 -2.922 2.779
226 HD3 LYS 25 1HD LYS 25 19.169 -3.132 1.360
227 HE2 LYS 25 2HE LYS 25 19.710 -4.277 4.122
228 HE3 LYS 25 1HE LYS 25 19.146 -5.186 2.721
229 HZ1 LYS 25 3HZ LYS 25 21.302 -5.513 2.331
230 HZ2 LYS 25 1HZ LYS 25 21.797 -4.257 3.355
231 HZ3 LYS 25 2HZ LYS 25 21.321 -3.920 1.760
232 H ALA 26 H ALA 26 20.304 0.086 4.157
233 HA ALA 26 HA ALA 26 20.337 2.960 4.597
234 HB1 ALA 26 1HB ALA 26 18.807 1.234 6.256
235 HB2 ALA 26 2HB ALA 26 19.152 2.946 6.494
236 HB3 ALA 26 3HB ALA 26 20.227 1.732 7.177
Start of MODEL 2
1 H1 LYS 1 1HT LYS 1 -10.743 9.548 -20.977
2 H2 LYS 1 2HT LYS 1 -10.829 11.053 -21.757
3 H3 LYS 1 3HT LYS 1 -12.208 10.392 -21.029
4 HA LYS 1 HA LYS 1 -10.889 12.241 -19.811
5 HB2 LYS 1 2HB LYS 1 -11.556 9.713 -18.273
6 HB3 LYS 1 1HB LYS 1 -11.623 11.374 -17.691
7 HG2 LYS 1 2HG LYS 1 -13.439 11.833 -19.355
8 HG3 LYS 1 1HG LYS 1 -13.429 10.123 -19.785
9 HD2 LYS 1 2HD LYS 1 -14.032 9.487 -17.526
10 HD3 LYS 1 1HD LYS 1 -13.885 11.153 -16.971
11 HE2 LYS 1 2HE LYS 1 -16.259 10.443 -17.381
12 HE3 LYS 1 1HE LYS 1 -15.775 11.840 -18.338
13 HZ1 LYS 1 2HZ LYS 1 -15.580 10.552 -20.255
14 HZ2 LYS 1 3HZ LYS 1 -16.995 9.970 -19.515
15 HZ3 LYS 1 1HZ LYS 1 -15.552 9.089 -19.389
16 H LYS 2 H LYS 2 -9.326 12.220 -17.916
17 HA LYS 2 HA LYS 2 -6.787 11.336 -18.706
18 HB2 LYS 2 2HB LYS 2 -7.791 11.907 -15.902
19 HB3 LYS 2 1HB LYS 2 -6.097 11.823 -16.385
20 HG2 LYS 2 2HG LYS 2 -7.641 13.632 -18.097
21 HG3 LYS 2 1HG LYS 2 -7.700 14.114 -16.401
22 HD2 LYS 2 2HD LYS 2 -5.005 13.318 -17.227
23 HD3 LYS 2 1HD LYS 2 -5.629 14.655 -18.194
24 HE2 LYS 2 2HE LYS 2 -5.372 14.538 -15.174
25 HE3 LYS 2 1HE LYS 2 -4.534 15.624 -16.279
26 HZ1 LYS 2 3HZ LYS 2 -7.212 15.983 -16.800
27 HZ2 LYS 2 1HZ LYS 2 -6.199 17.040 -15.949
28 HZ3 LYS 2 2HZ LYS 2 -7.119 15.889 -15.106
29 H ALA 3 H ALA 3 -5.546 9.550 -18.114
30 HA ALA 3 HA ALA 3 -6.937 7.101 -17.793
31 HB1 ALA 3 1HB ALA 3 -4.059 7.131 -17.120
32 HB2 ALA 3 2HB ALA 3 -4.473 7.769 -18.710
33 HB3 ALA 3 3HB ALA 3 -4.942 6.129 -18.269
34 H LEU 4 H LEU 4 -7.916 8.435 -15.719
35 HA LEU 4 HA LEU 4 -6.594 8.354 -13.261
36 HB2 LEU 4 2HB LEU 4 -9.388 8.488 -14.181
37 HB3 LEU 4 1HB LEU 4 -9.192 7.731 -12.601
38 HG LEU 4 HG LEU 4 -7.869 9.698 -11.847
39 HD11 LEU 4 1HD1 LEU 4 -6.921 10.787 -13.617
40 HD12 LEU 4 2HD1 LEU 4 -8.411 11.728 -13.546
41 HD13 LEU 4 3HD1 LEU 4 -8.262 10.404 -14.702
42 HD21 LEU 4 3HD2 LEU 4 -9.759 11.107 -11.509
43 HD22 LEU 4 1HD2 LEU 4 -10.417 9.482 -11.659
44 HD23 LEU 4 2HD2 LEU 4 -10.511 10.597 -13.021
45 H LEU 5 H LEU 5 -9.000 6.083 -14.416
46 HA LEU 5 HA LEU 5 -8.693 4.059 -12.563
47 HB2 LEU 5 2HB LEU 5 -9.106 3.501 -15.503
48 HB3 LEU 5 1HB LEU 5 -9.714 2.575 -14.130
49 HG LEU 5 HG LEU 5 -10.578 5.354 -14.984
50 HD11 LEU 5 1HD1 LEU 5 -12.838 4.003 -14.873
51 HD12 LEU 5 2HD1 LEU 5 -11.780 2.602 -15.050
52 HD13 LEU 5 3HD1 LEU 5 -11.796 3.862 -16.288
53 HD21 LEU 5 3HD2 LEU 5 -10.715 5.562 -12.678
54 HD22 LEU 5 1HD2 LEU 5 -10.907 3.825 -12.432
55 HD23 LEU 5 2HD2 LEU 5 -12.266 4.791 -13.004
56 H ALA 6 H ALA 6 -7.162 4.305 -15.702
57 HA ALA 6 HA ALA 6 -5.458 2.133 -15.624
58 HB1 ALA 6 1HB ALA 6 -4.188 3.154 -17.330
59 HB2 ALA 6 2HB ALA 6 -4.535 4.775 -16.733
60 HB3 ALA 6 3HB ALA 6 -5.800 3.838 -17.526
61 H LEU 7 H LEU 7 -4.886 5.369 -14.383
62 HA LEU 7 HA LEU 7 -2.274 4.858 -13.376
63 HB2 LEU 7 2HB LEU 7 -4.297 6.995 -13.143
64 HB3 LEU 7 1HB LEU 7 -3.234 6.833 -11.752
65 HG LEU 7 HG LEU 7 -1.271 7.141 -13.108
66 HD11 LEU 7 1HD1 LEU 7 -1.345 6.232 -15.180
67 HD12 LEU 7 2HD1 LEU 7 -2.113 7.736 -15.686
68 HD13 LEU 7 3HD1 LEU 7 -3.102 6.341 -15.257
69 HD21 LEU 7 3HD2 LEU 7 -3.014 9.149 -14.425
70 HD22 LEU 7 1HD2 LEU 7 -1.561 9.384 -13.456
71 HD23 LEU 7 2HD2 LEU 7 -3.105 9.082 -12.664
72 H ALA 8 H ALA 8 -5.328 5.298 -11.704
73 HA ALA 8 HA ALA 8 -4.675 4.528 -9.150
74 HB1 ALA 8 1HB ALA 8 -6.877 4.927 -8.971
75 HB2 ALA 8 2HB ALA 8 -7.170 3.322 -9.643
76 HB3 ALA 8 3HB ALA 8 -7.089 4.724 -10.710
77 H LEU 9 H LEU 9 -5.855 2.455 -11.708
78 HA LEU 9 HA LEU 9 -5.777 -0.022 -10.489
79 HB2 LEU 9 2HB LEU 9 -5.527 0.943 -13.272
80 HB3 LEU 9 1HB LEU 9 -4.909 -0.678 -12.976
81 HG LEU 9 HG LEU 9 -7.632 0.152 -11.965
82 HD11 LEU 9 1HD1 LEU 9 -7.165 -1.243 -14.606
83 HD12 LEU 9 2HD1 LEU 9 -7.333 0.508 -14.502
84 HD13 LEU 9 3HD1 LEU 9 -8.659 -0.538 -13.993
85 HD21 LEU 9 3HD2 LEU 9 -6.356 -1.977 -11.238
86 HD22 LEU 9 1HD2 LEU 9 -6.646 -2.564 -12.872
87 HD23 LEU 9 2HD2 LEU 9 -8.010 -2.194 -11.812
88 H HIS 10 H HIS 10 -3.252 1.101 -12.657
89 HA HIS 10 HA HIS 10 -1.328 -0.776 -11.911
90 HB2 HIS 10 2HB HIS 10 -0.680 0.191 -13.866
91 HB3 HIS 10 1HB HIS 10 -1.350 1.760 -13.425
92 HD1 HIS 10 1HD HIS 10 1.381 -0.338 -11.747
93 HD2 HIS 10 2HD HIS 10 0.806 3.487 -13.326
94 HE1 HIS 10 1HE HIS 10 3.530 0.947 -11.338
95 HE2 HIS 10 2HE HIS 10 3.189 3.285 -12.278
96 H HIS 11 H HIS 11 -1.798 2.539 -10.769
97 HA HIS 11 HA HIS 11 0.460 2.524 -9.047
98 HB2 HIS 11 2HB HIS 11 -1.951 4.301 -9.288
99 HB3 HIS 11 1HB HIS 11 -0.813 4.507 -7.955
100 HD1 HIS 11 1HD HIS 11 1.859 4.048 -9.213
101 HD2 HIS 11 2HD HIS 11 -1.159 6.144 -11.195
102 HE1 HIS 11 1HE HIS 11 3.004 5.459 -10.985
103 HE2 HIS 11 2HE HIS 11 1.181 6.773 -12.186
104 H LEU 12 H LEU 12 -0.630 0.155 -8.462
105 HA LEU 12 HA LEU 12 -2.481 -0.005 -6.376
106 HB2 LEU 12 2HB LEU 12 0.003 -1.701 -6.724
107 HB3 LEU 12 1HB LEU 12 -1.439 -2.141 -5.813
108 HG LEU 12 HG LEU 12 -1.574 -1.446 -8.753
109 HD11 LEU 12 1HD1 LEU 12 -0.016 -3.287 -8.631
110 HD12 LEU 12 2HD1 LEU 12 -1.577 -3.947 -9.118
111 HD13 LEU 12 3HD1 LEU 12 -1.022 -4.129 -7.454
112 HD21 LEU 12 3HD2 LEU 12 -3.345 -2.795 -6.715
113 HD22 LEU 12 1HD2 LEU 12 -3.576 -3.078 -8.443
114 HD23 LEU 12 2HD2 LEU 12 -3.726 -1.449 -7.788
115 H ALA 13 H ALA 13 0.971 0.483 -6.381
116 HA ALA 13 HA ALA 13 2.464 1.308 -4.853
117 HB1 ALA 13 1HB ALA 13 1.690 3.086 -3.390
118 HB2 ALA 13 2HB ALA 13 0.015 2.591 -3.626
119 HB3 ALA 13 3HB ALA 13 0.934 3.255 -4.977
120 H HIS 14 H HIS 14 2.483 1.745 -2.233
121 HA HIS 14 HA HIS 14 2.576 0.810 -0.151
122 HB2 HIS 14 2HB HIS 14 0.150 -0.407 -1.264
123 HB3 HIS 14 1HB HIS 14 0.957 -1.406 -0.058
124 HD1 HIS 14 1HD HIS 14 1.290 -0.341 2.344
125 HD2 HIS 14 2HD HIS 14 -1.051 1.925 -0.263
126 HE1 HIS 14 1HE HIS 14 0.115 1.403 3.763
127 HE2 HIS 14 2HE HIS 14 -1.309 2.802 2.184
128 H LEU 15 H LEU 15 2.692 -1.170 -2.955
129 HA LEU 15 HA LEU 15 4.153 -3.350 -1.717
130 HB2 LEU 15 2HB LEU 15 3.426 -2.653 -4.561
131 HB3 LEU 15 1HB LEU 15 4.380 -4.075 -4.133
132 HG LEU 15 HG LEU 15 1.862 -3.678 -2.597
133 HD11 LEU 15 1HD1 LEU 15 1.096 -3.092 -4.839
134 HD12 LEU 15 2HD1 LEU 15 0.521 -4.711 -4.429
135 HD13 LEU 15 3HD1 LEU 15 1.897 -4.510 -5.514
136 HD21 LEU 15 3HD2 LEU 15 2.599 -6.201 -4.001
137 HD22 LEU 15 1HD2 LEU 15 1.999 -5.960 -2.355
138 HD23 LEU 15 2HD2 LEU 15 3.694 -5.651 -2.735
139 H ALA 16 H ALA 16 4.916 -0.283 -2.795
140 HA ALA 16 HA ALA 16 7.649 -1.034 -3.565
141 HB1 ALA 16 1HB ALA 16 6.014 0.572 -4.915
142 HB2 ALA 16 2HB ALA 16 7.761 0.820 -4.893
143 HB3 ALA 16 3HB ALA 16 6.722 1.770 -3.831
144 H LEU 17 H LEU 17 5.924 1.050 -1.292
145 HA LEU 17 HA LEU 17 7.856 2.613 -0.239
146 HB2 LEU 17 2HB LEU 17 6.770 2.386 1.979
147 HB3 LEU 17 1HB LEU 17 5.629 2.677 0.671
148 HG LEU 17 HG LEU 17 5.645 -0.042 0.687
149 HD11 LEU 17 1HD1 LEU 17 6.013 -0.950 2.795
150 HD12 LEU 17 2HD1 LEU 17 5.620 0.555 3.619
151 HD13 LEU 17 3HD1 LEU 17 7.190 0.361 2.848
152 HD21 LEU 17 3HD2 LEU 17 3.496 0.143 1.608
153 HD22 LEU 17 1HD2 LEU 17 3.772 1.774 0.995
154 HD23 LEU 17 2HD2 LEU 17 3.973 1.430 2.713
155 H HIS 18 H HIS 18 7.284 -0.694 0.730
156 HA HIS 18 HA HIS 18 9.570 -0.854 2.449
157 HB2 HIS 18 2HB HIS 18 9.005 -3.151 2.700
158 HB3 HIS 18 1HB HIS 18 7.491 -2.282 2.501
159 HD1 HIS 18 1HD HIS 18 9.201 -5.146 1.207
160 HD2 HIS 18 2HD HIS 18 6.677 -2.243 -0.413
161 HE1 HIS 18 1HE HIS 18 8.362 -6.063 -0.999
162 HE2 HIS 18 2HE HIS 18 6.834 -4.307 -2.003
163 H LEU 19 H LEU 19 8.840 -1.866 -0.802
164 HA LEU 19 HA LEU 19 11.259 -3.124 -1.451
165 HB2 LEU 19 2HB LEU 19 8.939 -2.684 -2.794
166 HB3 LEU 19 1HB LEU 19 9.971 -1.471 -3.556
167 HG LEU 19 HG LEU 19 10.042 -3.646 -4.753
168 HD11 LEU 19 1HD1 LEU 19 12.306 -3.531 -5.181
169 HD12 LEU 19 2HD1 LEU 19 12.734 -3.386 -3.478
170 HD13 LEU 19 3HD1 LEU 19 12.076 -2.000 -4.345
171 HD21 LEU 19 3HD2 LEU 19 11.680 -4.973 -2.702
172 HD22 LEU 19 1HD2 LEU 19 10.405 -5.630 -3.726
173 HD23 LEU 19 2HD2 LEU 19 9.990 -4.776 -2.239
174 H ALA 20 H ALA 20 10.290 0.179 -1.156
175 HA ALA 20 HA ALA 20 12.469 1.405 -2.498
176 HB1 ALA 20 1HB ALA 20 11.653 3.397 -1.694
177 HB2 ALA 20 2HB ALA 20 11.329 2.737 -0.091
178 HB3 ALA 20 3HB ALA 20 10.224 2.400 -1.423
179 H LEU 21 H LEU 21 11.896 0.836 0.941
180 HA LEU 21 HA LEU 21 14.445 1.564 1.861
181 HB2 LEU 21 2HB LEU 21 12.639 -0.576 3.015
182 HB3 LEU 21 1HB LEU 21 13.919 0.293 3.866
183 HG LEU 21 HG LEU 21 11.834 1.957 2.526
184 HD11 LEU 21 1HD1 LEU 21 10.129 0.842 3.530
185 HD12 LEU 21 2HD1 LEU 21 10.722 1.568 5.021
186 HD13 LEU 21 3HD1 LEU 21 11.219 -0.067 4.578
187 HD21 LEU 21 3HD2 LEU 21 12.304 3.445 4.318
188 HD22 LEU 21 1HD2 LEU 21 13.866 2.734 3.918
189 HD23 LEU 21 2HD2 LEU 21 12.970 2.158 5.322
190 H ALA 22 H ALA 22 13.128 -1.547 0.882
191 HA ALA 22 HA ALA 22 15.446 -3.100 1.288
192 HB1 ALA 22 1HB ALA 22 14.298 -4.399 -0.774
193 HB2 ALA 22 2HB ALA 22 12.940 -3.385 -0.282
194 HB3 ALA 22 3HB ALA 22 13.677 -4.492 0.874
195 H LEU 23 H LEU 23 14.397 -1.067 -1.337
196 HA LEU 23 HA LEU 23 16.524 -1.839 -3.126
197 HB2 LEU 23 2HB LEU 23 14.378 -1.073 -4.025
198 HB3 LEU 23 1HB LEU 23 14.575 0.480 -3.215
199 HG LEU 23 HG LEU 23 16.859 -0.306 -4.923
200 HD11 LEU 23 1HD1 LEU 23 15.713 0.225 -7.032
201 HD12 LEU 23 2HD1 LEU 23 14.186 0.412 -6.173
202 HD13 LEU 23 3HD1 LEU 23 14.956 -1.172 -6.265
203 HD21 LEU 23 3HD2 LEU 23 15.238 2.135 -4.262
204 HD22 LEU 23 1HD2 LEU 23 16.226 2.138 -5.729
205 HD23 LEU 23 2HD2 LEU 23 16.979 1.890 -4.154
206 H LYS 24 H LYS 24 15.960 0.539 -0.677
207 HA LYS 24 HA LYS 24 18.165 2.229 -1.427
208 HB2 LYS 24 2HB LYS 24 15.980 2.740 0.028
209 HB3 LYS 24 1HB LYS 24 17.073 2.308 1.343
210 HG2 LYS 24 2HG LYS 24 18.553 3.989 -0.392
211 HG3 LYS 24 1HG LYS 24 16.975 4.750 -0.207
212 HD2 LYS 24 2HD LYS 24 18.224 5.616 1.601
213 HD3 LYS 24 1HD LYS 24 17.273 4.322 2.328
214 HE2 LYS 24 2HE LYS 24 19.821 4.451 2.875
215 HE3 LYS 24 1HE LYS 24 19.126 2.880 2.487
216 HZ1 LYS 24 3HZ LYS 24 20.330 4.599 0.398
217 HZ2 LYS 24 1HZ LYS 24 20.025 2.928 0.351
218 HZ3 LYS 24 2HZ LYS 24 21.278 3.531 1.331
219 H LYS 25 H LYS 25 17.632 -0.434 0.778
220 HA LYS 25 HA LYS 25 19.065 -1.617 2.142
221 HB2 LYS 25 2HB LYS 25 21.208 -0.634 0.231
222 HB3 LYS 25 1HB LYS 25 21.275 -2.064 1.256
223 HG2 LYS 25 2HG LYS 25 20.242 -3.289 -0.322
224 HG3 LYS 25 1HG LYS 25 18.878 -2.174 -0.320
225 HD2 LYS 25 2HD LYS 25 19.497 -1.668 -2.439
226 HD3 LYS 25 1HD LYS 25 20.811 -0.756 -1.702
227 HE2 LYS 25 2HE LYS 25 21.758 -2.266 -3.358
228 HE3 LYS 25 1HE LYS 25 22.209 -2.848 -1.755
229 HZ1 LYS 25 3HZ LYS 25 21.417 -4.766 -2.619
230 HZ2 LYS 25 1HZ LYS 25 20.369 -3.996 -3.703
231 HZ3 LYS 25 2HZ LYS 25 19.936 -4.145 -2.071
232 H ALA 26 H ALA 26 22.028 -0.247 1.860
233 HA ALA 26 HA ALA 26 21.753 1.171 4.391
234 HB1 ALA 26 1HB ALA 26 24.378 1.447 3.679
235 HB2 ALA 26 2HB ALA 26 23.953 -0.067 2.881
236 HB3 ALA 26 3HB ALA 26 23.731 0.100 4.622
Start of MODEL 3
1 H1 LYS 1 1HT LYS 1 14.112 11.734 12.661
2 H2 LYS 1 2HT LYS 1 14.678 10.423 13.573
3 H3 LYS 1 3HT LYS 1 13.020 10.592 13.268
4 HA LYS 1 HA LYS 1 14.455 8.931 11.884
5 HB2 LYS 1 2HB LYS 1 12.456 10.847 10.641
6 HB3 LYS 1 1HB LYS 1 12.890 9.267 10.001
7 HG2 LYS 1 2HG LYS 1 11.594 9.773 12.705
8 HG3 LYS 1 1HG LYS 1 10.761 9.177 11.272
9 HD2 LYS 1 2HD LYS 1 12.722 7.354 11.355
10 HD3 LYS 1 1HD LYS 1 12.698 7.772 13.067
11 HE2 LYS 1 2HE LYS 1 10.601 6.428 11.413
12 HE3 LYS 1 1HE LYS 1 11.101 6.103 13.072
13 HZ1 LYS 1 2HZ LYS 1 10.104 8.502 13.409
14 HZ2 LYS 1 3HZ LYS 1 9.132 7.115 13.471
15 HZ3 LYS 1 1HZ LYS 1 9.179 8.048 12.058
16 H LYS 2 H LYS 2 15.057 9.107 9.406
17 HA LYS 2 HA LYS 2 16.555 11.581 8.857
18 HB2 LYS 2 2HB LYS 2 17.726 8.796 8.998
19 HB3 LYS 2 1HB LYS 2 18.487 10.087 8.066
20 HG2 LYS 2 2HG LYS 2 17.709 10.696 10.886
21 HG3 LYS 2 1HG LYS 2 19.107 9.659 10.635
22 HD2 LYS 2 2HD LYS 2 19.527 11.697 8.799
23 HD3 LYS 2 1HD LYS 2 18.813 12.545 10.171
24 HE2 LYS 2 2HE LYS 2 21.280 12.432 10.361
25 HE3 LYS 2 1HE LYS 2 20.492 11.565 11.679
26 HZ1 LYS 2 3HZ LYS 2 21.109 10.034 9.275
27 HZ2 LYS 2 1HZ LYS 2 21.184 9.573 10.908
28 HZ3 LYS 2 2HZ LYS 2 22.425 10.515 10.240
29 H ALA 3 H ALA 3 17.664 9.242 6.827
30 HA ALA 3 HA ALA 3 16.648 10.181 4.472
31 HB1 ALA 3 1HB ALA 3 17.033 7.831 3.573
32 HB2 ALA 3 2HB ALA 3 17.444 7.369 5.226
33 HB3 ALA 3 3HB ALA 3 18.410 8.583 4.382
34 H LEU 4 H LEU 4 15.017 8.230 6.801
35 HA LEU 4 HA LEU 4 13.034 6.926 5.470
36 HB2 LEU 4 2HB LEU 4 12.768 6.654 7.732
37 HB3 LEU 4 1HB LEU 4 13.189 8.327 8.085
38 HG LEU 4 HG LEU 4 10.634 7.805 6.615
39 HD11 LEU 4 1HD1 LEU 4 9.446 7.241 8.569
40 HD12 LEU 4 2HD1 LEU 4 10.816 7.624 9.610
41 HD13 LEU 4 3HD1 LEU 4 10.860 6.189 8.584
42 HD21 LEU 4 3HD2 LEU 4 11.930 9.975 8.009
43 HD22 LEU 4 1HD2 LEU 4 10.392 9.612 8.795
44 HD23 LEU 4 2HD2 LEU 4 10.434 10.004 7.076
45 H LEU 5 H LEU 5 13.239 10.342 6.175
46 HA LEU 5 HA LEU 5 10.811 11.314 5.371
47 HB2 LEU 5 2HB LEU 5 12.495 12.831 6.202
48 HB3 LEU 5 1HB LEU 5 13.559 12.460 4.847
49 HG LEU 5 HG LEU 5 11.938 13.452 3.279
50 HD11 LEU 5 1HD1 LEU 5 10.010 14.751 4.266
51 HD12 LEU 5 2HD1 LEU 5 10.333 13.945 5.803
52 HD13 LEU 5 3HD1 LEU 5 9.851 13.001 4.388
53 HD21 LEU 5 3HD2 LEU 5 13.131 15.323 3.680
54 HD22 LEU 5 1HD2 LEU 5 13.349 14.879 5.372
55 HD23 LEU 5 2HD2 LEU 5 11.918 15.783 4.875
56 H ALA 6 H ALA 6 13.579 10.617 3.299
57 HA ALA 6 HA ALA 6 12.304 11.242 0.848
58 HB1 ALA 6 1HB ALA 6 14.601 11.094 0.578
59 HB2 ALA 6 2HB ALA 6 14.106 9.512 -0.030
60 HB3 ALA 6 3HB ALA 6 14.731 9.669 1.611
61 H LEU 7 H LEU 7 12.668 8.255 2.641
62 HA LEU 7 HA LEU 7 11.438 6.527 0.798
63 HB2 LEU 7 2HB LEU 7 12.643 5.485 2.539
64 HB3 LEU 7 1HB LEU 7 11.846 6.443 3.782
65 HG LEU 7 HG LEU 7 9.690 5.275 3.242
66 HD11 LEU 7 1HD1 LEU 7 11.517 3.960 1.256
67 HD12 LEU 7 2HD1 LEU 7 9.849 4.497 1.055
68 HD13 LEU 7 3HD1 LEU 7 10.197 3.018 1.952
69 HD21 LEU 7 3HD2 LEU 7 10.794 4.353 5.107
70 HD22 LEU 7 1HD2 LEU 7 12.131 3.741 4.135
71 HD23 LEU 7 2HD2 LEU 7 10.555 2.950 4.063
72 H ALA 8 H ALA 8 10.197 8.399 3.482
73 HA ALA 8 HA ALA 8 7.476 7.582 3.233
74 HB1 ALA 8 1HB ALA 8 8.453 8.517 5.309
75 HB2 ALA 8 2HB ALA 8 7.016 9.398 4.788
76 HB3 ALA 8 3HB ALA 8 8.620 10.075 4.497
77 H LEU 9 H LEU 9 9.195 10.511 2.421
78 HA LEU 9 HA LEU 9 7.290 12.114 1.351
79 HB2 LEU 9 2HB LEU 9 9.624 12.783 1.559
80 HB3 LEU 9 1HB LEU 9 10.074 11.678 0.262
81 HG LEU 9 HG LEU 9 8.474 12.959 -1.244
82 HD11 LEU 9 1HD1 LEU 9 7.030 14.228 0.009
83 HD12 LEU 9 2HD1 LEU 9 8.303 15.433 -0.181
84 HD13 LEU 9 3HD1 LEU 9 8.207 14.480 1.302
85 HD21 LEU 9 3HD2 LEU 9 10.972 13.304 -1.176
86 HD22 LEU 9 1HD2 LEU 9 10.703 14.627 -0.043
87 HD23 LEU 9 2HD2 LEU 9 10.063 14.729 -1.683
88 H HIS 10 H HIS 10 9.316 10.256 -0.875
89 HA HIS 10 HA HIS 10 7.334 10.485 -2.942
90 HB2 HIS 10 2HB HIS 10 9.554 10.666 -3.690
91 HB3 HIS 10 1HB HIS 10 10.053 9.212 -2.827
92 HD1 HIS 10 1HD HIS 10 7.197 9.865 -5.285
93 HD2 HIS 10 2HD HIS 10 10.414 7.260 -4.738
94 HE1 HIS 10 1HE HIS 10 7.078 8.173 -7.166
95 HE2 HIS 10 2HE HIS 10 9.040 6.583 -6.858
96 H HIS 11 H HIS 11 9.032 7.553 -1.975
97 HA HIS 11 HA HIS 11 7.351 5.730 -3.127
98 HB2 HIS 11 2HB HIS 11 8.768 5.272 -0.505
99 HB3 HIS 11 1HB HIS 11 8.326 4.059 -1.706
100 HD1 HIS 11 1HD HIS 11 9.743 3.935 -3.877
101 HD2 HIS 11 2HD HIS 11 11.035 6.858 -1.191
102 HE1 HIS 11 1HE HIS 11 12.036 4.673 -4.668
103 HE2 HIS 11 2HE HIS 11 12.815 6.500 -3.073
104 H LEU 12 H LEU 12 5.173 6.487 -2.841
105 HA LEU 12 HA LEU 12 3.990 6.310 -0.177
106 HB2 LEU 12 2HB LEU 12 2.806 6.905 -2.899
107 HB3 LEU 12 1HB LEU 12 1.870 6.862 -1.407
108 HG LEU 12 HG LEU 12 4.126 8.756 -2.104
109 HD11 LEU 12 1HD1 LEU 12 1.771 9.175 -2.934
110 HD12 LEU 12 2HD1 LEU 12 2.439 10.448 -1.913
111 HD13 LEU 12 3HD1 LEU 12 1.278 9.301 -1.245
112 HD21 LEU 12 3HD2 LEU 12 4.574 8.427 0.149
113 HD22 LEU 12 1HD2 LEU 12 2.901 8.005 0.527
114 HD23 LEU 12 2HD2 LEU 12 3.345 9.687 0.248
115 H ALA 13 H ALA 13 3.717 4.752 -3.298
116 HA ALA 13 HA ALA 13 1.764 2.916 -2.978
117 HB1 ALA 13 1HB ALA 13 4.232 2.982 -4.533
118 HB2 ALA 13 2HB ALA 13 2.606 2.488 -5.000
119 HB3 ALA 13 3HB ALA 13 3.670 1.348 -4.181
120 H HIS 14 H HIS 14 1.402 1.015 -2.055
121 HA HIS 14 HA HIS 14 2.720 0.336 0.359
122 HB2 HIS 14 2HB HIS 14 0.838 -1.367 -1.280
123 HB3 HIS 14 1HB HIS 14 1.212 -1.563 0.429
124 HD1 HIS 14 1HD HIS 14 -0.352 -0.421 2.002
125 HD2 HIS 14 2HD HIS 14 -0.417 1.347 -1.780
126 HE1 HIS 14 1HE HIS 14 -2.142 1.377 2.064
127 HE2 HIS 14 2HE HIS 14 -2.181 2.462 -0.223
128 H LEU 15 H LEU 15 2.535 -1.322 -2.740
129 HA LEU 15 HA LEU 15 4.371 -3.387 -2.023
130 HB2 LEU 15 2HB LEU 15 3.029 -2.477 -4.531
131 HB3 LEU 15 1HB LEU 15 4.375 -3.610 -4.636
132 HG LEU 15 HG LEU 15 2.092 -4.112 -2.722
133 HD11 LEU 15 1HD1 LEU 15 2.250 -4.886 -5.650
134 HD12 LEU 15 2HD1 LEU 15 1.037 -3.842 -4.908
135 HD13 LEU 15 3HD1 LEU 15 1.094 -5.559 -4.504
136 HD21 LEU 15 3HD2 LEU 15 2.836 -6.450 -3.004
137 HD22 LEU 15 1HD2 LEU 15 4.192 -5.435 -2.510
138 HD23 LEU 15 2HD2 LEU 15 4.030 -5.937 -4.194
139 H ALA 16 H ALA 16 4.819 -0.203 -2.660
140 HA ALA 16 HA ALA 16 7.440 -0.610 -3.909
141 HB1 ALA 16 1HB ALA 16 5.964 1.997 -3.585
142 HB2 ALA 16 2HB ALA 16 5.779 0.942 -4.987
143 HB3 ALA 16 3HB ALA 16 7.345 1.666 -4.629
144 H LEU 17 H LEU 17 5.959 1.356 -1.350
145 HA LEU 17 HA LEU 17 8.137 2.594 -0.306
146 HB2 LEU 17 2HB LEU 17 7.004 2.719 1.809
147 HB3 LEU 17 1HB LEU 17 5.823 2.860 0.515
148 HG LEU 17 HG LEU 17 5.675 0.213 0.865
149 HD11 LEU 17 1HD1 LEU 17 5.932 0.930 3.729
150 HD12 LEU 17 2HD1 LEU 17 7.460 0.792 2.860
151 HD13 LEU 17 3HD1 LEU 17 6.343 -0.574 2.909
152 HD21 LEU 17 3HD2 LEU 17 3.887 2.010 1.118
153 HD22 LEU 17 1HD2 LEU 17 4.353 2.109 2.817
154 HD23 LEU 17 2HD2 LEU 17 3.701 0.608 2.170
155 H HIS 18 H HIS 18 7.067 -0.604 0.627
156 HA HIS 18 HA HIS 18 9.168 -1.147 2.435
157 HB2 HIS 18 2HB HIS 18 8.397 -3.391 2.404
158 HB3 HIS 18 1HB HIS 18 6.991 -2.376 2.125
159 HD1 HIS 18 1HD HIS 18 8.562 -5.276 0.760
160 HD2 HIS 18 2HD HIS 18 6.574 -1.971 -0.838
161 HE1 HIS 18 1HE HIS 18 7.886 -5.919 -1.600
162 HE2 HIS 18 2HE HIS 18 6.694 -3.904 -2.603
163 H LEU 19 H LEU 19 8.759 -1.888 -0.952
164 HA LEU 19 HA LEU 19 11.231 -3.236 -1.304
165 HB2 LEU 19 2HB LEU 19 9.348 -3.431 -2.905
166 HB3 LEU 19 1HB LEU 19 9.563 -1.736 -3.344
167 HG LEU 19 HG LEU 19 12.119 -3.013 -3.523
168 HD11 LEU 19 1HD1 LEU 19 11.686 -4.726 -5.197
169 HD12 LEU 19 2HD1 LEU 19 9.951 -4.423 -5.100
170 HD13 LEU 19 3HD1 LEU 19 10.800 -5.116 -3.722
171 HD21 LEU 19 3HD2 LEU 19 12.024 -2.210 -5.798
172 HD22 LEU 19 1HD2 LEU 19 11.206 -1.019 -4.792
173 HD23 LEU 19 2HD2 LEU 19 10.263 -2.150 -5.763
174 H ALA 20 H ALA 20 10.176 0.061 -1.342
175 HA ALA 20 HA ALA 20 12.407 1.272 -2.575
176 HB1 ALA 20 1HB ALA 20 10.173 2.348 -1.888
177 HB2 ALA 20 2HB ALA 20 11.631 3.320 -1.694
178 HB3 ALA 20 3HB ALA 20 10.903 2.533 -0.296
179 H LEU 21 H LEU 21 11.721 0.677 0.829
180 HA LEU 21 HA LEU 21 14.144 1.649 1.857
181 HB2 LEU 21 2HB LEU 21 12.171 1.088 3.266
182 HB3 LEU 21 1HB LEU 21 12.463 -0.624 2.947
183 HG LEU 21 HG LEU 21 14.746 -0.376 3.948
184 HD11 LEU 21 1HD1 LEU 21 13.800 2.451 4.157
185 HD12 LEU 21 2HD1 LEU 21 15.415 1.827 3.813
186 HD13 LEU 21 3HD1 LEU 21 14.799 1.819 5.466
187 HD21 LEU 21 3HD2 LEU 21 12.512 -0.912 5.240
188 HD22 LEU 21 1HD2 LEU 21 12.780 0.670 5.971
189 HD23 LEU 21 2HD2 LEU 21 13.990 -0.599 6.144
190 H ALA 22 H ALA 22 13.174 -1.637 1.032
191 HA ALA 22 HA ALA 22 15.592 -2.934 1.520
192 HB1 ALA 22 1HB ALA 22 13.178 -3.490 -0.093
193 HB2 ALA 22 2HB ALA 22 14.022 -4.518 1.065
194 HB3 ALA 22 3HB ALA 22 14.636 -4.357 -0.583
195 H LEU 23 H LEU 23 14.443 -1.267 -1.351
196 HA LEU 23 HA LEU 23 16.594 -1.901 -3.055
197 HB2 LEU 23 2HB LEU 23 14.256 -0.509 -3.352
198 HB3 LEU 23 1HB LEU 23 15.442 0.794 -3.380
199 HG LEU 23 HG LEU 23 15.082 -0.002 -5.647
200 HD11 LEU 23 1HD1 LEU 23 17.420 0.585 -4.853
201 HD12 LEU 23 2HD1 LEU 23 17.360 -0.463 -6.275
202 HD13 LEU 23 3HD1 LEU 23 17.717 -1.143 -4.686
203 HD21 LEU 23 3HD2 LEU 23 16.207 -2.626 -5.557
204 HD22 LEU 23 1HD2 LEU 23 14.566 -2.161 -6.020
205 HD23 LEU 23 2HD2 LEU 23 14.931 -2.555 -4.342
206 H LYS 24 H LYS 24 15.996 1.010 -1.135
207 HA LYS 24 HA LYS 24 18.508 2.193 -1.599
208 HB2 LYS 24 2HB LYS 24 16.194 2.761 0.007
209 HB3 LYS 24 1HB LYS 24 17.645 2.962 0.986
210 HG2 LYS 24 2HG LYS 24 17.250 4.207 -1.754
211 HG3 LYS 24 1HG LYS 24 16.987 5.053 -0.235
212 HD2 LYS 24 2HD LYS 24 19.626 3.729 -0.929
213 HD3 LYS 24 1HD LYS 24 19.273 5.411 -1.319
214 HE2 LYS 24 2HE LYS 24 19.256 4.184 1.459
215 HE3 LYS 24 1HE LYS 24 20.476 5.275 0.812
216 HZ1 LYS 24 3HZ LYS 24 18.712 6.949 0.525
217 HZ2 LYS 24 1HZ LYS 24 18.947 6.509 2.143
218 HZ3 LYS 24 2HZ LYS 24 17.615 5.903 1.288
219 H LYS 25 H LYS 25 17.325 0.405 1.212
220 HA LYS 25 HA LYS 25 19.594 -1.188 1.582
221 HB2 LYS 25 2HB LYS 25 20.583 -0.070 3.601
222 HB3 LYS 25 1HB LYS 25 20.873 0.792 2.097
223 HG2 LYS 25 2HG LYS 25 19.594 2.572 2.708
224 HG3 LYS 25 1HG LYS 25 18.384 1.573 3.501
225 HD2 LYS 25 2HD LYS 25 21.084 2.387 4.616
226 HD3 LYS 25 1HD LYS 25 19.506 2.943 5.165
227 HE2 LYS 25 2HE LYS 25 20.715 0.182 5.464
228 HE3 LYS 25 1HE LYS 25 20.156 1.271 6.726
229 HZ1 LYS 25 3HZ LYS 25 18.177 0.436 4.744
230 HZ2 LYS 25 1HZ LYS 25 18.007 0.704 6.410
231 HZ3 LYS 25 2HZ LYS 25 18.701 -0.745 5.852
232 H ALA 26 H ALA 26 18.935 -2.819 2.850
233 HA ALA 26 HA ALA 26 16.478 -2.497 4.388
234 HB1 ALA 26 1HB ALA 26 16.593 -4.936 4.651
235 HB2 ALA 26 2HB ALA 26 18.187 -4.950 3.895
236 HB3 ALA 26 3HB ALA 26 16.768 -4.483 2.954
Start of MODEL 4
1 H1 LYS 1 1HT LYS 1 19.981 17.043 -6.924
2 H2 LYS 1 2HT LYS 1 20.804 17.901 -5.713
3 H3 LYS 1 3HT LYS 1 19.296 18.445 -6.268
4 HA LYS 1 HA LYS 1 19.646 16.983 -4.057
5 HB2 LYS 1 2HB LYS 1 17.264 17.022 -5.939
6 HB3 LYS 1 1HB LYS 1 17.204 16.485 -4.261
7 HG2 LYS 1 2HG LYS 1 18.180 19.244 -5.066
8 HG3 LYS 1 1HG LYS 1 16.498 18.907 -4.657
9 HD2 LYS 1 2HD LYS 1 17.340 17.949 -2.455
10 HD3 LYS 1 1HD LYS 1 18.924 18.609 -2.872
11 HE2 LYS 1 2HE LYS 1 17.920 20.300 -1.561
12 HE3 LYS 1 1HE LYS 1 17.698 20.850 -3.220
13 HZ1 LYS 1 2HZ LYS 1 15.732 19.765 -1.339
14 HZ2 LYS 1 3HZ LYS 1 15.503 19.482 -2.995
15 HZ3 LYS 1 1HZ LYS 1 15.596 21.069 -2.419
16 H LYS 2 H LYS 2 19.876 14.879 -3.486
17 HA LYS 2 HA LYS 2 20.185 12.911 -5.633
18 HB2 LYS 2 2HB LYS 2 20.700 12.633 -2.657
19 HB3 LYS 2 1HB LYS 2 21.195 11.506 -3.920
20 HG2 LYS 2 2HG LYS 2 22.566 13.350 -4.948
21 HG3 LYS 2 1HG LYS 2 22.155 14.361 -3.560
22 HD2 LYS 2 2HD LYS 2 24.140 13.469 -2.783
23 HD3 LYS 2 1HD LYS 2 23.033 12.225 -2.213
24 HE2 LYS 2 2HE LYS 2 24.999 11.256 -3.398
25 HE3 LYS 2 1HE LYS 2 23.477 10.866 -4.197
26 HZ1 LYS 2 3HZ LYS 2 24.993 13.262 -4.992
27 HZ2 LYS 2 1HZ LYS 2 23.874 12.357 -5.892
28 HZ3 LYS 2 2HZ LYS 2 25.426 11.737 -5.600
29 H ALA 3 H ALA 3 18.272 13.478 -2.703
30 HA ALA 3 HA ALA 3 16.828 11.022 -2.861
31 HB1 ALA 3 1HB ALA 3 15.726 11.733 -0.967
32 HB2 ALA 3 2HB ALA 3 15.666 13.412 -1.497
33 HB3 ALA 3 3HB ALA 3 17.170 12.743 -0.873
34 H LEU 4 H LEU 4 16.427 11.309 -5.262
35 HA LEU 4 HA LEU 4 13.954 12.877 -5.716
36 HB2 LEU 4 2HB LEU 4 16.244 12.144 -7.523
37 HB3 LEU 4 1HB LEU 4 14.659 12.534 -8.193
38 HG LEU 4 HG LEU 4 15.981 14.366 -6.194
39 HD11 LEU 4 1HD1 LEU 4 16.904 15.642 -8.082
40 HD12 LEU 4 2HD1 LEU 4 16.320 14.414 -9.208
41 HD13 LEU 4 3HD1 LEU 4 17.582 14.014 -8.040
42 HD21 LEU 4 3HD2 LEU 4 13.608 14.715 -6.702
43 HD22 LEU 4 1HD2 LEU 4 13.971 14.757 -8.429
44 HD23 LEU 4 2HD2 LEU 4 14.575 16.033 -7.368
45 H LEU 5 H LEU 5 15.344 10.348 -7.676
46 HA LEU 5 HA LEU 5 13.008 9.023 -8.306
47 HB2 LEU 5 2HB LEU 5 14.676 6.965 -8.474
48 HB3 LEU 5 1HB LEU 5 14.747 8.296 -9.622
49 HG LEU 5 HG LEU 5 16.317 8.741 -7.158
50 HD11 LEU 5 1HD1 LEU 5 18.184 7.259 -8.102
51 HD12 LEU 5 2HD1 LEU 5 16.922 6.452 -9.031
52 HD13 LEU 5 3HD1 LEU 5 16.864 6.440 -7.269
53 HD21 LEU 5 3HD2 LEU 5 16.806 10.321 -8.771
54 HD22 LEU 5 1HD2 LEU 5 16.508 9.206 -10.103
55 HD23 LEU 5 2HD2 LEU 5 18.019 9.115 -9.198
56 H ALA 6 H ALA 6 15.289 8.269 -5.730
57 HA ALA 6 HA ALA 6 14.169 6.011 -4.649
58 HB1 ALA 6 1HB ALA 6 15.275 8.315 -3.036
59 HB2 ALA 6 2HB ALA 6 16.263 7.094 -3.842
60 HB3 ALA 6 3HB ALA 6 15.180 6.627 -2.534
61 H LEU 7 H LEU 7 13.256 9.346 -4.061
62 HA LEU 7 HA LEU 7 11.212 8.825 -2.162
63 HB2 LEU 7 2HB LEU 7 12.030 11.121 -3.862
64 HB3 LEU 7 1HB LEU 7 10.374 11.130 -3.262
65 HG LEU 7 HG LEU 7 11.163 10.895 -0.966
66 HD11 LEU 7 1HD1 LEU 7 13.883 10.764 -2.291
67 HD12 LEU 7 2HD1 LEU 7 13.145 9.573 -1.222
68 HD13 LEU 7 3HD1 LEU 7 13.671 11.125 -0.579
69 HD21 LEU 7 3HD2 LEU 7 12.424 13.073 -2.640
70 HD22 LEU 7 1HD2 LEU 7 12.519 13.066 -0.879
71 HD23 LEU 7 2HD2 LEU 7 10.948 13.148 -1.675
72 H ALA 8 H ALA 8 10.980 9.812 -5.526
73 HA ALA 8 HA ALA 8 8.316 9.463 -6.043
74 HB1 ALA 8 1HB ALA 8 8.952 9.760 -8.194
75 HB2 ALA 8 2HB ALA 8 9.933 8.294 -8.169
76 HB3 ALA 8 3HB ALA 8 10.607 9.813 -7.587
77 H LEU 9 H LEU 9 10.842 7.063 -6.355
78 HA LEU 9 HA LEU 9 9.251 4.827 -6.957
79 HB2 LEU 9 2HB LEU 9 11.676 4.781 -7.229
80 HB3 LEU 9 1HB LEU 9 11.897 4.973 -5.490
81 HG LEU 9 HG LEU 9 10.460 2.809 -5.294
82 HD11 LEU 9 1HD1 LEU 9 11.532 2.325 -8.067
83 HD12 LEU 9 2HD1 LEU 9 9.920 2.993 -7.821
84 HD13 LEU 9 3HD1 LEU 9 10.321 1.401 -7.179
85 HD21 LEU 9 3HD2 LEU 9 13.016 3.138 -4.989
86 HD22 LEU 9 1HD2 LEU 9 13.155 2.402 -6.584
87 HD23 LEU 9 2HD2 LEU 9 12.420 1.500 -5.255
88 H HIS 10 H HIS 10 10.771 5.544 -3.850
89 HA HIS 10 HA HIS 10 9.456 3.701 -2.272
90 HB2 HIS 10 2HB HIS 10 11.324 5.087 -1.476
91 HB3 HIS 10 1HB HIS 10 10.281 6.507 -1.501
92 HD1 HIS 10 1HD HIS 10 10.784 3.239 0.333
93 HD2 HIS 10 2HD HIS 10 8.486 6.705 0.660
94 HE1 HIS 10 1HE HIS 10 9.697 3.166 2.619
95 HE2 HIS 10 2HE HIS 10 8.289 5.269 2.831
96 H HIS 11 H HIS 11 8.312 6.792 -3.435
97 HA HIS 11 HA HIS 11 5.851 6.535 -1.862
98 HB2 HIS 11 2HB HIS 11 6.918 8.763 -3.596
99 HB3 HIS 11 1HB HIS 11 5.328 8.794 -2.828
100 HD1 HIS 11 1HD HIS 11 5.602 8.028 -0.066
101 HD2 HIS 11 2HD HIS 11 8.737 10.026 -1.967
102 HE1 HIS 11 1HE HIS 11 7.044 9.020 1.775
103 HE2 HIS 11 2HE HIS 11 8.961 10.254 0.629
104 H LEU 12 H LEU 12 6.683 4.973 -4.480
105 HA LEU 12 HA LEU 12 4.712 5.701 -6.419
106 HB2 LEU 12 2HB LEU 12 6.610 3.486 -6.043
107 HB3 LEU 12 1HB LEU 12 5.104 3.004 -6.817
108 HG LEU 12 HG LEU 12 6.838 5.326 -7.712
109 HD11 LEU 12 1HD1 LEU 12 6.435 2.740 -9.208
110 HD12 LEU 12 2HD1 LEU 12 7.716 2.902 -8.005
111 HD13 LEU 12 3HD1 LEU 12 7.695 3.958 -9.417
112 HD21 LEU 12 3HD2 LEU 12 5.149 4.482 -9.782
113 HD22 LEU 12 1HD2 LEU 12 4.961 5.940 -8.816
114 HD23 LEU 12 2HD2 LEU 12 4.124 4.460 -8.345
115 H ALA 13 H ALA 13 4.893 2.949 -4.217
116 HA ALA 13 HA ALA 13 2.139 3.216 -3.414
117 HB1 ALA 13 1HB ALA 13 1.761 0.714 -4.164
118 HB2 ALA 13 2HB ALA 13 2.965 1.116 -5.387
119 HB3 ALA 13 3HB ALA 13 1.460 2.033 -5.295
120 H HIS 14 H HIS 14 1.589 1.674 -1.725
121 HA HIS 14 HA HIS 14 3.620 1.272 0.143
122 HB2 HIS 14 2HB HIS 14 1.963 0.473 1.462
123 HB3 HIS 14 1HB HIS 14 0.914 1.012 0.157
124 HD1 HIS 14 1HD HIS 14 2.647 -2.119 1.421
125 HD2 HIS 14 2HD HIS 14 -0.404 -1.021 -1.200
126 HE1 HIS 14 1HE HIS 14 1.526 -4.270 0.685
127 HE2 HIS 14 2HE HIS 14 -0.336 -3.616 -0.919
128 H LEU 15 H LEU 15 2.504 -0.698 -2.464
129 HA LEU 15 HA LEU 15 3.777 -3.150 -1.775
130 HB2 LEU 15 2HB LEU 15 2.682 -1.920 -4.288
131 HB3 LEU 15 1HB LEU 15 3.653 -3.388 -4.395
132 HG LEU 15 HG LEU 15 1.244 -3.115 -2.573
133 HD11 LEU 15 1HD1 LEU 15 -0.040 -4.297 -4.243
134 HD12 LEU 15 2HD1 LEU 15 1.387 -4.517 -5.254
135 HD13 LEU 15 3HD1 LEU 15 0.705 -2.907 -5.040
136 HD21 LEU 15 3HD2 LEU 15 1.530 -5.751 -3.066
137 HD22 LEU 15 1HD2 LEU 15 2.354 -4.948 -1.733
138 HD23 LEU 15 2HD2 LEU 15 3.211 -5.255 -3.244
139 H ALA 16 H ALA 16 4.915 -0.148 -2.629
140 HA ALA 16 HA ALA 16 7.444 -1.259 -3.644
141 HB1 ALA 16 1HB ALA 16 6.791 1.629 -3.982
142 HB2 ALA 16 2HB ALA 16 5.936 0.461 -4.994
143 HB3 ALA 16 3HB ALA 16 7.697 0.548 -5.043
144 H LEU 17 H LEU 17 6.002 1.084 -1.488
145 HA LEU 17 HA LEU 17 8.045 2.483 -0.450
146 HB2 LEU 17 2HB LEU 17 6.688 2.929 1.325
147 HB3 LEU 17 1HB LEU 17 5.507 2.143 0.290
148 HG LEU 17 HG LEU 17 6.243 -0.053 1.511
149 HD11 LEU 17 1HD1 LEU 17 7.507 0.111 3.409
150 HD12 LEU 17 2HD1 LEU 17 6.757 1.631 3.886
151 HD13 LEU 17 3HD1 LEU 17 8.060 1.628 2.700
152 HD21 LEU 17 3HD2 LEU 17 4.114 0.338 2.168
153 HD22 LEU 17 1HD2 LEU 17 4.366 2.085 2.218
154 HD23 LEU 17 2HD2 LEU 17 4.807 1.088 3.603
155 H HIS 18 H HIS 18 7.240 -0.792 0.425
156 HA HIS 18 HA HIS 18 9.430 -1.133 2.252
157 HB2 HIS 18 2HB HIS 18 8.703 -3.400 2.425
158 HB3 HIS 18 1HB HIS 18 7.260 -2.412 2.244
159 HD1 HIS 18 1HD HIS 18 9.046 -5.209 0.701
160 HD2 HIS 18 2HD HIS 18 6.230 -2.380 -0.510
161 HE1 HIS 18 1HE HIS 18 8.028 -6.082 -1.448
162 HE2 HIS 18 2HE HIS 18 6.308 -4.371 -2.201
163 H LEU 19 H LEU 19 8.717 -2.245 -0.996
164 HA LEU 19 HA LEU 19 11.124 -3.604 -1.489
165 HB2 LEU 19 2HB LEU 19 8.936 -3.454 -2.924
166 HB3 LEU 19 1HB LEU 19 9.709 -2.051 -3.651
167 HG LEU 19 HG LEU 19 10.041 -4.392 -4.763
168 HD11 LEU 19 1HD1 LEU 19 12.708 -3.581 -4.762
169 HD12 LEU 19 2HD1 LEU 19 11.810 -2.104 -4.426
170 HD13 LEU 19 3HD1 LEU 19 11.454 -3.040 -5.874
171 HD21 LEU 19 3HD2 LEU 19 11.675 -5.824 -3.868
172 HD22 LEU 19 1HD2 LEU 19 10.763 -5.333 -2.442
173 HD23 LEU 19 2HD2 LEU 19 12.317 -4.579 -2.797
174 H ALA 20 H ALA 20 10.259 -0.276 -1.437
175 HA ALA 20 HA ALA 20 12.591 0.739 -2.772
176 HB1 ALA 20 1HB ALA 20 10.335 1.895 -1.221
177 HB2 ALA 20 2HB ALA 20 10.974 2.361 -2.794
178 HB3 ALA 20 3HB ALA 20 11.812 2.850 -1.323
179 H LEU 21 H LEU 21 11.616 0.431 0.611
180 HA LEU 21 HA LEU 21 13.875 1.480 1.844
181 HB2 LEU 21 2HB LEU 21 12.170 -0.885 2.657
182 HB3 LEU 21 1HB LEU 21 13.383 -0.145 3.704
183 HG LEU 21 HG LEU 21 11.199 1.506 2.437
184 HD11 LEU 21 1HD1 LEU 21 10.782 -0.593 4.295
185 HD12 LEU 21 2HD1 LEU 21 9.636 0.648 3.802
186 HD13 LEU 21 3HD1 LEU 21 10.668 0.916 5.203
187 HD21 LEU 21 3HD2 LEU 21 11.756 2.586 4.869
188 HD22 LEU 21 1HD2 LEU 21 12.602 3.037 3.391
189 HD23 LEU 21 2HD2 LEU 21 13.313 1.858 4.493
190 H ALA 22 H ALA 22 13.215 -1.837 0.901
191 HA ALA 22 HA ALA 22 15.689 -2.982 1.520
192 HB1 ALA 22 1HB ALA 22 13.702 -3.689 -0.641
193 HB2 ALA 22 2HB ALA 22 13.779 -4.367 0.982
194 HB3 ALA 22 3HB ALA 22 15.062 -4.709 -0.176
195 H LEU 23 H LEU 23 14.670 -1.054 -1.175
196 HA LEU 23 HA LEU 23 16.998 -1.641 -2.801
197 HB2 LEU 23 2HB LEU 23 14.554 -0.873 -3.507
198 HB3 LEU 23 1HB LEU 23 15.249 0.733 -3.297
199 HG LEU 23 HG LEU 23 16.779 -1.311 -4.874
200 HD11 LEU 23 1HD1 LEU 23 15.602 -0.585 -6.928
201 HD12 LEU 23 2HD1 LEU 23 14.463 0.334 -5.942
202 HD13 LEU 23 3HD1 LEU 23 14.518 -1.426 -5.820
203 HD21 LEU 23 3HD2 LEU 23 16.895 1.140 -6.139
204 HD22 LEU 23 1HD2 LEU 23 18.075 0.551 -4.969
205 HD23 LEU 23 2HD2 LEU 23 16.758 1.601 -4.443
206 H LYS 24 H LYS 24 15.738 1.070 -0.961
207 HA LYS 24 HA LYS 24 17.920 2.822 -1.366
208 HB2 LYS 24 2HB LYS 24 15.444 3.072 -0.227
209 HB3 LYS 24 1HB LYS 24 16.477 3.070 1.201
210 HG2 LYS 24 2HG LYS 24 17.318 4.779 -1.110
211 HG3 LYS 24 1HG LYS 24 15.941 5.322 -0.155
212 HD2 LYS 24 2HD LYS 24 18.494 4.447 1.193
213 HD3 LYS 24 1HD LYS 24 18.317 6.090 0.577
214 HE2 LYS 24 2HE LYS 24 16.578 4.716 2.645
215 HE3 LYS 24 1HE LYS 24 17.645 6.098 2.900
216 HZ1 LYS 24 3HZ LYS 24 16.197 7.162 1.049
217 HZ2 LYS 24 1HZ LYS 24 15.606 7.103 2.638
218 HZ3 LYS 24 2HZ LYS 24 15.068 5.975 1.491
219 H LYS 25 H LYS 25 17.114 0.614 1.252
220 HA LYS 25 HA LYS 25 19.491 1.141 2.759
221 HB2 LYS 25 2HB LYS 25 17.322 0.269 3.693
222 HB3 LYS 25 1HB LYS 25 17.675 -1.270 2.914
223 HG2 LYS 25 2HG LYS 25 20.037 -0.654 4.264
224 HG3 LYS 25 1HG LYS 25 18.771 -0.147 5.379
225 HD2 LYS 25 2HD LYS 25 18.554 -2.312 5.968
226 HD3 LYS 25 1HD LYS 25 17.869 -2.602 4.372
227 HE2 LYS 25 2HE LYS 25 19.740 -4.130 4.769
228 HE3 LYS 25 1HE LYS 25 20.149 -3.000 3.482
229 HZ1 LYS 25 3HZ LYS 25 20.890 -1.815 5.883
230 HZ2 LYS 25 1HZ LYS 25 21.910 -2.393 4.654
231 HZ3 LYS 25 2HZ LYS 25 21.453 -3.413 5.940
232 H ALA 26 H ALA 26 21.370 -0.036 2.886
233 HA ALA 26 HA ALA 26 21.790 -2.062 0.766
234 HB1 ALA 26 1HB ALA 26 23.754 -0.162 2.075
235 HB2 ALA 26 2HB ALA 26 23.204 -0.120 0.401
236 HB3 ALA 26 3HB ALA 26 24.209 -1.454 0.964
Start of MODEL 5
1 H1 LYS 1 1HT LYS 1 -1.766 -0.931 -29.177
2 H2 LYS 1 2HT LYS 1 -0.760 -1.159 -27.829
3 H3 LYS 1 3HT LYS 1 -1.671 0.263 -27.986
4 HA LYS 1 HA LYS 1 -3.663 -1.407 -28.067
5 HB2 LYS 1 2HB LYS 1 -1.350 -2.929 -26.958
6 HB3 LYS 1 1HB LYS 1 -2.873 -3.065 -26.084
7 HG2 LYS 1 2HG LYS 1 -3.385 -4.672 -27.601
8 HG3 LYS 1 1HG LYS 1 -3.709 -3.325 -28.687
9 HD2 LYS 1 2HD LYS 1 -1.639 -3.513 -29.762
10 HD3 LYS 1 1HD LYS 1 -0.910 -4.409 -28.431
11 HE2 LYS 1 2HE LYS 1 -3.180 -5.489 -30.129
12 HE3 LYS 1 1HE LYS 1 -1.478 -5.821 -30.455
13 HZ1 LYS 1 2HZ LYS 1 -2.194 -6.267 -27.717
14 HZ2 LYS 1 3HZ LYS 1 -1.390 -7.292 -28.807
15 HZ3 LYS 1 1HZ LYS 1 -3.087 -7.242 -28.787
16 H LYS 2 H LYS 2 -4.602 -1.794 -25.704
17 HA LYS 2 HA LYS 2 -4.899 0.679 -24.496
18 HB2 LYS 2 2HB LYS 2 -5.119 -1.862 -22.900
19 HB3 LYS 2 1HB LYS 2 -6.114 -0.409 -22.806
20 HG2 LYS 2 2HG LYS 2 -6.362 -1.306 -25.474
21 HG3 LYS 2 1HG LYS 2 -6.472 -2.755 -24.474
22 HD2 LYS 2 2HD LYS 2 -8.091 -1.249 -23.020
23 HD3 LYS 2 1HD LYS 2 -8.256 -0.341 -24.521
24 HE2 LYS 2 2HE LYS 2 -9.081 -3.156 -23.907
25 HE3 LYS 2 1HE LYS 2 -9.963 -1.900 -24.770
26 HZ1 LYS 2 3HZ LYS 2 -7.617 -3.420 -25.766
27 HZ2 LYS 2 1HZ LYS 2 -8.353 -2.143 -26.604
28 HZ3 LYS 2 2HZ LYS 2 -9.218 -3.573 -26.300
29 H ALA 3 H ALA 3 -3.944 1.765 -22.853
30 HA ALA 3 HA ALA 3 -1.242 1.020 -22.133
31 HB1 ALA 3 1HB ALA 3 -1.465 3.329 -22.444
32 HB2 ALA 3 2HB ALA 3 -1.510 3.171 -20.687
33 HB3 ALA 3 3HB ALA 3 -3.007 3.396 -21.590
34 H LEU 4 H LEU 4 -4.121 -0.025 -21.098
35 HA LEU 4 HA LEU 4 -4.394 0.161 -18.403
36 HB2 LEU 4 2HB LEU 4 -5.964 -1.189 -19.580
37 HB3 LEU 4 1HB LEU 4 -4.695 -2.226 -20.232
38 HG LEU 4 HG LEU 4 -4.206 -3.049 -17.943
39 HD11 LEU 4 1HD1 LEU 4 -6.041 -2.510 -16.214
40 HD12 LEU 4 2HD1 LEU 4 -6.438 -1.141 -17.254
41 HD13 LEU 4 3HD1 LEU 4 -4.837 -1.264 -16.531
42 HD21 LEU 4 3HD2 LEU 4 -7.140 -3.276 -18.699
43 HD22 LEU 4 1HD2 LEU 4 -6.229 -4.401 -17.685
44 HD23 LEU 4 2HD2 LEU 4 -5.830 -4.235 -19.396
45 H LEU 5 H LEU 5 -2.121 -1.808 -20.167
46 HA LEU 5 HA LEU 5 -0.964 -3.349 -18.213
47 HB2 LEU 5 2HB LEU 5 0.236 -1.936 -20.588
48 HB3 LEU 5 1HB LEU 5 1.214 -2.957 -19.540
49 HG LEU 5 HG LEU 5 -0.169 -4.883 -20.018
50 HD11 LEU 5 1HD1 LEU 5 -2.367 -3.885 -20.180
51 HD12 LEU 5 2HD1 LEU 5 -2.028 -4.670 -21.718
52 HD13 LEU 5 3HD1 LEU 5 -1.877 -2.921 -21.571
53 HD21 LEU 5 3HD2 LEU 5 0.209 -3.547 -22.686
54 HD22 LEU 5 1HD2 LEU 5 0.490 -5.228 -22.243
55 HD23 LEU 5 2HD2 LEU 5 1.601 -3.975 -21.688
56 H ALA 6 H ALA 6 0.082 -0.165 -19.251
57 HA ALA 6 HA ALA 6 2.011 0.310 -17.286
58 HB1 ALA 6 1HB ALA 6 1.785 2.677 -17.831
59 HB2 ALA 6 2HB ALA 6 0.232 2.367 -18.608
60 HB3 ALA 6 3HB ALA 6 1.712 1.716 -19.310
61 H LEU 7 H LEU 7 -1.450 0.911 -17.262
62 HA LEU 7 HA LEU 7 -1.541 2.274 -14.767
63 HB2 LEU 7 2HB LEU 7 -3.410 2.537 -16.220
64 HB3 LEU 7 1HB LEU 7 -3.623 0.793 -16.375
65 HG LEU 7 HG LEU 7 -4.193 0.655 -13.967
66 HD11 LEU 7 1HD1 LEU 7 -2.886 2.627 -13.229
67 HD12 LEU 7 2HD1 LEU 7 -4.561 2.730 -12.701
68 HD13 LEU 7 3HD1 LEU 7 -4.019 3.685 -14.079
69 HD21 LEU 7 3HD2 LEU 7 -6.017 0.925 -15.564
70 HD22 LEU 7 1HD2 LEU 7 -5.793 2.675 -15.570
71 HD23 LEU 7 2HD2 LEU 7 -6.376 1.863 -14.117
72 H ALA 8 H ALA 8 -2.029 -1.066 -15.722
73 HA ALA 8 HA ALA 8 -2.620 -2.087 -13.131
74 HB1 ALA 8 1HB ALA 8 -2.427 -4.250 -14.138
75 HB2 ALA 8 2HB ALA 8 -1.429 -3.615 -15.448
76 HB3 ALA 8 3HB ALA 8 -3.141 -3.193 -15.356
77 H LEU 9 H LEU 9 0.245 -2.294 -15.161
78 HA LEU 9 HA LEU 9 1.969 -3.614 -13.439
79 HB2 LEU 9 2HB LEU 9 2.290 -1.817 -15.759
80 HB3 LEU 9 1HB LEU 9 3.693 -1.943 -14.703
81 HG LEU 9 HG LEU 9 2.234 -4.396 -15.693
82 HD11 LEU 9 1HD1 LEU 9 2.906 -3.454 -17.736
83 HD12 LEU 9 2HD1 LEU 9 4.296 -4.453 -17.301
84 HD13 LEU 9 3HD1 LEU 9 4.340 -2.710 -17.028
85 HD21 LEU 9 3HD2 LEU 9 4.548 -5.358 -15.260
86 HD22 LEU 9 1HD2 LEU 9 3.698 -4.795 -13.816
87 HD23 LEU 9 2HD2 LEU 9 4.972 -3.807 -14.531
88 H HIS 10 H HIS 10 2.179 -0.155 -14.033
89 HA HIS 10 HA HIS 10 3.535 0.265 -11.502
90 HB2 HIS 10 2HB HIS 10 4.164 1.394 -13.684
91 HB3 HIS 10 1HB HIS 10 2.690 2.348 -13.524
92 HD1 HIS 10 1HD HIS 10 5.669 1.457 -11.297
93 HD2 HIS 10 2HD HIS 10 3.153 4.679 -12.137
94 HE1 HIS 10 1HE HIS 10 6.436 3.374 -9.824
95 HE2 HIS 10 2HE HIS 10 4.920 5.351 -10.335
96 H HIS 11 H HIS 11 2.850 2.501 -10.455
97 HA HIS 11 HA HIS 11 1.335 3.754 -9.294
98 HB2 HIS 11 2HB HIS 11 -0.901 2.329 -10.722
99 HB3 HIS 11 1HB HIS 11 -0.923 3.925 -9.977
100 HD1 HIS 11 1HD HIS 11 0.585 5.797 -11.186
101 HD2 HIS 11 2HD HIS 11 -0.074 2.307 -13.380
102 HE1 HIS 11 1HE HIS 11 1.208 6.328 -13.590
103 HE2 HIS 11 2HE HIS 11 0.778 4.216 -14.950
104 H LEU 12 H LEU 12 1.487 0.391 -9.245
105 HA LEU 12 HA LEU 12 -0.522 -0.358 -7.490
106 HB2 LEU 12 2HB LEU 12 1.201 -2.057 -6.608
107 HB3 LEU 12 1HB LEU 12 0.765 -2.138 -8.310
108 HG LEU 12 HG LEU 12 2.838 -0.469 -8.555
109 HD11 LEU 12 1HD1 LEU 12 4.310 -2.019 -6.634
110 HD12 LEU 12 2HD1 LEU 12 2.969 -1.226 -5.808
111 HD13 LEU 12 3HD1 LEU 12 4.129 -0.266 -6.723
112 HD21 LEU 12 3HD2 LEU 12 2.476 -2.826 -9.489
113 HD22 LEU 12 1HD2 LEU 12 3.337 -3.414 -8.069
114 HD23 LEU 12 2HD2 LEU 12 4.152 -2.348 -9.217
115 H ALA 13 H ALA 13 2.678 0.865 -6.726
116 HA ALA 13 HA ALA 13 3.583 1.765 -4.803
117 HB1 ALA 13 1HB ALA 13 2.493 3.635 -4.127
118 HB2 ALA 13 2HB ALA 13 0.991 2.770 -3.814
119 HB3 ALA 13 3HB ALA 13 1.401 3.255 -5.457
120 H HIS 14 H HIS 14 3.104 1.996 -2.329
121 HA HIS 14 HA HIS 14 2.709 1.023 -0.284
122 HB2 HIS 14 2HB HIS 14 0.886 -0.931 -1.684
123 HB3 HIS 14 1HB HIS 14 0.837 -0.396 -0.015
124 HD1 HIS 14 1HD HIS 14 -0.379 0.427 -3.392
125 HD2 HIS 14 2HD HIS 14 -0.036 2.405 0.266
126 HE1 HIS 14 1HE HIS 14 -1.853 2.487 -3.545
127 HE2 HIS 14 2HE HIS 14 -1.651 3.713 -1.317
128 H LEU 15 H LEU 15 2.762 -1.149 -2.943
129 HA LEU 15 HA LEU 15 4.159 -3.292 -1.597
130 HB2 LEU 15 2HB LEU 15 3.695 -2.730 -4.537
131 HB3 LEU 15 1HB LEU 15 4.368 -4.224 -3.885
132 HG LEU 15 HG LEU 15 1.595 -3.107 -3.341
133 HD11 LEU 15 1HD1 LEU 15 0.784 -4.906 -4.630
134 HD12 LEU 15 2HD1 LEU 15 2.311 -5.783 -4.530
135 HD13 LEU 15 3HD1 LEU 15 2.185 -4.346 -5.546
136 HD21 LEU 15 3HD2 LEU 15 1.528 -5.571 -2.263
137 HD22 LEU 15 1HD2 LEU 15 1.992 -4.156 -1.321
138 HD23 LEU 15 2HD2 LEU 15 3.233 -5.213 -1.992
139 H ALA 16 H ALA 16 4.980 -0.324 -2.907
140 HA ALA 16 HA ALA 16 7.733 -1.096 -3.524
141 HB1 ALA 16 1HB ALA 16 6.376 1.583 -3.863
142 HB2 ALA 16 2HB ALA 16 6.518 0.360 -5.124
143 HB3 ALA 16 3HB ALA 16 7.964 1.129 -4.474
144 H LEU 17 H LEU 17 5.869 0.886 -1.328
145 HA LEU 17 HA LEU 17 7.589 2.486 -0.049
146 HB2 LEU 17 2HB LEU 17 5.701 2.686 1.138
147 HB3 LEU 17 1HB LEU 17 5.164 1.077 0.681
148 HG LEU 17 HG LEU 17 7.338 1.201 2.716
149 HD11 LEU 17 1HD1 LEU 17 5.990 2.998 3.559
150 HD12 LEU 17 2HD1 LEU 17 5.585 1.567 4.504
151 HD13 LEU 17 3HD1 LEU 17 4.501 2.116 3.226
152 HD21 LEU 17 3HD2 LEU 17 4.870 -0.320 3.209
153 HD22 LEU 17 1HD2 LEU 17 6.543 -0.868 3.214
154 HD23 LEU 17 2HD2 LEU 17 5.661 -0.743 1.690
155 H HIS 18 H HIS 18 7.217 -0.912 0.709
156 HA HIS 18 HA HIS 18 9.458 -0.971 2.510
157 HB2 HIS 18 2HB HIS 18 9.016 -3.286 2.723
158 HB3 HIS 18 1HB HIS 18 7.456 -2.519 2.477
159 HD1 HIS 18 1HD HIS 18 9.802 -4.918 0.940
160 HD2 HIS 18 2HD HIS 18 6.320 -2.877 -0.105
161 HE1 HIS 18 1HE HIS 18 8.935 -6.021 -1.173
162 HE2 HIS 18 2HE HIS 18 6.806 -4.786 -1.830
163 H LEU 19 H LEU 19 8.872 -2.051 -0.765
164 HA LEU 19 HA LEU 19 11.390 -3.126 -1.339
165 HB2 LEU 19 2HB LEU 19 9.653 -3.472 -2.936
166 HB3 LEU 19 1HB LEU 19 9.347 -1.747 -3.072
167 HG LEU 19 HG LEU 19 12.107 -2.638 -3.722
168 HD11 LEU 19 1HD1 LEU 19 11.101 -3.051 -6.140
169 HD12 LEU 19 2HD1 LEU 19 9.662 -3.505 -5.227
170 HD13 LEU 19 3HD1 LEU 19 11.181 -4.362 -4.964
171 HD21 LEU 19 3HD2 LEU 19 12.119 -0.576 -4.636
172 HD22 LEU 19 1HD2 LEU 19 10.458 -0.349 -4.087
173 HD23 LEU 19 2HD2 LEU 19 10.773 -0.999 -5.695
174 H ALA 20 H ALA 20 10.222 0.105 -1.057
175 HA ALA 20 HA ALA 20 12.342 1.479 -2.340
176 HB1 ALA 20 1HB ALA 20 11.500 3.438 -1.350
177 HB2 ALA 20 2HB ALA 20 10.933 2.583 0.080
178 HB3 ALA 20 3HB ALA 20 10.070 2.410 -1.448
179 H LEU 21 H LEU 21 11.743 0.611 1.017
180 HA LEU 21 HA LEU 21 14.253 1.491 2.025
181 HB2 LEU 21 2HB LEU 21 12.095 -0.341 3.012
182 HB3 LEU 21 1HB LEU 21 13.664 -0.372 3.815
183 HG LEU 21 HG LEU 21 13.523 2.070 4.191
184 HD11 LEU 21 1HD1 LEU 21 11.314 3.172 3.735
185 HD12 LEU 21 2HD1 LEU 21 10.820 1.727 2.857
186 HD13 LEU 21 3HD1 LEU 21 12.167 2.696 2.266
187 HD21 LEU 21 3HD2 LEU 21 12.489 0.307 5.765
188 HD22 LEU 21 1HD2 LEU 21 10.931 0.801 5.101
189 HD23 LEU 21 2HD2 LEU 21 11.935 1.971 5.961
190 H ALA 22 H ALA 22 13.036 -1.490 0.695
191 HA ALA 22 HA ALA 22 15.285 -3.133 1.185
192 HB1 ALA 22 1HB ALA 22 14.158 -4.726 -0.001
193 HB2 ALA 22 2HB ALA 22 13.745 -3.609 -1.304
194 HB3 ALA 22 3HB ALA 22 12.816 -3.604 0.197
195 H LEU 23 H LEU 23 14.343 -1.276 -1.672
196 HA LEU 23 HA LEU 23 16.594 -1.891 -3.256
197 HB2 LEU 23 2HB LEU 23 14.324 -0.114 -3.398
198 HB3 LEU 23 1HB LEU 23 15.780 0.720 -3.941
199 HG LEU 23 HG LEU 23 16.254 -1.263 -5.425
200 HD11 LEU 23 1HD1 LEU 23 14.960 -3.117 -5.358
201 HD12 LEU 23 2HD1 LEU 23 13.482 -2.165 -5.463
202 HD13 LEU 23 3HD1 LEU 23 14.235 -2.452 -3.897
203 HD21 LEU 23 3HD2 LEU 23 14.630 -0.612 -7.116
204 HD22 LEU 23 1HD2 LEU 23 15.161 0.819 -6.239
205 HD23 LEU 23 2HD2 LEU 23 13.590 0.100 -5.888
206 H LYS 24 H LYS 24 15.881 1.073 -1.491
207 HA LYS 24 HA LYS 24 18.472 2.192 -1.743
208 HB2 LYS 24 2HB LYS 24 16.203 3.298 -1.103
209 HB3 LYS 24 1HB LYS 24 16.623 2.815 0.543
210 HG2 LYS 24 2HG LYS 24 18.984 3.934 -0.417
211 HG3 LYS 24 1HG LYS 24 17.734 4.971 -1.105
212 HD2 LYS 24 2HD LYS 24 18.138 5.956 0.983
213 HD3 LYS 24 1HD LYS 24 16.718 4.957 1.288
214 HE2 LYS 24 2HE LYS 24 19.168 3.427 1.646
215 HE3 LYS 24 1HE LYS 24 19.166 4.861 2.666
216 HZ1 LYS 24 3HZ LYS 24 17.855 2.498 3.144
217 HZ2 LYS 24 1HZ LYS 24 16.627 3.582 2.688
218 HZ3 LYS 24 2HZ LYS 24 17.653 3.963 3.983
219 H LYS 25 H LYS 25 17.081 -0.130 0.360
220 HA LYS 25 HA LYS 25 18.102 -1.601 1.818
221 HB2 LYS 25 2HB LYS 25 20.273 -1.028 0.544
222 HB3 LYS 25 1HB LYS 25 20.576 0.127 1.839
223 HG2 LYS 25 2HG LYS 25 19.807 -2.633 2.662
224 HG3 LYS 25 1HG LYS 25 21.415 -2.429 1.971
225 HD2 LYS 25 2HD LYS 25 22.032 -0.828 3.633
226 HD3 LYS 25 1HD LYS 25 20.370 -0.670 4.197
227 HE2 LYS 25 2HE LYS 25 21.854 -3.300 4.316
228 HE3 LYS 25 1HE LYS 25 21.919 -2.133 5.634
229 HZ1 LYS 25 3HZ LYS 25 19.386 -3.190 4.511
230 HZ2 LYS 25 1HZ LYS 25 19.578 -2.270 5.930
231 HZ3 LYS 25 2HZ LYS 25 20.170 -3.866 5.850
232 H ALA 26 H ALA 26 17.719 -1.628 3.947
233 HA ALA 26 HA ALA 26 18.170 0.756 5.572
234 HB1 ALA 26 1HB ALA 26 15.842 0.938 4.582
235 HB2 ALA 26 2HB ALA 26 15.902 0.927 6.342
236 HB3 ALA 26 3HB ALA 26 15.432 -0.530 5.470
Start of MODEL 6
1 H1 LYS 1 1HT LYS 1 10.106 0.844 15.946
2 H2 LYS 1 2HT LYS 1 9.364 1.014 14.432
3 H3 LYS 1 3HT LYS 1 9.338 -0.484 15.227
4 HA LYS 1 HA LYS 1 7.993 0.482 17.010
5 HB2 LYS 1 2HB LYS 1 8.061 2.891 15.165
6 HB3 LYS 1 1HB LYS 1 6.934 2.704 16.507
7 HG2 LYS 1 2HG LYS 1 9.736 2.220 17.260
8 HG3 LYS 1 1HG LYS 1 9.436 3.863 16.693
9 HD2 LYS 1 2HD LYS 1 7.344 3.723 18.286
10 HD3 LYS 1 1HD LYS 1 8.258 2.425 19.053
11 HE2 LYS 1 2HE LYS 1 9.174 5.289 18.643
12 HE3 LYS 1 1HE LYS 1 8.790 4.515 20.177
13 HZ1 LYS 1 2HZ LYS 1 10.941 4.033 20.262
14 HZ2 LYS 1 3HZ LYS 1 11.196 4.394 18.620
15 HZ3 LYS 1 1HZ LYS 1 10.637 2.859 19.077
16 H LYS 2 H LYS 2 7.580 -1.492 15.367
17 HA LYS 2 HA LYS 2 5.999 -2.659 14.183
18 HB2 LYS 2 2HB LYS 2 4.215 -2.103 15.548
19 HB3 LYS 2 1HB LYS 2 4.410 -0.369 15.284
20 HG2 LYS 2 2HG LYS 2 3.594 -0.674 12.939
21 HG3 LYS 2 1HG LYS 2 3.322 -2.380 13.292
22 HD2 LYS 2 2HD LYS 2 1.566 -1.919 14.780
23 HD3 LYS 2 1HD LYS 2 2.067 -0.242 15.004
24 HE2 LYS 2 2HE LYS 2 0.021 -0.885 13.396
25 HE3 LYS 2 1HE LYS 2 1.096 0.461 13.022
26 HZ1 LYS 2 3HZ LYS 2 0.588 -1.463 11.296
27 HZ2 LYS 2 1HZ LYS 2 1.901 -2.187 12.083
28 HZ3 LYS 2 2HZ LYS 2 2.088 -0.667 11.337
29 H ALA 3 H ALA 3 4.726 -2.630 12.140
30 HA ALA 3 HA ALA 3 6.107 -1.187 10.105
31 HB1 ALA 3 1HB ALA 3 4.353 -2.128 8.607
32 HB2 ALA 3 2HB ALA 3 3.506 -2.744 10.028
33 HB3 ALA 3 3HB ALA 3 5.109 -3.359 9.615
34 H LEU 4 H LEU 4 5.924 1.003 10.479
35 HA LEU 4 HA LEU 4 3.338 2.209 9.858
36 HB2 LEU 4 2HB LEU 4 3.260 2.071 12.292
37 HB3 LEU 4 1HB LEU 4 4.859 2.803 12.407
38 HG LEU 4 HG LEU 4 3.945 4.839 11.238
39 HD11 LEU 4 1HD1 LEU 4 2.037 4.119 10.079
40 HD12 LEU 4 2HD1 LEU 4 1.340 4.952 11.469
41 HD13 LEU 4 3HD1 LEU 4 1.432 3.190 11.452
42 HD21 LEU 4 3HD2 LEU 4 4.157 4.835 13.665
43 HD22 LEU 4 1HD2 LEU 4 2.628 3.968 13.832
44 HD23 LEU 4 2HD2 LEU 4 2.643 5.626 13.233
45 H LEU 5 H LEU 5 6.486 3.167 11.151
46 HA LEU 5 HA LEU 5 6.799 5.584 9.890
47 HB2 LEU 5 2HB LEU 5 9.259 3.957 9.856
48 HB3 LEU 5 1HB LEU 5 8.956 5.529 10.589
49 HG LEU 5 HG LEU 5 8.054 2.858 11.712
50 HD11 LEU 5 1HD1 LEU 5 10.206 4.793 12.611
51 HD12 LEU 5 2HD1 LEU 5 10.472 3.208 11.890
52 HD13 LEU 5 3HD1 LEU 5 9.714 3.337 13.472
53 HD21 LEU 5 3HD2 LEU 5 7.023 4.002 13.446
54 HD22 LEU 5 1HD2 LEU 5 6.722 5.135 12.130
55 HD23 LEU 5 2HD2 LEU 5 8.046 5.424 13.257
56 H ALA 6 H ALA 6 7.506 2.395 8.617
57 HA ALA 6 HA ALA 6 8.595 3.128 6.152
58 HB1 ALA 6 1HB ALA 6 8.238 0.769 7.270
59 HB2 ALA 6 2HB ALA 6 8.297 0.914 5.515
60 HB3 ALA 6 3HB ALA 6 6.742 0.785 6.336
61 H LEU 7 H LEU 7 5.250 2.588 7.099
62 HA LEU 7 HA LEU 7 4.115 3.186 4.552
63 HB2 LEU 7 2HB LEU 7 2.550 3.722 7.033
64 HB3 LEU 7 1HB LEU 7 2.055 2.899 5.554
65 HG LEU 7 HG LEU 7 3.913 1.767 7.672
66 HD11 LEU 7 1HD1 LEU 7 2.056 0.184 8.075
67 HD12 LEU 7 2HD1 LEU 7 1.066 1.063 6.910
68 HD13 LEU 7 3HD1 LEU 7 1.572 1.847 8.404
69 HD21 LEU 7 3HD2 LEU 7 3.465 -0.359 6.270
70 HD22 LEU 7 1HD2 LEU 7 4.590 0.821 5.598
71 HD23 LEU 7 2HD2 LEU 7 2.933 0.744 5.004
72 H ALA 8 H ALA 8 4.656 4.968 7.507
73 HA ALA 8 HA ALA 8 3.528 7.440 6.830
74 HB1 ALA 8 1HB ALA 8 6.049 7.034 8.446
75 HB2 ALA 8 2HB ALA 8 4.427 6.767 9.088
76 HB3 ALA 8 3HB ALA 8 4.914 8.378 8.561
77 H LEU 9 H LEU 9 6.833 6.323 6.541
78 HA LEU 9 HA LEU 9 7.994 8.513 5.328
79 HB2 LEU 9 2HB LEU 9 9.319 6.615 6.098
80 HB3 LEU 9 1HB LEU 9 8.602 5.588 4.856
81 HG LEU 9 HG LEU 9 9.556 7.068 3.104
82 HD11 LEU 9 1HD1 LEU 9 10.869 8.446 5.470
83 HD12 LEU 9 2HD1 LEU 9 9.647 9.157 4.413
84 HD13 LEU 9 3HD1 LEU 9 11.239 8.753 3.774
85 HD21 LEU 9 3HD2 LEU 9 11.637 6.133 5.103
86 HD22 LEU 9 1HD2 LEU 9 11.865 6.350 3.367
87 HD23 LEU 9 2HD2 LEU 9 10.800 5.075 3.962
88 H HIS 10 H HIS 10 6.810 5.642 3.583
89 HA HIS 10 HA HIS 10 6.019 7.450 1.410
90 HB2 HIS 10 2HB HIS 10 8.057 5.330 1.275
91 HB3 HIS 10 1HB HIS 10 6.894 5.353 -0.052
92 HD1 HIS 10 1HD HIS 10 9.873 6.237 -0.487
93 HD2 HIS 10 2HD HIS 10 6.724 8.874 0.346
94 HE1 HIS 10 1HE HIS 10 10.595 8.525 -1.322
95 HE2 HIS 10 2HE HIS 10 8.706 10.142 -0.799
96 H HIS 11 H HIS 11 3.951 7.259 1.833
97 HA HIS 11 HA HIS 11 2.582 4.660 1.823
98 HB2 HIS 11 2HB HIS 11 0.586 6.315 2.167
99 HB3 HIS 11 1HB HIS 11 1.735 6.116 3.495
100 HD1 HIS 11 1HD HIS 11 0.953 8.463 0.609
101 HD2 HIS 11 2HD HIS 11 3.295 8.373 4.066
102 HE1 HIS 11 1HE HIS 11 2.025 10.755 0.825
103 HE2 HIS 11 2HE HIS 11 3.452 10.721 2.923
104 H LEU 12 H LEU 12 3.921 6.044 -0.575
105 HA LEU 12 HA LEU 12 1.828 6.969 -2.263
106 HB2 LEU 12 2HB LEU 12 4.666 6.121 -2.802
107 HB3 LEU 12 1HB LEU 12 3.583 6.681 -4.074
108 HG LEU 12 HG LEU 12 3.570 8.424 -1.710
109 HD11 LEU 12 1HD1 LEU 12 5.751 9.212 -1.745
110 HD12 LEU 12 2HD1 LEU 12 6.061 8.600 -3.366
111 HD13 LEU 12 3HD1 LEU 12 6.019 7.487 -2.000
112 HD21 LEU 12 3HD2 LEU 12 3.517 10.127 -3.352
113 HD22 LEU 12 1HD2 LEU 12 2.639 8.786 -4.099
114 HD23 LEU 12 2HD2 LEU 12 4.314 9.112 -4.554
115 H ALA 13 H ALA 13 3.913 4.185 -2.813
116 HA ALA 13 HA ALA 13 1.725 2.877 -4.258
117 HB1 ALA 13 1HB ALA 13 4.275 1.445 -4.104
118 HB2 ALA 13 2HB ALA 13 4.418 3.065 -4.784
119 HB3 ALA 13 3HB ALA 13 3.317 1.895 -5.513
120 H HIS 14 H HIS 14 3.724 2.427 -1.447
121 HA HIS 14 HA HIS 14 3.450 1.158 0.459
122 HB2 HIS 14 2HB HIS 14 0.949 0.156 -0.936
123 HB3 HIS 14 1HB HIS 14 1.454 -0.293 0.681
124 HD1 HIS 14 1HD HIS 14 0.245 1.027 2.408
125 HD2 HIS 14 2HD HIS 14 0.946 3.283 -1.034
126 HE1 HIS 14 1HE HIS 14 -0.704 3.336 2.845
127 HE2 HIS 14 2HE HIS 14 -0.273 4.725 0.761
128 H LEU 15 H LEU 15 2.708 -0.338 -2.563
129 HA LEU 15 HA LEU 15 3.714 -2.952 -1.971
130 HB2 LEU 15 2HB LEU 15 2.210 -1.881 -3.991
131 HB3 LEU 15 1HB LEU 15 3.782 -2.000 -4.779
132 HG LEU 15 HG LEU 15 2.617 -4.048 -5.186
133 HD11 LEU 15 1HD1 LEU 15 4.470 -4.717 -2.903
134 HD12 LEU 15 2HD1 LEU 15 5.072 -4.125 -4.451
135 HD13 LEU 15 3HD1 LEU 15 4.176 -5.641 -4.379
136 HD21 LEU 15 3HD2 LEU 15 2.376 -4.978 -2.418
137 HD22 LEU 15 1HD2 LEU 15 1.188 -5.028 -3.724
138 HD23 LEU 15 2HD2 LEU 15 1.372 -3.570 -2.752
139 H ALA 16 H ALA 16 4.989 0.027 -2.960
140 HA ALA 16 HA ALA 16 7.598 -1.124 -3.620
141 HB1 ALA 16 1HB ALA 16 8.054 0.818 -4.785
142 HB2 ALA 16 2HB ALA 16 7.049 1.812 -3.726
143 HB3 ALA 16 3HB ALA 16 6.297 0.769 -4.939
144 H LEU 17 H LEU 17 6.011 0.966 -1.315
145 HA LEU 17 HA LEU 17 7.877 2.284 0.051
146 HB2 LEU 17 2HB LEU 17 6.440 2.327 1.829
147 HB3 LEU 17 1HB LEU 17 5.356 1.659 0.621
148 HG LEU 17 HG LEU 17 6.150 -0.658 1.471
149 HD11 LEU 17 1HD1 LEU 17 6.560 0.293 4.155
150 HD12 LEU 17 2HD1 LEU 17 7.763 1.030 3.099
151 HD13 LEU 17 3HD1 LEU 17 7.618 -0.724 3.182
152 HD21 LEU 17 3HD2 LEU 17 4.619 -0.309 3.590
153 HD22 LEU 17 1HD2 LEU 17 3.926 -0.148 1.978
154 HD23 LEU 17 2HD2 LEU 17 4.364 1.290 2.899
155 H HIS 18 H HIS 18 7.332 -1.140 0.364
156 HA HIS 18 HA HIS 18 9.569 -1.483 2.180
157 HB2 HIS 18 2HB HIS 18 8.918 -3.762 2.297
158 HB3 HIS 18 1HB HIS 18 7.444 -2.812 2.207
159 HD1 HIS 18 1HD HIS 18 9.377 -5.374 0.349
160 HD2 HIS 18 2HD HIS 18 6.124 -2.843 -0.344
161 HE1 HIS 18 1HE HIS 18 8.242 -6.212 -1.758
162 HE2 HIS 18 2HE HIS 18 6.265 -4.681 -2.197
163 H LEU 19 H LEU 19 8.774 -2.443 -1.094
164 HA LEU 19 HA LEU 19 11.200 -3.726 -1.742
165 HB2 LEU 19 2HB LEU 19 9.122 -3.792 -3.141
166 HB3 LEU 19 1HB LEU 19 9.428 -2.119 -3.607
167 HG LEU 19 HG LEU 19 11.752 -3.902 -3.942
168 HD11 LEU 19 1HD1 LEU 19 10.541 -4.600 -6.228
169 HD12 LEU 19 2HD1 LEU 19 9.113 -4.518 -5.195
170 HD13 LEU 19 3HD1 LEU 19 10.446 -5.597 -4.777
171 HD21 LEU 19 3HD2 LEU 19 11.498 -2.739 -6.286
172 HD22 LEU 19 1HD2 LEU 19 11.998 -1.779 -4.897
173 HD23 LEU 19 2HD2 LEU 19 10.325 -1.723 -5.452
174 H ALA 20 H ALA 20 10.261 -0.428 -1.500
175 HA ALA 20 HA ALA 20 12.541 0.690 -2.853
176 HB1 ALA 20 1HB ALA 20 10.426 1.950 -2.678
177 HB2 ALA 20 2HB ALA 20 11.759 2.836 -1.944
178 HB3 ALA 20 3HB ALA 20 10.600 1.988 -0.924
179 H LEU 21 H LEU 21 11.512 0.677 0.532
180 HA LEU 21 HA LEU 21 13.817 1.671 1.693
181 HB2 LEU 21 2HB LEU 21 11.519 0.097 2.579
182 HB3 LEU 21 1HB LEU 21 12.982 -0.284 3.487
183 HG LEU 21 HG LEU 21 11.732 1.570 4.535
184 HD11 LEU 21 1HD1 LEU 21 14.158 2.867 3.342
185 HD12 LEU 21 2HD1 LEU 21 14.364 1.409 4.314
186 HD13 LEU 21 3HD1 LEU 21 13.613 2.841 5.019
187 HD21 LEU 21 3HD2 LEU 21 11.529 2.431 1.790
188 HD22 LEU 21 1HD2 LEU 21 12.291 3.703 2.742
189 HD23 LEU 21 2HD2 LEU 21 10.710 3.080 3.207
190 H ALA 22 H ALA 22 13.042 -1.572 0.690
191 HA ALA 22 HA ALA 22 15.240 -2.940 1.726
192 HB1 ALA 22 1HB ALA 22 13.165 -3.890 0.577
193 HB2 ALA 22 2HB ALA 22 14.699 -4.691 0.240
194 HB3 ALA 22 3HB ALA 22 14.009 -3.578 -0.942
195 H LEU 23 H LEU 23 14.852 -1.431 -1.446
196 HA LEU 23 HA LEU 23 17.619 -1.934 -2.157
197 HB2 LEU 23 2HB LEU 23 15.551 -0.252 -3.578
198 HB3 LEU 23 1HB LEU 23 17.062 -0.853 -4.260
199 HG LEU 23 HG LEU 23 14.836 -2.626 -3.205
200 HD11 LEU 23 1HD1 LEU 23 15.606 -2.025 -6.074
201 HD12 LEU 23 2HD1 LEU 23 14.228 -1.297 -5.250
202 HD13 LEU 23 3HD1 LEU 23 14.268 -3.036 -5.524
203 HD21 LEU 23 3HD2 LEU 23 16.202 -4.267 -4.717
204 HD22 LEU 23 1HD2 LEU 23 16.821 -3.889 -3.108
205 HD23 LEU 23 2HD2 LEU 23 17.505 -3.092 -4.528
206 H LYS 24 H LYS 24 15.614 0.870 -1.486
207 HA LYS 24 HA LYS 24 17.555 2.850 -1.852
208 HB2 LYS 24 2HB LYS 24 15.083 3.223 -1.615
209 HB3 LYS 24 1HB LYS 24 15.277 2.982 0.121
210 HG2 LYS 24 2HG LYS 24 17.168 4.914 -1.106
211 HG3 LYS 24 1HG LYS 24 15.474 5.412 -1.096
212 HD2 LYS 24 2HD LYS 24 15.387 5.580 1.190
213 HD3 LYS 24 1HD LYS 24 16.497 4.232 1.439
214 HE2 LYS 24 2HE LYS 24 17.378 6.552 2.078
215 HE3 LYS 24 1HE LYS 24 18.409 5.603 1.003
216 HZ1 LYS 24 3HZ LYS 24 16.907 8.033 0.467
217 HZ2 LYS 24 1HZ LYS 24 16.858 6.867 -0.757
218 HZ3 LYS 24 2HZ LYS 24 18.351 7.468 -0.233
219 H LYS 25 H LYS 25 16.540 1.304 1.177
220 HA LYS 25 HA LYS 25 18.698 2.619 2.614
221 HB2 LYS 25 2HB LYS 25 16.282 1.938 3.477
222 HB3 LYS 25 1HB LYS 25 17.093 0.417 3.850
223 HG2 LYS 25 2HG LYS 25 18.765 2.619 4.664
224 HG3 LYS 25 1HG LYS 25 17.156 2.822 5.353
225 HD2 LYS 25 2HD LYS 25 17.245 0.766 6.499
226 HD3 LYS 25 1HD LYS 25 18.535 0.141 5.473
227 HE2 LYS 25 2HE LYS 25 19.811 2.286 6.504
228 HE3 LYS 25 1HE LYS 25 18.698 1.957 7.828
229 HZ1 LYS 25 3HZ LYS 25 20.280 -0.230 6.609
230 HZ2 LYS 25 1HZ LYS 25 19.583 -0.138 8.158
231 HZ3 LYS 25 2HZ LYS 25 20.960 0.784 7.805
232 H ALA 26 H ALA 26 20.079 1.281 4.075
233 HA ALA 26 HA ALA 26 21.289 -0.891 2.515
234 HB1 ALA 26 1HB ALA 26 22.667 1.071 3.334
235 HB2 ALA 26 2HB ALA 26 23.267 -0.511 3.823
236 HB3 ALA 26 3HB ALA 26 22.391 0.487 4.978
Start of MODEL 7
1 H1 LYS 1 1HT LYS 1 3.619 14.716 -24.503
2 H2 LYS 1 2HT LYS 1 4.150 13.359 -25.367
3 H3 LYS 1 3HT LYS 1 5.115 14.016 -24.136
4 HA LYS 1 HA LYS 1 2.473 13.287 -23.257
5 HB2 LYS 1 2HB LYS 1 4.416 11.192 -24.285
6 HB3 LYS 1 1HB LYS 1 3.091 10.835 -23.183
7 HG2 LYS 1 2HG LYS 1 2.605 12.249 -25.808
8 HG3 LYS 1 1HG LYS 1 2.667 10.490 -25.710
9 HD2 LYS 1 2HD LYS 1 0.797 10.396 -24.239
10 HD3 LYS 1 1HD LYS 1 0.884 12.123 -23.893
11 HE2 LYS 1 2HE LYS 1 -0.950 11.473 -25.497
12 HE3 LYS 1 1HE LYS 1 0.163 12.689 -26.117
13 HZ1 LYS 1 2HZ LYS 1 -0.150 11.065 -27.797
14 HZ2 LYS 1 3HZ LYS 1 0.145 9.787 -26.727
15 HZ3 LYS 1 1HZ LYS 1 1.410 10.823 -27.172
16 H LYS 2 H LYS 2 2.808 13.970 -21.213
17 HA LYS 2 HA LYS 2 5.403 13.934 -19.970
18 HB2 LYS 2 2HB LYS 2 2.624 14.512 -18.913
19 HB3 LYS 2 1HB LYS 2 4.084 14.631 -17.930
20 HG2 LYS 2 2HG LYS 2 4.971 16.391 -19.264
21 HG3 LYS 2 1HG LYS 2 3.812 16.103 -20.562
22 HD2 LYS 2 2HD LYS 2 2.504 17.687 -19.627
23 HD3 LYS 2 1HD LYS 2 2.223 16.563 -18.297
24 HE2 LYS 2 2HE LYS 2 3.057 18.775 -17.497
25 HE3 LYS 2 1HE LYS 2 4.152 17.452 -17.087
26 HZ1 LYS 2 3HZ LYS 2 4.513 18.966 -19.594
27 HZ2 LYS 2 1HZ LYS 2 5.655 18.080 -18.709
28 HZ3 LYS 2 2HZ LYS 2 5.121 19.577 -18.128
29 H ALA 3 H ALA 3 5.710 12.853 -17.815
30 HA ALA 3 HA ALA 3 5.195 10.045 -18.045
31 HB1 ALA 3 1HB ALA 3 7.219 11.037 -16.924
32 HB2 ALA 3 2HB ALA 3 6.382 9.833 -15.950
33 HB3 ALA 3 3HB ALA 3 6.173 11.548 -15.600
34 H LEU 4 H LEU 4 2.762 11.183 -18.191
35 HA LEU 4 HA LEU 4 1.424 11.330 -15.641
36 HB2 LEU 4 2HB LEU 4 0.871 12.145 -18.253
37 HB3 LEU 4 1HB LEU 4 -0.309 10.875 -17.928
38 HG LEU 4 HG LEU 4 0.212 13.312 -16.195
39 HD11 LEU 4 1HD1 LEU 4 -1.023 14.055 -18.062
40 HD12 LEU 4 2HD1 LEU 4 -2.263 13.715 -16.855
41 HD13 LEU 4 3HD1 LEU 4 -1.959 12.562 -18.155
42 HD21 LEU 4 3HD2 LEU 4 -0.707 12.090 -14.525
43 HD22 LEU 4 1HD2 LEU 4 -1.076 10.757 -15.622
44 HD23 LEU 4 2HD2 LEU 4 -2.212 12.096 -15.448
45 H LEU 5 H LEU 5 0.938 9.221 -18.424
46 HA LEU 5 HA LEU 5 -0.646 7.276 -17.374
47 HB2 LEU 5 2HB LEU 5 -0.035 7.127 -19.676
48 HB3 LEU 5 1HB LEU 5 1.680 7.026 -19.283
49 HG LEU 5 HG LEU 5 1.308 4.840 -18.192
50 HD11 LEU 5 1HD1 LEU 5 -0.835 4.689 -17.395
51 HD12 LEU 5 2HD1 LEU 5 -1.072 3.866 -18.932
52 HD13 LEU 5 3HD1 LEU 5 -1.526 5.559 -18.760
53 HD21 LEU 5 3HD2 LEU 5 1.940 4.695 -20.472
54 HD22 LEU 5 1HD2 LEU 5 0.348 5.207 -21.034
55 HD23 LEU 5 2HD2 LEU 5 0.560 3.608 -20.314
56 H ALA 6 H ALA 6 2.828 7.552 -17.081
57 HA ALA 6 HA ALA 6 3.501 5.233 -15.759
58 HB1 ALA 6 1HB ALA 6 5.084 6.970 -14.441
59 HB2 ALA 6 2HB ALA 6 4.570 8.000 -15.781
60 HB3 ALA 6 3HB ALA 6 5.393 6.472 -16.107
61 H LEU 7 H LEU 7 2.414 8.265 -14.320
62 HA LEU 7 HA LEU 7 2.342 7.405 -11.635
63 HB2 LEU 7 2HB LEU 7 0.292 9.342 -12.656
64 HB3 LEU 7 1HB LEU 7 1.194 9.376 -11.143
65 HG LEU 7 HG LEU 7 2.304 9.935 -13.904
66 HD11 LEU 7 1HD1 LEU 7 0.925 11.575 -12.082
67 HD12 LEU 7 2HD1 LEU 7 1.843 12.088 -13.497
68 HD13 LEU 7 3HD1 LEU 7 2.629 12.004 -11.921
69 HD21 LEU 7 3HD2 LEU 7 4.044 8.890 -12.652
70 HD22 LEU 7 1HD2 LEU 7 3.586 9.740 -11.175
71 HD23 LEU 7 2HD2 LEU 7 4.336 10.626 -12.507
72 H ALA 8 H ALA 8 -0.106 7.488 -14.126
73 HA ALA 8 HA ALA 8 -2.361 6.640 -12.841
74 HB1 ALA 8 1HB ALA 8 -1.603 5.349 -15.434
75 HB2 ALA 8 2HB ALA 8 -1.921 7.082 -15.369
76 HB3 ALA 8 3HB ALA 8 -3.182 5.936 -14.909
77 H LEU 9 H LEU 9 0.053 4.560 -14.301
78 HA LEU 9 HA LEU 9 -1.057 2.208 -12.987
79 HB2 LEU 9 2HB LEU 9 0.420 0.922 -14.320
80 HB3 LEU 9 1HB LEU 9 -0.126 2.233 -15.359
81 HG LEU 9 HG LEU 9 2.164 3.222 -14.023
82 HD11 LEU 9 1HD1 LEU 9 2.535 0.717 -13.557
83 HD12 LEU 9 2HD1 LEU 9 3.864 1.582 -14.322
84 HD13 LEU 9 3HD1 LEU 9 2.805 0.554 -15.286
85 HD21 LEU 9 3HD2 LEU 9 1.971 2.070 -16.824
86 HD22 LEU 9 1HD2 LEU 9 3.090 3.315 -16.271
87 HD23 LEU 9 2HD2 LEU 9 1.365 3.662 -16.370
88 H HIS 10 H HIS 10 0.986 4.612 -12.015
89 HA HIS 10 HA HIS 10 2.941 3.032 -10.573
90 HB2 HIS 10 2HB HIS 10 3.212 5.438 -11.504
91 HB3 HIS 10 1HB HIS 10 2.327 5.941 -10.073
92 HD1 HIS 10 1HD HIS 10 5.454 4.002 -11.039
93 HD2 HIS 10 2HD HIS 10 3.901 6.135 -7.799
94 HE1 HIS 10 1HE HIS 10 7.312 4.149 -9.317
95 HE2 HIS 10 2HE HIS 10 6.390 5.460 -7.341
96 H HIS 11 H HIS 11 2.554 5.152 -8.359
97 HA HIS 11 HA HIS 11 1.763 5.168 -6.221
98 HB2 HIS 11 2HB HIS 11 -0.751 4.436 -7.721
99 HB3 HIS 11 1HB HIS 11 -0.716 4.899 -6.018
100 HD1 HIS 11 1HD HIS 11 0.611 7.298 -5.590
101 HD2 HIS 11 2HD HIS 11 -0.899 6.625 -9.415
102 HE1 HIS 11 1HE HIS 11 0.417 9.566 -6.698
103 HE2 HIS 11 2HE HIS 11 -0.552 9.180 -9.013
104 H LEU 12 H LEU 12 3.127 2.829 -6.861
105 HA LEU 12 HA LEU 12 1.650 0.518 -5.993
106 HB2 LEU 12 2HB LEU 12 4.529 1.130 -6.557
107 HB3 LEU 12 1HB LEU 12 4.130 -0.308 -5.614
108 HG LEU 12 HG LEU 12 2.577 -1.029 -7.432
109 HD11 LEU 12 1HD1 LEU 12 1.896 0.749 -8.720
110 HD12 LEU 12 2HD1 LEU 12 3.321 0.324 -9.671
111 HD13 LEU 12 3HD1 LEU 12 3.406 1.628 -8.484
112 HD21 LEU 12 3HD2 LEU 12 5.511 -0.574 -7.870
113 HD22 LEU 12 1HD2 LEU 12 4.558 -1.253 -9.187
114 HD23 LEU 12 2HD2 LEU 12 4.642 -2.089 -7.636
115 H ALA 13 H ALA 13 3.695 2.943 -4.601
116 HA ALA 13 HA ALA 13 4.528 3.183 -2.418
117 HB1 ALA 13 1HB ALA 13 2.598 4.583 -2.449
118 HB2 ALA 13 2HB ALA 13 2.562 3.712 -0.917
119 HB3 ALA 13 3HB ALA 13 1.515 3.208 -2.245
120 H HIS 14 H HIS 14 1.677 1.545 -1.306
121 HA HIS 14 HA HIS 14 2.706 0.105 0.744
122 HB2 HIS 14 2HB HIS 14 0.513 -0.583 -1.190
123 HB3 HIS 14 1HB HIS 14 0.923 -1.650 0.149
124 HD1 HIS 14 1HD HIS 14 -0.029 -1.063 2.406
125 HD2 HIS 14 2HD HIS 14 -0.291 2.112 -0.295
126 HE1 HIS 14 1HE HIS 14 -1.411 0.743 3.534
127 HE2 HIS 14 2HE HIS 14 -1.575 2.685 1.898
128 H LEU 15 H LEU 15 2.681 -0.801 -2.627
129 HA LEU 15 HA LEU 15 4.085 -3.312 -2.074
130 HB2 LEU 15 2HB LEU 15 2.583 -2.134 -4.335
131 HB3 LEU 15 1HB LEU 15 3.913 -3.213 -4.758
132 HG LEU 15 HG LEU 15 1.928 -4.030 -2.644
133 HD11 LEU 15 1HD1 LEU 15 0.431 -3.563 -4.405
134 HD12 LEU 15 2HD1 LEU 15 0.794 -5.276 -4.614
135 HD13 LEU 15 3HD1 LEU 15 1.582 -4.076 -5.642
136 HD21 LEU 15 3HD2 LEU 15 2.635 -6.244 -3.236
137 HD22 LEU 15 1HD2 LEU 15 4.100 -5.272 -3.130
138 HD23 LEU 15 2HD2 LEU 15 3.420 -5.670 -4.708
139 H ALA 16 H ALA 16 4.934 -0.162 -2.578
140 HA ALA 16 HA ALA 16 7.491 -0.946 -3.838
141 HB1 ALA 16 1HB ALA 16 5.750 1.429 -4.217
142 HB2 ALA 16 2HB ALA 16 6.698 0.527 -5.399
143 HB3 ALA 16 3HB ALA 16 7.493 1.668 -4.317
144 H LEU 17 H LEU 17 6.084 1.295 -1.483
145 HA LEU 17 HA LEU 17 8.262 2.596 -0.530
146 HB2 LEU 17 2HB LEU 17 7.194 2.713 1.660
147 HB3 LEU 17 1HB LEU 17 6.017 2.946 0.377
148 HG LEU 17 HG LEU 17 5.778 0.282 0.670
149 HD11 LEU 17 1HD1 LEU 17 7.441 1.003 2.837
150 HD12 LEU 17 2HD1 LEU 17 6.609 -0.533 2.608
151 HD13 LEU 17 3HD1 LEU 17 5.839 0.752 3.531
152 HD21 LEU 17 3HD2 LEU 17 4.496 2.454 2.353
153 HD22 LEU 17 1HD2 LEU 17 3.879 0.807 2.255
154 HD23 LEU 17 2HD2 LEU 17 3.914 1.826 0.815
155 H HIS 18 H HIS 18 7.227 -0.574 0.504
156 HA HIS 18 HA HIS 18 9.343 -1.098 2.299
157 HB2 HIS 18 2HB HIS 18 8.620 -3.385 2.225
158 HB3 HIS 18 1HB HIS 18 7.199 -2.362 2.075
159 HD1 HIS 18 1HD HIS 18 8.616 -5.252 0.568
160 HD2 HIS 18 2HD HIS 18 6.612 -1.886 -0.890
161 HE1 HIS 18 1HE HIS 18 7.818 -5.846 -1.772
162 HE2 HIS 18 2HE HIS 18 6.619 -3.798 -2.690
163 H LEU 19 H LEU 19 8.872 -2.018 -1.047
164 HA LEU 19 HA LEU 19 11.373 -3.260 -1.456
165 HB2 LEU 19 2HB LEU 19 9.618 -3.628 -3.054
166 HB3 LEU 19 1HB LEU 19 9.444 -1.897 -3.349
167 HG LEU 19 HG LEU 19 11.718 -1.826 -4.297
168 HD11 LEU 19 1HD1 LEU 19 12.886 -3.548 -3.150
169 HD12 LEU 19 2HD1 LEU 19 12.731 -4.150 -4.798
170 HD13 LEU 19 3HD1 LEU 19 11.655 -4.754 -3.540
171 HD21 LEU 19 3HD2 LEU 19 9.819 -2.267 -5.806
172 HD22 LEU 19 1HD2 LEU 19 9.937 -3.997 -5.466
173 HD23 LEU 19 2HD2 LEU 19 11.233 -3.179 -6.335
174 H ALA 20 H ALA 20 10.254 0.007 -1.504
175 HA ALA 20 HA ALA 20 12.512 1.221 -2.739
176 HB1 ALA 20 1HB ALA 20 10.155 2.214 -2.145
177 HB2 ALA 20 2HB ALA 20 11.570 3.263 -2.146
178 HB3 ALA 20 3HB ALA 20 10.932 2.643 -0.622
179 H LEU 21 H LEU 21 11.625 0.627 0.598
180 HA LEU 21 HA LEU 21 13.955 1.717 1.777
181 HB2 LEU 21 2HB LEU 21 11.588 0.629 2.725
182 HB3 LEU 21 1HB LEU 21 12.797 -0.563 3.204
183 HG LEU 21 HG LEU 21 13.127 2.404 3.718
184 HD11 LEU 21 1HD1 LEU 21 12.067 0.246 5.571
185 HD12 LEU 21 2HD1 LEU 21 11.132 1.581 4.901
186 HD13 LEU 21 3HD1 LEU 21 12.436 1.906 6.041
187 HD21 LEU 21 3HD2 LEU 21 14.672 1.341 5.527
188 HD22 LEU 21 1HD2 LEU 21 15.232 1.337 3.853
189 HD23 LEU 21 2HD2 LEU 21 14.543 -0.125 4.556
190 H ALA 22 H ALA 22 13.027 -1.549 0.853
191 HA ALA 22 HA ALA 22 15.394 -2.867 1.599
192 HB1 ALA 22 1HB ALA 22 14.695 -4.632 0.046
193 HB2 ALA 22 2HB ALA 22 13.535 -3.529 -0.694
194 HB3 ALA 22 3HB ALA 22 13.316 -4.051 0.976
195 H LEU 23 H LEU 23 14.426 -1.297 -1.400
196 HA LEU 23 HA LEU 23 16.708 -1.928 -2.923
197 HB2 LEU 23 2HB LEU 23 14.566 -0.948 -3.818
198 HB3 LEU 23 1HB LEU 23 15.068 0.598 -3.139
199 HG LEU 23 HG LEU 23 17.305 0.091 -4.484
200 HD11 LEU 23 1HD1 LEU 23 16.854 -1.105 -6.578
201 HD12 LEU 23 2HD1 LEU 23 15.196 -1.413 -6.067
202 HD13 LEU 23 3HD1 LEU 23 16.537 -2.166 -5.207
203 HD21 LEU 23 3HD2 LEU 23 14.668 1.148 -5.504
204 HD22 LEU 23 1HD2 LEU 23 16.105 1.179 -6.523
205 HD23 LEU 23 2HD2 LEU 23 16.088 2.056 -4.994
206 H LYS 24 H LYS 24 15.930 0.865 -0.926
207 HA LYS 24 HA LYS 24 18.372 2.251 -1.287
208 HB2 LYS 24 2HB LYS 24 16.274 3.255 -0.352
209 HB3 LYS 24 1HB LYS 24 16.550 2.343 1.129
210 HG2 LYS 24 2HG LYS 24 18.682 4.156 -0.003
211 HG3 LYS 24 1HG LYS 24 17.405 4.793 1.033
212 HD2 LYS 24 2HD LYS 24 18.282 2.503 2.372
213 HD3 LYS 24 1HD LYS 24 19.764 3.238 1.763
214 HE2 LYS 24 2HE LYS 24 17.635 4.803 3.239
215 HE3 LYS 24 1HE LYS 24 19.008 4.047 4.046
216 HZ1 LYS 24 3HZ LYS 24 18.921 6.406 2.395
217 HZ2 LYS 24 1HZ LYS 24 20.192 5.346 2.010
218 HZ3 LYS 24 2HZ LYS 24 20.039 5.954 3.588
219 H LYS 25 H LYS 25 17.215 0.104 1.233
220 HA LYS 25 HA LYS 25 18.726 -1.687 2.004
221 HB2 LYS 25 2HB LYS 25 20.792 -0.580 1.136
222 HB3 LYS 25 1HB LYS 25 20.680 0.596 2.446
223 HG2 LYS 25 2HG LYS 25 20.479 -1.779 3.810
224 HG3 LYS 25 1HG LYS 25 21.567 -2.217 2.499
225 HD2 LYS 25 2HD LYS 25 23.226 -0.764 3.194
226 HD3 LYS 25 1HD LYS 25 22.082 0.365 3.913
227 HE2 LYS 25 2HE LYS 25 23.635 -1.338 5.363
228 HE3 LYS 25 1HE LYS 25 22.089 -0.706 5.926
229 HZ1 LYS 25 3HZ LYS 25 21.065 -2.672 5.631
230 HZ2 LYS 25 1HZ LYS 25 22.642 -3.287 5.803
231 HZ3 LYS 25 2HZ LYS 25 21.979 -3.084 4.251
232 H ALA 26 H ALA 26 18.600 -2.269 4.132
233 HA ALA 26 HA ALA 26 17.892 -0.156 6.076
234 HB1 ALA 26 1HB ALA 26 16.562 -2.871 5.905
235 HB2 ALA 26 2HB ALA 26 15.866 -1.390 5.251
236 HB3 ALA 26 3HB ALA 26 16.141 -1.540 6.984
Start of MODEL 8
1 H1 LYS 1 1HT LYS 1 13.562 -5.316 -11.101
2 H2 LYS 1 2HT LYS 1 12.560 -6.114 -12.211
3 H3 LYS 1 3HT LYS 1 12.350 -6.359 -10.550
4 HA LYS 1 HA LYS 1 11.285 -4.407 -10.216
5 HB2 LYS 1 2HB LYS 1 12.965 -3.455 -12.543
6 HB3 LYS 1 1HB LYS 1 11.586 -2.515 -11.976
7 HG2 LYS 1 2HG LYS 1 13.171 -3.366 -9.715
8 HG3 LYS 1 1HG LYS 1 14.200 -2.541 -10.883
9 HD2 LYS 1 2HD LYS 1 11.532 -1.397 -10.016
10 HD3 LYS 1 1HD LYS 1 13.016 -1.060 -9.127
11 HE2 LYS 1 2HE LYS 1 12.368 -0.347 -11.998
12 HE3 LYS 1 1HE LYS 1 12.771 0.742 -10.672
13 HZ1 LYS 1 2HZ LYS 1 14.726 0.580 -11.857
14 HZ2 LYS 1 3HZ LYS 1 14.539 -1.077 -12.167
15 HZ3 LYS 1 1HZ LYS 1 14.958 -0.550 -10.612
16 H LYS 2 H LYS 2 10.041 -6.536 -11.138
17 HA LYS 2 HA LYS 2 8.811 -6.091 -13.725
18 HB2 LYS 2 2HB LYS 2 7.877 -8.052 -11.632
19 HB3 LYS 2 1HB LYS 2 7.656 -8.132 -13.379
20 HG2 LYS 2 2HG LYS 2 9.502 -9.432 -13.431
21 HG3 LYS 2 1HG LYS 2 10.425 -7.972 -13.085
22 HD2 LYS 2 2HD LYS 2 11.025 -9.648 -11.440
23 HD3 LYS 2 1HD LYS 2 10.084 -8.395 -10.640
24 HE2 LYS 2 2HE LYS 2 9.534 -10.976 -10.277
25 HE3 LYS 2 1HE LYS 2 8.262 -9.762 -10.318
26 HZ1 LYS 2 3HZ LYS 2 9.122 -11.052 -12.816
27 HZ2 LYS 2 1HZ LYS 2 7.623 -10.361 -12.428
28 HZ3 LYS 2 2HZ LYS 2 8.064 -11.865 -11.779
29 H ALA 3 H ALA 3 7.180 -4.696 -14.032
30 HA ALA 3 HA ALA 3 4.933 -4.608 -12.235
31 HB1 ALA 3 1HB ALA 3 6.230 -3.125 -10.918
32 HB2 ALA 3 2HB ALA 3 5.168 -2.092 -11.874
33 HB3 ALA 3 3HB ALA 3 6.860 -2.287 -12.339
34 H LEU 4 H LEU 4 3.669 -5.055 -14.029
35 HA LEU 4 HA LEU 4 3.672 -3.023 -16.170
36 HB2 LEU 4 2HB LEU 4 2.008 -5.233 -16.869
37 HB3 LEU 4 1HB LEU 4 3.499 -4.702 -17.636
38 HG LEU 4 HG LEU 4 4.607 -5.964 -15.558
39 HD11 LEU 4 1HD1 LEU 4 2.837 -6.799 -14.327
40 HD12 LEU 4 2HD1 LEU 4 3.092 -8.148 -15.428
41 HD13 LEU 4 3HD1 LEU 4 1.801 -6.989 -15.738
42 HD21 LEU 4 3HD2 LEU 4 4.689 -8.022 -17.005
43 HD22 LEU 4 1HD2 LEU 4 5.070 -6.536 -17.873
44 HD23 LEU 4 2HD2 LEU 4 3.484 -7.281 -18.054
45 H LEU 5 H LEU 5 1.211 -5.247 -14.978
46 HA LEU 5 HA LEU 5 -0.973 -3.580 -15.335
47 HB2 LEU 5 2HB LEU 5 -1.332 -5.906 -14.823
48 HB3 LEU 5 1HB LEU 5 -0.476 -5.752 -13.291
49 HG LEU 5 HG LEU 5 -2.226 -4.172 -12.494
50 HD11 LEU 5 1HD1 LEU 5 -4.366 -4.128 -13.822
51 HD12 LEU 5 2HD1 LEU 5 -3.481 -4.866 -15.157
52 HD13 LEU 5 3HD1 LEU 5 -3.024 -3.267 -14.572
53 HD21 LEU 5 3HD2 LEU 5 -2.462 -6.506 -11.895
54 HD22 LEU 5 1HD2 LEU 5 -3.175 -6.887 -13.461
55 HD23 LEU 5 2HD2 LEU 5 -4.058 -5.882 -12.310
56 H ALA 6 H ALA 6 0.969 -4.090 -12.440
57 HA ALA 6 HA ALA 6 -0.261 -2.216 -10.771
58 HB1 ALA 6 1HB ALA 6 1.373 -3.887 -9.967
59 HB2 ALA 6 2HB ALA 6 1.795 -2.254 -9.457
60 HB3 ALA 6 3HB ALA 6 2.657 -3.006 -10.798
61 H LEU 7 H LEU 7 2.350 -1.865 -13.107
62 HA LEU 7 HA LEU 7 3.060 0.794 -12.556
63 HB2 LEU 7 2HB LEU 7 4.532 -0.299 -14.024
64 HB3 LEU 7 1HB LEU 7 3.225 -0.898 -15.036
65 HG LEU 7 HG LEU 7 2.749 1.468 -15.734
66 HD11 LEU 7 1HD1 LEU 7 3.727 3.177 -14.635
67 HD12 LEU 7 2HD1 LEU 7 5.322 2.564 -15.075
68 HD13 LEU 7 3HD1 LEU 7 4.550 2.021 -13.587
69 HD21 LEU 7 3HD2 LEU 7 4.507 1.535 -17.338
70 HD22 LEU 7 1HD2 LEU 7 4.282 -0.174 -16.968
71 HD23 LEU 7 2HD2 LEU 7 5.629 0.713 -16.255
72 H ALA 8 H ALA 8 0.664 -0.573 -14.717
73 HA ALA 8 HA ALA 8 -0.365 1.830 -15.762
74 HB1 ALA 8 1HB ALA 8 -1.976 0.506 -16.699
75 HB2 ALA 8 2HB ALA 8 -2.265 -0.376 -15.202
76 HB3 ALA 8 3HB ALA 8 -0.878 -0.783 -16.204
77 H LEU 9 H LEU 9 -1.458 -0.185 -13.112
78 HA LEU 9 HA LEU 9 -3.528 1.407 -12.137
79 HB2 LEU 9 2HB LEU 9 -1.857 -0.774 -11.054
80 HB3 LEU 9 1HB LEU 9 -2.638 0.258 -9.856
81 HG LEU 9 HG LEU 9 -4.784 -0.055 -11.268
82 HD11 LEU 9 1HD1 LEU 9 -3.039 -2.300 -12.299
83 HD12 LEU 9 2HD1 LEU 9 -3.798 -1.023 -13.247
84 HD13 LEU 9 3HD1 LEU 9 -4.791 -2.261 -12.479
85 HD21 LEU 9 3HD2 LEU 9 -3.561 -2.389 -9.766
86 HD22 LEU 9 1HD2 LEU 9 -5.277 -2.198 -10.123
87 HD23 LEU 9 2HD2 LEU 9 -4.466 -1.054 -9.053
88 H HIS 10 H HIS 10 -0.477 1.066 -10.363
89 HA HIS 10 HA HIS 10 -0.118 3.939 -10.160
90 HB2 HIS 10 2HB HIS 10 -1.962 3.224 -8.486
91 HB3 HIS 10 1HB HIS 10 -0.643 2.505 -7.568
92 HD1 HIS 10 1HD HIS 10 -1.233 4.369 -5.731
93 HD2 HIS 10 2HD HIS 10 0.345 5.813 -9.313
94 HE1 HIS 10 1HE HIS 10 -0.452 6.738 -5.270
95 HE2 HIS 10 2HE HIS 10 0.510 7.638 -7.449
96 H HIS 11 H HIS 11 1.491 1.658 -10.985
97 HA HIS 11 HA HIS 11 3.690 1.034 -10.871
98 HB2 HIS 11 2HB HIS 11 4.133 3.001 -8.641
99 HB3 HIS 11 1HB HIS 11 5.293 2.402 -9.814
100 HD1 HIS 11 1HD HIS 11 4.612 5.476 -9.384
101 HD2 HIS 11 2HD HIS 11 2.999 3.053 -12.375
102 HE1 HIS 11 1HE HIS 11 3.845 7.027 -11.246
103 HE2 HIS 11 2HE HIS 11 2.867 5.559 -13.072
104 H LEU 12 H LEU 12 3.645 1.875 -7.476
105 HA LEU 12 HA LEU 12 3.173 -0.875 -6.645
106 HB2 LEU 12 2HB LEU 12 5.817 0.550 -6.337
107 HB3 LEU 12 1HB LEU 12 5.337 -0.769 -5.270
108 HG LEU 12 HG LEU 12 5.399 -1.014 -8.288
109 HD11 LEU 12 1HD1 LEU 12 7.661 -0.616 -7.609
110 HD12 LEU 12 2HD1 LEU 12 7.500 -2.357 -7.809
111 HD13 LEU 12 3HD1 LEU 12 7.487 -1.654 -6.194
112 HD21 LEU 12 3HD2 LEU 12 3.982 -2.684 -7.340
113 HD22 LEU 12 1HD2 LEU 12 5.071 -2.935 -5.976
114 HD23 LEU 12 2HD2 LEU 12 5.532 -3.482 -7.587
115 H ALA 13 H ALA 13 4.391 2.263 -5.656
116 HA ALA 13 HA ALA 13 4.052 3.547 -3.774
117 HB1 ALA 13 1HB ALA 13 1.254 2.459 -4.191
118 HB2 ALA 13 2HB ALA 13 1.921 3.944 -4.879
119 HB3 ALA 13 3HB ALA 13 1.663 3.816 -3.138
120 H HIS 14 H HIS 14 1.446 1.874 -2.409
121 HA HIS 14 HA HIS 14 2.713 1.352 0.013
122 HB2 HIS 14 2HB HIS 14 0.144 0.746 -1.204
123 HB3 HIS 14 1HB HIS 14 0.691 -0.550 -0.144
124 HD1 HIS 14 1HD HIS 14 -1.228 0.214 1.552
125 HD2 HIS 14 2HD HIS 14 1.796 3.023 0.914
126 HE1 HIS 14 1HE HIS 14 -1.405 1.906 3.442
127 HE2 HIS 14 2HE HIS 14 0.442 3.626 3.064
128 H LEU 15 H LEU 15 2.780 -0.449 -2.908
129 HA LEU 15 HA LEU 15 3.823 -2.851 -1.568
130 HB2 LEU 15 2HB LEU 15 2.792 -2.170 -4.274
131 HB3 LEU 15 1HB LEU 15 4.050 -3.404 -4.194
132 HG LEU 15 HG LEU 15 1.587 -3.493 -2.428
133 HD11 LEU 15 1HD1 LEU 15 0.916 -5.315 -4.163
134 HD12 LEU 15 2HD1 LEU 15 2.018 -4.470 -5.249
135 HD13 LEU 15 3HD1 LEU 15 0.626 -3.625 -4.572
136 HD21 LEU 15 3HD2 LEU 15 2.688 -5.258 -1.544
137 HD22 LEU 15 1HD2 LEU 15 4.004 -5.058 -2.703
138 HD23 LEU 15 2HD2 LEU 15 2.609 -6.052 -3.114
139 H ALA 16 H ALA 16 4.890 0.060 -2.765
140 HA ALA 16 HA ALA 16 7.477 -0.932 -3.683
141 HB1 ALA 16 1HB ALA 16 7.449 1.908 -3.537
142 HB2 ALA 16 2HB ALA 16 5.909 1.386 -4.217
143 HB3 ALA 16 3HB ALA 16 7.419 0.885 -4.974
144 H LEU 17 H LEU 17 6.318 1.357 -1.225
145 HA LEU 17 HA LEU 17 8.507 2.261 -0.036
146 HB2 LEU 17 2HB LEU 17 7.419 2.093 2.184
147 HB3 LEU 17 1HB LEU 17 6.354 2.727 0.935
148 HG LEU 17 HG LEU 17 5.873 0.009 0.790
149 HD11 LEU 17 1HD1 LEU 17 5.344 0.002 3.538
150 HD12 LEU 17 2HD1 LEU 17 6.977 0.647 3.422
151 HD13 LEU 17 3HD1 LEU 17 6.607 -0.925 2.728
152 HD21 LEU 17 3HD2 LEU 17 4.315 2.039 0.874
153 HD22 LEU 17 1HD2 LEU 17 4.400 1.902 2.629
154 HD23 LEU 17 2HD2 LEU 17 3.725 0.584 1.677
155 H HIS 18 H HIS 18 7.270 -0.955 0.523
156 HA HIS 18 HA HIS 18 9.296 -1.842 2.293
157 HB2 HIS 18 2HB HIS 18 8.205 -3.764 0.279
158 HB3 HIS 18 1HB HIS 18 8.540 -3.998 1.988
159 HD1 HIS 18 1HD HIS 18 6.601 -3.699 3.586
160 HD2 HIS 18 2HD HIS 18 5.813 -2.160 -0.211
161 HE1 HIS 18 1HE HIS 18 4.150 -3.040 3.572
162 HE2 HIS 18 2HE HIS 18 3.661 -2.073 1.270
163 H LEU 19 H LEU 19 8.921 -2.620 -1.108
164 HA LEU 19 HA LEU 19 11.499 -3.675 -1.506
165 HB2 LEU 19 2HB LEU 19 9.519 -4.011 -3.001
166 HB3 LEU 19 1HB LEU 19 9.687 -2.345 -3.548
167 HG LEU 19 HG LEU 19 10.751 -4.239 -4.980
168 HD11 LEU 19 1HD1 LEU 19 12.948 -2.364 -4.509
169 HD12 LEU 19 2HD1 LEU 19 11.380 -1.560 -4.623
170 HD13 LEU 19 3HD1 LEU 19 11.941 -2.584 -5.942
171 HD21 LEU 19 3HD2 LEU 19 13.041 -3.933 -3.028
172 HD22 LEU 19 1HD2 LEU 19 12.848 -5.118 -4.319
173 HD23 LEU 19 2HD2 LEU 19 11.862 -5.237 -2.863
174 H ALA 20 H ALA 20 10.261 -0.478 -1.409
175 HA ALA 20 HA ALA 20 12.378 0.857 -2.769
176 HB1 ALA 20 1HB ALA 20 10.007 1.724 -1.988
177 HB2 ALA 20 2HB ALA 20 11.377 2.830 -2.110
178 HB3 ALA 20 3HB ALA 20 10.899 2.188 -0.536
179 H LEU 21 H LEU 21 11.649 0.563 0.673
180 HA LEU 21 HA LEU 21 14.036 1.650 1.641
181 HB2 LEU 21 2HB LEU 21 12.009 1.151 3.015
182 HB3 LEU 21 1HB LEU 21 12.414 -0.563 2.920
183 HG LEU 21 HG LEU 21 14.694 0.045 3.901
184 HD11 LEU 21 1HD1 LEU 21 14.761 2.192 5.154
185 HD12 LEU 21 2HD1 LEU 21 13.202 2.629 4.458
186 HD13 LEU 21 3HD1 LEU 21 14.615 2.460 3.415
187 HD21 LEU 21 3HD2 LEU 21 12.499 -0.785 5.133
188 HD22 LEU 21 1HD2 LEU 21 12.533 0.836 5.834
189 HD23 LEU 21 2HD2 LEU 21 13.898 -0.259 6.071
190 H ALA 22 H ALA 22 13.157 -1.666 0.896
191 HA ALA 22 HA ALA 22 15.480 -2.976 1.700
192 HB1 ALA 22 1HB ALA 22 14.845 -4.605 -0.210
193 HB2 ALA 22 2HB ALA 22 13.442 -3.561 -0.427
194 HB3 ALA 22 3HB ALA 22 13.706 -4.378 1.111
195 H LEU 23 H LEU 23 14.856 -1.095 -1.158
196 HA LEU 23 HA LEU 23 17.434 -1.871 -2.328
197 HB2 LEU 23 2HB LEU 23 14.890 -1.044 -3.402
198 HB3 LEU 23 1HB LEU 23 16.155 0.040 -3.969
199 HG LEU 23 HG LEU 23 15.905 -1.870 -5.501
200 HD11 LEU 23 1HD1 LEU 23 18.186 -0.805 -4.826
201 HD12 LEU 23 2HD1 LEU 23 18.201 -2.324 -5.725
202 HD13 LEU 23 3HD1 LEU 23 18.468 -2.324 -3.982
203 HD21 LEU 23 3HD2 LEU 23 15.071 -3.498 -3.820
204 HD22 LEU 23 1HD2 LEU 23 16.671 -3.547 -3.084
205 HD23 LEU 23 2HD2 LEU 23 16.436 -4.146 -4.724
206 H LYS 24 H LYS 24 15.663 0.975 -1.307
207 HA LYS 24 HA LYS 24 17.668 2.879 -1.870
208 HB2 LYS 24 2HB LYS 24 15.288 2.832 -0.036
209 HB3 LYS 24 1HB LYS 24 16.408 4.196 -0.017
210 HG2 LYS 24 2HG LYS 24 15.909 4.806 -2.233
211 HG3 LYS 24 1HG LYS 24 15.279 3.206 -2.630
212 HD2 LYS 24 2HD LYS 24 13.513 5.024 -2.329
213 HD3 LYS 24 1HD LYS 24 13.280 3.569 -1.364
214 HE2 LYS 24 2HE LYS 24 12.963 5.760 -0.105
215 HE3 LYS 24 1HE LYS 24 14.109 4.640 0.623
216 HZ1 LYS 24 3HZ LYS 24 15.637 6.228 0.495
217 HZ2 LYS 24 1HZ LYS 24 14.548 7.266 -0.288
218 HZ3 LYS 24 2HZ LYS 24 15.517 6.213 -1.198
219 H LYS 25 H LYS 25 16.691 1.596 1.273
220 HA LYS 25 HA LYS 25 19.334 2.295 2.346
221 HB2 LYS 25 2HB LYS 25 16.735 2.514 3.377
222 HB3 LYS 25 1HB LYS 25 17.484 1.203 4.285
223 HG2 LYS 25 2HG LYS 25 19.538 2.877 4.390
224 HG3 LYS 25 1HG LYS 25 18.296 4.087 4.093
225 HD2 LYS 25 2HD LYS 25 18.501 3.899 6.476
226 HD3 LYS 25 1HD LYS 25 17.000 3.092 6.033
227 HE2 LYS 25 2HE LYS 25 18.315 1.770 7.660
228 HE3 LYS 25 1HE LYS 25 18.099 0.910 6.141
229 HZ1 LYS 25 3HZ LYS 25 20.314 0.636 6.318
230 HZ2 LYS 25 1HZ LYS 25 20.513 1.981 7.342
231 HZ3 LYS 25 2HZ LYS 25 20.383 2.212 5.666
232 H ALA 26 H ALA 26 19.521 0.557 4.427
233 HA ALA 26 HA ALA 26 19.249 -2.179 3.541
234 HB1 ALA 26 1HB ALA 26 22.010 -0.971 3.852
235 HB2 ALA 26 2HB ALA 26 21.282 -1.449 2.317
236 HB3 ALA 26 3HB ALA 26 21.650 -2.667 3.539
Start of MODEL 9
1 H1 LYS 1 1HT LYS 1 15.272 4.806 -12.855
2 H2 LYS 1 2HT LYS 1 15.987 3.302 -12.526
3 H3 LYS 1 3HT LYS 1 14.717 3.866 -11.560
4 HA LYS 1 HA LYS 1 13.254 3.804 -13.540
5 HB2 LYS 1 2HB LYS 1 15.502 3.693 -14.989
6 HB3 LYS 1 1HB LYS 1 15.246 1.958 -14.799
7 HG2 LYS 1 2HG LYS 1 12.725 2.732 -15.451
8 HG3 LYS 1 1HG LYS 1 13.659 3.954 -16.319
9 HD2 LYS 1 2HD LYS 1 15.073 1.969 -17.195
10 HD3 LYS 1 1HD LYS 1 13.744 0.947 -16.637
11 HE2 LYS 1 2HE LYS 1 13.758 3.019 -18.814
12 HE3 LYS 1 1HE LYS 1 13.126 1.377 -18.848
13 HZ1 LYS 1 2HZ LYS 1 11.945 3.461 -17.105
14 HZ2 LYS 1 3HZ LYS 1 11.261 1.990 -17.615
15 HZ3 LYS 1 1HZ LYS 1 11.456 3.259 -18.716
16 H LYS 2 H LYS 2 13.311 2.720 -11.053
17 HA LYS 2 HA LYS 2 12.921 -0.175 -11.527
18 HB2 LYS 2 2HB LYS 2 14.633 1.061 -9.659
19 HB3 LYS 2 1HB LYS 2 13.257 0.484 -8.721
20 HG2 LYS 2 2HG LYS 2 14.924 -1.297 -8.849
21 HG3 LYS 2 1HG LYS 2 13.517 -1.761 -9.809
22 HD2 LYS 2 2HD LYS 2 14.635 -1.038 -11.866
23 HD3 LYS 2 1HD LYS 2 16.021 -0.469 -10.936
24 HE2 LYS 2 2HE LYS 2 15.977 -2.896 -12.068
25 HE3 LYS 2 1HE LYS 2 16.799 -2.609 -10.538
26 HZ1 LYS 2 3HZ LYS 2 15.216 -4.549 -10.614
27 HZ2 LYS 2 1HZ LYS 2 13.955 -3.421 -10.689
28 HZ3 LYS 2 2HZ LYS 2 14.983 -3.458 -9.338
29 H ALA 3 H ALA 3 11.901 2.504 -9.402
30 HA ALA 3 HA ALA 3 9.439 1.247 -8.667
31 HB1 ALA 3 1HB ALA 3 8.857 3.442 -7.730
32 HB2 ALA 3 2HB ALA 3 10.227 4.170 -8.568
33 HB3 ALA 3 3HB ALA 3 10.503 2.992 -7.285
34 H LEU 4 H LEU 4 9.559 0.944 -11.335
35 HA LEU 4 HA LEU 4 8.036 3.044 -12.649
36 HB2 LEU 4 2HB LEU 4 9.915 1.723 -13.766
37 HB3 LEU 4 1HB LEU 4 8.804 0.356 -13.790
38 HG LEU 4 HG LEU 4 7.762 2.948 -14.842
39 HD11 LEU 4 1HD1 LEU 4 8.765 2.230 -17.111
40 HD12 LEU 4 2HD1 LEU 4 9.914 1.292 -16.161
41 HD13 LEU 4 3HD1 LEU 4 9.834 3.044 -15.969
42 HD21 LEU 4 3HD2 LEU 4 6.260 1.094 -14.897
43 HD22 LEU 4 1HD2 LEU 4 7.508 0.006 -15.500
44 HD23 LEU 4 2HD2 LEU 4 6.848 1.262 -16.550
45 H LEU 5 H LEU 5 7.608 -0.461 -12.574
46 HA LEU 5 HA LEU 5 4.947 -0.587 -13.230
47 HB2 LEU 5 2HB LEU 5 5.266 -2.577 -11.258
48 HB3 LEU 5 1HB LEU 5 5.410 -2.767 -13.000
49 HG LEU 5 HG LEU 5 7.728 -1.765 -11.333
50 HD11 LEU 5 1HD1 LEU 5 7.237 -4.650 -12.123
51 HD12 LEU 5 2HD1 LEU 5 6.862 -4.018 -10.519
52 HD13 LEU 5 3HD1 LEU 5 8.527 -4.021 -11.099
53 HD21 LEU 5 3HD2 LEU 5 7.416 -1.772 -14.008
54 HD22 LEU 5 1HD2 LEU 5 7.977 -3.429 -13.802
55 HD23 LEU 5 2HD2 LEU 5 8.978 -2.087 -13.251
56 H ALA 6 H ALA 6 6.348 -0.200 -10.033
57 HA ALA 6 HA ALA 6 4.023 -0.194 -8.489
58 HB1 ALA 6 1HB ALA 6 6.652 1.249 -8.141
59 HB2 ALA 6 2HB ALA 6 6.083 -0.197 -7.305
60 HB3 ALA 6 3HB ALA 6 5.356 1.370 -6.957
61 H LEU 7 H LEU 7 5.627 2.409 -10.208
62 HA LEU 7 HA LEU 7 4.033 4.563 -9.431
63 HB2 LEU 7 2HB LEU 7 6.171 4.354 -11.026
64 HB3 LEU 7 1HB LEU 7 4.929 4.405 -12.275
65 HG LEU 7 HG LEU 7 5.233 6.448 -10.051
66 HD11 LEU 7 1HD1 LEU 7 6.990 7.073 -11.380
67 HD12 LEU 7 2HD1 LEU 7 5.706 7.806 -12.341
68 HD13 LEU 7 3HD1 LEU 7 6.356 6.230 -12.795
69 HD21 LEU 7 3HD2 LEU 7 3.673 7.733 -11.647
70 HD22 LEU 7 1HD2 LEU 7 2.947 6.421 -10.728
71 HD23 LEU 7 2HD2 LEU 7 3.368 6.179 -12.421
72 H ALA 8 H ALA 8 3.807 2.717 -12.421
73 HA ALA 8 HA ALA 8 1.315 3.587 -13.303
74 HB1 ALA 8 1HB ALA 8 3.146 1.773 -14.207
75 HB2 ALA 8 2HB ALA 8 1.529 1.960 -14.879
76 HB3 ALA 8 3HB ALA 8 1.843 0.708 -13.678
77 H LEU 9 H LEU 9 2.120 0.733 -11.425
78 HA LEU 9 HA LEU 9 -0.293 -0.399 -10.908
79 HB2 LEU 9 2HB LEU 9 1.914 -1.194 -10.036
80 HB3 LEU 9 1HB LEU 9 1.819 0.053 -8.794
81 HG LEU 9 HG LEU 9 -0.307 -0.923 -7.979
82 HD11 LEU 9 1HD1 LEU 9 -0.442 -3.452 -9.009
83 HD12 LEU 9 2HD1 LEU 9 0.059 -2.540 -10.431
84 HD13 LEU 9 3HD1 LEU 9 -1.423 -2.100 -9.578
85 HD21 LEU 9 3HD2 LEU 9 2.211 -1.802 -7.465
86 HD22 LEU 9 1HD2 LEU 9 1.497 -3.290 -8.084
87 HD23 LEU 9 2HD2 LEU 9 0.784 -2.487 -6.686
88 H HIS 10 H HIS 10 1.130 1.937 -8.646
89 HA HIS 10 HA HIS 10 -1.373 3.369 -8.387
90 HB2 HIS 10 2HB HIS 10 -1.137 1.137 -6.787
91 HB3 HIS 10 1HB HIS 10 -0.560 2.425 -5.729
92 HD1 HIS 10 1HD HIS 10 -3.456 0.820 -5.777
93 HD2 HIS 10 2HD HIS 10 -2.675 4.788 -6.832
94 HE1 HIS 10 1HE HIS 10 -5.647 2.075 -5.539
95 HE2 HIS 10 2HE HIS 10 -5.188 4.494 -6.169
96 H HIS 11 H HIS 11 1.142 4.214 -9.191
97 HA HIS 11 HA HIS 11 2.746 5.805 -8.813
98 HB2 HIS 11 2HB HIS 11 1.070 7.048 -6.680
99 HB3 HIS 11 1HB HIS 11 1.957 7.802 -8.001
100 HD1 HIS 11 1HD HIS 11 -1.273 7.903 -7.218
101 HD2 HIS 11 2HD HIS 11 0.533 6.023 -10.479
102 HE1 HIS 11 1HE HIS 11 -3.056 7.665 -9.006
103 HE2 HIS 11 2HE HIS 11 -1.969 6.541 -10.995
104 H LEU 12 H LEU 12 1.443 5.753 -5.552
105 HA LEU 12 HA LEU 12 4.085 5.468 -4.406
106 HB2 LEU 12 2HB LEU 12 1.611 5.135 -2.758
107 HB3 LEU 12 1HB LEU 12 3.109 5.980 -2.376
108 HG LEU 12 HG LEU 12 0.971 6.947 -4.305
109 HD11 LEU 12 1HD1 LEU 12 0.348 7.132 -1.922
110 HD12 LEU 12 2HD1 LEU 12 0.649 8.722 -2.624
111 HD13 LEU 12 3HD1 LEU 12 1.865 7.969 -1.597
112 HD21 LEU 12 3HD2 LEU 12 3.498 8.332 -3.346
113 HD22 LEU 12 1HD2 LEU 12 2.326 8.960 -4.507
114 HD23 LEU 12 2HD2 LEU 12 3.326 7.573 -4.928
115 H ALA 13 H ALA 13 1.303 3.564 -5.138
116 HA ALA 13 HA ALA 13 0.887 1.320 -5.140
117 HB1 ALA 13 1HB ALA 13 3.490 1.543 -5.953
118 HB2 ALA 13 2HB ALA 13 2.554 0.051 -5.947
119 HB3 ALA 13 3HB ALA 13 3.616 0.429 -4.593
120 H HIS 14 H HIS 14 3.222 2.223 -2.678
121 HA HIS 14 HA HIS 14 3.229 1.879 -0.406
122 HB2 HIS 14 2HB HIS 14 1.222 1.766 0.551
123 HB3 HIS 14 1HB HIS 14 0.504 1.519 -1.030
124 HD1 HIS 14 1HD HIS 14 0.562 0.040 2.186
125 HD2 HIS 14 2HD HIS 14 0.718 -1.506 -1.691
126 HE1 HIS 14 1HE HIS 14 -0.158 -2.392 2.343
127 HE2 HIS 14 2HE HIS 14 -0.054 -3.350 -0.009
128 H LEU 15 H LEU 15 2.606 -0.632 -2.669
129 HA LEU 15 HA LEU 15 3.803 -2.752 -1.085
130 HB2 LEU 15 2HB LEU 15 2.758 -2.441 -3.873
131 HB3 LEU 15 1HB LEU 15 3.913 -3.735 -3.556
132 HG LEU 15 HG LEU 15 1.414 -3.320 -1.896
133 HD11 LEU 15 1HD1 LEU 15 1.845 -5.250 -4.193
134 HD12 LEU 15 2HD1 LEU 15 0.843 -3.800 -4.271
135 HD13 LEU 15 3HD1 LEU 15 0.396 -5.127 -3.195
136 HD21 LEU 15 3HD2 LEU 15 3.632 -5.319 -2.019
137 HD22 LEU 15 1HD2 LEU 15 2.014 -5.919 -1.660
138 HD23 LEU 15 2HD2 LEU 15 2.753 -4.704 -0.619
139 H ALA 16 H ALA 16 4.768 -0.047 -2.675
140 HA ALA 16 HA ALA 16 7.313 -1.032 -3.658
141 HB1 ALA 16 1HB ALA 16 6.142 1.748 -3.536
142 HB2 ALA 16 2HB ALA 16 6.203 0.692 -4.948
143 HB3 ALA 16 3HB ALA 16 7.694 1.347 -4.270
144 H LEU 17 H LEU 17 6.153 1.141 -1.127
145 HA LEU 17 HA LEU 17 8.379 2.164 -0.019
146 HB2 LEU 17 2HB LEU 17 7.258 2.362 2.011
147 HB3 LEU 17 1HB LEU 17 5.935 2.180 0.869
148 HG LEU 17 HG LEU 17 6.169 -0.372 1.418
149 HD11 LEU 17 1HD1 LEU 17 7.570 -0.953 3.079
150 HD12 LEU 17 2HD1 LEU 17 6.817 0.213 4.163
151 HD13 LEU 17 3HD1 LEU 17 8.154 0.708 3.128
152 HD21 LEU 17 3HD2 LEU 17 4.547 -0.111 3.236
153 HD22 LEU 17 1HD2 LEU 17 4.221 1.074 1.973
154 HD23 LEU 17 2HD2 LEU 17 5.039 1.565 3.457
155 H HIS 18 H HIS 18 7.258 -1.102 0.386
156 HA HIS 18 HA HIS 18 9.301 -2.044 2.109
157 HB2 HIS 18 2HB HIS 18 8.048 -3.760 -0.021
158 HB3 HIS 18 1HB HIS 18 8.592 -4.219 1.584
159 HD1 HIS 18 1HD HIS 18 6.983 -3.821 3.552
160 HD2 HIS 18 2HD HIS 18 5.566 -2.354 -0.082
161 HE1 HIS 18 1HE HIS 18 4.556 -3.182 3.937
162 HE2 HIS 18 2HE HIS 18 3.678 -2.272 1.726
163 H LEU 19 H LEU 19 8.910 -2.608 -1.334
164 HA LEU 19 HA LEU 19 11.477 -3.615 -1.848
165 HB2 LEU 19 2HB LEU 19 9.918 -3.984 -3.548
166 HB3 LEU 19 1HB LEU 19 9.327 -2.326 -3.501
167 HG LEU 19 HG LEU 19 12.188 -2.703 -4.261
168 HD11 LEU 19 1HD1 LEU 19 11.646 -3.300 -6.555
169 HD12 LEU 19 2HD1 LEU 19 9.923 -3.302 -6.184
170 HD13 LEU 19 3HD1 LEU 19 10.978 -4.526 -5.480
171 HD21 LEU 19 3HD2 LEU 19 11.540 -0.468 -4.406
172 HD22 LEU 19 1HD2 LEU 19 9.893 -0.868 -4.896
173 HD23 LEU 19 2HD2 LEU 19 11.216 -1.003 -6.052
174 H ALA 20 H ALA 20 10.235 -0.414 -1.530
175 HA ALA 20 HA ALA 20 12.387 1.014 -2.705
176 HB1 ALA 20 1HB ALA 20 10.056 1.902 -2.037
177 HB2 ALA 20 2HB ALA 20 11.440 2.963 -1.780
178 HB3 ALA 20 3HB ALA 20 10.739 2.085 -0.422
179 H LEU 21 H LEU 21 11.599 0.593 0.711
180 HA LEU 21 HA LEU 21 13.933 1.572 1.820
181 HB2 LEU 21 2HB LEU 21 11.806 -0.268 2.684
182 HB3 LEU 21 1HB LEU 21 13.342 -0.468 3.530
183 HG LEU 21 HG LEU 21 13.369 1.975 3.999
184 HD11 LEU 21 1HD1 LEU 21 10.661 2.664 3.630
185 HD12 LEU 21 2HD1 LEU 21 11.155 1.913 2.119
186 HD13 LEU 21 3HD1 LEU 21 12.044 3.301 2.738
187 HD21 LEU 21 3HD2 LEU 21 12.518 0.568 5.736
188 HD22 LEU 21 1HD2 LEU 21 10.988 0.335 4.893
189 HD23 LEU 21 2HD2 LEU 21 11.374 1.905 5.598
190 H ALA 22 H ALA 22 13.207 -1.776 1.010
191 HA ALA 22 HA ALA 22 15.557 -3.005 1.755
192 HB1 ALA 22 1HB ALA 22 14.996 -4.442 -0.453
193 HB2 ALA 22 2HB ALA 22 13.470 -3.574 -0.276
194 HB3 ALA 22 3HB ALA 22 14.070 -4.582 1.042
195 H LEU 23 H LEU 23 14.888 -1.325 -1.256
196 HA LEU 23 HA LEU 23 17.587 -1.856 -2.239
197 HB2 LEU 23 2HB LEU 23 15.072 -0.759 -3.404
198 HB3 LEU 23 1HB LEU 23 16.602 -0.281 -4.140
199 HG LEU 23 HG LEU 23 17.204 -2.716 -4.310
200 HD11 LEU 23 1HD1 LEU 23 15.986 -4.237 -3.198
201 HD12 LEU 23 2HD1 LEU 23 14.576 -3.817 -4.172
202 HD13 LEU 23 3HD1 LEU 23 14.881 -2.978 -2.656
203 HD21 LEU 23 3HD2 LEU 23 16.070 -1.356 -6.148
204 HD22 LEU 23 1HD2 LEU 23 14.561 -2.127 -5.661
205 HD23 LEU 23 2HD2 LEU 23 15.895 -3.109 -6.267
206 H LYS 24 H LYS 24 15.590 0.906 -1.388
207 HA LYS 24 HA LYS 24 17.489 2.901 -1.922
208 HB2 LYS 24 2HB LYS 24 15.099 3.375 -1.615
209 HB3 LYS 24 1HB LYS 24 15.235 2.950 0.091
210 HG2 LYS 24 2HG LYS 24 17.137 4.992 -0.965
211 HG3 LYS 24 1HG LYS 24 15.458 5.482 -0.770
212 HD2 LYS 24 2HD LYS 24 15.554 5.416 1.498
213 HD3 LYS 24 1HD LYS 24 16.537 3.958 1.518
214 HE2 LYS 24 2HE LYS 24 17.412 6.822 1.297
215 HE3 LYS 24 1HE LYS 24 17.994 5.564 2.380
216 HZ1 LYS 24 1HZ LYS 24 18.580 5.920 -0.500
217 HZ2 LYS 24 2HZ LYS 24 18.828 4.426 0.277
218 HZ3 LYS 24 3HZ LYS 24 19.666 5.806 0.794
219 H LYS 25 H LYS 25 16.718 1.267 1.127
220 HA LYS 25 HA LYS 25 18.439 2.670 2.790
221 HB2 LYS 25 2HB LYS 25 16.773 0.914 3.510
222 HB3 LYS 25 1HB LYS 25 17.945 -0.306 3.003
223 HG2 LYS 25 2HG LYS 25 18.934 1.870 4.798
224 HG3 LYS 25 1HG LYS 25 17.880 0.651 5.514
225 HD2 LYS 25 2HD LYS 25 19.362 -1.140 4.705
226 HD3 LYS 25 1HD LYS 25 20.413 0.056 3.949
227 HE2 LYS 25 2HE LYS 25 19.795 0.002 6.916
228 HE3 LYS 25 1HE LYS 25 21.217 -0.751 6.200
229 HZ1 LYS 25 3HZ LYS 25 20.524 2.122 5.919
230 HZ2 LYS 25 1HZ LYS 25 21.948 1.369 5.370
231 HZ3 LYS 25 2HZ LYS 25 21.632 1.503 7.039
232 H ALA 26 H ALA 26 20.556 2.768 3.071
233 HA ALA 26 HA ALA 26 22.311 0.621 2.240
234 HB1 ALA 26 1HB ALA 26 22.861 1.465 0.231
235 HB2 ALA 26 2HB ALA 26 23.516 2.883 1.043
236 HB3 ALA 26 3HB ALA 26 21.840 2.875 0.493
Start of MODEL 10
1 H1 LYS 1 1HT LYS 1 16.640 -7.460 -11.998
2 H2 LYS 1 2HT LYS 1 15.950 -6.841 -10.575
3 H3 LYS 1 3HT LYS 1 16.856 -5.829 -11.589
4 HA LYS 1 HA LYS 1 15.229 -5.848 -13.261
5 HB2 LYS 1 2HB LYS 1 13.042 -7.239 -12.425
6 HB3 LYS 1 1HB LYS 1 14.238 -7.879 -13.545
7 HG2 LYS 1 2HG LYS 1 14.213 -9.589 -12.005
8 HG3 LYS 1 1HG LYS 1 15.455 -8.592 -11.270
9 HD2 LYS 1 2HD LYS 1 13.959 -7.710 -9.655
10 HD3 LYS 1 1HD LYS 1 12.541 -8.227 -10.570
11 HE2 LYS 1 2HE LYS 1 14.521 -10.012 -9.119
12 HE3 LYS 1 1HE LYS 1 12.832 -9.738 -8.694
13 HZ1 LYS 1 2HZ LYS 1 12.349 -10.599 -11.035
14 HZ2 LYS 1 3HZ LYS 1 12.802 -11.731 -9.859
15 HZ3 LYS 1 1HZ LYS 1 13.930 -11.210 -11.009
16 H LYS 2 H LYS 2 13.801 -4.194 -13.153
17 HA LYS 2 HA LYS 2 13.035 -3.266 -10.457
18 HB2 LYS 2 2HB LYS 2 13.724 -1.871 -13.014
19 HB3 LYS 2 1HB LYS 2 12.617 -1.082 -11.890
20 HG2 LYS 2 2HG LYS 2 15.216 -2.236 -10.886
21 HG3 LYS 2 1HG LYS 2 15.202 -0.659 -11.677
22 HD2 LYS 2 2HD LYS 2 13.061 -0.486 -9.919
23 HD3 LYS 2 1HD LYS 2 14.249 -1.412 -9.005
24 HE2 LYS 2 2HE LYS 2 14.491 1.363 -10.146
25 HE3 LYS 2 1HE LYS 2 14.801 0.818 -8.500
26 HZ1 LYS 2 3HZ LYS 2 16.572 0.934 -10.720
27 HZ2 LYS 2 1HZ LYS 2 16.524 -0.633 -10.077
28 HZ3 LYS 2 2HZ LYS 2 16.918 0.680 -9.080
29 H ALA 3 H ALA 3 11.847 -3.658 -13.793
30 HA ALA 3 HA ALA 3 9.709 -3.766 -14.661
31 HB1 ALA 3 1HB ALA 3 8.893 -4.768 -11.921
32 HB2 ALA 3 2HB ALA 3 9.739 -5.784 -13.093
33 HB3 ALA 3 3HB ALA 3 8.144 -5.136 -13.475
34 H LEU 4 H LEU 4 10.598 -1.339 -13.451
35 HA LEU 4 HA LEU 4 8.824 -0.062 -11.745
36 HB2 LEU 4 2HB LEU 4 10.800 0.742 -13.771
37 HB3 LEU 4 1HB LEU 4 9.526 1.929 -13.500
38 HG LEU 4 HG LEU 4 11.048 0.639 -11.233
39 HD11 LEU 4 1HD1 LEU 4 12.666 1.779 -12.669
40 HD12 LEU 4 2HD1 LEU 4 12.420 2.705 -11.190
41 HD13 LEU 4 3HD1 LEU 4 11.659 3.230 -12.691
42 HD21 LEU 4 3HD2 LEU 4 10.233 3.221 -10.570
43 HD22 LEU 4 1HD2 LEU 4 9.454 1.721 -10.073
44 HD23 LEU 4 2HD2 LEU 4 8.883 2.579 -11.505
45 H LEU 5 H LEU 5 8.905 0.249 -15.226
46 HA LEU 5 HA LEU 5 6.536 1.570 -15.671
47 HB2 LEU 5 2HB LEU 5 7.454 -0.697 -17.442
48 HB3 LEU 5 1HB LEU 5 6.556 0.741 -17.915
49 HG LEU 5 HG LEU 5 8.686 1.348 -18.585
50 HD11 LEU 5 1HD1 LEU 5 9.052 2.158 -15.707
51 HD12 LEU 5 2HD1 LEU 5 7.765 2.862 -16.684
52 HD13 LEU 5 3HD1 LEU 5 9.448 3.055 -17.172
53 HD21 LEU 5 3HD2 LEU 5 10.296 0.530 -16.277
54 HD22 LEU 5 1HD2 LEU 5 10.555 0.225 -17.994
55 HD23 LEU 5 2HD2 LEU 5 9.491 -0.828 -17.063
56 H ALA 6 H ALA 6 7.048 -1.882 -15.322
57 HA ALA 6 HA ALA 6 4.356 -2.678 -15.692
58 HB1 ALA 6 1HB ALA 6 5.297 -4.712 -15.588
59 HB2 ALA 6 2HB ALA 6 5.679 -4.457 -13.883
60 HB3 ALA 6 3HB ALA 6 6.826 -3.963 -15.124
61 H LEU 7 H LEU 7 6.288 -2.009 -12.829
62 HA LEU 7 HA LEU 7 4.302 -2.507 -10.892
63 HB2 LEU 7 2HB LEU 7 6.645 -2.245 -10.265
64 HB3 LEU 7 1HB LEU 7 6.631 -0.576 -10.828
65 HG LEU 7 HG LEU 7 4.572 -1.348 -8.804
66 HD11 LEU 7 1HD1 LEU 7 6.399 -0.723 -7.054
67 HD12 LEU 7 2HD1 LEU 7 7.536 -1.194 -8.318
68 HD13 LEU 7 3HD1 LEU 7 6.374 -2.368 -7.696
69 HD21 LEU 7 3HD2 LEU 7 6.171 1.066 -9.607
70 HD22 LEU 7 1HD2 LEU 7 5.508 0.985 -7.971
71 HD23 LEU 7 2HD2 LEU 7 4.432 0.912 -9.367
72 H ALA 8 H ALA 8 5.441 0.567 -12.181
73 HA ALA 8 HA ALA 8 3.607 2.334 -11.150
74 HB1 ALA 8 1HB ALA 8 4.473 2.389 -14.042
75 HB2 ALA 8 2HB ALA 8 5.544 2.841 -12.717
76 HB3 ALA 8 3HB ALA 8 4.071 3.762 -13.010
77 H LEU 9 H LEU 9 3.345 0.487 -14.099
78 HA LEU 9 HA LEU 9 0.758 1.229 -14.870
79 HB2 LEU 9 2HB LEU 9 2.231 0.015 -16.368
80 HB3 LEU 9 1HB LEU 9 2.236 -1.378 -15.291
81 HG LEU 9 HG LEU 9 -0.386 -0.334 -16.311
82 HD11 LEU 9 1HD1 LEU 9 -0.177 -1.782 -18.294
83 HD12 LEU 9 2HD1 LEU 9 1.486 -2.154 -17.846
84 HD13 LEU 9 3HD1 LEU 9 1.045 -0.512 -18.306
85 HD21 LEU 9 3HD2 LEU 9 -0.912 -2.110 -14.984
86 HD22 LEU 9 1HD2 LEU 9 0.710 -2.791 -15.079
87 HD23 LEU 9 2HD2 LEU 9 -0.441 -3.065 -16.388
88 H HIS 10 H HIS 10 1.796 -1.679 -13.169
89 HA HIS 10 HA HIS 10 -0.687 -2.732 -12.501
90 HB2 HIS 10 2HB HIS 10 1.613 -3.776 -12.173
91 HB3 HIS 10 1HB HIS 10 1.720 -2.839 -10.682
92 HD1 HIS 10 1HD HIS 10 -0.421 -5.507 -12.328
93 HD2 HIS 10 2HD HIS 10 0.258 -3.900 -8.534
94 HE1 HIS 10 1HE HIS 10 -1.657 -6.988 -10.682
95 HE2 HIS 10 2HE HIS 10 -1.276 -6.009 -8.371
96 H HIS 11 H HIS 11 1.337 -0.514 -10.661
97 HA HIS 11 HA HIS 11 -0.758 1.041 -9.628
98 HB2 HIS 11 2HB HIS 11 -0.763 0.338 -7.262
99 HB3 HIS 11 1HB HIS 11 -1.369 -0.936 -8.315
100 HD1 HIS 11 1HD HIS 11 -0.353 -1.903 -5.696
101 HD2 HIS 11 2HD HIS 11 2.241 -1.305 -8.906
102 HE1 HIS 11 1HE HIS 11 1.681 -3.339 -5.248
103 HE2 HIS 11 2HE HIS 11 3.280 -2.978 -7.193
104 H LEU 12 H LEU 12 1.037 0.870 -6.926
105 HA LEU 12 HA LEU 12 3.531 1.936 -7.824
106 HB2 LEU 12 2HB LEU 12 1.343 3.763 -7.703
107 HB3 LEU 12 1HB LEU 12 2.462 4.156 -6.402
108 HG LEU 12 HG LEU 12 3.541 3.593 -9.151
109 HD11 LEU 12 1HD1 LEU 12 2.127 6.087 -8.217
110 HD12 LEU 12 2HD1 LEU 12 1.991 5.251 -9.766
111 HD13 LEU 12 3HD1 LEU 12 3.438 6.187 -9.392
112 HD21 LEU 12 3HD2 LEU 12 4.964 3.892 -7.043
113 HD22 LEU 12 1HD2 LEU 12 4.447 5.577 -7.050
114 HD23 LEU 12 2HD2 LEU 12 5.374 4.934 -8.404
115 H ALA 13 H ALA 13 1.558 2.975 -5.113
116 HA ALA 13 HA ALA 13 3.666 2.481 -3.252
117 HB1 ALA 13 1HB ALA 13 1.977 4.281 -2.981
118 HB2 ALA 13 2HB ALA 13 2.101 3.239 -1.565
119 HB3 ALA 13 3HB ALA 13 0.752 3.048 -2.685
120 H HIS 14 H HIS 14 2.642 1.458 -1.069
121 HA HIS 14 HA HIS 14 2.073 -0.414 0.113
122 HB2 HIS 14 2HB HIS 14 0.878 -1.341 -2.510
123 HB3 HIS 14 1HB HIS 14 0.653 -2.101 -0.946
124 HD1 HIS 14 1HD HIS 14 -1.426 -0.409 -2.958
125 HD2 HIS 14 2HD HIS 14 0.004 0.636 0.824
126 HE1 HIS 14 1HE HIS 14 -3.060 1.284 -2.016
127 HE2 HIS 14 2HE HIS 14 -2.183 1.963 0.279
128 H LEU 15 H LEU 15 3.179 -0.965 -3.114
129 HA LEU 15 HA LEU 15 4.860 -3.205 -2.158
130 HB2 LEU 15 2HB LEU 15 3.462 -2.614 -4.665
131 HB3 LEU 15 1HB LEU 15 5.116 -3.179 -4.889
132 HG LEU 15 HG LEU 15 3.003 -4.591 -3.221
133 HD11 LEU 15 1HD1 LEU 15 3.780 -4.738 -6.067
134 HD12 LEU 15 2HD1 LEU 15 2.296 -5.272 -5.281
135 HD13 LEU 15 3HD1 LEU 15 3.730 -6.296 -5.245
136 HD21 LEU 15 3HD2 LEU 15 5.918 -5.086 -3.789
137 HD22 LEU 15 1HD2 LEU 15 4.838 -6.454 -3.514
138 HD23 LEU 15 2HD2 LEU 15 5.040 -5.228 -2.264
139 H ALA 16 H ALA 16 4.985 -0.005 -2.809
140 HA ALA 16 HA ALA 16 7.678 -0.028 -3.946
141 HB1 ALA 16 1HB ALA 16 7.398 2.477 -3.913
142 HB2 ALA 16 2HB ALA 16 5.753 2.209 -3.336
143 HB3 ALA 16 3HB ALA 16 6.244 1.606 -4.917
144 H LEU 17 H LEU 17 6.169 1.616 -1.213
145 HA LEU 17 HA LEU 17 8.249 2.695 0.093
146 HB2 LEU 17 2HB LEU 17 6.992 1.845 2.251
147 HB3 LEU 17 1HB LEU 17 6.272 3.059 1.199
148 HG LEU 17 HG LEU 17 5.682 0.334 0.303
149 HD11 LEU 17 1HD1 LEU 17 4.094 -0.154 2.157
150 HD12 LEU 17 2HD1 LEU 17 4.755 1.214 3.051
151 HD13 LEU 17 3HD1 LEU 17 5.776 -0.177 2.693
152 HD21 LEU 17 3HD2 LEU 17 3.334 1.338 0.501
153 HD22 LEU 17 1HD2 LEU 17 4.442 2.175 -0.586
154 HD23 LEU 17 2HD2 LEU 17 4.119 2.827 1.021
155 H HIS 18 H HIS 18 7.068 -0.473 0.923
156 HA HIS 18 HA HIS 18 9.142 -1.257 2.598
157 HB2 HIS 18 2HB HIS 18 8.234 -3.421 2.475
158 HB3 HIS 18 1HB HIS 18 6.894 -2.351 2.093
159 HD1 HIS 18 1HD HIS 18 8.672 -5.219 0.763
160 HD2 HIS 18 2HD HIS 18 6.542 -2.000 -0.821
161 HE1 HIS 18 1HE HIS 18 8.144 -5.824 -1.641
162 HE2 HIS 18 2HE HIS 18 6.839 -3.875 -2.622
163 H LEU 19 H LEU 19 8.784 -1.766 -0.847
164 HA LEU 19 HA LEU 19 11.244 -3.176 -1.172
165 HB2 LEU 19 2HB LEU 19 9.493 -3.462 -2.824
166 HB3 LEU 19 1HB LEU 19 9.455 -1.731 -3.147
167 HG LEU 19 HG LEU 19 11.885 -1.916 -3.858
168 HD11 LEU 19 1HD1 LEU 19 12.271 -4.098 -2.684
169 HD12 LEU 19 2HD1 LEU 19 12.760 -4.116 -4.380
170 HD13 LEU 19 3HD1 LEU 19 11.248 -4.879 -3.890
171 HD21 LEU 19 3HD2 LEU 19 11.257 -2.337 -6.042
172 HD22 LEU 19 1HD2 LEU 19 9.669 -2.093 -5.318
173 HD23 LEU 19 2HD2 LEU 19 10.264 -3.728 -5.603
174 H ALA 20 H ALA 20 10.210 0.109 -1.171
175 HA ALA 20 HA ALA 20 12.408 1.344 -2.418
176 HB1 ALA 20 1HB ALA 20 10.187 2.410 -1.618
177 HB2 ALA 20 2HB ALA 20 11.657 3.374 -1.491
178 HB3 ALA 20 3HB ALA 20 11.000 2.579 -0.061
179 H LEU 21 H LEU 21 11.800 0.816 1.024
180 HA LEU 21 HA LEU 21 14.301 1.642 1.981
181 HB2 LEU 21 2HB LEU 21 12.398 -0.466 3.029
182 HB3 LEU 21 1HB LEU 21 13.803 0.118 3.923
183 HG LEU 21 HG LEU 21 11.779 2.070 2.840
184 HD11 LEU 21 1HD1 LEU 21 10.666 0.215 4.213
185 HD12 LEU 21 2HD1 LEU 21 10.416 1.868 4.770
186 HD13 LEU 21 3HD1 LEU 21 11.583 0.833 5.589
187 HD21 LEU 21 3HD2 LEU 21 13.793 2.017 5.109
188 HD22 LEU 21 1HD2 LEU 21 12.569 3.279 4.958
189 HD23 LEU 21 2HD2 LEU 21 13.783 3.074 3.698
190 H ALA 22 H ALA 22 13.122 -1.581 1.190
191 HA ALA 22 HA ALA 22 15.472 -3.013 1.597
192 HB1 ALA 22 1HB ALA 22 13.479 -3.639 -0.576
193 HB2 ALA 22 2HB ALA 22 13.167 -3.959 1.130
194 HB3 ALA 22 3HB ALA 22 14.502 -4.770 0.312
195 H LEU 23 H LEU 23 14.260 -1.559 -1.377
196 HA LEU 23 HA LEU 23 16.504 -2.277 -2.961
197 HB2 LEU 23 2HB LEU 23 14.320 -1.702 -3.937
198 HB3 LEU 23 1HB LEU 23 14.507 -0.041 -3.377
199 HG LEU 23 HG LEU 23 16.764 -1.145 -4.964
200 HD11 LEU 23 1HD1 LEU 23 14.119 -0.407 -6.252
201 HD12 LEU 23 2HD1 LEU 23 14.787 -2.037 -6.160
202 HD13 LEU 23 3HD1 LEU 23 15.613 -0.795 -7.102
203 HD21 LEU 23 3HD2 LEU 23 17.206 1.067 -4.880
204 HD22 LEU 23 1HD2 LEU 23 15.608 1.422 -4.228
205 HD23 LEU 23 2HD2 LEU 23 15.844 1.321 -5.972
206 H LYS 24 H LYS 24 15.574 0.740 -1.370
207 HA LYS 24 HA LYS 24 17.811 2.260 -2.118
208 HB2 LYS 24 2HB LYS 24 15.716 3.114 -0.962
209 HB3 LYS 24 1HB LYS 24 16.393 2.490 0.541
210 HG2 LYS 24 2HG LYS 24 18.520 3.852 -0.171
211 HG3 LYS 24 1HG LYS 24 17.388 4.729 -1.197
212 HD2 LYS 24 2HD LYS 24 16.757 5.949 0.581
213 HD3 LYS 24 1HD LYS 24 16.148 4.488 1.351
214 HE2 LYS 24 2HE LYS 24 17.835 5.700 2.744
215 HE3 LYS 24 1HE LYS 24 18.321 4.052 2.352
216 HZ1 LYS 24 3HZ LYS 24 20.075 5.774 2.054
217 HZ2 LYS 24 1HZ LYS 24 19.163 6.424 0.785
218 HZ3 LYS 24 2HZ LYS 24 19.773 4.846 0.666
219 H LYS 25 H LYS 25 17.243 0.290 0.748
220 HA LYS 25 HA LYS 25 19.829 0.675 1.878
221 HB2 LYS 25 2HB LYS 25 17.933 -0.080 3.230
222 HB3 LYS 25 1HB LYS 25 17.824 -1.564 2.286
223 HG2 LYS 25 2HG LYS 25 20.493 -0.968 3.455
224 HG3 LYS 25 1HG LYS 25 19.221 -1.390 4.603
225 HD2 LYS 25 2HD LYS 25 19.084 -3.545 3.865
226 HD3 LYS 25 1HD LYS 25 19.359 -3.098 2.183
227 HE2 LYS 25 2HE LYS 25 21.493 -3.190 4.328
228 HE3 LYS 25 1HE LYS 25 21.227 -4.431 3.107
229 HZ1 LYS 25 3HZ LYS 25 22.911 -2.399 2.787
230 HZ2 LYS 25 1HZ LYS 25 21.520 -1.721 2.101
231 HZ3 LYS 25 2HZ LYS 25 22.133 -3.183 1.490
232 H ALA 26 H ALA 26 18.377 -2.022 0.076
233 HA ALA 26 HA ALA 26 19.265 -3.604 -1.301
234 HB1 ALA 26 1HB ALA 26 21.843 -2.038 -1.308
235 HB2 ALA 26 2HB ALA 26 20.446 -1.566 -2.272
236 HB3 ALA 26 3HB ALA 26 21.221 -3.122 -2.553
Start of MODEL 11
1 H1 LYS 1 1HT LYS 1 15.567 -10.837 -3.736
2 H2 LYS 1 2HT LYS 1 15.718 -9.703 -2.486
3 H3 LYS 1 3HT LYS 1 15.245 -9.201 -4.030
4 HA LYS 1 HA LYS 1 13.319 -10.928 -3.603
5 HB2 LYS 1 2HB LYS 1 14.566 -10.353 -0.986
6 HB3 LYS 1 1HB LYS 1 12.823 -10.088 -1.030
7 HG2 LYS 1 2HG LYS 1 12.372 -12.301 -1.189
8 HG3 LYS 1 1HG LYS 1 13.644 -12.565 -2.378
9 HD2 LYS 1 2HD LYS 1 15.335 -12.502 -0.543
10 HD3 LYS 1 1HD LYS 1 14.021 -12.329 0.624
11 HE2 LYS 1 2HE LYS 1 14.668 -14.703 -1.131
12 HE3 LYS 1 1HE LYS 1 14.469 -14.654 0.619
13 HZ1 LYS 1 2HZ LYS 1 12.099 -13.938 0.107
14 HZ2 LYS 1 3HZ LYS 1 12.495 -15.562 -0.166
15 HZ3 LYS 1 1HZ LYS 1 12.390 -14.489 -1.474
16 H LYS 2 H LYS 2 11.243 -9.760 -2.876
17 HA LYS 2 HA LYS 2 9.826 -7.962 -3.048
18 HB2 LYS 2 2HB LYS 2 12.293 -6.285 -2.503
19 HB3 LYS 2 1HB LYS 2 10.615 -5.762 -2.366
20 HG2 LYS 2 2HG LYS 2 11.019 -8.201 -0.862
21 HG3 LYS 2 1HG LYS 2 12.175 -6.972 -0.351
22 HD2 LYS 2 2HD LYS 2 10.495 -5.482 0.317
23 HD3 LYS 2 1HD LYS 2 9.275 -6.240 -0.709
24 HE2 LYS 2 2HE LYS 2 9.230 -6.673 1.891
25 HE3 LYS 2 1HE LYS 2 8.930 -8.007 0.779
26 HZ1 LYS 2 3HZ LYS 2 11.634 -7.361 1.794
27 HZ2 LYS 2 1HZ LYS 2 11.116 -8.784 1.032
28 HZ3 LYS 2 2HZ LYS 2 10.587 -8.430 2.606
29 H ALA 3 H ALA 3 12.962 -7.138 -4.566
30 HA ALA 3 HA ALA 3 11.830 -5.574 -6.654
31 HB1 ALA 3 1HB ALA 3 14.131 -5.232 -6.158
32 HB2 ALA 3 2HB ALA 3 14.091 -5.978 -7.755
33 HB3 ALA 3 3HB ALA 3 14.503 -6.943 -6.340
34 H LEU 4 H LEU 4 10.199 -7.675 -6.654
35 HA LEU 4 HA LEU 4 10.662 -8.870 -9.282
36 HB2 LEU 4 2HB LEU 4 10.596 -10.394 -6.720
37 HB3 LEU 4 1HB LEU 4 9.686 -11.069 -8.073
38 HG LEU 4 HG LEU 4 12.539 -10.144 -8.430
39 HD11 LEU 4 1HD1 LEU 4 11.551 -12.845 -7.466
40 HD12 LEU 4 2HD1 LEU 4 12.652 -11.759 -6.622
41 HD13 LEU 4 3HD1 LEU 4 13.171 -12.562 -8.105
42 HD21 LEU 4 3HD2 LEU 4 12.473 -11.581 -10.358
43 HD22 LEU 4 1HD2 LEU 4 10.972 -10.652 -10.383
44 HD23 LEU 4 2HD2 LEU 4 10.963 -12.323 -9.829
45 H LEU 5 H LEU 5 8.415 -9.875 -6.793
46 HA LEU 5 HA LEU 5 6.110 -9.751 -8.318
47 HB2 LEU 5 2HB LEU 5 5.308 -9.032 -5.703
48 HB3 LEU 5 1HB LEU 5 5.300 -10.642 -6.417
49 HG LEU 5 HG LEU 5 7.795 -9.466 -5.170
50 HD11 LEU 5 1HD1 LEU 5 5.915 -9.527 -3.509
51 HD12 LEU 5 2HD1 LEU 5 7.242 -10.616 -3.107
52 HD13 LEU 5 3HD1 LEU 5 5.759 -11.256 -3.816
53 HD21 LEU 5 3HD2 LEU 5 7.240 -11.801 -6.651
54 HD22 LEU 5 1HD2 LEU 5 7.378 -12.327 -4.976
55 HD23 LEU 5 2HD2 LEU 5 8.707 -11.455 -5.739
56 H ALA 6 H ALA 6 7.463 -7.306 -6.177
57 HA ALA 6 HA ALA 6 5.537 -5.315 -6.556
58 HB1 ALA 6 1HB ALA 6 7.207 -3.745 -5.768
59 HB2 ALA 6 2HB ALA 6 8.503 -4.881 -6.132
60 HB3 ALA 6 3HB ALA 6 7.356 -5.235 -4.841
61 H LEU 7 H LEU 7 8.376 -6.179 -8.424
62 HA LEU 7 HA LEU 7 8.193 -3.987 -10.258
63 HB2 LEU 7 2HB LEU 7 10.328 -4.954 -10.201
64 HB3 LEU 7 1HB LEU 7 9.690 -6.596 -10.201
65 HG LEU 7 HG LEU 7 8.901 -6.245 -12.552
66 HD11 LEU 7 1HD1 LEU 7 9.623 -4.318 -13.796
67 HD12 LEU 7 2HD1 LEU 7 10.574 -3.723 -12.437
68 HD13 LEU 7 3HD1 LEU 7 8.811 -3.725 -12.353
69 HD21 LEU 7 3HD2 LEU 7 11.827 -5.901 -11.873
70 HD22 LEU 7 1HD2 LEU 7 11.270 -6.141 -13.529
71 HD23 LEU 7 2HD2 LEU 7 10.980 -7.384 -12.314
72 H ALA 8 H ALA 8 7.094 -7.299 -10.191
73 HA ALA 8 HA ALA 8 5.974 -7.393 -12.798
74 HB1 ALA 8 1HB ALA 8 4.745 -9.358 -11.975
75 HB2 ALA 8 2HB ALA 8 5.218 -8.960 -10.325
76 HB3 ALA 8 3HB ALA 8 6.444 -9.423 -11.504
77 H LEU 9 H LEU 9 4.349 -7.191 -9.674
78 HA LEU 9 HA LEU 9 1.818 -6.483 -10.733
79 HB2 LEU 9 2HB LEU 9 1.650 -7.311 -8.573
80 HB3 LEU 9 1HB LEU 9 3.083 -6.452 -8.020
81 HG LEU 9 HG LEU 9 1.782 -4.294 -8.232
82 HD11 LEU 9 1HD1 LEU 9 -0.636 -4.421 -8.448
83 HD12 LEU 9 2HD1 LEU 9 -0.578 -6.182 -8.496
84 HD13 LEU 9 3HD1 LEU 9 0.080 -5.241 -9.836
85 HD21 LEU 9 3HD2 LEU 9 0.906 -4.522 -6.091
86 HD22 LEU 9 1HD2 LEU 9 1.985 -5.916 -6.147
87 HD23 LEU 9 2HD2 LEU 9 0.256 -6.126 -6.415
88 H HIS 10 H HIS 10 4.580 -4.666 -9.678
89 HA HIS 10 HA HIS 10 5.148 -2.553 -10.677
90 HB2 HIS 10 2HB HIS 10 2.926 -2.436 -11.874
91 HB3 HIS 10 1HB HIS 10 2.238 -1.793 -10.381
92 HD1 HIS 10 1HD HIS 10 2.038 0.149 -12.537
93 HD2 HIS 10 2HD HIS 10 5.607 -0.230 -10.410
94 HE1 HIS 10 1HE HIS 10 3.304 2.325 -12.853
95 HE2 HIS 10 2HE HIS 10 5.480 2.112 -11.558
96 H HIS 11 H HIS 11 6.294 -1.714 -9.117
97 HA HIS 11 HA HIS 11 5.500 -1.595 -6.393
98 HB2 HIS 11 2HB HIS 11 7.576 0.198 -6.584
99 HB3 HIS 11 1HB HIS 11 7.768 -1.542 -6.378
100 HD1 HIS 11 1HD HIS 11 7.639 1.096 -9.103
101 HD2 HIS 11 2HD HIS 11 8.903 -2.849 -8.575
102 HE1 HIS 11 1HE HIS 11 8.858 0.436 -11.229
103 HE2 HIS 11 2HE HIS 11 9.632 -1.968 -10.922
104 H LEU 12 H LEU 12 3.466 -0.455 -7.728
105 HA LEU 12 HA LEU 12 3.710 2.459 -7.486
106 HB2 LEU 12 2HB LEU 12 2.635 1.443 -9.497
107 HB3 LEU 12 1HB LEU 12 1.394 0.763 -8.447
108 HG LEU 12 HG LEU 12 1.421 3.429 -7.696
109 HD11 LEU 12 1HD1 LEU 12 2.908 3.557 -9.901
110 HD12 LEU 12 2HD1 LEU 12 1.716 4.802 -9.535
111 HD13 LEU 12 3HD1 LEU 12 1.331 3.521 -10.683
112 HD21 LEU 12 3HD2 LEU 12 -0.665 2.385 -7.954
113 HD22 LEU 12 1HD2 LEU 12 -0.264 1.761 -9.555
114 HD23 LEU 12 2HD2 LEU 12 -0.638 3.471 -9.342
115 H ALA 13 H ALA 13 2.070 -0.316 -6.155
116 HA ALA 13 HA ALA 13 0.508 1.260 -4.281
117 HB1 ALA 13 1HB ALA 13 0.828 -1.734 -4.202
118 HB2 ALA 13 2HB ALA 13 -0.211 -0.956 -5.396
119 HB3 ALA 13 3HB ALA 13 -0.542 -0.753 -3.677
120 H HIS 14 H HIS 14 0.520 -0.035 -1.994
121 HA HIS 14 HA HIS 14 2.523 0.951 -0.434
122 HB2 HIS 14 2HB HIS 14 0.866 -1.541 -0.128
123 HB3 HIS 14 1HB HIS 14 1.955 -0.968 1.126
124 HD1 HIS 14 1HD HIS 14 -0.481 -0.721 2.415
125 HD2 HIS 14 2HD HIS 14 0.364 2.049 -0.592
126 HE1 HIS 14 1HE HIS 14 -2.088 1.209 2.734
127 HE2 HIS 14 2HE HIS 14 -1.590 2.901 0.910
128 H LEU 15 H LEU 15 2.574 -2.023 -2.230
129 HA LEU 15 HA LEU 15 4.759 -3.333 -1.107
130 HB2 LEU 15 2HB LEU 15 3.461 -3.322 -3.780
131 HB3 LEU 15 1HB LEU 15 5.109 -3.949 -3.709
132 HG LEU 15 HG LEU 15 3.095 -4.839 -1.664
133 HD11 LEU 15 1HD1 LEU 15 3.282 -5.665 -4.549
134 HD12 LEU 15 2HD1 LEU 15 1.845 -5.437 -3.555
135 HD13 LEU 15 3HD1 LEU 15 2.854 -6.864 -3.332
136 HD21 LEU 15 3HD2 LEU 15 5.616 -5.954 -2.920
137 HD22 LEU 15 1HD2 LEU 15 4.548 -6.935 -1.921
138 HD23 LEU 15 2HD2 LEU 15 5.347 -5.527 -1.232
139 H ALA 16 H ALA 16 4.562 -0.400 -2.724
140 HA ALA 16 HA ALA 16 7.100 -0.258 -3.918
141 HB1 ALA 16 1HB ALA 16 5.197 1.196 -4.490
142 HB2 ALA 16 2HB ALA 16 6.634 2.128 -4.071
143 HB3 ALA 16 3HB ALA 16 5.323 1.959 -2.906
144 H LEU 17 H LEU 17 5.953 1.432 -1.029
145 HA LEU 17 HA LEU 17 8.219 2.560 -0.106
146 HB2 LEU 17 2HB LEU 17 7.361 2.434 2.153
147 HB3 LEU 17 1HB LEU 17 6.035 2.735 1.036
148 HG LEU 17 HG LEU 17 6.009 0.017 1.104
149 HD11 LEU 17 1HD1 LEU 17 6.232 0.426 3.997
150 HD12 LEU 17 2HD1 LEU 17 7.773 0.650 3.165
151 HD13 LEU 17 3HD1 LEU 17 6.892 -0.866 3.000
152 HD21 LEU 17 3HD2 LEU 17 4.089 0.255 2.595
153 HD22 LEU 17 1HD2 LEU 17 4.116 1.599 1.449
154 HD23 LEU 17 2HD2 LEU 17 4.658 1.843 3.111
155 H HIS 18 H HIS 18 7.281 -0.760 0.474
156 HA HIS 18 HA HIS 18 9.524 -1.529 2.021
157 HB2 HIS 18 2HB HIS 18 8.292 -3.382 -0.005
158 HB3 HIS 18 1HB HIS 18 9.010 -3.773 1.549
159 HD1 HIS 18 1HD HIS 18 7.479 -3.741 3.582
160 HD2 HIS 18 2HD HIS 18 5.725 -2.116 0.171
161 HE1 HIS 18 1HE HIS 18 5.048 -3.317 4.166
162 HE2 HIS 18 2HE HIS 18 3.943 -2.352 2.085
163 H LEU 19 H LEU 19 8.902 -2.047 -1.388
164 HA LEU 19 HA LEU 19 11.421 -2.956 -2.148
165 HB2 LEU 19 2HB LEU 19 9.681 -3.237 -3.704
166 HB3 LEU 19 1HB LEU 19 9.180 -1.553 -3.584
167 HG LEU 19 HG LEU 19 11.963 -2.000 -4.537
168 HD11 LEU 19 1HD1 LEU 19 10.821 -3.830 -5.697
169 HD12 LEU 19 2HD1 LEU 19 11.195 -2.539 -6.838
170 HD13 LEU 19 3HD1 LEU 19 9.552 -2.729 -6.225
171 HD21 LEU 19 3HD2 LEU 19 11.218 0.236 -4.576
172 HD22 LEU 19 1HD2 LEU 19 9.620 -0.210 -5.174
173 HD23 LEU 19 2HD2 LEU 19 11.017 -0.288 -6.251
174 H ALA 20 H ALA 20 10.202 0.213 -1.522
175 HA ALA 20 HA ALA 20 12.329 1.677 -2.758
176 HB1 ALA 20 1HB ALA 20 11.315 3.578 -1.919
177 HB2 ALA 20 2HB ALA 20 10.844 2.788 -0.414
178 HB3 ALA 20 3HB ALA 20 9.952 2.461 -1.901
179 H LEU 21 H LEU 21 11.587 1.174 0.660
180 HA LEU 21 HA LEU 21 14.081 2.042 1.632
181 HB2 LEU 21 2HB LEU 21 11.880 0.340 2.754
182 HB3 LEU 21 1HB LEU 21 13.405 0.472 3.629
183 HG LEU 21 HG LEU 21 13.047 3.071 3.188
184 HD11 LEU 21 1HD1 LEU 21 11.080 2.964 1.835
185 HD12 LEU 21 2HD1 LEU 21 10.565 3.559 3.413
186 HD13 LEU 21 3HD1 LEU 21 10.276 1.877 2.972
187 HD21 LEU 21 3HD2 LEU 21 11.367 2.837 5.317
188 HD22 LEU 21 1HD2 LEU 21 13.116 2.660 5.425
189 HD23 LEU 21 2HD2 LEU 21 12.091 1.228 5.297
190 H ALA 22 H ALA 22 12.847 -1.180 0.948
191 HA ALA 22 HA ALA 22 15.088 -2.677 1.677
192 HB1 ALA 22 1HB ALA 22 13.228 -3.324 -0.615
193 HB2 ALA 22 2HB ALA 22 12.831 -3.602 1.081
194 HB3 ALA 22 3HB ALA 22 14.181 -4.460 0.338
195 H LEU 23 H LEU 23 14.365 -0.986 -1.318
196 HA LEU 23 HA LEU 23 16.423 -2.045 -2.892
197 HB2 LEU 23 2HB LEU 23 14.687 -0.686 -3.900
198 HB3 LEU 23 1HB LEU 23 15.169 0.705 -2.936
199 HG LEU 23 HG LEU 23 17.345 0.769 -4.067
200 HD11 LEU 23 1HD1 LEU 23 17.673 -1.610 -4.497
201 HD12 LEU 23 2HD1 LEU 23 17.738 -0.739 -6.025
202 HD13 LEU 23 3HD1 LEU 23 16.285 -1.635 -5.586
203 HD21 LEU 23 3HD2 LEU 23 15.667 2.079 -5.147
204 HD22 LEU 23 1HD2 LEU 23 14.896 0.651 -5.837
205 HD23 LEU 23 2HD2 LEU 23 16.467 1.181 -6.437
206 H LYS 24 H LYS 24 16.382 0.813 -0.811
207 HA LYS 24 HA LYS 24 19.126 1.468 -1.173
208 HB2 LYS 24 2HB LYS 24 17.115 2.118 0.985
209 HB3 LYS 24 1HB LYS 24 18.801 2.614 1.118
210 HG2 LYS 24 2HG LYS 24 18.075 4.473 0.013
211 HG3 LYS 24 1HG LYS 24 18.265 3.450 -1.411
212 HD2 LYS 24 2HD LYS 24 15.687 3.030 -0.087
213 HD3 LYS 24 1HD LYS 24 15.906 4.700 -0.605
214 HE2 LYS 24 2HE LYS 24 16.402 2.310 -2.396
215 HE3 LYS 24 1HE LYS 24 14.886 3.210 -2.361
216 HZ1 LYS 24 3HZ LYS 24 17.090 3.824 -3.857
217 HZ2 LYS 24 1HZ LYS 24 17.150 4.931 -2.576
218 HZ3 LYS 24 2HZ LYS 24 15.766 4.844 -3.550
219 H LYS 25 H LYS 25 17.442 0.026 1.556
220 HA LYS 25 HA LYS 25 19.334 -2.094 1.898
221 HB2 LYS 25 2HB LYS 25 19.595 -0.965 4.436
222 HB3 LYS 25 1HB LYS 25 20.846 -1.066 3.207
223 HG2 LYS 25 2HG LYS 25 20.792 1.222 3.823
224 HG3 LYS 25 1HG LYS 25 19.909 1.169 2.306
225 HD2 LYS 25 2HD LYS 25 17.774 1.185 3.490
226 HD3 LYS 25 1HD LYS 25 18.603 1.075 5.041
227 HE2 LYS 25 2HE LYS 25 18.352 3.412 3.182
228 HE3 LYS 25 1HE LYS 25 18.214 3.359 4.938
229 HZ1 LYS 25 3HZ LYS 25 20.584 3.056 5.107
230 HZ2 LYS 25 1HZ LYS 25 20.254 4.444 4.196
231 HZ3 LYS 25 2HZ LYS 25 20.744 3.019 3.414
232 H ALA 26 H ALA 26 17.711 -0.345 4.471
233 HA ALA 26 HA ALA 26 15.281 -1.795 4.442
234 HB1 ALA 26 1HB ALA 26 16.394 -3.736 5.175
235 HB2 ALA 26 2HB ALA 26 15.829 -3.006 6.678
236 HB3 ALA 26 3HB ALA 26 17.510 -2.821 6.189
Start of MODEL 12
1 H1 LYS 1 1HT LYS 1 -1.991 20.957 -7.684
2 H2 LYS 1 2HT LYS 1 -1.775 19.331 -8.120
3 H3 LYS 1 3HT LYS 1 -2.332 19.732 -6.568
4 HA LYS 1 HA LYS 1 -4.429 20.203 -7.259
5 HB2 LYS 1 2HB LYS 1 -4.875 20.715 -9.718
6 HB3 LYS 1 1HB LYS 1 -3.975 21.931 -8.822
7 HG2 LYS 1 2HG LYS 1 -2.186 21.705 -10.177
8 HG3 LYS 1 1HG LYS 1 -2.170 19.958 -9.954
9 HD2 LYS 1 2HD LYS 1 -4.215 19.993 -11.595
10 HD3 LYS 1 1HD LYS 1 -3.581 21.571 -12.052
11 HE2 LYS 1 2HE LYS 1 -2.352 18.864 -12.402
12 HE3 LYS 1 1HE LYS 1 -2.421 20.213 -13.532
13 HZ1 LYS 1 2HZ LYS 1 -0.774 20.174 -11.051
14 HZ2 LYS 1 3HZ LYS 1 -0.780 21.381 -12.250
15 HZ3 LYS 1 1HZ LYS 1 -0.187 19.833 -12.606
16 H LYS 2 H LYS 2 -5.737 18.516 -7.419
17 HA LYS 2 HA LYS 2 -6.446 16.362 -7.755
18 HB2 LYS 2 2HB LYS 2 -5.427 16.978 -10.538
19 HB3 LYS 2 1HB LYS 2 -6.540 15.676 -10.120
20 HG2 LYS 2 2HG LYS 2 -8.294 17.085 -10.110
21 HG3 LYS 2 1HG LYS 2 -7.466 18.191 -9.015
22 HD2 LYS 2 2HD LYS 2 -7.510 19.613 -10.800
23 HD3 LYS 2 1HD LYS 2 -6.109 18.686 -11.334
24 HE2 LYS 2 2HE LYS 2 -8.998 18.285 -12.165
25 HE3 LYS 2 1HE LYS 2 -7.644 18.767 -13.191
26 HZ1 LYS 2 3HZ LYS 2 -6.644 16.535 -12.391
27 HZ2 LYS 2 1HZ LYS 2 -7.804 16.527 -13.626
28 HZ3 LYS 2 2HZ LYS 2 -8.253 16.131 -12.039
29 H ALA 3 H ALA 3 -4.212 15.765 -10.286
30 HA ALA 3 HA ALA 3 -3.319 13.325 -9.434
31 HB1 ALA 3 1HB ALA 3 -1.915 15.349 -11.177
32 HB2 ALA 3 2HB ALA 3 -2.999 14.061 -11.700
33 HB3 ALA 3 3HB ALA 3 -1.421 13.666 -11.021
34 H LEU 4 H LEU 4 -2.885 13.573 -7.143
35 HA LEU 4 HA LEU 4 -0.053 13.939 -6.673
36 HB2 LEU 4 2HB LEU 4 -2.103 15.823 -5.646
37 HB3 LEU 4 1HB LEU 4 -0.919 15.250 -4.471
38 HG LEU 4 HG LEU 4 0.440 15.896 -6.934
39 HD11 LEU 4 1HD1 LEU 4 -1.521 17.933 -5.886
40 HD12 LEU 4 2HD1 LEU 4 -1.194 17.468 -7.557
41 HD13 LEU 4 3HD1 LEU 4 -0.020 18.435 -6.665
42 HD21 LEU 4 3HD2 LEU 4 1.777 17.267 -5.470
43 HD22 LEU 4 1HD2 LEU 4 1.331 15.818 -4.565
44 HD23 LEU 4 2HD2 LEU 4 0.490 17.341 -4.268
45 H LEU 5 H LEU 5 -2.518 14.082 -4.232
46 HA LEU 5 HA LEU 5 -1.591 11.830 -2.815
47 HB2 LEU 5 2HB LEU 5 -4.117 13.442 -2.797
48 HB3 LEU 5 1HB LEU 5 -4.094 11.905 -1.933
49 HG LEU 5 HG LEU 5 -2.125 12.655 -0.645
50 HD11 LEU 5 1HD1 LEU 5 -2.511 15.222 -2.212
51 HD12 LEU 5 2HD1 LEU 5 -1.129 14.129 -2.327
52 HD13 LEU 5 3HD1 LEU 5 -1.426 15.029 -0.841
53 HD21 LEU 5 3HD2 LEU 5 -4.205 13.122 0.401
54 HD22 LEU 5 1HD2 LEU 5 -4.570 14.433 -0.718
55 HD23 LEU 5 2HD2 LEU 5 -3.308 14.635 0.499
56 H ALA 6 H ALA 6 -4.530 12.209 -4.691
57 HA ALA 6 HA ALA 6 -5.304 9.537 -4.844
58 HB1 ALA 6 1HB ALA 6 -6.806 10.208 -6.527
59 HB2 ALA 6 2HB ALA 6 -5.724 11.478 -7.104
60 HB3 ALA 6 3HB ALA 6 -6.569 11.666 -5.568
61 H LEU 7 H LEU 7 -2.901 11.314 -6.629
62 HA LEU 7 HA LEU 7 -2.591 9.526 -8.805
63 HB2 LEU 7 2HB LEU 7 -1.594 11.713 -8.987
64 HB3 LEU 7 1HB LEU 7 -0.652 11.462 -7.525
65 HG LEU 7 HG LEU 7 0.474 9.510 -8.701
66 HD11 LEU 7 1HD1 LEU 7 -0.991 10.750 -11.040
67 HD12 LEU 7 2HD1 LEU 7 -1.148 9.101 -10.436
68 HD13 LEU 7 3HD1 LEU 7 0.352 9.622 -11.200
69 HD21 LEU 7 3HD2 LEU 7 1.456 11.823 -8.463
70 HD22 LEU 7 1HD2 LEU 7 0.815 12.195 -10.064
71 HD23 LEU 7 2HD2 LEU 7 2.030 10.933 -9.874
72 H ALA 8 H ALA 8 -0.672 9.926 -5.869
73 HA ALA 8 HA ALA 8 0.938 7.660 -6.094
74 HB1 ALA 8 1HB ALA 8 -0.231 8.798 -3.548
75 HB2 ALA 8 2HB ALA 8 1.190 9.452 -4.369
76 HB3 ALA 8 3HB ALA 8 1.233 7.822 -3.687
77 H LEU 9 H LEU 9 -2.091 8.089 -4.389
78 HA LEU 9 HA LEU 9 -2.527 5.487 -3.523
79 HB2 LEU 9 2HB LEU 9 -3.874 7.525 -2.903
80 HB3 LEU 9 1HB LEU 9 -4.665 7.410 -4.468
81 HG LEU 9 HG LEU 9 -5.734 6.305 -2.291
82 HD11 LEU 9 1HD1 LEU 9 -5.645 4.972 -5.018
83 HD12 LEU 9 2HD1 LEU 9 -6.757 6.240 -4.508
84 HD13 LEU 9 3HD1 LEU 9 -6.846 4.642 -3.772
85 HD21 LEU 9 3HD2 LEU 9 -3.598 4.920 -1.981
86 HD22 LEU 9 1HD2 LEU 9 -4.137 3.974 -3.375
87 HD23 LEU 9 2HD2 LEU 9 -5.124 4.045 -1.917
88 H HIS 10 H HIS 10 -3.481 7.005 -6.566
89 HA HIS 10 HA HIS 10 -4.957 5.035 -7.745
90 HB2 HIS 10 2HB HIS 10 -4.882 6.636 -9.314
91 HB3 HIS 10 1HB HIS 10 -3.372 7.277 -8.678
92 HD1 HIS 10 1HD HIS 10 -4.546 4.354 -10.852
93 HD2 HIS 10 2HD HIS 10 -1.210 6.810 -10.347
94 HE1 HIS 10 1HE HIS 10 -2.914 3.748 -12.697
95 HE2 HIS 10 2HE HIS 10 -0.879 5.234 -12.403
96 H HIS 11 H HIS 11 -1.487 5.104 -7.342
97 HA HIS 11 HA HIS 11 -0.923 2.839 -8.983
98 HB2 HIS 11 2HB HIS 11 0.676 4.026 -6.701
99 HB3 HIS 11 1HB HIS 11 1.277 2.830 -7.848
100 HD1 HIS 11 1HD HIS 11 0.351 3.870 -10.512
101 HD2 HIS 11 2HD HIS 11 1.785 6.400 -7.519
102 HE1 HIS 11 1HE HIS 11 1.122 5.996 -11.674
103 HE2 HIS 11 2HE HIS 11 2.057 7.528 -9.861
104 H LEU 12 H LEU 12 -1.937 3.271 -5.706
105 HA LEU 12 HA LEU 12 -2.682 1.795 -4.108
106 HB2 LEU 12 2HB LEU 12 -3.799 0.495 -5.816
107 HB3 LEU 12 1HB LEU 12 -2.280 -0.227 -6.328
108 HG LEU 12 HG LEU 12 -2.044 -1.329 -4.136
109 HD11 LEU 12 1HD1 LEU 12 -4.332 -1.247 -2.784
110 HD12 LEU 12 2HD1 LEU 12 -4.466 0.332 -3.558
111 HD13 LEU 12 3HD1 LEU 12 -3.080 -0.031 -2.528
112 HD21 LEU 12 3HD2 LEU 12 -3.289 -3.055 -4.898
113 HD22 LEU 12 1HD2 LEU 12 -3.845 -1.968 -6.169
114 HD23 LEU 12 2HD2 LEU 12 -4.793 -2.157 -4.695
115 H ALA 13 H ALA 13 0.141 1.110 -5.919
116 HA ALA 13 HA ALA 13 1.931 -0.404 -5.250
117 HB1 ALA 13 1HB ALA 13 2.148 2.430 -4.255
118 HB2 ALA 13 2HB ALA 13 2.801 1.735 -5.738
119 HB3 ALA 13 3HB ALA 13 3.504 1.304 -4.178
120 H HIS 14 H HIS 14 2.428 1.519 -2.488
121 HA HIS 14 HA HIS 14 2.511 1.103 -0.234
122 HB2 HIS 14 2HB HIS 14 0.281 -0.592 -1.113
123 HB3 HIS 14 1HB HIS 14 1.134 -1.223 0.292
124 HD1 HIS 14 1HD HIS 14 -0.521 -0.578 2.108
125 HD2 HIS 14 2HD HIS 14 0.513 2.637 -0.343
126 HE1 HIS 14 1HE HIS 14 -1.510 1.497 3.183
127 HE2 HIS 14 2HE HIS 14 -0.884 3.466 1.703
128 H LEU 15 H LEU 15 3.005 -1.406 -2.526
129 HA LEU 15 HA LEU 15 4.686 -3.027 -0.808
130 HB2 LEU 15 2HB LEU 15 3.670 -4.318 -2.478
131 HB3 LEU 15 1HB LEU 15 3.859 -3.063 -3.701
132 HG LEU 15 HG LEU 15 6.372 -3.461 -3.581
133 HD11 LEU 15 1HD1 LEU 15 7.113 -5.582 -2.591
134 HD12 LEU 15 2HD1 LEU 15 5.471 -5.916 -2.040
135 HD13 LEU 15 3HD1 LEU 15 6.370 -4.559 -1.365
136 HD21 LEU 15 3HD2 LEU 15 5.123 -4.377 -5.429
137 HD22 LEU 15 1HD2 LEU 15 4.530 -5.714 -4.435
138 HD23 LEU 15 2HD2 LEU 15 6.238 -5.621 -4.868
139 H ALA 16 H ALA 16 4.885 -0.422 -3.032
140 HA ALA 16 HA ALA 16 7.573 -0.441 -3.769
141 HB1 ALA 16 1HB ALA 16 5.767 1.930 -3.254
142 HB2 ALA 16 2HB ALA 16 5.970 1.087 -4.789
143 HB3 ALA 16 3HB ALA 16 7.311 1.996 -4.097
144 H LEU 17 H LEU 17 6.054 1.392 -1.166
145 HA LEU 17 HA LEU 17 8.055 2.625 0.108
146 HB2 LEU 17 2HB LEU 17 6.187 2.852 1.384
147 HB3 LEU 17 1HB LEU 17 5.638 1.213 1.056
148 HG LEU 17 HG LEU 17 7.507 0.428 2.638
149 HD11 LEU 17 1HD1 LEU 17 7.996 2.322 4.366
150 HD12 LEU 17 2HD1 LEU 17 7.603 3.405 3.032
151 HD13 LEU 17 3HD1 LEU 17 8.939 2.266 2.878
152 HD21 LEU 17 3HD2 LEU 17 6.111 0.671 4.553
153 HD22 LEU 17 1HD2 LEU 17 5.022 0.655 3.168
154 HD23 LEU 17 2HD2 LEU 17 5.426 2.180 3.947
155 H HIS 18 H HIS 18 7.341 -0.785 0.386
156 HA HIS 18 HA HIS 18 9.654 -1.387 2.014
157 HB2 HIS 18 2HB HIS 18 8.210 -3.399 0.308
158 HB3 HIS 18 1HB HIS 18 9.037 -3.638 1.839
159 HD1 HIS 18 1HD HIS 18 7.645 -3.348 3.958
160 HD2 HIS 18 2HD HIS 18 5.764 -1.883 0.547
161 HE1 HIS 18 1HE HIS 18 5.277 -2.747 4.651
162 HE2 HIS 18 2HE HIS 18 4.113 -1.839 2.577
163 H LEU 19 H LEU 19 8.791 -2.187 -1.297
164 HA LEU 19 HA LEU 19 11.168 -3.323 -2.146
165 HB2 LEU 19 2HB LEU 19 9.472 -3.518 -3.705
166 HB3 LEU 19 1HB LEU 19 8.921 -1.864 -3.465
167 HG LEU 19 HG LEU 19 11.074 -1.109 -4.614
168 HD11 LEU 19 1HD1 LEU 19 12.580 -2.850 -4.689
169 HD12 LEU 19 2HD1 LEU 19 11.777 -3.140 -6.230
170 HD13 LEU 19 3HD1 LEU 19 11.317 -4.075 -4.809
171 HD21 LEU 19 3HD2 LEU 19 8.646 -1.652 -5.627
172 HD22 LEU 19 1HD2 LEU 19 9.598 -2.812 -6.554
173 HD23 LEU 19 2HD2 LEU 19 9.982 -1.093 -6.631
174 H ALA 20 H ALA 20 10.281 -0.017 -1.670
175 HA ALA 20 HA ALA 20 12.581 1.127 -2.969
176 HB1 ALA 20 1HB ALA 20 11.552 3.103 -2.588
177 HB2 ALA 20 2HB ALA 20 11.311 2.746 -0.878
178 HB3 ALA 20 3HB ALA 20 10.178 2.125 -2.079
179 H LEU 21 H LEU 21 11.586 0.867 0.412
180 HA LEU 21 HA LEU 21 13.999 1.689 1.568
181 HB2 LEU 21 2HB LEU 21 11.799 1.362 2.764
182 HB3 LEU 21 1HB LEU 21 12.098 -0.376 2.699
183 HG LEU 21 HG LEU 21 14.324 0.078 3.847
184 HD11 LEU 21 1HD1 LEU 21 14.916 2.264 3.864
185 HD12 LEU 21 2HD1 LEU 21 13.817 2.399 5.235
186 HD13 LEU 21 3HD1 LEU 21 13.258 2.814 3.613
187 HD21 LEU 21 3HD2 LEU 21 11.685 0.683 5.195
188 HD22 LEU 21 1HD2 LEU 21 13.192 0.521 6.093
189 HD23 LEU 21 2HD2 LEU 21 12.566 -0.845 5.172
190 H ALA 22 H ALA 22 12.811 -1.501 0.696
191 HA ALA 22 HA ALA 22 14.958 -3.063 1.573
192 HB1 ALA 22 1HB ALA 22 12.809 -3.988 0.763
193 HB2 ALA 22 2HB ALA 22 14.193 -4.739 -0.033
194 HB3 ALA 22 3HB ALA 22 13.242 -3.517 -0.880
195 H LEU 23 H LEU 23 14.540 -1.144 -1.302
196 HA LEU 23 HA LEU 23 16.974 -2.095 -2.556
197 HB2 LEU 23 2HB LEU 23 14.837 -0.117 -3.187
198 HB3 LEU 23 1HB LEU 23 16.419 0.142 -3.921
199 HG LEU 23 HG LEU 23 15.026 -2.535 -4.019
200 HD11 LEU 23 1HD1 LEU 23 14.157 -1.927 -6.202
201 HD12 LEU 23 2HD1 LEU 23 14.945 -0.350 -6.120
202 HD13 LEU 23 3HD1 LEU 23 13.606 -0.731 -5.032
203 HD21 LEU 23 3HD2 LEU 23 16.539 -2.381 -6.234
204 HD22 LEU 23 1HD2 LEU 23 17.202 -2.924 -4.690
205 HD23 LEU 23 2HD2 LEU 23 17.445 -1.259 -5.220
206 H LYS 24 H LYS 24 15.829 0.912 -1.162
207 HA LYS 24 HA LYS 24 18.236 2.340 -1.277
208 HB2 LYS 24 2HB LYS 24 16.135 3.473 -0.927
209 HB3 LYS 24 1HB LYS 24 15.893 2.636 0.604
210 HG2 LYS 24 2HG LYS 24 18.445 4.154 0.290
211 HG3 LYS 24 1HG LYS 24 16.971 5.106 0.464
212 HD2 LYS 24 2HD LYS 24 16.586 4.386 2.623
213 HD3 LYS 24 1HD LYS 24 17.342 2.820 2.356
214 HE2 LYS 24 2HE LYS 24 18.787 5.468 2.667
215 HE3 LYS 24 1HE LYS 24 18.724 4.173 3.861
216 HZ1 LYS 24 3HZ LYS 24 19.601 2.956 1.561
217 HZ2 LYS 24 1HZ LYS 24 20.552 3.388 2.893
218 HZ3 LYS 24 2HZ LYS 24 20.411 4.442 1.572
219 H LYS 25 H LYS 25 16.872 0.480 1.419
220 HA LYS 25 HA LYS 25 18.332 0.953 3.538
221 HB2 LYS 25 2HB LYS 25 18.640 -1.508 3.993
222 HB3 LYS 25 1HB LYS 25 16.999 -1.002 3.620
223 HG2 LYS 25 2HG LYS 25 16.928 -2.456 1.916
224 HG3 LYS 25 1HG LYS 25 18.311 -1.669 1.156
225 HD2 LYS 25 2HD LYS 25 19.855 -3.041 2.492
226 HD3 LYS 25 1HD LYS 25 18.497 -3.757 3.355
227 HE2 LYS 25 2HE LYS 25 19.407 -5.209 1.509
228 HE3 LYS 25 1HE LYS 25 17.694 -4.831 1.347
229 HZ1 LYS 25 3HZ LYS 25 19.815 -3.233 0.014
230 HZ2 LYS 25 1HZ LYS 25 18.133 -3.228 -0.290
231 HZ3 LYS 25 2HZ LYS 25 19.073 -4.579 -0.718
232 H ALA 26 H ALA 26 19.864 -1.559 1.558
233 HA ALA 26 HA ALA 26 22.354 -0.124 1.361
234 HB1 ALA 26 1HB ALA 26 23.630 -1.277 2.886
235 HB2 ALA 26 2HB ALA 26 22.625 -2.724 2.793
236 HB3 ALA 26 3HB ALA 26 22.085 -1.338 3.740
Start of MODEL 13
1 H1 LYS 1 1HT LYS 1 -1.586 17.904 -22.419
2 H2 LYS 1 2HT LYS 1 -2.488 17.231 -23.683
3 H3 LYS 1 3HT LYS 1 -0.816 17.443 -23.852
4 HA LYS 1 HA LYS 1 -2.225 15.242 -22.778
5 HB2 LYS 1 2HB LYS 1 0.513 15.968 -23.697
6 HB3 LYS 1 1HB LYS 1 0.411 14.612 -22.582
7 HG2 LYS 1 2HG LYS 1 -1.619 14.517 -24.708
8 HG3 LYS 1 1HG LYS 1 0.034 14.457 -25.314
9 HD2 LYS 1 2HD LYS 1 -0.717 12.733 -22.972
10 HD3 LYS 1 1HD LYS 1 -1.201 12.228 -24.590
11 HE2 LYS 1 2HE LYS 1 1.647 12.962 -23.849
12 HE3 LYS 1 1HE LYS 1 1.033 11.313 -23.849
13 HZ1 LYS 1 2HZ LYS 1 0.576 11.447 -26.156
14 HZ2 LYS 1 3HZ LYS 1 2.164 12.006 -25.933
15 HZ3 LYS 1 1HZ LYS 1 0.908 13.109 -26.205
16 H LYS 2 H LYS 2 -1.602 14.080 -20.840
17 HA LYS 2 HA LYS 2 -0.505 15.762 -18.667
18 HB2 LYS 2 2HB LYS 2 -3.010 14.056 -18.594
19 HB3 LYS 2 1HB LYS 2 -2.209 14.686 -17.155
20 HG2 LYS 2 2HG LYS 2 -2.652 16.945 -17.770
21 HG3 LYS 2 1HG LYS 2 -3.076 16.489 -19.417
22 HD2 LYS 2 2HD LYS 2 -5.228 16.241 -18.825
23 HD3 LYS 2 1HD LYS 2 -4.768 15.022 -17.639
24 HE2 LYS 2 2HE LYS 2 -5.028 18.007 -17.243
25 HE3 LYS 2 1HE LYS 2 -5.867 16.718 -16.381
26 HZ1 LYS 2 3HZ LYS 2 -3.147 17.727 -16.035
27 HZ2 LYS 2 1HZ LYS 2 -3.384 16.063 -15.808
28 HZ3 LYS 2 2HZ LYS 2 -4.253 17.176 -14.875
29 H ALA 3 H ALA 3 0.828 14.665 -17.273
30 HA ALA 3 HA ALA 3 1.857 12.123 -18.120
31 HB1 ALA 3 1HB ALA 3 3.512 13.403 -17.097
32 HB2 ALA 3 2HB ALA 3 3.037 12.337 -15.774
33 HB3 ALA 3 3HB ALA 3 2.425 13.990 -15.839
34 H LEU 4 H LEU 4 -0.696 11.587 -17.879
35 HA LEU 4 HA LEU 4 -1.694 10.821 -15.359
36 HB2 LEU 4 2HB LEU 4 -2.357 10.254 -18.204
37 HB3 LEU 4 1HB LEU 4 -3.001 9.139 -16.998
38 HG LEU 4 HG LEU 4 -3.256 12.127 -16.663
39 HD11 LEU 4 1HD1 LEU 4 -5.440 12.036 -17.716
40 HD12 LEU 4 2HD1 LEU 4 -5.264 10.313 -18.032
41 HD13 LEU 4 3HD1 LEU 4 -4.233 11.474 -18.867
42 HD21 LEU 4 3HD2 LEU 4 -4.653 9.676 -15.575
43 HD22 LEU 4 1HD2 LEU 4 -5.299 11.305 -15.375
44 HD23 LEU 4 2HD2 LEU 4 -3.731 10.886 -14.681
45 H LEU 5 H LEU 5 -0.671 8.715 -17.961
46 HA LEU 5 HA LEU 5 -0.455 6.311 -16.669
47 HB2 LEU 5 2HB LEU 5 0.767 7.515 -19.031
48 HB3 LEU 5 1HB LEU 5 1.845 6.362 -18.249
49 HG LEU 5 HG LEU 5 0.316 5.338 -19.967
50 HD11 LEU 5 1HD1 LEU 5 1.303 4.251 -17.800
51 HD12 LEU 5 2HD1 LEU 5 0.072 3.387 -18.715
52 HD13 LEU 5 3HD1 LEU 5 -0.374 4.259 -17.252
53 HD21 LEU 5 3HD2 LEU 5 -1.940 5.389 -18.048
54 HD22 LEU 5 1HD2 LEU 5 -1.959 5.504 -19.803
55 HD23 LEU 5 2HD2 LEU 5 -1.599 6.931 -18.835
56 H ALA 6 H ALA 6 2.037 8.717 -17.016
57 HA ALA 6 HA ALA 6 4.026 7.592 -15.416
58 HB1 ALA 6 1HB ALA 6 5.108 9.472 -15.985
59 HB2 ALA 6 2HB ALA 6 3.975 10.448 -15.050
60 HB3 ALA 6 3HB ALA 6 3.621 10.053 -16.733
61 H LEU 7 H LEU 7 1.505 9.903 -14.532
62 HA LEU 7 HA LEU 7 2.057 10.095 -11.793
63 HB2 LEU 7 2HB LEU 7 0.539 11.689 -12.639
64 HB3 LEU 7 1HB LEU 7 -0.439 10.461 -13.433
65 HG LEU 7 HG LEU 7 -1.009 9.585 -11.099
66 HD11 LEU 7 1HD1 LEU 7 0.598 12.030 -10.449
67 HD12 LEU 7 2HD1 LEU 7 0.520 10.486 -9.602
68 HD13 LEU 7 3HD1 LEU 7 -0.792 11.651 -9.434
69 HD21 LEU 7 3HD2 LEU 7 -2.229 11.453 -12.655
70 HD22 LEU 7 1HD2 LEU 7 -1.975 12.391 -11.178
71 HD23 LEU 7 2HD2 LEU 7 -2.892 10.881 -11.119
72 H ALA 8 H ALA 8 -0.228 8.022 -13.506
73 HA ALA 8 HA ALA 8 -1.264 6.570 -11.387
74 HB1 ALA 8 1HB ALA 8 -2.302 5.561 -13.103
75 HB2 ALA 8 2HB ALA 8 -0.792 4.755 -13.533
76 HB3 ALA 8 3HB ALA 8 -1.182 6.326 -14.232
77 H LEU 9 H LEU 9 1.452 5.715 -13.437
78 HA LEU 9 HA LEU 9 2.347 3.488 -11.955
79 HB2 LEU 9 2HB LEU 9 3.377 5.182 -14.120
80 HB3 LEU 9 1HB LEU 9 4.637 4.509 -13.088
81 HG LEU 9 HG LEU 9 3.298 2.266 -13.372
82 HD11 LEU 9 1HD1 LEU 9 1.683 3.966 -14.866
83 HD12 LEU 9 2HD1 LEU 9 1.675 2.205 -14.939
84 HD13 LEU 9 3HD1 LEU 9 2.643 3.126 -16.088
85 HD21 LEU 9 3HD2 LEU 9 4.559 1.901 -15.564
86 HD22 LEU 9 1HD2 LEU 9 5.529 2.468 -14.209
87 HD23 LEU 9 2HD2 LEU 9 5.028 3.598 -15.466
88 H HIS 10 H HIS 10 3.764 6.683 -12.170
89 HA HIS 10 HA HIS 10 5.727 6.755 -10.380
90 HB2 HIS 10 2HB HIS 10 5.154 8.787 -11.443
91 HB3 HIS 10 1HB HIS 10 3.534 8.785 -10.751
92 HD1 HIS 10 1HD HIS 10 7.154 8.962 -9.579
93 HD2 HIS 10 2HD HIS 10 3.350 10.229 -8.426
94 HE1 HIS 10 1HE HIS 10 7.480 10.440 -7.546
95 HE2 HIS 10 2HE HIS 10 5.164 11.215 -6.818
96 H HIS 11 H HIS 11 2.327 6.786 -9.422
97 HA HIS 11 HA HIS 11 2.648 7.238 -6.694
98 HB2 HIS 11 2HB HIS 11 0.594 5.753 -8.297
99 HB3 HIS 11 1HB HIS 11 0.533 5.694 -6.536
100 HD1 HIS 11 1HD HIS 11 0.926 8.327 -5.487
101 HD2 HIS 11 2HD HIS 11 -0.876 7.869 -9.220
102 HE1 HIS 11 1HE HIS 11 -0.352 10.468 -5.935
103 HE2 HIS 11 2HE HIS 11 -1.463 10.202 -8.210
104 H LEU 12 H LEU 12 4.012 6.218 -5.379
105 HA LEU 12 HA LEU 12 5.209 3.746 -5.763
106 HB2 LEU 12 2HB LEU 12 4.551 5.037 -3.107
107 HB3 LEU 12 1HB LEU 12 5.764 3.790 -3.379
108 HG LEU 12 HG LEU 12 6.026 6.161 -5.129
109 HD11 LEU 12 1HD1 LEU 12 5.326 7.247 -3.030
110 HD12 LEU 12 2HD1 LEU 12 7.037 7.545 -3.338
111 HD13 LEU 12 3HD1 LEU 12 6.548 6.342 -2.145
112 HD21 LEU 12 3HD2 LEU 12 8.413 5.864 -4.457
113 HD22 LEU 12 1HD2 LEU 12 7.700 4.382 -5.100
114 HD23 LEU 12 2HD2 LEU 12 7.913 4.576 -3.358
115 H ALA 13 H ALA 13 2.340 4.540 -3.916
116 HA ALA 13 HA ALA 13 0.424 3.295 -3.546
117 HB1 ALA 13 1HB ALA 13 1.009 1.945 -5.596
118 HB2 ALA 13 2HB ALA 13 0.152 1.056 -4.335
119 HB3 ALA 13 3HB ALA 13 1.890 0.848 -4.538
120 H HIS 14 H HIS 14 2.163 0.367 -2.933
121 HA HIS 14 HA HIS 14 2.538 1.104 -0.106
122 HB2 HIS 14 2HB HIS 14 0.852 -1.177 -1.131
123 HB3 HIS 14 1HB HIS 14 1.466 -1.113 0.521
124 HD1 HIS 14 1HD HIS 14 0.649 0.950 2.000
125 HD2 HIS 14 2HD HIS 14 -1.383 0.432 -1.607
126 HE1 HIS 14 1HE HIS 14 -1.472 2.321 2.165
127 HE2 HIS 14 2HE HIS 14 -2.723 2.015 -0.022
128 H LEU 15 H LEU 15 2.681 -1.855 -2.039
129 HA LEU 15 HA LEU 15 4.777 -3.081 -0.710
130 HB2 LEU 15 2HB LEU 15 4.104 -3.234 -3.662
131 HB3 LEU 15 1HB LEU 15 5.156 -4.360 -2.803
132 HG LEU 15 HG LEU 15 2.279 -3.828 -2.009
133 HD11 LEU 15 1HD1 LEU 15 1.999 -6.191 -3.011
134 HD12 LEU 15 2HD1 LEU 15 3.504 -5.864 -3.868
135 HD13 LEU 15 3HD1 LEU 15 2.096 -4.836 -4.134
136 HD21 LEU 15 3HD2 LEU 15 3.393 -4.752 -0.155
137 HD22 LEU 15 1HD2 LEU 15 4.439 -5.750 -1.162
138 HD23 LEU 15 2HD2 LEU 15 2.737 -6.175 -0.968
139 H ALA 16 H ALA 16 4.732 -0.587 -3.064
140 HA ALA 16 HA ALA 16 7.331 -0.586 -3.972
141 HB1 ALA 16 1HB ALA 16 6.955 1.885 -4.278
142 HB2 ALA 16 2HB ALA 16 5.415 1.667 -3.444
143 HB3 ALA 16 3HB ALA 16 5.714 0.845 -4.977
144 H LEU 17 H LEU 17 5.984 1.233 -1.282
145 HA LEU 17 HA LEU 17 8.114 2.565 -0.268
146 HB2 LEU 17 2HB LEU 17 6.065 2.834 0.870
147 HB3 LEU 17 1HB LEU 17 5.876 1.100 1.111
148 HG LEU 17 HG LEU 17 7.982 1.219 2.580
149 HD11 LEU 17 1HD1 LEU 17 7.274 4.167 2.572
150 HD12 LEU 17 2HD1 LEU 17 8.660 3.489 1.717
151 HD13 LEU 17 3HD1 LEU 17 8.571 3.392 3.476
152 HD21 LEU 17 3HD2 LEU 17 5.899 0.913 3.674
153 HD22 LEU 17 1HD2 LEU 17 5.364 2.550 3.284
154 HD23 LEU 17 2HD2 LEU 17 6.632 2.297 4.483
155 H HIS 18 H HIS 18 7.243 -0.736 0.516
156 HA HIS 18 HA HIS 18 9.509 -1.338 2.094
157 HB2 HIS 18 2HB HIS 18 7.991 -3.288 0.364
158 HB3 HIS 18 1HB HIS 18 8.902 -3.631 1.827
159 HD1 HIS 18 1HD HIS 18 7.561 -3.600 3.975
160 HD2 HIS 18 2HD HIS 18 5.712 -1.477 0.903
161 HE1 HIS 18 1HE HIS 18 5.334 -2.795 4.900
162 HE2 HIS 18 2HE HIS 18 4.190 -1.488 3.037
163 H LEU 19 H LEU 19 8.729 -2.012 -1.230
164 HA LEU 19 HA LEU 19 11.069 -3.256 -2.057
165 HB2 LEU 19 2HB LEU 19 9.508 -3.386 -3.719
166 HB3 LEU 19 1HB LEU 19 8.791 -1.835 -3.287
167 HG LEU 19 HG LEU 19 10.814 -0.729 -4.368
168 HD11 LEU 19 1HD1 LEU 19 12.126 -2.969 -4.249
169 HD12 LEU 19 2HD1 LEU 19 12.292 -2.003 -5.716
170 HD13 LEU 19 3HD1 LEU 19 11.227 -3.412 -5.696
171 HD21 LEU 19 3HD2 LEU 19 9.997 -1.249 -6.720
172 HD22 LEU 19 1HD2 LEU 19 8.725 -0.782 -5.587
173 HD23 LEU 19 2HD2 LEU 19 8.953 -2.482 -6.009
174 H ALA 20 H ALA 20 10.249 0.068 -1.583
175 HA ALA 20 HA ALA 20 12.614 1.184 -2.786
176 HB1 ALA 20 1HB ALA 20 11.760 3.135 -1.098
177 HB2 ALA 20 2HB ALA 20 10.279 2.197 -1.288
178 HB3 ALA 20 3HB ALA 20 11.085 2.865 -2.706
179 H LEU 21 H LEU 21 11.537 0.591 0.506
180 HA LEU 21 HA LEU 21 13.798 1.486 1.871
181 HB2 LEU 21 2HB LEU 21 11.512 -0.237 2.453
182 HB3 LEU 21 1HB LEU 21 12.968 -0.726 3.318
183 HG LEU 21 HG LEU 21 13.222 1.781 3.911
184 HD11 LEU 21 1HD1 LEU 21 11.433 2.445 2.230
185 HD12 LEU 21 2HD1 LEU 21 11.236 3.121 3.846
186 HD13 LEU 21 3HD1 LEU 21 10.251 1.750 3.337
187 HD21 LEU 21 3HD2 LEU 21 11.189 -0.148 5.017
188 HD22 LEU 21 1HD2 LEU 21 11.315 1.471 5.708
189 HD23 LEU 21 2HD2 LEU 21 12.711 0.394 5.728
190 H ALA 22 H ALA 22 12.998 -1.809 0.881
191 HA ALA 22 HA ALA 22 15.408 -3.030 1.560
192 HB1 ALA 22 1HB ALA 22 14.760 -4.516 -0.554
193 HB2 ALA 22 2HB ALA 22 13.240 -3.644 -0.392
194 HB3 ALA 22 3HB ALA 22 13.849 -4.611 0.949
195 H LEU 23 H LEU 23 14.475 -1.325 -1.360
196 HA LEU 23 HA LEU 23 16.822 -1.845 -2.845
197 HB2 LEU 23 2HB LEU 23 14.838 -1.041 -3.969
198 HB3 LEU 23 1HB LEU 23 14.839 0.431 -3.003
199 HG LEU 23 HG LEU 23 17.008 1.079 -3.992
200 HD11 LEU 23 1HD1 LEU 23 16.665 -1.557 -5.434
201 HD12 LEU 23 2HD1 LEU 23 18.059 -0.992 -4.515
202 HD13 LEU 23 3HD1 LEU 23 17.690 -0.279 -6.084
203 HD21 LEU 23 3HD2 LEU 23 16.164 1.644 -6.198
204 HD22 LEU 23 1HD2 LEU 23 14.824 1.722 -5.054
205 HD23 LEU 23 2HD2 LEU 23 14.988 0.331 -6.126
206 H LYS 24 H LYS 24 15.818 1.008 -1.012
207 HA LYS 24 HA LYS 24 18.239 2.420 -1.227
208 HB2 LYS 24 2HB LYS 24 16.093 2.483 0.896
209 HB3 LYS 24 1HB LYS 24 17.429 3.633 0.818
210 HG2 LYS 24 2HG LYS 24 16.615 4.662 -1.102
211 HG3 LYS 24 1HG LYS 24 15.800 3.206 -1.664
212 HD2 LYS 24 2HD LYS 24 14.249 5.051 -0.861
213 HD3 LYS 24 1HD LYS 24 14.014 3.489 -0.082
214 HE2 LYS 24 2HE LYS 24 13.997 5.154 1.660
215 HE3 LYS 24 1HE LYS 24 15.526 4.289 1.788
216 HZ1 LYS 24 3HZ LYS 24 15.032 6.982 0.652
217 HZ2 LYS 24 1HZ LYS 24 16.470 6.127 0.357
218 HZ3 LYS 24 2HZ LYS 24 16.049 6.554 1.945
219 H LYS 25 H LYS 25 17.025 0.244 1.247
220 HA LYS 25 HA LYS 25 18.702 0.289 3.297
221 HB2 LYS 25 2HB LYS 25 16.974 -1.455 2.920
222 HB3 LYS 25 1HB LYS 25 18.087 -2.288 1.839
223 HG2 LYS 25 2HG LYS 25 19.478 -1.695 4.278
224 HG3 LYS 25 1HG LYS 25 17.941 -2.454 4.686
225 HD2 LYS 25 2HD LYS 25 19.003 -3.896 2.470
226 HD3 LYS 25 1HD LYS 25 20.319 -3.688 3.622
227 HE2 LYS 25 2HE LYS 25 17.576 -4.825 4.236
228 HE3 LYS 25 1HE LYS 25 19.082 -5.735 4.132
229 HZ1 LYS 25 3HZ LYS 25 18.080 -4.678 6.387
230 HZ2 LYS 25 1HZ LYS 25 19.181 -3.476 5.918
231 HZ3 LYS 25 2HZ LYS 25 19.714 -5.075 6.146
232 H ALA 26 H ALA 26 19.663 -2.260 1.069
233 HA ALA 26 HA ALA 26 22.215 -1.172 0.390
234 HB1 ALA 26 1HB ALA 26 23.479 -2.972 1.768
235 HB2 ALA 26 2HB ALA 26 22.028 -3.012 2.764
236 HB3 ALA 26 3HB ALA 26 22.940 -1.513 2.603
Start of MODEL 14
1 H1 LYS 1 1HT LYS 1 18.354 14.667 -7.800
2 H2 LYS 1 2HT LYS 1 19.309 15.571 -8.864
3 H3 LYS 1 3HT LYS 1 19.883 14.098 -8.251
4 HA LYS 1 HA LYS 1 18.439 14.532 -10.596
5 HB2 LYS 1 2HB LYS 1 19.044 11.905 -9.204
6 HB3 LYS 1 1HB LYS 1 18.822 12.163 -10.934
7 HG2 LYS 1 2HG LYS 1 20.812 13.716 -10.879
8 HG3 LYS 1 1HG LYS 1 21.093 13.200 -9.215
9 HD2 LYS 1 2HD LYS 1 20.697 10.980 -11.125
10 HD3 LYS 1 1HD LYS 1 22.140 11.945 -11.428
11 HE2 LYS 1 2HE LYS 1 22.508 9.999 -9.864
12 HE3 LYS 1 1HE LYS 1 22.960 11.561 -9.183
13 HZ1 LYS 1 2HZ LYS 1 21.689 10.362 -7.580
14 HZ2 LYS 1 3HZ LYS 1 20.446 10.054 -8.687
15 HZ3 LYS 1 1HZ LYS 1 20.725 11.636 -8.144
16 H LYS 2 H LYS 2 16.640 12.816 -11.194
17 HA LYS 2 HA LYS 2 14.510 13.132 -9.175
18 HB2 LYS 2 2HB LYS 2 14.453 12.718 -12.166
19 HB3 LYS 2 1HB LYS 2 13.015 12.544 -11.161
20 HG2 LYS 2 2HG LYS 2 14.744 15.038 -11.262
21 HG3 LYS 2 1HG LYS 2 13.228 14.833 -12.142
22 HD2 LYS 2 2HD LYS 2 12.198 14.263 -9.832
23 HD3 LYS 2 1HD LYS 2 13.652 15.000 -9.156
24 HE2 LYS 2 2HE LYS 2 11.692 16.330 -11.057
25 HE3 LYS 2 1HE LYS 2 11.869 16.673 -9.338
26 HZ1 LYS 2 3HZ LYS 2 14.173 16.898 -11.167
27 HZ2 LYS 2 1HZ LYS 2 13.941 17.616 -9.646
28 HZ3 LYS 2 2HZ LYS 2 13.070 18.176 -10.992
29 H ALA 3 H ALA 3 13.385 11.400 -8.408
30 HA ALA 3 HA ALA 3 14.717 8.886 -8.369
31 HB1 ALA 3 1HB ALA 3 13.448 9.542 -6.438
32 HB2 ALA 3 2HB ALA 3 12.639 8.141 -7.135
33 HB3 ALA 3 3HB ALA 3 11.985 9.755 -7.397
34 H LEU 4 H LEU 4 14.273 9.451 -11.053
35 HA LEU 4 HA LEU 4 11.925 8.303 -12.130
36 HB2 LEU 4 2HB LEU 4 14.637 8.288 -13.457
37 HB3 LEU 4 1HB LEU 4 13.054 8.312 -14.232
38 HG LEU 4 HG LEU 4 14.398 10.545 -12.692
39 HD11 LEU 4 1HD1 LEU 4 13.087 10.469 -15.427
40 HD12 LEU 4 2HD1 LEU 4 14.813 10.205 -15.165
41 HD13 LEU 4 3HD1 LEU 4 14.088 11.759 -14.755
42 HD21 LEU 4 3HD2 LEU 4 12.179 10.609 -11.859
43 HD22 LEU 4 1HD2 LEU 4 11.494 10.112 -13.405
44 HD23 LEU 4 2HD2 LEU 4 12.160 11.734 -13.215
45 H LEU 5 H LEU 5 15.186 6.987 -12.056
46 HA LEU 5 HA LEU 5 14.714 4.389 -12.813
47 HB2 LEU 5 2HB LEU 5 16.595 3.859 -11.025
48 HB3 LEU 5 1HB LEU 5 16.968 4.770 -12.486
49 HG LEU 5 HG LEU 5 16.011 6.508 -10.334
50 HD11 LEU 5 1HD1 LEU 5 18.049 6.315 -8.944
51 HD12 LEU 5 2HD1 LEU 5 18.553 4.910 -9.885
52 HD13 LEU 5 3HD1 LEU 5 17.091 4.832 -8.899
53 HD21 LEU 5 3HD2 LEU 5 17.333 6.936 -12.573
54 HD22 LEU 5 1HD2 LEU 5 18.746 6.564 -11.583
55 HD23 LEU 5 2HD2 LEU 5 17.693 7.912 -11.146
56 H ALA 6 H ALA 6 14.514 5.743 -9.586
57 HA ALA 6 HA ALA 6 13.628 3.384 -8.283
58 HB1 ALA 6 1HB ALA 6 13.213 6.263 -7.460
59 HB2 ALA 6 2HB ALA 6 14.625 5.287 -7.059
60 HB3 ALA 6 3HB ALA 6 13.042 4.849 -6.419
61 H LEU 7 H LEU 7 11.949 6.174 -9.633
62 HA LEU 7 HA LEU 7 9.328 5.571 -8.915
63 HB2 LEU 7 2HB LEU 7 9.761 7.676 -9.970
64 HB3 LEU 7 1HB LEU 7 10.444 6.890 -11.391
65 HG LEU 7 HG LEU 7 8.205 5.868 -11.854
66 HD11 LEU 7 1HD1 LEU 7 7.536 7.448 -9.380
67 HD12 LEU 7 2HD1 LEU 7 7.085 5.793 -9.802
68 HD13 LEU 7 3HD1 LEU 7 6.303 7.154 -10.610
69 HD21 LEU 7 3HD2 LEU 7 8.267 8.892 -11.610
70 HD22 LEU 7 1HD2 LEU 7 7.140 7.977 -12.611
71 HD23 LEU 7 2HD2 LEU 7 8.865 7.951 -12.977
72 H ALA 8 H ALA 8 11.141 4.624 -11.758
73 HA ALA 8 HA ALA 8 9.162 2.955 -12.916
74 HB1 ALA 8 1HB ALA 8 12.095 2.465 -13.281
75 HB2 ALA 8 2HB ALA 8 11.374 3.948 -13.908
76 HB3 ALA 8 3HB ALA 8 10.797 2.380 -14.471
77 H LEU 9 H LEU 9 12.099 2.186 -11.152
78 HA LEU 9 HA LEU 9 12.147 -0.482 -10.968
79 HB2 LEU 9 2HB LEU 9 12.868 1.669 -9.120
80 HB3 LEU 9 1HB LEU 9 12.585 0.119 -8.331
81 HG LEU 9 HG LEU 9 14.201 0.070 -10.836
82 HD11 LEU 9 1HD1 LEU 9 14.875 1.930 -8.858
83 HD12 LEU 9 2HD1 LEU 9 15.950 1.285 -10.097
84 HD13 LEU 9 3HD1 LEU 9 15.886 0.530 -8.504
85 HD21 LEU 9 3HD2 LEU 9 13.497 -1.776 -8.945
86 HD22 LEU 9 1HD2 LEU 9 15.073 -1.264 -8.334
87 HD23 LEU 9 2HD2 LEU 9 14.929 -1.920 -9.963
88 H HIS 10 H HIS 10 10.622 1.132 -8.215
89 HA HIS 10 HA HIS 10 8.507 -0.937 -8.298
90 HB2 HIS 10 2HB HIS 10 8.970 -0.115 -5.591
91 HB3 HIS 10 1HB HIS 10 9.072 -1.727 -6.289
92 HD1 HIS 10 1HD HIS 10 11.404 -2.525 -7.128
93 HD2 HIS 10 2HD HIS 10 11.442 1.186 -5.225
94 HE1 HIS 10 1HE HIS 10 13.827 -2.035 -6.567
95 HE2 HIS 10 2HE HIS 10 13.869 0.238 -5.415
96 H HIS 11 H HIS 11 9.293 1.992 -6.500
97 HA HIS 11 HA HIS 11 7.386 3.136 -5.379
98 HB2 HIS 11 2HB HIS 11 8.667 4.277 -7.817
99 HB3 HIS 11 1HB HIS 11 7.402 5.194 -6.996
100 HD1 HIS 11 1HD HIS 11 8.039 4.476 -4.057
101 HD2 HIS 11 2HD HIS 11 10.947 5.535 -6.861
102 HE1 HIS 11 1HE HIS 11 10.044 5.307 -2.744
103 HE2 HIS 11 2HE HIS 11 11.825 5.949 -4.437
104 H LEU 12 H LEU 12 5.340 2.565 -5.302
105 HA LEU 12 HA LEU 12 3.543 3.341 -7.419
106 HB2 LEU 12 2HB LEU 12 4.429 0.634 -7.288
107 HB3 LEU 12 1HB LEU 12 2.755 0.676 -6.735
108 HG LEU 12 HG LEU 12 3.326 2.324 -9.134
109 HD11 LEU 12 1HD1 LEU 12 4.725 0.419 -9.688
110 HD12 LEU 12 2HD1 LEU 12 3.227 0.287 -10.609
111 HD13 LEU 12 3HD1 LEU 12 3.464 -0.708 -9.169
112 HD21 LEU 12 3HD2 LEU 12 1.177 1.295 -9.828
113 HD22 LEU 12 1HD2 LEU 12 1.061 2.021 -8.234
114 HD23 LEU 12 2HD2 LEU 12 1.217 0.273 -8.393
115 H ALA 13 H ALA 13 3.649 1.193 -4.619
116 HA ALA 13 HA ALA 13 2.086 3.009 -3.005
117 HB1 ALA 13 1HB ALA 13 0.262 1.996 -4.222
118 HB2 ALA 13 2HB ALA 13 0.265 1.334 -2.589
119 HB3 ALA 13 3HB ALA 13 0.904 0.379 -3.928
120 H HIS 14 H HIS 14 1.173 0.928 -1.202
121 HA HIS 14 HA HIS 14 3.326 0.721 0.524
122 HB2 HIS 14 2HB HIS 14 0.699 -0.607 0.279
123 HB3 HIS 14 1HB HIS 14 1.905 -1.483 1.217
124 HD1 HIS 14 1HD HIS 14 2.596 -0.515 3.488
125 HD2 HIS 14 2HD HIS 14 0.024 1.992 1.358
126 HE1 HIS 14 1HE HIS 14 1.884 1.319 5.088
127 HE2 HIS 14 2HE HIS 14 0.331 2.860 3.801
128 H LEU 15 H LEU 15 2.443 -1.264 -2.164
129 HA LEU 15 HA LEU 15 4.132 -3.491 -1.544
130 HB2 LEU 15 2HB LEU 15 2.654 -2.543 -3.987
131 HB3 LEU 15 1HB LEU 15 3.744 -3.925 -4.066
132 HG LEU 15 HG LEU 15 1.395 -3.665 -2.157
133 HD11 LEU 15 1HD1 LEU 15 1.770 -5.122 -4.771
134 HD12 LEU 15 2HD1 LEU 15 0.488 -3.997 -4.323
135 HD13 LEU 15 3HD1 LEU 15 0.544 -5.604 -3.599
136 HD21 LEU 15 3HD2 LEU 15 1.937 -6.224 -2.018
137 HD22 LEU 15 1HD2 LEU 15 2.919 -5.096 -1.086
138 HD23 LEU 15 2HD2 LEU 15 3.528 -5.748 -2.608
139 H ALA 16 H ALA 16 4.721 -0.369 -2.529
140 HA ALA 16 HA ALA 16 7.216 -1.129 -3.893
141 HB1 ALA 16 1HB ALA 16 5.567 0.280 -5.168
142 HB2 ALA 16 2HB ALA 16 7.170 0.994 -4.998
143 HB3 ALA 16 3HB ALA 16 5.845 1.550 -3.977
144 H LEU 17 H LEU 17 5.866 1.137 -1.555
145 HA LEU 17 HA LEU 17 8.015 2.627 -0.819
146 HB2 LEU 17 2HB LEU 17 6.960 3.065 1.208
147 HB3 LEU 17 1HB LEU 17 5.641 2.617 0.139
148 HG LEU 17 HG LEU 17 6.004 0.213 1.103
149 HD11 LEU 17 1HD1 LEU 17 7.419 -0.034 2.858
150 HD12 LEU 17 2HD1 LEU 17 6.733 1.367 3.677
151 HD13 LEU 17 3HD1 LEU 17 8.031 1.584 2.503
152 HD21 LEU 17 3HD2 LEU 17 4.939 2.018 3.205
153 HD22 LEU 17 1HD2 LEU 17 4.193 0.620 2.437
154 HD23 LEU 17 2HD2 LEU 17 4.215 2.175 1.604
155 H HIS 18 H HIS 18 7.263 -0.559 0.392
156 HA HIS 18 HA HIS 18 9.519 -0.795 2.096
157 HB2 HIS 18 2HB HIS 18 8.916 -3.092 2.312
158 HB3 HIS 18 1HB HIS 18 7.429 -2.170 2.139
159 HD1 HIS 18 1HD HIS 18 8.776 -5.181 0.967
160 HD2 HIS 18 2HD HIS 18 6.788 -2.020 -0.905
161 HE1 HIS 18 1HE HIS 18 7.880 -6.097 -1.223
162 HE2 HIS 18 2HE HIS 18 6.652 -4.189 -2.379
163 H LEU 19 H LEU 19 8.868 -1.908 -1.151
164 HA LEU 19 HA LEU 19 11.326 -3.149 -1.706
165 HB2 LEU 19 2HB LEU 19 9.005 -2.470 -3.159
166 HB3 LEU 19 1HB LEU 19 10.333 -1.666 -3.991
167 HG LEU 19 HG LEU 19 11.532 -3.745 -4.231
168 HD11 LEU 19 1HD1 LEU 19 11.295 -5.245 -2.563
169 HD12 LEU 19 2HD1 LEU 19 9.798 -5.743 -3.356
170 HD13 LEU 19 3HD1 LEU 19 9.751 -4.544 -2.065
171 HD21 LEU 19 3HD2 LEU 19 9.987 -3.518 -5.990
172 HD22 LEU 19 1HD2 LEU 19 8.605 -3.790 -4.929
173 HD23 LEU 19 2HD2 LEU 19 9.654 -5.138 -5.374
174 H ALA 20 H ALA 20 10.192 0.092 -1.734
175 HA ALA 20 HA ALA 20 12.453 1.355 -2.926
176 HB1 ALA 20 1HB ALA 20 10.010 2.245 -1.999
177 HB2 ALA 20 2HB ALA 20 11.329 3.284 -2.532
178 HB3 ALA 20 3HB ALA 20 11.135 2.916 -0.819
179 H LEU 21 H LEU 21 11.526 0.793 0.424
180 HA LEU 21 HA LEU 21 13.871 1.787 1.633
181 HB2 LEU 21 2HB LEU 21 11.618 1.077 2.721
182 HB3 LEU 21 1HB LEU 21 12.314 -0.541 2.734
183 HG LEU 21 HG LEU 21 13.986 1.708 3.794
184 HD11 LEU 21 1HD1 LEU 21 11.708 2.016 4.793
185 HD12 LEU 21 2HD1 LEU 21 12.937 1.576 5.979
186 HD13 LEU 21 3HD1 LEU 21 11.796 0.361 5.404
187 HD21 LEU 21 3HD2 LEU 21 15.210 -0.192 4.103
188 HD22 LEU 21 1HD2 LEU 21 13.791 -1.242 3.991
189 HD23 LEU 21 2HD2 LEU 21 14.167 -0.422 5.506
190 H ALA 22 H ALA 22 12.895 -1.457 0.664
191 HA ALA 22 HA ALA 22 15.186 -2.875 1.349
192 HB1 ALA 22 1HB ALA 22 14.560 -4.467 -0.423
193 HB2 ALA 22 2HB ALA 22 13.434 -3.282 -1.086
194 HB3 ALA 22 3HB ALA 22 13.149 -3.967 0.513
195 H LEU 23 H LEU 23 14.492 -0.934 -1.501
196 HA LEU 23 HA LEU 23 16.704 -1.498 -3.078
197 HB2 LEU 23 2HB LEU 23 14.732 0.134 -3.526
198 HB3 LEU 23 1HB LEU 23 15.730 1.330 -2.703
199 HG LEU 23 HG LEU 23 17.603 0.653 -4.328
200 HD11 LEU 23 1HD1 LEU 23 17.211 -0.815 -6.005
201 HD12 LEU 23 2HD1 LEU 23 15.607 -0.157 -6.327
202 HD13 LEU 23 3HD1 LEU 23 15.831 -1.342 -5.037
203 HD21 LEU 23 3HD2 LEU 23 15.368 2.431 -4.608
204 HD22 LEU 23 1HD2 LEU 23 15.788 1.800 -6.200
205 HD23 LEU 23 2HD2 LEU 23 17.006 2.624 -5.228
206 H LYS 24 H LYS 24 16.379 0.913 -0.533
207 HA LYS 24 HA LYS 24 19.186 1.600 -0.532
208 HB2 LYS 24 2HB LYS 24 16.757 2.417 0.940
209 HB3 LYS 24 1HB LYS 24 18.236 2.447 1.900
210 HG2 LYS 24 2HG LYS 24 18.191 4.589 0.930
211 HG3 LYS 24 1HG LYS 24 19.274 3.693 -0.129
212 HD2 LYS 24 2HD LYS 24 16.339 3.707 -0.755
213 HD3 LYS 24 1HD LYS 24 17.297 5.135 -1.146
214 HE2 LYS 24 2HE LYS 24 17.931 2.306 -2.059
215 HE3 LYS 24 1HE LYS 24 17.204 3.559 -3.055
216 HZ1 LYS 24 3HZ LYS 24 19.150 4.879 -2.877
217 HZ2 LYS 24 1HZ LYS 24 19.649 3.322 -3.324
218 HZ3 LYS 24 2HZ LYS 24 19.839 3.848 -1.721
219 H LYS 25 H LYS 25 17.037 -0.520 1.139
220 HA LYS 25 HA LYS 25 17.409 -2.410 2.384
221 HB2 LYS 25 2HB LYS 25 19.577 -2.407 0.813
222 HB3 LYS 25 1HB LYS 25 20.366 -2.129 2.366
223 HG2 LYS 25 2HG LYS 25 19.067 -4.105 3.273
224 HG3 LYS 25 1HG LYS 25 18.545 -4.436 1.623
225 HD2 LYS 25 2HD LYS 25 20.430 -5.762 1.658
226 HD3 LYS 25 1HD LYS 25 21.184 -4.246 1.170
227 HE2 LYS 25 2HE LYS 25 22.385 -5.362 3.052
228 HE3 LYS 25 1HE LYS 25 21.801 -3.755 3.476
229 HZ1 LYS 25 3HZ LYS 25 19.848 -5.754 4.006
230 HZ2 LYS 25 1HZ LYS 25 20.520 -4.600 5.062
231 HZ3 LYS 25 2HZ LYS 25 21.301 -6.091 4.807
232 H ALA 26 H ALA 26 18.229 -3.110 4.471
233 HA ALA 26 HA ALA 26 19.217 -0.972 6.223
234 HB1 ALA 26 1HB ALA 26 16.642 -2.525 6.584
235 HB2 ALA 26 2HB ALA 26 16.855 -0.775 6.551
236 HB3 ALA 26 3HB ALA 26 17.452 -1.710 7.921
Start of MODEL 15
1 H1 LYS 1 1HT LYS 1 -0.965 18.339 -6.224
2 H2 LYS 1 2HT LYS 1 -1.365 19.353 -7.522
3 H3 LYS 1 3HT LYS 1 -1.741 17.699 -7.583
4 HA LYS 1 HA LYS 1 -2.844 19.067 -5.305
5 HB2 LYS 1 2HB LYS 1 -4.731 19.946 -6.874
6 HB3 LYS 1 1HB LYS 1 -3.260 20.904 -6.719
7 HG2 LYS 1 2HG LYS 1 -2.382 19.967 -8.797
8 HG3 LYS 1 1HG LYS 1 -3.773 18.896 -8.928
9 HD2 LYS 1 2HD LYS 1 -5.240 20.956 -8.966
10 HD3 LYS 1 1HD LYS 1 -3.769 21.919 -9.087
11 HE2 LYS 1 2HE LYS 1 -5.087 21.116 -11.266
12 HE3 LYS 1 1HE LYS 1 -3.331 21.236 -11.245
13 HZ1 LYS 1 2HZ LYS 1 -4.758 18.744 -10.524
14 HZ2 LYS 1 3HZ LYS 1 -3.115 18.936 -10.914
15 HZ3 LYS 1 1HZ LYS 1 -4.297 19.099 -12.116
16 H LYS 2 H LYS 2 -4.458 17.768 -4.540
17 HA LYS 2 HA LYS 2 -5.702 15.832 -4.310
18 HB2 LYS 2 2HB LYS 2 -6.315 16.384 -7.231
19 HB3 LYS 2 1HB LYS 2 -7.264 15.363 -6.152
20 HG2 LYS 2 2HG LYS 2 -6.750 18.115 -5.175
21 HG3 LYS 2 1HG LYS 2 -7.789 17.995 -6.593
22 HD2 LYS 2 2HD LYS 2 -9.370 16.646 -5.481
23 HD3 LYS 2 1HD LYS 2 -8.249 16.241 -4.182
24 HE2 LYS 2 2HE LYS 2 -10.143 18.062 -3.823
25 HE3 LYS 2 1HE LYS 2 -8.545 18.283 -3.112
26 HZ1 LYS 2 3HZ LYS 2 -9.382 20.259 -4.318
27 HZ2 LYS 2 1HZ LYS 2 -9.366 19.364 -5.756
28 HZ3 LYS 2 2HZ LYS 2 -7.913 19.679 -4.940
29 H ALA 3 H ALA 3 -2.872 15.676 -5.348
30 HA ALA 3 HA ALA 3 -3.059 12.993 -6.576
31 HB1 ALA 3 1HB ALA 3 -2.113 14.370 -8.241
32 HB2 ALA 3 2HB ALA 3 -0.734 13.563 -7.489
33 HB3 ALA 3 3HB ALA 3 -1.114 15.235 -7.078
34 H LEU 4 H LEU 4 -3.201 13.064 -3.894
35 HA LEU 4 HA LEU 4 -0.481 12.361 -2.977
36 HB2 LEU 4 2HB LEU 4 -2.871 13.376 -1.421
37 HB3 LEU 4 1HB LEU 4 -1.418 12.721 -0.666
38 HG LEU 4 HG LEU 4 -0.423 14.557 -2.513
39 HD11 LEU 4 1HD1 LEU 4 -1.659 16.579 -2.273
40 HD12 LEU 4 2HD1 LEU 4 -2.696 15.890 -1.022
41 HD13 LEU 4 3HD1 LEU 4 -2.848 15.350 -2.695
42 HD21 LEU 4 3HD2 LEU 4 -1.010 14.817 0.450
43 HD22 LEU 4 1HD2 LEU 4 0.006 15.941 -0.450
44 HD23 LEU 4 2HD2 LEU 4 0.487 14.251 -0.294
45 H LEU 5 H LEU 5 -3.501 11.617 -1.398
46 HA LEU 5 HA LEU 5 -2.907 8.854 -1.142
47 HB2 LEU 5 2HB LEU 5 -5.634 10.172 -1.010
48 HB3 LEU 5 1HB LEU 5 -5.201 8.598 -0.353
49 HG LEU 5 HG LEU 5 -5.022 9.912 1.550
50 HD11 LEU 5 1HD1 LEU 5 -2.807 8.825 0.933
51 HD12 LEU 5 2HD1 LEU 5 -2.719 10.155 2.086
52 HD13 LEU 5 3HD1 LEU 5 -2.276 10.422 0.399
53 HD21 LEU 5 3HD2 LEU 5 -5.195 12.026 -0.166
54 HD22 LEU 5 1HD2 LEU 5 -3.539 12.206 0.414
55 HD23 LEU 5 2HD2 LEU 5 -4.877 12.181 1.559
56 H ALA 6 H ALA 6 -4.966 10.704 -3.274
57 HA ALA 6 HA ALA 6 -6.050 8.641 -4.816
58 HB1 ALA 6 1HB ALA 6 -5.403 10.944 -6.451
59 HB2 ALA 6 2HB ALA 6 -6.062 11.449 -4.898
60 HB3 ALA 6 3HB ALA 6 -6.983 10.357 -5.934
61 H LEU 7 H LEU 7 -2.931 10.210 -4.917
62 HA LEU 7 HA LEU 7 -2.034 9.185 -7.400
63 HB2 LEU 7 2HB LEU 7 -0.938 10.761 -5.296
64 HB3 LEU 7 1HB LEU 7 0.141 9.394 -5.528
65 HG LEU 7 HG LEU 7 -0.646 11.525 -7.515
66 HD11 LEU 7 1HD1 LEU 7 1.402 11.655 -6.010
67 HD12 LEU 7 2HD1 LEU 7 1.731 11.772 -7.738
68 HD13 LEU 7 3HD1 LEU 7 2.031 10.259 -6.885
69 HD21 LEU 7 3HD2 LEU 7 -0.856 9.872 -9.073
70 HD22 LEU 7 1HD2 LEU 7 -0.121 8.662 -8.021
71 HD23 LEU 7 2HD2 LEU 7 0.901 9.755 -8.956
72 H ALA 8 H ALA 8 -1.289 8.204 -4.106
73 HA ALA 8 HA ALA 8 -0.023 5.783 -4.565
74 HB1 ALA 8 1HB ALA 8 -0.045 5.918 -2.315
75 HB2 ALA 8 2HB ALA 8 -1.701 5.314 -2.365
76 HB3 ALA 8 3HB ALA 8 -1.393 7.050 -2.344
77 H LEU 9 H LEU 9 -3.422 6.405 -4.038
78 HA LEU 9 HA LEU 9 -4.547 3.922 -4.388
79 HB2 LEU 9 2HB LEU 9 -5.544 6.378 -4.028
80 HB3 LEU 9 1HB LEU 9 -5.889 6.199 -5.745
81 HG LEU 9 HG LEU 9 -6.880 4.513 -3.442
82 HD11 LEU 9 1HD1 LEU 9 -8.198 5.938 -5.768
83 HD12 LEU 9 2HD1 LEU 9 -8.227 6.440 -4.077
84 HD13 LEU 9 3HD1 LEU 9 -9.053 4.962 -4.571
85 HD21 LEU 9 3HD2 LEU 9 -6.146 2.869 -5.061
86 HD22 LEU 9 1HD2 LEU 9 -6.826 3.807 -6.392
87 HD23 LEU 9 2HD2 LEU 9 -7.894 3.026 -5.228
88 H HIS 10 H HIS 10 -3.863 6.311 -6.895
89 HA HIS 10 HA HIS 10 -4.760 5.057 -9.148
90 HB2 HIS 10 2HB HIS 10 -3.781 7.265 -9.282
91 HB3 HIS 10 1HB HIS 10 -2.199 6.634 -8.837
92 HD1 HIS 10 1HD HIS 10 -4.455 4.853 -11.271
93 HD2 HIS 10 2HD HIS 10 -1.014 7.214 -11.333
94 HE1 HIS 10 1HE HIS 10 -3.537 4.730 -13.632
95 HE2 HIS 10 2HE HIS 10 -1.429 6.150 -13.683
96 H HIS 11 H HIS 11 -1.435 4.717 -7.940
97 HA HIS 11 HA HIS 11 -0.993 2.387 -9.621
98 HB2 HIS 11 2HB HIS 11 0.921 2.986 -7.420
99 HB3 HIS 11 1HB HIS 11 1.236 2.561 -9.099
100 HD1 HIS 11 1HD HIS 11 1.202 4.498 -10.852
101 HD2 HIS 11 2HD HIS 11 0.710 5.749 -6.903
102 HE1 HIS 11 1HE HIS 11 1.606 7.001 -10.835
103 HE2 HIS 11 2HE HIS 11 1.330 7.775 -8.435
104 H LEU 12 H LEU 12 0.271 0.534 -8.296
105 HA LEU 12 HA LEU 12 -1.710 -0.731 -6.678
106 HB2 LEU 12 2HB LEU 12 1.224 -1.456 -6.882
107 HB3 LEU 12 1HB LEU 12 -0.110 -2.514 -6.414
108 HG LEU 12 HG LEU 12 -0.989 -1.609 -8.843
109 HD11 LEU 12 1HD1 LEU 12 1.756 -2.329 -9.634
110 HD12 LEU 12 2HD1 LEU 12 1.626 -0.755 -8.849
111 HD13 LEU 12 3HD1 LEU 12 0.676 -1.101 -10.294
112 HD21 LEU 12 3HD2 LEU 12 0.830 -3.999 -8.478
113 HD22 LEU 12 1HD2 LEU 12 -0.470 -3.815 -9.654
114 HD23 LEU 12 2HD2 LEU 12 -0.849 -3.959 -7.937
115 H ALA 13 H ALA 13 1.416 0.726 -6.054
116 HA ALA 13 HA ALA 13 2.391 1.639 -4.194
117 HB1 ALA 13 1HB ALA 13 0.206 2.976 -4.364
118 HB2 ALA 13 2HB ALA 13 1.029 2.981 -2.804
119 HB3 ALA 13 3HB ALA 13 -0.382 1.953 -3.054
120 H HIS 14 H HIS 14 2.424 1.517 -1.737
121 HA HIS 14 HA HIS 14 2.707 0.333 0.185
122 HB2 HIS 14 2HB HIS 14 0.387 -1.074 -1.050
123 HB3 HIS 14 1HB HIS 14 1.240 -1.890 0.258
124 HD1 HIS 14 1HD HIS 14 1.572 -0.355 2.507
125 HD2 HIS 14 2HD HIS 14 -1.375 0.890 -0.177
126 HE1 HIS 14 1HE HIS 14 0.096 1.286 3.760
127 HE2 HIS 14 2HE HIS 14 -1.695 2.064 2.134
128 H LEU 15 H LEU 15 2.716 -1.321 -2.824
129 HA LEU 15 HA LEU 15 4.397 -3.503 -1.962
130 HB2 LEU 15 2HB LEU 15 2.675 -3.194 -4.033
131 HB3 LEU 15 1HB LEU 15 4.206 -2.848 -4.841
132 HG LEU 15 HG LEU 15 4.280 -5.192 -3.045
133 HD11 LEU 15 1HD1 LEU 15 3.204 -6.459 -5.158
134 HD12 LEU 15 2HD1 LEU 15 2.284 -4.956 -5.240
135 HD13 LEU 15 3HD1 LEU 15 2.242 -5.932 -3.773
136 HD21 LEU 15 3HD2 LEU 15 6.049 -4.361 -4.726
137 HD22 LEU 15 1HD2 LEU 15 4.986 -4.989 -5.980
138 HD23 LEU 15 2HD2 LEU 15 5.663 -6.078 -4.774
139 H ALA 16 H ALA 16 4.883 -0.281 -2.757
140 HA ALA 16 HA ALA 16 7.627 -0.773 -3.688
141 HB1 ALA 16 1HB ALA 16 5.914 0.736 -4.938
142 HB2 ALA 16 2HB ALA 16 7.580 1.289 -4.760
143 HB3 ALA 16 3HB ALA 16 6.325 1.922 -3.696
144 H LEU 17 H LEU 17 5.864 1.256 -1.379
145 HA LEU 17 HA LEU 17 7.764 2.745 -0.228
146 HB2 LEU 17 2HB LEU 17 6.551 2.724 1.830
147 HB3 LEU 17 1HB LEU 17 5.385 2.590 0.519
148 HG LEU 17 HG LEU 17 5.730 -0.015 0.964
149 HD11 LEU 17 1HD1 LEU 17 6.498 -0.602 3.052
150 HD12 LEU 17 2HD1 LEU 17 5.892 0.874 3.798
151 HD13 LEU 17 3HD1 LEU 17 7.406 0.903 2.899
152 HD21 LEU 17 3HD2 LEU 17 3.718 1.701 1.353
153 HD22 LEU 17 1HD2 LEU 17 4.101 1.366 3.042
154 HD23 LEU 17 2HD2 LEU 17 3.656 0.045 1.962
155 H HIS 18 H HIS 18 7.203 -0.596 0.596
156 HA HIS 18 HA HIS 18 9.406 -0.789 2.422
157 HB2 HIS 18 2HB HIS 18 8.861 -3.107 2.551
158 HB3 HIS 18 1HB HIS 18 7.347 -2.241 2.351
159 HD1 HIS 18 1HD HIS 18 9.189 -4.991 0.946
160 HD2 HIS 18 2HD HIS 18 6.526 -2.130 -0.526
161 HE1 HIS 18 1HE HIS 18 8.393 -5.847 -1.308
162 HE2 HIS 18 2HE HIS 18 6.737 -4.130 -2.205
163 H LEU 19 H LEU 19 8.823 -1.842 -0.850
164 HA LEU 19 HA LEU 19 11.305 -3.012 -1.394
165 HB2 LEU 19 2HB LEU 19 9.275 -3.154 -2.864
166 HB3 LEU 19 1HB LEU 19 9.554 -1.478 -3.331
167 HG LEU 19 HG LEU 19 11.989 -3.060 -3.581
168 HD11 LEU 19 1HD1 LEU 19 11.304 -4.540 -5.353
169 HD12 LEU 19 2HD1 LEU 19 9.666 -3.886 -5.341
170 HD13 LEU 19 3HD1 LEU 19 10.246 -4.846 -3.977
171 HD21 LEU 19 3HD2 LEU 19 11.889 -0.998 -4.719
172 HD22 LEU 19 1HD2 LEU 19 10.259 -1.299 -5.320
173 HD23 LEU 19 2HD2 LEU 19 11.628 -2.174 -6.006
174 H ALA 20 H ALA 20 10.180 0.252 -1.275
175 HA ALA 20 HA ALA 20 12.361 1.525 -2.573
176 HB1 ALA 20 1HB ALA 20 10.085 2.539 -1.847
177 HB2 ALA 20 2HB ALA 20 11.525 3.552 -1.711
178 HB3 ALA 20 3HB ALA 20 10.857 2.771 -0.278
179 H LEU 21 H LEU 21 11.699 0.677 0.768
180 HA LEU 21 HA LEU 21 14.151 1.678 1.829
181 HB2 LEU 21 2HB LEU 21 11.958 -0.094 2.796
182 HB3 LEU 21 1HB LEU 21 13.511 -0.207 3.620
183 HG LEU 21 HG LEU 21 13.469 2.090 4.245
184 HD11 LEU 21 1HD1 LEU 21 11.475 3.527 3.455
185 HD12 LEU 21 2HD1 LEU 21 11.261 2.312 2.197
186 HD13 LEU 21 3HD1 LEU 21 12.765 3.227 2.292
187 HD21 LEU 21 3HD2 LEU 21 11.306 2.303 5.439
188 HD22 LEU 21 1HD2 LEU 21 11.971 0.678 5.588
189 HD23 LEU 21 2HD2 LEU 21 10.647 0.992 4.464
190 H ALA 22 H ALA 22 13.008 -1.495 0.827
191 HA ALA 22 HA ALA 22 15.339 -2.966 1.350
192 HB1 ALA 22 1HB ALA 22 14.314 -4.695 0.246
193 HB2 ALA 22 2HB ALA 22 13.755 -3.662 -1.070
194 HB3 ALA 22 3HB ALA 22 12.908 -3.658 0.477
195 H LEU 23 H LEU 23 14.341 -1.171 -1.515
196 HA LEU 23 HA LEU 23 16.421 -1.875 -3.236
197 HB2 LEU 23 2HB LEU 23 14.380 0.151 -3.152
198 HB3 LEU 23 1HB LEU 23 15.904 0.879 -3.657
199 HG LEU 23 HG LEU 23 14.617 0.003 -5.595
200 HD11 LEU 23 1HD1 LEU 23 17.309 -0.316 -5.038
201 HD12 LEU 23 2HD1 LEU 23 16.558 -0.548 -6.615
202 HD13 LEU 23 3HD1 LEU 23 16.819 -1.930 -5.555
203 HD21 LEU 23 3HD2 LEU 23 13.896 -2.046 -3.950
204 HD22 LEU 23 1HD2 LEU 23 15.206 -2.811 -4.847
205 HD23 LEU 23 2HD2 LEU 23 13.818 -2.145 -5.708
206 H LYS 24 H LYS 24 16.233 0.842 -0.987
207 HA LYS 24 HA LYS 24 18.960 1.652 -1.409
208 HB2 LYS 24 2HB LYS 24 17.116 2.326 0.903
209 HB3 LYS 24 1HB LYS 24 18.593 3.181 0.460
210 HG2 LYS 24 2HG LYS 24 17.601 3.784 -1.720
211 HG3 LYS 24 1HG LYS 24 16.121 2.930 -1.284
212 HD2 LYS 24 2HD LYS 24 17.232 5.127 0.464
213 HD3 LYS 24 1HD LYS 24 16.192 5.493 -0.912
214 HE2 LYS 24 2HE LYS 24 14.350 4.333 0.003
215 HE3 LYS 24 1HE LYS 24 15.362 3.434 1.132
216 HZ1 LYS 24 3HZ LYS 24 15.740 6.134 1.665
217 HZ2 LYS 24 1HZ LYS 24 14.952 4.982 2.626
218 HZ3 LYS 24 2HZ LYS 24 14.067 5.904 1.503
219 H LYS 25 H LYS 25 17.251 -0.415 0.809
220 HA LYS 25 HA LYS 25 17.934 -1.923 2.374
221 HB2 LYS 25 2HB LYS 25 19.909 -2.055 0.369
222 HB3 LYS 25 1HB LYS 25 20.784 -1.989 1.896
223 HG2 LYS 25 2HG LYS 25 18.524 -3.900 1.235
224 HG3 LYS 25 1HG LYS 25 20.233 -4.318 1.309
225 HD2 LYS 25 2HD LYS 25 18.636 -3.219 3.647
226 HD3 LYS 25 1HD LYS 25 18.994 -4.924 3.404
227 HE2 LYS 25 2HE LYS 25 20.917 -2.674 4.019
228 HE3 LYS 25 1HE LYS 25 20.670 -4.177 4.905
229 HZ1 LYS 25 3HZ LYS 25 22.651 -4.407 3.673
230 HZ2 LYS 25 1HZ LYS 25 21.931 -3.837 2.249
231 HZ3 LYS 25 2HZ LYS 25 21.482 -5.347 2.881
232 H ALA 26 H ALA 26 17.452 0.113 3.574
233 HA ALA 26 HA ALA 26 19.353 0.401 5.682
234 HB1 ALA 26 1HB ALA 26 20.039 2.640 5.426
235 HB2 ALA 26 2HB ALA 26 18.842 2.961 4.171
236 HB3 ALA 26 3HB ALA 26 20.240 1.944 3.818
Start of MODEL 16
1 H1 LYS 1 1HT LYS 1 -14.787 -5.966 -12.524
2 H2 LYS 1 2HT LYS 1 -14.403 -5.283 -11.018
3 H3 LYS 1 3HT LYS 1 -14.946 -6.888 -11.113
4 HA LYS 1 HA LYS 1 -12.405 -6.273 -10.884
5 HB2 LYS 1 2HB LYS 1 -13.864 -8.545 -11.341
6 HB3 LYS 1 1HB LYS 1 -12.873 -8.489 -12.797
7 HG2 LYS 1 2HG LYS 1 -10.852 -8.575 -11.568
8 HG3 LYS 1 1HG LYS 1 -11.650 -8.117 -10.060
9 HD2 LYS 1 2HD LYS 1 -12.972 -10.287 -10.244
10 HD3 LYS 1 1HD LYS 1 -11.874 -10.747 -11.542
11 HE2 LYS 1 2HE LYS 1 -10.873 -9.896 -8.821
12 HE3 LYS 1 1HE LYS 1 -11.278 -11.571 -9.186
13 HZ1 LYS 1 2HZ LYS 1 -8.996 -11.341 -9.612
14 HZ2 LYS 1 3HZ LYS 1 -9.203 -9.884 -10.460
15 HZ3 LYS 1 1HZ LYS 1 -9.734 -11.344 -11.138
16 H LYS 2 H LYS 2 -12.810 -4.171 -12.406
17 HA LYS 2 HA LYS 2 -11.328 -4.746 -14.892
18 HB2 LYS 2 2HB LYS 2 -13.817 -3.116 -14.510
19 HB3 LYS 2 1HB LYS 2 -12.651 -2.639 -15.743
20 HG2 LYS 2 2HG LYS 2 -13.219 -5.518 -15.756
21 HG3 LYS 2 1HG LYS 2 -14.644 -4.528 -16.077
22 HD2 LYS 2 2HD LYS 2 -13.226 -3.261 -17.782
23 HD3 LYS 2 1HD LYS 2 -12.017 -4.530 -17.584
24 HE2 LYS 2 2HE LYS 2 -14.801 -4.740 -18.724
25 HE3 LYS 2 1HE LYS 2 -13.276 -5.298 -19.416
26 HZ1 LYS 2 3HZ LYS 2 -13.147 -6.921 -17.579
27 HZ2 LYS 2 1HZ LYS 2 -14.478 -7.170 -18.594
28 HZ3 LYS 2 2HZ LYS 2 -14.695 -6.447 -17.075
29 H ALA 3 H ALA 3 -9.647 -4.255 -13.178
30 HA ALA 3 HA ALA 3 -9.349 -1.593 -12.202
31 HB1 ALA 3 1HB ALA 3 -7.158 -2.279 -11.482
32 HB2 ALA 3 2HB ALA 3 -7.141 -3.628 -12.619
33 HB3 ALA 3 3HB ALA 3 -8.236 -3.653 -11.235
34 H LEU 4 H LEU 4 -9.653 -0.226 -13.986
35 HA LEU 4 HA LEU 4 -7.589 -0.352 -16.085
36 HB2 LEU 4 2HB LEU 4 -10.297 0.980 -15.940
37 HB3 LEU 4 1HB LEU 4 -9.117 1.396 -17.184
38 HG LEU 4 HG LEU 4 -9.821 -1.488 -16.685
39 HD11 LEU 4 1HD1 LEU 4 -11.969 -0.332 -17.001
40 HD12 LEU 4 2HD1 LEU 4 -11.565 -1.294 -18.425
41 HD13 LEU 4 3HD1 LEU 4 -11.344 0.457 -18.453
42 HD21 LEU 4 3HD2 LEU 4 -9.160 -0.082 -19.273
43 HD22 LEU 4 1HD2 LEU 4 -8.998 -1.789 -18.880
44 HD23 LEU 4 2HD2 LEU 4 -7.894 -0.616 -18.168
45 H LEU 5 H LEU 5 -9.398 2.423 -14.979
46 HA LEU 5 HA LEU 5 -7.295 4.240 -15.007
47 HB2 LEU 5 2HB LEU 5 -9.483 5.144 -14.833
48 HB3 LEU 5 1HB LEU 5 -9.863 4.158 -13.425
49 HG LEU 5 HG LEU 5 -8.188 5.418 -12.100
50 HD11 LEU 5 1HD1 LEU 5 -6.681 6.054 -13.927
51 HD12 LEU 5 2HD1 LEU 5 -7.236 7.491 -13.069
52 HD13 LEU 5 3HD1 LEU 5 -7.945 7.071 -14.629
53 HD21 LEU 5 3HD2 LEU 5 -10.011 7.400 -13.463
54 HD22 LEU 5 1HD2 LEU 5 -9.537 7.333 -11.768
55 HD23 LEU 5 2HD2 LEU 5 -10.653 6.135 -12.418
56 H ALA 6 H ALA 6 -8.502 2.183 -12.454
57 HA ALA 6 HA ALA 6 -6.908 2.997 -10.320
58 HB1 ALA 6 1HB ALA 6 -8.735 0.933 -10.769
59 HB2 ALA 6 2HB ALA 6 -7.901 1.281 -9.254
60 HB3 ALA 6 3HB ALA 6 -7.226 0.105 -10.381
61 H LEU 7 H LEU 7 -6.258 0.530 -12.776
62 HA LEU 7 HA LEU 7 -3.783 -0.362 -11.901
63 HB2 LEU 7 2HB LEU 7 -5.056 -1.300 -13.829
64 HB3 LEU 7 1HB LEU 7 -4.612 0.115 -14.776
65 HG LEU 7 HG LEU 7 -3.190 -2.027 -15.043
66 HD11 LEU 7 1HD1 LEU 7 -2.618 0.651 -15.356
67 HD12 LEU 7 2HD1 LEU 7 -1.593 -0.674 -15.906
68 HD13 LEU 7 3HD1 LEU 7 -1.278 0.096 -14.349
69 HD21 LEU 7 3HD2 LEU 7 -1.804 -0.971 -12.575
70 HD22 LEU 7 1HD2 LEU 7 -1.567 -2.513 -13.397
71 HD23 LEU 7 2HD2 LEU 7 -3.034 -2.231 -12.465
72 H ALA 8 H ALA 8 -4.579 2.413 -13.867
73 HA ALA 8 HA ALA 8 -1.902 3.317 -14.270
74 HB1 ALA 8 1HB ALA 8 -4.431 3.977 -15.263
75 HB2 ALA 8 2HB ALA 8 -2.900 4.737 -15.696
76 HB3 ALA 8 3HB ALA 8 -3.886 5.424 -14.406
77 H LEU 9 H LEU 9 -4.552 4.552 -12.322
78 HA LEU 9 HA LEU 9 -3.028 6.509 -10.960
79 HB2 LEU 9 2HB LEU 9 -5.418 6.746 -11.068
80 HB3 LEU 9 1HB LEU 9 -5.656 5.184 -10.289
81 HG LEU 9 HG LEU 9 -4.638 6.030 -8.222
82 HD11 LEU 9 1HD1 LEU 9 -4.148 8.451 -9.940
83 HD12 LEU 9 2HD1 LEU 9 -3.036 7.617 -8.856
84 HD13 LEU 9 3HD1 LEU 9 -4.321 8.629 -8.196
85 HD21 LEU 9 3HD2 LEU 9 -6.374 8.226 -8.244
86 HD22 LEU 9 1HD2 LEU 9 -6.789 6.576 -7.780
87 HD23 LEU 9 2HD2 LEU 9 -7.061 7.122 -9.433
88 H HIS 10 H HIS 10 -4.108 3.299 -9.957
89 HA HIS 10 HA HIS 10 -2.795 3.403 -7.416
90 HB2 HIS 10 2HB HIS 10 -4.795 1.920 -8.103
91 HB3 HIS 10 1HB HIS 10 -3.593 0.857 -8.830
92 HD1 HIS 10 1HD HIS 10 -3.698 2.745 -5.513
93 HD2 HIS 10 2HD HIS 10 -3.020 -1.100 -6.990
94 HE1 HIS 10 1HE HIS 10 -3.139 1.294 -3.511
95 HE2 HIS 10 2HE HIS 10 -2.672 -1.048 -4.399
96 H HIS 11 H HIS 11 -1.444 1.096 -7.107
97 HA HIS 11 HA HIS 11 0.642 0.172 -7.301
98 HB2 HIS 11 2HB HIS 11 0.358 0.892 -10.230
99 HB3 HIS 11 1HB HIS 11 1.477 -0.284 -9.545
100 HD1 HIS 11 1HD HIS 11 0.521 -2.569 -8.815
101 HD2 HIS 11 2HD HIS 11 -2.392 0.058 -10.241
102 HE1 HIS 11 1HE HIS 11 -1.590 -3.931 -9.133
103 HE2 HIS 11 2HE HIS 11 -3.381 -2.346 -9.979
104 H LEU 12 H LEU 12 0.279 3.049 -6.769
105 HA LEU 12 HA LEU 12 2.542 4.369 -8.018
106 HB2 LEU 12 2HB LEU 12 0.408 5.128 -6.084
107 HB3 LEU 12 1HB LEU 12 1.927 6.013 -5.986
108 HG LEU 12 HG LEU 12 0.448 5.612 -8.598
109 HD11 LEU 12 1HD1 LEU 12 -0.212 8.082 -8.181
110 HD12 LEU 12 2HD1 LEU 12 0.154 7.757 -6.488
111 HD13 LEU 12 3HD1 LEU 12 -1.113 6.846 -7.307
112 HD21 LEU 12 3HD2 LEU 12 2.654 7.452 -7.631
113 HD22 LEU 12 1HD2 LEU 12 1.800 7.692 -9.158
114 HD23 LEU 12 2HD2 LEU 12 2.755 6.230 -8.900
115 H ALA 13 H ALA 13 1.767 4.094 -4.603
116 HA ALA 13 HA ALA 13 4.322 2.792 -4.074
117 HB1 ALA 13 1HB ALA 13 5.314 4.781 -3.647
118 HB2 ALA 13 2HB ALA 13 4.439 4.670 -2.122
119 HB3 ALA 13 3HB ALA 13 3.775 5.624 -3.445
120 H HIS 14 H HIS 14 4.281 1.542 -2.369
121 HA HIS 14 HA HIS 14 3.046 1.623 0.029
122 HB2 HIS 14 2HB HIS 14 1.010 1.240 -1.994
123 HB3 HIS 14 1HB HIS 14 1.109 -0.181 -0.954
124 HD1 HIS 14 1HD HIS 14 -0.536 0.049 0.909
125 HD2 HIS 14 2HD HIS 14 1.293 3.699 0.008
126 HE1 HIS 14 1HE HIS 14 -1.444 1.745 2.571
127 HE2 HIS 14 2HE HIS 14 -0.353 3.986 2.015
128 H LEU 15 H LEU 15 2.671 -0.818 -2.489
129 HA LEU 15 HA LEU 15 3.893 -2.879 -0.891
130 HB2 LEU 15 2HB LEU 15 2.906 -2.679 -3.728
131 HB3 LEU 15 1HB LEU 15 3.954 -4.022 -3.267
132 HG LEU 15 HG LEU 15 2.357 -4.430 -1.317
133 HD11 LEU 15 1HD1 LEU 15 -0.035 -3.509 -2.214
134 HD12 LEU 15 2HD1 LEU 15 1.004 -2.182 -2.716
135 HD13 LEU 15 3HD1 LEU 15 0.935 -2.651 -1.019
136 HD21 LEU 15 3HD2 LEU 15 0.759 -5.657 -2.724
137 HD22 LEU 15 1HD2 LEU 15 2.390 -5.814 -3.382
138 HD23 LEU 15 2HD2 LEU 15 1.241 -4.705 -4.127
139 H ALA 16 H ALA 16 4.879 -0.465 -3.100
140 HA ALA 16 HA ALA 16 7.486 -1.590 -3.624
141 HB1 ALA 16 1HB ALA 16 7.479 1.174 -4.241
142 HB2 ALA 16 2HB ALA 16 5.890 0.557 -4.694
143 HB3 ALA 16 3HB ALA 16 7.345 -0.177 -5.370
144 H LEU 17 H LEU 17 6.022 0.750 -1.490
145 HA LEU 17 HA LEU 17 8.083 2.205 -0.499
146 HB2 LEU 17 2HB LEU 17 6.528 2.808 1.007
147 HB3 LEU 17 1HB LEU 17 5.491 1.537 0.374
148 HG LEU 17 HG LEU 17 6.750 -0.048 1.979
149 HD11 LEU 17 1HD1 LEU 17 7.262 2.220 3.779
150 HD12 LEU 17 2HD1 LEU 17 8.336 2.175 2.381
151 HD13 LEU 17 3HD1 LEU 17 8.245 0.788 3.468
152 HD21 LEU 17 3HD2 LEU 17 4.967 2.179 2.999
153 HD22 LEU 17 1HD2 LEU 17 5.334 0.715 3.911
154 HD23 LEU 17 2HD2 LEU 17 4.452 0.604 2.387
155 H HIS 18 H HIS 18 7.249 -1.077 0.356
156 HA HIS 18 HA HIS 18 9.350 -1.536 2.205
157 HB2 HIS 18 2HB HIS 18 8.220 -3.657 0.396
158 HB3 HIS 18 1HB HIS 18 8.800 -3.815 2.045
159 HD1 HIS 18 1HD HIS 18 7.133 -3.347 3.931
160 HD2 HIS 18 2HD HIS 18 5.676 -2.332 0.162
161 HE1 HIS 18 1HE HIS 18 4.683 -2.757 4.240
162 HE2 HIS 18 2HE HIS 18 3.782 -2.116 1.946
163 H LEU 19 H LEU 19 8.958 -2.475 -1.151
164 HA LEU 19 HA LEU 19 11.524 -3.451 -1.650
165 HB2 LEU 19 2HB LEU 19 9.999 -3.883 -3.349
166 HB3 LEU 19 1HB LEU 19 9.357 -2.244 -3.327
167 HG LEU 19 HG LEU 19 12.220 -2.630 -4.125
168 HD11 LEU 19 1HD1 LEU 19 10.209 -4.118 -5.369
169 HD12 LEU 19 2HD1 LEU 19 11.791 -3.728 -6.042
170 HD13 LEU 19 3HD1 LEU 19 10.404 -2.701 -6.401
171 HD21 LEU 19 3HD2 LEU 19 10.487 -0.468 -3.993
172 HD22 LEU 19 1HD2 LEU 19 10.434 -0.904 -5.698
173 HD23 LEU 19 2HD2 LEU 19 11.973 -0.521 -4.937
174 H ALA 20 H ALA 20 10.268 -0.249 -1.419
175 HA ALA 20 HA ALA 20 12.448 1.159 -2.585
176 HB1 ALA 20 1HB ALA 20 11.413 3.099 -1.850
177 HB2 ALA 20 2HB ALA 20 10.866 2.356 -0.345
178 HB3 ALA 20 3HB ALA 20 10.041 1.987 -1.860
179 H LEU 21 H LEU 21 11.572 0.484 0.766
180 HA LEU 21 HA LEU 21 13.953 1.478 1.927
181 HB2 LEU 21 2HB LEU 21 11.763 -0.355 2.801
182 HB3 LEU 21 1HB LEU 21 13.272 -0.385 3.717
183 HG LEU 21 HG LEU 21 13.137 2.055 4.043
184 HD11 LEU 21 1HD1 LEU 21 11.938 2.581 1.951
185 HD12 LEU 21 2HD1 LEU 21 11.119 3.266 3.349
186 HD13 LEU 21 3HD1 LEU 21 10.491 1.808 2.591
187 HD21 LEU 21 3HD2 LEU 21 10.568 0.611 4.761
188 HD22 LEU 21 1HD2 LEU 21 11.177 2.072 5.534
189 HD23 LEU 21 2HD2 LEU 21 12.069 0.560 5.689
190 H ALA 22 H ALA 22 12.995 -1.578 0.590
191 HA ALA 22 HA ALA 22 15.300 -3.069 1.332
192 HB1 ALA 22 1HB ALA 22 14.412 -4.778 0.066
193 HB2 ALA 22 2HB ALA 22 13.873 -3.690 -1.213
194 HB3 ALA 22 3HB ALA 22 12.959 -3.809 0.290
195 H LEU 23 H LEU 23 14.451 -1.073 -1.412
196 HA LEU 23 HA LEU 23 16.846 -1.620 -2.907
197 HB2 LEU 23 2HB LEU 23 14.726 -0.981 -4.016
198 HB3 LEU 23 1HB LEU 23 14.800 0.589 -3.216
199 HG LEU 23 HG LEU 23 17.169 0.768 -4.321
200 HD11 LEU 23 1HD1 LEU 23 17.335 -1.524 -5.126
201 HD12 LEU 23 2HD1 LEU 23 17.232 -0.444 -6.518
202 HD13 LEU 23 3HD1 LEU 23 15.817 -1.366 -6.006
203 HD21 LEU 23 3HD2 LEU 23 14.876 0.850 -6.271
204 HD22 LEU 23 1HD2 LEU 23 16.209 1.988 -6.074
205 HD23 LEU 23 2HD2 LEU 23 14.905 1.948 -4.890
206 H LYS 24 H LYS 24 15.594 1.206 -1.183
207 HA LYS 24 HA LYS 24 17.974 2.742 -1.432
208 HB2 LYS 24 2HB LYS 24 15.700 2.948 0.539
209 HB3 LYS 24 1HB LYS 24 16.961 4.164 0.327
210 HG2 LYS 24 2HG LYS 24 16.142 4.864 -1.714
211 HG3 LYS 24 1HG LYS 24 15.502 3.272 -2.123
212 HD2 LYS 24 2HD LYS 24 13.793 5.134 -1.578
213 HD3 LYS 24 1HD LYS 24 13.570 3.575 -0.787
214 HE2 LYS 24 2HE LYS 24 13.329 5.424 0.828
215 HE3 LYS 24 1HE LYS 24 14.722 4.425 1.228
216 HZ1 LYS 24 3HZ LYS 24 15.902 6.182 -0.335
217 HZ2 LYS 24 1HZ LYS 24 15.685 6.468 1.323
218 HZ3 LYS 24 2HZ LYS 24 14.620 7.158 0.198
219 H LYS 25 H LYS 25 16.711 0.586 1.009
220 HA LYS 25 HA LYS 25 17.821 -0.606 2.655
221 HB2 LYS 25 2HB LYS 25 19.862 -0.391 1.119
222 HB3 LYS 25 1HB LYS 25 20.306 1.011 2.087
223 HG2 LYS 25 2HG LYS 25 21.455 -0.822 3.073
224 HG3 LYS 25 1HG LYS 25 20.090 -0.497 4.139
225 HD2 LYS 25 2HD LYS 25 18.941 -2.405 3.485
226 HD3 LYS 25 1HD LYS 25 19.718 -2.458 1.901
227 HE2 LYS 25 2HE LYS 25 21.201 -2.951 4.488
228 HE3 LYS 25 1HE LYS 25 20.475 -4.242 3.531
229 HZ1 LYS 25 3HZ LYS 25 22.952 -3.076 3.153
230 HZ2 LYS 25 1HZ LYS 25 21.989 -2.528 1.871
231 HZ3 LYS 25 2HZ LYS 25 22.168 -4.192 2.138
232 H ALA 26 H ALA 26 20.133 1.439 3.781
233 HA ALA 26 HA ALA 26 18.322 2.512 5.816
234 HB1 ALA 26 1HB ALA 26 20.569 3.290 6.827
235 HB2 ALA 26 2HB ALA 26 21.322 2.272 5.598
236 HB3 ALA 26 3HB ALA 26 20.244 1.553 6.796
Start of MODEL 17
1 H1 LYS 1 1HT LYS 1 -9.764 4.007 -14.423
2 H2 LYS 1 2HT LYS 1 -10.684 3.189 -15.590
3 H3 LYS 1 3HT LYS 1 -11.454 4.029 -14.334
4 HA LYS 1 HA LYS 1 -10.952 4.993 -16.828
5 HB2 LYS 1 2HB LYS 1 -11.337 6.541 -14.237
6 HB3 LYS 1 1HB LYS 1 -11.658 7.151 -15.861
7 HG2 LYS 1 2HG LYS 1 -13.304 5.257 -16.166
8 HG3 LYS 1 1HG LYS 1 -13.093 4.878 -14.456
9 HD2 LYS 1 2HD LYS 1 -13.556 7.679 -14.620
10 HD3 LYS 1 1HD LYS 1 -14.753 6.905 -15.659
11 HE2 LYS 1 2HE LYS 1 -15.619 7.081 -13.368
12 HE3 LYS 1 1HE LYS 1 -15.374 5.387 -13.788
13 HZ1 LYS 1 2HZ LYS 1 -13.527 5.230 -12.448
14 HZ2 LYS 1 3HZ LYS 1 -14.501 6.286 -11.548
15 HZ3 LYS 1 1HZ LYS 1 -13.216 6.899 -12.468
16 H LYS 2 H LYS 2 -9.718 7.016 -17.387
17 HA LYS 2 HA LYS 2 -6.931 6.659 -16.881
18 HB2 LYS 2 2HB LYS 2 -8.361 9.058 -18.075
19 HB3 LYS 2 1HB LYS 2 -6.639 8.704 -18.207
20 HG2 LYS 2 2HG LYS 2 -6.960 7.138 -19.835
21 HG3 LYS 2 1HG LYS 2 -8.383 6.474 -19.036
22 HD2 LYS 2 2HD LYS 2 -9.129 7.449 -21.114
23 HD3 LYS 2 1HD LYS 2 -9.670 8.512 -19.817
24 HE2 LYS 2 2HE LYS 2 -8.472 9.523 -21.950
25 HE3 LYS 2 1HE LYS 2 -8.118 10.177 -20.351
26 HZ1 LYS 2 3HZ LYS 2 -6.124 9.672 -21.707
27 HZ2 LYS 2 1HZ LYS 2 -6.542 8.030 -21.663
28 HZ3 LYS 2 2HZ LYS 2 -6.152 8.847 -20.223
29 H ALA 3 H ALA 3 -7.974 6.808 -14.409
30 HA ALA 3 HA ALA 3 -7.554 9.547 -13.431
31 HB1 ALA 3 1HB ALA 3 -9.492 8.685 -12.446
32 HB2 ALA 3 2HB ALA 3 -8.271 8.357 -11.219
33 HB3 ALA 3 3HB ALA 3 -8.811 7.065 -12.289
34 H LEU 4 H LEU 4 -5.400 7.739 -14.437
35 HA LEU 4 HA LEU 4 -3.885 6.494 -12.539
36 HB2 LEU 4 2HB LEU 4 -1.887 7.603 -13.888
37 HB3 LEU 4 1HB LEU 4 -2.892 6.354 -14.617
38 HG LEU 4 HG LEU 4 -3.914 9.128 -14.896
39 HD11 LEU 4 1HD1 LEU 4 -1.385 8.173 -16.249
40 HD12 LEU 4 2HD1 LEU 4 -1.585 9.616 -15.254
41 HD13 LEU 4 3HD1 LEU 4 -2.356 9.521 -16.839
42 HD21 LEU 4 3HD2 LEU 4 -3.443 7.257 -17.172
43 HD22 LEU 4 1HD2 LEU 4 -4.837 8.285 -16.832
44 HD23 LEU 4 2HD2 LEU 4 -4.630 6.767 -15.959
45 H LEU 5 H LEU 5 -3.827 9.918 -13.332
46 HA LEU 5 HA LEU 5 -1.968 10.844 -11.511
47 HB2 LEU 5 2HB LEU 5 -4.243 12.640 -11.562
48 HB3 LEU 5 1HB LEU 5 -2.633 12.867 -12.243
49 HG LEU 5 HG LEU 5 -3.399 11.363 -14.180
50 HD11 LEU 5 1HD1 LEU 5 -5.551 10.827 -12.613
51 HD12 LEU 5 2HD1 LEU 5 -5.589 10.712 -14.370
52 HD13 LEU 5 3HD1 LEU 5 -6.194 12.160 -13.573
53 HD21 LEU 5 3HD2 LEU 5 -5.049 13.872 -13.953
54 HD22 LEU 5 1HD2 LEU 5 -4.221 13.217 -15.368
55 HD23 LEU 5 2HD2 LEU 5 -3.291 13.961 -14.064
56 H ALA 6 H ALA 6 -5.354 10.095 -11.053
57 HA ALA 6 HA ALA 6 -5.426 10.903 -8.294
58 HB1 ALA 6 1HB ALA 6 -7.669 10.154 -8.291
59 HB2 ALA 6 2HB ALA 6 -7.379 9.025 -9.613
60 HB3 ALA 6 3HB ALA 6 -7.420 10.757 -9.929
61 H LEU 7 H LEU 7 -5.118 7.876 -10.067
62 HA LEU 7 HA LEU 7 -5.191 6.097 -7.871
63 HB2 LEU 7 2HB LEU 7 -3.610 5.855 -10.452
64 HB3 LEU 7 1HB LEU 7 -3.942 4.536 -9.327
65 HG LEU 7 HG LEU 7 -5.998 6.121 -10.891
66 HD11 LEU 7 1HD1 LEU 7 -5.280 3.181 -10.982
67 HD12 LEU 7 2HD1 LEU 7 -4.673 4.376 -12.129
68 HD13 LEU 7 3HD1 LEU 7 -6.403 4.031 -12.045
69 HD21 LEU 7 3HD2 LEU 7 -7.035 5.648 -8.835
70 HD22 LEU 7 1HD2 LEU 7 -6.196 4.107 -8.661
71 HD23 LEU 7 2HD2 LEU 7 -7.496 4.273 -9.842
72 H ALA 8 H ALA 8 -2.509 7.426 -9.644
73 HA ALA 8 HA ALA 8 -0.353 6.614 -8.112
74 HB1 ALA 8 1HB ALA 8 0.739 8.762 -8.886
75 HB2 ALA 8 2HB ALA 8 -0.815 9.215 -9.581
76 HB3 ALA 8 3HB ALA 8 0.033 7.789 -10.173
77 H LEU 9 H LEU 9 -2.148 9.618 -7.838
78 HA LEU 9 HA LEU 9 -0.943 10.622 -5.525
79 HB2 LEU 9 2HB LEU 9 -2.386 12.034 -6.853
80 HB3 LEU 9 1HB LEU 9 -3.765 10.976 -6.568
81 HG LEU 9 HG LEU 9 -3.692 11.492 -4.163
82 HD11 LEU 9 1HD1 LEU 9 -1.359 13.280 -4.942
83 HD12 LEU 9 2HD1 LEU 9 -1.292 11.863 -3.891
84 HD13 LEU 9 3HD1 LEU 9 -2.159 13.309 -3.368
85 HD21 LEU 9 3HD2 LEU 9 -5.014 12.952 -5.676
86 HD22 LEU 9 1HD2 LEU 9 -3.612 14.009 -5.858
87 HD23 LEU 9 2HD2 LEU 9 -4.390 13.835 -4.286
88 H HIS 10 H HIS 10 -3.871 8.691 -5.867
89 HA HIS 10 HA HIS 10 -4.474 8.408 -3.145
90 HB2 HIS 10 2HB HIS 10 -6.022 7.826 -4.999
91 HB3 HIS 10 1HB HIS 10 -5.007 6.447 -5.387
92 HD1 HIS 10 1HD HIS 10 -7.703 5.570 -4.742
93 HD2 HIS 10 2HD HIS 10 -5.019 6.408 -1.656
94 HE1 HIS 10 1HE HIS 10 -8.549 4.339 -2.693
95 HE2 HIS 10 2HE HIS 10 -6.937 4.854 -0.796
96 H HIS 11 H HIS 11 -2.737 6.212 -5.309
97 HA HIS 11 HA HIS 11 -1.584 4.868 -2.939
98 HB2 HIS 11 2HB HIS 11 -1.686 3.781 -5.757
99 HB3 HIS 11 1HB HIS 11 -1.331 2.902 -4.270
100 HD1 HIS 11 1HD HIS 11 -3.292 2.065 -2.893
101 HD2 HIS 11 2HD HIS 11 -4.471 4.550 -6.028
102 HE1 HIS 11 1HE HIS 11 -5.821 1.962 -2.974
103 HE2 HIS 11 2HE HIS 11 -6.560 3.456 -4.899
104 H LEU 12 H LEU 12 -0.185 6.928 -3.061
105 HA LEU 12 HA LEU 12 1.707 7.416 -5.019
106 HB2 LEU 12 2HB LEU 12 3.185 8.165 -3.030
107 HB3 LEU 12 1HB LEU 12 1.659 8.999 -3.288
108 HG LEU 12 HG LEU 12 0.988 6.815 -1.671
109 HD11 LEU 12 1HD1 LEU 12 2.606 6.474 -0.096
110 HD12 LEU 12 2HD1 LEU 12 3.177 8.142 -0.169
111 HD13 LEU 12 3HD1 LEU 12 3.683 6.982 -1.398
112 HD21 LEU 12 3HD2 LEU 12 0.140 9.177 -1.617
113 HD22 LEU 12 1HD2 LEU 12 1.625 9.639 -0.784
114 HD23 LEU 12 2HD2 LEU 12 0.499 8.514 -0.024
115 H ALA 13 H ALA 13 2.005 5.327 -2.202
116 HA ALA 13 HA ALA 13 3.597 3.415 -3.661
117 HB1 ALA 13 1HB ALA 13 4.842 4.989 -1.404
118 HB2 ALA 13 2HB ALA 13 5.375 4.947 -3.082
119 HB3 ALA 13 3HB ALA 13 5.513 3.507 -2.074
120 H HIS 14 H HIS 14 3.480 1.456 -2.801
121 HA HIS 14 HA HIS 14 2.465 1.087 -0.073
122 HB2 HIS 14 2HB HIS 14 1.129 0.184 -2.612
123 HB3 HIS 14 1HB HIS 14 0.976 -0.790 -1.152
124 HD1 HIS 14 1HD HIS 14 -1.041 -0.209 0.177
125 HD2 HIS 14 2HD HIS 14 0.426 3.108 -1.894
126 HE1 HIS 14 1HE HIS 14 -2.607 1.720 0.694
127 HE2 HIS 14 2HE HIS 14 -1.700 3.757 -0.524
128 H LEU 15 H LEU 15 2.708 -1.238 -2.686
129 HA LEU 15 HA LEU 15 4.229 -3.067 -1.144
130 HB2 LEU 15 2HB LEU 15 3.838 -2.854 -4.146
131 HB3 LEU 15 1HB LEU 15 4.602 -4.220 -3.334
132 HG LEU 15 HG LEU 15 2.311 -4.055 -1.891
133 HD11 LEU 15 1HD1 LEU 15 0.436 -3.679 -3.483
134 HD12 LEU 15 2HD1 LEU 15 1.600 -3.150 -4.696
135 HD13 LEU 15 3HD1 LEU 15 1.384 -2.214 -3.220
136 HD21 LEU 15 3HD2 LEU 15 2.969 -6.131 -2.827
137 HD22 LEU 15 1HD2 LEU 15 2.915 -5.500 -4.471
138 HD23 LEU 15 2HD2 LEU 15 1.414 -5.789 -3.592
139 H ALA 16 H ALA 16 4.930 -0.419 -3.216
140 HA ALA 16 HA ALA 16 7.657 -0.937 -3.709
141 HB1 ALA 16 1HB ALA 16 6.103 1.649 -3.706
142 HB2 ALA 16 2HB ALA 16 6.448 0.628 -5.099
143 HB3 ALA 16 3HB ALA 16 7.758 1.483 -4.288
144 H LEU 17 H LEU 17 6.057 1.166 -1.365
145 HA LEU 17 HA LEU 17 7.984 2.454 -0.053
146 HB2 LEU 17 2HB LEU 17 6.038 2.747 1.093
147 HB3 LEU 17 1HB LEU 17 5.538 1.075 0.879
148 HG LEU 17 HG LEU 17 7.204 0.388 2.600
149 HD11 LEU 17 1HD1 LEU 17 7.465 3.132 3.646
150 HD12 LEU 17 2HD1 LEU 17 8.366 2.830 2.161
151 HD13 LEU 17 3HD1 LEU 17 8.657 1.836 3.585
152 HD21 LEU 17 3HD2 LEU 17 5.464 0.542 4.000
153 HD22 LEU 17 1HD2 LEU 17 4.736 1.768 2.964
154 HD23 LEU 17 2HD2 LEU 17 5.821 2.252 4.271
155 H HIS 18 H HIS 18 7.221 -0.906 0.518
156 HA HIS 18 HA HIS 18 9.419 -1.406 2.292
157 HB2 HIS 18 2HB HIS 18 8.117 -3.528 0.609
158 HB3 HIS 18 1HB HIS 18 8.794 -3.659 2.225
159 HD1 HIS 18 1HD HIS 18 7.196 -3.310 4.157
160 HD2 HIS 18 2HD HIS 18 5.689 -1.912 0.532
161 HE1 HIS 18 1HE HIS 18 4.817 -2.555 4.620
162 HE2 HIS 18 2HE HIS 18 3.871 -1.703 2.413
163 H LEU 19 H LEU 19 8.816 -2.405 -1.013
164 HA LEU 19 HA LEU 19 11.289 -3.532 -1.594
165 HB2 LEU 19 2HB LEU 19 9.577 -3.888 -3.166
166 HB3 LEU 19 1HB LEU 19 9.172 -2.174 -3.242
167 HG LEU 19 HG LEU 19 11.424 -1.770 -4.323
168 HD11 LEU 19 1HD1 LEU 19 12.381 -3.961 -5.355
169 HD12 LEU 19 2HD1 LEU 19 11.486 -4.778 -4.077
170 HD13 LEU 19 3HD1 LEU 19 12.743 -3.613 -3.665
171 HD21 LEU 19 3HD2 LEU 19 10.021 -1.806 -6.086
172 HD22 LEU 19 1HD2 LEU 19 9.098 -3.154 -5.422
173 HD23 LEU 19 2HD2 LEU 19 10.562 -3.463 -6.357
174 H ALA 20 H ALA 20 10.248 -0.260 -1.371
175 HA ALA 20 HA ALA 20 12.488 0.944 -2.682
176 HB1 ALA 20 1HB ALA 20 11.690 2.980 -1.238
177 HB2 ALA 20 2HB ALA 20 10.302 1.953 -0.885
178 HB3 ALA 20 3HB ALA 20 10.663 2.405 -2.549
179 H LEU 21 H LEU 21 11.558 0.434 0.673
180 HA LEU 21 HA LEU 21 13.881 1.445 1.881
181 HB2 LEU 21 2HB LEU 21 11.648 0.661 2.955
182 HB3 LEU 21 1HB LEU 21 12.383 -0.940 2.956
183 HG LEU 21 HG LEU 21 13.937 1.376 4.078
184 HD11 LEU 21 1HD1 LEU 21 12.857 1.279 6.174
185 HD12 LEU 21 2HD1 LEU 21 12.034 -0.229 5.780
186 HD13 LEU 21 3HD1 LEU 21 11.525 1.279 5.020
187 HD21 LEU 21 3HD2 LEU 21 14.558 -0.594 5.677
188 HD22 LEU 21 1HD2 LEU 21 15.203 -0.613 4.037
189 HD23 LEU 21 2HD2 LEU 21 13.815 -1.620 4.451
190 H ALA 22 H ALA 22 13.029 -1.734 0.673
191 HA ALA 22 HA ALA 22 15.383 -3.091 1.436
192 HB1 ALA 22 1HB ALA 22 14.268 -4.044 -1.077
193 HB2 ALA 22 2HB ALA 22 13.018 -3.775 0.136
194 HB3 ALA 22 3HB ALA 22 14.365 -4.856 0.484
195 H LEU 23 H LEU 23 14.553 -1.172 -1.358
196 HA LEU 23 HA LEU 23 17.006 -1.761 -2.777
197 HB2 LEU 23 2HB LEU 23 14.619 -0.018 -3.235
198 HB3 LEU 23 1HB LEU 23 16.097 0.309 -4.140
199 HG LEU 23 HG LEU 23 15.015 -2.498 -3.996
200 HD11 LEU 23 1HD1 LEU 23 13.497 -2.166 -5.736
201 HD12 LEU 23 2HD1 LEU 23 14.253 -0.654 -6.245
202 HD13 LEU 23 3HD1 LEU 23 13.267 -0.699 -4.783
203 HD21 LEU 23 3HD2 LEU 23 17.314 -1.826 -4.956
204 HD22 LEU 23 1HD2 LEU 23 16.409 -1.066 -6.268
205 HD23 LEU 23 2HD2 LEU 23 16.278 -2.802 -5.997
206 H LYS 24 H LYS 24 15.556 1.105 -1.359
207 HA LYS 24 HA LYS 24 17.602 2.921 -1.609
208 HB2 LYS 24 2HB LYS 24 15.226 3.173 -0.538
209 HB3 LYS 24 1HB LYS 24 16.068 2.819 0.970
210 HG2 LYS 24 2HG LYS 24 17.698 4.703 -0.335
211 HG3 LYS 24 1HG LYS 24 16.054 5.276 -0.596
212 HD2 LYS 24 2HD LYS 24 16.637 6.254 1.465
213 HD3 LYS 24 1HD LYS 24 15.715 4.833 1.938
214 HE2 LYS 24 2HE LYS 24 17.933 5.218 3.179
215 HE3 LYS 24 1HE LYS 24 17.671 3.610 2.519
216 HZ1 LYS 24 3HZ LYS 24 19.901 4.847 2.100
217 HZ2 LYS 24 1HZ LYS 24 19.032 5.627 0.873
218 HZ3 LYS 24 2HZ LYS 24 19.193 3.935 0.855
219 H LYS 25 H LYS 25 17.426 0.173 0.461
220 HA LYS 25 HA LYS 25 19.194 0.770 2.493
221 HB2 LYS 25 2HB LYS 25 18.140 -1.355 2.544
222 HB3 LYS 25 1HB LYS 25 18.725 -1.772 0.935
223 HG2 LYS 25 2HG LYS 25 20.796 -1.178 2.996
224 HG3 LYS 25 1HG LYS 25 19.904 -2.685 3.169
225 HD2 LYS 25 2HD LYS 25 20.703 -3.566 1.186
226 HD3 LYS 25 1HD LYS 25 20.949 -1.986 0.450
227 HE2 LYS 25 2HE LYS 25 22.643 -3.248 2.618
228 HE3 LYS 25 1HE LYS 25 23.111 -2.970 0.945
229 HZ1 LYS 25 3HZ LYS 25 23.524 -1.250 3.010
230 HZ2 LYS 25 1HZ LYS 25 22.166 -0.592 2.233
231 HZ3 LYS 25 2HZ LYS 25 23.592 -0.853 1.353
232 H ALA 26 H ALA 26 19.847 -0.002 -0.877
233 HA ALA 26 HA ALA 26 21.710 0.125 -2.190
234 HB1 ALA 26 1HB ALA 26 22.428 2.179 -0.096
235 HB2 ALA 26 2HB ALA 26 21.670 2.459 -1.662
236 HB3 ALA 26 3HB ALA 26 23.347 1.924 -1.577
Start of MODEL 18
1 H1 LYS 1 1HT LYS 1 10.023 9.309 -5.878
2 H2 LYS 1 2HT LYS 1 11.641 9.734 -6.178
3 H3 LYS 1 3HT LYS 1 10.997 9.879 -4.617
4 HA LYS 1 HA LYS 1 12.311 7.943 -4.592
5 HB2 LYS 1 2HB LYS 1 9.464 7.017 -5.075
6 HB3 LYS 1 1HB LYS 1 10.680 6.236 -4.072
7 HG2 LYS 1 2HG LYS 1 10.701 8.300 -2.616
8 HG3 LYS 1 1HG LYS 1 9.336 8.906 -3.553
9 HD2 LYS 1 2HD LYS 1 8.569 6.307 -2.884
10 HD3 LYS 1 1HD LYS 1 9.378 6.896 -1.432
11 HE2 LYS 1 2HE LYS 1 7.025 7.511 -1.297
12 HE3 LYS 1 1HE LYS 1 7.973 8.974 -1.563
13 HZ1 LYS 1 2HZ LYS 1 5.917 7.946 -3.141
14 HZ2 LYS 1 3HZ LYS 1 7.344 7.852 -4.048
15 HZ3 LYS 1 1HZ LYS 1 6.844 9.341 -3.414
16 H LYS 2 H LYS 2 13.083 6.066 -5.632
17 HA LYS 2 HA LYS 2 13.141 6.180 -8.477
18 HB2 LYS 2 2HB LYS 2 14.327 3.975 -8.279
19 HB3 LYS 2 1HB LYS 2 15.040 5.252 -7.293
20 HG2 LYS 2 2HG LYS 2 14.255 4.335 -5.295
21 HG3 LYS 2 1HG LYS 2 12.932 3.483 -6.084
22 HD2 LYS 2 2HD LYS 2 15.573 2.613 -7.031
23 HD3 LYS 2 1HD LYS 2 15.339 2.346 -5.304
24 HE2 LYS 2 2HE LYS 2 14.574 0.396 -6.624
25 HE3 LYS 2 1HE LYS 2 13.236 1.146 -5.755
26 HZ1 LYS 2 3HZ LYS 2 12.686 0.632 -8.068
27 HZ2 LYS 2 1HZ LYS 2 13.921 1.662 -8.598
28 HZ3 LYS 2 2HZ LYS 2 12.587 2.301 -7.760
29 H ALA 3 H ALA 3 10.537 6.205 -8.066
30 HA ALA 3 HA ALA 3 9.669 3.555 -9.007
31 HB1 ALA 3 1HB ALA 3 8.006 3.291 -7.425
32 HB2 ALA 3 2HB ALA 3 7.892 5.022 -7.097
33 HB3 ALA 3 3HB ALA 3 9.238 4.086 -6.444
34 H LEU 4 H LEU 4 10.150 6.303 -10.175
35 HA LEU 4 HA LEU 4 7.777 7.638 -10.768
36 HB2 LEU 4 2HB LEU 4 10.282 8.126 -11.449
37 HB3 LEU 4 1HB LEU 4 9.828 7.249 -12.915
38 HG LEU 4 HG LEU 4 8.359 9.651 -11.787
39 HD11 LEU 4 1HD1 LEU 4 10.558 10.236 -12.713
40 HD12 LEU 4 2HD1 LEU 4 9.262 10.823 -13.755
41 HD13 LEU 4 3HD1 LEU 4 10.166 9.375 -14.199
42 HD21 LEU 4 3HD2 LEU 4 7.883 7.802 -14.111
43 HD22 LEU 4 1HD2 LEU 4 7.426 9.501 -14.254
44 HD23 LEU 4 2HD2 LEU 4 6.718 8.502 -12.989
45 H LEU 5 H LEU 5 9.419 5.209 -12.710
46 HA LEU 5 HA LEU 5 7.573 4.717 -14.682
47 HB2 LEU 5 2HB LEU 5 8.583 2.184 -13.656
48 HB3 LEU 5 1HB LEU 5 8.923 2.972 -15.193
49 HG LEU 5 HG LEU 5 10.499 4.523 -13.849
50 HD11 LEU 5 1HD1 LEU 5 11.205 3.852 -11.700
51 HD12 LEU 5 2HD1 LEU 5 10.538 2.230 -11.882
52 HD13 LEU 5 3HD1 LEU 5 9.463 3.603 -11.637
53 HD21 LEU 5 3HD2 LEU 5 11.157 1.567 -14.038
54 HD22 LEU 5 1HD2 LEU 5 12.323 2.889 -13.974
55 HD23 LEU 5 2HD2 LEU 5 11.257 2.719 -15.370
56 H ALA 6 H ALA 6 7.650 3.447 -11.421
57 HA ALA 6 HA ALA 6 5.294 1.855 -11.671
58 HB1 ALA 6 1HB ALA 6 5.407 2.092 -9.047
59 HB2 ALA 6 2HB ALA 6 7.007 2.750 -9.384
60 HB3 ALA 6 3HB ALA 6 6.603 1.114 -9.899
61 H LEU 7 H LEU 7 6.003 5.025 -10.291
62 HA LEU 7 HA LEU 7 3.443 5.668 -9.376
63 HB2 LEU 7 2HB LEU 7 4.539 7.531 -8.759
64 HB3 LEU 7 1HB LEU 7 5.926 6.996 -9.691
65 HG LEU 7 HG LEU 7 4.849 8.078 -11.726
66 HD11 LEU 7 1HD1 LEU 7 2.728 8.434 -9.797
67 HD12 LEU 7 2HD1 LEU 7 2.715 8.760 -11.530
68 HD13 LEU 7 3HD1 LEU 7 3.261 10.002 -10.401
69 HD21 LEU 7 3HD2 LEU 7 6.557 9.108 -9.981
70 HD22 LEU 7 1HD2 LEU 7 5.198 10.166 -9.602
71 HD23 LEU 7 2HD2 LEU 7 5.851 10.120 -11.243
72 H ALA 8 H ALA 8 4.926 6.130 -12.508
73 HA ALA 8 HA ALA 8 2.841 7.437 -13.841
74 HB1 ALA 8 1HB ALA 8 3.809 6.387 -15.913
75 HB2 ALA 8 2HB ALA 8 4.874 5.447 -14.868
76 HB3 ALA 8 3HB ALA 8 5.002 7.205 -14.902
77 H LEU 9 H LEU 9 3.633 4.004 -13.870
78 HA LEU 9 HA LEU 9 1.302 3.055 -15.105
79 HB2 LEU 9 2HB LEU 9 3.539 1.840 -14.377
80 HB3 LEU 9 1HB LEU 9 2.613 1.464 -12.928
81 HG LEU 9 HG LEU 9 2.016 0.674 -15.787
82 HD11 LEU 9 1HD1 LEU 9 2.283 -0.851 -13.180
83 HD12 LEU 9 2HD1 LEU 9 3.446 -0.834 -14.501
84 HD13 LEU 9 3HD1 LEU 9 1.866 -1.575 -14.733
85 HD21 LEU 9 3HD2 LEU 9 0.162 0.710 -13.387
86 HD22 LEU 9 1HD2 LEU 9 -0.117 -0.319 -14.791
87 HD23 LEU 9 2HD2 LEU 9 -0.115 1.434 -14.974
88 H HIS 10 H HIS 10 2.129 3.100 -11.687
89 HA HIS 10 HA HIS 10 -0.267 4.171 -10.727
90 HB2 HIS 10 2HB HIS 10 -1.184 1.958 -11.559
91 HB3 HIS 10 1HB HIS 10 -0.157 1.166 -10.365
92 HD1 HIS 10 1HD HIS 10 -2.377 0.357 -9.148
93 HD2 HIS 10 2HD HIS 10 -1.789 4.490 -9.182
94 HE1 HIS 10 1HE HIS 10 -3.964 1.333 -7.426
95 HE2 HIS 10 2HE HIS 10 -3.608 3.848 -7.427
96 H HIS 11 H HIS 11 0.660 5.168 -9.074
97 HA HIS 11 HA HIS 11 2.992 4.285 -7.751
98 HB2 HIS 11 2HB HIS 11 1.997 6.031 -5.959
99 HB3 HIS 11 1HB HIS 11 2.780 6.547 -7.453
100 HD1 HIS 11 1HD HIS 11 -0.573 6.285 -5.800
101 HD2 HIS 11 2HD HIS 11 1.005 7.470 -9.485
102 HE1 HIS 11 1HE HIS 11 -2.434 7.515 -7.014
103 HE2 HIS 11 2HE HIS 11 -1.491 8.241 -9.269
104 H LEU 12 H LEU 12 2.119 2.020 -7.422
105 HA LEU 12 HA LEU 12 0.147 1.277 -5.635
106 HB2 LEU 12 2HB LEU 12 2.745 0.124 -6.494
107 HB3 LEU 12 1HB LEU 12 2.064 -0.523 -5.005
108 HG LEU 12 HG LEU 12 1.302 -1.838 -6.914
109 HD11 LEU 12 1HD1 LEU 12 -1.181 -0.335 -6.359
110 HD12 LEU 12 2HD1 LEU 12 -0.289 -0.855 -4.928
111 HD13 LEU 12 3HD1 LEU 12 -0.820 -2.044 -6.117
112 HD21 LEU 12 3HD2 LEU 12 -0.002 -0.844 -8.708
113 HD22 LEU 12 1HD2 LEU 12 1.528 0.016 -8.585
114 HD23 LEU 12 2HD2 LEU 12 0.056 0.733 -7.929
115 H ALA 13 H ALA 13 3.380 2.407 -5.048
116 HA ALA 13 HA ALA 13 4.459 3.205 -3.191
117 HB1 ALA 13 1HB ALA 13 1.587 3.782 -2.595
118 HB2 ALA 13 2HB ALA 13 2.923 4.904 -2.866
119 HB3 ALA 13 3HB ALA 13 2.795 4.039 -1.334
120 H HIS 14 H HIS 14 1.639 1.741 -1.675
121 HA HIS 14 HA HIS 14 2.812 0.653 0.548
122 HB2 HIS 14 2HB HIS 14 0.556 -0.439 -1.136
123 HB3 HIS 14 1HB HIS 14 0.985 -1.073 0.449
124 HD1 HIS 14 1HD HIS 14 0.529 0.434 2.516
125 HD2 HIS 14 2HD HIS 14 -0.674 2.137 -1.100
126 HE1 HIS 14 1HE HIS 14 -0.918 2.427 3.107
127 HE2 HIS 14 2HE HIS 14 -1.652 3.492 0.917
128 H LEU 15 H LEU 15 2.529 -0.819 -2.619
129 HA LEU 15 HA LEU 15 3.949 -3.218 -1.831
130 HB2 LEU 15 2HB LEU 15 2.807 -2.160 -4.396
131 HB3 LEU 15 1HB LEU 15 3.871 -3.562 -4.397
132 HG LEU 15 HG LEU 15 1.310 -3.302 -2.786
133 HD11 LEU 15 1HD1 LEU 15 0.947 -3.550 -5.232
134 HD12 LEU 15 2HD1 LEU 15 0.419 -4.977 -4.339
135 HD13 LEU 15 3HD1 LEU 15 1.949 -5.004 -5.213
136 HD21 LEU 15 3HD2 LEU 15 2.426 -4.856 -1.520
137 HD22 LEU 15 1HD2 LEU 15 3.552 -5.257 -2.819
138 HD23 LEU 15 2HD2 LEU 15 1.932 -5.950 -2.809
139 H ALA 16 H ALA 16 4.903 -0.142 -2.552
140 HA ALA 16 HA ALA 16 7.469 -1.046 -3.691
141 HB1 ALA 16 1HB ALA 16 7.199 0.564 -5.217
142 HB2 ALA 16 2HB ALA 16 7.264 1.762 -3.927
143 HB3 ALA 16 3HB ALA 16 5.714 1.095 -4.429
144 H LEU 17 H LEU 17 6.058 1.229 -1.410
145 HA LEU 17 HA LEU 17 8.118 2.527 -0.300
146 HB2 LEU 17 2HB LEU 17 6.488 3.082 1.122
147 HB3 LEU 17 1HB LEU 17 5.525 1.716 0.579
148 HG LEU 17 HG LEU 17 7.729 1.213 2.559
149 HD11 LEU 17 1HD1 LEU 17 5.024 2.408 3.204
150 HD12 LEU 17 2HD1 LEU 17 6.597 3.145 3.507
151 HD13 LEU 17 3HD1 LEU 17 6.116 1.699 4.394
152 HD21 LEU 17 3HD2 LEU 17 5.091 0.011 2.965
153 HD22 LEU 17 1HD2 LEU 17 6.656 -0.777 2.765
154 HD23 LEU 17 2HD2 LEU 17 5.716 -0.311 1.348
155 H HIS 18 H HIS 18 7.290 -0.794 0.368
156 HA HIS 18 HA HIS 18 9.447 -1.227 2.199
157 HB2 HIS 18 2HB HIS 18 8.786 -3.521 2.198
158 HB3 HIS 18 1HB HIS 18 7.328 -2.555 2.092
159 HD1 HIS 18 1HD HIS 18 8.872 -5.374 0.543
160 HD2 HIS 18 2HD HIS 18 6.501 -2.213 -0.795
161 HE1 HIS 18 1HE HIS 18 7.945 -6.080 -1.711
162 HE2 HIS 18 2HE HIS 18 6.502 -4.154 -2.552
163 H LEU 19 H LEU 19 8.870 -2.268 -1.113
164 HA LEU 19 HA LEU 19 11.373 -3.437 -1.599
165 HB2 LEU 19 2HB LEU 19 9.098 -3.074 -3.082
166 HB3 LEU 19 1HB LEU 19 10.210 -1.957 -3.873
167 HG LEU 19 HG LEU 19 10.351 -4.178 -4.913
168 HD11 LEU 19 1HD1 LEU 19 12.730 -4.437 -4.847
169 HD12 LEU 19 2HD1 LEU 19 12.831 -3.734 -3.236
170 HD13 LEU 19 3HD1 LEU 19 12.412 -2.718 -4.618
171 HD21 LEU 19 3HD2 LEU 19 10.718 -6.149 -3.736
172 HD22 LEU 19 1HD2 LEU 19 9.768 -5.253 -2.553
173 HD23 LEU 19 2HD2 LEU 19 11.523 -5.326 -2.396
174 H ALA 20 H ALA 20 10.281 -0.174 -1.505
175 HA ALA 20 HA ALA 20 12.482 1.080 -2.802
176 HB1 ALA 20 1HB ALA 20 10.322 1.987 -0.948
177 HB2 ALA 20 2HB ALA 20 10.712 2.556 -2.571
178 HB3 ALA 20 3HB ALA 20 11.711 3.043 -1.199
179 H LEU 21 H LEU 21 11.695 0.900 0.646
180 HA LEU 21 HA LEU 21 14.185 1.751 1.598
181 HB2 LEU 21 2HB LEU 21 11.802 0.873 2.756
182 HB3 LEU 21 1HB LEU 21 13.004 -0.293 3.306
183 HG LEU 21 HG LEU 21 12.968 1.513 4.901
184 HD11 LEU 21 1HD1 LEU 21 15.221 0.613 3.868
185 HD12 LEU 21 2HD1 LEU 21 15.241 1.989 4.966
186 HD13 LEU 21 3HD1 LEU 21 15.345 2.251 3.228
187 HD21 LEU 21 3HD2 LEU 21 11.977 3.341 3.838
188 HD22 LEU 21 1HD2 LEU 21 12.999 3.199 2.412
189 HD23 LEU 21 2HD2 LEU 21 13.661 3.855 3.910
190 H ALA 22 H ALA 22 13.018 -1.376 0.631
191 HA ALA 22 HA ALA 22 15.114 -3.003 1.522
192 HB1 ALA 22 1HB ALA 22 13.592 -3.367 -1.059
193 HB2 ALA 22 2HB ALA 22 12.944 -3.795 0.524
194 HB3 ALA 22 3HB ALA 22 14.376 -4.617 -0.096
195 H LEU 23 H LEU 23 14.686 -1.286 -1.521
196 HA LEU 23 HA LEU 23 17.277 -2.038 -2.540
197 HB2 LEU 23 2HB LEU 23 14.939 -0.513 -3.492
198 HB3 LEU 23 1HB LEU 23 16.489 0.099 -4.069
199 HG LEU 23 HG LEU 23 15.383 -1.696 -5.519
200 HD11 LEU 23 1HD1 LEU 23 18.185 -1.859 -4.413
201 HD12 LEU 23 2HD1 LEU 23 17.646 -1.263 -5.981
202 HD13 LEU 23 3HD1 LEU 23 17.636 -2.992 -5.648
203 HD21 LEU 23 3HD2 LEU 23 15.219 -3.884 -4.768
204 HD22 LEU 23 1HD2 LEU 23 14.927 -3.037 -3.250
205 HD23 LEU 23 2HD2 LEU 23 16.525 -3.700 -3.600
206 H LYS 24 H LYS 24 15.824 0.753 -1.034
207 HA LYS 24 HA LYS 24 17.984 2.547 -1.334
208 HB2 LYS 24 2HB LYS 24 16.019 3.625 -0.744
209 HB3 LYS 24 1HB LYS 24 15.587 2.403 0.442
210 HG2 LYS 24 2HG LYS 24 16.220 4.426 1.625
211 HG3 LYS 24 1HG LYS 24 17.468 3.213 1.891
212 HD2 LYS 24 2HD LYS 24 18.322 4.482 -0.429
213 HD3 LYS 24 1HD LYS 24 17.650 5.803 0.525
214 HE2 LYS 24 2HE LYS 24 19.896 3.921 1.249
215 HE3 LYS 24 1HE LYS 24 19.902 5.680 1.230
216 HZ1 LYS 24 3HZ LYS 24 18.608 3.867 3.177
217 HZ2 LYS 24 1HZ LYS 24 18.159 5.504 3.043
218 HZ3 LYS 24 2HZ LYS 24 19.756 5.090 3.466
219 H LYS 25 H LYS 25 17.029 0.642 1.496
220 HA LYS 25 HA LYS 25 18.253 -0.234 3.241
221 HB2 LYS 25 2HB LYS 25 20.706 0.278 1.537
222 HB3 LYS 25 1HB LYS 25 20.556 -0.850 2.885
223 HG2 LYS 25 2HG LYS 25 18.675 -1.960 1.524
224 HG3 LYS 25 1HG LYS 25 19.280 -1.024 0.155
225 HD2 LYS 25 2HD LYS 25 21.111 -2.752 1.832
226 HD3 LYS 25 1HD LYS 25 20.233 -3.404 0.448
227 HE2 LYS 25 2HE LYS 25 21.825 -2.582 -0.926
228 HE3 LYS 25 1HE LYS 25 21.417 -0.948 -0.399
229 HZ1 LYS 25 3HZ LYS 25 23.782 -1.636 -0.046
230 HZ2 LYS 25 1HZ LYS 25 23.231 -2.736 1.120
231 HZ3 LYS 25 2HZ LYS 25 22.985 -1.071 1.343
232 H ALA 26 H ALA 26 21.133 0.740 3.656
233 HA ALA 26 HA ALA 26 20.519 2.794 5.514
234 HB1 ALA 26 1HB ALA 26 22.476 1.205 5.659
235 HB2 ALA 26 2HB ALA 26 22.873 2.901 5.951
236 HB3 ALA 26 3HB ALA 26 23.252 2.157 4.397
Start of MODEL 19
1 H1 LYS 1 1HT LYS 1 8.597 10.314 0.961
2 H2 LYS 1 2HT LYS 1 9.558 8.971 1.352
3 H3 LYS 1 3HT LYS 1 8.753 9.034 -0.139
4 HA LYS 1 HA LYS 1 10.447 11.298 0.272
5 HB2 LYS 1 2HB LYS 1 11.636 8.505 0.230
6 HB3 LYS 1 1HB LYS 1 12.554 9.977 -0.089
7 HG2 LYS 1 2HG LYS 1 10.931 9.922 2.416
8 HG3 LYS 1 1HG LYS 1 12.367 8.903 2.374
9 HD2 LYS 1 2HD LYS 1 13.751 10.830 1.758
10 HD3 LYS 1 1HD LYS 1 12.329 11.871 1.736
11 HE2 LYS 1 2HE LYS 1 13.370 10.367 4.160
12 HE3 LYS 1 1HE LYS 1 13.559 12.096 3.866
13 HZ1 LYS 1 2HZ LYS 1 10.995 10.631 4.209
14 HZ2 LYS 1 3HZ LYS 1 11.123 12.276 3.799
15 HZ3 LYS 1 1HZ LYS 1 11.691 11.729 5.300
16 H LYS 2 H LYS 2 8.782 11.483 -1.511
17 HA LYS 2 HA LYS 2 8.028 11.032 -3.701
18 HB2 LYS 2 2HB LYS 2 9.757 12.081 -5.252
19 HB3 LYS 2 1HB LYS 2 9.165 13.077 -3.925
20 HG2 LYS 2 2HG LYS 2 11.174 12.986 -2.775
21 HG3 LYS 2 1HG LYS 2 11.608 11.413 -3.440
22 HD2 LYS 2 2HD LYS 2 11.433 13.224 -5.634
23 HD3 LYS 2 1HD LYS 2 12.373 14.023 -4.374
24 HE2 LYS 2 2HE LYS 2 12.934 11.166 -5.182
25 HE3 LYS 2 1HE LYS 2 13.664 12.525 -6.039
26 HZ1 LYS 2 3HZ LYS 2 15.057 12.902 -4.386
27 HZ2 LYS 2 1HZ LYS 2 14.615 11.388 -3.758
28 HZ3 LYS 2 2HZ LYS 2 13.847 12.804 -3.202
29 H ALA 3 H ALA 3 8.338 8.571 -3.185
30 HA ALA 3 HA ALA 3 10.508 7.280 -4.583
31 HB1 ALA 3 1HB ALA 3 9.404 6.267 -2.596
32 HB2 ALA 3 2HB ALA 3 9.369 5.207 -4.006
33 HB3 ALA 3 3HB ALA 3 7.922 6.102 -3.537
34 H LEU 4 H LEU 4 9.932 8.654 -6.563
35 HA LEU 4 HA LEU 4 7.695 8.341 -8.138
36 HB2 LEU 4 2HB LEU 4 10.546 8.367 -9.159
37 HB3 LEU 4 1HB LEU 4 9.108 8.753 -10.094
38 HG LEU 4 HG LEU 4 9.666 10.895 -9.517
39 HD11 LEU 4 1HD1 LEU 4 8.501 10.135 -6.829
40 HD12 LEU 4 2HD1 LEU 4 7.527 10.337 -8.284
41 HD13 LEU 4 3HD1 LEU 4 8.430 11.700 -7.631
42 HD21 LEU 4 3HD2 LEU 4 11.216 9.535 -7.367
43 HD22 LEU 4 1HD2 LEU 4 10.768 11.219 -7.091
44 HD23 LEU 4 2HD2 LEU 4 11.720 10.778 -8.508
45 H LEU 5 H LEU 5 10.538 6.290 -8.029
46 HA LEU 5 HA LEU 5 9.910 4.403 -9.940
47 HB2 LEU 5 2HB LEU 5 12.049 4.353 -8.790
48 HB3 LEU 5 1HB LEU 5 11.256 3.992 -7.259
49 HG LEU 5 HG LEU 5 10.475 1.842 -8.127
50 HD11 LEU 5 1HD1 LEU 5 10.089 2.280 -10.434
51 HD12 LEU 5 2HD1 LEU 5 11.417 1.120 -10.399
52 HD13 LEU 5 3HD1 LEU 5 11.750 2.828 -10.686
53 HD21 LEU 5 3HD2 LEU 5 12.922 2.267 -7.261
54 HD22 LEU 5 1HD2 LEU 5 13.370 1.960 -8.941
55 HD23 LEU 5 2HD2 LEU 5 12.526 0.721 -8.014
56 H ALA 6 H ALA 6 9.045 4.383 -6.528
57 HA ALA 6 HA ALA 6 7.504 2.048 -6.490
58 HB1 ALA 6 1HB ALA 6 6.925 4.550 -4.887
59 HB2 ALA 6 2HB ALA 6 8.206 3.408 -4.479
60 HB3 ALA 6 3HB ALA 6 6.523 2.889 -4.456
61 H LEU 7 H LEU 7 6.620 5.382 -7.146
62 HA LEU 7 HA LEU 7 3.855 4.989 -7.597
63 HB2 LEU 7 2HB LEU 7 5.833 7.093 -8.035
64 HB3 LEU 7 1HB LEU 7 4.619 7.036 -9.311
65 HG LEU 7 HG LEU 7 4.006 7.147 -6.342
66 HD11 LEU 7 1HD1 LEU 7 3.486 9.313 -8.362
67 HD12 LEU 7 2HD1 LEU 7 5.059 9.196 -7.570
68 HD13 LEU 7 3HD1 LEU 7 3.602 9.436 -6.608
69 HD21 LEU 7 3HD2 LEU 7 1.900 6.605 -6.949
70 HD22 LEU 7 1HD2 LEU 7 2.436 6.391 -8.616
71 HD23 LEU 7 2HD2 LEU 7 1.867 7.969 -8.068
72 H ALA 8 H ALA 8 6.455 5.476 -9.894
73 HA ALA 8 HA ALA 8 5.230 4.914 -12.279
74 HB1 ALA 8 1HB ALA 8 7.934 4.931 -11.288
75 HB2 ALA 8 2HB ALA 8 7.363 5.225 -12.927
76 HB3 ALA 8 3HB ALA 8 7.716 3.583 -12.399
77 H LEU 9 H LEU 9 6.857 2.635 -10.169
78 HA LEU 9 HA LEU 9 6.302 0.250 -11.494
79 HB2 LEU 9 2HB LEU 9 6.944 1.018 -8.710
80 HB3 LEU 9 1HB LEU 9 6.136 -0.539 -8.894
81 HG LEU 9 HG LEU 9 8.535 0.239 -10.561
82 HD11 LEU 9 1HD1 LEU 9 8.650 -1.520 -8.117
83 HD12 LEU 9 2HD1 LEU 9 8.911 0.220 -8.000
84 HD13 LEU 9 3HD1 LEU 9 9.977 -0.771 -8.995
85 HD21 LEU 9 3HD2 LEU 9 7.509 -1.600 -11.566
86 HD22 LEU 9 1HD2 LEU 9 6.928 -2.245 -10.028
87 HD23 LEU 9 2HD2 LEU 9 8.631 -2.395 -10.463
88 H HIS 10 H HIS 10 4.583 1.347 -8.627
89 HA HIS 10 HA HIS 10 2.004 0.780 -9.862
90 HB2 HIS 10 2HB HIS 10 2.921 -1.354 -8.732
91 HB3 HIS 10 1HB HIS 10 2.626 -0.508 -7.214
92 HD1 HIS 10 1HD HIS 10 0.850 -2.731 -7.192
93 HD2 HIS 10 2HD HIS 10 -0.128 0.580 -9.546
94 HE1 HIS 10 1HE HIS 10 -1.647 -2.867 -7.638
95 HE2 HIS 10 2HE HIS 10 -2.255 -0.862 -9.087
96 H HIS 11 H HIS 11 0.851 2.521 -9.443
97 HA HIS 11 HA HIS 11 1.391 4.616 -7.801
98 HB2 HIS 11 2HB HIS 11 -1.464 3.731 -8.068
99 HB3 HIS 11 1HB HIS 11 -0.793 5.358 -8.137
100 HD1 HIS 11 1HD HIS 11 -2.499 3.589 -10.378
101 HD2 HIS 11 2HD HIS 11 1.506 4.778 -10.488
102 HE1 HIS 11 1HE HIS 11 -1.788 3.528 -12.812
103 HE2 HIS 11 2HE HIS 11 0.642 4.264 -12.900
104 H LEU 12 H LEU 12 0.286 1.502 -6.828
105 HA LEU 12 HA LEU 12 -0.918 2.029 -4.371
106 HB2 LEU 12 2HB LEU 12 -0.340 -0.244 -5.674
107 HB3 LEU 12 1HB LEU 12 0.993 -0.254 -4.520
108 HG LEU 12 HG LEU 12 -1.794 0.305 -3.541
109 HD11 LEU 12 1HD1 LEU 12 -0.673 -2.317 -4.473
110 HD12 LEU 12 2HD1 LEU 12 -2.319 -1.700 -4.602
111 HD13 LEU 12 3HD1 LEU 12 -1.719 -2.292 -3.055
112 HD21 LEU 12 3HD2 LEU 12 -0.771 -0.993 -1.574
113 HD22 LEU 12 1HD2 LEU 12 -0.086 0.599 -1.909
114 HD23 LEU 12 2HD2 LEU 12 0.767 -0.855 -2.429
115 H ALA 13 H ALA 13 2.424 1.860 -5.327
116 HA ALA 13 HA ALA 13 4.381 2.533 -4.378
117 HB1 ALA 13 1HB ALA 13 2.966 4.342 -2.488
118 HB2 ALA 13 2HB ALA 13 2.760 4.623 -4.213
119 HB3 ALA 13 3HB ALA 13 4.372 4.655 -3.504
120 H HIS 14 H HIS 14 2.015 2.402 -1.746
121 HA HIS 14 HA HIS 14 3.707 1.925 0.354
122 HB2 HIS 14 2HB HIS 14 0.887 1.519 -0.162
123 HB3 HIS 14 1HB HIS 14 1.533 0.290 0.926
124 HD1 HIS 14 1HD HIS 14 1.620 0.992 3.324
125 HD2 HIS 14 2HD HIS 14 1.887 4.272 0.753
126 HE1 HIS 14 1HE HIS 14 1.785 3.052 4.794
127 HE2 HIS 14 2HE HIS 14 1.953 5.061 3.242
128 H LEU 15 H LEU 15 2.590 -0.403 -2.014
129 HA LEU 15 HA LEU 15 3.810 -2.634 -0.617
130 HB2 LEU 15 2HB LEU 15 2.431 -2.307 -3.270
131 HB3 LEU 15 1HB LEU 15 3.359 -3.767 -2.926
132 HG LEU 15 HG LEU 15 1.123 -2.703 -1.165
133 HD11 LEU 15 1HD1 LEU 15 -0.337 -4.181 -2.192
134 HD12 LEU 15 2HD1 LEU 15 0.955 -5.237 -2.749
135 HD13 LEU 15 3HD1 LEU 15 0.652 -3.710 -3.572
136 HD21 LEU 15 3HD2 LEU 15 2.495 -4.005 0.234
137 HD22 LEU 15 1HD2 LEU 15 2.966 -5.082 -1.077
138 HD23 LEU 15 2HD2 LEU 15 1.353 -5.202 -0.377
139 H ALA 16 H ALA 16 4.749 -0.238 -2.875
140 HA ALA 16 HA ALA 16 7.120 -1.717 -3.714
141 HB1 ALA 16 1HB ALA 16 6.339 -0.393 -5.483
142 HB2 ALA 16 2HB ALA 16 7.613 0.615 -4.792
143 HB3 ALA 16 3HB ALA 16 5.921 0.949 -4.419
144 H LEU 17 H LEU 17 6.096 0.803 -1.559
145 HA LEU 17 HA LEU 17 8.324 2.136 -0.787
146 HB2 LEU 17 2HB LEU 17 6.964 2.839 0.851
147 HB3 LEU 17 1HB LEU 17 5.793 1.645 0.315
148 HG LEU 17 HG LEU 17 7.004 -0.030 1.829
149 HD11 LEU 17 1HD1 LEU 17 7.947 1.964 3.673
150 HD12 LEU 17 2HD1 LEU 17 8.759 2.196 2.124
151 HD13 LEU 17 3HD1 LEU 17 8.844 0.636 2.941
152 HD21 LEU 17 3HD2 LEU 17 4.932 0.655 2.631
153 HD22 LEU 17 1HD2 LEU 17 5.411 2.346 2.733
154 HD23 LEU 17 2HD2 LEU 17 5.994 1.191 3.929
155 H HIS 18 H HIS 18 7.412 -1.093 0.190
156 HA HIS 18 HA HIS 18 9.645 -1.591 1.877
157 HB2 HIS 18 2HB HIS 18 8.286 -3.729 0.251
158 HB3 HIS 18 1HB HIS 18 9.020 -3.853 1.843
159 HD1 HIS 18 1HD HIS 18 7.583 -3.174 3.875
160 HD2 HIS 18 2HD HIS 18 5.760 -2.421 0.201
161 HE1 HIS 18 1HE HIS 18 5.177 -2.537 4.387
162 HE2 HIS 18 2HE HIS 18 4.055 -2.043 2.150
163 H LEU 19 H LEU 19 8.928 -2.657 -1.394
164 HA LEU 19 HA LEU 19 11.398 -3.774 -2.035
165 HB2 LEU 19 2HB LEU 19 9.773 -4.158 -3.648
166 HB3 LEU 19 1HB LEU 19 9.181 -2.499 -3.595
167 HG LEU 19 HG LEU 19 11.977 -2.979 -4.584
168 HD11 LEU 19 1HD1 LEU 19 11.282 -3.629 -6.754
169 HD12 LEU 19 2HD1 LEU 19 9.595 -3.231 -6.424
170 HD13 LEU 19 3HD1 LEU 19 10.330 -4.647 -5.674
171 HD21 LEU 19 3HD2 LEU 19 10.700 -1.197 -6.250
172 HD22 LEU 19 1HD2 LEU 19 11.627 -0.737 -4.824
173 HD23 LEU 19 2HD2 LEU 19 9.876 -0.907 -4.720
174 H ALA 20 H ALA 20 10.311 -0.493 -1.890
175 HA ALA 20 HA ALA 20 12.654 0.672 -3.102
176 HB1 ALA 20 1HB ALA 20 10.186 1.649 -2.699
177 HB2 ALA 20 2HB ALA 20 11.597 2.699 -2.841
178 HB3 ALA 20 3HB ALA 20 10.966 2.277 -1.247
179 H LEU 21 H LEU 21 11.390 0.375 0.171
180 HA LEU 21 HA LEU 21 13.528 1.526 1.548
181 HB2 LEU 21 2HB LEU 21 11.253 0.734 2.464
182 HB3 LEU 21 1HB LEU 21 12.002 -0.857 2.589
183 HG LEU 21 HG LEU 21 13.585 1.402 3.704
184 HD11 LEU 21 1HD1 LEU 21 11.092 1.775 4.326
185 HD12 LEU 21 2HD1 LEU 21 12.271 1.731 5.638
186 HD13 LEU 21 3HD1 LEU 21 11.267 0.317 5.307
187 HD21 LEU 21 3HD2 LEU 21 12.814 -1.294 4.867
188 HD22 LEU 21 1HD2 LEU 21 14.152 -0.259 5.366
189 HD23 LEU 21 2HD2 LEU 21 14.196 -1.060 3.795
190 H ALA 22 H ALA 22 12.995 -1.755 0.412
191 HA ALA 22 HA ALA 22 15.228 -3.002 1.529
192 HB1 ALA 22 1HB ALA 22 13.705 -4.436 0.438
193 HB2 ALA 22 2HB ALA 22 15.117 -4.447 -0.620
194 HB3 ALA 22 3HB ALA 22 13.715 -3.463 -1.032
195 H LEU 23 H LEU 23 14.896 -1.253 -1.513
196 HA LEU 23 HA LEU 23 17.666 -1.500 -2.224
197 HB2 LEU 23 2HB LEU 23 15.502 0.354 -3.240
198 HB3 LEU 23 1HB LEU 23 17.108 0.208 -3.953
199 HG LEU 23 HG LEU 23 15.313 -2.196 -3.572
200 HD11 LEU 23 1HD1 LEU 23 15.483 -0.278 -5.911
201 HD12 LEU 23 2HD1 LEU 23 14.054 -0.664 -4.951
202 HD13 LEU 23 3HD1 LEU 23 14.763 -1.883 -6.012
203 HD21 LEU 23 3HD2 LEU 23 17.286 -3.152 -4.201
204 HD22 LEU 23 1HD2 LEU 23 17.960 -1.619 -4.748
205 HD23 LEU 23 2HD2 LEU 23 16.902 -2.545 -5.807
206 H LYS 24 H LYS 24 15.647 1.145 -1.074
207 HA LYS 24 HA LYS 24 17.649 3.091 -0.794
208 HB2 LYS 24 2HB LYS 24 15.397 3.816 -0.708
209 HB3 LYS 24 1HB LYS 24 14.997 2.686 0.578
210 HG2 LYS 24 2HG LYS 24 17.135 4.703 1.125
211 HG3 LYS 24 1HG LYS 24 15.469 5.272 1.074
212 HD2 LYS 24 2HD LYS 24 14.838 4.082 2.937
213 HD3 LYS 24 1HD LYS 24 15.984 2.781 2.632
214 HE2 LYS 24 2HE LYS 24 16.424 5.418 3.993
215 HE3 LYS 24 1HE LYS 24 16.938 3.809 4.492
216 HZ1 LYS 24 3HZ LYS 24 18.173 5.645 2.576
217 HZ2 LYS 24 1HZ LYS 24 18.338 3.976 2.298
218 HZ3 LYS 24 2HZ LYS 24 18.894 4.655 3.750
219 H LYS 25 H LYS 25 16.649 0.513 1.334
220 HA LYS 25 HA LYS 25 18.814 1.255 3.216
221 HB2 LYS 25 2HB LYS 25 16.451 1.448 4.110
222 HB3 LYS 25 1HB LYS 25 16.296 -0.292 3.883
223 HG2 LYS 25 2HG LYS 25 18.533 -0.387 5.269
224 HG3 LYS 25 1HG LYS 25 18.040 1.219 5.808
225 HD2 LYS 25 2HD LYS 25 16.045 0.403 6.794
226 HD3 LYS 25 1HD LYS 25 16.124 -1.117 5.910
227 HE2 LYS 25 2HE LYS 25 18.531 -0.786 7.472
228 HE3 LYS 25 1HE LYS 25 17.119 -0.585 8.510
229 HZ1 LYS 25 3HZ LYS 25 16.239 -2.668 7.557
230 HZ2 LYS 25 1HZ LYS 25 17.681 -2.886 8.419
231 HZ3 LYS 25 2HZ LYS 25 17.703 -2.886 6.713
232 H ALA 26 H ALA 26 17.494 -1.607 4.147
233 HA ALA 26 HA ALA 26 18.293 -3.608 2.438
234 HB1 ALA 26 1HB ALA 26 20.583 -2.380 3.912
235 HB2 ALA 26 2HB ALA 26 20.543 -3.122 2.312
236 HB3 ALA 26 3HB ALA 26 20.550 -4.136 3.755
Start of MODEL 20
1 H1 LYS 1 1HT LYS 1 9.982 22.575 -11.973
2 H2 LYS 1 2HT LYS 1 9.866 20.912 -11.665
3 H3 LYS 1 3HT LYS 1 9.723 22.022 -10.395
4 HA LYS 1 HA LYS 1 7.713 22.928 -11.508
5 HB2 LYS 1 2HB LYS 1 7.923 20.327 -13.055
6 HB3 LYS 1 1HB LYS 1 6.658 21.545 -13.203
7 HG2 LYS 1 2HG LYS 1 9.568 22.172 -13.735
8 HG3 LYS 1 1HG LYS 1 8.482 21.597 -14.994
9 HD2 LYS 1 2HD LYS 1 6.920 23.535 -14.213
10 HD3 LYS 1 1HD LYS 1 8.375 24.184 -13.451
11 HE2 LYS 1 2HE LYS 1 8.038 25.079 -15.755
12 HE3 LYS 1 1HE LYS 1 9.550 24.183 -15.599
13 HZ1 LYS 1 2HZ LYS 1 7.249 22.595 -16.350
14 HZ2 LYS 1 3HZ LYS 1 8.834 22.573 -16.964
15 HZ3 LYS 1 1HZ LYS 1 7.729 23.740 -17.507
16 H LYS 2 H LYS 2 7.437 22.563 -9.251
17 HA LYS 2 HA LYS 2 7.100 19.993 -8.107
18 HB2 LYS 2 2HB LYS 2 5.918 21.347 -6.263
19 HB3 LYS 2 1HB LYS 2 7.613 21.710 -6.585
20 HG2 LYS 2 2HG LYS 2 7.140 23.804 -7.303
21 HG3 LYS 2 1HG LYS 2 5.773 23.254 -8.271
22 HD2 LYS 2 2HD LYS 2 4.302 23.282 -6.372
23 HD3 LYS 2 1HD LYS 2 5.649 23.490 -5.255
24 HE2 LYS 2 2HE LYS 2 4.148 25.560 -6.100
25 HE3 LYS 2 1HE LYS 2 5.852 25.733 -5.688
26 HZ1 LYS 2 3HZ LYS 2 5.272 26.703 -7.856
27 HZ2 LYS 2 1HZ LYS 2 4.833 25.168 -8.418
28 HZ3 LYS 2 2HZ LYS 2 6.443 25.485 -7.977
29 H ALA 3 H ALA 3 5.672 19.026 -9.737
30 HA ALA 3 HA ALA 3 2.965 19.923 -10.041
31 HB1 ALA 3 1HB ALA 3 3.807 17.051 -10.383
32 HB2 ALA 3 2HB ALA 3 4.340 18.272 -11.538
33 HB3 ALA 3 3HB ALA 3 2.620 17.976 -11.302
34 H LEU 4 H LEU 4 3.168 20.222 -7.520
35 HA LEU 4 HA LEU 4 2.961 18.253 -5.649
36 HB2 LEU 4 2HB LEU 4 2.905 20.748 -5.252
37 HB3 LEU 4 1HB LEU 4 1.195 20.702 -5.668
38 HG LEU 4 HG LEU 4 0.711 19.198 -3.831
39 HD11 LEU 4 1HD1 LEU 4 3.680 18.945 -3.820
40 HD12 LEU 4 2HD1 LEU 4 2.439 17.721 -3.532
41 HD13 LEU 4 3HD1 LEU 4 2.863 18.871 -2.262
42 HD21 LEU 4 3HD2 LEU 4 0.959 20.724 -2.095
43 HD22 LEU 4 1HD2 LEU 4 1.237 21.765 -3.490
44 HD23 LEU 4 2HD2 LEU 4 2.609 21.152 -2.566
45 H LEU 5 H LEU 5 0.266 19.731 -7.333
46 HA LEU 5 HA LEU 5 -1.849 18.262 -6.403
47 HB2 LEU 5 2HB LEU 5 -2.801 18.483 -8.793
48 HB3 LEU 5 1HB LEU 5 -2.423 19.965 -7.921
49 HG LEU 5 HG LEU 5 -0.012 19.296 -9.196
50 HD11 LEU 5 1HD1 LEU 5 -1.256 19.337 -11.630
51 HD12 LEU 5 2HD1 LEU 5 -2.358 18.312 -10.712
52 HD13 LEU 5 3HD1 LEU 5 -0.657 17.874 -10.862
53 HD21 LEU 5 3HD2 LEU 5 -1.060 21.551 -8.886
54 HD22 LEU 5 1HD2 LEU 5 -2.186 21.169 -10.191
55 HD23 LEU 5 2HD2 LEU 5 -0.457 21.297 -10.523
56 H ALA 6 H ALA 6 0.211 17.427 -9.124
57 HA ALA 6 HA ALA 6 -0.956 14.832 -9.488
58 HB1 ALA 6 1HB ALA 6 0.088 15.897 -11.390
59 HB2 ALA 6 2HB ALA 6 1.012 14.447 -10.997
60 HB3 ALA 6 3HB ALA 6 1.618 16.034 -10.522
61 H LEU 7 H LEU 7 1.870 16.114 -7.871
62 HA LEU 7 HA LEU 7 3.172 13.734 -7.183
63 HB2 LEU 7 2HB LEU 7 4.250 15.873 -6.826
64 HB3 LEU 7 1HB LEU 7 2.976 16.367 -5.715
65 HG LEU 7 HG LEU 7 3.616 14.516 -4.190
66 HD11 LEU 7 1HD1 LEU 7 5.372 13.889 -6.484
67 HD12 LEU 7 2HD1 LEU 7 4.707 12.820 -5.251
68 HD13 LEU 7 3HD1 LEU 7 6.147 13.775 -4.907
69 HD21 LEU 7 3HD2 LEU 7 5.472 16.717 -4.967
70 HD22 LEU 7 1HD2 LEU 7 6.095 15.497 -3.854
71 HD23 LEU 7 2HD2 LEU 7 4.657 16.427 -3.431
72 H ALA 8 H ALA 8 0.847 15.633 -5.335
73 HA ALA 8 HA ALA 8 0.508 13.907 -3.163
74 HB1 ALA 8 1HB ALA 8 -0.424 16.257 -3.421
75 HB2 ALA 8 2HB ALA 8 -1.531 15.077 -2.718
76 HB3 ALA 8 3HB ALA 8 -1.701 15.544 -4.412
77 H LEU 9 H LEU 9 -1.472 14.218 -6.055
78 HA LEU 9 HA LEU 9 -3.231 12.117 -5.701
79 HB2 LEU 9 2HB LEU 9 -3.523 13.620 -7.567
80 HB3 LEU 9 1HB LEU 9 -1.973 13.139 -8.256
81 HG LEU 9 HG LEU 9 -2.815 10.857 -8.595
82 HD11 LEU 9 1HD1 LEU 9 -5.167 11.992 -7.110
83 HD12 LEU 9 2HD1 LEU 9 -4.383 10.427 -6.918
84 HD13 LEU 9 3HD1 LEU 9 -5.436 10.718 -8.297
85 HD21 LEU 9 3HD2 LEU 9 -4.840 12.844 -9.651
86 HD22 LEU 9 1HD2 LEU 9 -4.297 11.349 -10.414
87 HD23 LEU 9 2HD2 LEU 9 -3.196 12.722 -10.283
88 H HIS 10 H HIS 10 -0.051 12.039 -7.206
89 HA HIS 10 HA HIS 10 -0.072 9.241 -7.720
90 HB2 HIS 10 2HB HIS 10 1.586 10.039 -9.021
91 HB3 HIS 10 1HB HIS 10 1.812 11.457 -8.001
92 HD1 HIS 10 1HD HIS 10 2.680 7.743 -8.020
93 HD2 HIS 10 2HD HIS 10 4.083 11.332 -6.416
94 HE1 HIS 10 1HE HIS 10 4.850 7.195 -6.825
95 HE2 HIS 10 2HE HIS 10 5.723 9.378 -5.836
96 H HIS 11 H HIS 11 1.281 11.210 -5.140
97 HA HIS 11 HA HIS 11 2.728 9.344 -3.733
98 HB2 HIS 11 2HB HIS 11 1.348 11.850 -3.048
99 HB3 HIS 11 1HB HIS 11 1.621 10.767 -1.686
100 HD1 HIS 11 1HD HIS 11 4.329 9.550 -2.908
101 HD2 HIS 11 2HD HIS 11 3.479 13.602 -2.337
102 HE1 HIS 11 1HE HIS 11 6.564 10.747 -2.782
103 HE2 HIS 11 2HE HIS 11 6.063 13.220 -2.455
104 H LEU 12 H LEU 12 1.993 7.302 -3.505
105 HA LEU 12 HA LEU 12 -0.003 6.828 -1.507
106 HB2 LEU 12 2HB LEU 12 -1.144 7.119 -3.914
107 HB3 LEU 12 1HB LEU 12 -0.660 5.430 -4.052
108 HG LEU 12 HG LEU 12 -2.272 6.572 -1.750
109 HD11 LEU 12 1HD1 LEU 12 -3.541 6.583 -3.855
110 HD12 LEU 12 2HD1 LEU 12 -4.153 5.335 -2.770
111 HD13 LEU 12 3HD1 LEU 12 -3.118 4.897 -4.130
112 HD21 LEU 12 3HD2 LEU 12 -1.093 4.641 -0.990
113 HD22 LEU 12 1HD2 LEU 12 -1.343 3.794 -2.514
114 HD23 LEU 12 2HD2 LEU 12 -2.703 4.057 -1.417
115 H ALA 13 H ALA 13 0.897 4.778 -4.218
116 HA ALA 13 HA ALA 13 1.901 2.689 -4.262
117 HB1 ALA 13 1HB ALA 13 3.802 4.386 -4.016
118 HB2 ALA 13 2HB ALA 13 4.166 2.713 -3.586
119 HB3 ALA 13 3HB ALA 13 3.856 3.902 -2.321
120 H HIS 14 H HIS 14 3.416 1.325 -2.411
121 HA HIS 14 HA HIS 14 2.657 1.098 0.186
122 HB2 HIS 14 2HB HIS 14 0.424 0.370 -1.500
123 HB3 HIS 14 1HB HIS 14 0.959 -1.017 -0.552
124 HD1 HIS 14 1HD HIS 14 -0.843 -0.988 1.250
125 HD2 HIS 14 2HD HIS 14 1.077 2.695 0.825
126 HE1 HIS 14 1HE HIS 14 -1.577 0.431 3.218
127 HE2 HIS 14 2HE HIS 14 -0.420 2.677 2.978
128 H LEU 15 H LEU 15 2.559 -1.179 -2.524
129 HA LEU 15 HA LEU 15 4.089 -3.146 -1.123
130 HB2 LEU 15 2HB LEU 15 3.633 -2.873 -4.109
131 HB3 LEU 15 1HB LEU 15 4.186 -4.325 -3.272
132 HG LEU 15 HG LEU 15 1.532 -2.960 -2.730
133 HD11 LEU 15 1HD1 LEU 15 1.839 -5.589 -4.156
134 HD12 LEU 15 2HD1 LEU 15 1.929 -4.078 -5.058
135 HD13 LEU 15 3HD1 LEU 15 0.472 -4.479 -4.151
136 HD21 LEU 15 3HD2 LEU 15 1.001 -5.075 -1.570
137 HD22 LEU 15 1HD2 LEU 15 2.407 -4.300 -0.847
138 HD23 LEU 15 2HD2 LEU 15 2.617 -5.681 -1.926
139 H ALA 16 H ALA 16 4.763 -0.376 -3.021
140 HA ALA 16 HA ALA 16 7.456 -1.044 -3.702
141 HB1 ALA 16 1HB ALA 16 7.631 1.298 -4.399
142 HB2 ALA 16 2HB ALA 16 6.083 1.647 -3.631
143 HB3 ALA 16 3HB ALA 16 6.153 0.571 -5.024
144 H LEU 17 H LEU 17 5.997 1.138 -1.355
145 HA LEU 17 HA LEU 17 7.959 2.403 -0.114
146 HB2 LEU 17 2HB LEU 17 6.396 2.751 1.444
147 HB3 LEU 17 1HB LEU 17 5.402 1.540 0.652
148 HG LEU 17 HG LEU 17 6.664 -0.203 2.059
149 HD11 LEU 17 1HD1 LEU 17 8.112 2.129 2.825
150 HD12 LEU 17 2HD1 LEU 17 8.303 0.488 3.442
151 HD13 LEU 17 3HD1 LEU 17 7.194 1.607 4.235
152 HD21 LEU 17 3HD2 LEU 17 5.089 1.775 3.704
153 HD22 LEU 17 1HD2 LEU 17 5.108 0.017 3.823
154 HD23 LEU 17 2HD2 LEU 17 4.322 0.797 2.450
155 H HIS 18 H HIS 18 7.290 -0.983 0.339
156 HA HIS 18 HA HIS 18 9.496 -1.467 2.123
157 HB2 HIS 18 2HB HIS 18 8.330 -3.625 0.400
158 HB3 HIS 18 1HB HIS 18 8.914 -3.708 2.054
159 HD1 HIS 18 1HD HIS 18 7.230 -3.165 3.934
160 HD2 HIS 18 2HD HIS 18 5.751 -2.447 0.102
161 HE1 HIS 18 1HE HIS 18 4.755 -2.656 4.199
162 HE2 HIS 18 2HE HIS 18 3.843 -2.197 1.868
163 H LEU 19 H LEU 19 8.919 -2.519 -1.183
164 HA LEU 19 HA LEU 19 11.463 -3.458 -1.793
165 HB2 LEU 19 2HB LEU 19 9.633 -3.918 -3.266
166 HB3 LEU 19 1HB LEU 19 9.310 -2.205 -3.506
167 HG LEU 19 HG LEU 19 12.030 -3.246 -4.230
168 HD11 LEU 19 1HD1 LEU 19 10.735 -4.908 -5.336
169 HD12 LEU 19 2HD1 LEU 19 11.059 -3.683 -6.565
170 HD13 LEU 19 3HD1 LEU 19 9.482 -3.745 -5.775
171 HD21 LEU 19 3HD2 LEU 19 10.717 -1.511 -6.138
172 HD22 LEU 19 1HD2 LEU 19 12.172 -1.211 -5.189
173 HD23 LEU 19 2HD2 LEU 19 10.590 -0.827 -4.518
174 H ALA 20 H ALA 20 10.193 -0.269 -1.585
175 HA ALA 20 HA ALA 20 12.336 1.056 -2.965
176 HB1 ALA 20 1HB ALA 20 11.385 3.112 -1.858
177 HB2 ALA 20 2HB ALA 20 10.210 2.065 -1.061
178 HB3 ALA 20 3HB ALA 20 10.216 2.207 -2.816
179 H LEU 21 H LEU 21 11.410 0.635 0.417
180 HA LEU 21 HA LEU 21 13.630 1.877 1.597
181 HB2 LEU 21 2HB LEU 21 11.529 -0.002 2.445
182 HB3 LEU 21 1HB LEU 21 13.039 -0.169 3.339
183 HG LEU 21 HG LEU 21 11.624 2.473 2.887
184 HD11 LEU 21 1HD1 LEU 21 10.512 2.225 4.883
185 HD12 LEU 21 2HD1 LEU 21 11.738 1.157 5.560
186 HD13 LEU 21 3HD1 LEU 21 10.567 0.532 4.395
187 HD21 LEU 21 3HD2 LEU 21 14.192 1.633 4.066
188 HD22 LEU 21 1HD2 LEU 21 13.233 2.668 5.125
189 HD23 LEU 21 2HD2 LEU 21 13.677 3.225 3.513
190 H ALA 22 H ALA 22 13.019 -1.509 0.886
191 HA ALA 22 HA ALA 22 15.524 -2.565 1.564
192 HB1 ALA 22 1HB ALA 22 13.687 -3.509 -0.654
193 HB2 ALA 22 2HB ALA 22 13.520 -3.946 1.048
194 HB3 ALA 22 3HB ALA 22 14.941 -4.456 0.139
195 H LEU 23 H LEU 23 14.446 -0.852 -1.259
196 HA LEU 23 HA LEU 23 16.474 -1.514 -3.069
197 HB2 LEU 23 2HB LEU 23 14.308 0.117 -3.179
198 HB3 LEU 23 1HB LEU 23 15.588 1.315 -3.043
199 HG LEU 23 HG LEU 23 15.785 -0.948 -5.030
200 HD11 LEU 23 1HD1 LEU 23 13.659 0.233 -5.466
201 HD12 LEU 23 2HD1 LEU 23 14.844 0.565 -6.728
202 HD13 LEU 23 3HD1 LEU 23 14.518 1.771 -5.482
203 HD21 LEU 23 3HD2 LEU 23 17.201 0.774 -6.194
204 HD22 LEU 23 1HD2 LEU 23 17.831 0.296 -4.623
205 HD23 LEU 23 2HD2 LEU 23 16.982 1.829 -4.801
206 H LYS 24 H LYS 24 16.274 1.016 -0.640
207 HA LYS 24 HA LYS 24 19.070 1.755 -1.070
208 HB2 LYS 24 2HB LYS 24 16.871 2.892 0.651
209 HB3 LYS 24 1HB LYS 24 18.543 3.420 0.797
210 HG2 LYS 24 2HG LYS 24 17.789 4.961 -0.758
211 HG3 LYS 24 1HG LYS 24 18.342 3.684 -1.844
212 HD2 LYS 24 2HD LYS 24 16.171 4.148 -2.658
213 HD3 LYS 24 1HD LYS 24 15.909 2.752 -1.615
214 HE2 LYS 24 2HE LYS 24 14.244 4.594 -1.248
215 HE3 LYS 24 1HE LYS 24 15.155 4.172 0.199
216 HZ1 LYS 24 3HZ LYS 24 14.879 6.647 -0.645
217 HZ2 LYS 24 1HZ LYS 24 16.282 6.243 -1.504
218 HZ3 LYS 24 2HZ LYS 24 16.260 6.117 0.190
219 H LYS 25 H LYS 25 16.975 0.464 1.431
220 HA LYS 25 HA LYS 25 19.143 0.034 3.282
221 HB2 LYS 25 2HB LYS 25 16.447 0.335 3.595
222 HB3 LYS 25 1HB LYS 25 16.608 -1.411 3.732
223 HG2 LYS 25 2HG LYS 25 18.728 -0.146 5.222
224 HG3 LYS 25 1HG LYS 25 17.185 0.546 5.704
225 HD2 LYS 25 2HD LYS 25 17.556 -1.368 7.111
226 HD3 LYS 25 1HD LYS 25 16.297 -1.806 5.962
227 HE2 LYS 25 2HE LYS 25 17.980 -3.609 6.210
228 HE3 LYS 25 1HE LYS 25 17.928 -2.981 4.568
229 HZ1 LYS 25 3HZ LYS 25 19.777 -1.413 5.446
230 HZ2 LYS 25 1HZ LYS 25 20.171 -3.001 4.983
231 HZ3 LYS 25 2HZ LYS 25 19.984 -2.606 6.633
232 H ALA 26 H ALA 26 20.595 -1.334 2.264
233 HA ALA 26 HA ALA 26 19.707 -3.847 1.113
234 HB1 ALA 26 1HB ALA 26 21.606 -3.432 -0.029
235 HB2 ALA 26 2HB ALA 26 22.460 -4.003 1.403
236 HB3 ALA 26 3HB ALA 26 22.172 -2.278 1.175