Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
467740 | 2kjn RC | 16332 | 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 -9.372 2.111 17.434
2 H2 LYS 1 2HT LYS 1 -8.325 0.903 16.869
3 H3 LYS 1 3HT LYS 1 -9.603 1.447 15.898
4 HA LYS 1 HA LYS 1 -7.589 3.369 16.814
5 HB2 LYS 1 2HB LYS 1 -6.315 2.890 14.695
6 HB3 LYS 1 1HB LYS 1 -6.221 1.588 15.878
7 HG2 LYS 1 2HG LYS 1 -8.169 0.492 14.681
8 HG3 LYS 1 1HG LYS 1 -7.980 1.704 13.415
9 HD2 LYS 1 2HD LYS 1 -5.861 0.900 12.781
10 HD3 LYS 1 1HD LYS 1 -5.617 0.057 14.310
11 HE2 LYS 1 2HE LYS 1 -7.575 -0.707 12.121
12 HE3 LYS 1 1HE LYS 1 -6.120 -1.584 12.581
13 HZ1 LYS 1 2HZ LYS 1 -7.469 -1.315 14.919
14 HZ2 LYS 1 3HZ LYS 1 -7.449 -2.709 13.945
15 HZ3 LYS 1 1HZ LYS 1 -8.712 -1.587 13.803
16 H LYS 2 H LYS 2 -7.729 5.257 15.595
17 HA LYS 2 HA LYS 2 -10.267 5.703 14.285
18 HB2 LYS 2 2HB LYS 2 -7.873 7.506 14.744
19 HB3 LYS 2 1HB LYS 2 -9.387 8.035 14.010
20 HG2 LYS 2 2HG LYS 2 -10.076 6.633 16.386
21 HG3 LYS 2 1HG LYS 2 -8.759 7.728 16.805
22 HD2 LYS 2 2HD LYS 2 -10.567 9.163 17.056
23 HD3 LYS 2 1HD LYS 2 -10.174 9.456 15.363
24 HE2 LYS 2 2HE LYS 2 -12.500 9.080 15.315
25 HE3 LYS 2 1HE LYS 2 -11.828 7.518 14.860
26 HZ1 LYS 2 3HZ LYS 2 -12.608 8.255 17.627
27 HZ2 LYS 2 1HZ LYS 2 -12.098 6.732 17.082
28 HZ3 LYS 2 2HZ LYS 2 -13.581 7.374 16.553
29 H ALA 3 H ALA 3 -10.596 5.152 12.226
30 HA ALA 3 HA ALA 3 -8.352 5.463 10.314
31 HB1 ALA 3 1HB ALA 3 -9.083 3.527 9.130
32 HB2 ALA 3 2HB ALA 3 -10.578 3.434 10.061
33 HB3 ALA 3 3HB ALA 3 -9.034 3.067 10.831
34 H LEU 4 H LEU 4 -9.005 5.976 8.122
35 HA LEU 4 HA LEU 4 -11.541 7.494 8.041
36 HB2 LEU 4 2HB LEU 4 -9.231 7.953 6.170
37 HB3 LEU 4 1HB LEU 4 -10.539 9.053 6.605
38 HG LEU 4 HG LEU 4 -8.344 8.126 8.488
39 HD11 LEU 4 1HD1 LEU 4 -7.849 10.694 8.307
40 HD12 LEU 4 2HD1 LEU 4 -8.734 10.574 6.787
41 HD13 LEU 4 3HD1 LEU 4 -7.276 9.615 7.032
42 HD21 LEU 4 3HD2 LEU 4 -10.312 8.619 9.768
43 HD22 LEU 4 1HD2 LEU 4 -10.693 10.021 8.775
44 HD23 LEU 4 2HD2 LEU 4 -9.308 10.065 9.864
45 H LEU 5 H LEU 5 -11.985 7.851 5.487
46 HA LEU 5 HA LEU 5 -12.645 5.199 4.521
47 HB2 LEU 5 2HB LEU 5 -13.508 7.940 3.988
48 HB3 LEU 5 1HB LEU 5 -13.300 7.006 2.508
49 HG LEU 5 HG LEU 5 -15.604 6.841 3.511
50 HD11 LEU 5 1HD1 LEU 5 -15.713 4.345 3.355
51 HD12 LEU 5 2HD1 LEU 5 -13.949 4.310 3.321
52 HD13 LEU 5 3HD1 LEU 5 -14.847 5.090 2.017
53 HD21 LEU 5 3HD2 LEU 5 -14.509 4.978 5.582
54 HD22 LEU 5 1HD2 LEU 5 -15.994 5.924 5.600
55 HD23 LEU 5 2HD2 LEU 5 -14.443 6.712 5.913
56 H ALA 6 H ALA 6 -11.484 4.041 3.128
57 HA ALA 6 HA ALA 6 -9.985 5.173 0.978
58 HB1 ALA 6 1HB ALA 6 -8.592 5.502 3.214
59 HB2 ALA 6 2HB ALA 6 -7.805 5.043 1.706
60 HB3 ALA 6 3HB ALA 6 -8.170 3.818 2.920
61 H LEU 7 H LEU 7 -8.577 3.433 -0.080
62 HA LEU 7 HA LEU 7 -10.101 0.923 0.017
63 HB2 LEU 7 2HB LEU 7 -9.287 2.392 -2.138
64 HB3 LEU 7 1HB LEU 7 -7.985 1.207 -2.011
65 HG LEU 7 HG LEU 7 -10.154 -0.396 -1.599
66 HD11 LEU 7 1HD1 LEU 7 -11.819 1.282 -1.988
67 HD12 LEU 7 2HD1 LEU 7 -11.777 0.263 -3.425
68 HD13 LEU 7 3HD1 LEU 7 -11.002 1.845 -3.442
69 HD21 LEU 7 3HD2 LEU 7 -9.652 -1.306 -3.684
70 HD22 LEU 7 1HD2 LEU 7 -8.171 -0.432 -3.301
71 HD23 LEU 7 2HD2 LEU 7 -9.346 0.273 -4.410
72 H ALA 8 H ALA 8 -9.336 -0.590 1.286
73 HA ALA 8 HA ALA 8 -6.813 -0.624 2.510
74 HB1 ALA 8 1HB ALA 8 -8.620 -1.858 3.489
75 HB2 ALA 8 2HB ALA 8 -7.380 -3.024 3.028
76 HB3 ALA 8 3HB ALA 8 -8.817 -2.825 2.029
77 H LEU 9 H LEU 9 -7.848 -1.736 -0.537
78 HA LEU 9 HA LEU 9 -5.747 -3.592 -1.068
79 HB2 LEU 9 2HB LEU 9 -8.095 -2.696 -2.314
80 HB3 LEU 9 1HB LEU 9 -6.780 -2.310 -3.424
81 HG LEU 9 HG LEU 9 -7.276 -5.030 -2.169
82 HD11 LEU 9 1HD1 LEU 9 -7.809 -5.678 -4.534
83 HD12 LEU 9 2HD1 LEU 9 -7.777 -3.971 -4.961
84 HD13 LEU 9 3HD1 LEU 9 -8.978 -4.573 -3.819
85 HD21 LEU 9 3HD2 LEU 9 -5.307 -4.192 -4.331
86 HD22 LEU 9 1HD2 LEU 9 -5.508 -5.815 -3.680
87 HD23 LEU 9 2HD2 LEU 9 -4.874 -4.529 -2.657
88 H HIS 10 H HIS 10 -6.405 -0.470 -2.580
89 HA HIS 10 HA HIS 10 -3.930 -0.019 -3.759
90 HB2 HIS 10 2HB HIS 10 -6.098 1.759 -2.713
91 HB3 HIS 10 1HB HIS 10 -4.550 2.482 -3.126
92 HD1 HIS 10 1HD HIS 10 -4.818 3.483 -5.399
93 HD2 HIS 10 2HD HIS 10 -6.581 -0.292 -5.162
94 HE1 HIS 10 1HE HIS 10 -5.634 2.922 -7.735
95 HE2 HIS 10 2HE HIS 10 -6.734 0.629 -7.600
96 H HIS 11 H HIS 11 -5.155 0.581 -0.599
97 HA HIS 11 HA HIS 11 -3.258 1.992 0.731
98 HB2 HIS 11 2HB HIS 11 -5.260 -0.006 1.330
99 HB3 HIS 11 1HB HIS 11 -3.866 -0.163 2.411
100 HD1 HIS 11 1HD HIS 11 -3.698 1.506 4.296
101 HD2 HIS 11 2HD HIS 11 -6.340 2.743 1.310
102 HE1 HIS 11 1HE HIS 11 -4.729 3.681 5.111
103 HE2 HIS 11 2HE HIS 11 -6.325 4.470 3.286
104 H LEU 12 H LEU 12 -3.251 -1.433 -0.014
105 HA LEU 12 HA LEU 12 -0.745 -1.969 1.267
106 HB2 LEU 12 2HB LEU 12 -2.800 -3.494 0.052
107 HB3 LEU 12 1HB LEU 12 -1.319 -3.858 -0.832
108 HG LEU 12 HG LEU 12 -1.469 -3.875 2.193
109 HD11 LEU 12 1HD1 LEU 12 -1.572 -6.280 0.352
110 HD12 LEU 12 2HD1 LEU 12 -3.017 -5.555 1.059
111 HD13 LEU 12 3HD1 LEU 12 -1.782 -6.260 2.105
112 HD21 LEU 12 3HD2 LEU 12 0.512 -4.788 0.103
113 HD22 LEU 12 1HD2 LEU 12 0.557 -5.415 1.746
114 HD23 LEU 12 2HD2 LEU 12 0.785 -3.693 1.454
115 H ALA 13 H ALA 13 -1.781 -1.519 -2.039
116 HA ALA 13 HA ALA 13 0.752 -1.759 -3.276
117 HB1 ALA 13 1HB ALA 13 -0.239 -0.590 -5.175
118 HB2 ALA 13 2HB ALA 13 -1.572 -0.032 -4.169
119 HB3 ALA 13 3HB ALA 13 -1.402 -1.745 -4.533
120 H HIS 14 H HIS 14 -0.851 0.751 -1.564
121 HA HIS 14 HA HIS 14 0.830 2.916 -2.326
122 HB2 HIS 14 2HB HIS 14 -0.970 3.857 -1.442
123 HB3 HIS 14 1HB HIS 14 -1.405 2.440 -0.521
124 HD1 HIS 14 1HD HIS 14 1.419 5.037 -0.300
125 HD2 HIS 14 2HD HIS 14 -1.312 3.021 2.133
126 HE1 HIS 14 1HE HIS 14 1.816 5.865 2.070
127 HE2 HIS 14 2HE HIS 14 0.160 4.644 3.568
128 H LEU 15 H LEU 15 0.662 0.897 0.560
129 HA LEU 15 HA LEU 15 2.918 1.945 1.877
130 HB2 LEU 15 2HB LEU 15 1.562 -0.741 1.828
131 HB3 LEU 15 1HB LEU 15 3.146 -0.611 2.581
132 HG LEU 15 HG LEU 15 2.355 0.686 4.330
133 HD11 LEU 15 1HD1 LEU 15 0.215 1.572 2.399
134 HD12 LEU 15 2HD1 LEU 15 1.437 2.563 3.188
135 HD13 LEU 15 3HD1 LEU 15 0.097 1.904 4.124
136 HD21 LEU 15 3HD2 LEU 15 1.033 -1.589 3.810
137 HD22 LEU 15 1HD2 LEU 15 -0.327 -0.469 3.750
138 HD23 LEU 15 2HD2 LEU 15 0.661 -0.585 5.213
139 H ALA 16 H ALA 16 2.344 -0.343 -0.598
140 HA ALA 16 HA ALA 16 5.006 -1.307 -0.883
141 HB1 ALA 16 1HB ALA 16 2.714 -2.197 -1.859
142 HB2 ALA 16 2HB ALA 16 4.232 -2.501 -2.698
143 HB3 ALA 16 3HB ALA 16 3.176 -1.199 -3.234
144 H LEU 17 H LEU 17 3.289 1.429 -2.115
145 HA LEU 17 HA LEU 17 4.982 2.148 -4.206
146 HB2 LEU 17 2HB LEU 17 3.480 3.802 -4.411
147 HB3 LEU 17 1HB LEU 17 2.721 3.218 -2.942
148 HG LEU 17 HG LEU 17 4.350 4.678 -1.640
149 HD11 LEU 17 1HD1 LEU 17 4.921 6.686 -3.431
150 HD12 LEU 17 2HD1 LEU 17 5.203 5.246 -4.407
151 HD13 LEU 17 3HD1 LEU 17 6.079 5.469 -2.896
152 HD21 LEU 17 3HD2 LEU 17 3.020 6.690 -2.011
153 HD22 LEU 17 1HD2 LEU 17 1.980 5.272 -2.104
154 HD23 LEU 17 2HD2 LEU 17 2.497 6.082 -3.581
155 H HIS 18 H HIS 18 5.083 3.159 -0.812
156 HA HIS 18 HA HIS 18 7.596 4.542 -1.311
157 HB2 HIS 18 2HB HIS 18 7.614 5.063 1.022
158 HB3 HIS 18 1HB HIS 18 5.987 5.266 0.400
159 HD1 HIS 18 1HD HIS 18 8.002 3.145 2.707
160 HD2 HIS 18 2HD HIS 18 4.073 3.447 1.330
161 HE1 HIS 18 1HE HIS 18 6.596 1.698 4.251
162 HE2 HIS 18 2HE HIS 18 4.184 1.886 3.435
163 H LEU 19 H LEU 19 6.497 1.608 0.204
164 HA LEU 19 HA LEU 19 8.881 0.561 1.170
165 HB2 LEU 19 2HB LEU 19 6.342 -0.544 0.361
166 HB3 LEU 19 1HB LEU 19 7.632 -1.549 -0.270
167 HG LEU 19 HG LEU 19 7.037 -2.355 1.913
168 HD11 LEU 19 1HD1 LEU 19 9.188 -2.616 2.652
169 HD12 LEU 19 2HD1 LEU 19 9.508 -0.883 2.638
170 HD13 LEU 19 3HD1 LEU 19 9.571 -1.802 1.135
171 HD21 LEU 19 3HD2 LEU 19 7.720 0.396 2.965
172 HD22 LEU 19 1HD2 LEU 19 7.082 -0.961 3.889
173 HD23 LEU 19 2HD2 LEU 19 6.073 -0.160 2.688
174 H ALA 20 H ALA 20 7.658 0.962 -2.039
175 HA ALA 20 HA ALA 20 9.657 -0.582 -3.390
176 HB1 ALA 20 1HB ALA 20 7.460 0.206 -4.388
177 HB2 ALA 20 2HB ALA 20 8.876 0.424 -5.415
178 HB3 ALA 20 3HB ALA 20 8.198 1.799 -4.544
179 H LEU 21 H LEU 21 9.268 2.920 -3.240
180 HA LEU 21 HA LEU 21 11.777 3.612 -4.206
181 HB2 LEU 21 2HB LEU 21 9.695 4.948 -2.597
182 HB3 LEU 21 1HB LEU 21 11.317 5.602 -2.395
183 HG LEU 21 HG LEU 21 10.165 6.765 -4.213
184 HD11 LEU 21 1HD1 LEU 21 12.013 6.835 -5.543
185 HD12 LEU 21 2HD1 LEU 21 12.007 5.094 -5.814
186 HD13 LEU 21 3HD1 LEU 21 12.699 5.750 -4.331
187 HD21 LEU 21 3HD2 LEU 21 9.154 5.702 -6.026
188 HD22 LEU 21 1HD2 LEU 21 8.781 4.587 -4.715
189 HD23 LEU 21 2HD2 LEU 21 10.102 4.231 -5.826
190 H ALA 22 H ALA 22 10.717 3.042 -0.908
191 HA ALA 22 HA ALA 22 13.097 3.596 0.439
192 HB1 ALA 22 1HB ALA 22 11.227 3.284 1.813
193 HB2 ALA 22 2HB ALA 22 12.194 1.834 2.108
194 HB3 ALA 22 3HB ALA 22 10.794 1.759 1.031
195 H LEU 23 H LEU 23 12.063 0.686 -1.224
196 HA LEU 23 HA LEU 23 14.440 -0.789 -0.398
197 HB2 LEU 23 2HB LEU 23 11.928 -1.399 -1.867
198 HB3 LEU 23 1HB LEU 23 13.338 -2.384 -2.252
199 HG LEU 23 HG LEU 23 13.546 -3.164 -0.029
200 HD11 LEU 23 1HD1 LEU 23 11.817 -0.799 0.668
201 HD12 LEU 23 2HD1 LEU 23 13.371 -1.274 1.354
202 HD13 LEU 23 3HD1 LEU 23 11.914 -2.180 1.758
203 HD21 LEU 23 3HD2 LEU 23 11.104 -3.809 0.572
204 HD22 LEU 23 1HD2 LEU 23 11.739 -4.348 -0.983
205 HD23 LEU 23 2HD2 LEU 23 10.666 -2.946 -0.904
206 H LYS 24 H LYS 24 13.083 0.605 -3.305
207 HA LYS 24 HA LYS 24 15.214 -0.203 -5.014
208 HB2 LYS 24 2HB LYS 24 12.817 0.461 -5.656
209 HB3 LYS 24 1HB LYS 24 13.391 2.125 -5.551
210 HG2 LYS 24 2HG LYS 24 15.305 0.586 -7.042
211 HG3 LYS 24 1HG LYS 24 13.702 0.308 -7.719
212 HD2 LYS 24 2HD LYS 24 14.371 2.226 -8.867
213 HD3 LYS 24 1HD LYS 24 13.464 2.915 -7.525
214 HE2 LYS 24 2HE LYS 24 15.718 3.997 -7.971
215 HE3 LYS 24 1HE LYS 24 15.472 3.448 -6.321
216 HZ1 LYS 24 3HZ LYS 24 16.593 1.449 -8.077
217 HZ2 LYS 24 1HZ LYS 24 17.065 1.901 -6.507
218 HZ3 LYS 24 2HZ LYS 24 17.589 2.805 -7.856
219 H LYS 25 H LYS 25 14.530 2.785 -3.255
220 HA LYS 25 HA LYS 25 16.746 4.180 -4.451
221 HB2 LYS 25 2HB LYS 25 14.628 5.233 -3.466
222 HB3 LYS 25 1HB LYS 25 15.381 4.979 -1.893
223 HG2 LYS 25 2HG LYS 25 17.411 6.100 -3.466
224 HG3 LYS 25 1HG LYS 25 15.963 7.006 -3.906
225 HD2 LYS 25 2HD LYS 25 16.424 8.225 -2.036
226 HD3 LYS 25 1HD LYS 25 15.695 6.869 -1.180
227 HE2 LYS 25 2HE LYS 25 17.893 7.454 -0.225
228 HE3 LYS 25 1HE LYS 25 17.912 5.831 -0.910
229 HZ1 LYS 25 3HZ LYS 25 19.534 8.008 -1.553
230 HZ2 LYS 25 1HZ LYS 25 18.593 7.658 -2.916
231 HZ3 LYS 25 2HZ LYS 25 19.569 6.440 -2.223
232 H ALA 26 H ALA 26 18.784 3.727 -4.019
233 HA ALA 26 HA ALA 26 19.514 2.581 -1.422
234 HB1 ALA 26 1HB ALA 26 20.944 2.867 -4.066
235 HB2 ALA 26 2HB ALA 26 20.521 1.386 -3.204
236 HB3 ALA 26 3HB ALA 26 21.809 2.427 -2.593
Start of MODEL 2
1 H1 LYS 1 1HT LYS 1 -21.203 5.623 3.364
2 H2 LYS 1 2HT LYS 1 -21.951 6.058 4.821
3 H3 LYS 1 3HT LYS 1 -21.190 7.240 3.876
4 HA LYS 1 HA LYS 1 -23.165 5.835 2.388
5 HB2 LYS 1 2HB LYS 1 -23.851 7.002 5.061
6 HB3 LYS 1 1HB LYS 1 -24.998 7.173 3.736
7 HG2 LYS 1 2HG LYS 1 -23.920 4.450 3.968
8 HG3 LYS 1 1HG LYS 1 -24.796 4.970 5.406
9 HD2 LYS 1 2HD LYS 1 -26.794 5.351 4.211
10 HD3 LYS 1 1HD LYS 1 -25.962 5.405 2.657
11 HE2 LYS 1 2HE LYS 1 -26.518 2.985 4.384
12 HE3 LYS 1 1HE LYS 1 -27.060 3.285 2.736
13 HZ1 LYS 1 2HZ LYS 1 -24.430 3.464 2.416
14 HZ2 LYS 1 3HZ LYS 1 -25.286 2.009 2.247
15 HZ3 LYS 1 1HZ LYS 1 -24.482 2.350 3.701
16 H LYS 2 H LYS 2 -24.038 7.242 0.927
17 HA LYS 2 HA LYS 2 -24.067 8.993 -0.502
18 HB2 LYS 2 2HB LYS 2 -24.803 11.067 0.350
19 HB3 LYS 2 1HB LYS 2 -25.463 9.842 1.426
20 HG2 LYS 2 2HG LYS 2 -23.870 10.348 3.132
21 HG3 LYS 2 1HG LYS 2 -22.870 11.288 2.027
22 HD2 LYS 2 2HD LYS 2 -25.267 12.590 1.803
23 HD3 LYS 2 1HD LYS 2 -25.308 12.083 3.493
24 HE2 LYS 2 2HE LYS 2 -23.035 13.599 2.163
25 HE3 LYS 2 1HE LYS 2 -24.238 14.311 3.239
26 HZ1 LYS 2 3HZ LYS 2 -21.861 13.203 3.981
27 HZ2 LYS 2 1HZ LYS 2 -22.985 12.001 4.376
28 HZ3 LYS 2 2HZ LYS 2 -23.155 13.567 5.013
29 H ALA 3 H ALA 3 -21.654 9.594 2.056
30 HA ALA 3 HA ALA 3 -20.105 11.432 0.558
31 HB1 ALA 3 1HB ALA 3 -20.032 10.812 3.105
32 HB2 ALA 3 2HB ALA 3 -18.550 11.298 2.283
33 HB3 ALA 3 3HB ALA 3 -18.874 9.591 2.577
34 H LEU 4 H LEU 4 -17.855 10.985 -0.184
35 HA LEU 4 HA LEU 4 -17.890 8.713 -1.982
36 HB2 LEU 4 2HB LEU 4 -17.061 10.805 -2.857
37 HB3 LEU 4 1HB LEU 4 -15.905 10.954 -1.536
38 HG LEU 4 HG LEU 4 -15.675 8.423 -3.050
39 HD11 LEU 4 1HD1 LEU 4 -16.274 9.979 -4.884
40 HD12 LEU 4 2HD1 LEU 4 -14.594 9.454 -4.998
41 HD13 LEU 4 3HD1 LEU 4 -14.974 11.060 -4.379
42 HD21 LEU 4 3HD2 LEU 4 -13.582 10.551 -2.544
43 HD22 LEU 4 1HD2 LEU 4 -13.352 8.805 -2.708
44 HD23 LEU 4 2HD2 LEU 4 -14.114 9.464 -1.261
45 H LEU 5 H LEU 5 -16.467 6.980 -1.960
46 HA LEU 5 HA LEU 5 -14.951 6.620 0.554
47 HB2 LEU 5 2HB LEU 5 -16.709 4.791 -0.998
48 HB3 LEU 5 1HB LEU 5 -15.244 4.088 -0.311
49 HG LEU 5 HG LEU 5 -17.175 5.765 1.315
50 HD11 LEU 5 1HD1 LEU 5 -18.523 3.938 0.782
51 HD12 LEU 5 2HD1 LEU 5 -17.707 3.355 2.233
52 HD13 LEU 5 3HD1 LEU 5 -17.155 2.839 0.639
53 HD21 LEU 5 3HD2 LEU 5 -15.914 5.131 3.162
54 HD22 LEU 5 1HD2 LEU 5 -14.646 5.192 1.942
55 HD23 LEU 5 2HD2 LEU 5 -15.350 3.643 2.399
56 H ALA 6 H ALA 6 -13.126 5.021 0.295
57 HA ALA 6 HA ALA 6 -11.747 5.487 -2.286
58 HB1 ALA 6 1HB ALA 6 -9.685 5.709 -1.158
59 HB2 ALA 6 2HB ALA 6 -10.319 5.000 0.327
60 HB3 ALA 6 3HB ALA 6 -10.812 6.622 -0.153
61 H LEU 7 H LEU 7 -9.737 3.798 -2.247
62 HA LEU 7 HA LEU 7 -11.027 1.225 -2.482
63 HB2 LEU 7 2HB LEU 7 -8.357 2.365 -3.181
64 HB3 LEU 7 1HB LEU 7 -8.484 0.621 -2.998
65 HG LEU 7 HG LEU 7 -8.872 1.359 -5.350
66 HD11 LEU 7 1HD1 LEU 7 -11.571 0.450 -4.548
67 HD12 LEU 7 2HD1 LEU 7 -10.244 -0.527 -3.926
68 HD13 LEU 7 3HD1 LEU 7 -10.422 -0.283 -5.662
69 HD21 LEU 7 3HD2 LEU 7 -11.440 2.595 -4.323
70 HD22 LEU 7 1HD2 LEU 7 -10.733 2.733 -5.935
71 HD23 LEU 7 2HD2 LEU 7 -9.977 3.552 -4.569
72 H ALA 8 H ALA 8 -9.224 -0.620 -1.742
73 HA ALA 8 HA ALA 8 -8.650 -0.116 1.101
74 HB1 ALA 8 1HB ALA 8 -10.786 -1.683 0.189
75 HB2 ALA 8 2HB ALA 8 -10.139 -1.633 1.830
76 HB3 ALA 8 3HB ALA 8 -9.546 -2.837 0.686
77 H LEU 9 H LEU 9 -7.998 -1.885 -1.799
78 HA LEU 9 HA LEU 9 -5.832 -3.413 -0.620
79 HB2 LEU 9 2HB LEU 9 -7.357 -3.426 -3.077
80 HB3 LEU 9 1HB LEU 9 -5.626 -3.581 -3.373
81 HG LEU 9 HG LEU 9 -6.690 -5.799 -3.041
82 HD11 LEU 9 1HD1 LEU 9 -4.975 -6.642 -1.707
83 HD12 LEU 9 2HD1 LEU 9 -5.060 -5.299 -0.568
84 HD13 LEU 9 3HD1 LEU 9 -4.313 -5.071 -2.150
85 HD21 LEU 9 3HD2 LEU 9 -7.281 -4.762 -0.250
86 HD22 LEU 9 1HD2 LEU 9 -7.664 -6.362 -0.882
87 HD23 LEU 9 2HD2 LEU 9 -8.485 -4.943 -1.525
88 H HIS 10 H HIS 10 -6.116 -1.119 -3.256
89 HA HIS 10 HA HIS 10 -3.518 -0.608 -3.913
90 HB2 HIS 10 2HB HIS 10 -5.827 1.291 -3.547
91 HB3 HIS 10 1HB HIS 10 -4.242 1.866 -4.059
92 HD1 HIS 10 1HD HIS 10 -5.392 2.474 -6.400
93 HD2 HIS 10 2HD HIS 10 -5.214 -1.603 -5.516
94 HE1 HIS 10 1HE HIS 10 -5.897 1.248 -8.557
95 HE2 HIS 10 2HE HIS 10 -5.782 -1.239 -8.041
96 H HIS 11 H HIS 11 -5.292 0.385 -1.156
97 HA HIS 11 HA HIS 11 -3.814 2.210 0.183
98 HB2 HIS 11 2HB HIS 11 -5.633 0.011 0.790
99 HB3 HIS 11 1HB HIS 11 -4.529 0.396 2.126
100 HD1 HIS 11 1HD HIS 11 -4.757 2.727 3.252
101 HD2 HIS 11 2HD HIS 11 -7.394 2.182 0.062
102 HE1 HIS 11 1HE HIS 11 -6.389 4.673 3.315
103 HE2 HIS 11 2HE HIS 11 -8.007 4.348 1.385
104 H LEU 12 H LEU 12 -3.262 -1.233 -0.062
105 HA LEU 12 HA LEU 12 -0.906 -1.169 1.632
106 HB2 LEU 12 2HB LEU 12 -2.318 -3.300 0.041
107 HB3 LEU 12 1HB LEU 12 -0.693 -3.581 0.659
108 HG LEU 12 HG LEU 12 -1.655 -2.757 2.940
109 HD11 LEU 12 1HD1 LEU 12 -3.797 -1.976 2.564
110 HD12 LEU 12 2HD1 LEU 12 -4.176 -3.661 2.912
111 HD13 LEU 12 3HD1 LEU 12 -4.091 -3.110 1.241
112 HD21 LEU 12 3HD2 LEU 12 -2.590 -5.116 3.338
113 HD22 LEU 12 1HD2 LEU 12 -0.945 -5.029 2.709
114 HD23 LEU 12 2HD2 LEU 12 -2.282 -5.412 1.628
115 H ALA 13 H ALA 13 -1.723 -1.538 -1.744
116 HA ALA 13 HA ALA 13 0.824 -1.881 -2.855
117 HB1 ALA 13 1HB ALA 13 -0.089 -1.063 -4.923
118 HB2 ALA 13 2HB ALA 13 -1.353 -0.165 -4.083
119 HB3 ALA 13 3HB ALA 13 -1.391 -1.930 -4.110
120 H HIS 14 H HIS 14 -0.820 0.848 -1.549
121 HA HIS 14 HA HIS 14 0.958 2.897 -2.418
122 HB2 HIS 14 2HB HIS 14 -1.050 3.743 -1.742
123 HB3 HIS 14 1HB HIS 14 -1.221 2.625 -0.406
124 HD1 HIS 14 1HD HIS 14 1.231 5.422 -1.328
125 HD2 HIS 14 2HD HIS 14 -0.830 3.903 1.964
126 HE1 HIS 14 1HE HIS 14 1.837 6.896 0.642
127 HE2 HIS 14 2HE HIS 14 0.610 5.972 2.664
128 H LEU 15 H LEU 15 0.585 1.115 0.606
129 HA LEU 15 HA LEU 15 2.828 2.190 1.948
130 HB2 LEU 15 2HB LEU 15 1.397 -0.467 2.054
131 HB3 LEU 15 1HB LEU 15 2.866 -0.213 2.985
132 HG LEU 15 HG LEU 15 1.798 1.067 4.525
133 HD11 LEU 15 1HD1 LEU 15 0.014 2.736 3.921
134 HD12 LEU 15 2HD1 LEU 15 0.222 2.265 2.236
135 HD13 LEU 15 3HD1 LEU 15 1.553 3.019 3.114
136 HD21 LEU 15 3HD2 LEU 15 0.270 -0.947 3.952
137 HD22 LEU 15 1HD2 LEU 15 -0.786 0.255 3.207
138 HD23 LEU 15 2HD2 LEU 15 -0.414 0.354 4.928
139 H ALA 16 H ALA 16 2.270 -0.225 -0.390
140 HA ALA 16 HA ALA 16 4.906 -1.328 -0.461
141 HB1 ALA 16 1HB ALA 16 2.551 -2.116 -1.523
142 HB2 ALA 16 2HB ALA 16 4.110 -2.698 -2.101
143 HB3 ALA 16 3HB ALA 16 3.294 -1.386 -2.946
144 H LEU 17 H LEU 17 3.339 1.368 -1.977
145 HA LEU 17 HA LEU 17 5.151 1.876 -4.038
146 HB2 LEU 17 2HB LEU 17 3.464 3.319 -4.405
147 HB3 LEU 17 1HB LEU 17 2.985 3.308 -2.719
148 HG LEU 17 HG LEU 17 5.496 4.778 -3.282
149 HD11 LEU 17 1HD1 LEU 17 2.859 5.966 -4.165
150 HD12 LEU 17 2HD1 LEU 17 4.059 5.306 -5.276
151 HD13 LEU 17 3HD1 LEU 17 4.460 6.700 -4.273
152 HD21 LEU 17 3HD2 LEU 17 4.798 6.110 -1.520
153 HD22 LEU 17 1HD2 LEU 17 3.957 4.614 -1.118
154 HD23 LEU 17 2HD2 LEU 17 3.091 5.923 -1.917
155 H HIS 18 H HIS 18 5.140 3.135 -0.719
156 HA HIS 18 HA HIS 18 7.671 4.462 -1.202
157 HB2 HIS 18 2HB HIS 18 7.644 5.082 1.095
158 HB3 HIS 18 1HB HIS 18 6.024 5.249 0.448
159 HD1 HIS 18 1HD HIS 18 8.035 3.158 2.815
160 HD2 HIS 18 2HD HIS 18 4.112 3.487 1.429
161 HE1 HIS 18 1HE HIS 18 6.611 1.745 4.367
162 HE2 HIS 18 2HE HIS 18 4.208 1.953 3.558
163 H LEU 19 H LEU 19 6.547 1.578 0.397
164 HA LEU 19 HA LEU 19 8.924 0.573 1.439
165 HB2 LEU 19 2HB LEU 19 6.377 -0.509 0.708
166 HB3 LEU 19 1HB LEU 19 7.616 -1.555 0.030
167 HG LEU 19 HG LEU 19 7.142 -2.367 2.220
168 HD11 LEU 19 1HD1 LEU 19 9.605 -0.719 2.707
169 HD12 LEU 19 2HD1 LEU 19 9.607 -1.969 1.460
170 HD13 LEU 19 3HD1 LEU 19 9.292 -2.397 3.143
171 HD21 LEU 19 3HD2 LEU 19 7.850 0.254 3.482
172 HD22 LEU 19 1HD2 LEU 19 6.867 -1.061 4.122
173 HD23 LEU 19 2HD2 LEU 19 6.215 -0.002 2.870
174 H ALA 20 H ALA 20 7.700 0.846 -1.772
175 HA ALA 20 HA ALA 20 9.731 -0.680 -3.132
176 HB1 ALA 20 1HB ALA 20 8.191 1.576 -4.395
177 HB2 ALA 20 2HB ALA 20 7.399 0.047 -4.016
178 HB3 ALA 20 3HB ALA 20 8.760 0.085 -5.133
179 H LEU 21 H LEU 21 9.091 2.764 -2.835
180 HA LEU 21 HA LEU 21 11.317 3.828 -4.049
181 HB2 LEU 21 2HB LEU 21 9.471 4.744 -1.953
182 HB3 LEU 21 1HB LEU 21 11.079 5.445 -1.815
183 HG LEU 21 HG LEU 21 9.741 6.885 -3.234
184 HD11 LEU 21 1HD1 LEU 21 12.190 5.856 -3.931
185 HD12 LEU 21 2HD1 LEU 21 11.398 7.203 -4.746
186 HD13 LEU 21 3HD1 LEU 21 11.246 5.574 -5.395
187 HD21 LEU 21 3HD2 LEU 21 8.106 5.102 -3.911
188 HD22 LEU 21 1HD2 LEU 21 9.322 4.476 -5.029
189 HD23 LEU 21 2HD2 LEU 21 8.664 6.094 -5.256
190 H ALA 22 H ALA 22 10.974 2.868 -0.676
191 HA ALA 22 HA ALA 22 13.641 3.310 0.110
192 HB1 ALA 22 1HB ALA 22 11.554 1.393 1.155
193 HB2 ALA 22 2HB ALA 22 12.010 2.959 1.825
194 HB3 ALA 22 3HB ALA 22 13.133 1.604 1.913
195 H LEU 23 H LEU 23 12.048 0.564 -1.358
196 HA LEU 23 HA LEU 23 14.212 -1.264 -1.215
197 HB2 LEU 23 2HB LEU 23 11.710 -1.673 -1.851
198 HB3 LEU 23 1HB LEU 23 12.239 -1.248 -3.479
199 HG LEU 23 HG LEU 23 14.204 -3.003 -2.778
200 HD11 LEU 23 1HD1 LEU 23 12.800 -3.359 -0.610
201 HD12 LEU 23 2HD1 LEU 23 13.386 -4.783 -1.471
202 HD13 LEU 23 3HD1 LEU 23 11.708 -4.275 -1.657
203 HD21 LEU 23 3HD2 LEU 23 12.767 -4.716 -4.026
204 HD22 LEU 23 1HD2 LEU 23 13.034 -3.186 -4.862
205 HD23 LEU 23 2HD2 LEU 23 11.500 -3.493 -4.046
206 H LYS 24 H LYS 24 13.066 0.945 -3.676
207 HA LYS 24 HA LYS 24 15.111 0.484 -5.586
208 HB2 LYS 24 2HB LYS 24 12.790 1.715 -5.784
209 HB3 LYS 24 1HB LYS 24 13.731 3.136 -5.336
210 HG2 LYS 24 2HG LYS 24 15.231 1.754 -7.321
211 HG3 LYS 24 1HG LYS 24 13.565 1.826 -7.896
212 HD2 LYS 24 2HD LYS 24 14.992 4.254 -6.783
213 HD3 LYS 24 1HD LYS 24 15.050 3.836 -8.496
214 HE2 LYS 24 2HE LYS 24 12.510 4.308 -6.898
215 HE3 LYS 24 1HE LYS 24 13.248 5.473 -7.995
216 HZ1 LYS 24 3HZ LYS 24 11.606 4.405 -9.230
217 HZ2 LYS 24 1HZ LYS 24 12.010 2.869 -8.652
218 HZ3 LYS 24 2HZ LYS 24 13.049 3.664 -9.736
219 H LYS 25 H LYS 25 14.638 3.032 -3.197
220 HA LYS 25 HA LYS 25 17.442 3.255 -2.627
221 HB2 LYS 25 2HB LYS 25 17.264 4.536 -4.777
222 HB3 LYS 25 1HB LYS 25 16.121 5.619 -3.982
223 HG2 LYS 25 2HG LYS 25 18.092 5.702 -2.157
224 HG3 LYS 25 1HG LYS 25 19.062 5.333 -3.577
225 HD2 LYS 25 2HD LYS 25 18.897 7.459 -4.296
226 HD3 LYS 25 1HD LYS 25 17.137 7.379 -4.242
227 HE2 LYS 25 2HE LYS 25 18.881 7.874 -1.810
228 HE3 LYS 25 1HE LYS 25 18.124 9.157 -2.754
229 HZ1 LYS 25 3HZ LYS 25 16.987 7.469 -0.766
230 HZ2 LYS 25 1HZ LYS 25 16.126 7.339 -2.228
231 HZ3 LYS 25 2HZ LYS 25 16.333 8.856 -1.508
232 H ALA 26 H ALA 26 17.607 3.861 -0.554
233 HA ALA 26 HA ALA 26 15.275 4.569 0.959
234 HB1 ALA 26 1HB ALA 26 16.756 4.617 2.864
235 HB2 ALA 26 2HB ALA 26 18.173 4.705 1.817
236 HB3 ALA 26 3HB ALA 26 17.199 3.237 1.862
Start of MODEL 3
1 H1 LYS 1 1HT LYS 1 -12.889 18.422 -0.765
2 H2 LYS 1 2HT LYS 1 -12.219 17.480 0.479
3 H3 LYS 1 3HT LYS 1 -13.339 16.797 -0.595
4 HA LYS 1 HA LYS 1 -11.669 17.405 -2.408
5 HB2 LYS 1 2HB LYS 1 -9.565 16.949 -0.370
6 HB3 LYS 1 1HB LYS 1 -9.536 17.972 -1.804
7 HG2 LYS 1 2HG LYS 1 -11.054 19.590 -0.554
8 HG3 LYS 1 1HG LYS 1 -10.777 18.610 0.887
9 HD2 LYS 1 2HD LYS 1 -8.410 19.033 0.826
10 HD3 LYS 1 1HD LYS 1 -8.532 19.794 -0.760
11 HE2 LYS 1 2HE LYS 1 -8.339 21.474 1.059
12 HE3 LYS 1 1HE LYS 1 -9.868 21.626 0.192
13 HZ1 LYS 1 2HZ LYS 1 -11.041 20.980 1.985
14 HZ2 LYS 1 3HZ LYS 1 -9.660 21.453 2.857
15 HZ3 LYS 1 1HZ LYS 1 -9.898 19.821 2.467
16 H LYS 2 H LYS 2 -9.485 15.647 -2.114
17 HA LYS 2 HA LYS 2 -10.922 13.105 -2.028
18 HB2 LYS 2 2HB LYS 2 -8.057 13.697 -2.827
19 HB3 LYS 2 1HB LYS 2 -8.909 12.169 -3.060
20 HG2 LYS 2 2HG LYS 2 -10.652 13.556 -4.365
21 HG3 LYS 2 1HG LYS 2 -9.429 14.824 -4.408
22 HD2 LYS 2 2HD LYS 2 -8.895 11.986 -5.319
23 HD3 LYS 2 1HD LYS 2 -9.444 13.255 -6.412
24 HE2 LYS 2 2HE LYS 2 -6.869 13.192 -4.811
25 HE3 LYS 2 1HE LYS 2 -7.043 13.183 -6.566
26 HZ1 LYS 2 3HZ LYS 2 -6.548 15.382 -6.051
27 HZ2 LYS 2 1HZ LYS 2 -7.542 15.401 -4.683
28 HZ3 LYS 2 2HZ LYS 2 -8.232 15.399 -6.232
29 H ALA 3 H ALA 3 -7.792 12.336 -1.415
30 HA ALA 3 HA ALA 3 -6.798 11.324 0.402
31 HB1 ALA 3 1HB ALA 3 -7.732 13.936 1.609
32 HB2 ALA 3 2HB ALA 3 -6.167 13.608 0.864
33 HB3 ALA 3 3HB ALA 3 -6.597 12.837 2.389
34 H LEU 4 H LEU 4 -9.626 10.652 -0.012
35 HA LEU 4 HA LEU 4 -10.677 10.363 2.693
36 HB2 LEU 4 2HB LEU 4 -12.439 8.955 1.293
37 HB3 LEU 4 1HB LEU 4 -12.494 10.713 1.337
38 HG LEU 4 HG LEU 4 -11.271 10.830 -0.787
39 HD11 LEU 4 1HD1 LEU 4 -11.197 8.429 -1.969
40 HD12 LEU 4 2HD1 LEU 4 -10.999 7.894 -0.305
41 HD13 LEU 4 3HD1 LEU 4 -9.846 9.024 -1.008
42 HD21 LEU 4 3HD2 LEU 4 -13.508 8.810 -1.057
43 HD22 LEU 4 1HD2 LEU 4 -13.040 10.060 -2.210
44 HD23 LEU 4 2HD2 LEU 4 -13.795 10.507 -0.683
45 H LEU 5 H LEU 5 -11.659 8.054 3.092
46 HA LEU 5 HA LEU 5 -9.473 6.133 2.565
47 HB2 LEU 5 2HB LEU 5 -10.316 6.970 5.011
48 HB3 LEU 5 1HB LEU 5 -11.353 5.562 4.773
49 HG LEU 5 HG LEU 5 -9.197 4.328 4.052
50 HD11 LEU 5 1HD1 LEU 5 -7.285 5.508 5.578
51 HD12 LEU 5 2HD1 LEU 5 -8.144 6.937 5.004
52 HD13 LEU 5 3HD1 LEU 5 -7.457 5.801 3.847
53 HD21 LEU 5 3HD2 LEU 5 -8.767 3.664 6.307
54 HD22 LEU 5 1HD2 LEU 5 -10.473 4.086 6.237
55 HD23 LEU 5 2HD2 LEU 5 -9.316 5.217 6.943
56 H ALA 6 H ALA 6 -9.939 4.372 1.469
57 HA ALA 6 HA ALA 6 -12.516 3.102 1.496
58 HB1 ALA 6 1HB ALA 6 -13.289 3.592 -0.626
59 HB2 ALA 6 2HB ALA 6 -11.680 3.979 -1.234
60 HB3 ALA 6 3HB ALA 6 -12.537 5.131 -0.213
61 H LEU 7 H LEU 7 -12.270 1.645 -0.860
62 HA LEU 7 HA LEU 7 -11.303 -0.318 -1.569
63 HB2 LEU 7 2HB LEU 7 -8.622 0.997 -1.191
64 HB3 LEU 7 1HB LEU 7 -9.148 -0.087 -2.478
65 HG LEU 7 HG LEU 7 -10.866 2.207 -2.502
66 HD11 LEU 7 1HD1 LEU 7 -9.179 3.966 -2.978
67 HD12 LEU 7 2HD1 LEU 7 -7.901 2.849 -2.500
68 HD13 LEU 7 3HD1 LEU 7 -9.084 3.395 -1.315
69 HD21 LEU 7 3HD2 LEU 7 -8.665 1.285 -4.379
70 HD22 LEU 7 1HD2 LEU 7 -9.896 2.480 -4.780
71 HD23 LEU 7 2HD2 LEU 7 -10.362 0.812 -4.453
72 H ALA 8 H ALA 8 -8.749 -1.415 -0.909
73 HA ALA 8 HA ALA 8 -8.505 -1.571 1.958
74 HB1 ALA 8 1HB ALA 8 -9.472 -4.056 0.541
75 HB2 ALA 8 2HB ALA 8 -10.511 -3.007 1.503
76 HB3 ALA 8 3HB ALA 8 -9.170 -3.856 2.266
77 H LEU 9 H LEU 9 -7.693 -2.870 -1.189
78 HA LEU 9 HA LEU 9 -5.189 -4.007 -0.169
79 HB2 LEU 9 2HB LEU 9 -6.387 -4.041 -2.931
80 HB3 LEU 9 1HB LEU 9 -4.935 -4.900 -2.433
81 HG LEU 9 HG LEU 9 -6.483 -6.604 -2.177
82 HD11 LEU 9 1HD1 LEU 9 -6.971 -6.901 0.145
83 HD12 LEU 9 2HD1 LEU 9 -6.989 -5.161 0.429
84 HD13 LEU 9 3HD1 LEU 9 -5.468 -5.979 0.066
85 HD21 LEU 9 3HD2 LEU 9 -8.838 -5.912 -1.129
86 HD22 LEU 9 1HD2 LEU 9 -8.519 -5.743 -2.853
87 HD23 LEU 9 2HD2 LEU 9 -8.403 -4.343 -1.793
88 H HIS 10 H HIS 10 -6.323 -1.713 -2.578
89 HA HIS 10 HA HIS 10 -3.997 -0.778 -3.693
90 HB2 HIS 10 2HB HIS 10 -6.525 0.566 -2.854
91 HB3 HIS 10 1HB HIS 10 -5.159 1.589 -3.293
92 HD1 HIS 10 1HD HIS 10 -4.242 1.378 -5.757
93 HD2 HIS 10 2HD HIS 10 -7.732 -0.794 -5.024
94 HE1 HIS 10 1HE HIS 10 -5.164 0.707 -8.028
95 HE2 HIS 10 2HE HIS 10 -7.287 -0.631 -7.592
96 H HIS 11 H HIS 11 -5.344 -0.272 -0.591
97 HA HIS 11 HA HIS 11 -3.964 1.643 0.706
98 HB2 HIS 11 2HB HIS 11 -4.925 -1.101 1.380
99 HB3 HIS 11 1HB HIS 11 -3.940 -0.238 2.574
100 HD1 HIS 11 1HD HIS 11 -5.034 1.742 3.807
101 HD2 HIS 11 2HD HIS 11 -7.405 0.232 0.723
102 HE1 HIS 11 1HE HIS 11 -7.309 2.846 4.039
103 HE2 HIS 11 2HE HIS 11 -8.768 1.942 2.149
104 H LEU 12 H LEU 12 -2.941 -1.620 0.037
105 HA LEU 12 HA LEU 12 -0.357 -1.374 1.271
106 HB2 LEU 12 2HB LEU 12 -1.914 -3.488 0.495
107 HB3 LEU 12 1HB LEU 12 -0.716 -3.449 -0.797
108 HG LEU 12 HG LEU 12 0.028 -3.384 2.139
109 HD11 LEU 12 1HD1 LEU 12 -0.801 -5.520 2.103
110 HD12 LEU 12 2HD1 LEU 12 0.750 -5.858 1.333
111 HD13 LEU 12 3HD1 LEU 12 -0.693 -5.641 0.346
112 HD21 LEU 12 3HD2 LEU 12 1.549 -3.909 -0.434
113 HD22 LEU 12 1HD2 LEU 12 2.214 -4.199 1.171
114 HD23 LEU 12 2HD2 LEU 12 1.780 -2.563 0.683
115 H ALA 13 H ALA 13 -1.662 -1.281 -1.957
116 HA ALA 13 HA ALA 13 0.667 -1.150 -3.484
117 HB1 ALA 13 1HB ALA 13 -0.644 -0.348 -5.227
118 HB2 ALA 13 2HB ALA 13 -1.590 0.698 -4.170
119 HB3 ALA 13 3HB ALA 13 -1.891 -1.039 -4.190
120 H HIS 14 H HIS 14 -0.847 1.183 -1.447
121 HA HIS 14 HA HIS 14 0.706 3.452 -2.278
122 HB2 HIS 14 2HB HIS 14 -1.135 4.238 -1.278
123 HB3 HIS 14 1HB HIS 14 -1.352 2.823 -0.276
124 HD1 HIS 14 1HD HIS 14 1.346 5.561 -0.411
125 HD2 HIS 14 2HD HIS 14 -1.064 3.545 2.341
126 HE1 HIS 14 1HE HIS 14 1.966 6.459 1.884
127 HE2 HIS 14 2HE HIS 14 0.519 5.225 3.577
128 H LEU 15 H LEU 15 0.714 1.322 0.537
129 HA LEU 15 HA LEU 15 3.033 2.326 1.768
130 HB2 LEU 15 2HB LEU 15 1.766 -0.413 1.672
131 HB3 LEU 15 1HB LEU 15 3.314 -0.175 2.471
132 HG LEU 15 HG LEU 15 2.372 0.905 4.247
133 HD11 LEU 15 1HD1 LEU 15 0.267 1.981 2.362
134 HD12 LEU 15 2HD1 LEU 15 1.663 2.873 2.970
135 HD13 LEU 15 3HD1 LEU 15 0.385 2.372 4.076
136 HD21 LEU 15 3HD2 LEU 15 0.293 -0.089 4.842
137 HD22 LEU 15 1HD2 LEU 15 1.070 -1.250 3.767
138 HD23 LEU 15 2HD2 LEU 15 -0.212 -0.203 3.156
139 H ALA 16 H ALA 16 2.340 0.109 -0.750
140 HA ALA 16 HA ALA 16 4.940 -0.903 -1.201
141 HB1 ALA 16 1HB ALA 16 2.491 -1.447 -2.244
142 HB2 ALA 16 2HB ALA 16 4.003 -2.027 -2.937
143 HB3 ALA 16 3HB ALA 16 3.234 -0.578 -3.583
144 H LEU 17 H LEU 17 3.343 2.005 -2.227
145 HA LEU 17 HA LEU 17 5.105 2.760 -4.268
146 HB2 LEU 17 2HB LEU 17 3.612 4.430 -4.438
147 HB3 LEU 17 1HB LEU 17 2.873 3.912 -2.933
148 HG LEU 17 HG LEU 17 4.623 5.288 -1.707
149 HD11 LEU 17 1HD1 LEU 17 5.179 7.141 -3.785
150 HD12 LEU 17 2HD1 LEU 17 5.606 5.545 -4.401
151 HD13 LEU 17 3HD1 LEU 17 6.327 6.139 -2.904
152 HD21 LEU 17 3HD2 LEU 17 3.390 7.317 -1.959
153 HD22 LEU 17 1HD2 LEU 17 2.243 6.014 -2.266
154 HD23 LEU 17 2HD2 LEU 17 2.935 6.915 -3.614
155 H HIS 18 H HIS 18 5.154 3.526 -0.811
156 HA HIS 18 HA HIS 18 7.737 4.810 -1.192
157 HB2 HIS 18 2HB HIS 18 7.747 5.207 1.180
158 HB3 HIS 18 1HB HIS 18 6.232 5.666 0.453
159 HD1 HIS 18 1HD HIS 18 7.715 3.212 2.838
160 HD2 HIS 18 2HD HIS 18 3.965 4.247 1.319
161 HE1 HIS 18 1HE HIS 18 6.000 2.127 4.357
162 HE2 HIS 18 2HE HIS 18 3.709 2.786 3.480
163 H LEU 19 H LEU 19 6.473 1.874 0.157
164 HA LEU 19 HA LEU 19 8.853 0.713 1.099
165 HB2 LEU 19 2HB LEU 19 6.268 -0.315 0.140
166 HB3 LEU 19 1HB LEU 19 7.614 -1.411 -0.136
167 HG LEU 19 HG LEU 19 8.198 -1.409 2.191
168 HD11 LEU 19 1HD1 LEU 19 6.494 -0.026 3.687
169 HD12 LEU 19 2HD1 LEU 19 6.357 0.945 2.224
170 HD13 LEU 19 3HD1 LEU 19 7.926 0.750 3.007
171 HD21 LEU 19 3HD2 LEU 19 6.433 -2.949 1.772
172 HD22 LEU 19 1HD2 LEU 19 5.239 -1.660 1.637
173 HD23 LEU 19 2HD2 LEU 19 5.927 -2.063 3.210
174 H ALA 20 H ALA 20 7.555 1.257 -2.057
175 HA ALA 20 HA ALA 20 9.325 -0.407 -3.549
176 HB1 ALA 20 1HB ALA 20 7.358 0.566 -4.633
177 HB2 ALA 20 2HB ALA 20 8.816 1.070 -5.479
178 HB3 ALA 20 3HB ALA 20 8.003 2.186 -4.392
179 H LEU 21 H LEU 21 9.390 3.062 -3.044
180 HA LEU 21 HA LEU 21 11.950 3.592 -4.002
181 HB2 LEU 21 2HB LEU 21 10.563 4.929 -1.665
182 HB3 LEU 21 1HB LEU 21 11.862 5.619 -2.643
183 HG LEU 21 HG LEU 21 9.163 4.783 -3.759
184 HD11 LEU 21 1HD1 LEU 21 8.997 7.362 -4.018
185 HD12 LEU 21 2HD1 LEU 21 10.221 7.414 -2.749
186 HD13 LEU 21 3HD1 LEU 21 8.660 6.656 -2.438
187 HD21 LEU 21 3HD2 LEU 21 10.041 6.292 -5.649
188 HD22 LEU 21 1HD2 LEU 21 10.810 4.716 -5.483
189 HD23 LEU 21 2HD2 LEU 21 11.612 6.160 -4.869
190 H ALA 22 H ALA 22 10.832 2.767 -0.788
191 HA ALA 22 HA ALA 22 13.251 2.841 0.600
192 HB1 ALA 22 1HB ALA 22 11.034 0.837 1.068
193 HB2 ALA 22 2HB ALA 22 10.973 2.512 1.617
194 HB3 ALA 22 3HB ALA 22 12.211 1.425 2.247
195 H LEU 23 H LEU 23 11.775 0.190 -1.213
196 HA LEU 23 HA LEU 23 13.885 -1.667 -0.681
197 HB2 LEU 23 2HB LEU 23 11.463 -1.608 -2.385
198 HB3 LEU 23 1HB LEU 23 12.772 -2.627 -2.977
199 HG LEU 23 HG LEU 23 11.361 -3.994 -1.571
200 HD11 LEU 23 1HD1 LEU 23 13.014 -4.935 -0.272
201 HD12 LEU 23 2HD1 LEU 23 13.531 -3.386 0.387
202 HD13 LEU 23 3HD1 LEU 23 14.019 -3.858 -1.242
203 HD21 LEU 23 3HD2 LEU 23 11.583 -1.654 0.314
204 HD22 LEU 23 1HD2 LEU 23 11.179 -3.261 0.921
205 HD23 LEU 23 2HD2 LEU 23 10.131 -2.475 -0.262
206 H LYS 24 H LYS 24 13.084 0.411 -3.402
207 HA LYS 24 HA LYS 24 15.361 -0.356 -4.965
208 HB2 LYS 24 2HB LYS 24 13.128 0.728 -5.741
209 HB3 LYS 24 1HB LYS 24 13.907 2.252 -5.310
210 HG2 LYS 24 2HG LYS 24 15.845 0.806 -6.753
211 HG3 LYS 24 1HG LYS 24 14.341 0.566 -7.631
212 HD2 LYS 24 2HD LYS 24 15.101 2.558 -8.579
213 HD3 LYS 24 1HD LYS 24 14.053 3.164 -7.302
214 HE2 LYS 24 2HE LYS 24 16.373 4.238 -7.480
215 HE3 LYS 24 1HE LYS 24 15.896 3.667 -5.883
216 HZ1 LYS 24 3HZ LYS 24 18.198 3.045 -6.980
217 HZ2 LYS 24 1HZ LYS 24 17.279 1.770 -7.612
218 HZ3 LYS 24 2HZ LYS 24 17.385 1.986 -5.927
219 H LYS 25 H LYS 25 14.867 1.774 -2.351
220 HA LYS 25 HA LYS 25 16.180 3.271 -1.262
221 HB2 LYS 25 2HB LYS 25 17.787 1.514 -1.009
222 HB3 LYS 25 1HB LYS 25 18.302 1.643 -2.686
223 HG2 LYS 25 2HG LYS 25 19.854 2.663 -0.927
224 HG3 LYS 25 1HG LYS 25 19.444 3.687 -2.290
225 HD2 LYS 25 2HD LYS 25 17.425 4.325 -0.531
226 HD3 LYS 25 1HD LYS 25 18.750 3.981 0.575
227 HE2 LYS 25 2HE LYS 25 18.669 6.375 -0.110
228 HE3 LYS 25 1HE LYS 25 20.174 5.583 -0.568
229 HZ1 LYS 25 3HZ LYS 25 19.697 6.497 -2.550
230 HZ2 LYS 25 1HZ LYS 25 18.030 6.612 -2.237
231 HZ3 LYS 25 2HZ LYS 25 18.707 5.132 -2.745
232 H ALA 26 H ALA 26 15.040 4.796 -2.697
233 HA ALA 26 HA ALA 26 16.603 5.915 -4.896
234 HB1 ALA 26 1HB ALA 26 14.081 5.593 -4.971
235 HB2 ALA 26 2HB ALA 26 14.670 7.188 -5.429
236 HB3 ALA 26 3HB ALA 26 13.971 6.940 -3.831
Start of MODEL 4
1 H1 LYS 1 1HT LYS 1 -26.166 -7.894 3.405
2 H2 LYS 1 2HT LYS 1 -26.186 -6.584 2.330
3 H3 LYS 1 3HT LYS 1 -25.650 -6.370 3.922
4 HA LYS 1 HA LYS 1 -23.949 -8.221 3.245
5 HB2 LYS 1 2HB LYS 1 -23.221 -7.541 0.841
6 HB3 LYS 1 1HB LYS 1 -24.578 -8.655 1.016
7 HG2 LYS 1 2HG LYS 1 -26.156 -7.038 0.441
8 HG3 LYS 1 1HG LYS 1 -25.110 -5.700 0.913
9 HD2 LYS 1 2HD LYS 1 -23.630 -6.192 -1.017
10 HD3 LYS 1 1HD LYS 1 -24.715 -7.493 -1.501
11 HE2 LYS 1 2HE LYS 1 -24.912 -4.734 -2.167
12 HE3 LYS 1 1HE LYS 1 -26.031 -6.026 -2.585
13 HZ1 LYS 1 2HZ LYS 1 -27.160 -5.694 -0.482
14 HZ2 LYS 1 3HZ LYS 1 -27.132 -4.252 -1.370
15 HZ3 LYS 1 1HZ LYS 1 -26.072 -4.456 -0.061
16 H LYS 2 H LYS 2 -22.274 -7.330 4.247
17 HA LYS 2 HA LYS 2 -21.646 -4.483 3.724
18 HB2 LYS 2 2HB LYS 2 -21.120 -5.890 6.348
19 HB3 LYS 2 1HB LYS 2 -21.061 -4.159 6.006
20 HG2 LYS 2 2HG LYS 2 -23.549 -4.329 5.434
21 HG3 LYS 2 1HG LYS 2 -23.505 -5.936 6.150
22 HD2 LYS 2 2HD LYS 2 -24.092 -4.707 8.022
23 HD3 LYS 2 1HD LYS 2 -22.337 -4.636 8.160
24 HE2 LYS 2 2HE LYS 2 -23.486 -2.408 8.423
25 HE3 LYS 2 1HE LYS 2 -22.268 -2.450 7.149
26 HZ1 LYS 2 3HZ LYS 2 -24.973 -3.167 6.359
27 HZ2 LYS 2 1HZ LYS 2 -23.808 -2.246 5.541
28 HZ3 LYS 2 2HZ LYS 2 -24.731 -1.543 6.783
29 H ALA 3 H ALA 3 -19.282 -4.130 4.739
30 HA ALA 3 HA ALA 3 -17.055 -4.401 4.231
31 HB1 ALA 3 1HB ALA 3 -17.280 -5.948 6.122
32 HB2 ALA 3 2HB ALA 3 -16.112 -6.555 4.952
33 HB3 ALA 3 3HB ALA 3 -17.734 -7.249 5.013
34 H LEU 4 H LEU 4 -17.693 -3.993 1.941
35 HA LEU 4 HA LEU 4 -16.567 -6.089 0.268
36 HB2 LEU 4 2HB LEU 4 -18.414 -6.279 -1.246
37 HB3 LEU 4 1HB LEU 4 -19.047 -6.560 0.373
38 HG LEU 4 HG LEU 4 -19.367 -3.861 0.207
39 HD11 LEU 4 1HD1 LEU 4 -20.515 -3.803 -2.225
40 HD12 LEU 4 2HD1 LEU 4 -19.218 -4.944 -2.573
41 HD13 LEU 4 3HD1 LEU 4 -18.839 -3.333 -1.967
42 HD21 LEU 4 3HD2 LEU 4 -21.562 -5.324 -1.112
43 HD22 LEU 4 1HD2 LEU 4 -21.560 -4.413 0.394
44 HD23 LEU 4 2HD2 LEU 4 -20.993 -6.082 0.379
45 H LEU 5 H LEU 5 -17.777 -2.841 0.700
46 HA LEU 5 HA LEU 5 -16.807 -1.865 -1.844
47 HB2 LEU 5 2HB LEU 5 -18.624 -0.959 0.073
48 HB3 LEU 5 1HB LEU 5 -17.278 0.170 0.194
49 HG LEU 5 HG LEU 5 -17.381 0.218 -2.410
50 HD11 LEU 5 1HD1 LEU 5 -19.991 -0.027 -2.944
51 HD12 LEU 5 2HD1 LEU 5 -19.897 -1.211 -1.637
52 HD13 LEU 5 3HD1 LEU 5 -18.890 -1.398 -3.075
53 HD21 LEU 5 3HD2 LEU 5 -19.124 1.997 -2.300
54 HD22 LEU 5 1HD2 LEU 5 -17.940 2.136 -1.001
55 HD23 LEU 5 2HD2 LEU 5 -19.541 1.465 -0.673
56 H ALA 6 H ALA 6 -15.631 0.509 -1.204
57 HA ALA 6 HA ALA 6 -13.644 1.511 -0.659
58 HB1 ALA 6 1HB ALA 6 -12.784 1.171 1.439
59 HB2 ALA 6 2HB ALA 6 -12.936 -0.584 1.334
60 HB3 ALA 6 3HB ALA 6 -14.360 0.410 1.654
61 H LEU 7 H LEU 7 -11.194 0.944 -0.345
62 HA LEU 7 HA LEU 7 -10.513 -1.356 -2.078
63 HB2 LEU 7 2HB LEU 7 -10.230 1.410 -2.696
64 HB3 LEU 7 1HB LEU 7 -8.613 0.774 -2.420
65 HG LEU 7 HG LEU 7 -9.236 0.521 -4.784
66 HD11 LEU 7 1HD1 LEU 7 -8.074 -1.372 -3.265
67 HD12 LEU 7 2HD1 LEU 7 -8.368 -1.592 -4.989
68 HD13 LEU 7 3HD1 LEU 7 -9.481 -2.283 -3.810
69 HD21 LEU 7 3HD2 LEU 7 -11.738 0.359 -4.196
70 HD22 LEU 7 1HD2 LEU 7 -11.438 -1.349 -3.894
71 HD23 LEU 7 2HD2 LEU 7 -11.158 -0.677 -5.498
72 H ALA 8 H ALA 8 -9.979 -2.535 -0.211
73 HA ALA 8 HA ALA 8 -8.134 -1.588 1.754
74 HB1 ALA 8 1HB ALA 8 -9.595 -3.330 2.411
75 HB2 ALA 8 2HB ALA 8 -7.994 -4.069 2.305
76 HB3 ALA 8 3HB ALA 8 -9.167 -4.313 1.012
77 H LEU 9 H LEU 9 -7.810 -2.781 -1.355
78 HA LEU 9 HA LEU 9 -5.228 -4.009 -1.143
79 HB2 LEU 9 2HB LEU 9 -7.196 -3.427 -3.188
80 HB3 LEU 9 1HB LEU 9 -5.539 -3.221 -3.756
81 HG LEU 9 HG LEU 9 -6.557 -5.683 -2.311
82 HD11 LEU 9 1HD1 LEU 9 -6.509 -6.788 -4.480
83 HD12 LEU 9 2HD1 LEU 9 -5.942 -5.309 -5.256
84 HD13 LEU 9 3HD1 LEU 9 -7.568 -5.382 -4.574
85 HD21 LEU 9 3HD2 LEU 9 -4.351 -6.097 -2.065
86 HD22 LEU 9 1HD2 LEU 9 -3.919 -4.700 -3.051
87 HD23 LEU 9 2HD2 LEU 9 -4.262 -6.250 -3.820
88 H HIS 10 H HIS 10 -6.212 -1.145 -2.957
89 HA HIS 10 HA HIS 10 -3.882 0.007 -3.677
90 HB2 HIS 10 2HB HIS 10 -6.427 1.178 -2.660
91 HB3 HIS 10 1HB HIS 10 -5.038 2.251 -2.783
92 HD1 HIS 10 1HD HIS 10 -5.660 3.559 -4.849
93 HD2 HIS 10 2HD HIS 10 -5.897 -0.567 -5.446
94 HE1 HIS 10 1HE HIS 10 -6.037 3.214 -7.333
95 HE2 HIS 10 2HE HIS 10 -6.209 0.703 -7.714
96 H HIS 11 H HIS 11 -5.350 0.070 -0.564
97 HA HIS 11 HA HIS 11 -3.867 1.653 1.052
98 HB2 HIS 11 2HB HIS 11 -5.373 -0.851 1.237
99 HB3 HIS 11 1HB HIS 11 -4.149 -0.676 2.508
100 HD1 HIS 11 1HD HIS 11 -4.785 0.762 4.455
101 HD2 HIS 11 2HD HIS 11 -7.107 1.587 1.082
102 HE1 HIS 11 1HE HIS 11 -6.520 2.468 5.170
103 HE2 HIS 11 2HE HIS 11 -7.970 2.953 3.138
104 H LEU 12 H LEU 12 -3.124 -1.591 0.005
105 HA LEU 12 HA LEU 12 -0.575 -1.708 1.348
106 HB2 LEU 12 2HB LEU 12 -2.174 -3.491 -0.417
107 HB3 LEU 12 1HB LEU 12 -0.430 -3.729 -0.433
108 HG LEU 12 HG LEU 12 -1.487 -5.160 1.267
109 HD11 LEU 12 1HD1 LEU 12 -0.171 -3.123 2.971
110 HD12 LEU 12 2HD1 LEU 12 0.755 -3.667 1.573
111 HD13 LEU 12 3HD1 LEU 12 0.198 -4.836 2.769
112 HD21 LEU 12 3HD2 LEU 12 -2.470 -3.991 3.293
113 HD22 LEU 12 1HD2 LEU 12 -3.448 -3.885 1.835
114 HD23 LEU 12 2HD2 LEU 12 -2.477 -2.503 2.350
115 H ALA 13 H ALA 13 -1.716 -1.341 -1.944
116 HA ALA 13 HA ALA 13 0.728 -1.249 -3.273
117 HB1 ALA 13 1HB ALA 13 -0.423 -0.149 -5.080
118 HB2 ALA 13 2HB ALA 13 -1.693 0.411 -3.990
119 HB3 ALA 13 3HB ALA 13 -1.538 -1.309 -4.362
120 H HIS 14 H HIS 14 -0.950 1.203 -1.473
121 HA HIS 14 HA HIS 14 0.691 3.397 -2.268
122 HB2 HIS 14 2HB HIS 14 -0.896 4.472 -1.179
123 HB3 HIS 14 1HB HIS 14 -1.578 2.968 -0.606
124 HD1 HIS 14 1HD HIS 14 1.404 5.190 0.353
125 HD2 HIS 14 2HD HIS 14 -1.601 2.914 2.146
126 HE1 HIS 14 1HE HIS 14 1.710 5.434 2.858
127 HE2 HIS 14 2HE HIS 14 -0.117 4.060 3.963
128 H LEU 15 H LEU 15 0.549 1.472 0.653
129 HA LEU 15 HA LEU 15 2.854 2.481 1.910
130 HB2 LEU 15 2HB LEU 15 1.313 1.097 3.154
131 HB3 LEU 15 1HB LEU 15 1.412 -0.187 1.952
132 HG LEU 15 HG LEU 15 3.918 -0.316 2.561
133 HD11 LEU 15 1HD1 LEU 15 3.044 1.835 4.229
134 HD12 LEU 15 2HD1 LEU 15 4.664 1.158 4.066
135 HD13 LEU 15 3HD1 LEU 15 3.548 0.495 5.253
136 HD21 LEU 15 3HD2 LEU 15 2.081 -1.038 4.841
137 HD22 LEU 15 1HD2 LEU 15 3.466 -1.936 4.222
138 HD23 LEU 15 2HD2 LEU 15 1.970 -1.875 3.291
139 H ALA 16 H ALA 16 2.171 0.022 -0.342
140 HA ALA 16 HA ALA 16 4.798 -1.074 -0.535
141 HB1 ALA 16 1HB ALA 16 3.998 -2.167 -2.571
142 HB2 ALA 16 2HB ALA 16 2.577 -1.125 -2.582
143 HB3 ALA 16 3HB ALA 16 2.797 -2.302 -1.288
144 H LEU 17 H LEU 17 3.143 1.548 -2.096
145 HA LEU 17 HA LEU 17 4.838 1.956 -4.263
146 HB2 LEU 17 2HB LEU 17 3.130 3.391 -4.578
147 HB3 LEU 17 1HB LEU 17 2.779 3.483 -2.863
148 HG LEU 17 HG LEU 17 5.261 4.881 -3.660
149 HD11 LEU 17 1HD1 LEU 17 3.970 5.397 -5.642
150 HD12 LEU 17 2HD1 LEU 17 3.985 6.819 -4.602
151 HD13 LEU 17 3HD1 LEU 17 2.554 5.791 -4.667
152 HD21 LEU 17 3HD2 LEU 17 2.813 5.924 -2.219
153 HD22 LEU 17 1HD2 LEU 17 4.467 6.521 -2.109
154 HD23 LEU 17 2HD2 LEU 17 4.045 4.963 -1.407
155 H HIS 18 H HIS 18 5.025 3.371 -1.004
156 HA HIS 18 HA HIS 18 7.569 4.596 -1.725
157 HB2 HIS 18 2HB HIS 18 7.647 5.430 0.496
158 HB3 HIS 18 1HB HIS 18 6.007 5.571 -0.097
159 HD1 HIS 18 1HD HIS 18 8.078 3.592 2.322
160 HD2 HIS 18 2HD HIS 18 4.084 4.066 1.203
161 HE1 HIS 18 1HE HIS 18 6.693 2.491 4.140
162 HE2 HIS 18 2HE HIS 18 4.252 2.760 3.464
163 H LEU 19 H LEU 19 6.427 1.869 0.100
164 HA LEU 19 HA LEU 19 8.824 0.900 1.160
165 HB2 LEU 19 2HB LEU 19 6.239 -0.209 0.579
166 HB3 LEU 19 1HB LEU 19 7.463 -1.325 -0.004
167 HG LEU 19 HG LEU 19 7.064 -1.928 2.251
168 HD11 LEU 19 1HD1 LEU 19 9.223 -1.900 3.048
169 HD12 LEU 19 2HD1 LEU 19 9.416 -0.171 2.765
170 HD13 LEU 19 3HD1 LEU 19 9.549 -1.305 1.420
171 HD21 LEU 19 3HD2 LEU 19 6.223 0.670 2.568
172 HD22 LEU 19 1HD2 LEU 19 7.722 0.660 3.494
173 HD23 LEU 19 2HD2 LEU 19 6.435 -0.482 3.883
174 H ALA 20 H ALA 20 7.500 0.961 -2.023
175 HA ALA 20 HA ALA 20 9.352 -0.746 -3.345
176 HB1 ALA 20 1HB ALA 20 8.251 1.692 -4.696
177 HB2 ALA 20 2HB ALA 20 7.155 0.390 -4.243
178 HB3 ALA 20 3HB ALA 20 8.490 0.075 -5.348
179 H LEU 21 H LEU 21 9.209 2.754 -3.132
180 HA LEU 21 HA LEU 21 11.691 3.371 -4.229
181 HB2 LEU 21 2HB LEU 21 9.882 4.700 -2.256
182 HB3 LEU 21 1HB LEU 21 11.523 5.318 -2.410
183 HG LEU 21 HG LEU 21 11.212 5.666 -4.810
184 HD11 LEU 21 1HD1 LEU 21 8.987 5.252 -5.838
185 HD12 LEU 21 2HD1 LEU 21 8.444 4.521 -4.333
186 HD13 LEU 21 3HD1 LEU 21 9.731 3.763 -5.267
187 HD21 LEU 21 3HD2 LEU 21 9.438 7.402 -4.719
188 HD22 LEU 21 1HD2 LEU 21 10.478 7.475 -3.296
189 HD23 LEU 21 2HD2 LEU 21 8.881 6.734 -3.183
190 H ALA 22 H ALA 22 10.779 2.553 -0.945
191 HA ALA 22 HA ALA 22 13.192 2.908 0.374
192 HB1 ALA 22 1HB ALA 22 11.724 0.472 1.147
193 HB2 ALA 22 2HB ALA 22 10.753 1.943 1.098
194 HB3 ALA 22 3HB ALA 22 12.187 1.865 2.119
195 H LEU 23 H LEU 23 12.098 0.146 -1.524
196 HA LEU 23 HA LEU 23 14.270 -1.573 -0.963
197 HB2 LEU 23 2HB LEU 23 12.170 -1.419 -3.054
198 HB3 LEU 23 1HB LEU 23 13.628 -2.303 -3.497
199 HG LEU 23 HG LEU 23 13.370 -3.541 -1.265
200 HD11 LEU 23 1HD1 LEU 23 10.560 -2.445 -1.508
201 HD12 LEU 23 2HD1 LEU 23 11.740 -1.887 -0.325
202 HD13 LEU 23 3HD1 LEU 23 11.156 -3.550 -0.270
203 HD21 LEU 23 3HD2 LEU 23 12.676 -4.279 -3.676
204 HD22 LEU 23 1HD2 LEU 23 11.032 -4.033 -3.091
205 HD23 LEU 23 2HD2 LEU 23 12.085 -5.203 -2.297
206 H LYS 24 H LYS 24 13.702 0.707 -3.567
207 HA LYS 24 HA LYS 24 16.434 0.448 -4.563
208 HB2 LYS 24 2HB LYS 24 14.059 2.098 -5.448
209 HB3 LYS 24 1HB LYS 24 15.651 2.216 -6.198
210 HG2 LYS 24 2HG LYS 24 15.227 0.389 -7.440
211 HG3 LYS 24 1HG LYS 24 14.978 -0.563 -5.978
212 HD2 LYS 24 2HD LYS 24 12.918 -0.754 -7.130
213 HD3 LYS 24 1HD LYS 24 12.611 0.495 -5.925
214 HE2 LYS 24 2HE LYS 24 11.821 1.004 -8.301
215 HE3 LYS 24 1HE LYS 24 12.816 2.240 -7.532
216 HZ1 LYS 24 3HZ LYS 24 13.294 1.242 -9.945
217 HZ2 LYS 24 1HZ LYS 24 14.251 0.203 -9.014
218 HZ3 LYS 24 2HZ LYS 24 14.509 1.878 -8.942
219 H LYS 25 H LYS 25 14.746 3.484 -4.353
220 HA LYS 25 HA LYS 25 16.698 4.476 -2.384
221 HB2 LYS 25 2HB LYS 25 16.963 6.555 -3.662
222 HB3 LYS 25 1HB LYS 25 17.463 5.170 -4.632
223 HG2 LYS 25 2HG LYS 25 15.922 5.647 -6.208
224 HG3 LYS 25 1HG LYS 25 14.631 5.649 -5.014
225 HD2 LYS 25 2HD LYS 25 16.496 7.992 -5.493
226 HD3 LYS 25 1HD LYS 25 14.908 7.841 -6.242
227 HE2 LYS 25 2HE LYS 25 15.445 7.919 -3.255
228 HE3 LYS 25 1HE LYS 25 14.807 9.255 -4.210
229 HZ1 LYS 25 3HZ LYS 25 12.890 7.885 -4.771
230 HZ2 LYS 25 1HZ LYS 25 13.047 8.036 -3.079
231 HZ3 LYS 25 2HZ LYS 25 13.522 6.597 -3.855
232 H ALA 26 H ALA 26 15.821 5.764 -0.841
233 HA ALA 26 HA ALA 26 12.943 6.008 -0.778
234 HB1 ALA 26 1HB ALA 26 15.148 6.260 1.133
235 HB2 ALA 26 2HB ALA 26 13.478 5.764 1.398
236 HB3 ALA 26 3HB ALA 26 13.896 7.478 1.358
Start of MODEL 5
1 H1 LYS 1 1HT LYS 1 -22.629 -2.651 -9.120
2 H2 LYS 1 2HT LYS 1 -21.175 -3.087 -9.876
3 H3 LYS 1 3HT LYS 1 -22.439 -2.411 -10.785
4 HA LYS 1 HA LYS 1 -21.829 -0.339 -10.313
5 HB2 LYS 1 2HB LYS 1 -21.089 -1.083 -7.477
6 HB3 LYS 1 1HB LYS 1 -21.628 0.479 -8.094
7 HG2 LYS 1 2HG LYS 1 -23.743 -1.161 -8.767
8 HG3 LYS 1 1HG LYS 1 -23.220 -1.842 -7.225
9 HD2 LYS 1 2HD LYS 1 -23.157 0.712 -6.497
10 HD3 LYS 1 1HD LYS 1 -24.294 0.887 -7.832
11 HE2 LYS 1 2HE LYS 1 -25.405 0.466 -5.613
12 HE3 LYS 1 1HE LYS 1 -25.807 -0.732 -6.842
13 HZ1 LYS 1 2HZ LYS 1 -24.467 -2.315 -5.860
14 HZ2 LYS 1 3HZ LYS 1 -25.111 -1.523 -4.508
15 HZ3 LYS 1 1HZ LYS 1 -23.532 -1.176 -5.016
16 H LYS 2 H LYS 2 -19.721 0.800 -9.144
17 HA LYS 2 HA LYS 2 -17.459 -0.564 -10.389
18 HB2 LYS 2 2HB LYS 2 -18.198 2.098 -10.231
19 HB3 LYS 2 1HB LYS 2 -16.924 1.977 -9.017
20 HG2 LYS 2 2HG LYS 2 -15.400 1.011 -10.660
21 HG3 LYS 2 1HG LYS 2 -16.675 0.992 -11.874
22 HD2 LYS 2 2HD LYS 2 -16.521 3.241 -12.271
23 HD3 LYS 2 1HD LYS 2 -16.157 3.618 -10.583
24 HE2 LYS 2 2HE LYS 2 -14.143 2.163 -12.296
25 HE3 LYS 2 1HE LYS 2 -14.265 3.921 -12.352
26 HZ1 LYS 2 3HZ LYS 2 -12.662 3.376 -10.723
27 HZ2 LYS 2 1HZ LYS 2 -13.668 2.225 -9.997
28 HZ3 LYS 2 2HZ LYS 2 -14.048 3.872 -9.881
29 H ALA 3 H ALA 3 -15.372 0.362 -8.848
30 HA ALA 3 HA ALA 3 -15.691 -1.250 -6.402
31 HB1 ALA 3 1HB ALA 3 -13.825 -1.865 -7.904
32 HB2 ALA 3 2HB ALA 3 -13.227 -1.284 -6.351
33 HB3 ALA 3 3HB ALA 3 -13.179 -0.232 -7.765
34 H LEU 4 H LEU 4 -13.727 -0.193 -4.824
35 HA LEU 4 HA LEU 4 -14.948 2.323 -3.987
36 HB2 LEU 4 2HB LEU 4 -13.011 0.377 -2.771
37 HB3 LEU 4 1HB LEU 4 -13.051 2.038 -2.172
38 HG LEU 4 HG LEU 4 -15.436 1.847 -1.695
39 HD11 LEU 4 1HD1 LEU 4 -16.324 0.446 -3.350
40 HD12 LEU 4 2HD1 LEU 4 -16.394 -0.565 -1.910
41 HD13 LEU 4 3HD1 LEU 4 -15.104 -0.801 -3.085
42 HD21 LEU 4 3HD2 LEU 4 -14.524 -0.708 -0.522
43 HD22 LEU 4 1HD2 LEU 4 -15.083 0.758 0.278
44 HD23 LEU 4 2HD2 LEU 4 -13.416 0.646 -0.296
45 H LEU 5 H LEU 5 -13.324 4.060 -3.221
46 HA LEU 5 HA LEU 5 -11.896 5.002 -5.467
47 HB2 LEU 5 2HB LEU 5 -12.478 5.953 -2.839
48 HB3 LEU 5 1HB LEU 5 -10.737 6.096 -3.089
49 HG LEU 5 HG LEU 5 -11.280 7.174 -5.342
50 HD11 LEU 5 1HD1 LEU 5 -13.934 7.969 -4.327
51 HD12 LEU 5 2HD1 LEU 5 -13.828 6.284 -4.822
52 HD13 LEU 5 3HD1 LEU 5 -13.444 7.567 -5.970
53 HD21 LEU 5 3HD2 LEU 5 -12.453 8.732 -3.043
54 HD22 LEU 5 1HD2 LEU 5 -11.461 9.325 -4.370
55 HD23 LEU 5 2HD2 LEU 5 -10.732 8.356 -3.090
56 H ALA 6 H ALA 6 -9.720 4.859 -6.022
57 HA ALA 6 HA ALA 6 -7.678 3.797 -6.205
58 HB1 ALA 6 1HB ALA 6 -6.784 4.827 -4.326
59 HB2 ALA 6 2HB ALA 6 -6.714 3.143 -3.811
60 HB3 ALA 6 3HB ALA 6 -8.025 4.181 -3.252
61 H LEU 7 H LEU 7 -8.329 2.022 -3.285
62 HA LEU 7 HA LEU 7 -9.853 -0.101 -4.002
63 HB2 LEU 7 2HB LEU 7 -7.634 -0.193 -5.707
64 HB3 LEU 7 1HB LEU 7 -7.271 -1.377 -4.462
65 HG LEU 7 HG LEU 7 -8.485 -2.472 -6.261
66 HD11 LEU 7 1HD1 LEU 7 -10.620 -2.164 -4.186
67 HD12 LEU 7 2HD1 LEU 7 -9.059 -2.817 -3.698
68 HD13 LEU 7 3HD1 LEU 7 -9.997 -3.623 -4.952
69 HD21 LEU 7 3HD2 LEU 7 -10.583 -0.330 -5.779
70 HD22 LEU 7 1HD2 LEU 7 -10.826 -1.757 -6.786
71 HD23 LEU 7 2HD2 LEU 7 -9.621 -0.552 -7.238
72 H ALA 8 H ALA 8 -10.006 -1.550 -2.333
73 HA ALA 8 HA ALA 8 -8.967 -0.965 0.166
74 HB1 ALA 8 1HB ALA 8 -10.068 -3.454 -1.079
75 HB2 ALA 8 2HB ALA 8 -10.712 -2.491 0.247
76 HB3 ALA 8 3HB ALA 8 -9.336 -3.554 0.519
77 H LEU 9 H LEU 9 -7.530 -2.624 -2.480
78 HA LEU 9 HA LEU 9 -5.360 -3.790 -0.963
79 HB2 LEU 9 2HB LEU 9 -5.306 -3.350 -3.909
80 HB3 LEU 9 1HB LEU 9 -4.600 -4.663 -2.973
81 HG LEU 9 HG LEU 9 -7.551 -4.209 -3.509
82 HD11 LEU 9 1HD1 LEU 9 -5.688 -6.460 -4.330
83 HD12 LEU 9 2HD1 LEU 9 -6.242 -5.166 -5.394
84 HD13 LEU 9 3HD1 LEU 9 -7.399 -6.320 -4.737
85 HD21 LEU 9 3HD2 LEU 9 -7.336 -5.088 -1.270
86 HD22 LEU 9 1HD2 LEU 9 -6.099 -6.235 -1.787
87 HD23 LEU 9 2HD2 LEU 9 -7.769 -6.438 -2.316
88 H HIS 10 H HIS 10 -5.737 -1.257 -3.367
89 HA HIS 10 HA HIS 10 -3.299 -0.196 -3.768
90 HB2 HIS 10 2HB HIS 10 -5.933 1.084 -3.245
91 HB3 HIS 10 1HB HIS 10 -4.517 2.121 -3.229
92 HD1 HIS 10 1HD HIS 10 -4.411 3.226 -5.447
93 HD2 HIS 10 2HD HIS 10 -5.421 -0.807 -5.789
94 HE1 HIS 10 1HE HIS 10 -4.539 2.729 -7.929
95 HE2 HIS 10 2HE HIS 10 -5.170 0.270 -8.161
96 H HIS 11 H HIS 11 -5.241 0.077 -0.936
97 HA HIS 11 HA HIS 11 -4.065 1.739 0.812
98 HB2 HIS 11 2HB HIS 11 -5.331 -0.930 0.938
99 HB3 HIS 11 1HB HIS 11 -4.407 -0.466 2.370
100 HD1 HIS 11 1HD HIS 11 -5.321 1.419 3.850
101 HD2 HIS 11 2HD HIS 11 -7.556 0.860 0.367
102 HE1 HIS 11 1HE HIS 11 -7.445 2.781 4.122
103 HE2 HIS 11 2HE HIS 11 -8.810 2.457 2.005
104 H LEU 12 H LEU 12 -3.057 -1.514 0.080
105 HA LEU 12 HA LEU 12 -0.620 -1.291 1.655
106 HB2 LEU 12 2HB LEU 12 -1.899 -3.475 0.023
107 HB3 LEU 12 1HB LEU 12 -0.223 -3.619 0.544
108 HG LEU 12 HG LEU 12 -1.719 -4.697 2.169
109 HD11 LEU 12 1HD1 LEU 12 -0.861 -2.150 3.511
110 HD12 LEU 12 2HD1 LEU 12 0.354 -3.244 2.842
111 HD13 LEU 12 3HD1 LEU 12 -0.753 -3.804 4.095
112 HD21 LEU 12 3HD2 LEU 12 -3.563 -3.678 3.128
113 HD22 LEU 12 1HD2 LEU 12 -3.587 -2.920 1.538
114 HD23 LEU 12 2HD2 LEU 12 -2.910 -2.052 2.919
115 H ALA 13 H ALA 13 -1.568 -1.611 -1.709
116 HA ALA 13 HA ALA 13 0.932 -1.636 -2.931
117 HB1 ALA 13 1HB ALA 13 -0.127 -0.927 -4.910
118 HB2 ALA 13 2HB ALA 13 -1.311 0.043 -4.038
119 HB3 ALA 13 3HB ALA 13 -1.427 -1.718 -4.022
120 H HIS 14 H HIS 14 -0.830 0.862 -1.364
121 HA HIS 14 HA HIS 14 0.697 3.107 -2.225
122 HB2 HIS 14 2HB HIS 14 -1.357 3.683 -1.381
123 HB3 HIS 14 1HB HIS 14 -1.292 2.513 -0.085
124 HD1 HIS 14 1HD HIS 14 0.777 5.593 -1.062
125 HD2 HIS 14 2HD HIS 14 -0.880 3.758 2.303
126 HE1 HIS 14 1HE HIS 14 1.330 7.086 0.917
127 HE2 HIS 14 2HE HIS 14 0.349 5.968 2.983
128 H LEU 15 H LEU 15 0.612 1.254 0.786
129 HA LEU 15 HA LEU 15 2.900 2.428 1.965
130 HB2 LEU 15 2HB LEU 15 1.557 -0.263 2.197
131 HB3 LEU 15 1HB LEU 15 3.106 0.007 2.980
132 HG LEU 15 HG LEU 15 2.136 1.123 4.670
133 HD11 LEU 15 1HD1 LEU 15 0.733 2.665 2.498
134 HD12 LEU 15 2HD1 LEU 15 2.027 3.216 3.556
135 HD13 LEU 15 3HD1 LEU 15 0.408 2.962 4.202
136 HD21 LEU 15 3HD2 LEU 15 0.458 -0.608 4.466
137 HD22 LEU 15 1HD2 LEU 15 -0.380 0.299 3.206
138 HD23 LEU 15 2HD2 LEU 15 -0.357 0.904 4.862
139 H ALA 16 H ALA 16 2.281 -0.055 -0.292
140 HA ALA 16 HA ALA 16 4.923 -1.086 -0.528
141 HB1 ALA 16 1HB ALA 16 3.042 -1.118 -2.850
142 HB2 ALA 16 2HB ALA 16 2.621 -2.025 -1.398
143 HB3 ALA 16 3HB ALA 16 4.113 -2.387 -2.261
144 H LEU 17 H LEU 17 3.232 1.585 -1.952
145 HA LEU 17 HA LEU 17 4.925 2.121 -4.119
146 HB2 LEU 17 2HB LEU 17 3.210 3.545 -4.410
147 HB3 LEU 17 1HB LEU 17 2.779 3.503 -2.716
148 HG LEU 17 HG LEU 17 5.240 5.043 -3.280
149 HD11 LEU 17 1HD1 LEU 17 3.928 5.555 -5.306
150 HD12 LEU 17 2HD1 LEU 17 4.071 6.954 -4.245
151 HD13 LEU 17 3HD1 LEU 17 2.567 6.034 -4.291
152 HD21 LEU 17 3HD2 LEU 17 2.654 5.807 -1.893
153 HD22 LEU 17 1HD2 LEU 17 4.223 6.587 -1.710
154 HD23 LEU 17 2HD2 LEU 17 3.970 4.959 -1.091
155 H HIS 18 H HIS 18 5.011 3.448 -0.817
156 HA HIS 18 HA HIS 18 7.512 4.776 -1.420
157 HB2 HIS 18 2HB HIS 18 7.557 5.442 0.863
158 HB3 HIS 18 1HB HIS 18 5.906 5.556 0.293
159 HD1 HIS 18 1HD HIS 18 8.098 3.545 2.568
160 HD2 HIS 18 2HD HIS 18 4.088 3.807 1.440
161 HE1 HIS 18 1HE HIS 18 6.798 2.131 4.227
162 HE2 HIS 18 2HE HIS 18 4.340 2.302 3.578
163 H LEU 19 H LEU 19 6.460 1.892 0.207
164 HA LEU 19 HA LEU 19 8.871 0.905 1.196
165 HB2 LEU 19 2HB LEU 19 6.312 -0.188 0.583
166 HB3 LEU 19 1HB LEU 19 7.508 -1.222 -0.181
167 HG LEU 19 HG LEU 19 7.230 -2.098 1.988
168 HD11 LEU 19 1HD1 LEU 19 9.544 -0.380 2.690
169 HD12 LEU 19 2HD1 LEU 19 9.664 -1.251 1.161
170 HD13 LEU 19 3HD1 LEU 19 9.413 -2.136 2.663
171 HD21 LEU 19 3HD2 LEU 19 7.016 -0.830 3.973
172 HD22 LEU 19 1HD2 LEU 19 6.096 0.091 2.781
173 HD23 LEU 19 2HD2 LEU 19 7.725 0.602 3.227
174 H ALA 20 H ALA 20 7.556 1.196 -1.965
175 HA ALA 20 HA ALA 20 9.416 -0.376 -3.428
176 HB1 ALA 20 1HB ALA 20 8.427 2.090 -4.732
177 HB2 ALA 20 2HB ALA 20 7.182 0.991 -4.139
178 HB3 ALA 20 3HB ALA 20 8.382 0.420 -5.295
179 H LEU 21 H LEU 21 9.249 3.123 -3.016
180 HA LEU 21 HA LEU 21 11.702 3.829 -4.090
181 HB2 LEU 21 2HB LEU 21 9.962 5.000 -1.956
182 HB3 LEU 21 1HB LEU 21 11.599 5.632 -2.129
183 HG LEU 21 HG LEU 21 11.174 6.126 -4.503
184 HD11 LEU 21 1HD1 LEU 21 8.796 5.899 -5.321
185 HD12 LEU 21 2HD1 LEU 21 8.460 4.931 -3.889
186 HD13 LEU 21 3HD1 LEU 21 9.633 4.365 -5.082
187 HD21 LEU 21 3HD2 LEU 21 8.977 7.148 -2.668
188 HD22 LEU 21 1HD2 LEU 21 9.492 7.914 -4.170
189 HD23 LEU 21 2HD2 LEU 21 10.596 7.830 -2.799
190 H ALA 22 H ALA 22 10.917 2.801 -0.815
191 HA ALA 22 HA ALA 22 13.543 2.925 0.246
192 HB1 ALA 22 1HB ALA 22 11.503 0.899 1.148
193 HB2 ALA 22 2HB ALA 22 11.285 2.613 1.498
194 HB3 ALA 22 3HB ALA 22 12.700 1.762 2.112
195 H LEU 23 H LEU 23 11.709 0.413 -1.383
196 HA LEU 23 HA LEU 23 13.570 -1.694 -1.151
197 HB2 LEU 23 2HB LEU 23 11.061 -1.357 -2.314
198 HB3 LEU 23 1HB LEU 23 12.119 -1.668 -3.686
199 HG LEU 23 HG LEU 23 11.919 -3.390 -1.193
200 HD11 LEU 23 1HD1 LEU 23 11.054 -5.042 -2.981
201 HD12 LEU 23 2HD1 LEU 23 10.779 -3.614 -3.978
202 HD13 LEU 23 3HD1 LEU 23 9.950 -3.784 -2.429
203 HD21 LEU 23 3HD2 LEU 23 14.121 -3.671 -1.996
204 HD22 LEU 23 1HD2 LEU 23 13.628 -3.521 -3.679
205 HD23 LEU 23 2HD2 LEU 23 13.228 -4.981 -2.772
206 H LYS 24 H LYS 24 13.062 0.772 -3.605
207 HA LYS 24 HA LYS 24 15.040 0.014 -5.430
208 HB2 LYS 24 2HB LYS 24 13.228 1.833 -5.649
209 HB3 LYS 24 1HB LYS 24 14.365 2.887 -4.811
210 HG2 LYS 24 2HG LYS 24 15.859 1.585 -6.827
211 HG3 LYS 24 1HG LYS 24 14.348 2.073 -7.587
212 HD2 LYS 24 2HD LYS 24 15.602 4.008 -7.860
213 HD3 LYS 24 1HD LYS 24 14.787 4.356 -6.337
214 HE2 LYS 24 2HE LYS 24 17.324 4.782 -6.407
215 HE3 LYS 24 1HE LYS 24 16.727 3.826 -5.057
216 HZ1 LYS 24 3HZ LYS 24 17.674 1.942 -5.843
217 HZ2 LYS 24 1HZ LYS 24 18.738 3.049 -6.572
218 HZ3 LYS 24 2HZ LYS 24 17.466 2.379 -7.476
219 H LYS 25 H LYS 25 15.174 1.773 -2.438
220 HA LYS 25 HA LYS 25 17.737 1.188 -1.676
221 HB2 LYS 25 2HB LYS 25 18.074 2.762 -3.886
222 HB3 LYS 25 1HB LYS 25 18.049 3.979 -2.616
223 HG2 LYS 25 2HG LYS 25 19.650 1.983 -1.533
224 HG3 LYS 25 1HG LYS 25 20.106 1.980 -3.235
225 HD2 LYS 25 2HD LYS 25 21.530 3.614 -2.372
226 HD3 LYS 25 1HD LYS 25 20.176 4.581 -2.951
227 HE2 LYS 25 2HE LYS 25 20.728 5.337 -0.704
228 HE3 LYS 25 1HE LYS 25 19.189 4.483 -0.638
229 HZ1 LYS 25 3HZ LYS 25 20.978 2.497 -0.270
230 HZ2 LYS 25 1HZ LYS 25 20.149 3.304 0.982
231 HZ3 LYS 25 2HZ LYS 25 21.722 3.787 0.538
232 H ALA 26 H ALA 26 18.050 1.893 0.362
233 HA ALA 26 HA ALA 26 16.312 4.082 1.323
234 HB1 ALA 26 1HB ALA 26 16.491 2.751 3.563
235 HB2 ALA 26 2HB ALA 26 16.876 1.382 2.520
236 HB3 ALA 26 3HB ALA 26 15.336 2.225 2.343
Start of MODEL 6
1 H1 LYS 1 1HT LYS 1 -20.118 11.506 1.049
2 H2 LYS 1 2HT LYS 1 -20.552 13.016 0.417
3 H3 LYS 1 3HT LYS 1 -21.465 12.322 1.668
4 HA LYS 1 HA LYS 1 -19.198 13.985 1.829
5 HB2 LYS 1 2HB LYS 1 -19.844 14.064 4.194
6 HB3 LYS 1 1HB LYS 1 -21.260 14.220 3.159
7 HG2 LYS 1 2HG LYS 1 -21.593 11.701 3.436
8 HG3 LYS 1 1HG LYS 1 -20.352 11.760 4.687
9 HD2 LYS 1 2HD LYS 1 -22.274 13.860 5.162
10 HD3 LYS 1 1HD LYS 1 -23.124 12.327 4.961
11 HE2 LYS 1 2HE LYS 1 -22.571 12.529 7.298
12 HE3 LYS 1 1HE LYS 1 -21.495 11.310 6.617
13 HZ1 LYS 1 2HZ LYS 1 -19.818 13.083 6.335
14 HZ2 LYS 1 3HZ LYS 1 -20.230 12.812 7.957
15 HZ3 LYS 1 1HZ LYS 1 -20.847 14.160 7.141
16 H LYS 2 H LYS 2 -19.798 10.613 2.646
17 HA LYS 2 HA LYS 2 -16.910 10.238 3.033
18 HB2 LYS 2 2HB LYS 2 -18.715 10.332 5.206
19 HB3 LYS 2 1HB LYS 2 -18.373 8.623 4.945
20 HG2 LYS 2 2HG LYS 2 -16.161 10.675 5.017
21 HG3 LYS 2 1HG LYS 2 -16.771 9.939 6.498
22 HD2 LYS 2 2HD LYS 2 -16.236 7.698 5.625
23 HD3 LYS 2 1HD LYS 2 -15.683 8.410 4.109
24 HE2 LYS 2 2HE LYS 2 -13.930 7.814 5.993
25 HE3 LYS 2 1HE LYS 2 -13.752 9.305 5.069
26 HZ1 LYS 2 3HZ LYS 2 -14.719 10.552 6.814
27 HZ2 LYS 2 1HZ LYS 2 -13.567 9.545 7.539
28 HZ3 LYS 2 2HZ LYS 2 -15.216 9.161 7.645
29 H ALA 3 H ALA 3 -16.215 8.389 2.061
30 HA ALA 3 HA ALA 3 -18.178 6.762 0.664
31 HB1 ALA 3 1HB ALA 3 -15.511 5.706 0.482
32 HB2 ALA 3 2HB ALA 3 -15.449 7.455 0.283
33 HB3 ALA 3 3HB ALA 3 -16.471 6.482 -0.775
34 H LEU 4 H LEU 4 -18.444 4.520 0.935
35 HA LEU 4 HA LEU 4 -17.763 3.554 3.630
36 HB2 LEU 4 2HB LEU 4 -20.147 3.467 2.186
37 HB3 LEU 4 1HB LEU 4 -19.510 1.829 2.040
38 HG LEU 4 HG LEU 4 -19.828 3.331 4.663
39 HD11 LEU 4 1HD1 LEU 4 -21.441 1.044 3.490
40 HD12 LEU 4 2HD1 LEU 4 -22.003 2.711 3.629
41 HD13 LEU 4 3HD1 LEU 4 -21.679 1.758 5.082
42 HD21 LEU 4 3HD2 LEU 4 -18.020 1.719 4.805
43 HD22 LEU 4 1HD2 LEU 4 -18.970 0.503 3.956
44 HD23 LEU 4 2HD2 LEU 4 -19.421 0.993 5.586
45 H LEU 5 H LEU 5 -18.226 1.996 0.462
46 HA LEU 5 HA LEU 5 -15.860 0.317 1.003
47 HB2 LEU 5 2HB LEU 5 -18.000 -0.854 0.495
48 HB3 LEU 5 1HB LEU 5 -18.045 -0.046 -1.073
49 HG LEU 5 HG LEU 5 -15.448 -1.181 -0.816
50 HD11 LEU 5 1HD1 LEU 5 -16.303 -3.645 -0.694
51 HD12 LEU 5 2HD1 LEU 5 -17.687 -2.949 0.148
52 HD13 LEU 5 3HD1 LEU 5 -16.065 -2.762 0.815
53 HD21 LEU 5 3HD2 LEU 5 -17.906 -1.940 -2.416
54 HD22 LEU 5 1HD2 LEU 5 -16.314 -2.628 -2.704
55 HD23 LEU 5 2HD2 LEU 5 -16.581 -0.903 -2.935
56 H ALA 6 H ALA 6 -14.042 1.138 0.127
57 HA ALA 6 HA ALA 6 -14.166 2.156 -2.640
58 HB1 ALA 6 1HB ALA 6 -13.985 3.887 -0.553
59 HB2 ALA 6 2HB ALA 6 -13.278 4.190 -2.139
60 HB3 ALA 6 3HB ALA 6 -12.276 3.549 -0.837
61 H LEU 7 H LEU 7 -11.343 2.959 -2.442
62 HA LEU 7 HA LEU 7 -10.163 0.399 -3.058
63 HB2 LEU 7 2HB LEU 7 -9.177 3.241 -3.041
64 HB3 LEU 7 1HB LEU 7 -8.057 1.902 -3.234
65 HG LEU 7 HG LEU 7 -9.031 2.981 -5.376
66 HD11 LEU 7 1HD1 LEU 7 -7.793 0.797 -5.230
67 HD12 LEU 7 2HD1 LEU 7 -8.982 0.858 -6.527
68 HD13 LEU 7 3HD1 LEU 7 -9.348 -0.017 -5.041
69 HD21 LEU 7 3HD2 LEU 7 -11.370 1.187 -4.625
70 HD22 LEU 7 1HD2 LEU 7 -11.197 2.149 -6.094
71 HD23 LEU 7 2HD2 LEU 7 -11.400 2.950 -4.539
72 H ALA 8 H ALA 8 -9.791 -0.914 -1.361
73 HA ALA 8 HA ALA 8 -8.554 0.224 1.079
74 HB1 ALA 8 1HB ALA 8 -10.686 -0.915 1.446
75 HB2 ALA 8 2HB ALA 8 -9.365 -1.810 2.201
76 HB3 ALA 8 3HB ALA 8 -10.052 -2.370 0.674
77 H LEU 9 H LEU 9 -8.068 -1.877 -1.551
78 HA LEU 9 HA LEU 9 -5.918 -3.417 -0.359
79 HB2 LEU 9 2HB LEU 9 -7.257 -3.251 -2.995
80 HB3 LEU 9 1HB LEU 9 -5.654 -3.972 -2.901
81 HG LEU 9 HG LEU 9 -6.408 -5.620 -1.303
82 HD11 LEU 9 1HD1 LEU 9 -8.987 -4.025 -1.324
83 HD12 LEU 9 2HD1 LEU 9 -7.945 -4.373 0.055
84 HD13 LEU 9 3HD1 LEU 9 -8.880 -5.664 -0.690
85 HD21 LEU 9 3HD2 LEU 9 -6.833 -6.192 -3.613
86 HD22 LEU 9 1HD2 LEU 9 -8.326 -5.254 -3.619
87 HD23 LEU 9 2HD2 LEU 9 -8.215 -6.727 -2.659
88 H HIS 10 H HIS 10 -6.156 -1.187 -3.097
89 HA HIS 10 HA HIS 10 -3.495 -0.913 -3.732
90 HB2 HIS 10 2HB HIS 10 -4.101 0.907 -4.919
91 HB3 HIS 10 1HB HIS 10 -5.725 0.384 -4.502
92 HD1 HIS 10 1HD HIS 10 -3.556 3.269 -4.300
93 HD2 HIS 10 2HD HIS 10 -6.612 1.719 -1.906
94 HE1 HIS 10 1HE HIS 10 -4.334 5.164 -2.792
95 HE2 HIS 10 2HE HIS 10 -6.189 4.233 -1.322
96 H HIS 11 H HIS 11 -5.272 0.280 -1.084
97 HA HIS 11 HA HIS 11 -3.749 2.180 0.147
98 HB2 HIS 11 2HB HIS 11 -5.652 0.109 0.859
99 HB3 HIS 11 1HB HIS 11 -4.465 0.362 2.151
100 HD1 HIS 11 1HD HIS 11 -4.890 2.338 3.651
101 HD2 HIS 11 2HD HIS 11 -6.842 2.727 -0.014
102 HE1 HIS 11 1HE HIS 11 -6.231 4.490 3.777
103 HE2 HIS 11 2HE HIS 11 -7.431 4.739 1.545
104 H LEU 12 H LEU 12 -3.224 -1.217 -0.221
105 HA LEU 12 HA LEU 12 -0.887 -1.273 1.530
106 HB2 LEU 12 2HB LEU 12 -2.305 -3.318 -0.169
107 HB3 LEU 12 1HB LEU 12 -0.705 -3.648 0.492
108 HG LEU 12 HG LEU 12 -1.714 -2.904 2.766
109 HD11 LEU 12 1HD1 LEU 12 -4.207 -3.441 2.859
110 HD12 LEU 12 2HD1 LEU 12 -4.202 -3.348 1.098
111 HD13 LEU 12 3HD1 LEU 12 -3.781 -1.930 2.057
112 HD21 LEU 12 3HD2 LEU 12 -2.728 -5.462 1.478
113 HD22 LEU 12 1HD2 LEU 12 -2.558 -5.159 3.209
114 HD23 LEU 12 2HD2 LEU 12 -1.125 -5.251 2.186
115 H ALA 13 H ALA 13 -1.740 -1.448 -1.841
116 HA ALA 13 HA ALA 13 0.827 -1.759 -2.962
117 HB1 ALA 13 1HB ALA 13 -1.246 -1.846 -4.327
118 HB2 ALA 13 2HB ALA 13 -0.080 -0.700 -4.987
119 HB3 ALA 13 3HB ALA 13 -1.470 -0.115 -4.075
120 H HIS 14 H HIS 14 -0.849 0.898 -1.553
121 HA HIS 14 HA HIS 14 0.886 2.998 -2.362
122 HB2 HIS 14 2HB HIS 14 -0.959 3.967 -1.559
123 HB3 HIS 14 1HB HIS 14 -1.359 2.618 -0.523
124 HD1 HIS 14 1HD HIS 14 1.705 4.910 -0.433
125 HD2 HIS 14 2HD HIS 14 -1.478 3.723 1.997
126 HE1 HIS 14 1HE HIS 14 2.063 6.023 1.818
127 HE2 HIS 14 2HE HIS 14 0.118 5.329 3.306
128 H LEU 15 H LEU 15 0.597 1.110 0.603
129 HA LEU 15 HA LEU 15 2.868 2.167 1.913
130 HB2 LEU 15 2HB LEU 15 1.349 -0.427 2.064
131 HB3 LEU 15 1HB LEU 15 2.901 -0.303 2.876
132 HG LEU 15 HG LEU 15 1.909 0.702 4.609
133 HD11 LEU 15 1HD1 LEU 15 0.671 2.910 4.239
134 HD12 LEU 15 2HD1 LEU 15 1.064 2.723 2.533
135 HD13 LEU 15 3HD1 LEU 15 2.357 2.866 3.727
136 HD21 LEU 15 3HD2 LEU 15 -0.457 0.240 2.849
137 HD22 LEU 15 1HD2 LEU 15 -0.676 1.224 4.294
138 HD23 LEU 15 2HD2 LEU 15 -0.095 -0.437 4.436
139 H ALA 16 H ALA 16 2.254 -0.189 -0.452
140 HA ALA 16 HA ALA 16 4.902 -1.305 -0.550
141 HB1 ALA 16 1HB ALA 16 3.133 -1.328 -2.956
142 HB2 ALA 16 2HB ALA 16 2.602 -2.200 -1.517
143 HB3 ALA 16 3HB ALA 16 4.131 -2.616 -2.286
144 H LEU 17 H LEU 17 3.302 1.403 -1.949
145 HA LEU 17 HA LEU 17 5.032 1.960 -4.072
146 HB2 LEU 17 2HB LEU 17 3.581 3.633 -4.409
147 HB3 LEU 17 1HB LEU 17 2.751 3.106 -2.958
148 HG LEU 17 HG LEU 17 4.278 4.617 -1.628
149 HD11 LEU 17 1HD1 LEU 17 6.047 5.572 -2.658
150 HD12 LEU 17 2HD1 LEU 17 4.946 6.429 -3.736
151 HD13 LEU 17 3HD1 LEU 17 5.566 4.840 -4.184
152 HD21 LEU 17 3HD2 LEU 17 3.082 6.688 -2.313
153 HD22 LEU 17 1HD2 LEU 17 1.999 5.297 -2.219
154 HD23 LEU 17 2HD2 LEU 17 2.555 5.877 -3.785
155 H HIS 18 H HIS 18 5.077 3.219 -0.756
156 HA HIS 18 HA HIS 18 7.563 4.599 -1.238
157 HB2 HIS 18 2HB HIS 18 7.562 5.086 1.114
158 HB3 HIS 18 1HB HIS 18 5.952 5.291 0.468
159 HD1 HIS 18 1HD HIS 18 7.938 2.954 2.644
160 HD2 HIS 18 2HD HIS 18 4.006 3.579 1.399
161 HE1 HIS 18 1HE HIS 18 6.490 1.504 4.134
162 HE2 HIS 18 2HE HIS 18 4.079 1.875 3.403
163 H LEU 19 H LEU 19 6.554 1.626 0.250
164 HA LEU 19 HA LEU 19 8.992 0.662 1.211
165 HB2 LEU 19 2HB LEU 19 6.450 -0.454 0.629
166 HB3 LEU 19 1HB LEU 19 7.624 -1.428 -0.241
167 HG LEU 19 HG LEU 19 7.472 -2.444 1.869
168 HD11 LEU 19 1HD1 LEU 19 9.677 -2.378 2.581
169 HD12 LEU 19 2HD1 LEU 19 9.754 -0.618 2.510
170 HD13 LEU 19 3HD1 LEU 19 9.839 -1.566 1.027
171 HD21 LEU 19 3HD2 LEU 19 7.959 0.131 3.337
172 HD22 LEU 19 1HD2 LEU 19 7.177 -1.345 3.908
173 HD23 LEU 19 2HD2 LEU 19 6.325 -0.272 2.797
174 H ALA 20 H ALA 20 7.677 1.005 -1.958
175 HA ALA 20 HA ALA 20 9.605 -0.491 -3.445
176 HB1 ALA 20 1HB ALA 20 8.636 0.404 -5.348
177 HB2 ALA 20 2HB ALA 20 8.395 1.986 -4.607
178 HB3 ALA 20 3HB ALA 20 7.326 0.647 -4.192
179 H LEU 21 H LEU 21 9.262 2.978 -2.989
180 HA LEU 21 HA LEU 21 11.678 3.855 -4.008
181 HB2 LEU 21 2HB LEU 21 10.359 4.925 -1.501
182 HB3 LEU 21 1HB LEU 21 11.448 5.802 -2.575
183 HG LEU 21 HG LEU 21 8.739 4.696 -3.373
184 HD11 LEU 21 1HD1 LEU 21 9.646 7.315 -2.290
185 HD12 LEU 21 2HD1 LEU 21 8.088 6.511 -2.135
186 HD13 LEU 21 3HD1 LEU 21 8.496 7.358 -3.623
187 HD21 LEU 21 3HD2 LEU 21 10.090 4.774 -5.321
188 HD22 LEU 21 1HD2 LEU 21 10.879 6.266 -4.814
189 HD23 LEU 21 2HD2 LEU 21 9.199 6.294 -5.344
190 H ALA 22 H ALA 22 10.875 2.786 -0.765
191 HA ALA 22 HA ALA 22 13.342 3.067 0.487
192 HB1 ALA 22 1HB ALA 22 10.965 2.142 1.325
193 HB2 ALA 22 2HB ALA 22 12.461 1.802 2.193
194 HB3 ALA 22 3HB ALA 22 11.790 0.602 1.090
195 H LEU 23 H LEU 23 12.033 0.243 -1.182
196 HA LEU 23 HA LEU 23 14.368 -1.339 -1.067
197 HB2 LEU 23 2HB LEU 23 11.786 -1.437 -2.445
198 HB3 LEU 23 1HB LEU 23 13.099 -2.095 -3.416
199 HG LEU 23 HG LEU 23 12.084 -3.860 -2.046
200 HD11 LEU 23 1HD1 LEU 23 14.795 -3.236 -2.226
201 HD12 LEU 23 2HD1 LEU 23 14.118 -4.795 -1.761
202 HD13 LEU 23 3HD1 LEU 23 14.562 -3.619 -0.522
203 HD21 LEU 23 3HD2 LEU 23 12.224 -3.770 0.403
204 HD22 LEU 23 1HD2 LEU 23 11.286 -2.408 -0.200
205 HD23 LEU 23 2HD2 LEU 23 12.950 -2.167 0.323
206 H LYS 24 H LYS 24 13.100 0.788 -3.567
207 HA LYS 24 HA LYS 24 15.142 0.433 -5.460
208 HB2 LYS 24 2HB LYS 24 12.828 1.790 -5.496
209 HB3 LYS 24 1HB LYS 24 13.923 3.139 -5.209
210 HG2 LYS 24 2HG LYS 24 15.165 1.578 -7.201
211 HG3 LYS 24 1HG LYS 24 13.465 1.647 -7.656
212 HD2 LYS 24 2HD LYS 24 14.506 3.557 -8.649
213 HD3 LYS 24 1HD LYS 24 13.581 4.157 -7.271
214 HE2 LYS 24 2HE LYS 24 15.965 5.063 -7.499
215 HE3 LYS 24 1HE LYS 24 15.549 4.391 -5.927
216 HZ1 LYS 24 3HZ LYS 24 16.758 2.652 -7.972
217 HZ2 LYS 24 1HZ LYS 24 16.830 2.530 -6.279
218 HZ3 LYS 24 2HZ LYS 24 17.757 3.707 -7.086
219 H LYS 25 H LYS 25 15.008 2.319 -2.556
220 HA LYS 25 HA LYS 25 16.552 3.574 -1.441
221 HB2 LYS 25 2HB LYS 25 18.384 1.914 -3.173
222 HB3 LYS 25 1HB LYS 25 18.989 3.061 -1.978
223 HG2 LYS 25 2HG LYS 25 17.144 1.718 -0.483
224 HG3 LYS 25 1HG LYS 25 17.662 0.439 -1.578
225 HD2 LYS 25 2HD LYS 25 19.209 0.237 0.166
226 HD3 LYS 25 1HD LYS 25 20.079 1.259 -0.975
227 HE2 LYS 25 2HE LYS 25 20.217 2.137 1.345
228 HE3 LYS 25 1HE LYS 25 19.401 3.266 0.263
229 HZ1 LYS 25 3HZ LYS 25 17.597 1.388 1.460
230 HZ2 LYS 25 1HZ LYS 25 17.517 3.084 1.410
231 HZ3 LYS 25 2HZ LYS 25 18.425 2.310 2.621
232 H ALA 26 H ALA 26 18.879 3.715 -3.969
233 HA ALA 26 HA ALA 26 18.050 6.501 -4.521
234 HB1 ALA 26 1HB ALA 26 20.482 5.574 -3.560
235 HB2 ALA 26 2HB ALA 26 20.189 7.150 -4.302
236 HB3 ALA 26 3HB ALA 26 20.782 5.811 -5.285
Start of MODEL 7
1 H1 LYS 1 1HT LYS 1 -26.405 -6.187 -3.357
2 H2 LYS 1 2HT LYS 1 -24.893 -5.470 -3.075
3 H3 LYS 1 3HT LYS 1 -25.146 -6.410 -4.465
4 HA LYS 1 HA LYS 1 -26.416 -4.817 -5.504
5 HB2 LYS 1 2HB LYS 1 -26.617 -3.290 -2.901
6 HB3 LYS 1 1HB LYS 1 -27.537 -3.033 -4.379
7 HG2 LYS 1 2HG LYS 1 -28.489 -5.381 -4.054
8 HG3 LYS 1 1HG LYS 1 -27.773 -5.354 -2.441
9 HD2 LYS 1 2HD LYS 1 -29.002 -3.080 -2.169
10 HD3 LYS 1 1HD LYS 1 -29.963 -3.603 -3.555
11 HE2 LYS 1 2HE LYS 1 -29.572 -5.446 -1.207
12 HE3 LYS 1 1HE LYS 1 -30.798 -4.181 -1.145
13 HZ1 LYS 1 2HZ LYS 1 -30.606 -6.492 -2.943
14 HZ2 LYS 1 3HZ LYS 1 -31.457 -5.110 -3.434
15 HZ3 LYS 1 1HZ LYS 1 -31.933 -5.941 -2.036
16 H LYS 2 H LYS 2 -25.150 -3.544 -6.705
17 HA LYS 2 HA LYS 2 -23.446 -2.182 -7.385
18 HB2 LYS 2 2HB LYS 2 -23.628 -1.232 -4.516
19 HB3 LYS 2 1HB LYS 2 -22.632 -0.465 -5.751
20 HG2 LYS 2 2HG LYS 2 -25.012 -0.598 -7.064
21 HG3 LYS 2 1HG LYS 2 -25.577 -0.413 -5.404
22 HD2 LYS 2 2HD LYS 2 -23.613 1.406 -6.840
23 HD3 LYS 2 1HD LYS 2 -25.280 1.790 -6.439
24 HE2 LYS 2 2HE LYS 2 -22.945 1.422 -4.558
25 HE3 LYS 2 1HE LYS 2 -24.003 2.824 -4.732
26 HZ1 LYS 2 3HZ LYS 2 -25.777 1.682 -3.749
27 HZ2 LYS 2 1HZ LYS 2 -24.436 1.353 -2.763
28 HZ3 LYS 2 2HZ LYS 2 -24.994 0.182 -3.851
29 H ALA 3 H ALA 3 -21.089 -1.605 -6.909
30 HA ALA 3 HA ALA 3 -19.709 -4.048 -6.222
31 HB1 ALA 3 1HB ALA 3 -19.155 -2.046 -7.975
32 HB2 ALA 3 2HB ALA 3 -17.932 -3.147 -7.339
33 HB3 ALA 3 3HB ALA 3 -18.149 -1.556 -6.612
34 H LEU 4 H LEU 4 -20.002 -4.396 -4.043
35 HA LEU 4 HA LEU 4 -19.776 -2.412 -2.046
36 HB2 LEU 4 2HB LEU 4 -19.304 -5.396 -1.796
37 HB3 LEU 4 1HB LEU 4 -19.606 -4.279 -0.462
38 HG LEU 4 HG LEU 4 -21.523 -4.690 -2.775
39 HD11 LEU 4 1HD1 LEU 4 -21.294 -6.759 -1.463
40 HD12 LEU 4 2HD1 LEU 4 -22.864 -6.005 -1.187
41 HD13 LEU 4 3HD1 LEU 4 -21.588 -5.854 0.021
42 HD21 LEU 4 3HD2 LEU 4 -22.052 -2.618 -1.827
43 HD22 LEU 4 1HD2 LEU 4 -21.541 -3.112 -0.211
44 HD23 LEU 4 2HD2 LEU 4 -23.060 -3.706 -0.878
45 H LEU 5 H LEU 5 -17.951 -3.597 -0.232
46 HA LEU 5 HA LEU 5 -15.727 -3.595 0.354
47 HB2 LEU 5 2HB LEU 5 -15.701 -4.607 -2.287
48 HB3 LEU 5 1HB LEU 5 -14.458 -3.357 -2.231
49 HG LEU 5 HG LEU 5 -13.685 -4.472 -0.030
50 HD11 LEU 5 1HD1 LEU 5 -15.345 -6.725 -1.203
51 HD12 LEU 5 2HD1 LEU 5 -15.743 -5.828 0.262
52 HD13 LEU 5 3HD1 LEU 5 -14.297 -6.834 0.208
53 HD21 LEU 5 3HD2 LEU 5 -12.312 -4.695 -1.973
54 HD22 LEU 5 1HD2 LEU 5 -13.455 -5.786 -2.753
55 HD23 LEU 5 2HD2 LEU 5 -12.523 -6.332 -1.358
56 H ALA 6 H ALA 6 -13.766 -2.129 0.183
57 HA ALA 6 HA ALA 6 -14.371 0.489 -1.009
58 HB1 ALA 6 1HB ALA 6 -13.284 0.746 1.691
59 HB2 ALA 6 2HB ALA 6 -14.874 -0.014 1.678
60 HB3 ALA 6 3HB ALA 6 -14.651 1.572 0.945
61 H LEU 7 H LEU 7 -12.229 1.786 0.404
62 HA LEU 7 HA LEU 7 -10.030 0.834 -1.198
63 HB2 LEU 7 2HB LEU 7 -10.747 3.278 0.028
64 HB3 LEU 7 1HB LEU 7 -9.223 2.789 0.758
65 HG LEU 7 HG LEU 7 -9.835 3.251 -2.170
66 HD11 LEU 7 1HD1 LEU 7 -8.138 4.891 -2.030
67 HD12 LEU 7 2HD1 LEU 7 -7.515 4.238 -0.515
68 HD13 LEU 7 3HD1 LEU 7 -9.062 5.086 -0.541
69 HD21 LEU 7 3HD2 LEU 7 -7.247 2.574 -2.263
70 HD22 LEU 7 1HD2 LEU 7 -8.523 1.378 -2.485
71 HD23 LEU 7 2HD2 LEU 7 -7.724 1.537 -0.920
72 H ALA 8 H ALA 8 -8.285 -0.313 -0.532
73 HA ALA 8 HA ALA 8 -7.339 -0.581 2.095
74 HB1 ALA 8 1HB ALA 8 -8.112 -3.066 2.353
75 HB2 ALA 8 2HB ALA 8 -9.432 -2.579 1.290
76 HB3 ALA 8 3HB ALA 8 -9.203 -1.770 2.838
77 H LEU 9 H LEU 9 -7.792 -1.969 -1.034
78 HA LEU 9 HA LEU 9 -5.511 -3.712 -0.928
79 HB2 LEU 9 2HB LEU 9 -7.688 -3.632 -2.461
80 HB3 LEU 9 1HB LEU 9 -6.584 -2.740 -3.510
81 HG LEU 9 HG LEU 9 -6.087 -5.496 -2.330
82 HD11 LEU 9 1HD1 LEU 9 -6.592 -6.406 -4.394
83 HD12 LEU 9 2HD1 LEU 9 -6.249 -4.909 -5.263
84 HD13 LEU 9 3HD1 LEU 9 -7.743 -5.071 -4.339
85 HD21 LEU 9 3HD2 LEU 9 -4.141 -5.395 -4.044
86 HD22 LEU 9 1HD2 LEU 9 -3.941 -4.512 -2.530
87 HD23 LEU 9 2HD2 LEU 9 -4.378 -3.646 -4.005
88 H HIS 10 H HIS 10 -6.222 -0.852 -2.880
89 HA HIS 10 HA HIS 10 -3.625 -0.387 -3.814
90 HB2 HIS 10 2HB HIS 10 -5.907 1.496 -3.215
91 HB3 HIS 10 1HB HIS 10 -4.368 2.064 -3.853
92 HD1 HIS 10 1HD HIS 10 -3.579 0.772 -6.151
93 HD2 HIS 10 2HD HIS 10 -7.637 0.591 -5.185
94 HE1 HIS 10 1HE HIS 10 -4.788 0.071 -8.269
95 HE2 HIS 10 2HE HIS 10 -7.273 -0.024 -7.701
96 H HIS 11 H HIS 11 -5.301 0.469 -0.950
97 HA HIS 11 HA HIS 11 -3.761 2.188 0.461
98 HB2 HIS 11 2HB HIS 11 -5.571 -0.016 0.995
99 HB3 HIS 11 1HB HIS 11 -4.332 0.119 2.253
100 HD1 HIS 11 1HD HIS 11 -4.101 2.580 3.386
101 HD2 HIS 11 2HD HIS 11 -7.555 1.903 1.148
102 HE1 HIS 11 1HE HIS 11 -5.738 4.413 4.024
103 HE2 HIS 11 2HE HIS 11 -7.850 4.025 2.656
104 H LEU 12 H LEU 12 -3.247 -1.237 -0.052
105 HA LEU 12 HA LEU 12 -0.806 -1.331 1.498
106 HB2 LEU 12 2HB LEU 12 -1.974 -3.344 -0.445
107 HB3 LEU 12 1HB LEU 12 -0.660 -3.651 0.691
108 HG LEU 12 HG LEU 12 -3.341 -2.648 1.652
109 HD11 LEU 12 1HD1 LEU 12 -3.847 -5.074 2.141
110 HD12 LEU 12 2HD1 LEU 12 -2.489 -5.503 1.103
111 HD13 LEU 12 3HD1 LEU 12 -3.882 -4.656 0.429
112 HD21 LEU 12 3HD2 LEU 12 -2.520 -4.018 3.675
113 HD22 LEU 12 1HD2 LEU 12 -1.660 -2.518 3.327
114 HD23 LEU 12 2HD2 LEU 12 -0.958 -4.066 2.859
115 H ALA 13 H ALA 13 -1.733 -1.512 -1.872
116 HA ALA 13 HA ALA 13 0.773 -1.725 -3.085
117 HB1 ALA 13 1HB ALA 13 -1.399 0.080 -4.158
118 HB2 ALA 13 2HB ALA 13 -1.546 -1.676 -4.211
119 HB3 ALA 13 3HB ALA 13 -0.231 -0.878 -5.069
120 H HIS 14 H HIS 14 -0.860 0.924 -1.602
121 HA HIS 14 HA HIS 14 0.872 3.026 -2.428
122 HB2 HIS 14 2HB HIS 14 -1.058 3.902 -1.670
123 HB3 HIS 14 1HB HIS 14 -1.339 2.623 -0.516
124 HD1 HIS 14 1HD HIS 14 1.433 5.250 -0.830
125 HD2 HIS 14 2HD HIS 14 -1.249 3.715 1.976
126 HE1 HIS 14 1HE HIS 14 1.881 6.483 1.342
127 HE2 HIS 14 2HE HIS 14 0.247 5.565 3.066
128 H LEU 15 H LEU 15 0.569 1.155 0.547
129 HA LEU 15 HA LEU 15 2.833 2.201 1.875
130 HB2 LEU 15 2HB LEU 15 1.386 -0.449 1.952
131 HB3 LEU 15 1HB LEU 15 2.882 -0.240 2.846
132 HG LEU 15 HG LEU 15 1.871 0.989 4.465
133 HD11 LEU 15 1HD1 LEU 15 0.297 2.282 2.245
134 HD12 LEU 15 2HD1 LEU 15 1.595 3.002 3.201
135 HD13 LEU 15 3HD1 LEU 15 0.031 2.660 3.943
136 HD21 LEU 15 3HD2 LEU 15 0.298 -0.993 3.832
137 HD22 LEU 15 1HD2 LEU 15 -0.776 0.270 3.228
138 HD23 LEU 15 2HD2 LEU 15 -0.308 0.247 4.927
139 H ALA 16 H ALA 16 2.215 -0.197 -0.477
140 HA ALA 16 HA ALA 16 4.825 -1.340 -0.590
141 HB1 ALA 16 1HB ALA 16 4.044 -2.600 -2.366
142 HB2 ALA 16 2HB ALA 16 3.070 -1.277 -3.010
143 HB3 ALA 16 3HB ALA 16 2.523 -2.168 -1.588
144 H LEU 17 H LEU 17 3.295 1.380 -2.106
145 HA LEU 17 HA LEU 17 5.139 1.867 -4.138
146 HB2 LEU 17 2HB LEU 17 3.471 3.319 -4.530
147 HB3 LEU 17 1HB LEU 17 2.961 3.306 -2.851
148 HG LEU 17 HG LEU 17 5.482 4.785 -3.303
149 HD11 LEU 17 1HD1 LEU 17 4.349 6.731 -4.317
150 HD12 LEU 17 2HD1 LEU 17 2.886 5.770 -4.510
151 HD13 LEU 17 3HD1 LEU 17 4.345 5.338 -5.400
152 HD21 LEU 17 3HD2 LEU 17 4.120 4.754 -1.191
153 HD22 LEU 17 1HD2 LEU 17 2.827 5.572 -2.060
154 HD23 LEU 17 2HD2 LEU 17 4.378 6.377 -1.826
155 H HIS 18 H HIS 18 5.075 3.160 -0.820
156 HA HIS 18 HA HIS 18 7.640 4.417 -1.289
157 HB2 HIS 18 2HB HIS 18 7.573 5.144 0.961
158 HB3 HIS 18 1HB HIS 18 5.965 5.283 0.289
159 HD1 HIS 18 1HD HIS 18 7.900 3.495 2.906
160 HD2 HIS 18 2HD HIS 18 4.046 3.494 1.306
161 HE1 HIS 18 1HE HIS 18 6.447 2.223 4.547
162 HE2 HIS 18 2HE HIS 18 4.083 2.244 3.611
163 H LEU 19 H LEU 19 6.431 1.573 0.304
164 HA LEU 19 HA LEU 19 8.792 0.554 1.413
165 HB2 LEU 19 2HB LEU 19 6.262 -0.578 0.463
166 HB3 LEU 19 1HB LEU 19 7.618 -1.666 0.208
167 HG LEU 19 HG LEU 19 6.650 -2.087 2.380
168 HD11 LEU 19 1HD1 LEU 19 9.032 -0.566 3.245
169 HD12 LEU 19 2HD1 LEU 19 9.295 -1.687 1.910
170 HD13 LEU 19 3HD1 LEU 19 8.658 -2.275 3.447
171 HD21 LEU 19 3HD2 LEU 19 7.274 0.228 3.870
172 HD22 LEU 19 1HD2 LEU 19 5.664 -0.379 3.471
173 HD23 LEU 19 2HD2 LEU 19 6.450 0.793 2.417
174 H ALA 20 H ALA 20 7.612 0.808 -1.813
175 HA ALA 20 HA ALA 20 9.596 -0.829 -3.095
176 HB1 ALA 20 1HB ALA 20 8.092 -0.538 -4.741
177 HB2 ALA 20 2HB ALA 20 8.778 1.068 -4.970
178 HB3 ALA 20 3HB ALA 20 7.379 0.848 -3.924
179 H LEU 21 H LEU 21 9.125 2.659 -3.033
180 HA LEU 21 HA LEU 21 11.515 3.488 -4.141
181 HB2 LEU 21 2HB LEU 21 9.592 4.678 -2.209
182 HB3 LEU 21 1HB LEU 21 11.182 5.431 -2.309
183 HG LEU 21 HG LEU 21 9.535 6.451 -3.889
184 HD11 LEU 21 1HD1 LEU 21 11.520 5.019 -5.615
185 HD12 LEU 21 2HD1 LEU 21 12.128 6.042 -4.312
186 HD13 LEU 21 3HD1 LEU 21 11.097 6.731 -5.566
187 HD21 LEU 21 3HD2 LEU 21 8.212 4.439 -4.379
188 HD22 LEU 21 1HD2 LEU 21 9.608 3.689 -5.159
189 HD23 LEU 21 2HD2 LEU 21 8.856 5.114 -5.872
190 H ALA 22 H ALA 22 10.774 2.638 -0.823
191 HA ALA 22 HA ALA 22 13.175 3.242 0.436
192 HB1 ALA 22 1HB ALA 22 12.480 0.849 1.617
193 HB2 ALA 22 2HB ALA 22 10.946 1.399 0.952
194 HB3 ALA 22 3HB ALA 22 11.836 2.423 2.074
195 H LEU 23 H LEU 23 12.237 0.306 -1.256
196 HA LEU 23 HA LEU 23 14.765 -1.002 -1.016
197 HB2 LEU 23 2HB LEU 23 12.217 -1.457 -2.429
198 HB3 LEU 23 1HB LEU 23 13.636 -2.071 -3.271
199 HG LEU 23 HG LEU 23 14.145 -2.890 -0.702
200 HD11 LEU 23 1HD1 LEU 23 12.069 -3.850 0.171
201 HD12 LEU 23 2HD1 LEU 23 11.161 -3.172 -1.180
202 HD13 LEU 23 3HD1 LEU 23 11.897 -2.104 0.014
203 HD21 LEU 23 3HD2 LEU 23 13.462 -5.116 -1.505
204 HD22 LEU 23 1HD2 LEU 23 14.305 -4.233 -2.778
205 HD23 LEU 23 2HD2 LEU 23 12.545 -4.374 -2.817
206 H LYS 24 H LYS 24 13.133 0.721 -3.601
207 HA LYS 24 HA LYS 24 15.105 0.638 -5.556
208 HB2 LYS 24 2HB LYS 24 12.679 1.698 -5.552
209 HB3 LYS 24 1HB LYS 24 13.562 3.175 -5.166
210 HG2 LYS 24 2HG LYS 24 15.033 1.996 -7.240
211 HG3 LYS 24 1HG LYS 24 13.351 1.766 -7.704
212 HD2 LYS 24 2HD LYS 24 13.738 3.888 -8.575
213 HD3 LYS 24 1HD LYS 24 13.137 4.311 -6.973
214 HE2 LYS 24 2HE LYS 24 15.242 5.534 -7.609
215 HE3 LYS 24 1HE LYS 24 15.398 4.589 -6.131
216 HZ1 LYS 24 3HZ LYS 24 16.157 3.501 -8.777
217 HZ2 LYS 24 1HZ LYS 24 16.605 2.933 -7.240
218 HZ3 LYS 24 2HZ LYS 24 17.253 4.393 -7.829
219 H LYS 25 H LYS 25 14.784 2.718 -2.767
220 HA LYS 25 HA LYS 25 16.165 4.300 -1.836
221 HB2 LYS 25 2HB LYS 25 17.448 2.231 -1.457
222 HB3 LYS 25 1HB LYS 25 18.282 2.469 -2.989
223 HG2 LYS 25 2HG LYS 25 18.705 4.898 -1.816
224 HG3 LYS 25 1HG LYS 25 18.654 3.862 -0.392
225 HD2 LYS 25 2HD LYS 25 20.229 2.643 -2.529
226 HD3 LYS 25 1HD LYS 25 20.848 4.238 -2.102
227 HE2 LYS 25 2HE LYS 25 21.784 2.280 -0.754
228 HE3 LYS 25 1HE LYS 25 21.143 3.628 0.181
229 HZ1 LYS 25 3HZ LYS 25 19.921 2.105 1.200
230 HZ2 LYS 25 1HZ LYS 25 20.234 0.915 0.035
231 HZ3 LYS 25 2HZ LYS 25 18.975 2.030 -0.204
232 H ALA 26 H ALA 26 18.613 3.654 -4.231
233 HA ALA 26 HA ALA 26 17.964 6.169 -5.628
234 HB1 ALA 26 1HB ALA 26 19.793 6.475 -3.879
235 HB2 ALA 26 2HB ALA 26 20.219 6.929 -5.527
236 HB3 ALA 26 3HB ALA 26 20.784 5.397 -4.861
Start of MODEL 8
1 H1 LYS 1 1HT LYS 1 -18.807 -6.959 -0.903
2 H2 LYS 1 2HT LYS 1 -18.692 -7.485 -2.511
3 H3 LYS 1 3HT LYS 1 -19.043 -8.591 -1.276
4 HA LYS 1 HA LYS 1 -21.063 -8.156 -2.401
5 HB2 LYS 1 2HB LYS 1 -21.162 -8.265 0.084
6 HB3 LYS 1 1HB LYS 1 -20.981 -6.515 0.155
7 HG2 LYS 1 2HG LYS 1 -23.061 -6.320 -1.268
8 HG3 LYS 1 1HG LYS 1 -23.264 -8.066 -1.107
9 HD2 LYS 1 2HD LYS 1 -23.488 -7.890 1.291
10 HD3 LYS 1 1HD LYS 1 -23.054 -6.180 1.256
11 HE2 LYS 1 2HE LYS 1 -25.602 -6.982 1.338
12 HE3 LYS 1 1HE LYS 1 -25.113 -5.531 0.461
13 HZ1 LYS 1 2HZ LYS 1 -25.183 -6.640 -1.567
14 HZ2 LYS 1 3HZ LYS 1 -26.552 -7.233 -0.755
15 HZ3 LYS 1 1HZ LYS 1 -25.149 -8.177 -0.852
16 H LYS 2 H LYS 2 -21.210 -5.088 -0.804
17 HA LYS 2 HA LYS 2 -21.854 -3.802 -3.318
18 HB2 LYS 2 2HB LYS 2 -22.408 -3.337 -0.535
19 HB3 LYS 2 1HB LYS 2 -21.699 -1.883 -1.235
20 HG2 LYS 2 2HG LYS 2 -24.039 -3.407 -2.426
21 HG3 LYS 2 1HG LYS 2 -24.178 -1.945 -1.452
22 HD2 LYS 2 2HD LYS 2 -22.512 -0.912 -3.177
23 HD3 LYS 2 1HD LYS 2 -22.995 -2.262 -4.203
24 HE2 LYS 2 2HE LYS 2 -24.498 0.154 -3.457
25 HE3 LYS 2 1HE LYS 2 -24.694 -0.906 -4.851
26 HZ1 LYS 2 3HZ LYS 2 -25.732 -2.531 -3.274
27 HZ2 LYS 2 1HZ LYS 2 -26.625 -1.121 -3.550
28 HZ3 LYS 2 2HZ LYS 2 -25.748 -1.297 -2.112
29 H ALA 3 H ALA 3 -20.666 -2.315 -4.388
30 HA ALA 3 HA ALA 3 -18.843 -1.114 -5.086
31 HB1 ALA 3 1HB ALA 3 -18.673 0.418 -3.426
32 HB2 ALA 3 2HB ALA 3 -17.264 -0.523 -2.943
33 HB3 ALA 3 3HB ALA 3 -18.813 -0.793 -2.152
34 H LEU 4 H LEU 4 -17.238 -2.026 -6.189
35 HA LEU 4 HA LEU 4 -16.071 -4.501 -5.434
36 HB2 LEU 4 2HB LEU 4 -14.452 -4.028 -7.302
37 HB3 LEU 4 1HB LEU 4 -16.150 -3.958 -7.766
38 HG LEU 4 HG LEU 4 -15.883 -1.387 -7.160
39 HD11 LEU 4 1HD1 LEU 4 -13.631 -1.385 -6.336
40 HD12 LEU 4 2HD1 LEU 4 -13.571 -0.657 -7.940
41 HD13 LEU 4 3HD1 LEU 4 -13.058 -2.330 -7.713
42 HD21 LEU 4 3HD2 LEU 4 -14.538 -2.243 -9.700
43 HD22 LEU 4 1HD2 LEU 4 -15.753 -0.990 -9.449
44 HD23 LEU 4 2HD2 LEU 4 -16.223 -2.689 -9.428
45 H LEU 5 H LEU 5 -13.464 -4.509 -5.622
46 HA LEU 5 HA LEU 5 -12.664 -2.948 -3.284
47 HB2 LEU 5 2HB LEU 5 -12.206 -5.537 -3.833
48 HB3 LEU 5 1HB LEU 5 -10.751 -4.825 -4.538
49 HG LEU 5 HG LEU 5 -10.614 -3.480 -2.299
50 HD11 LEU 5 1HD1 LEU 5 -12.790 -4.079 -1.408
51 HD12 LEU 5 2HD1 LEU 5 -11.549 -4.799 -0.386
52 HD13 LEU 5 3HD1 LEU 5 -12.419 -5.796 -1.547
53 HD21 LEU 5 3HD2 LEU 5 -8.934 -4.901 -1.804
54 HD22 LEU 5 1HD2 LEU 5 -9.456 -5.835 -3.200
55 HD23 LEU 5 2HD2 LEU 5 -10.037 -6.255 -1.592
56 H ALA 6 H ALA 6 -11.564 -1.192 -3.407
57 HA ALA 6 HA ALA 6 -9.722 -0.707 -5.662
58 HB1 ALA 6 1HB ALA 6 -10.478 1.729 -5.530
59 HB2 ALA 6 2HB ALA 6 -11.855 1.151 -4.589
60 HB3 ALA 6 3HB ALA 6 -11.634 0.605 -6.251
61 H LEU 7 H LEU 7 -10.849 1.050 -2.772
62 HA LEU 7 HA LEU 7 -8.129 1.667 -2.028
63 HB2 LEU 7 2HB LEU 7 -9.222 2.607 0.061
64 HB3 LEU 7 1HB LEU 7 -9.742 3.344 -1.452
65 HG LEU 7 HG LEU 7 -11.693 1.686 -1.426
66 HD11 LEU 7 1HD1 LEU 7 -11.236 0.030 0.127
67 HD12 LEU 7 2HD1 LEU 7 -12.158 1.136 1.146
68 HD13 LEU 7 3HD1 LEU 7 -10.399 1.139 1.213
69 HD21 LEU 7 3HD2 LEU 7 -13.012 3.126 -0.019
70 HD22 LEU 7 1HD2 LEU 7 -11.772 4.134 -0.770
71 HD23 LEU 7 2HD2 LEU 7 -11.590 3.613 0.906
72 H ALA 8 H ALA 8 -7.724 1.190 0.511
73 HA ALA 8 HA ALA 8 -7.273 -0.386 2.113
74 HB1 ALA 8 1HB ALA 8 -9.268 -2.287 0.924
75 HB2 ALA 8 2HB ALA 8 -9.827 -0.858 1.793
76 HB3 ALA 8 3HB ALA 8 -8.824 -2.053 2.615
77 H LEU 9 H LEU 9 -7.602 -1.285 -1.171
78 HA LEU 9 HA LEU 9 -5.679 -3.480 -0.965
79 HB2 LEU 9 2HB LEU 9 -7.866 -3.291 -2.474
80 HB3 LEU 9 1HB LEU 9 -6.744 -2.486 -3.563
81 HG LEU 9 HG LEU 9 -6.355 -5.251 -2.370
82 HD11 LEU 9 1HD1 LEU 9 -6.591 -4.777 -5.299
83 HD12 LEU 9 2HD1 LEU 9 -8.076 -4.671 -4.356
84 HD13 LEU 9 3HD1 LEU 9 -7.122 -6.155 -4.340
85 HD21 LEU 9 3HD2 LEU 9 -4.498 -5.290 -4.150
86 HD22 LEU 9 1HD2 LEU 9 -4.191 -4.303 -2.723
87 HD23 LEU 9 2HD2 LEU 9 -4.687 -3.541 -4.235
88 H HIS 10 H HIS 10 -6.173 -0.611 -2.965
89 HA HIS 10 HA HIS 10 -3.523 -0.377 -3.915
90 HB2 HIS 10 2HB HIS 10 -5.769 1.590 -3.487
91 HB3 HIS 10 1HB HIS 10 -4.164 2.164 -3.938
92 HD1 HIS 10 1HD HIS 10 -3.793 2.298 -6.397
93 HD2 HIS 10 2HD HIS 10 -6.650 -0.589 -5.434
94 HE1 HIS 10 1HE HIS 10 -4.653 1.372 -8.597
95 HE2 HIS 10 2HE HIS 10 -6.383 -0.401 -8.025
96 H HIS 11 H HIS 11 -5.212 0.563 -1.102
97 HA HIS 11 HA HIS 11 -3.625 2.247 0.322
98 HB2 HIS 11 2HB HIS 11 -5.485 0.039 0.889
99 HB3 HIS 11 1HB HIS 11 -4.367 0.412 2.199
100 HD1 HIS 11 1HD HIS 11 -6.127 1.569 3.708
101 HD2 HIS 11 2HD HIS 11 -5.831 3.281 -0.089
102 HE1 HIS 11 1HE HIS 11 -7.451 3.726 3.785
103 HE2 HIS 11 2HE HIS 11 -7.250 4.802 1.491
104 H LEU 12 H LEU 12 -3.256 -1.190 -0.174
105 HA LEU 12 HA LEU 12 -0.907 -1.379 1.512
106 HB2 LEU 12 2HB LEU 12 -2.076 -3.360 -0.464
107 HB3 LEU 12 1HB LEU 12 -0.821 -3.710 0.726
108 HG LEU 12 HG LEU 12 -3.438 -2.544 1.637
109 HD11 LEU 12 1HD1 LEU 12 -3.938 -4.513 0.157
110 HD12 LEU 12 2HD1 LEU 12 -4.409 -4.754 1.840
111 HD13 LEU 12 3HD1 LEU 12 -2.940 -5.504 1.215
112 HD21 LEU 12 3HD2 LEU 12 -2.853 -3.585 3.710
113 HD22 LEU 12 1HD2 LEU 12 -1.357 -2.868 3.105
114 HD23 LEU 12 2HD2 LEU 12 -1.636 -4.600 2.941
115 H ALA 13 H ALA 13 -1.723 -1.504 -1.875
116 HA ALA 13 HA ALA 13 0.827 -1.864 -2.988
117 HB1 ALA 13 1HB ALA 13 -1.006 0.085 -4.316
118 HB2 ALA 13 2HB ALA 13 -1.601 -1.563 -4.095
119 HB3 ALA 13 3HB ALA 13 -0.121 -1.276 -5.010
120 H HIS 14 H HIS 14 -0.791 0.873 -1.647
121 HA HIS 14 HA HIS 14 1.010 2.920 -2.406
122 HB2 HIS 14 2HB HIS 14 -0.902 3.845 -1.665
123 HB3 HIS 14 1HB HIS 14 -1.240 2.556 -0.540
124 HD1 HIS 14 1HD HIS 14 1.624 5.089 -0.735
125 HD2 HIS 14 2HD HIS 14 -1.237 3.681 1.953
126 HE1 HIS 14 1HE HIS 14 2.042 6.284 1.456
127 HE2 HIS 14 2HE HIS 14 0.300 5.455 3.099
128 H LEU 15 H LEU 15 0.632 1.039 0.562
129 HA LEU 15 HA LEU 15 2.870 2.074 1.927
130 HB2 LEU 15 2HB LEU 15 1.394 -0.548 2.012
131 HB3 LEU 15 1HB LEU 15 2.904 -0.372 2.897
132 HG LEU 15 HG LEU 15 1.982 1.016 4.459
133 HD11 LEU 15 1HD1 LEU 15 0.188 2.032 2.247
134 HD12 LEU 15 2HD1 LEU 15 1.486 2.905 3.059
135 HD13 LEU 15 3HD1 LEU 15 0.002 2.527 3.930
136 HD21 LEU 15 3HD2 LEU 15 0.577 -1.060 4.286
137 HD22 LEU 15 1HD2 LEU 15 -0.566 -0.134 3.311
138 HD23 LEU 15 2HD2 LEU 15 -0.266 0.322 4.989
139 H ALA 16 H ALA 16 2.284 -0.334 -0.415
140 HA ALA 16 HA ALA 16 4.904 -1.480 -0.483
141 HB1 ALA 16 1HB ALA 16 3.369 -1.487 -3.004
142 HB2 ALA 16 2HB ALA 16 2.515 -2.153 -1.610
143 HB3 ALA 16 3HB ALA 16 4.063 -2.838 -2.104
144 H LEU 17 H LEU 17 3.394 1.264 -1.960
145 HA LEU 17 HA LEU 17 5.226 1.785 -4.012
146 HB2 LEU 17 2HB LEU 17 3.742 3.409 -4.436
147 HB3 LEU 17 1HB LEU 17 2.931 3.016 -2.931
148 HG LEU 17 HG LEU 17 4.594 4.531 -1.756
149 HD11 LEU 17 1HD1 LEU 17 5.076 6.134 -4.152
150 HD12 LEU 17 2HD1 LEU 17 5.849 4.550 -4.262
151 HD13 LEU 17 3HD1 LEU 17 6.209 5.618 -2.904
152 HD21 LEU 17 3HD2 LEU 17 3.089 6.183 -3.718
153 HD22 LEU 17 1HD2 LEU 17 3.123 6.269 -1.960
154 HD23 LEU 17 2HD2 LEU 17 2.168 5.022 -2.762
155 H HIS 18 H HIS 18 5.161 3.014 -0.679
156 HA HIS 18 HA HIS 18 7.704 4.322 -1.104
157 HB2 HIS 18 2HB HIS 18 7.668 4.886 1.233
158 HB3 HIS 18 1HB HIS 18 6.126 5.211 0.488
159 HD1 HIS 18 1HD HIS 18 7.731 3.052 3.064
160 HD2 HIS 18 2HD HIS 18 3.978 3.585 1.315
161 HE1 HIS 18 1HE HIS 18 6.054 1.928 4.604
162 HE2 HIS 18 2HE HIS 18 3.758 2.275 3.578
163 H LEU 19 H LEU 19 6.535 1.435 0.431
164 HA LEU 19 HA LEU 19 8.941 0.415 1.470
165 HB2 LEU 19 2HB LEU 19 6.404 -0.733 0.526
166 HB3 LEU 19 1HB LEU 19 7.783 -1.800 0.299
167 HG LEU 19 HG LEU 19 8.299 -1.819 2.600
168 HD11 LEU 19 1HD1 LEU 19 8.223 0.259 3.533
169 HD12 LEU 19 2HD1 LEU 19 6.593 -0.213 4.009
170 HD13 LEU 19 3HD1 LEU 19 6.843 0.755 2.557
171 HD21 LEU 19 3HD2 LEU 19 6.466 -3.247 2.416
172 HD22 LEU 19 1HD2 LEU 19 5.362 -1.940 1.992
173 HD23 LEU 19 2HD2 LEU 19 5.902 -2.131 3.659
174 H ALA 20 H ALA 20 7.666 0.747 -1.709
175 HA ALA 20 HA ALA 20 9.674 -0.812 -3.087
176 HB1 ALA 20 1HB ALA 20 7.938 -0.650 -4.548
177 HB2 ALA 20 2HB ALA 20 8.687 0.881 -4.994
178 HB3 ALA 20 3HB ALA 20 7.362 0.856 -3.837
179 H LEU 21 H LEU 21 8.964 2.637 -3.016
180 HA LEU 21 HA LEU 21 11.275 3.571 -4.228
181 HB2 LEU 21 2HB LEU 21 9.217 4.708 -2.474
182 HB3 LEU 21 1HB LEU 21 10.786 5.488 -2.296
183 HG LEU 21 HG LEU 21 9.429 6.588 -4.045
184 HD11 LEU 21 1HD1 LEU 21 11.206 6.851 -5.503
185 HD12 LEU 21 2HD1 LEU 21 11.548 5.122 -5.564
186 HD13 LEU 21 3HD1 LEU 21 12.035 6.070 -4.156
187 HD21 LEU 21 3HD2 LEU 21 9.699 4.107 -5.724
188 HD22 LEU 21 1HD2 LEU 21 8.592 5.465 -5.925
189 HD23 LEU 21 2HD2 LEU 21 8.321 4.287 -4.640
190 H ALA 22 H ALA 22 10.665 2.827 -0.858
191 HA ALA 22 HA ALA 22 13.129 3.625 0.219
192 HB1 ALA 22 1HB ALA 22 12.643 2.066 2.053
193 HB2 ALA 22 2HB ALA 22 11.382 1.309 1.078
194 HB3 ALA 22 3HB ALA 22 11.202 2.982 1.607
195 H LEU 23 H LEU 23 12.109 0.640 -1.301
196 HA LEU 23 HA LEU 23 14.596 -0.744 -0.911
197 HB2 LEU 23 2HB LEU 23 12.155 -1.252 -2.607
198 HB3 LEU 23 1HB LEU 23 13.599 -2.252 -2.750
199 HG LEU 23 HG LEU 23 12.321 -1.732 -0.061
200 HD11 LEU 23 1HD1 LEU 23 11.113 -3.876 -0.349
201 HD12 LEU 23 2HD1 LEU 23 11.689 -3.970 -2.016
202 HD13 LEU 23 3HD1 LEU 23 10.586 -2.676 -1.537
203 HD21 LEU 23 3HD2 LEU 23 14.330 -3.644 -1.239
204 HD22 LEU 23 1HD2 LEU 23 13.395 -4.135 0.171
205 HD23 LEU 23 2HD2 LEU 23 14.429 -2.710 0.255
206 H LYS 24 H LYS 24 12.950 0.611 -3.709
207 HA LYS 24 HA LYS 24 15.008 0.335 -5.581
208 HB2 LYS 24 2HB LYS 24 12.457 1.312 -5.647
209 HB3 LYS 24 1HB LYS 24 13.387 2.801 -5.798
210 HG2 LYS 24 2HG LYS 24 13.639 0.344 -7.567
211 HG3 LYS 24 1HG LYS 24 12.888 1.871 -8.014
212 HD2 LYS 24 2HD LYS 24 15.810 1.536 -7.255
213 HD3 LYS 24 1HD LYS 24 15.204 1.664 -8.901
214 HE2 LYS 24 2HE LYS 24 15.057 3.915 -8.764
215 HE3 LYS 24 1HE LYS 24 14.177 3.831 -7.243
216 HZ1 LYS 24 3HZ LYS 24 16.045 4.715 -6.394
217 HZ2 LYS 24 1HZ LYS 24 16.999 4.241 -7.718
218 HZ3 LYS 24 2HZ LYS 24 16.656 3.125 -6.481
219 H LYS 25 H LYS 25 14.327 2.827 -3.238
220 HA LYS 25 HA LYS 25 15.810 4.274 -2.183
221 HB2 LYS 25 2HB LYS 25 17.733 2.817 -2.985
222 HB3 LYS 25 1HB LYS 25 17.778 3.820 -4.435
223 HG2 LYS 25 2HG LYS 25 17.692 5.670 -2.341
224 HG3 LYS 25 1HG LYS 25 18.773 4.409 -1.753
225 HD2 LYS 25 2HD LYS 25 20.318 5.630 -2.932
226 HD3 LYS 25 1HD LYS 25 19.725 4.634 -4.262
227 HE2 LYS 25 2HE LYS 25 19.700 6.936 -5.008
228 HE3 LYS 25 1HE LYS 25 18.028 6.443 -4.749
229 HZ1 LYS 25 3HZ LYS 25 19.425 8.549 -3.547
230 HZ2 LYS 25 1HZ LYS 25 19.032 7.436 -2.331
231 HZ3 LYS 25 2HZ LYS 25 17.800 8.099 -3.313
232 H ALA 26 H ALA 26 14.772 6.139 -2.414
233 HA ALA 26 HA ALA 26 14.157 7.297 -4.964
234 HB1 ALA 26 1HB ALA 26 12.827 8.719 -3.782
235 HB2 ALA 26 2HB ALA 26 14.060 9.015 -2.558
236 HB3 ALA 26 3HB ALA 26 13.083 7.548 -2.483
Start of MODEL 9
1 H1 LYS 1 1HT LYS 1 -25.784 -3.619 -0.954
2 H2 LYS 1 2HT LYS 1 -27.298 -3.031 -0.463
3 H3 LYS 1 3HT LYS 1 -26.238 -3.707 0.670
4 HA LYS 1 HA LYS 1 -26.100 -1.100 -0.682
5 HB2 LYS 1 2HB LYS 1 -26.023 -2.156 2.140
6 HB3 LYS 1 1HB LYS 1 -25.361 -0.566 1.771
7 HG2 LYS 1 2HG LYS 1 -27.968 -0.933 0.521
8 HG3 LYS 1 1HG LYS 1 -28.056 -1.183 2.265
9 HD2 LYS 1 2HD LYS 1 -26.390 1.097 1.785
10 HD3 LYS 1 1HD LYS 1 -27.865 1.294 0.843
11 HE2 LYS 1 2HE LYS 1 -27.655 0.798 3.828
12 HE3 LYS 1 1HE LYS 1 -28.279 2.238 3.027
13 HZ1 LYS 1 2HZ LYS 1 -29.822 0.362 1.946
14 HZ2 LYS 1 3HZ LYS 1 -30.234 1.214 3.354
15 HZ3 LYS 1 1HZ LYS 1 -29.554 -0.333 3.473
16 H LYS 2 H LYS 2 -24.304 -1.151 -1.966
17 HA LYS 2 HA LYS 2 -21.837 -2.353 -0.971
18 HB2 LYS 2 2HB LYS 2 -22.951 -1.983 -3.520
19 HB3 LYS 2 1HB LYS 2 -21.570 -0.892 -3.463
20 HG2 LYS 2 2HG LYS 2 -21.252 -3.704 -2.450
21 HG3 LYS 2 1HG LYS 2 -21.232 -3.402 -4.187
22 HD2 LYS 2 2HD LYS 2 -19.548 -1.626 -2.474
23 HD3 LYS 2 1HD LYS 2 -18.993 -3.284 -2.720
24 HE2 LYS 2 2HE LYS 2 -18.967 -3.022 -5.104
25 HE3 LYS 2 1HE LYS 2 -19.833 -1.488 -5.016
26 HZ1 LYS 2 3HZ LYS 2 -17.600 -0.924 -5.328
27 HZ2 LYS 2 1HZ LYS 2 -17.049 -2.070 -4.204
28 HZ3 LYS 2 2HZ LYS 2 -17.863 -0.679 -3.666
29 H ALA 3 H ALA 3 -20.133 -1.255 -0.209
30 HA ALA 3 HA ALA 3 -20.454 1.593 0.283
31 HB1 ALA 3 1HB ALA 3 -18.950 1.317 1.952
32 HB2 ALA 3 2HB ALA 3 -17.894 0.300 0.977
33 HB3 ALA 3 3HB ALA 3 -19.317 -0.394 1.751
34 H LEU 4 H LEU 4 -19.075 3.207 -0.483
35 HA LEU 4 HA LEU 4 -18.083 2.837 -3.127
36 HB2 LEU 4 2HB LEU 4 -17.648 5.084 -1.138
37 HB3 LEU 4 1HB LEU 4 -17.159 5.142 -2.831
38 HG LEU 4 HG LEU 4 -20.002 4.605 -1.937
39 HD11 LEU 4 1HD1 LEU 4 -20.295 7.015 -2.835
40 HD12 LEU 4 2HD1 LEU 4 -18.558 7.173 -2.579
41 HD13 LEU 4 3HD1 LEU 4 -19.621 6.817 -1.217
42 HD21 LEU 4 3HD2 LEU 4 -18.593 5.073 -4.552
43 HD22 LEU 4 1HD2 LEU 4 -20.294 5.491 -4.383
44 HD23 LEU 4 2HD2 LEU 4 -19.768 3.827 -4.135
45 H LEU 5 H LEU 5 -16.156 4.206 -0.547
46 HA LEU 5 HA LEU 5 -13.810 4.107 -0.338
47 HB2 LEU 5 2HB LEU 5 -15.155 1.612 0.579
48 HB3 LEU 5 1HB LEU 5 -13.390 1.623 0.552
49 HG LEU 5 HG LEU 5 -13.291 3.541 1.998
50 HD11 LEU 5 1HD1 LEU 5 -15.586 4.421 2.895
51 HD12 LEU 5 2HD1 LEU 5 -16.238 3.740 1.409
52 HD13 LEU 5 3HD1 LEU 5 -15.002 4.993 1.332
53 HD21 LEU 5 3HD2 LEU 5 -15.503 1.789 3.102
54 HD22 LEU 5 1HD2 LEU 5 -14.265 2.659 4.010
55 HD23 LEU 5 2HD2 LEU 5 -13.816 1.272 3.013
56 H ALA 6 H ALA 6 -14.073 0.723 -1.163
57 HA ALA 6 HA ALA 6 -13.101 -0.581 -2.768
58 HB1 ALA 6 1HB ALA 6 -12.735 0.352 -5.009
59 HB2 ALA 6 2HB ALA 6 -12.994 1.978 -4.384
60 HB3 ALA 6 3HB ALA 6 -14.318 0.815 -4.388
61 H LEU 7 H LEU 7 -11.501 2.597 -2.691
62 HA LEU 7 HA LEU 7 -8.893 1.509 -3.153
63 HB2 LEU 7 2HB LEU 7 -9.980 4.201 -2.389
64 HB3 LEU 7 1HB LEU 7 -8.255 3.885 -2.197
65 HG LEU 7 HG LEU 7 -8.872 4.866 -4.446
66 HD11 LEU 7 1HD1 LEU 7 -6.886 3.265 -3.903
67 HD12 LEU 7 2HD1 LEU 7 -7.292 3.562 -5.594
68 HD13 LEU 7 3HD1 LEU 7 -7.812 2.073 -4.807
69 HD21 LEU 7 3HD2 LEU 7 -10.114 3.604 -6.024
70 HD22 LEU 7 1HD2 LEU 7 -11.032 3.429 -4.523
71 HD23 LEU 7 2HD2 LEU 7 -9.980 2.126 -5.071
72 H ALA 8 H ALA 8 -9.464 -0.157 -1.444
73 HA ALA 8 HA ALA 8 -8.495 0.730 1.221
74 HB1 ALA 8 1HB ALA 8 -10.520 -0.181 1.792
75 HB2 ALA 8 2HB ALA 8 -9.581 -1.673 1.738
76 HB3 ALA 8 3HB ALA 8 -10.579 -1.207 0.359
77 H LEU 9 H LEU 9 -8.070 -1.314 -1.482
78 HA LEU 9 HA LEU 9 -6.097 -3.033 -0.181
79 HB2 LEU 9 2HB LEU 9 -6.665 -3.045 -3.104
80 HB3 LEU 9 1HB LEU 9 -6.221 -4.383 -2.047
81 HG LEU 9 HG LEU 9 -8.896 -2.946 -2.119
82 HD11 LEU 9 1HD1 LEU 9 -9.161 -4.471 -3.797
83 HD12 LEU 9 2HD1 LEU 9 -9.423 -5.581 -2.459
84 HD13 LEU 9 3HD1 LEU 9 -7.841 -5.491 -3.225
85 HD21 LEU 9 3HD2 LEU 9 -9.470 -4.869 -0.474
86 HD22 LEU 9 1HD2 LEU 9 -8.584 -3.481 0.158
87 HD23 LEU 9 2HD2 LEU 9 -7.730 -4.976 -0.216
88 H HIS 10 H HIS 10 -6.286 -0.881 -2.967
89 HA HIS 10 HA HIS 10 -3.682 -0.775 -3.832
90 HB2 HIS 10 2HB HIS 10 -5.845 1.251 -3.588
91 HB3 HIS 10 1HB HIS 10 -4.220 1.863 -3.872
92 HD1 HIS 10 1HD HIS 10 -3.009 1.073 -6.086
93 HD2 HIS 10 2HD HIS 10 -7.026 -0.034 -5.788
94 HE1 HIS 10 1HE HIS 10 -3.741 0.387 -8.416
95 HE2 HIS 10 2HE HIS 10 -6.192 -0.309 -8.250
96 H HIS 11 H HIS 11 -5.149 0.476 -1.002
97 HA HIS 11 HA HIS 11 -3.422 2.170 0.220
98 HB2 HIS 11 2HB HIS 11 -5.295 0.053 1.009
99 HB3 HIS 11 1HB HIS 11 -4.026 0.344 2.205
100 HD1 HIS 11 1HD HIS 11 -4.974 1.895 3.940
101 HD2 HIS 11 2HD HIS 11 -6.102 3.030 0.081
102 HE1 HIS 11 1HE HIS 11 -6.266 4.064 4.168
103 HE2 HIS 11 2HE HIS 11 -6.939 4.779 1.830
104 H LEU 12 H LEU 12 -3.255 -1.301 0.019
105 HA LEU 12 HA LEU 12 -0.828 -1.649 1.477
106 HB2 LEU 12 2HB LEU 12 -1.952 -3.486 -0.646
107 HB3 LEU 12 1HB LEU 12 -0.898 -3.920 0.698
108 HG LEU 12 HG LEU 12 -3.656 -2.738 1.118
109 HD11 LEU 12 1HD1 LEU 12 -3.081 -5.671 1.430
110 HD12 LEU 12 2HD1 LEU 12 -3.478 -5.033 -0.167
111 HD13 LEU 12 3HD1 LEU 12 -4.626 -4.856 1.160
112 HD21 LEU 12 3HD2 LEU 12 -3.339 -3.948 3.345
113 HD22 LEU 12 1HD2 LEU 12 -2.270 -2.567 3.082
114 HD23 LEU 12 2HD2 LEU 12 -1.664 -4.208 2.869
115 H ALA 13 H ALA 13 -1.708 -1.610 -1.902
116 HA ALA 13 HA ALA 13 0.857 -1.909 -3.025
117 HB1 ALA 13 1HB ALA 13 -1.345 -0.176 -4.166
118 HB2 ALA 13 2HB ALA 13 -1.340 -1.934 -4.286
119 HB3 ALA 13 3HB ALA 13 -0.060 -0.994 -5.050
120 H HIS 14 H HIS 14 -0.781 0.770 -1.589
121 HA HIS 14 HA HIS 14 1.012 2.819 -2.453
122 HB2 HIS 14 2HB HIS 14 -0.803 3.905 -1.792
123 HB3 HIS 14 1HB HIS 14 -1.373 2.580 -0.808
124 HD1 HIS 14 1HD HIS 14 1.444 5.166 -0.569
125 HD2 HIS 14 2HD HIS 14 -1.417 3.315 1.838
126 HE1 HIS 14 1HE HIS 14 1.715 6.146 1.752
127 HE2 HIS 14 2HE HIS 14 -0.033 5.040 3.232
128 H LEU 15 H LEU 15 0.617 0.986 0.535
129 HA LEU 15 HA LEU 15 2.835 2.083 1.922
130 HB2 LEU 15 2HB LEU 15 1.343 -0.529 2.015
131 HB3 LEU 15 1HB LEU 15 2.878 -0.408 2.861
132 HG LEU 15 HG LEU 15 1.865 0.606 4.579
133 HD11 LEU 15 1HD1 LEU 15 0.492 2.741 4.176
134 HD12 LEU 15 2HD1 LEU 15 0.955 2.574 2.485
135 HD13 LEU 15 3HD1 LEU 15 2.194 2.790 3.720
136 HD21 LEU 15 3HD2 LEU 15 -0.576 0.656 4.669
137 HD22 LEU 15 1HD2 LEU 15 -0.039 -0.822 3.874
138 HD23 LEU 15 2HD2 LEU 15 -0.658 0.519 2.914
139 H ALA 16 H ALA 16 2.313 -0.265 -0.467
140 HA ALA 16 HA ALA 16 4.977 -1.349 -0.513
141 HB1 ALA 16 1HB ALA 16 2.689 -2.271 -1.520
142 HB2 ALA 16 2HB ALA 16 4.245 -2.700 -2.230
143 HB3 ALA 16 3HB ALA 16 3.271 -1.423 -2.954
144 H LEU 17 H LEU 17 3.333 1.301 -2.022
145 HA LEU 17 HA LEU 17 5.119 1.866 -4.101
146 HB2 LEU 17 2HB LEU 17 3.383 3.248 -4.453
147 HB3 LEU 17 1HB LEU 17 2.918 3.218 -2.766
148 HG LEU 17 HG LEU 17 5.367 4.789 -3.325
149 HD11 LEU 17 1HD1 LEU 17 2.649 5.685 -4.331
150 HD12 LEU 17 2HD1 LEU 17 4.043 5.299 -5.341
151 HD13 LEU 17 3HD1 LEU 17 4.096 6.690 -4.258
152 HD21 LEU 17 3HD2 LEU 17 3.874 6.428 -1.940
153 HD22 LEU 17 1HD2 LEU 17 4.503 4.988 -1.139
154 HD23 LEU 17 2HD2 LEU 17 2.836 5.023 -1.707
155 H HIS 18 H HIS 18 5.075 3.143 -0.773
156 HA HIS 18 HA HIS 18 7.551 4.553 -1.267
157 HB2 HIS 18 2HB HIS 18 7.543 5.131 1.055
158 HB3 HIS 18 1HB HIS 18 5.920 5.274 0.421
159 HD1 HIS 18 1HD HIS 18 7.959 3.286 2.822
160 HD2 HIS 18 2HD HIS 18 4.057 3.399 1.357
161 HE1 HIS 18 1HE HIS 18 6.576 1.839 4.372
162 HE2 HIS 18 2HE HIS 18 4.190 1.900 3.510
163 H LEU 19 H LEU 19 6.569 1.610 0.287
164 HA LEU 19 HA LEU 19 9.018 0.654 1.247
165 HB2 LEU 19 2HB LEU 19 6.468 -0.496 0.508
166 HB3 LEU 19 1HB LEU 19 7.775 -1.536 -0.044
167 HG LEU 19 HG LEU 19 7.124 -2.160 2.203
168 HD11 LEU 19 1HD1 LEU 19 9.741 -1.421 1.424
169 HD12 LEU 19 2HD1 LEU 19 9.289 -2.577 2.675
170 HD13 LEU 19 3HD1 LEU 19 9.553 -0.885 3.091
171 HD21 LEU 19 3HD2 LEU 19 6.151 -0.041 2.928
172 HD22 LEU 19 1HD2 LEU 19 7.739 0.721 2.886
173 HD23 LEU 19 2HD2 LEU 19 7.395 -0.531 4.075
174 H ALA 20 H ALA 20 7.683 0.987 -1.898
175 HA ALA 20 HA ALA 20 9.590 -0.536 -3.389
176 HB1 ALA 20 1HB ALA 20 8.469 1.861 -4.698
177 HB2 ALA 20 2HB ALA 20 7.268 0.750 -4.044
178 HB3 ALA 20 3HB ALA 20 8.444 0.180 -5.226
179 H LEU 21 H LEU 21 9.203 2.951 -3.029
180 HA LEU 21 HA LEU 21 11.638 3.764 -4.095
181 HB2 LEU 21 2HB LEU 21 9.754 4.929 -2.091
182 HB3 LEU 21 1HB LEU 21 11.357 5.647 -2.228
183 HG LEU 21 HG LEU 21 9.749 6.792 -3.716
184 HD11 LEU 21 1HD1 LEU 21 11.497 5.187 -5.561
185 HD12 LEU 21 2HD1 LEU 21 12.252 6.212 -4.338
186 HD13 LEU 21 3HD1 LEU 21 11.181 6.923 -5.548
187 HD21 LEU 21 3HD2 LEU 21 8.292 4.765 -4.075
188 HD22 LEU 21 1HD2 LEU 21 9.523 4.139 -5.169
189 HD23 LEU 21 2HD2 LEU 21 8.681 5.636 -5.554
190 H ALA 22 H ALA 22 10.754 2.792 -0.852
191 HA ALA 22 HA ALA 22 13.219 3.195 0.433
192 HB1 ALA 22 1HB ALA 22 11.506 0.833 1.116
193 HB2 ALA 22 2HB ALA 22 10.879 2.454 1.392
194 HB3 ALA 22 3HB ALA 22 12.358 1.935 2.196
195 H LEU 23 H LEU 23 11.918 0.488 -1.389
196 HA LEU 23 HA LEU 23 14.179 -1.223 -1.057
197 HB2 LEU 23 2HB LEU 23 11.847 -1.918 -1.827
198 HB3 LEU 23 1HB LEU 23 12.273 -1.247 -3.396
199 HG LEU 23 HG LEU 23 14.402 -2.737 -3.213
200 HD11 LEU 23 1HD1 LEU 23 12.728 -4.619 -1.626
201 HD12 LEU 23 2HD1 LEU 23 13.464 -3.294 -0.726
202 HD13 LEU 23 3HD1 LEU 23 14.476 -4.406 -1.643
203 HD21 LEU 23 3HD2 LEU 23 13.266 -4.538 -4.327
204 HD22 LEU 23 1HD2 LEU 23 12.418 -3.057 -4.764
205 HD23 LEU 23 2HD2 LEU 23 11.734 -4.143 -3.555
206 H LYS 24 H LYS 24 13.052 0.867 -3.657
207 HA LYS 24 HA LYS 24 15.176 0.589 -5.441
208 HB2 LYS 24 2HB LYS 24 13.047 1.883 -5.843
209 HB3 LYS 24 1HB LYS 24 13.717 3.176 -4.851
210 HG2 LYS 24 2HG LYS 24 15.520 2.190 -6.982
211 HG3 LYS 24 1HG LYS 24 14.057 2.989 -7.556
212 HD2 LYS 24 2HD LYS 24 14.779 5.025 -6.891
213 HD3 LYS 24 1HD LYS 24 15.322 4.417 -5.329
214 HE2 LYS 24 2HE LYS 24 17.190 5.289 -6.735
215 HE3 LYS 24 1HE LYS 24 17.385 3.595 -6.301
216 HZ1 LYS 24 3HZ LYS 24 17.271 4.715 -8.860
217 HZ2 LYS 24 1HZ LYS 24 15.912 3.719 -8.676
218 HZ3 LYS 24 2HZ LYS 24 17.465 3.086 -8.428
219 H LYS 25 H LYS 25 14.755 2.687 -2.674
220 HA LYS 25 HA LYS 25 16.190 4.071 -1.514
221 HB2 LYS 25 2HB LYS 25 16.831 1.492 -1.189
222 HB3 LYS 25 1HB LYS 25 18.352 2.075 -1.861
223 HG2 LYS 25 2HG LYS 25 17.896 4.049 -0.077
224 HG3 LYS 25 1HG LYS 25 17.046 2.739 0.739
225 HD2 LYS 25 2HD LYS 25 18.965 1.548 1.144
226 HD3 LYS 25 1HD LYS 25 19.750 2.095 -0.337
227 HE2 LYS 25 2HE LYS 25 19.336 3.752 2.173
228 HE3 LYS 25 1HE LYS 25 20.865 3.059 1.634
229 HZ1 LYS 25 3HZ LYS 25 20.784 5.326 0.957
230 HZ2 LYS 25 1HZ LYS 25 19.257 5.140 0.255
231 HZ3 LYS 25 2HZ LYS 25 20.615 4.375 -0.445
232 H ALA 26 H ALA 26 19.075 3.982 -1.636
233 HA ALA 26 HA ALA 26 19.825 4.923 -4.293
234 HB1 ALA 26 1HB ALA 26 20.213 6.765 -1.930
235 HB2 ALA 26 2HB ALA 26 18.784 6.874 -2.957
236 HB3 ALA 26 3HB ALA 26 20.387 7.139 -3.643
Start of MODEL 10
1 H1 LYS 1 1HT LYS 1 -19.709 8.006 -12.281
2 H2 LYS 1 2HT LYS 1 -18.953 7.316 -10.928
3 H3 LYS 1 3HT LYS 1 -20.648 7.408 -11.006
4 HA LYS 1 HA LYS 1 -20.556 5.319 -11.701
5 HB2 LYS 1 2HB LYS 1 -20.213 5.098 -14.158
6 HB3 LYS 1 1HB LYS 1 -21.203 6.500 -13.756
7 HG2 LYS 1 2HG LYS 1 -19.439 8.021 -14.175
8 HG3 LYS 1 1HG LYS 1 -18.211 6.754 -14.107
9 HD2 LYS 1 2HD LYS 1 -18.954 5.814 -16.199
10 HD3 LYS 1 1HD LYS 1 -20.385 6.846 -16.214
11 HE2 LYS 1 2HE LYS 1 -18.266 7.496 -17.650
12 HE3 LYS 1 1HE LYS 1 -19.177 8.746 -16.807
13 HZ1 LYS 1 2HZ LYS 1 -16.825 8.994 -16.411
14 HZ2 LYS 1 3HZ LYS 1 -16.715 7.409 -15.816
15 HZ3 LYS 1 1HZ LYS 1 -17.599 8.576 -14.967
16 H LYS 2 H LYS 2 -18.559 4.524 -13.922
17 HA LYS 2 HA LYS 2 -16.597 3.346 -14.013
18 HB2 LYS 2 2HB LYS 2 -15.943 5.904 -13.203
19 HB3 LYS 2 1HB LYS 2 -15.182 4.920 -11.962
20 HG2 LYS 2 2HG LYS 2 -14.839 4.501 -14.948
21 HG3 LYS 2 1HG LYS 2 -13.684 5.342 -13.920
22 HD2 LYS 2 2HD LYS 2 -13.308 3.322 -12.607
23 HD3 LYS 2 1HD LYS 2 -14.559 2.462 -13.502
24 HE2 LYS 2 2HE LYS 2 -12.013 3.595 -14.702
25 HE3 LYS 2 1HE LYS 2 -12.300 1.896 -14.338
26 HZ1 LYS 2 3HZ LYS 2 -14.395 3.055 -15.912
27 HZ2 LYS 2 1HZ LYS 2 -13.495 1.648 -16.184
28 HZ3 LYS 2 2HZ LYS 2 -12.887 3.156 -16.678
29 H ALA 3 H ALA 3 -14.797 3.391 -11.476
30 HA ALA 3 HA ALA 3 -16.224 1.180 -10.153
31 HB1 ALA 3 1HB ALA 3 -13.967 0.643 -9.207
32 HB2 ALA 3 2HB ALA 3 -13.298 1.956 -10.179
33 HB3 ALA 3 3HB ALA 3 -14.037 0.559 -10.967
34 H LEU 4 H LEU 4 -17.551 2.223 -8.687
35 HA LEU 4 HA LEU 4 -16.845 4.435 -7.103
36 HB2 LEU 4 2HB LEU 4 -19.170 3.360 -7.441
37 HB3 LEU 4 1HB LEU 4 -18.688 2.212 -6.197
38 HG LEU 4 HG LEU 4 -20.008 4.244 -5.390
39 HD11 LEU 4 1HD1 LEU 4 -19.026 4.013 -3.349
40 HD12 LEU 4 2HD1 LEU 4 -17.416 4.393 -3.967
41 HD13 LEU 4 3HD1 LEU 4 -18.079 2.767 -4.161
42 HD21 LEU 4 3HD2 LEU 4 -18.477 5.755 -6.938
43 HD22 LEU 4 1HD2 LEU 4 -17.422 5.767 -5.524
44 HD23 LEU 4 2HD2 LEU 4 -19.073 6.375 -5.400
45 H LEU 5 H LEU 5 -15.685 4.605 -5.234
46 HA LEU 5 HA LEU 5 -14.268 4.030 -3.516
47 HB2 LEU 5 2HB LEU 5 -15.762 2.713 -2.351
48 HB3 LEU 5 1HB LEU 5 -16.054 1.642 -3.713
49 HG LEU 5 HG LEU 5 -13.812 0.632 -3.387
50 HD11 LEU 5 1HD1 LEU 5 -13.681 2.751 -1.266
51 HD12 LEU 5 2HD1 LEU 5 -12.441 2.225 -2.397
52 HD13 LEU 5 3HD1 LEU 5 -12.839 1.226 -1.008
53 HD21 LEU 5 3HD2 LEU 5 -15.608 0.706 -0.943
54 HD22 LEU 5 1HD2 LEU 5 -14.344 -0.496 -1.216
55 HD23 LEU 5 2HD2 LEU 5 -15.729 -0.410 -2.305
56 H ALA 6 H ALA 6 -14.565 1.179 -5.611
57 HA ALA 6 HA ALA 6 -13.048 -0.071 -6.771
58 HB1 ALA 6 1HB ALA 6 -11.534 2.541 -6.932
59 HB2 ALA 6 2HB ALA 6 -12.847 2.062 -8.001
60 HB3 ALA 6 3HB ALA 6 -11.343 1.148 -7.997
61 H LEU 7 H LEU 7 -10.919 2.187 -5.017
62 HA LEU 7 HA LEU 7 -8.855 0.359 -4.705
63 HB2 LEU 7 2HB LEU 7 -7.915 1.827 -3.026
64 HB3 LEU 7 1HB LEU 7 -8.566 2.775 -4.359
65 HG LEU 7 HG LEU 7 -10.681 3.064 -2.974
66 HD11 LEU 7 1HD1 LEU 7 -9.867 2.823 -0.402
67 HD12 LEU 7 2HD1 LEU 7 -9.014 1.464 -1.120
68 HD13 LEU 7 3HD1 LEU 7 -10.764 1.567 -1.246
69 HD21 LEU 7 3HD2 LEU 7 -9.805 4.934 -1.850
70 HD22 LEU 7 1HD2 LEU 7 -8.648 4.671 -3.154
71 HD23 LEU 7 2HD2 LEU 7 -8.271 4.130 -1.517
72 H ALA 8 H ALA 8 -7.951 -0.427 -2.677
73 HA ALA 8 HA ALA 8 -9.251 -1.027 -0.328
74 HB1 ALA 8 1HB ALA 8 -9.505 -3.564 -1.815
75 HB2 ALA 8 2HB ALA 8 -10.663 -2.329 -2.285
76 HB3 ALA 8 3HB ALA 8 -10.576 -2.859 -0.611
77 H LEU 9 H LEU 9 -7.422 -2.491 -2.919
78 HA LEU 9 HA LEU 9 -5.533 -3.733 -1.063
79 HB2 LEU 9 2HB LEU 9 -5.916 -3.779 -4.029
80 HB3 LEU 9 1HB LEU 9 -4.439 -4.378 -3.286
81 HG LEU 9 HG LEU 9 -5.521 -6.178 -2.266
82 HD11 LEU 9 1HD1 LEU 9 -8.008 -6.267 -1.971
83 HD12 LEU 9 2HD1 LEU 9 -8.101 -4.620 -2.599
84 HD13 LEU 9 3HD1 LEU 9 -7.258 -4.941 -1.083
85 HD21 LEU 9 3HD2 LEU 9 -7.461 -5.870 -4.531
86 HD22 LEU 9 1HD2 LEU 9 -6.555 -7.297 -4.026
87 HD23 LEU 9 2HD2 LEU 9 -5.741 -5.992 -4.889
88 H HIS 10 H HIS 10 -5.575 -1.443 -3.737
89 HA HIS 10 HA HIS 10 -3.000 -0.601 -3.991
90 HB2 HIS 10 2HB HIS 10 -5.612 0.736 -4.147
91 HB3 HIS 10 1HB HIS 10 -4.265 1.827 -3.852
92 HD1 HIS 10 1HD HIS 10 -2.328 1.863 -5.660
93 HD2 HIS 10 2HD HIS 10 -5.684 -0.375 -6.743
94 HE1 HIS 10 1HE HIS 10 -2.116 1.396 -8.144
95 HE2 HIS 10 2HE HIS 10 -4.147 0.027 -8.817
96 H HIS 11 H HIS 11 -5.225 -0.018 -1.448
97 HA HIS 11 HA HIS 11 -4.201 1.857 0.206
98 HB2 HIS 11 2HB HIS 11 -5.587 -0.738 0.468
99 HB3 HIS 11 1HB HIS 11 -4.754 -0.203 1.928
100 HD1 HIS 11 1HD HIS 11 -5.301 2.510 2.512
101 HD2 HIS 11 2HD HIS 11 -8.084 0.361 0.271
102 HE1 HIS 11 1HE HIS 11 -7.497 3.768 2.688
103 HE2 HIS 11 2HE HIS 11 -9.209 2.462 1.339
104 H LEU 12 H LEU 12 -3.204 -1.463 -0.137
105 HA LEU 12 HA LEU 12 -0.954 -1.251 1.655
106 HB2 LEU 12 2HB LEU 12 -1.617 -3.392 -0.385
107 HB3 LEU 12 1HB LEU 12 -0.466 -3.538 0.945
108 HG LEU 12 HG LEU 12 -3.157 -2.668 1.789
109 HD11 LEU 12 1HD1 LEU 12 -4.398 -4.517 1.228
110 HD12 LEU 12 2HD1 LEU 12 -2.995 -5.579 1.178
111 HD13 LEU 12 3HD1 LEU 12 -3.328 -4.499 -0.175
112 HD21 LEU 12 3HD2 LEU 12 -1.444 -5.010 2.673
113 HD22 LEU 12 1HD2 LEU 12 -2.717 -4.209 3.594
114 HD23 LEU 12 2HD2 LEU 12 -1.208 -3.362 3.255
115 H ALA 13 H ALA 13 -1.490 -1.521 -1.794
116 HA ALA 13 HA ALA 13 1.094 -1.473 -2.777
117 HB1 ALA 13 1HB ALA 13 0.213 -0.697 -4.826
118 HB2 ALA 13 2HB ALA 13 -1.048 0.238 -4.029
119 HB3 ALA 13 3HB ALA 13 -1.153 -1.524 -4.080
120 H HIS 14 H HIS 14 -0.824 1.073 -1.402
121 HA HIS 14 HA HIS 14 0.825 3.280 -2.067
122 HB2 HIS 14 2HB HIS 14 -1.210 3.984 -1.365
123 HB3 HIS 14 1HB HIS 14 -1.396 2.700 -0.197
124 HD1 HIS 14 1HD HIS 14 0.993 5.675 -0.565
125 HD2 HIS 14 2HD HIS 14 -1.336 3.752 2.315
126 HE1 HIS 14 1HE HIS 14 1.328 6.949 1.603
127 HE2 HIS 14 2HE HIS 14 -0.054 5.764 3.380
128 H LEU 15 H LEU 15 0.486 1.415 0.914
129 HA LEU 15 HA LEU 15 2.750 2.523 2.231
130 HB2 LEU 15 2HB LEU 15 1.321 -0.139 2.438
131 HB3 LEU 15 1HB LEU 15 2.733 0.226 3.421
132 HG LEU 15 HG LEU 15 1.166 0.977 4.884
133 HD11 LEU 15 1HD1 LEU 15 2.382 3.017 4.149
134 HD12 LEU 15 2HD1 LEU 15 0.741 3.369 4.686
135 HD13 LEU 15 3HD1 LEU 15 1.111 3.315 2.964
136 HD21 LEU 15 3HD2 LEU 15 -0.619 0.212 3.133
137 HD22 LEU 15 1HD2 LEU 15 -0.731 1.929 2.765
138 HD23 LEU 15 2HD2 LEU 15 -1.090 1.354 4.387
139 H ALA 16 H ALA 16 2.168 0.078 -0.053
140 HA ALA 16 HA ALA 16 4.806 -1.070 -0.016
141 HB1 ALA 16 1HB ALA 16 3.165 -1.194 -2.499
142 HB2 ALA 16 2HB ALA 16 2.493 -1.942 -1.049
143 HB3 ALA 16 3HB ALA 16 4.052 -2.474 -1.675
144 H LEU 17 H LEU 17 3.296 1.613 -1.544
145 HA LEU 17 HA LEU 17 5.040 2.068 -3.685
146 HB2 LEU 17 2HB LEU 17 3.686 3.816 -4.064
147 HB3 LEU 17 1HB LEU 17 2.778 3.271 -2.664
148 HG LEU 17 HG LEU 17 4.350 4.729 -1.260
149 HD11 LEU 17 1HD1 LEU 17 5.980 5.930 -2.262
150 HD12 LEU 17 2HD1 LEU 17 4.850 6.556 -3.459
151 HD13 LEU 17 3HD1 LEU 17 5.661 5.018 -3.736
152 HD21 LEU 17 3HD2 LEU 17 1.971 5.261 -2.011
153 HD22 LEU 17 1HD2 LEU 17 2.699 6.247 -3.277
154 HD23 LEU 17 2HD2 LEU 17 2.975 6.645 -1.583
155 H HIS 18 H HIS 18 5.134 3.382 -0.389
156 HA HIS 18 HA HIS 18 7.634 4.731 -0.964
157 HB2 HIS 18 2HB HIS 18 7.690 5.368 1.330
158 HB3 HIS 18 1HB HIS 18 6.047 5.509 0.743
159 HD1 HIS 18 1HD HIS 18 8.104 3.723 3.244
160 HD2 HIS 18 2HD HIS 18 4.249 3.509 1.663
161 HE1 HIS 18 1HE HIS 18 6.734 2.351 4.886
162 HE2 HIS 18 2HE HIS 18 4.385 2.173 3.921
163 H LEU 19 H LEU 19 6.662 1.825 0.684
164 HA LEU 19 HA LEU 19 9.232 0.950 1.509
165 HB2 LEU 19 2HB LEU 19 6.853 -0.695 0.594
166 HB3 LEU 19 1HB LEU 19 8.261 -1.331 1.443
167 HG LEU 19 HG LEU 19 6.549 0.886 2.555
168 HD11 LEU 19 1HD1 LEU 19 6.399 -2.060 3.226
169 HD12 LEU 19 2HD1 LEU 19 5.257 -1.240 2.162
170 HD13 LEU 19 3HD1 LEU 19 5.375 -0.771 3.856
171 HD21 LEU 19 3HD2 LEU 19 7.658 0.247 4.650
172 HD22 LEU 19 1HD2 LEU 19 8.857 0.641 3.421
173 HD23 LEU 19 2HD2 LEU 19 8.519 -1.044 3.810
174 H ALA 20 H ALA 20 7.517 1.064 -1.451
175 HA ALA 20 HA ALA 20 9.159 -0.736 -2.979
176 HB1 ALA 20 1HB ALA 20 7.317 -0.396 -4.260
177 HB2 ALA 20 2HB ALA 20 8.191 1.015 -4.847
178 HB3 ALA 20 3HB ALA 20 7.009 1.189 -3.559
179 H LEU 21 H LEU 21 8.919 2.778 -2.962
180 HA LEU 21 HA LEU 21 11.124 3.409 -4.499
181 HB2 LEU 21 2HB LEU 21 9.418 5.004 -3.429
182 HB3 LEU 21 1HB LEU 21 10.431 4.933 -1.987
183 HG LEU 21 HG LEU 21 12.389 5.616 -3.417
184 HD11 LEU 21 1HD1 LEU 21 11.765 5.049 -5.631
185 HD12 LEU 21 2HD1 LEU 21 11.611 6.808 -5.600
186 HD13 LEU 21 3HD1 LEU 21 10.170 5.794 -5.464
187 HD21 LEU 21 3HD2 LEU 21 10.098 7.599 -3.551
188 HD22 LEU 21 1HD2 LEU 21 11.814 7.956 -3.398
189 HD23 LEU 21 2HD2 LEU 21 10.946 7.215 -2.051
190 H ALA 22 H ALA 22 10.962 2.911 -1.030
191 HA ALA 22 HA ALA 22 13.678 3.219 -0.431
192 HB1 ALA 22 1HB ALA 22 12.123 3.129 1.378
193 HB2 ALA 22 2HB ALA 22 13.156 1.710 1.543
194 HB3 ALA 22 3HB ALA 22 11.535 1.546 0.875
195 H LEU 23 H LEU 23 11.887 0.498 -1.675
196 HA LEU 23 HA LEU 23 13.804 -1.518 -1.340
197 HB2 LEU 23 2HB LEU 23 11.288 -1.429 -2.396
198 HB3 LEU 23 1HB LEU 23 12.262 -1.622 -3.849
199 HG LEU 23 HG LEU 23 11.629 -3.819 -2.956
200 HD11 LEU 23 1HD1 LEU 23 13.739 -4.814 -3.118
201 HD12 LEU 23 2HD1 LEU 23 14.544 -3.493 -2.270
202 HD13 LEU 23 3HD1 LEU 23 13.989 -3.271 -3.930
203 HD21 LEU 23 3HD2 LEU 23 12.236 -2.546 -0.442
204 HD22 LEU 23 1HD2 LEU 23 13.229 -3.993 -0.617
205 HD23 LEU 23 2HD2 LEU 23 11.473 -4.108 -0.731
206 H LYS 24 H LYS 24 13.234 0.710 -4.010
207 HA LYS 24 HA LYS 24 15.696 -0.148 -5.323
208 HB2 LYS 24 2HB LYS 24 14.847 2.010 -6.778
209 HB3 LYS 24 1HB LYS 24 14.421 0.332 -7.114
210 HG2 LYS 24 2HG LYS 24 12.747 1.771 -5.101
211 HG3 LYS 24 1HG LYS 24 12.575 2.264 -6.782
212 HD2 LYS 24 2HD LYS 24 12.398 -0.289 -7.280
213 HD3 LYS 24 1HD LYS 24 12.051 -0.440 -5.557
214 HE2 LYS 24 2HE LYS 24 9.937 0.291 -5.856
215 HE3 LYS 24 1HE LYS 24 10.504 1.733 -6.692
216 HZ1 LYS 24 3HZ LYS 24 9.622 -0.827 -7.778
217 HZ2 LYS 24 1HZ LYS 24 10.885 -0.045 -8.594
218 HZ3 LYS 24 2HZ LYS 24 9.395 0.741 -8.381
219 H LYS 25 H LYS 25 14.344 2.997 -4.419
220 HA LYS 25 HA LYS 25 17.072 4.023 -4.041
221 HB2 LYS 25 2HB LYS 25 15.074 5.188 -5.395
222 HB3 LYS 25 1HB LYS 25 14.707 5.822 -3.789
223 HG2 LYS 25 2HG LYS 25 17.528 5.916 -4.847
224 HG3 LYS 25 1HG LYS 25 16.363 7.145 -5.323
225 HD2 LYS 25 2HD LYS 25 16.420 8.154 -3.293
226 HD3 LYS 25 1HD LYS 25 16.357 6.618 -2.432
227 HE2 LYS 25 2HE LYS 25 18.852 7.676 -3.797
228 HE3 LYS 25 1HE LYS 25 18.500 7.911 -2.084
229 HZ1 LYS 25 3HZ LYS 25 18.532 5.222 -3.317
230 HZ2 LYS 25 1HZ LYS 25 18.607 5.623 -1.666
231 HZ3 LYS 25 2HZ LYS 25 19.934 5.941 -2.690
232 H ALA 26 H ALA 26 17.551 3.100 -2.045
233 HA ALA 26 HA ALA 26 15.774 3.599 0.215
234 HB1 ALA 26 1HB ALA 26 18.507 2.363 0.409
235 HB2 ALA 26 2HB ALA 26 17.153 1.435 -0.228
236 HB3 ALA 26 3HB ALA 26 17.089 2.072 1.414
Start of MODEL 11
1 H1 LYS 1 1HT LYS 1 -21.056 7.692 -6.552
2 H2 LYS 1 2HT LYS 1 -20.903 6.716 -7.932
3 H3 LYS 1 3HT LYS 1 -20.683 8.392 -8.049
4 HA LYS 1 HA LYS 1 -18.829 6.349 -7.275
5 HB2 LYS 1 2HB LYS 1 -18.912 8.845 -8.745
6 HB3 LYS 1 1HB LYS 1 -17.598 8.893 -7.571
7 HG2 LYS 1 2HG LYS 1 -17.282 6.377 -8.556
8 HG3 LYS 1 1HG LYS 1 -17.932 7.189 -9.978
9 HD2 LYS 1 2HD LYS 1 -16.112 8.648 -10.145
10 HD3 LYS 1 1HD LYS 1 -15.732 8.527 -8.427
11 HE2 LYS 1 2HE LYS 1 -14.167 7.317 -10.111
12 HE3 LYS 1 1HE LYS 1 -14.684 6.434 -8.675
13 HZ1 LYS 1 2HZ LYS 1 -15.928 6.265 -11.370
14 HZ2 LYS 1 3HZ LYS 1 -16.450 5.422 -9.987
15 HZ3 LYS 1 1HZ LYS 1 -14.929 5.094 -10.656
16 H LYS 2 H LYS 2 -16.850 7.769 -6.035
17 HA LYS 2 HA LYS 2 -16.075 8.443 -3.994
18 HB2 LYS 2 2HB LYS 2 -18.338 10.083 -4.500
19 HB3 LYS 2 1HB LYS 2 -18.437 9.592 -2.808
20 HG2 LYS 2 2HG LYS 2 -15.708 10.321 -3.587
21 HG3 LYS 2 1HG LYS 2 -16.842 11.639 -3.844
22 HD2 LYS 2 2HD LYS 2 -16.160 11.946 -1.616
23 HD3 LYS 2 1HD LYS 2 -17.702 11.102 -1.452
24 HE2 LYS 2 2HE LYS 2 -15.826 9.044 -1.698
25 HE3 LYS 2 1HE LYS 2 -15.020 10.232 -0.676
26 HZ1 LYS 2 3HZ LYS 2 -16.222 9.382 0.968
27 HZ2 LYS 2 1HZ LYS 2 -17.244 8.529 -0.086
28 HZ3 LYS 2 2HZ LYS 2 -17.572 10.157 0.285
29 H ALA 3 H ALA 3 -19.467 7.922 -3.081
30 HA ALA 3 HA ALA 3 -20.393 6.548 -1.495
31 HB1 ALA 3 1HB ALA 3 -19.470 4.933 -3.360
32 HB2 ALA 3 2HB ALA 3 -20.050 4.282 -1.827
33 HB3 ALA 3 3HB ALA 3 -18.320 4.471 -2.104
34 H LEU 4 H LEU 4 -19.307 4.622 0.198
35 HA LEU 4 HA LEU 4 -17.498 6.285 1.839
36 HB2 LEU 4 2HB LEU 4 -18.340 4.631 3.694
37 HB3 LEU 4 1HB LEU 4 -19.350 5.983 3.195
38 HG LEU 4 HG LEU 4 -20.563 3.771 3.390
39 HD11 LEU 4 1HD1 LEU 4 -20.757 5.780 1.410
40 HD12 LEU 4 2HD1 LEU 4 -22.023 4.691 1.969
41 HD13 LEU 4 3HD1 LEU 4 -21.024 4.247 0.585
42 HD21 LEU 4 3HD2 LEU 4 -19.183 3.042 0.804
43 HD22 LEU 4 1HD2 LEU 4 -20.196 2.031 1.831
44 HD23 LEU 4 2HD2 LEU 4 -18.581 2.492 2.370
45 H LEU 5 H LEU 5 -17.328 3.827 -0.249
46 HA LEU 5 HA LEU 5 -15.507 2.142 1.304
47 HB2 LEU 5 2HB LEU 5 -17.234 1.705 -0.933
48 HB3 LEU 5 1HB LEU 5 -15.583 1.393 -1.458
49 HG LEU 5 HG LEU 5 -16.616 -0.654 -0.555
50 HD11 LEU 5 1HD1 LEU 5 -14.154 -0.161 -0.228
51 HD12 LEU 5 2HD1 LEU 5 -14.842 -1.277 0.949
52 HD13 LEU 5 3HD1 LEU 5 -14.554 0.399 1.396
53 HD21 LEU 5 3HD2 LEU 5 -16.749 0.802 2.103
54 HD22 LEU 5 1HD2 LEU 5 -17.338 -0.818 1.735
55 HD23 LEU 5 2HD2 LEU 5 -18.141 0.588 1.042
56 H ALA 6 H ALA 6 -13.418 1.539 0.308
57 HA ALA 6 HA ALA 6 -12.233 3.537 -1.470
58 HB1 ALA 6 1HB ALA 6 -11.958 4.105 1.102
59 HB2 ALA 6 2HB ALA 6 -10.612 4.307 -0.016
60 HB3 ALA 6 3HB ALA 6 -10.698 2.874 1.008
61 H LEU 7 H LEU 7 -9.926 2.850 -2.030
62 HA LEU 7 HA LEU 7 -10.007 0.059 -2.739
63 HB2 LEU 7 2HB LEU 7 -8.295 2.393 -3.390
64 HB3 LEU 7 1HB LEU 7 -7.522 0.814 -3.468
65 HG LEU 7 HG LEU 7 -8.589 1.583 -5.630
66 HD11 LEU 7 1HD1 LEU 7 -9.235 -0.590 -6.214
67 HD12 LEU 7 2HD1 LEU 7 -9.949 -0.911 -4.635
68 HD13 LEU 7 3HD1 LEU 7 -8.197 -0.864 -4.817
69 HD21 LEU 7 3HD2 LEU 7 -10.666 2.363 -4.092
70 HD22 LEU 7 1HD2 LEU 7 -11.242 0.763 -4.562
71 HD23 LEU 7 2HD2 LEU 7 -10.844 1.957 -5.797
72 H ALA 8 H ALA 8 -10.100 -0.636 -0.450
73 HA ALA 8 HA ALA 8 -8.118 -0.375 1.456
74 HB1 ALA 8 1HB ALA 8 -9.562 -2.955 0.821
75 HB2 ALA 8 2HB ALA 8 -10.294 -1.611 1.697
76 HB3 ALA 8 3HB ALA 8 -8.906 -2.458 2.378
77 H LEU 9 H LEU 9 -7.982 -1.928 -1.549
78 HA LEU 9 HA LEU 9 -5.761 -3.674 -0.971
79 HB2 LEU 9 2HB LEU 9 -7.276 -2.817 -3.397
80 HB3 LEU 9 1HB LEU 9 -5.719 -3.621 -3.582
81 HG LEU 9 HG LEU 9 -6.606 -5.449 -2.042
82 HD11 LEU 9 1HD1 LEU 9 -9.279 -5.419 -2.362
83 HD12 LEU 9 2HD1 LEU 9 -8.992 -3.679 -2.296
84 HD13 LEU 9 3HD1 LEU 9 -8.488 -4.708 -0.957
85 HD21 LEU 9 3HD2 LEU 9 -7.676 -6.603 -3.846
86 HD22 LEU 9 1HD2 LEU 9 -6.497 -5.519 -4.589
87 HD23 LEU 9 2HD2 LEU 9 -8.211 -5.095 -4.586
88 H HIS 10 H HIS 10 -6.101 -0.979 -3.227
89 HA HIS 10 HA HIS 10 -3.449 -0.491 -3.797
90 HB2 HIS 10 2HB HIS 10 -5.795 1.355 -3.521
91 HB3 HIS 10 1HB HIS 10 -4.191 2.011 -3.804
92 HD1 HIS 10 1HD HIS 10 -4.986 2.747 -6.234
93 HD2 HIS 10 2HD HIS 10 -4.960 -1.372 -5.563
94 HE1 HIS 10 1HE HIS 10 -5.134 1.647 -8.511
95 HE2 HIS 10 2HE HIS 10 -5.073 -0.862 -8.126
96 H HIS 11 H HIS 11 -5.337 0.299 -1.051
97 HA HIS 11 HA HIS 11 -3.937 2.055 0.464
98 HB2 HIS 11 2HB HIS 11 -5.689 -0.215 0.853
99 HB3 HIS 11 1HB HIS 11 -4.528 -0.078 2.181
100 HD1 HIS 11 1HD HIS 11 -4.905 1.785 3.864
101 HD2 HIS 11 2HD HIS 11 -7.329 2.186 0.489
102 HE1 HIS 11 1HE HIS 11 -6.544 3.650 4.373
103 HE2 HIS 11 2HE HIS 11 -8.009 3.929 2.314
104 H LEU 12 H LEU 12 -3.298 -1.349 -0.048
105 HA LEU 12 HA LEU 12 -0.897 -1.348 1.571
106 HB2 LEU 12 2HB LEU 12 -2.170 -3.383 -0.255
107 HB3 LEU 12 1HB LEU 12 -0.602 -3.653 0.505
108 HG LEU 12 HG LEU 12 -1.869 -2.982 2.715
109 HD11 LEU 12 1HD1 LEU 12 -4.080 -3.650 0.777
110 HD12 LEU 12 2HD1 LEU 12 -3.969 -2.290 1.889
111 HD13 LEU 12 3HD1 LEU 12 -4.273 -3.912 2.511
112 HD21 LEU 12 3HD2 LEU 12 -1.952 -5.576 1.196
113 HD22 LEU 12 1HD2 LEU 12 -2.767 -5.460 2.758
114 HD23 LEU 12 2HD2 LEU 12 -1.031 -5.161 2.641
115 H ALA 13 H ALA 13 -1.712 -1.518 -1.839
116 HA ALA 13 HA ALA 13 0.831 -1.649 -2.968
117 HB1 ALA 13 1HB ALA 13 -1.328 0.130 -4.094
118 HB2 ALA 13 2HB ALA 13 -1.463 -1.624 -4.157
119 HB3 ALA 13 3HB ALA 13 -0.124 -0.812 -4.968
120 H HIS 14 H HIS 14 -0.873 0.927 -1.437
121 HA HIS 14 HA HIS 14 0.780 3.104 -2.219
122 HB2 HIS 14 2HB HIS 14 -1.099 3.969 -1.366
123 HB3 HIS 14 1HB HIS 14 -1.419 2.589 -0.350
124 HD1 HIS 14 1HD HIS 14 1.502 5.073 -0.255
125 HD2 HIS 14 2HD HIS 14 -1.578 3.625 2.168
126 HE1 HIS 14 1HE HIS 14 1.757 6.210 1.997
127 HE2 HIS 14 2HE HIS 14 -0.116 5.349 3.485
128 H LEU 15 H LEU 15 0.575 1.234 0.768
129 HA LEU 15 HA LEU 15 2.911 2.278 1.978
130 HB2 LEU 15 2HB LEU 15 1.379 -0.309 2.208
131 HB3 LEU 15 1HB LEU 15 2.917 -0.126 3.037
132 HG LEU 15 HG LEU 15 1.874 0.917 4.711
133 HD11 LEU 15 1HD1 LEU 15 0.632 3.105 4.250
134 HD12 LEU 15 2HD1 LEU 15 1.059 2.861 2.561
135 HD13 LEU 15 3HD1 LEU 15 2.325 3.054 3.769
136 HD21 LEU 15 3HD2 LEU 15 -0.444 0.782 4.910
137 HD22 LEU 15 1HD2 LEU 15 -0.124 -0.414 3.656
138 HD23 LEU 15 2HD2 LEU 15 -0.708 1.191 3.218
139 H ALA 16 H ALA 16 2.178 -0.156 -0.296
140 HA ALA 16 HA ALA 16 4.783 -1.352 -0.423
141 HB1 ALA 16 1HB ALA 16 2.884 -1.377 -2.739
142 HB2 ALA 16 2HB ALA 16 2.457 -2.241 -1.262
143 HB3 ALA 16 3HB ALA 16 3.926 -2.666 -2.140
144 H LEU 17 H LEU 17 3.257 1.374 -1.853
145 HA LEU 17 HA LEU 17 4.947 1.748 -4.065
146 HB2 LEU 17 2HB LEU 17 3.535 3.439 -4.487
147 HB3 LEU 17 1HB LEU 17 2.694 2.987 -3.012
148 HG LEU 17 HG LEU 17 4.290 4.513 -1.762
149 HD11 LEU 17 1HD1 LEU 17 4.897 6.313 -3.853
150 HD12 LEU 17 2HD1 LEU 17 5.404 4.727 -4.434
151 HD13 LEU 17 3HD1 LEU 17 6.046 5.357 -2.916
152 HD21 LEU 17 3HD2 LEU 17 2.019 5.203 -2.196
153 HD22 LEU 17 1HD2 LEU 17 2.414 5.631 -3.857
154 HD23 LEU 17 2HD2 LEU 17 3.076 6.579 -2.524
155 H HIS 18 H HIS 18 5.077 3.190 -0.823
156 HA HIS 18 HA HIS 18 7.603 4.453 -1.472
157 HB2 HIS 18 2HB HIS 18 7.644 5.236 0.772
158 HB3 HIS 18 1HB HIS 18 6.001 5.335 0.184
159 HD1 HIS 18 1HD HIS 18 8.058 3.743 2.801
160 HD2 HIS 18 2HD HIS 18 4.216 3.370 1.215
161 HE1 HIS 18 1HE HIS 18 6.730 2.361 4.469
162 HE2 HIS 18 2HE HIS 18 4.364 2.167 3.548
163 H LEU 19 H LEU 19 6.512 1.607 0.179
164 HA LEU 19 HA LEU 19 8.912 0.630 1.252
165 HB2 LEU 19 2HB LEU 19 6.385 -0.539 0.315
166 HB3 LEU 19 1HB LEU 19 7.760 -1.614 0.085
167 HG LEU 19 HG LEU 19 6.813 -2.032 2.248
168 HD11 LEU 19 1HD1 LEU 19 9.141 -0.378 3.075
169 HD12 LEU 19 2HD1 LEU 19 9.436 -1.567 1.808
170 HD13 LEU 19 3HD1 LEU 19 8.814 -2.085 3.374
171 HD21 LEU 19 3HD2 LEU 19 5.638 -0.255 3.074
172 HD22 LEU 19 1HD2 LEU 19 6.742 0.921 2.357
173 HD23 LEU 19 2HD2 LEU 19 7.169 0.121 3.868
174 H ALA 20 H ALA 20 7.668 0.914 -1.939
175 HA ALA 20 HA ALA 20 9.591 -0.697 -3.322
176 HB1 ALA 20 1HB ALA 20 8.406 -0.131 -5.160
177 HB2 ALA 20 2HB ALA 20 8.586 1.593 -4.840
178 HB3 ALA 20 3HB ALA 20 7.298 0.680 -4.055
179 H LEU 21 H LEU 21 9.245 2.789 -2.999
180 HA LEU 21 HA LEU 21 11.663 3.591 -4.134
181 HB2 LEU 21 2HB LEU 21 10.234 4.837 -1.773
182 HB3 LEU 21 1HB LEU 21 11.448 5.633 -2.775
183 HG LEU 21 HG LEU 21 8.826 4.516 -3.820
184 HD11 LEU 21 1HD1 LEU 21 8.801 6.578 -2.210
185 HD12 LEU 21 2HD1 LEU 21 7.906 6.668 -3.726
186 HD13 LEU 21 3HD1 LEU 21 9.484 7.443 -3.585
187 HD21 LEU 21 3HD2 LEU 21 11.106 6.076 -5.054
188 HD22 LEU 21 1HD2 LEU 21 9.493 6.075 -5.767
189 HD23 LEU 21 2HD2 LEU 21 10.386 4.565 -5.607
190 H ALA 22 H ALA 22 10.881 2.860 -0.789
191 HA ALA 22 HA ALA 22 13.363 3.247 0.394
192 HB1 ALA 22 1HB ALA 22 12.425 2.308 2.232
193 HB2 ALA 22 2HB ALA 22 11.940 0.857 1.359
194 HB3 ALA 22 3HB ALA 22 10.945 2.308 1.274
195 H LEU 23 H LEU 23 12.176 0.627 -1.545
196 HA LEU 23 HA LEU 23 14.409 -1.140 -1.073
197 HB2 LEU 23 2HB LEU 23 12.059 -1.848 -1.764
198 HB3 LEU 23 1HB LEU 23 12.437 -1.217 -3.361
199 HG LEU 23 HG LEU 23 14.482 -2.717 -3.370
200 HD11 LEU 23 1HD1 LEU 23 13.600 -4.732 -1.620
201 HD12 LEU 23 2HD1 LEU 23 13.490 -3.239 -0.689
202 HD13 LEU 23 3HD1 LEU 23 15.021 -3.716 -1.424
203 HD21 LEU 23 3HD2 LEU 23 12.625 -3.416 -4.686
204 HD22 LEU 23 1HD2 LEU 23 11.675 -3.835 -3.257
205 HD23 LEU 23 2HD2 LEU 23 13.054 -4.826 -3.722
206 H LYS 24 H LYS 24 13.266 0.937 -3.650
207 HA LYS 24 HA LYS 24 15.261 0.530 -5.537
208 HB2 LYS 24 2HB LYS 24 13.201 1.839 -5.937
209 HB3 LYS 24 1HB LYS 24 13.857 3.141 -4.945
210 HG2 LYS 24 2HG LYS 24 15.661 2.171 -7.086
211 HG3 LYS 24 1HG LYS 24 14.194 2.967 -7.654
212 HD2 LYS 24 2HD LYS 24 14.784 5.007 -6.750
213 HD3 LYS 24 1HD LYS 24 15.693 4.282 -5.431
214 HE2 LYS 24 2HE LYS 24 17.002 5.487 -7.331
215 HE3 LYS 24 1HE LYS 24 17.592 3.928 -6.759
216 HZ1 LYS 24 3HZ LYS 24 15.647 3.917 -8.936
217 HZ2 LYS 24 1HZ LYS 24 16.965 2.889 -8.654
218 HZ3 LYS 24 2HZ LYS 24 17.217 4.435 -9.304
219 H LYS 25 H LYS 25 15.194 2.914 -2.923
220 HA LYS 25 HA LYS 25 18.109 3.281 -3.317
221 HB2 LYS 25 2HB LYS 25 17.844 5.550 -2.385
222 HB3 LYS 25 1HB LYS 25 16.866 5.338 -3.831
223 HG2 LYS 25 2HG LYS 25 14.949 5.700 -2.702
224 HG3 LYS 25 1HG LYS 25 15.392 4.565 -1.435
225 HD2 LYS 25 2HD LYS 25 16.500 7.387 -1.616
226 HD3 LYS 25 1HD LYS 25 15.099 6.955 -0.644
227 HE2 LYS 25 2HE LYS 25 17.921 5.897 -0.327
228 HE3 LYS 25 1HE LYS 25 17.053 6.947 0.785
229 HZ1 LYS 25 3HZ LYS 25 17.040 4.630 1.502
230 HZ2 LYS 25 1HZ LYS 25 16.250 4.183 0.065
231 HZ3 LYS 25 2HZ LYS 25 15.466 5.201 1.177
232 H ALA 26 H ALA 26 19.432 3.003 -1.610
233 HA ALA 26 HA ALA 26 18.432 1.668 0.714
234 HB1 ALA 26 1HB ALA 26 20.668 1.145 -0.117
235 HB2 ALA 26 2HB ALA 26 20.787 1.810 1.513
236 HB3 ALA 26 3HB ALA 26 21.173 2.816 0.117
Start of MODEL 12
1 H1 LYS 1 1HT LYS 1 -17.250 2.966 1.109
2 H2 LYS 1 2HT LYS 1 -16.945 4.304 2.107
3 H3 LYS 1 3HT LYS 1 -16.570 4.367 0.454
4 HA LYS 1 HA LYS 1 -19.336 3.805 1.186
5 HB2 LYS 1 2HB LYS 1 -18.103 5.943 2.411
6 HB3 LYS 1 1HB LYS 1 -18.712 6.678 0.929
7 HG2 LYS 1 2HG LYS 1 -20.921 5.356 1.539
8 HG3 LYS 1 1HG LYS 1 -20.245 5.389 3.169
9 HD2 LYS 1 2HD LYS 1 -19.870 7.944 2.666
10 HD3 LYS 1 1HD LYS 1 -21.106 7.690 1.432
11 HE2 LYS 1 2HE LYS 1 -21.360 7.222 4.415
12 HE3 LYS 1 1HE LYS 1 -22.249 8.384 3.431
13 HZ1 LYS 1 2HZ LYS 1 -23.395 6.642 2.332
14 HZ2 LYS 1 3HZ LYS 1 -23.471 6.292 3.996
15 HZ3 LYS 1 1HZ LYS 1 -22.386 5.452 3.003
16 H LYS 2 H LYS 2 -17.532 6.356 -0.575
17 HA LYS 2 HA LYS 2 -19.183 6.137 -2.885
18 HB2 LYS 2 2HB LYS 2 -17.523 7.623 -3.957
19 HB3 LYS 2 1HB LYS 2 -17.979 8.211 -2.360
20 HG2 LYS 2 2HG LYS 2 -15.728 8.343 -2.027
21 HG3 LYS 2 1HG LYS 2 -15.865 6.618 -1.712
22 HD2 LYS 2 2HD LYS 2 -14.076 6.926 -3.303
23 HD3 LYS 2 1HD LYS 2 -15.435 6.206 -4.159
24 HE2 LYS 2 2HE LYS 2 -14.242 8.192 -5.297
25 HE3 LYS 2 1HE LYS 2 -16.002 8.250 -5.222
26 HZ1 LYS 2 3HZ LYS 2 -15.869 9.679 -3.310
27 HZ2 LYS 2 1HZ LYS 2 -14.949 10.351 -4.561
28 HZ3 LYS 2 2HZ LYS 2 -14.179 9.564 -3.271
29 H ALA 3 H ALA 3 -18.452 5.511 -5.042
30 HA ALA 3 HA ALA 3 -17.084 2.952 -4.938
31 HB1 ALA 3 1HB ALA 3 -19.068 3.103 -6.301
32 HB2 ALA 3 2HB ALA 3 -17.682 2.858 -7.358
33 HB3 ALA 3 3HB ALA 3 -18.399 4.459 -7.203
34 H LEU 4 H LEU 4 -15.194 2.432 -6.040
35 HA LEU 4 HA LEU 4 -13.762 4.334 -7.628
36 HB2 LEU 4 2HB LEU 4 -13.396 4.502 -4.809
37 HB3 LEU 4 1HB LEU 4 -11.930 3.799 -5.490
38 HG LEU 4 HG LEU 4 -13.256 6.338 -6.503
39 HD11 LEU 4 1HD1 LEU 4 -10.595 6.203 -5.104
40 HD12 LEU 4 2HD1 LEU 4 -12.081 6.304 -4.157
41 HD13 LEU 4 3HD1 LEU 4 -11.675 7.581 -5.304
42 HD21 LEU 4 3HD2 LEU 4 -11.262 6.597 -7.853
43 HD22 LEU 4 1HD2 LEU 4 -11.921 4.994 -8.169
44 HD23 LEU 4 2HD2 LEU 4 -10.520 5.180 -7.113
45 H LEU 5 H LEU 5 -11.181 3.332 -7.272
46 HA LEU 5 HA LEU 5 -11.433 0.784 -8.608
47 HB2 LEU 5 2HB LEU 5 -8.873 2.075 -7.656
48 HB3 LEU 5 1HB LEU 5 -9.086 0.930 -8.983
49 HG LEU 5 HG LEU 5 -10.148 3.776 -8.888
50 HD11 LEU 5 1HD1 LEU 5 -7.785 3.768 -9.364
51 HD12 LEU 5 2HD1 LEU 5 -8.629 4.010 -10.892
52 HD13 LEU 5 3HD1 LEU 5 -7.964 2.427 -10.496
53 HD21 LEU 5 3HD2 LEU 5 -10.835 3.299 -11.253
54 HD22 LEU 5 1HD2 LEU 5 -11.724 2.334 -10.071
55 HD23 LEU 5 2HD2 LEU 5 -10.408 1.605 -10.995
56 H ALA 6 H ALA 6 -8.914 -0.262 -7.497
57 HA ALA 6 HA ALA 6 -9.999 -1.972 -5.521
58 HB1 ALA 6 1HB ALA 6 -7.041 -1.557 -5.785
59 HB2 ALA 6 2HB ALA 6 -7.936 -2.279 -7.121
60 HB3 ALA 6 3HB ALA 6 -7.940 -3.053 -5.536
61 H LEU 7 H LEU 7 -10.799 0.128 -4.321
62 HA LEU 7 HA LEU 7 -8.999 1.567 -2.684
63 HB2 LEU 7 2HB LEU 7 -11.830 1.414 -3.062
64 HB3 LEU 7 1HB LEU 7 -11.501 1.279 -1.336
65 HG LEU 7 HG LEU 7 -11.775 3.651 -2.131
66 HD11 LEU 7 1HD1 LEU 7 -10.085 4.486 -0.740
67 HD12 LEU 7 2HD1 LEU 7 -8.924 3.261 -1.246
68 HD13 LEU 7 3HD1 LEU 7 -10.254 2.824 -0.170
69 HD21 LEU 7 3HD2 LEU 7 -10.442 4.574 -3.756
70 HD22 LEU 7 1HD2 LEU 7 -10.357 2.902 -4.307
71 HD23 LEU 7 2HD2 LEU 7 -9.053 3.578 -3.334
72 H ALA 8 H ALA 8 -8.534 1.311 -0.457
73 HA ALA 8 HA ALA 8 -8.064 0.188 1.490
74 HB1 ALA 8 1HB ALA 8 -9.800 -2.094 0.590
75 HB2 ALA 8 2HB ALA 8 -10.510 -0.600 1.207
76 HB3 ALA 8 3HB ALA 8 -9.443 -1.560 2.232
77 H LEU 9 H LEU 9 -7.938 -1.316 -1.567
78 HA LEU 9 HA LEU 9 -5.992 -3.332 -0.751
79 HB2 LEU 9 2HB LEU 9 -7.636 -2.736 -3.117
80 HB3 LEU 9 1HB LEU 9 -6.036 -3.389 -3.459
81 HG LEU 9 HG LEU 9 -6.542 -5.239 -1.800
82 HD11 LEU 9 1HD1 LEU 9 -8.354 -4.889 -0.481
83 HD12 LEU 9 2HD1 LEU 9 -9.337 -5.260 -1.897
84 HD13 LEU 9 3HD1 LEU 9 -8.935 -3.586 -1.518
85 HD21 LEU 9 3HD2 LEU 9 -6.727 -5.647 -4.191
86 HD22 LEU 9 1HD2 LEU 9 -8.314 -4.881 -4.232
87 HD23 LEU 9 2HD2 LEU 9 -8.097 -6.412 -3.389
88 H HIS 10 H HIS 10 -6.191 -0.813 -3.214
89 HA HIS 10 HA HIS 10 -3.518 -0.549 -3.916
90 HB2 HIS 10 2HB HIS 10 -5.762 1.428 -3.670
91 HB3 HIS 10 1HB HIS 10 -4.131 2.023 -3.971
92 HD1 HIS 10 1HD HIS 10 -5.011 2.754 -6.400
93 HD2 HIS 10 2HD HIS 10 -4.972 -1.358 -5.677
94 HE1 HIS 10 1HE HIS 10 -5.279 1.623 -8.656
95 HE2 HIS 10 2HE HIS 10 -5.188 -0.884 -8.240
96 H HIS 11 H HIS 11 -5.284 0.545 -1.195
97 HA HIS 11 HA HIS 11 -3.738 2.262 0.205
98 HB2 HIS 11 2HB HIS 11 -5.607 0.075 0.784
99 HB3 HIS 11 1HB HIS 11 -4.521 0.469 2.124
100 HD1 HIS 11 1HD HIS 11 -5.957 1.922 3.635
101 HD2 HIS 11 2HD HIS 11 -6.236 3.048 -0.375
102 HE1 HIS 11 1HE HIS 11 -7.368 4.036 3.574
103 HE2 HIS 11 2HE HIS 11 -7.559 4.728 1.128
104 H LEU 12 H LEU 12 -3.353 -1.203 -0.083
105 HA LEU 12 HA LEU 12 -1.027 -1.300 1.641
106 HB2 LEU 12 2HB LEU 12 -2.129 -3.371 -0.284
107 HB3 LEU 12 1HB LEU 12 -0.937 -3.666 0.981
108 HG LEU 12 HG LEU 12 -3.731 -2.613 1.505
109 HD11 LEU 12 1HD1 LEU 12 -3.500 -5.011 0.545
110 HD12 LEU 12 2HD1 LEU 12 -4.421 -4.803 2.039
111 HD13 LEU 12 3HD1 LEU 12 -2.759 -5.404 2.096
112 HD21 LEU 12 3HD2 LEU 12 -2.876 -3.743 3.818
113 HD22 LEU 12 1HD2 LEU 12 -2.593 -2.041 3.429
114 HD23 LEU 12 2HD2 LEU 12 -1.325 -3.235 3.153
115 H ALA 13 H ALA 13 -1.756 -1.590 -1.756
116 HA ALA 13 HA ALA 13 0.829 -1.969 -2.777
117 HB1 ALA 13 1HB ALA 13 -0.010 -1.052 -4.882
118 HB2 ALA 13 2HB ALA 13 -1.393 -0.345 -4.049
119 HB3 ALA 13 3HB ALA 13 -1.232 -2.098 -4.164
120 H HIS 14 H HIS 14 -0.812 0.781 -1.554
121 HA HIS 14 HA HIS 14 0.958 2.811 -2.450
122 HB2 HIS 14 2HB HIS 14 -1.031 3.664 -1.777
123 HB3 HIS 14 1HB HIS 14 -1.224 2.534 -0.459
124 HD1 HIS 14 1HD HIS 14 1.224 5.360 -1.308
125 HD2 HIS 14 2HD HIS 14 -0.830 3.771 1.964
126 HE1 HIS 14 1HE HIS 14 1.826 6.802 0.694
127 HE2 HIS 14 2HE HIS 14 0.616 5.822 2.703
128 H LEU 15 H LEU 15 0.614 1.058 0.596
129 HA LEU 15 HA LEU 15 2.858 2.159 1.910
130 HB2 LEU 15 2HB LEU 15 1.419 -0.486 2.075
131 HB3 LEU 15 1HB LEU 15 2.908 -0.245 2.974
132 HG LEU 15 HG LEU 15 1.905 1.127 4.500
133 HD11 LEU 15 1HD1 LEU 15 -0.027 2.642 3.902
134 HD12 LEU 15 2HD1 LEU 15 0.178 2.118 2.232
135 HD13 LEU 15 3HD1 LEU 15 1.475 2.994 3.046
136 HD21 LEU 15 3HD2 LEU 15 -0.724 0.168 3.401
137 HD22 LEU 15 1HD2 LEU 15 -0.202 0.277 5.081
138 HD23 LEU 15 2HD2 LEU 15 0.434 -0.997 4.042
139 H ALA 16 H ALA 16 2.273 -0.318 -0.357
140 HA ALA 16 HA ALA 16 4.899 -1.450 -0.405
141 HB1 ALA 16 1HB ALA 16 4.096 -2.838 -2.041
142 HB2 ALA 16 2HB ALA 16 3.243 -1.537 -2.873
143 HB3 ALA 16 3HB ALA 16 2.548 -2.263 -1.421
144 H LEU 17 H LEU 17 3.374 1.250 -1.928
145 HA LEU 17 HA LEU 17 5.177 1.695 -4.026
146 HB2 LEU 17 2HB LEU 17 3.727 3.335 -4.489
147 HB3 LEU 17 1HB LEU 17 2.892 2.965 -2.990
148 HG LEU 17 HG LEU 17 4.596 4.507 -1.833
149 HD11 LEU 17 1HD1 LEU 17 4.935 5.848 -4.476
150 HD12 LEU 17 2HD1 LEU 17 5.948 4.442 -4.160
151 HD13 LEU 17 3HD1 LEU 17 6.008 5.829 -3.079
152 HD21 LEU 17 3HD2 LEU 17 3.057 6.158 -3.768
153 HD22 LEU 17 1HD2 LEU 17 3.082 6.212 -2.004
154 HD23 LEU 17 2HD2 LEU 17 2.131 4.982 -2.835
155 H HIS 18 H HIS 18 5.141 3.076 -0.748
156 HA HIS 18 HA HIS 18 7.670 4.374 -1.248
157 HB2 HIS 18 2HB HIS 18 7.663 5.008 1.070
158 HB3 HIS 18 1HB HIS 18 6.089 5.257 0.355
159 HD1 HIS 18 1HD HIS 18 7.816 3.337 3.007
160 HD2 HIS 18 2HD HIS 18 4.044 3.502 1.230
161 HE1 HIS 18 1HE HIS 18 6.234 2.105 4.565
162 HE2 HIS 18 2HE HIS 18 3.922 2.226 3.518
163 H LEU 19 H LEU 19 6.581 1.500 0.356
164 HA LEU 19 HA LEU 19 9.009 0.532 1.390
165 HB2 LEU 19 2HB LEU 19 6.480 -0.645 0.447
166 HB3 LEU 19 1HB LEU 19 7.867 -1.714 0.261
167 HG LEU 19 HG LEU 19 8.339 -1.695 2.570
168 HD11 LEU 19 1HD1 LEU 19 8.325 0.440 3.391
169 HD12 LEU 19 2HD1 LEU 19 6.725 -0.035 3.965
170 HD13 LEU 19 3HD1 LEU 19 6.889 0.885 2.469
171 HD21 LEU 19 3HD2 LEU 19 5.320 -1.523 2.327
172 HD22 LEU 19 1HD2 LEU 19 6.202 -2.287 3.646
173 HD23 LEU 19 2HD2 LEU 19 6.286 -2.966 2.024
174 H ALA 20 H ALA 20 7.708 0.813 -1.782
175 HA ALA 20 HA ALA 20 9.678 -0.734 -3.181
176 HB1 ALA 20 1HB ALA 20 8.442 1.553 -4.600
177 HB2 ALA 20 2HB ALA 20 7.318 0.365 -3.948
178 HB3 ALA 20 3HB ALA 20 8.568 -0.137 -5.080
179 H LEU 21 H LEU 21 9.140 2.734 -2.970
180 HA LEU 21 HA LEU 21 11.503 3.657 -4.074
181 HB2 LEU 21 2HB LEU 21 10.016 4.814 -1.702
182 HB3 LEU 21 1HB LEU 21 11.196 5.677 -2.690
183 HG LEU 21 HG LEU 21 8.612 4.471 -3.722
184 HD11 LEU 21 1HD1 LEU 21 9.385 7.376 -3.324
185 HD12 LEU 21 2HD1 LEU 21 8.341 6.466 -2.229
186 HD13 LEU 21 3HD1 LEU 21 7.830 6.761 -3.891
187 HD21 LEU 21 3HD2 LEU 21 9.310 6.046 -5.692
188 HD22 LEU 21 1HD2 LEU 21 10.100 4.477 -5.545
189 HD23 LEU 21 2HD2 LEU 21 10.923 5.936 -4.990
190 H ALA 22 H ALA 22 10.789 2.838 -0.740
191 HA ALA 22 HA ALA 22 13.238 3.376 0.457
192 HB1 ALA 22 1HB ALA 22 11.198 1.225 1.026
193 HB2 ALA 22 2HB ALA 22 11.415 2.760 1.868
194 HB3 ALA 22 3HB ALA 22 12.616 1.477 2.043
195 H LEU 23 H LEU 23 12.240 0.675 -1.506
196 HA LEU 23 HA LEU 23 14.720 -0.783 -1.100
197 HB2 LEU 23 2HB LEU 23 12.116 -1.459 -1.981
198 HB3 LEU 23 1HB LEU 23 13.197 -1.737 -3.346
199 HG LEU 23 HG LEU 23 13.936 -2.714 -0.585
200 HD11 LEU 23 1HD1 LEU 23 11.744 -3.682 -0.990
201 HD12 LEU 23 2HD1 LEU 23 12.960 -4.925 -1.276
202 HD13 LEU 23 3HD1 LEU 23 12.196 -4.112 -2.639
203 HD21 LEU 23 3HD2 LEU 23 15.752 -2.875 -2.088
204 HD22 LEU 23 1HD2 LEU 23 14.714 -3.336 -3.436
205 HD23 LEU 23 2HD2 LEU 23 15.035 -4.483 -2.139
206 H LYS 24 H LYS 24 13.022 0.777 -3.774
207 HA LYS 24 HA LYS 24 14.940 0.598 -5.767
208 HB2 LYS 24 2HB LYS 24 12.510 1.751 -5.609
209 HB3 LYS 24 1HB LYS 24 13.508 3.196 -5.494
210 HG2 LYS 24 2HG LYS 24 14.192 1.208 -7.622
211 HG3 LYS 24 1HG LYS 24 12.756 2.204 -7.861
212 HD2 LYS 24 2HD LYS 24 14.265 3.692 -8.726
213 HD3 LYS 24 1HD LYS 24 14.504 4.108 -7.031
214 HE2 LYS 24 2HE LYS 24 16.182 1.940 -7.340
215 HE3 LYS 24 1HE LYS 24 16.324 2.746 -8.898
216 HZ1 LYS 24 3HZ LYS 24 17.220 3.607 -6.287
217 HZ2 LYS 24 1HZ LYS 24 16.436 4.822 -7.186
218 HZ3 LYS 24 2HZ LYS 24 17.798 4.021 -7.830
219 H LYS 25 H LYS 25 14.475 3.136 -3.400
220 HA LYS 25 HA LYS 25 15.817 4.735 -2.497
221 HB2 LYS 25 2HB LYS 25 17.329 2.299 -2.542
222 HB3 LYS 25 1HB LYS 25 18.418 3.663 -2.795
223 HG2 LYS 25 2HG LYS 25 16.386 3.422 -0.554
224 HG3 LYS 25 1HG LYS 25 18.125 3.203 -0.384
225 HD2 LYS 25 2HD LYS 25 17.592 5.714 -1.714
226 HD3 LYS 25 1HD LYS 25 16.673 5.631 -0.212
227 HE2 LYS 25 2HE LYS 25 19.055 6.566 -0.056
228 HE3 LYS 25 1HE LYS 25 18.627 5.299 1.093
229 HZ1 LYS 25 3HZ LYS 25 20.163 3.963 0.239
230 HZ2 LYS 25 1HZ LYS 25 20.735 5.281 -0.659
231 HZ3 LYS 25 2HZ LYS 25 19.613 4.214 -1.349
232 H ALA 26 H ALA 26 15.957 6.556 -3.566
233 HA ALA 26 HA ALA 26 16.629 8.179 -5.034
234 HB1 ALA 26 1HB ALA 26 19.129 6.505 -5.303
235 HB2 ALA 26 2HB ALA 26 18.822 7.613 -3.970
236 HB3 ALA 26 3HB ALA 26 18.970 8.230 -5.614
Start of MODEL 13
1 H1 LYS 1 1HT LYS 1 -12.417 6.991 12.533
2 H2 LYS 1 2HT LYS 1 -12.448 6.558 14.172
3 H3 LYS 1 3HT LYS 1 -13.480 7.778 13.600
4 HA LYS 1 HA LYS 1 -14.521 5.536 14.007
5 HB2 LYS 1 2HB LYS 1 -15.088 7.541 12.225
6 HB3 LYS 1 1HB LYS 1 -14.966 6.157 11.144
7 HG2 LYS 1 2HG LYS 1 -16.548 5.862 13.674
8 HG3 LYS 1 1HG LYS 1 -17.262 6.741 12.323
9 HD2 LYS 1 2HD LYS 1 -17.060 4.834 10.864
10 HD3 LYS 1 1HD LYS 1 -16.058 3.974 12.033
11 HE2 LYS 1 2HE LYS 1 -18.680 3.493 11.806
12 HE3 LYS 1 1HE LYS 1 -17.855 3.413 13.363
13 HZ1 LYS 1 2HZ LYS 1 -18.560 5.624 13.865
14 HZ2 LYS 1 3HZ LYS 1 -19.920 4.734 13.380
15 HZ3 LYS 1 1HZ LYS 1 -19.206 5.837 12.309
16 H LYS 2 H LYS 2 -13.153 5.708 10.722
17 HA LYS 2 HA LYS 2 -11.554 3.365 10.954
18 HB2 LYS 2 2HB LYS 2 -14.375 2.971 10.340
19 HB3 LYS 2 1HB LYS 2 -13.348 2.410 9.024
20 HG2 LYS 2 2HG LYS 2 -12.006 1.098 10.681
21 HG3 LYS 2 1HG LYS 2 -13.133 1.595 11.942
22 HD2 LYS 2 2HD LYS 2 -14.076 -0.436 11.334
23 HD3 LYS 2 1HD LYS 2 -14.942 0.649 10.250
24 HE2 LYS 2 2HE LYS 2 -14.172 -1.182 8.894
25 HE3 LYS 2 1HE LYS 2 -13.117 0.183 8.521
26 HZ1 LYS 2 3HZ LYS 2 -12.481 -1.916 10.521
27 HZ2 LYS 2 1HZ LYS 2 -11.452 -0.681 9.978
28 HZ3 LYS 2 2HZ LYS 2 -11.921 -1.927 8.921
29 H ALA 3 H ALA 3 -10.309 3.058 9.092
30 HA ALA 3 HA ALA 3 -10.258 5.329 7.283
31 HB1 ALA 3 1HB ALA 3 -8.148 4.591 6.635
32 HB2 ALA 3 2HB ALA 3 -8.528 2.897 6.942
33 HB3 ALA 3 3HB ALA 3 -8.234 3.996 8.291
34 H LEU 4 H LEU 4 -12.640 4.155 6.885
35 HA LEU 4 HA LEU 4 -12.610 2.118 4.875
36 HB2 LEU 4 2HB LEU 4 -15.036 3.432 4.559
37 HB3 LEU 4 1HB LEU 4 -14.740 2.032 5.583
38 HG LEU 4 HG LEU 4 -14.133 3.610 7.451
39 HD11 LEU 4 1HD1 LEU 4 -13.560 5.543 5.983
40 HD12 LEU 4 2HD1 LEU 4 -14.756 5.973 7.203
41 HD13 LEU 4 3HD1 LEU 4 -15.255 5.685 5.538
42 HD21 LEU 4 3HD2 LEU 4 -16.605 4.522 7.598
43 HD22 LEU 4 1HD2 LEU 4 -16.312 2.783 7.655
44 HD23 LEU 4 2HD2 LEU 4 -16.846 3.539 6.155
45 H LEU 5 H LEU 5 -14.260 2.968 2.874
46 HA LEU 5 HA LEU 5 -14.273 4.046 0.843
47 HB2 LEU 5 2HB LEU 5 -12.675 6.237 2.189
48 HB3 LEU 5 1HB LEU 5 -13.613 6.367 0.705
49 HG LEU 5 HG LEU 5 -14.648 5.983 3.523
50 HD11 LEU 5 1HD1 LEU 5 -16.045 7.995 2.695
51 HD12 LEU 5 2HD1 LEU 5 -14.880 8.091 1.378
52 HD13 LEU 5 3HD1 LEU 5 -14.341 8.285 3.046
53 HD21 LEU 5 3HD2 LEU 5 -15.969 5.496 0.857
54 HD22 LEU 5 1HD2 LEU 5 -16.922 6.068 2.227
55 HD23 LEU 5 2HD2 LEU 5 -16.062 4.532 2.334
56 H ALA 6 H ALA 6 -12.602 5.174 -0.747
57 HA ALA 6 HA ALA 6 -10.732 4.881 -2.036
58 HB1 ALA 6 1HB ALA 6 -8.696 5.121 -0.992
59 HB2 ALA 6 2HB ALA 6 -9.128 4.054 0.344
60 HB3 ALA 6 3HB ALA 6 -9.769 5.699 0.283
61 H LEU 7 H LEU 7 -8.604 3.113 -1.871
62 HA LEU 7 HA LEU 7 -10.004 0.527 -2.151
63 HB2 LEU 7 2HB LEU 7 -7.944 1.913 -3.701
64 HB3 LEU 7 1HB LEU 7 -7.520 0.244 -3.334
65 HG LEU 7 HG LEU 7 -8.863 0.686 -5.495
66 HD11 LEU 7 1HD1 LEU 7 -9.526 -1.349 -3.385
67 HD12 LEU 7 2HD1 LEU 7 -8.648 -1.564 -4.898
68 HD13 LEU 7 3HD1 LEU 7 -10.400 -1.351 -4.916
69 HD21 LEU 7 3HD2 LEU 7 -11.125 1.194 -5.375
70 HD22 LEU 7 1HD2 LEU 7 -10.526 2.142 -4.015
71 HD23 LEU 7 2HD2 LEU 7 -11.288 0.577 -3.733
72 H ALA 8 H ALA 8 -9.859 -0.347 -0.120
73 HA ALA 8 HA ALA 8 -7.825 -0.185 1.742
74 HB1 ALA 8 1HB ALA 8 -10.109 -1.427 1.842
75 HB2 ALA 8 2HB ALA 8 -8.753 -2.076 2.763
76 HB3 ALA 8 3HB ALA 8 -9.200 -2.803 1.219
77 H LEU 9 H LEU 9 -7.876 -1.715 -1.256
78 HA LEU 9 HA LEU 9 -5.681 -3.548 -0.842
79 HB2 LEU 9 2HB LEU 9 -7.527 -2.782 -2.983
80 HB3 LEU 9 1HB LEU 9 -5.898 -3.149 -3.536
81 HG LEU 9 HG LEU 9 -6.023 -5.297 -2.206
82 HD11 LEU 9 1HD1 LEU 9 -8.462 -6.018 -1.793
83 HD12 LEU 9 2HD1 LEU 9 -8.846 -4.296 -1.873
84 HD13 LEU 9 3HD1 LEU 9 -7.737 -4.896 -0.642
85 HD21 LEU 9 3HD2 LEU 9 -7.960 -4.780 -4.475
86 HD22 LEU 9 1HD2 LEU 9 -7.596 -6.395 -3.863
87 HD23 LEU 9 2HD2 LEU 9 -6.320 -5.416 -4.578
88 H HIS 10 H HIS 10 -6.141 -0.805 -3.002
89 HA HIS 10 HA HIS 10 -3.530 -0.306 -3.754
90 HB2 HIS 10 2HB HIS 10 -5.853 1.540 -3.257
91 HB3 HIS 10 1HB HIS 10 -4.269 2.195 -3.662
92 HD1 HIS 10 1HD HIS 10 -5.238 3.010 -5.970
93 HD2 HIS 10 2HD HIS 10 -5.234 -1.135 -5.465
94 HE1 HIS 10 1HE HIS 10 -5.655 2.003 -8.260
95 HE2 HIS 10 2HE HIS 10 -5.627 -0.525 -7.976
96 H HIS 11 H HIS 11 -5.273 0.482 -0.895
97 HA HIS 11 HA HIS 11 -3.733 2.172 0.569
98 HB2 HIS 11 2HB HIS 11 -5.586 -0.007 1.041
99 HB3 HIS 11 1HB HIS 11 -4.363 0.082 2.318
100 HD1 HIS 11 1HD HIS 11 -4.550 1.989 3.987
101 HD2 HIS 11 2HD HIS 11 -7.089 2.469 0.707
102 HE1 HIS 11 1HE HIS 11 -6.040 3.974 4.515
103 HE2 HIS 11 2HE HIS 11 -7.578 4.300 2.511
104 H LEU 12 H LEU 12 -3.224 -1.235 -0.044
105 HA LEU 12 HA LEU 12 -0.768 -1.334 1.512
106 HB2 LEU 12 2HB LEU 12 -2.409 -3.304 -0.037
107 HB3 LEU 12 1HB LEU 12 -0.710 -3.666 0.238
108 HG LEU 12 HG LEU 12 -2.352 -4.530 2.000
109 HD11 LEU 12 1HD1 LEU 12 0.202 -3.124 2.331
110 HD12 LEU 12 2HD1 LEU 12 -0.319 -4.684 2.964
111 HD13 LEU 12 3HD1 LEU 12 -0.746 -3.204 3.817
112 HD21 LEU 12 3HD2 LEU 12 -3.619 -2.287 1.996
113 HD22 LEU 12 1HD2 LEU 12 -2.284 -1.664 2.972
114 HD23 LEU 12 2HD2 LEU 12 -3.270 -2.996 3.570
115 H ALA 13 H ALA 13 -1.782 -1.458 -1.838
116 HA ALA 13 HA ALA 13 0.704 -1.779 -3.086
117 HB1 ALA 13 1HB ALA 13 -1.684 -1.630 -4.140
118 HB2 ALA 13 2HB ALA 13 -0.309 -1.031 -5.067
119 HB3 ALA 13 3HB ALA 13 -1.361 0.101 -4.211
120 H HIS 14 H HIS 14 -0.819 0.890 -1.559
121 HA HIS 14 HA HIS 14 0.972 2.944 -2.434
122 HB2 HIS 14 2HB HIS 14 -0.919 3.929 -1.716
123 HB3 HIS 14 1HB HIS 14 -1.302 2.656 -0.579
124 HD1 HIS 14 1HD HIS 14 1.577 5.177 -0.799
125 HD2 HIS 14 2HD HIS 14 -1.218 3.719 1.933
126 HE1 HIS 14 1HE HIS 14 2.025 6.377 1.391
127 HE2 HIS 14 2HE HIS 14 0.312 5.510 3.068
128 H LEU 15 H LEU 15 0.571 1.080 0.536
129 HA LEU 15 HA LEU 15 2.814 2.112 1.909
130 HB2 LEU 15 2HB LEU 15 1.352 -0.529 1.953
131 HB3 LEU 15 1HB LEU 15 2.846 -0.337 2.862
132 HG LEU 15 HG LEU 15 1.851 0.935 4.455
133 HD11 LEU 15 1HD1 LEU 15 1.542 2.939 3.162
134 HD12 LEU 15 2HD1 LEU 15 -0.016 2.585 3.900
135 HD13 LEU 15 3HD1 LEU 15 0.264 2.187 2.211
136 HD21 LEU 15 3HD2 LEU 15 0.343 -0.949 4.349
137 HD22 LEU 15 1HD2 LEU 15 -0.555 -0.204 3.028
138 HD23 LEU 15 2HD2 LEU 15 -0.617 0.502 4.637
139 H ALA 16 H ALA 16 2.225 -0.239 -0.481
140 HA ALA 16 HA ALA 16 4.852 -1.370 -0.597
141 HB1 ALA 16 1HB ALA 16 2.395 -1.931 -1.795
142 HB2 ALA 16 2HB ALA 16 3.915 -2.776 -2.087
143 HB3 ALA 16 3HB ALA 16 3.431 -1.442 -3.134
144 H LEU 17 H LEU 17 3.287 1.362 -2.074
145 HA LEU 17 HA LEU 17 5.110 1.902 -4.116
146 HB2 LEU 17 2HB LEU 17 3.410 3.347 -4.449
147 HB3 LEU 17 1HB LEU 17 2.961 3.341 -2.755
148 HG LEU 17 HG LEU 17 5.477 4.782 -3.321
149 HD11 LEU 17 1HD1 LEU 17 4.370 6.739 -4.306
150 HD12 LEU 17 2HD1 LEU 17 2.838 5.872 -4.342
151 HD13 LEU 17 3HD1 LEU 17 4.176 5.337 -5.361
152 HD21 LEU 17 3HD2 LEU 17 2.967 5.802 -1.977
153 HD22 LEU 17 1HD2 LEU 17 4.637 6.290 -1.694
154 HD23 LEU 17 2HD2 LEU 17 4.078 4.710 -1.152
155 H HIS 18 H HIS 18 5.099 3.084 -0.759
156 HA HIS 18 HA HIS 18 7.655 4.370 -1.205
157 HB2 HIS 18 2HB HIS 18 7.652 4.911 1.132
158 HB3 HIS 18 1HB HIS 18 6.070 5.207 0.451
159 HD1 HIS 18 1HD HIS 18 7.859 2.973 2.849
160 HD2 HIS 18 2HD HIS 18 4.004 3.564 1.372
161 HE1 HIS 18 1HE HIS 18 6.312 1.671 4.369
162 HE2 HIS 18 2HE HIS 18 3.946 2.049 3.519
163 H LEU 19 H LEU 19 6.493 1.494 0.377
164 HA LEU 19 HA LEU 19 8.887 0.419 1.333
165 HB2 LEU 19 2HB LEU 19 6.285 -0.619 0.617
166 HB3 LEU 19 1HB LEU 19 7.535 -1.718 0.052
167 HG LEU 19 HG LEU 19 6.969 -2.367 2.274
168 HD11 LEU 19 1HD1 LEU 19 9.522 -1.739 1.520
169 HD12 LEU 19 2HD1 LEU 19 9.112 -2.576 3.015
170 HD13 LEU 19 3HD1 LEU 19 9.376 -0.831 3.022
171 HD21 LEU 19 3HD2 LEU 19 5.926 -0.179 2.912
172 HD22 LEU 19 1HD2 LEU 19 7.550 0.485 3.118
173 HD23 LEU 19 2HD2 LEU 19 6.988 -0.817 4.162
174 H ALA 20 H ALA 20 7.570 0.749 -1.821
175 HA ALA 20 HA ALA 20 9.520 -0.868 -3.195
176 HB1 ALA 20 1HB ALA 20 7.601 -0.641 -4.480
177 HB2 ALA 20 2HB ALA 20 8.635 0.595 -5.198
178 HB3 ALA 20 3HB ALA 20 7.387 1.047 -4.039
179 H LEU 21 H LEU 21 8.921 2.606 -3.175
180 HA LEU 21 HA LEU 21 11.252 3.449 -4.412
181 HB2 LEU 21 2HB LEU 21 9.286 4.632 -2.578
182 HB3 LEU 21 1HB LEU 21 10.875 5.385 -2.503
183 HG LEU 21 HG LEU 21 9.277 6.386 -4.206
184 HD11 LEU 21 1HD1 LEU 21 11.321 7.112 -4.837
185 HD12 LEU 21 2HD1 LEU 21 11.228 5.878 -6.092
186 HD13 LEU 21 3HD1 LEU 21 12.064 5.535 -4.578
187 HD21 LEU 21 3HD2 LEU 21 8.543 5.187 -6.037
188 HD22 LEU 21 1HD2 LEU 21 8.653 3.861 -4.882
189 HD23 LEU 21 2HD2 LEU 21 9.952 4.127 -6.045
190 H ALA 22 H ALA 22 10.632 2.703 -1.057
191 HA ALA 22 HA ALA 22 13.095 3.365 0.074
192 HB1 ALA 22 1HB ALA 22 12.487 1.976 1.912
193 HB2 ALA 22 2HB ALA 22 11.421 0.998 0.900
194 HB3 ALA 22 3HB ALA 22 10.984 2.661 1.291
195 H LEU 23 H LEU 23 12.016 0.439 -1.522
196 HA LEU 23 HA LEU 23 14.227 -1.214 -1.042
197 HB2 LEU 23 2HB LEU 23 11.879 -1.392 -2.498
198 HB3 LEU 23 1HB LEU 23 13.127 -1.460 -3.743
199 HG LEU 23 HG LEU 23 13.129 -3.190 -1.249
200 HD11 LEU 23 1HD1 LEU 23 11.515 -3.394 -3.606
201 HD12 LEU 23 2HD1 LEU 23 11.646 -4.543 -2.275
202 HD13 LEU 23 3HD1 LEU 23 12.723 -4.679 -3.664
203 HD21 LEU 23 3HD2 LEU 23 14.714 -3.313 -3.838
204 HD22 LEU 23 1HD2 LEU 23 14.837 -4.462 -2.511
205 HD23 LEU 23 2HD2 LEU 23 15.343 -2.791 -2.276
206 H LYS 24 H LYS 24 13.615 1.168 -3.512
207 HA LYS 24 HA LYS 24 16.176 0.751 -4.806
208 HB2 LYS 24 2HB LYS 24 14.417 3.093 -5.408
209 HB3 LYS 24 1HB LYS 24 15.413 2.134 -6.503
210 HG2 LYS 24 2HG LYS 24 13.773 0.181 -5.841
211 HG3 LYS 24 1HG LYS 24 12.697 1.496 -5.368
212 HD2 LYS 24 2HD LYS 24 13.894 0.992 -8.108
213 HD3 LYS 24 1HD LYS 24 12.186 0.958 -7.657
214 HE2 LYS 24 2HE LYS 24 12.520 3.428 -6.946
215 HE3 LYS 24 1HE LYS 24 14.018 3.350 -7.868
216 HZ1 LYS 24 3HZ LYS 24 12.087 4.164 -9.154
217 HZ2 LYS 24 1HZ LYS 24 11.356 2.647 -8.979
218 HZ3 LYS 24 2HZ LYS 24 12.819 2.790 -9.831
219 H LYS 25 H LYS 25 14.639 3.253 -2.839
220 HA LYS 25 HA LYS 25 17.330 4.389 -2.363
221 HB2 LYS 25 2HB LYS 25 14.782 5.796 -3.094
222 HB3 LYS 25 1HB LYS 25 16.020 6.622 -2.153
223 HG2 LYS 25 2HG LYS 25 16.903 5.142 -4.597
224 HG3 LYS 25 1HG LYS 25 16.039 6.659 -4.831
225 HD2 LYS 25 2HD LYS 25 18.435 6.376 -2.986
226 HD3 LYS 25 1HD LYS 25 18.563 6.895 -4.666
227 HE2 LYS 25 2HE LYS 25 17.211 8.304 -2.369
228 HE3 LYS 25 1HE LYS 25 18.428 8.933 -3.475
229 HZ1 LYS 25 3HZ LYS 25 16.605 9.839 -4.427
230 HZ2 LYS 25 1HZ LYS 25 15.546 8.658 -3.832
231 HZ3 LYS 25 2HZ LYS 25 16.504 8.332 -5.197
232 H ALA 26 H ALA 26 17.867 4.313 -0.292
233 HA ALA 26 HA ALA 26 15.852 4.881 1.759
234 HB1 ALA 26 1HB ALA 26 17.672 2.492 2.036
235 HB2 ALA 26 2HB ALA 26 16.042 2.354 1.379
236 HB3 ALA 26 3HB ALA 26 16.279 2.926 3.030
Start of MODEL 14
1 H1 LYS 1 1HT LYS 1 -15.595 6.085 -1.162
2 H2 LYS 1 2HT LYS 1 -17.248 6.465 -1.124
3 H3 LYS 1 3HT LYS 1 -16.250 6.896 0.174
4 HA LYS 1 HA LYS 1 -16.932 8.664 -1.569
5 HB2 LYS 1 2HB LYS 1 -14.117 8.229 -0.520
6 HB3 LYS 1 1HB LYS 1 -14.637 9.717 -1.310
7 HG2 LYS 1 2HG LYS 1 -16.188 8.610 1.028
8 HG3 LYS 1 1HG LYS 1 -14.752 9.592 1.293
9 HD2 LYS 1 2HD LYS 1 -16.348 10.905 -0.686
10 HD3 LYS 1 1HD LYS 1 -17.401 10.467 0.656
11 HE2 LYS 1 2HE LYS 1 -16.381 12.694 0.997
12 HE3 LYS 1 1HE LYS 1 -15.872 11.548 2.238
13 HZ1 LYS 1 2HZ LYS 1 -13.786 11.285 1.227
14 HZ2 LYS 1 3HZ LYS 1 -14.083 12.955 1.198
15 HZ3 LYS 1 1HZ LYS 1 -14.282 12.041 -0.215
16 H LYS 2 H LYS 2 -16.654 9.281 -3.662
17 HA LYS 2 HA LYS 2 -16.117 9.133 -5.884
18 HB2 LYS 2 2HB LYS 2 -13.703 9.166 -4.485
19 HB3 LYS 2 1HB LYS 2 -13.527 7.841 -5.635
20 HG2 LYS 2 2HG LYS 2 -12.807 9.800 -6.802
21 HG3 LYS 2 1HG LYS 2 -14.427 9.461 -7.410
22 HD2 LYS 2 2HD LYS 2 -15.257 11.045 -5.542
23 HD3 LYS 2 1HD LYS 2 -13.577 11.569 -5.428
24 HE2 LYS 2 2HE LYS 2 -15.548 11.968 -7.646
25 HE3 LYS 2 1HE LYS 2 -14.348 13.084 -6.998
26 HZ1 LYS 2 3HZ LYS 2 -12.639 11.535 -7.987
27 HZ2 LYS 2 1HZ LYS 2 -13.555 12.432 -9.094
28 HZ3 LYS 2 2HZ LYS 2 -13.913 10.793 -8.828
29 H ALA 3 H ALA 3 -15.145 7.514 -7.592
30 HA ALA 3 HA ALA 3 -16.756 5.160 -7.458
31 HB1 ALA 3 1HB ALA 3 -15.547 4.603 -9.621
32 HB2 ALA 3 2HB ALA 3 -14.667 6.114 -9.414
33 HB3 ALA 3 3HB ALA 3 -16.419 6.136 -9.603
34 H LEU 4 H LEU 4 -15.049 5.093 -5.259
35 HA LEU 4 HA LEU 4 -13.590 2.616 -5.836
36 HB2 LEU 4 2HB LEU 4 -11.674 3.394 -4.421
37 HB3 LEU 4 1HB LEU 4 -11.836 4.278 -5.935
38 HG LEU 4 HG LEU 4 -13.323 5.896 -4.461
39 HD11 LEU 4 1HD1 LEU 4 -12.016 6.005 -2.173
40 HD12 LEU 4 2HD1 LEU 4 -11.735 4.292 -2.477
41 HD13 LEU 4 3HD1 LEU 4 -13.386 4.905 -2.349
42 HD21 LEU 4 3HD2 LEU 4 -10.305 5.878 -4.182
43 HD22 LEU 4 1HD2 LEU 4 -11.363 7.280 -4.088
44 HD23 LEU 4 2HD2 LEU 4 -11.160 6.432 -5.623
45 H LEU 5 H LEU 5 -12.552 2.137 -3.357
46 HA LEU 5 HA LEU 5 -14.668 2.497 -1.374
47 HB2 LEU 5 2HB LEU 5 -15.141 0.399 -2.797
48 HB3 LEU 5 1HB LEU 5 -13.716 -0.292 -2.023
49 HG LEU 5 HG LEU 5 -15.527 0.978 -0.099
50 HD11 LEU 5 1HD1 LEU 5 -16.995 -1.282 -0.404
51 HD12 LEU 5 2HD1 LEU 5 -16.621 -0.934 -2.091
52 HD13 LEU 5 3HD1 LEU 5 -17.453 0.267 -1.106
53 HD21 LEU 5 3HD2 LEU 5 -13.559 -0.654 0.258
54 HD22 LEU 5 1HD2 LEU 5 -14.673 -1.915 -0.258
55 HD23 LEU 5 2HD2 LEU 5 -15.033 -0.956 1.178
56 H ALA 6 H ALA 6 -13.950 2.063 0.769
57 HA ALA 6 HA ALA 6 -11.176 2.571 1.190
58 HB1 ALA 6 1HB ALA 6 -12.747 3.413 2.805
59 HB2 ALA 6 2HB ALA 6 -11.764 2.192 3.611
60 HB3 ALA 6 3HB ALA 6 -13.399 1.800 3.088
61 H LEU 7 H LEU 7 -10.728 0.577 -0.267
62 HA LEU 7 HA LEU 7 -10.880 -1.983 1.072
63 HB2 LEU 7 2HB LEU 7 -10.000 -2.920 -0.891
64 HB3 LEU 7 1HB LEU 7 -10.967 -1.568 -1.465
65 HG LEU 7 HG LEU 7 -7.959 -1.483 -1.026
66 HD11 LEU 7 1HD1 LEU 7 -8.944 -2.888 -2.980
67 HD12 LEU 7 2HD1 LEU 7 -7.717 -1.683 -3.368
68 HD13 LEU 7 3HD1 LEU 7 -9.420 -1.335 -3.658
69 HD21 LEU 7 3HD2 LEU 7 -8.896 0.721 -0.735
70 HD22 LEU 7 1HD2 LEU 7 -9.969 0.504 -2.114
71 HD23 LEU 7 2HD2 LEU 7 -8.236 0.660 -2.364
72 H ALA 8 H ALA 8 -8.651 -3.284 0.836
73 HA ALA 8 HA ALA 8 -6.687 -1.804 2.481
74 HB1 ALA 8 1HB ALA 8 -7.828 -3.819 3.457
75 HB2 ALA 8 2HB ALA 8 -6.070 -3.933 3.397
76 HB3 ALA 8 3HB ALA 8 -7.051 -4.785 2.206
77 H LEU 9 H LEU 9 -7.208 -3.131 -0.520
78 HA LEU 9 HA LEU 9 -4.676 -4.197 -1.186
79 HB2 LEU 9 2HB LEU 9 -7.160 -3.886 -2.403
80 HB3 LEU 9 1HB LEU 9 -6.037 -2.984 -3.415
81 HG LEU 9 HG LEU 9 -5.675 -5.869 -2.539
82 HD11 LEU 9 1HD1 LEU 9 -6.131 -6.421 -4.867
83 HD12 LEU 9 2HD1 LEU 9 -6.303 -4.713 -5.271
84 HD13 LEU 9 3HD1 LEU 9 -7.484 -5.497 -4.218
85 HD21 LEU 9 3HD2 LEU 9 -4.035 -3.988 -4.256
86 HD22 LEU 9 1HD2 LEU 9 -3.850 -5.741 -4.328
87 HD23 LEU 9 2HD2 LEU 9 -3.509 -4.879 -2.826
88 H HIS 10 H HIS 10 -6.125 -1.256 -2.482
89 HA HIS 10 HA HIS 10 -3.871 -0.040 -3.517
90 HB2 HIS 10 2HB HIS 10 -6.352 1.081 -2.241
91 HB3 HIS 10 1HB HIS 10 -5.037 2.156 -2.704
92 HD1 HIS 10 1HD HIS 10 -4.410 2.237 -5.276
93 HD2 HIS 10 2HD HIS 10 -7.857 0.064 -4.379
94 HE1 HIS 10 1HE HIS 10 -5.639 1.901 -7.463
95 HE2 HIS 10 2HE HIS 10 -7.740 0.570 -6.938
96 H HIS 11 H HIS 11 -5.175 -0.024 -0.321
97 HA HIS 11 HA HIS 11 -3.638 1.637 1.165
98 HB2 HIS 11 2HB HIS 11 -5.098 -0.853 1.533
99 HB3 HIS 11 1HB HIS 11 -3.733 -0.715 2.655
100 HD1 HIS 11 1HD HIS 11 -4.024 0.862 4.619
101 HD2 HIS 11 2HD HIS 11 -6.898 1.445 1.658
102 HE1 HIS 11 1HE HIS 11 -5.699 2.513 5.564
103 HE2 HIS 11 2HE HIS 11 -7.478 2.871 3.776
104 H LEU 12 H LEU 12 -2.882 -1.609 0.118
105 HA LEU 12 HA LEU 12 -0.213 -1.555 1.230
106 HB2 LEU 12 2HB LEU 12 -1.974 -3.580 0.505
107 HB3 LEU 12 1HB LEU 12 -0.731 -3.646 -0.742
108 HG LEU 12 HG LEU 12 -0.220 -3.669 2.252
109 HD11 LEU 12 1HD1 LEU 12 -0.282 -5.832 0.149
110 HD12 LEU 12 2HD1 LEU 12 -1.089 -5.801 1.717
111 HD13 LEU 12 3HD1 LEU 12 0.660 -6.015 1.628
112 HD21 LEU 12 3HD2 LEU 12 1.681 -2.659 1.228
113 HD22 LEU 12 1HD2 LEU 12 1.604 -3.741 -0.167
114 HD23 LEU 12 2HD2 LEU 12 2.120 -4.358 1.401
115 H ALA 13 H ALA 13 -1.694 -1.517 -1.949
116 HA ALA 13 HA ALA 13 0.583 -1.465 -3.545
117 HB1 ALA 13 1HB ALA 13 -1.880 0.205 -4.079
118 HB2 ALA 13 2HB ALA 13 -1.823 -1.537 -4.355
119 HB3 ALA 13 3HB ALA 13 -0.762 -0.463 -5.266
120 H HIS 14 H HIS 14 -0.992 1.162 -1.826
121 HA HIS 14 HA HIS 14 0.827 3.128 -2.873
122 HB2 HIS 14 2HB HIS 14 -0.627 4.564 -2.081
123 HB3 HIS 14 1HB HIS 14 -1.644 3.217 -1.637
124 HD1 HIS 14 1HD HIS 14 1.163 5.339 -0.139
125 HD2 HIS 14 2HD HIS 14 -2.159 3.114 1.065
126 HE1 HIS 14 1HE HIS 14 0.882 5.742 2.348
127 HE2 HIS 14 2HE HIS 14 -1.128 4.380 3.101
128 H LEU 15 H LEU 15 0.499 1.300 0.100
129 HA LEU 15 HA LEU 15 2.650 2.449 1.529
130 HB2 LEU 15 2HB LEU 15 1.261 -0.201 1.515
131 HB3 LEU 15 1HB LEU 15 2.853 -0.137 2.254
132 HG LEU 15 HG LEU 15 2.136 1.114 4.021
133 HD11 LEU 15 1HD1 LEU 15 0.237 2.359 2.051
134 HD12 LEU 15 2HD1 LEU 15 1.481 3.140 3.023
135 HD13 LEU 15 3HD1 LEU 15 -0.006 2.578 3.779
136 HD21 LEU 15 3HD2 LEU 15 -0.221 -0.377 2.919
137 HD22 LEU 15 1HD2 LEU 15 -0.387 0.555 4.404
138 HD23 LEU 15 2HD2 LEU 15 0.782 -0.761 4.316
139 H ALA 16 H ALA 16 2.213 0.091 -0.907
140 HA ALA 16 HA ALA 16 4.869 -0.912 -1.073
141 HB1 ALA 16 1HB ALA 16 3.134 -0.754 -3.510
142 HB2 ALA 16 2HB ALA 16 2.634 -1.786 -2.168
143 HB3 ALA 16 3HB ALA 16 4.179 -2.064 -2.966
144 H LEU 17 H LEU 17 3.301 1.899 -2.316
145 HA LEU 17 HA LEU 17 5.144 2.578 -4.317
146 HB2 LEU 17 2HB LEU 17 3.656 4.237 -4.635
147 HB3 LEU 17 1HB LEU 17 2.809 3.700 -3.195
148 HG LEU 17 HG LEU 17 4.534 5.141 -1.895
149 HD11 LEU 17 1HD1 LEU 17 4.684 6.760 -4.405
150 HD12 LEU 17 2HD1 LEU 17 5.797 5.399 -4.237
151 HD13 LEU 17 3HD1 LEU 17 5.803 6.701 -3.044
152 HD21 LEU 17 3HD2 LEU 17 2.513 6.491 -3.699
153 HD22 LEU 17 1HD2 LEU 17 3.151 7.129 -2.187
154 HD23 LEU 17 2HD2 LEU 17 2.137 5.687 -2.174
155 H HIS 18 H HIS 18 5.015 3.468 -0.910
156 HA HIS 18 HA HIS 18 7.579 4.826 -1.182
157 HB2 HIS 18 2HB HIS 18 7.443 5.274 1.169
158 HB3 HIS 18 1HB HIS 18 5.915 5.623 0.395
159 HD1 HIS 18 1HD HIS 18 7.513 3.256 2.818
160 HD2 HIS 18 2HD HIS 18 3.758 4.030 1.165
161 HE1 HIS 18 1HE HIS 18 5.838 1.974 4.215
162 HE2 HIS 18 2HE HIS 18 3.534 2.484 3.273
163 H LEU 19 H LEU 19 6.329 1.936 0.302
164 HA LEU 19 HA LEU 19 8.667 0.850 1.377
165 HB2 LEU 19 2HB LEU 19 6.399 -0.506 -0.089
166 HB3 LEU 19 1HB LEU 19 7.679 -1.388 0.737
167 HG LEU 19 HG LEU 19 6.013 0.704 2.128
168 HD11 LEU 19 1HD1 LEU 19 4.653 -1.161 3.000
169 HD12 LEU 19 2HD1 LEU 19 5.556 -2.291 1.994
170 HD13 LEU 19 3HD1 LEU 19 4.532 -1.071 1.243
171 HD21 LEU 19 3HD2 LEU 19 6.792 -0.745 4.092
172 HD22 LEU 19 1HD2 LEU 19 8.032 0.214 3.288
173 HD23 LEU 19 2HD2 LEU 19 7.894 -1.510 2.952
174 H ALA 20 H ALA 20 7.482 1.185 -1.852
175 HA ALA 20 HA ALA 20 9.338 -0.500 -3.194
176 HB1 ALA 20 1HB ALA 20 8.894 1.422 -5.048
177 HB2 ALA 20 2HB ALA 20 7.512 1.686 -3.992
178 HB3 ALA 20 3HB ALA 20 7.770 0.108 -4.727
179 H LEU 21 H LEU 21 9.333 3.015 -2.897
180 HA LEU 21 HA LEU 21 11.851 3.577 -3.877
181 HB2 LEU 21 2HB LEU 21 10.531 4.901 -1.496
182 HB3 LEU 21 1HB LEU 21 11.841 5.580 -2.455
183 HG LEU 21 HG LEU 21 9.262 4.731 -3.769
184 HD11 LEU 21 1HD1 LEU 21 9.771 7.556 -2.862
185 HD12 LEU 21 2HD1 LEU 21 8.989 6.405 -1.783
186 HD13 LEU 21 3HD1 LEU 21 8.246 6.800 -3.332
187 HD21 LEU 21 3HD2 LEU 21 11.079 5.207 -5.285
188 HD22 LEU 21 1HD2 LEU 21 11.500 6.672 -4.400
189 HD23 LEU 21 2HD2 LEU 21 10.002 6.602 -5.324
190 H ALA 22 H ALA 22 10.937 2.814 -0.574
191 HA ALA 22 HA ALA 22 13.419 2.892 0.664
192 HB1 ALA 22 1HB ALA 22 12.383 0.947 2.091
193 HB2 ALA 22 2HB ALA 22 10.932 1.296 1.151
194 HB3 ALA 22 3HB ALA 22 11.662 2.555 2.144
195 H LEU 23 H LEU 23 11.917 0.254 -1.127
196 HA LEU 23 HA LEU 23 14.150 -1.538 -0.767
197 HB2 LEU 23 2HB LEU 23 11.786 -1.612 -2.657
198 HB3 LEU 23 1HB LEU 23 12.985 -2.900 -2.515
199 HG LEU 23 HG LEU 23 11.601 -1.902 -0.039
200 HD11 LEU 23 1HD1 LEU 23 9.748 -2.351 -1.561
201 HD12 LEU 23 2HD1 LEU 23 9.871 -3.683 -0.411
202 HD13 LEU 23 3HD1 LEU 23 10.480 -3.874 -2.055
203 HD21 LEU 23 3HD2 LEU 23 13.020 -4.383 -0.985
204 HD22 LEU 23 1HD2 LEU 23 11.848 -4.506 0.327
205 HD23 LEU 23 2HD2 LEU 23 13.260 -3.466 0.502
206 H LYS 24 H LYS 24 12.818 0.326 -3.426
207 HA LYS 24 HA LYS 24 14.600 -0.212 -5.444
208 HB2 LYS 24 2HB LYS 24 12.513 1.374 -5.352
209 HB3 LYS 24 1HB LYS 24 13.706 2.617 -4.981
210 HG2 LYS 24 2HG LYS 24 14.412 0.850 -7.253
211 HG3 LYS 24 1HG LYS 24 13.010 1.880 -7.519
212 HD2 LYS 24 2HD LYS 24 15.416 3.148 -6.280
213 HD3 LYS 24 1HD LYS 24 15.508 2.744 -7.994
214 HE2 LYS 24 2HE LYS 24 13.503 4.554 -6.623
215 HE3 LYS 24 1HE LYS 24 14.662 4.980 -7.878
216 HZ1 LYS 24 3HZ LYS 24 13.315 3.050 -9.098
217 HZ2 LYS 24 1HZ LYS 24 12.893 4.688 -9.200
218 HZ3 LYS 24 2HZ LYS 24 12.086 3.675 -8.106
219 H LYS 25 H LYS 25 14.854 2.315 -2.999
220 HA LYS 25 HA LYS 25 17.788 2.253 -3.317
221 HB2 LYS 25 2HB LYS 25 16.761 4.212 -4.532
222 HB3 LYS 25 1HB LYS 25 16.190 4.797 -2.970
223 HG2 LYS 25 2HG LYS 25 18.969 4.095 -2.747
224 HG3 LYS 25 1HG LYS 25 18.762 5.165 -4.130
225 HD2 LYS 25 2HD LYS 25 18.724 6.880 -2.662
226 HD3 LYS 25 1HD LYS 25 17.145 6.294 -2.145
227 HE2 LYS 25 2HE LYS 25 18.884 6.600 -0.295
228 HE3 LYS 25 1HE LYS 25 18.093 5.027 -0.355
229 HZ1 LYS 25 3HZ LYS 25 20.339 4.961 -2.034
230 HZ2 LYS 25 1HZ LYS 25 20.057 4.072 -0.607
231 HZ3 LYS 25 2HZ LYS 25 20.819 5.596 -0.533
232 H ALA 26 H ALA 26 18.206 1.209 -1.425
233 HA ALA 26 HA ALA 26 16.970 2.117 1.061
234 HB1 ALA 26 1HB ALA 26 17.781 0.170 2.036
235 HB2 ALA 26 2HB ALA 26 19.161 0.071 0.944
236 HB3 ALA 26 3HB ALA 26 17.547 -0.355 0.370
Start of MODEL 15
1 H1 LYS 1 1HT LYS 1 -21.825 -1.543 -7.191
2 H2 LYS 1 2HT LYS 1 -20.183 -1.361 -7.567
3 H3 LYS 1 3HT LYS 1 -21.232 -0.033 -7.665
4 HA LYS 1 HA LYS 1 -19.659 -0.590 -5.560
5 HB2 LYS 1 2HB LYS 1 -22.347 0.828 -5.515
6 HB3 LYS 1 1HB LYS 1 -21.027 1.071 -4.371
7 HG2 LYS 1 2HG LYS 1 -19.668 1.539 -6.645
8 HG3 LYS 1 1HG LYS 1 -21.277 1.994 -7.206
9 HD2 LYS 1 2HD LYS 1 -21.375 3.355 -4.952
10 HD3 LYS 1 1HD LYS 1 -19.617 3.226 -5.015
11 HE2 LYS 1 2HE LYS 1 -20.320 5.300 -6.109
12 HE3 LYS 1 1HE LYS 1 -19.658 4.196 -7.313
13 HZ1 LYS 1 2HZ LYS 1 -22.535 4.089 -6.775
14 HZ2 LYS 1 3HZ LYS 1 -21.694 3.809 -8.217
15 HZ3 LYS 1 1HZ LYS 1 -21.942 5.398 -7.683
16 H LYS 2 H LYS 2 -20.665 -0.726 -3.209
17 HA LYS 2 HA LYS 2 -22.849 -2.460 -2.745
18 HB2 LYS 2 2HB LYS 2 -20.475 -3.787 -3.575
19 HB3 LYS 2 1HB LYS 2 -20.647 -4.079 -1.847
20 HG2 LYS 2 2HG LYS 2 -23.010 -4.403 -3.700
21 HG3 LYS 2 1HG LYS 2 -21.837 -5.703 -3.503
22 HD2 LYS 2 2HD LYS 2 -22.197 -5.522 -1.000
23 HD3 LYS 2 1HD LYS 2 -23.541 -4.432 -1.343
24 HE2 LYS 2 2HE LYS 2 -23.265 -7.330 -2.182
25 HE3 LYS 2 1HE LYS 2 -24.473 -6.634 -1.102
26 HZ1 LYS 2 3HZ LYS 2 -24.223 -6.316 -4.021
27 HZ2 LYS 2 1HZ LYS 2 -25.074 -5.188 -3.087
28 HZ3 LYS 2 2HZ LYS 2 -25.569 -6.808 -3.109
29 H ALA 3 H ALA 3 -22.150 -3.627 -0.395
30 HA ALA 3 HA ALA 3 -22.103 -1.438 1.409
31 HB1 ALA 3 1HB ALA 3 -22.592 -2.986 3.009
32 HB2 ALA 3 2HB ALA 3 -21.339 -4.101 2.464
33 HB3 ALA 3 3HB ALA 3 -22.889 -4.035 1.623
34 H LEU 4 H LEU 4 -20.441 -0.520 2.545
35 HA LEU 4 HA LEU 4 -18.286 0.013 3.158
36 HB2 LEU 4 2HB LEU 4 -18.524 -2.685 3.631
37 HB3 LEU 4 1HB LEU 4 -17.126 -2.630 2.564
38 HG LEU 4 HG LEU 4 -16.170 -0.810 4.062
39 HD11 LEU 4 1HD1 LEU 4 -17.393 0.019 5.765
40 HD12 LEU 4 2HD1 LEU 4 -17.706 -1.599 6.395
41 HD13 LEU 4 3HD1 LEU 4 -18.767 -0.911 5.165
42 HD21 LEU 4 3HD2 LEU 4 -16.756 -3.504 5.337
43 HD22 LEU 4 1HD2 LEU 4 -15.478 -2.395 5.831
44 HD23 LEU 4 2HD2 LEU 4 -15.421 -3.150 4.237
45 H LEU 5 H LEU 5 -15.915 -1.373 2.008
46 HA LEU 5 HA LEU 5 -15.943 -1.130 -0.822
47 HB2 LEU 5 2HB LEU 5 -16.139 1.307 -0.057
48 HB3 LEU 5 1HB LEU 5 -14.505 1.127 0.581
49 HG LEU 5 HG LEU 5 -13.891 0.260 -1.780
50 HD11 LEU 5 1HD1 LEU 5 -16.491 0.196 -2.275
51 HD12 LEU 5 2HD1 LEU 5 -15.351 0.635 -3.550
52 HD13 LEU 5 3HD1 LEU 5 -16.240 1.890 -2.684
53 HD21 LEU 5 3HD2 LEU 5 -14.194 2.946 -0.720
54 HD22 LEU 5 1HD2 LEU 5 -14.391 2.942 -2.476
55 HD23 LEU 5 2HD2 LEU 5 -12.922 2.299 -1.753
56 H ALA 6 H ALA 6 -14.191 -2.145 -1.630
57 HA ALA 6 HA ALA 6 -12.471 -3.600 0.042
58 HB1 ALA 6 1HB ALA 6 -13.022 -4.080 -2.402
59 HB2 ALA 6 2HB ALA 6 -11.335 -4.291 -1.936
60 HB3 ALA 6 3HB ALA 6 -11.831 -2.846 -2.816
61 H LEU 7 H LEU 7 -11.408 -2.313 1.535
62 HA LEU 7 HA LEU 7 -9.548 -0.289 0.453
63 HB2 LEU 7 2HB LEU 7 -11.204 -0.434 2.859
64 HB3 LEU 7 1HB LEU 7 -9.526 -0.035 3.213
65 HG LEU 7 HG LEU 7 -9.735 1.669 1.259
66 HD11 LEU 7 1HD1 LEU 7 -12.657 1.168 1.926
67 HD12 LEU 7 2HD1 LEU 7 -11.876 0.841 0.378
68 HD13 LEU 7 3HD1 LEU 7 -12.055 2.501 0.940
69 HD21 LEU 7 3HD2 LEU 7 -10.985 1.886 3.989
70 HD22 LEU 7 1HD2 LEU 7 -11.038 3.257 2.885
71 HD23 LEU 7 2HD2 LEU 7 -9.486 2.601 3.401
72 H ALA 8 H ALA 8 -7.539 -0.097 1.940
73 HA ALA 8 HA ALA 8 -5.650 -1.007 2.892
74 HB1 ALA 8 1HB ALA 8 -6.862 -3.744 2.946
75 HB2 ALA 8 2HB ALA 8 -7.421 -2.528 4.096
76 HB3 ALA 8 3HB ALA 8 -5.724 -3.010 4.075
77 H LEU 9 H LEU 9 -7.310 -2.501 0.306
78 HA LEU 9 HA LEU 9 -5.260 -4.151 -0.710
79 HB2 LEU 9 2HB LEU 9 -7.819 -3.017 -1.649
80 HB3 LEU 9 1HB LEU 9 -6.664 -3.418 -2.918
81 HG LEU 9 HG LEU 9 -6.408 -5.692 -1.742
82 HD11 LEU 9 1HD1 LEU 9 -7.456 -5.035 0.384
83 HD12 LEU 9 2HD1 LEU 9 -8.339 -6.366 -0.360
84 HD13 LEU 9 3HD1 LEU 9 -8.977 -4.728 -0.456
85 HD21 LEU 9 3HD2 LEU 9 -9.091 -4.956 -2.949
86 HD22 LEU 9 1HD2 LEU 9 -8.427 -6.582 -2.841
87 HD23 LEU 9 2HD2 LEU 9 -7.643 -5.378 -3.859
88 H HIS 10 H HIS 10 -6.454 -1.229 -2.213
89 HA HIS 10 HA HIS 10 -4.060 -0.739 -3.677
90 HB2 HIS 10 2HB HIS 10 -5.122 1.112 -4.504
91 HB3 HIS 10 1HB HIS 10 -6.521 0.209 -3.944
92 HD1 HIS 10 1HD HIS 10 -4.205 3.014 -2.820
93 HD2 HIS 10 2HD HIS 10 -8.021 1.509 -2.002
94 HE1 HIS 10 1HE HIS 10 -5.327 4.686 -1.265
95 HE2 HIS 10 2HE HIS 10 -7.635 3.754 -0.707
96 H HIS 11 H HIS 11 -5.374 0.187 -0.675
97 HA HIS 11 HA HIS 11 -3.687 2.171 0.249
98 HB2 HIS 11 2HB HIS 11 -5.471 0.132 1.291
99 HB3 HIS 11 1HB HIS 11 -4.105 0.425 2.373
100 HD1 HIS 11 1HD HIS 11 -3.788 2.949 3.221
101 HD2 HIS 11 2HD HIS 11 -7.371 2.179 1.219
102 HE1 HIS 11 1HE HIS 11 -5.317 4.914 3.692
103 HE2 HIS 11 2HE HIS 11 -7.493 4.472 2.455
104 H LEU 12 H LEU 12 -3.257 -1.239 -0.248
105 HA LEU 12 HA LEU 12 -0.792 -1.395 1.287
106 HB2 LEU 12 2HB LEU 12 -2.587 -3.265 0.327
107 HB3 LEU 12 1HB LEU 12 -1.244 -3.430 -0.797
108 HG LEU 12 HG LEU 12 0.260 -3.493 1.293
109 HD11 LEU 12 1HD1 LEU 12 -2.012 -2.810 2.592
110 HD12 LEU 12 2HD1 LEU 12 -0.690 -3.684 3.367
111 HD13 LEU 12 3HD1 LEU 12 -2.095 -4.563 2.755
112 HD21 LEU 12 3HD2 LEU 12 -1.480 -5.890 1.367
113 HD22 LEU 12 1HD2 LEU 12 0.253 -5.767 1.069
114 HD23 LEU 12 2HD2 LEU 12 -0.889 -5.442 -0.233
115 H ALA 13 H ALA 13 -1.819 -1.240 -2.015
116 HA ALA 13 HA ALA 13 0.669 -1.410 -3.320
117 HB1 ALA 13 1HB ALA 13 -1.493 -1.402 -4.536
118 HB2 ALA 13 2HB ALA 13 -0.378 -0.195 -5.178
119 HB3 ALA 13 3HB ALA 13 -1.701 0.299 -4.124
120 H HIS 14 H HIS 14 -0.903 1.124 -1.597
121 HA HIS 14 HA HIS 14 0.777 3.287 -2.360
122 HB2 HIS 14 2HB HIS 14 -1.144 4.053 -1.451
123 HB3 HIS 14 1HB HIS 14 -1.299 2.733 -0.322
124 HD1 HIS 14 1HD HIS 14 1.281 5.538 -0.779
125 HD2 HIS 14 2HD HIS 14 -0.946 3.661 2.210
126 HE1 HIS 14 1HE HIS 14 1.908 6.674 1.404
127 HE2 HIS 14 2HE HIS 14 0.539 5.560 3.238
128 H LEU 15 H LEU 15 0.634 1.214 0.492
129 HA LEU 15 HA LEU 15 2.963 2.171 1.766
130 HB2 LEU 15 2HB LEU 15 1.558 -0.504 1.747
131 HB3 LEU 15 1HB LEU 15 3.084 -0.301 2.595
132 HG LEU 15 HG LEU 15 2.147 0.980 4.256
133 HD11 LEU 15 1HD1 LEU 15 1.453 2.876 2.974
134 HD12 LEU 15 2HD1 LEU 15 0.029 2.345 3.868
135 HD13 LEU 15 3HD1 LEU 15 0.195 1.946 2.161
136 HD21 LEU 15 3HD2 LEU 15 0.507 -0.377 4.998
137 HD22 LEU 15 1HD2 LEU 15 0.591 -1.183 3.435
138 HD23 LEU 15 2HD2 LEU 15 -0.579 0.111 3.696
139 H ALA 16 H ALA 16 2.220 -0.128 -0.663
140 HA ALA 16 HA ALA 16 4.806 -1.252 -1.012
141 HB1 ALA 16 1HB ALA 16 3.944 -2.305 -2.910
142 HB2 ALA 16 2HB ALA 16 2.867 -0.963 -3.282
143 HB3 ALA 16 3HB ALA 16 2.499 -2.040 -1.938
144 H LEU 17 H LEU 17 3.290 1.637 -2.131
145 HA LEU 17 HA LEU 17 5.024 2.267 -4.249
146 HB2 LEU 17 2HB LEU 17 3.616 4.003 -4.472
147 HB3 LEU 17 1HB LEU 17 2.788 3.442 -3.031
148 HG LEU 17 HG LEU 17 4.480 4.797 -1.685
149 HD11 LEU 17 1HD1 LEU 17 5.727 5.060 -4.175
150 HD12 LEU 17 2HD1 LEU 17 6.107 5.985 -2.722
151 HD13 LEU 17 3HD1 LEU 17 4.974 6.630 -3.908
152 HD21 LEU 17 3HD2 LEU 17 2.066 5.500 -2.853
153 HD22 LEU 17 1HD2 LEU 17 3.124 6.834 -3.299
154 HD23 LEU 17 2HD2 LEU 17 2.906 6.414 -1.603
155 H HIS 18 H HIS 18 5.125 3.304 -0.862
156 HA HIS 18 HA HIS 18 7.716 4.525 -1.327
157 HB2 HIS 18 2HB HIS 18 7.722 5.132 0.961
158 HB3 HIS 18 1HB HIS 18 6.100 5.348 0.339
159 HD1 HIS 18 1HD HIS 18 8.034 3.412 2.836
160 HD2 HIS 18 2HD HIS 18 4.176 3.493 1.251
161 HE1 HIS 18 1HE HIS 18 6.591 2.043 4.413
162 HE2 HIS 18 2HE HIS 18 4.220 2.116 3.482
163 H LEU 19 H LEU 19 6.441 1.612 0.053
164 HA LEU 19 HA LEU 19 8.753 0.456 1.124
165 HB2 LEU 19 2HB LEU 19 6.239 -0.543 -0.026
166 HB3 LEU 19 1HB LEU 19 7.585 -1.650 -0.250
167 HG LEU 19 HG LEU 19 6.492 -2.179 1.822
168 HD11 LEU 19 1HD1 LEU 19 8.405 -2.397 3.054
169 HD12 LEU 19 2HD1 LEU 19 8.795 -0.680 2.936
170 HD13 LEU 19 3HD1 LEU 19 9.160 -1.764 1.592
171 HD21 LEU 19 3HD2 LEU 19 6.779 -0.174 3.606
172 HD22 LEU 19 1HD2 LEU 19 5.319 -0.397 2.640
173 HD23 LEU 19 2HD2 LEU 19 6.544 0.764 2.132
174 H ALA 20 H ALA 20 7.660 1.033 -2.096
175 HA ALA 20 HA ALA 20 9.633 -0.516 -3.497
176 HB1 ALA 20 1HB ALA 20 7.433 0.539 -4.417
177 HB2 ALA 20 2HB ALA 20 8.851 0.491 -5.458
178 HB3 ALA 20 3HB ALA 20 8.418 1.985 -4.632
179 H LEU 21 H LEU 21 9.293 2.954 -3.024
180 HA LEU 21 HA LEU 21 11.752 3.816 -3.941
181 HB2 LEU 21 2HB LEU 21 10.333 4.872 -1.482
182 HB3 LEU 21 1HB LEU 21 11.511 5.743 -2.467
183 HG LEU 21 HG LEU 21 8.795 4.756 -3.405
184 HD11 LEU 21 1HD1 LEU 21 8.831 6.767 -1.883
185 HD12 LEU 21 2HD1 LEU 21 8.193 7.090 -3.497
186 HD13 LEU 21 3HD1 LEU 21 9.837 7.582 -3.084
187 HD21 LEU 21 3HD2 LEU 21 10.036 4.676 -5.361
188 HD22 LEU 21 1HD2 LEU 21 11.184 5.900 -4.806
189 HD23 LEU 21 2HD2 LEU 21 9.578 6.382 -5.363
190 H ALA 22 H ALA 22 10.840 2.776 -0.715
191 HA ALA 22 HA ALA 22 13.336 2.967 0.539
192 HB1 ALA 22 1HB ALA 22 12.462 1.433 2.199
193 HB2 ALA 22 2HB ALA 22 11.225 0.866 1.078
194 HB3 ALA 22 3HB ALA 22 11.162 2.514 1.698
195 H LEU 23 H LEU 23 11.876 0.369 -1.319
196 HA LEU 23 HA LEU 23 13.923 -1.543 -0.985
197 HB2 LEU 23 2HB LEU 23 11.487 -1.422 -2.365
198 HB3 LEU 23 1HB LEU 23 12.701 -1.653 -3.620
199 HG LEU 23 HG LEU 23 12.794 -3.322 -1.115
200 HD11 LEU 23 1HD1 LEU 23 10.483 -3.451 -2.059
201 HD12 LEU 23 2HD1 LEU 23 11.359 -4.977 -2.152
202 HD13 LEU 23 3HD1 LEU 23 11.177 -3.977 -3.591
203 HD21 LEU 23 3HD2 LEU 23 13.750 -4.957 -2.790
204 HD22 LEU 23 1HD2 LEU 23 14.707 -3.489 -2.584
205 HD23 LEU 23 2HD2 LEU 23 13.666 -3.674 -3.997
206 H LYS 24 H LYS 24 13.294 0.841 -3.496
207 HA LYS 24 HA LYS 24 15.609 0.353 -5.041
208 HB2 LYS 24 2HB LYS 24 13.456 1.861 -5.477
209 HB3 LYS 24 1HB LYS 24 14.516 3.127 -4.856
210 HG2 LYS 24 2HG LYS 24 16.109 1.648 -6.648
211 HG3 LYS 24 1HG LYS 24 14.552 1.812 -7.448
212 HD2 LYS 24 2HD LYS 24 15.797 3.748 -8.084
213 HD3 LYS 24 1HD LYS 24 14.655 4.296 -6.858
214 HE2 LYS 24 2HE LYS 24 17.105 5.081 -6.629
215 HE3 LYS 24 1HE LYS 24 16.324 4.430 -5.191
216 HZ1 LYS 24 3HZ LYS 24 17.677 2.662 -5.154
217 HZ2 LYS 24 1HZ LYS 24 18.685 3.593 -6.154
218 HZ3 LYS 24 2HZ LYS 24 17.636 2.458 -6.845
219 H LYS 25 H LYS 25 14.986 2.280 -2.222
220 HA LYS 25 HA LYS 25 16.341 3.355 -0.728
221 HB2 LYS 25 2HB LYS 25 17.648 1.061 -1.251
222 HB3 LYS 25 1HB LYS 25 18.847 2.213 -1.842
223 HG2 LYS 25 2HG LYS 25 18.041 3.363 0.542
224 HG3 LYS 25 1HG LYS 25 18.002 1.641 0.918
225 HD2 LYS 25 2HD LYS 25 20.225 2.040 1.356
226 HD3 LYS 25 1HD LYS 25 20.349 1.709 -0.369
227 HE2 LYS 25 2HE LYS 25 21.573 3.744 0.134
228 HE3 LYS 25 1HE LYS 25 20.148 4.150 -0.820
229 HZ1 LYS 25 3HZ LYS 25 20.845 4.960 1.819
230 HZ2 LYS 25 1HZ LYS 25 19.304 4.252 1.791
231 HZ3 LYS 25 2HZ LYS 25 19.646 5.584 0.783
232 H ALA 26 H ALA 26 17.464 5.259 -0.554
233 HA ALA 26 HA ALA 26 18.868 6.319 -2.891
234 HB1 ALA 26 1HB ALA 26 16.493 7.695 -1.608
235 HB2 ALA 26 2HB ALA 26 16.569 7.058 -3.252
236 HB3 ALA 26 3HB ALA 26 17.570 8.435 -2.793
Start of MODEL 16
1 H1 LYS 1 1HT LYS 1 -26.425 3.339 -8.726
2 H2 LYS 1 2HT LYS 1 -25.769 4.550 -7.736
3 H3 LYS 1 3HT LYS 1 -25.781 2.936 -7.212
4 HA LYS 1 HA LYS 1 -24.338 2.392 -9.161
5 HB2 LYS 1 2HB LYS 1 -24.494 5.389 -9.309
6 HB3 LYS 1 1HB LYS 1 -23.004 4.582 -9.795
7 HG2 LYS 1 2HG LYS 1 -23.931 3.755 -11.695
8 HG3 LYS 1 1HG LYS 1 -25.424 3.304 -10.883
9 HD2 LYS 1 2HD LYS 1 -26.469 5.126 -11.691
10 HD3 LYS 1 1HD LYS 1 -25.228 6.186 -11.020
11 HE2 LYS 1 2HE LYS 1 -24.755 4.623 -13.563
12 HE3 LYS 1 1HE LYS 1 -25.544 6.199 -13.594
13 HZ1 LYS 1 2HZ LYS 1 -22.817 5.563 -12.599
14 HZ2 LYS 1 3HZ LYS 1 -23.577 7.061 -12.349
15 HZ3 LYS 1 1HZ LYS 1 -23.235 6.539 -13.925
16 H LYS 2 H LYS 2 -21.793 3.468 -8.878
17 HA LYS 2 HA LYS 2 -20.001 3.552 -7.437
18 HB2 LYS 2 2HB LYS 2 -21.976 5.129 -6.192
19 HB3 LYS 2 1HB LYS 2 -21.358 4.065 -4.929
20 HG2 LYS 2 2HG LYS 2 -19.518 5.573 -6.792
21 HG3 LYS 2 1HG LYS 2 -20.109 6.279 -5.288
22 HD2 LYS 2 2HD LYS 2 -18.728 3.582 -5.386
23 HD3 LYS 2 1HD LYS 2 -17.850 5.091 -5.146
24 HE2 LYS 2 2HE LYS 2 -19.922 3.828 -3.350
25 HE3 LYS 2 1HE LYS 2 -18.275 4.312 -2.954
26 HZ1 LYS 2 3HZ LYS 2 -20.651 6.007 -3.357
27 HZ2 LYS 2 1HZ LYS 2 -19.097 6.643 -3.580
28 HZ3 LYS 2 2HZ LYS 2 -19.540 6.009 -2.074
29 H ALA 3 H ALA 3 -19.404 1.452 -7.419
30 HA ALA 3 HA ALA 3 -20.869 -0.581 -6.032
31 HB1 ALA 3 1HB ALA 3 -18.287 -0.465 -7.546
32 HB2 ALA 3 2HB ALA 3 -19.707 -1.472 -7.822
33 HB3 ALA 3 3HB ALA 3 -18.603 -1.849 -6.503
34 H LEU 4 H LEU 4 -17.415 -0.104 -5.593
35 HA LEU 4 HA LEU 4 -17.450 -0.885 -2.872
36 HB2 LEU 4 2HB LEU 4 -15.072 -0.132 -2.878
37 HB3 LEU 4 1HB LEU 4 -15.460 -1.203 -4.220
38 HG LEU 4 HG LEU 4 -15.957 1.036 -5.510
39 HD11 LEU 4 1HD1 LEU 4 -14.474 1.899 -3.050
40 HD12 LEU 4 2HD1 LEU 4 -15.727 2.747 -3.956
41 HD13 LEU 4 3HD1 LEU 4 -14.081 2.683 -4.582
42 HD21 LEU 4 3HD2 LEU 4 -14.144 -0.563 -6.048
43 HD22 LEU 4 1HD2 LEU 4 -13.142 0.154 -4.790
44 HD23 LEU 4 2HD2 LEU 4 -13.583 1.098 -6.208
45 H LEU 5 H LEU 5 -16.074 0.666 -1.337
46 HA LEU 5 HA LEU 5 -17.323 3.338 -1.331
47 HB2 LEU 5 2HB LEU 5 -18.528 1.825 0.221
48 HB3 LEU 5 1HB LEU 5 -17.012 1.488 1.050
49 HG LEU 5 HG LEU 5 -18.563 3.288 2.064
50 HD11 LEU 5 1HD1 LEU 5 -15.882 2.891 2.222
51 HD12 LEU 5 2HD1 LEU 5 -16.730 4.142 3.124
52 HD13 LEU 5 3HD1 LEU 5 -15.916 4.546 1.614
53 HD21 LEU 5 3HD2 LEU 5 -18.546 5.464 1.116
54 HD22 LEU 5 1HD2 LEU 5 -18.863 4.391 -0.247
55 HD23 LEU 5 2HD2 LEU 5 -17.246 5.058 -0.005
56 H ALA 6 H ALA 6 -14.961 1.379 0.500
57 HA ALA 6 HA ALA 6 -13.031 3.614 0.258
58 HB1 ALA 6 1HB ALA 6 -12.100 2.424 2.430
59 HB2 ALA 6 2HB ALA 6 -13.766 1.860 2.570
60 HB3 ALA 6 3HB ALA 6 -13.419 3.589 2.542
61 H LEU 7 H LEU 7 -10.853 3.033 -0.085
62 HA LEU 7 HA LEU 7 -10.427 0.785 -1.736
63 HB2 LEU 7 2HB LEU 7 -8.381 2.425 -0.219
64 HB3 LEU 7 1HB LEU 7 -8.032 1.327 -1.548
65 HG LEU 7 HG LEU 7 -9.432 3.990 -1.613
66 HD11 LEU 7 1HD1 LEU 7 -7.586 2.820 -3.675
67 HD12 LEU 7 2HD1 LEU 7 -6.923 3.415 -2.150
68 HD13 LEU 7 3HD1 LEU 7 -7.812 4.506 -3.212
69 HD21 LEU 7 3HD2 LEU 7 -10.069 3.343 -4.015
70 HD22 LEU 7 1HD2 LEU 7 -11.055 2.636 -2.736
71 HD23 LEU 7 2HD2 LEU 7 -9.808 1.670 -3.524
72 H ALA 8 H ALA 8 -8.865 -0.969 -1.313
73 HA ALA 8 HA ALA 8 -8.790 -1.776 1.513
74 HB1 ALA 8 1HB ALA 8 -10.602 -3.079 0.906
75 HB2 ALA 8 2HB ALA 8 -9.266 -4.173 0.557
76 HB3 ALA 8 3HB ALA 8 -10.036 -3.275 -0.750
77 H LEU 9 H LEU 9 -7.696 -2.627 -1.740
78 HA LEU 9 HA LEU 9 -5.319 -3.909 -0.637
79 HB2 LEU 9 2HB LEU 9 -5.990 -3.372 -3.517
80 HB3 LEU 9 1HB LEU 9 -4.799 -4.506 -2.892
81 HG LEU 9 HG LEU 9 -6.600 -5.931 -3.356
82 HD11 LEU 9 1HD1 LEU 9 -7.308 -5.045 -0.555
83 HD12 LEU 9 2HD1 LEU 9 -5.860 -5.981 -0.922
84 HD13 LEU 9 3HD1 LEU 9 -7.454 -6.656 -1.249
85 HD21 LEU 9 3HD2 LEU 9 -8.087 -3.633 -3.515
86 HD22 LEU 9 1HD2 LEU 9 -8.764 -4.378 -2.066
87 HD23 LEU 9 2HD2 LEU 9 -8.766 -5.255 -3.594
88 H HIS 10 H HIS 10 -6.097 -1.236 -2.778
89 HA HIS 10 HA HIS 10 -3.680 -0.180 -3.441
90 HB2 HIS 10 2HB HIS 10 -6.244 1.100 -2.616
91 HB3 HIS 10 1HB HIS 10 -4.821 2.120 -2.802
92 HD1 HIS 10 1HD HIS 10 -4.141 2.733 -5.146
93 HD2 HIS 10 2HD HIS 10 -6.913 -0.385 -5.082
94 HE1 HIS 10 1HE HIS 10 -4.801 2.304 -7.549
95 HE2 HIS 10 2HE HIS 10 -6.474 0.393 -7.534
96 H HIS 11 H HIS 11 -5.286 -0.153 -0.413
97 HA HIS 11 HA HIS 11 -4.023 1.500 1.295
98 HB2 HIS 11 2HB HIS 11 -4.961 -1.334 1.410
99 HB3 HIS 11 1HB HIS 11 -4.042 -0.714 2.789
100 HD1 HIS 11 1HD HIS 11 -5.464 0.442 4.526
101 HD2 HIS 11 2HD HIS 11 -7.210 0.576 0.736
102 HE1 HIS 11 1HE HIS 11 -7.716 1.582 4.809
103 HE2 HIS 11 2HE HIS 11 -8.792 1.668 2.503
104 H LEU 12 H LEU 12 -2.911 -1.610 0.184
105 HA LEU 12 HA LEU 12 -0.310 -1.323 1.460
106 HB2 LEU 12 2HB LEU 12 -1.581 -3.468 -0.240
107 HB3 LEU 12 1HB LEU 12 0.115 -3.531 0.236
108 HG LEU 12 HG LEU 12 -2.203 -3.283 2.177
109 HD11 LEU 12 1HD1 LEU 12 -0.446 -5.707 1.900
110 HD12 LEU 12 2HD1 LEU 12 -1.810 -5.501 0.797
111 HD13 LEU 12 3HD1 LEU 12 -2.086 -5.582 2.539
112 HD21 LEU 12 3HD2 LEU 12 0.798 -3.481 2.440
113 HD22 LEU 12 1HD2 LEU 12 -0.254 -4.042 3.741
114 HD23 LEU 12 2HD2 LEU 12 -0.307 -2.355 3.230
115 H ALA 13 H ALA 13 -1.676 -1.544 -1.749
116 HA ALA 13 HA ALA 13 0.591 -1.348 -3.325
117 HB1 ALA 13 1HB ALA 13 -1.781 0.391 -3.958
118 HB2 ALA 13 2HB ALA 13 -1.924 -1.366 -4.037
119 HB3 ALA 13 3HB ALA 13 -0.761 -0.529 -5.065
120 H HIS 14 H HIS 14 -0.946 0.989 -1.333
121 HA HIS 14 HA HIS 14 0.482 3.310 -2.195
122 HB2 HIS 14 2HB HIS 14 -1.495 3.772 -1.107
123 HB3 HIS 14 1HB HIS 14 -1.250 2.556 0.121
124 HD1 HIS 14 1HD HIS 14 0.556 5.767 -0.952
125 HD2 HIS 14 2HD HIS 14 -0.541 3.678 2.492
126 HE1 HIS 14 1HE HIS 14 1.351 7.159 1.020
127 HE2 HIS 14 2HE HIS 14 0.691 5.901 3.132
128 H LEU 15 H LEU 15 0.677 1.262 0.681
129 HA LEU 15 HA LEU 15 3.064 2.345 1.712
130 HB2 LEU 15 2HB LEU 15 1.691 -0.316 1.915
131 HB3 LEU 15 1HB LEU 15 3.353 -0.193 2.473
132 HG LEU 15 HG LEU 15 2.732 0.867 4.362
133 HD11 LEU 15 1HD1 LEU 15 2.447 3.039 3.506
134 HD12 LEU 15 2HD1 LEU 15 0.897 2.708 4.275
135 HD13 LEU 15 3HD1 LEU 15 1.061 2.564 2.528
136 HD21 LEU 15 3HD2 LEU 15 0.376 0.543 5.030
137 HD22 LEU 15 1HD2 LEU 15 1.004 -0.884 4.203
138 HD23 LEU 15 2HD2 LEU 15 -0.053 0.236 3.349
139 H ALA 16 H ALA 16 2.263 -0.021 -0.624
140 HA ALA 16 HA ALA 16 4.813 -1.085 -1.151
141 HB1 ALA 16 1HB ALA 16 3.835 -2.141 -2.980
142 HB2 ALA 16 2HB ALA 16 2.787 -0.767 -3.330
143 HB3 ALA 16 3HB ALA 16 2.431 -1.822 -1.961
144 H LEU 17 H LEU 17 3.211 1.798 -2.197
145 HA LEU 17 HA LEU 17 4.843 2.457 -4.373
146 HB2 LEU 17 2HB LEU 17 3.420 4.189 -4.507
147 HB3 LEU 17 1HB LEU 17 2.673 3.618 -3.026
148 HG LEU 17 HG LEU 17 4.447 4.967 -1.773
149 HD11 LEU 17 1HD1 LEU 17 6.057 6.004 -2.960
150 HD12 LEU 17 2HD1 LEU 17 4.822 6.907 -3.838
151 HD13 LEU 17 3HD1 LEU 17 5.372 5.347 -4.450
152 HD21 LEU 17 3HD2 LEU 17 3.199 7.066 -2.069
153 HD22 LEU 17 1HD2 LEU 17 2.100 5.689 -2.019
154 HD23 LEU 17 2HD2 LEU 17 2.498 6.444 -3.563
155 H HIS 18 H HIS 18 5.080 3.460 -0.989
156 HA HIS 18 HA HIS 18 7.645 4.695 -1.525
157 HB2 HIS 18 2HB HIS 18 7.745 5.189 0.798
158 HB3 HIS 18 1HB HIS 18 6.109 5.464 0.235
159 HD1 HIS 18 1HD HIS 18 8.116 3.144 2.382
160 HD2 HIS 18 2HD HIS 18 4.149 3.780 1.248
161 HE1 HIS 18 1HE HIS 18 6.697 1.723 3.932
162 HE2 HIS 18 2HE HIS 18 4.270 2.131 3.296
163 H LEU 19 H LEU 19 6.427 1.766 -0.093
164 HA LEU 19 HA LEU 19 8.787 0.590 0.810
165 HB2 LEU 19 2HB LEU 19 6.186 -0.360 0.062
166 HB3 LEU 19 1HB LEU 19 7.383 -1.401 -0.685
167 HG LEU 19 HG LEU 19 6.872 -2.289 1.472
168 HD11 LEU 19 1HD1 LEU 19 9.382 -0.984 2.278
169 HD12 LEU 19 2HD1 LEU 19 9.416 -1.680 0.657
170 HD13 LEU 19 3HD1 LEU 19 9.025 -2.695 2.045
171 HD21 LEU 19 3HD2 LEU 19 7.615 0.413 2.607
172 HD22 LEU 19 1HD2 LEU 19 7.075 -0.992 3.526
173 HD23 LEU 19 2HD2 LEU 19 5.962 -0.175 2.427
174 H ALA 20 H ALA 20 7.504 1.160 -2.341
175 HA ALA 20 HA ALA 20 9.319 -0.397 -3.877
176 HB1 ALA 20 1HB ALA 20 8.570 2.141 -5.124
177 HB2 ALA 20 2HB ALA 20 7.189 1.263 -4.471
178 HB3 ALA 20 3HB ALA 20 8.247 0.492 -5.651
179 H LEU 21 H LEU 21 9.312 3.064 -3.246
180 HA LEU 21 HA LEU 21 11.900 3.605 -4.194
181 HB2 LEU 21 2HB LEU 21 10.156 4.967 -2.140
182 HB3 LEU 21 1HB LEU 21 11.773 5.560 -2.512
183 HG LEU 21 HG LEU 21 10.937 5.400 -5.019
184 HD11 LEU 21 1HD1 LEU 21 8.387 5.499 -3.387
185 HD12 LEU 21 2HD1 LEU 21 8.796 4.395 -4.704
186 HD13 LEU 21 3HD1 LEU 21 8.474 6.096 -5.042
187 HD21 LEU 21 3HD2 LEU 21 10.132 7.745 -4.826
188 HD22 LEU 21 1HD2 LEU 21 11.605 7.473 -3.895
189 HD23 LEU 21 2HD2 LEU 21 10.048 7.556 -3.077
190 H ALA 22 H ALA 22 10.711 2.765 -1.002
191 HA ALA 22 HA ALA 22 13.126 2.870 0.418
192 HB1 ALA 22 1HB ALA 22 10.856 0.933 0.888
193 HB2 ALA 22 2HB ALA 22 10.855 2.608 1.441
194 HB3 ALA 22 3HB ALA 22 12.047 1.471 2.069
195 H LEU 23 H LEU 23 11.700 0.376 -1.576
196 HA LEU 23 HA LEU 23 13.376 -1.765 -0.962
197 HB2 LEU 23 2HB LEU 23 11.387 -1.255 -2.862
198 HB3 LEU 23 1HB LEU 23 12.825 -1.607 -3.815
199 HG LEU 23 HG LEU 23 11.504 -3.657 -3.280
200 HD11 LEU 23 1HD1 LEU 23 13.456 -4.935 -2.278
201 HD12 LEU 23 2HD1 LEU 23 14.276 -3.386 -2.098
202 HD13 LEU 23 3HD1 LEU 23 13.842 -3.977 -3.700
203 HD21 LEU 23 3HD2 LEU 23 11.230 -2.496 -0.769
204 HD22 LEU 23 1HD2 LEU 23 12.408 -3.784 -0.493
205 HD23 LEU 23 2HD2 LEU 23 10.830 -4.163 -1.177
206 H LYS 24 H LYS 24 13.766 0.852 -3.276
207 HA LYS 24 HA LYS 24 16.438 -0.049 -3.979
208 HB2 LYS 24 2HB LYS 24 14.938 0.897 -5.715
209 HB3 LYS 24 1HB LYS 24 14.969 2.441 -4.863
210 HG2 LYS 24 2HG LYS 24 17.582 1.157 -5.562
211 HG3 LYS 24 1HG LYS 24 16.674 1.945 -6.846
212 HD2 LYS 24 2HD LYS 24 17.078 4.031 -6.033
213 HD3 LYS 24 1HD LYS 24 16.812 3.533 -4.368
214 HE2 LYS 24 2HE LYS 24 19.350 3.459 -5.975
215 HE3 LYS 24 1HE LYS 24 19.077 4.078 -4.351
216 HZ1 LYS 24 3HZ LYS 24 20.257 2.067 -4.132
217 HZ2 LYS 24 1HZ LYS 24 19.226 1.240 -5.193
218 HZ3 LYS 24 2HZ LYS 24 18.658 1.729 -3.666
219 H LYS 25 H LYS 25 14.983 2.830 -2.530
220 HA LYS 25 HA LYS 25 17.640 3.645 -1.554
221 HB2 LYS 25 2HB LYS 25 15.717 5.115 -2.796
222 HB3 LYS 25 1HB LYS 25 15.326 5.431 -1.107
223 HG2 LYS 25 2HG LYS 25 18.108 5.724 -2.288
224 HG3 LYS 25 1HG LYS 25 16.975 7.059 -2.078
225 HD2 LYS 25 2HD LYS 25 16.845 6.399 0.387
226 HD3 LYS 25 1HD LYS 25 18.233 5.352 0.086
227 HE2 LYS 25 2HE LYS 25 18.116 8.287 0.337
228 HE3 LYS 25 1HE LYS 25 19.481 7.193 0.561
229 HZ1 LYS 25 3HZ LYS 25 18.456 8.350 -1.960
230 HZ2 LYS 25 1HZ LYS 25 19.462 6.986 -1.949
231 HZ3 LYS 25 2HZ LYS 25 20.017 8.449 -1.307
232 H ALA 26 H ALA 26 18.115 2.809 0.367
233 HA ALA 26 HA ALA 26 16.598 3.496 2.675
234 HB1 ALA 26 1HB ALA 26 15.193 1.619 1.945
235 HB2 ALA 26 2HB ALA 26 16.041 1.226 3.440
236 HB3 ALA 26 3HB ALA 26 16.611 0.566 1.906
Start of MODEL 17
1 H1 LYS 1 1HT LYS 1 -27.092 -5.911 -5.943
2 H2 LYS 1 2HT LYS 1 -27.118 -6.126 -4.261
3 H3 LYS 1 3HT LYS 1 -27.400 -7.442 -5.293
4 HA LYS 1 HA LYS 1 -25.253 -7.914 -5.004
5 HB2 LYS 1 2HB LYS 1 -25.187 -5.511 -6.844
6 HB3 LYS 1 1HB LYS 1 -23.740 -6.452 -6.486
7 HG2 LYS 1 2HG LYS 1 -25.981 -8.174 -7.198
8 HG3 LYS 1 1HG LYS 1 -25.638 -6.999 -8.465
9 HD2 LYS 1 2HD LYS 1 -23.192 -7.667 -8.274
10 HD3 LYS 1 1HD LYS 1 -23.716 -8.989 -7.232
11 HE2 LYS 1 2HE LYS 1 -23.439 -9.485 -9.758
12 HE3 LYS 1 1HE LYS 1 -24.912 -10.049 -8.974
13 HZ1 LYS 1 2HZ LYS 1 -26.163 -8.369 -9.933
14 HZ2 LYS 1 3HZ LYS 1 -25.086 -8.764 -11.180
15 HZ3 LYS 1 1HZ LYS 1 -24.811 -7.385 -10.238
16 H LYS 2 H LYS 2 -24.419 -4.535 -5.339
17 HA LYS 2 HA LYS 2 -24.277 -3.760 -2.648
18 HB2 LYS 2 2HB LYS 2 -21.818 -3.972 -2.278
19 HB3 LYS 2 1HB LYS 2 -22.626 -5.535 -2.358
20 HG2 LYS 2 2HG LYS 2 -21.868 -5.920 -4.596
21 HG3 LYS 2 1HG LYS 2 -21.333 -4.251 -4.773
22 HD2 LYS 2 2HD LYS 2 -19.920 -5.046 -2.553
23 HD3 LYS 2 1HD LYS 2 -19.970 -6.536 -3.499
24 HE2 LYS 2 2HE LYS 2 -18.006 -5.300 -4.185
25 HE3 LYS 2 1HE LYS 2 -19.181 -5.199 -5.493
26 HZ1 LYS 2 3HZ LYS 2 -19.062 -3.129 -3.394
27 HZ2 LYS 2 1HZ LYS 2 -19.710 -3.016 -4.959
28 HZ3 LYS 2 2HZ LYS 2 -18.024 -3.068 -4.735
29 H ALA 3 H ALA 3 -21.991 -2.196 -2.667
30 HA ALA 3 HA ALA 3 -22.756 -0.127 -4.521
31 HB1 ALA 3 1HB ALA 3 -21.834 0.304 -2.212
32 HB2 ALA 3 2HB ALA 3 -21.009 1.183 -3.497
33 HB3 ALA 3 3HB ALA 3 -20.268 -0.254 -2.799
34 H LEU 4 H LEU 4 -20.737 0.975 -5.702
35 HA LEU 4 HA LEU 4 -19.923 -0.899 -7.705
36 HB2 LEU 4 2HB LEU 4 -20.181 1.807 -7.692
37 HB3 LEU 4 1HB LEU 4 -18.436 1.655 -7.514
38 HG LEU 4 HG LEU 4 -19.041 -0.234 -9.456
39 HD11 LEU 4 1HD1 LEU 4 -20.320 1.250 -11.136
40 HD12 LEU 4 2HD1 LEU 4 -20.840 2.172 -9.723
41 HD13 LEU 4 3HD1 LEU 4 -21.264 0.466 -9.867
42 HD21 LEU 4 3HD2 LEU 4 -18.367 2.109 -10.840
43 HD22 LEU 4 1HD2 LEU 4 -17.251 0.896 -10.224
44 HD23 LEU 4 2HD2 LEU 4 -17.654 2.304 -9.242
45 H LEU 5 H LEU 5 -17.300 -0.225 -8.252
46 HA LEU 5 HA LEU 5 -15.843 -2.045 -6.743
47 HB2 LEU 5 2HB LEU 5 -15.127 0.174 -8.604
48 HB3 LEU 5 1HB LEU 5 -13.840 -0.486 -7.598
49 HG LEU 5 HG LEU 5 -14.024 -1.650 -9.795
50 HD11 LEU 5 1HD1 LEU 5 -13.612 -3.760 -8.902
51 HD12 LEU 5 2HD1 LEU 5 -14.928 -3.640 -7.737
52 HD13 LEU 5 3HD1 LEU 5 -13.425 -2.762 -7.461
53 HD21 LEU 5 3HD2 LEU 5 -16.454 -1.406 -10.087
54 HD22 LEU 5 1HD2 LEU 5 -16.742 -2.484 -8.717
55 HD23 LEU 5 2HD2 LEU 5 -15.990 -3.104 -10.187
56 H ALA 6 H ALA 6 -14.283 -1.835 -5.129
57 HA ALA 6 HA ALA 6 -14.216 0.693 -3.622
58 HB1 ALA 6 1HB ALA 6 -15.953 -1.007 -2.689
59 HB2 ALA 6 2HB ALA 6 -14.802 -0.286 -1.566
60 HB3 ALA 6 3HB ALA 6 -14.542 -1.927 -2.163
61 H LEU 7 H LEU 7 -12.205 1.170 -2.913
62 HA LEU 7 HA LEU 7 -10.022 -0.496 -3.707
63 HB2 LEU 7 2HB LEU 7 -10.022 1.911 -1.864
64 HB3 LEU 7 1HB LEU 7 -8.598 1.188 -2.611
65 HG LEU 7 HG LEU 7 -10.844 2.718 -3.922
66 HD11 LEU 7 1HD1 LEU 7 -9.196 4.206 -4.514
67 HD12 LEU 7 2HD1 LEU 7 -7.955 2.961 -4.624
68 HD13 LEU 7 3HD1 LEU 7 -8.461 3.565 -3.046
69 HD21 LEU 7 3HD2 LEU 7 -9.071 0.602 -5.110
70 HD22 LEU 7 1HD2 LEU 7 -9.502 2.010 -6.087
71 HD23 LEU 7 2HD2 LEU 7 -10.764 0.951 -5.452
72 H ALA 8 H ALA 8 -8.284 -1.111 -2.176
73 HA ALA 8 HA ALA 8 -8.593 -1.459 0.565
74 HB1 ALA 8 1HB ALA 8 -10.378 -2.934 0.451
75 HB2 ALA 8 2HB ALA 8 -9.021 -4.062 0.392
76 HB3 ALA 8 3HB ALA 8 -9.859 -3.605 -1.093
77 H LEU 9 H LEU 9 -7.386 -2.609 -2.445
78 HA LEU 9 HA LEU 9 -5.096 -3.967 -1.269
79 HB2 LEU 9 2HB LEU 9 -5.808 -3.322 -4.118
80 HB3 LEU 9 1HB LEU 9 -4.457 -4.326 -3.603
81 HG LEU 9 HG LEU 9 -6.160 -5.805 -2.409
82 HD11 LEU 9 1HD1 LEU 9 -7.920 -3.775 -3.666
83 HD12 LEU 9 2HD1 LEU 9 -8.209 -4.799 -2.260
84 HD13 LEU 9 3HD1 LEU 9 -8.434 -5.443 -3.884
85 HD21 LEU 9 3HD2 LEU 9 -5.710 -5.487 -5.329
86 HD22 LEU 9 1HD2 LEU 9 -7.074 -6.512 -4.877
87 HD23 LEU 9 2HD2 LEU 9 -5.452 -6.896 -4.299
88 H HIS 10 H HIS 10 -5.613 -1.391 -3.606
89 HA HIS 10 HA HIS 10 -3.148 -0.303 -3.952
90 HB2 HIS 10 2HB HIS 10 -5.768 1.106 -3.448
91 HB3 HIS 10 1HB HIS 10 -4.293 1.976 -3.852
92 HD1 HIS 10 1HD HIS 10 -6.212 2.460 -5.946
93 HD2 HIS 10 2HD HIS 10 -4.107 -1.148 -5.908
94 HE1 HIS 10 1HE HIS 10 -6.368 1.514 -8.288
95 HE2 HIS 10 2HE HIS 10 -5.068 -0.673 -8.295
96 H HIS 11 H HIS 11 -5.307 0.081 -1.320
97 HA HIS 11 HA HIS 11 -4.302 1.878 0.405
98 HB2 HIS 11 2HB HIS 11 -5.464 -0.864 0.628
99 HB3 HIS 11 1HB HIS 11 -4.897 -0.064 2.108
100 HD1 HIS 11 1HD HIS 11 -7.311 0.395 3.031
101 HD2 HIS 11 2HD HIS 11 -6.619 2.049 -0.740
102 HE1 HIS 11 1HE HIS 11 -9.259 1.953 2.554
103 HE2 HIS 11 2HE HIS 11 -8.865 2.950 0.245
104 H LEU 12 H LEU 12 -3.246 -1.412 -0.018
105 HA LEU 12 HA LEU 12 -0.971 -1.106 1.770
106 HB2 LEU 12 2HB LEU 12 -2.160 -3.368 0.181
107 HB3 LEU 12 1HB LEU 12 -0.522 -3.504 0.816
108 HG LEU 12 HG LEU 12 -2.132 -4.470 2.398
109 HD11 LEU 12 1HD1 LEU 12 -0.104 -2.864 3.070
110 HD12 LEU 12 2HD1 LEU 12 -1.177 -3.560 4.284
111 HD13 LEU 12 3HD1 LEU 12 -1.423 -1.902 3.738
112 HD21 LEU 12 3HD2 LEU 12 -4.022 -3.372 3.175
113 HD22 LEU 12 1HD2 LEU 12 -3.931 -2.721 1.540
114 HD23 LEU 12 2HD2 LEU 12 -3.335 -1.773 2.901
115 H ALA 13 H ALA 13 -1.685 -1.534 -1.621
116 HA ALA 13 HA ALA 13 0.907 -1.734 -2.665
117 HB1 ALA 13 1HB ALA 13 -1.130 -0.028 -4.060
118 HB2 ALA 13 2HB ALA 13 -1.433 -1.757 -3.879
119 HB3 ALA 13 3HB ALA 13 -0.000 -1.198 -4.743
120 H HIS 14 H HIS 14 -0.896 0.892 -1.385
121 HA HIS 14 HA HIS 14 0.740 3.048 -2.245
122 HB2 HIS 14 2HB HIS 14 -1.271 3.822 -1.546
123 HB3 HIS 14 1HB HIS 14 -1.453 2.602 -0.305
124 HD1 HIS 14 1HD HIS 14 1.279 5.262 -0.741
125 HD2 HIS 14 2HD HIS 14 -1.530 3.956 2.057
126 HE1 HIS 14 1HE HIS 14 1.615 6.683 1.335
127 HE2 HIS 14 2HE HIS 14 -0.089 5.902 3.054
128 H LEU 15 H LEU 15 0.459 1.329 0.844
129 HA LEU 15 HA LEU 15 2.704 2.533 2.091
130 HB2 LEU 15 2HB LEU 15 1.428 -0.200 2.332
131 HB3 LEU 15 1HB LEU 15 2.863 0.219 3.255
132 HG LEU 15 HG LEU 15 1.716 1.637 4.648
133 HD11 LEU 15 1HD1 LEU 15 -0.319 2.891 3.996
134 HD12 LEU 15 2HD1 LEU 15 -0.263 2.132 2.408
135 HD13 LEU 15 3HD1 LEU 15 1.029 3.226 2.910
136 HD21 LEU 15 3HD2 LEU 15 -0.780 0.263 3.739
137 HD22 LEU 15 1HD2 LEU 15 -0.179 0.518 5.375
138 HD23 LEU 15 2HD2 LEU 15 0.552 -0.716 4.353
139 H ALA 16 H ALA 16 2.182 0.008 -0.135
140 HA ALA 16 HA ALA 16 4.851 -1.024 -0.189
141 HB1 ALA 16 1HB ALA 16 2.646 -2.095 -1.072
142 HB2 ALA 16 2HB ALA 16 4.146 -2.385 -1.949
143 HB3 ALA 16 3HB ALA 16 2.998 -1.189 -2.542
144 H LEU 17 H LEU 17 3.204 1.567 -1.775
145 HA LEU 17 HA LEU 17 4.938 2.026 -3.918
146 HB2 LEU 17 2HB LEU 17 3.234 3.444 -4.297
147 HB3 LEU 17 1HB LEU 17 2.774 3.469 -2.607
148 HG LEU 17 HG LEU 17 5.244 4.980 -3.291
149 HD11 LEU 17 1HD1 LEU 17 3.790 5.513 -5.210
150 HD12 LEU 17 2HD1 LEU 17 3.971 6.904 -4.143
151 HD13 LEU 17 3HD1 LEU 17 2.490 5.948 -4.101
152 HD21 LEU 17 3HD2 LEU 17 4.559 6.346 -1.528
153 HD22 LEU 17 1HD2 LEU 17 3.880 4.795 -1.040
154 HD23 LEU 17 2HD2 LEU 17 2.851 6.008 -1.798
155 H HIS 18 H HIS 18 4.988 3.420 -0.647
156 HA HIS 18 HA HIS 18 7.463 4.801 -1.249
157 HB2 HIS 18 2HB HIS 18 7.531 5.399 1.088
158 HB3 HIS 18 1HB HIS 18 5.928 5.627 0.430
159 HD1 HIS 18 1HD HIS 18 7.842 3.421 2.778
160 HD2 HIS 18 2HD HIS 18 3.916 4.042 1.509
161 HE1 HIS 18 1HE HIS 18 6.362 2.173 4.413
162 HE2 HIS 18 2HE HIS 18 3.957 2.546 3.657
163 H LEU 19 H LEU 19 6.518 1.942 0.467
164 HA LEU 19 HA LEU 19 8.973 1.014 1.403
165 HB2 LEU 19 2HB LEU 19 6.395 -0.128 0.804
166 HB3 LEU 19 1HB LEU 19 7.645 -1.195 0.179
167 HG LEU 19 HG LEU 19 7.205 -1.860 2.428
168 HD11 LEU 19 1HD1 LEU 19 9.688 -1.228 1.538
169 HD12 LEU 19 2HD1 LEU 19 9.377 -1.989 3.098
170 HD13 LEU 19 3HD1 LEU 19 9.616 -0.243 3.004
171 HD21 LEU 19 3HD2 LEU 19 7.754 1.005 3.245
172 HD22 LEU 19 1HD2 LEU 19 7.269 -0.317 4.307
173 HD23 LEU 19 2HD2 LEU 19 6.139 0.304 3.102
174 H ALA 20 H ALA 20 7.571 1.176 -1.741
175 HA ALA 20 HA ALA 20 9.376 -0.441 -3.208
176 HB1 ALA 20 1HB ALA 20 8.275 2.030 -4.457
177 HB2 ALA 20 2HB ALA 20 7.133 0.809 -3.903
178 HB3 ALA 20 3HB ALA 20 8.357 0.392 -5.100
179 H LEU 21 H LEU 21 9.263 3.053 -2.829
180 HA LEU 21 HA LEU 21 11.586 3.811 -4.094
181 HB2 LEU 21 2HB LEU 21 10.645 4.918 -1.439
182 HB3 LEU 21 1HB LEU 21 11.661 5.745 -2.622
183 HG LEU 21 HG LEU 21 8.829 4.794 -3.156
184 HD11 LEU 21 1HD1 LEU 21 9.912 7.553 -2.518
185 HD12 LEU 21 2HD1 LEU 21 8.798 6.611 -1.525
186 HD13 LEU 21 3HD1 LEU 21 8.278 7.233 -3.092
187 HD21 LEU 21 3HD2 LEU 21 9.237 6.565 -5.069
188 HD22 LEU 21 1HD2 LEU 21 9.857 4.920 -5.257
189 HD23 LEU 21 2HD2 LEU 21 10.940 6.223 -4.757
190 H ALA 22 H ALA 22 11.180 2.782 -0.764
191 HA ALA 22 HA ALA 22 13.873 2.860 0.035
192 HB1 ALA 22 1HB ALA 22 12.615 0.652 1.324
193 HB2 ALA 22 2HB ALA 22 11.405 1.919 1.134
194 HB3 ALA 22 3HB ALA 22 12.912 2.262 1.978
195 H LEU 23 H LEU 23 11.941 0.308 -1.413
196 HA LEU 23 HA LEU 23 13.884 -1.725 -1.442
197 HB2 LEU 23 2HB LEU 23 11.265 -1.447 -2.341
198 HB3 LEU 23 1HB LEU 23 12.186 -1.693 -3.821
199 HG LEU 23 HG LEU 23 11.388 -3.832 -2.819
200 HD11 LEU 23 1HD1 LEU 23 14.395 -3.615 -2.608
201 HD12 LEU 23 2HD1 LEU 23 13.548 -3.596 -4.157
202 HD13 LEU 23 3HD1 LEU 23 13.442 -5.008 -3.105
203 HD21 LEU 23 3HD2 LEU 23 11.823 -4.437 -0.656
204 HD22 LEU 23 1HD2 LEU 23 11.959 -2.696 -0.418
205 HD23 LEU 23 2HD2 LEU 23 13.412 -3.670 -0.653
206 H LYS 24 H LYS 24 13.056 0.755 -3.789
207 HA LYS 24 HA LYS 24 14.959 0.090 -5.759
208 HB2 LYS 24 2HB LYS 24 12.968 1.956 -5.543
209 HB3 LYS 24 1HB LYS 24 14.407 2.968 -5.399
210 HG2 LYS 24 2HG LYS 24 14.765 1.013 -7.511
211 HG3 LYS 24 1HG LYS 24 13.280 1.924 -7.772
212 HD2 LYS 24 2HD LYS 24 15.933 3.251 -7.147
213 HD3 LYS 24 1HD LYS 24 15.367 2.964 -8.791
214 HE2 LYS 24 2HE LYS 24 13.471 4.295 -6.908
215 HE3 LYS 24 1HE LYS 24 14.837 5.247 -7.488
216 HZ1 LYS 24 3HZ LYS 24 13.725 3.837 -9.646
217 HZ2 LYS 24 1HZ LYS 24 13.815 5.512 -9.409
218 HZ3 LYS 24 2HZ LYS 24 12.475 4.643 -8.831
219 H LYS 25 H LYS 25 15.051 2.502 -3.186
220 HA LYS 25 HA LYS 25 17.683 1.988 -2.363
221 HB2 LYS 25 2HB LYS 25 18.646 4.233 -3.250
222 HB3 LYS 25 1HB LYS 25 18.640 2.828 -4.311
223 HG2 LYS 25 2HG LYS 25 17.219 3.805 -5.770
224 HG3 LYS 25 1HG LYS 25 16.145 4.358 -4.488
225 HD2 LYS 25 2HD LYS 25 16.966 6.354 -5.476
226 HD3 LYS 25 1HD LYS 25 17.932 6.160 -4.016
227 HE2 LYS 25 2HE LYS 25 18.806 5.214 -6.766
228 HE3 LYS 25 1HE LYS 25 19.299 6.743 -6.047
229 HZ1 LYS 25 3HZ LYS 25 20.111 5.335 -4.114
230 HZ2 LYS 25 1HZ LYS 25 21.009 5.256 -5.551
231 HZ3 LYS 25 2HZ LYS 25 19.941 3.997 -5.149
232 H ALA 26 H ALA 26 16.913 5.324 -2.887
233 HA ALA 26 HA ALA 26 15.297 5.782 -0.604
234 HB1 ALA 26 1HB ALA 26 16.785 6.437 1.035
235 HB2 ALA 26 2HB ALA 26 18.061 6.814 -0.121
236 HB3 ALA 26 3HB ALA 26 17.714 5.134 0.288
Start of MODEL 18
1 H1 LYS 1 1HT LYS 1 -23.808 -6.353 1.722
2 H2 LYS 1 2HT LYS 1 -23.052 -4.885 2.114
3 H3 LYS 1 3HT LYS 1 -22.200 -6.089 1.274
4 HA LYS 1 HA LYS 1 -22.928 -5.378 -0.675
5 HB2 LYS 1 2HB LYS 1 -25.043 -6.581 -0.257
6 HB3 LYS 1 1HB LYS 1 -25.669 -5.187 0.617
7 HG2 LYS 1 2HG LYS 1 -24.651 -4.622 -2.117
8 HG3 LYS 1 1HG LYS 1 -26.099 -5.621 -2.043
9 HD2 LYS 1 2HD LYS 1 -26.454 -3.502 -0.171
10 HD3 LYS 1 1HD LYS 1 -25.879 -2.780 -1.671
11 HE2 LYS 1 2HE LYS 1 -28.199 -4.725 -1.464
12 HE3 LYS 1 1HE LYS 1 -28.362 -2.974 -1.595
13 HZ1 LYS 1 2HZ LYS 1 -26.779 -4.469 -3.578
14 HZ2 LYS 1 3HZ LYS 1 -27.559 -2.968 -3.740
15 HZ3 LYS 1 1HZ LYS 1 -28.471 -4.398 -3.712
16 H LYS 2 H LYS 2 -21.956 -3.469 -1.015
17 HA LYS 2 HA LYS 2 -23.330 -1.026 -0.783
18 HB2 LYS 2 2HB LYS 2 -22.556 -1.676 1.692
19 HB3 LYS 2 1HB LYS 2 -21.035 -0.984 1.134
20 HG2 LYS 2 2HG LYS 2 -23.098 0.766 0.254
21 HG3 LYS 2 1HG LYS 2 -23.446 0.381 1.939
22 HD2 LYS 2 2HD LYS 2 -21.657 1.545 2.697
23 HD3 LYS 2 1HD LYS 2 -20.598 0.920 1.435
24 HE2 LYS 2 2HE LYS 2 -20.882 3.354 1.190
25 HE3 LYS 2 1HE LYS 2 -21.600 2.513 -0.182
26 HZ1 LYS 2 3HZ LYS 2 -23.742 2.600 1.151
27 HZ2 LYS 2 1HZ LYS 2 -23.199 4.056 0.476
28 HZ3 LYS 2 2HZ LYS 2 -22.964 3.751 2.130
29 H ALA 3 H ALA 3 -21.017 0.621 -0.348
30 HA ALA 3 HA ALA 3 -19.335 -0.111 -2.667
31 HB1 ALA 3 1HB ALA 3 -20.785 1.744 -3.309
32 HB2 ALA 3 2HB ALA 3 -19.134 2.331 -3.127
33 HB3 ALA 3 3HB ALA 3 -20.322 2.643 -1.865
34 H LEU 4 H LEU 4 -17.180 0.030 -2.375
35 HA LEU 4 HA LEU 4 -16.167 0.269 0.287
36 HB2 LEU 4 2HB LEU 4 -15.227 -1.220 -1.545
37 HB3 LEU 4 1HB LEU 4 -14.563 0.237 -2.278
38 HG LEU 4 HG LEU 4 -13.460 0.703 -0.016
39 HD11 LEU 4 1HD1 LEU 4 -14.675 -0.750 1.437
40 HD12 LEU 4 2HD1 LEU 4 -13.060 -1.442 1.302
41 HD13 LEU 4 3HD1 LEU 4 -14.396 -2.143 0.392
42 HD21 LEU 4 3HD2 LEU 4 -12.765 -1.416 -1.985
43 HD22 LEU 4 1HD2 LEU 4 -11.820 -1.374 -0.497
44 HD23 LEU 4 2HD2 LEU 4 -11.882 0.047 -1.542
45 H LEU 5 H LEU 5 -15.114 1.953 1.255
46 HA LEU 5 HA LEU 5 -15.377 4.570 0.036
47 HB2 LEU 5 2HB LEU 5 -14.892 3.493 2.712
48 HB3 LEU 5 1HB LEU 5 -13.858 4.872 2.344
49 HG LEU 5 HG LEU 5 -16.059 5.521 3.363
50 HD11 LEU 5 1HD1 LEU 5 -14.717 6.990 1.784
51 HD12 LEU 5 2HD1 LEU 5 -16.432 7.369 1.890
52 HD13 LEU 5 3HD1 LEU 5 -15.817 6.479 0.502
53 HD21 LEU 5 3HD2 LEU 5 -17.231 3.612 1.969
54 HD22 LEU 5 1HD2 LEU 5 -17.356 4.865 0.729
55 HD23 LEU 5 2HD2 LEU 5 -18.100 5.106 2.309
56 H ALA 6 H ALA 6 -13.792 5.695 -0.975
57 HA ALA 6 HA ALA 6 -11.813 5.987 -2.127
58 HB1 ALA 6 1HB ALA 6 -9.792 5.947 -0.639
59 HB2 ALA 6 2HB ALA 6 -10.801 5.274 0.641
60 HB3 ALA 6 3HB ALA 6 -11.130 6.891 0.016
61 H LEU 7 H LEU 7 -9.827 3.902 -0.336
62 HA LEU 7 HA LEU 7 -10.289 1.615 -2.109
63 HB2 LEU 7 2HB LEU 7 -7.690 3.140 -1.885
64 HB3 LEU 7 1HB LEU 7 -7.772 1.485 -2.483
65 HG LEU 7 HG LEU 7 -9.227 3.879 -3.663
66 HD11 LEU 7 1HD1 LEU 7 -7.079 2.186 -4.953
67 HD12 LEU 7 2HD1 LEU 7 -6.687 3.622 -4.004
68 HD13 LEU 7 3HD1 LEU 7 -7.679 3.765 -5.454
69 HD21 LEU 7 3HD2 LEU 7 -10.595 2.374 -4.637
70 HD22 LEU 7 1HD2 LEU 7 -9.739 1.043 -3.869
71 HD23 LEU 7 2HD2 LEU 7 -9.196 1.656 -5.431
72 H ALA 8 H ALA 8 -8.804 -0.237 -1.447
73 HA ALA 8 HA ALA 8 -8.155 -0.188 1.415
74 HB1 ALA 8 1HB ALA 8 -9.805 -2.410 0.220
75 HB2 ALA 8 2HB ALA 8 -10.508 -1.055 1.105
76 HB3 ALA 8 3HB ALA 8 -9.402 -2.164 1.918
77 H LEU 9 H LEU 9 -7.856 -1.661 -1.697
78 HA LEU 9 HA LEU 9 -5.794 -3.519 -0.817
79 HB2 LEU 9 2HB LEU 9 -7.514 -4.074 -2.538
80 HB3 LEU 9 1HB LEU 9 -6.766 -2.882 -3.590
81 HG LEU 9 HG LEU 9 -6.043 -5.317 -3.939
82 HD11 LEU 9 1HD1 LEU 9 -3.594 -3.765 -3.258
83 HD12 LEU 9 2HD1 LEU 9 -4.715 -3.015 -4.394
84 HD13 LEU 9 3HD1 LEU 9 -4.019 -4.596 -4.748
85 HD21 LEU 9 3HD2 LEU 9 -4.302 -4.827 -1.517
86 HD22 LEU 9 1HD2 LEU 9 -4.582 -6.338 -2.380
87 HD23 LEU 9 2HD2 LEU 9 -5.859 -5.649 -1.377
88 H HIS 10 H HIS 10 -6.081 -0.957 -3.235
89 HA HIS 10 HA HIS 10 -3.412 -0.608 -3.928
90 HB2 HIS 10 2HB HIS 10 -5.723 1.296 -3.670
91 HB3 HIS 10 1HB HIS 10 -4.121 1.907 -4.044
92 HD1 HIS 10 1HD HIS 10 -4.160 2.371 -6.509
93 HD2 HIS 10 2HD HIS 10 -5.930 -1.294 -5.565
94 HE1 HIS 10 1HE HIS 10 -4.732 1.255 -8.721
95 HE2 HIS 10 2HE HIS 10 -5.800 -0.993 -8.157
96 H HIS 11 H HIS 11 -5.237 0.293 -1.181
97 HA HIS 11 HA HIS 11 -3.765 2.094 0.240
98 HB2 HIS 11 2HB HIS 11 -5.662 -0.042 0.750
99 HB3 HIS 11 1HB HIS 11 -4.494 0.105 2.075
100 HD1 HIS 11 1HD HIS 11 -5.264 1.720 3.820
101 HD2 HIS 11 2HD HIS 11 -6.554 2.833 0.006
102 HE1 HIS 11 1HE HIS 11 -6.578 3.879 4.103
103 HE2 HIS 11 2HE HIS 11 -7.376 4.567 1.782
104 H LEU 12 H LEU 12 -3.244 -1.346 -0.137
105 HA LEU 12 HA LEU 12 -0.906 -1.399 1.572
106 HB2 LEU 12 2HB LEU 12 -2.263 -3.404 -0.219
107 HB3 LEU 12 1HB LEU 12 -0.662 -3.733 0.437
108 HG LEU 12 HG LEU 12 -2.470 -4.665 1.873
109 HD11 LEU 12 1HD1 LEU 12 -0.226 -3.214 2.658
110 HD12 LEU 12 2HD1 LEU 12 -1.172 -4.295 3.679
111 HD13 LEU 12 3HD1 LEU 12 -1.521 -2.565 3.665
112 HD21 LEU 12 3HD2 LEU 12 -3.195 -1.783 2.454
113 HD22 LEU 12 1HD2 LEU 12 -4.019 -3.237 3.010
114 HD23 LEU 12 2HD2 LEU 12 -4.091 -2.783 1.310
115 H ALA 13 H ALA 13 -1.634 -1.534 -1.843
116 HA ALA 13 HA ALA 13 0.965 -1.781 -2.872
117 HB1 ALA 13 1HB ALA 13 0.103 -0.768 -4.920
118 HB2 ALA 13 2HB ALA 13 -1.293 -0.139 -4.052
119 HB3 ALA 13 3HB ALA 13 -1.103 -1.876 -4.267
120 H HIS 14 H HIS 14 -0.762 0.855 -1.476
121 HA HIS 14 HA HIS 14 0.979 2.960 -2.262
122 HB2 HIS 14 2HB HIS 14 -0.839 3.966 -1.505
123 HB3 HIS 14 1HB HIS 14 -1.339 2.596 -0.540
124 HD1 HIS 14 1HD HIS 14 1.742 4.835 -0.210
125 HD2 HIS 14 2HD HIS 14 -1.587 3.619 1.998
126 HE1 HIS 14 1HE HIS 14 1.999 5.859 2.100
127 HE2 HIS 14 2HE HIS 14 -0.047 5.162 3.447
128 H LEU 15 H LEU 15 0.663 1.055 0.688
129 HA LEU 15 HA LEU 15 2.882 2.135 2.075
130 HB2 LEU 15 2HB LEU 15 1.545 -0.581 2.075
131 HB3 LEU 15 1HB LEU 15 2.983 -0.285 3.040
132 HG LEU 15 HG LEU 15 1.839 0.911 4.590
133 HD11 LEU 15 1HD1 LEU 15 1.459 2.831 3.123
134 HD12 LEU 15 2HD1 LEU 15 0.003 2.490 4.052
135 HD13 LEU 15 3HD1 LEU 15 0.106 1.995 2.365
136 HD21 LEU 15 3HD2 LEU 15 -0.293 0.010 5.000
137 HD22 LEU 15 1HD2 LEU 15 0.449 -1.205 3.962
138 HD23 LEU 15 2HD2 LEU 15 -0.697 -0.050 3.286
139 H ALA 16 H ALA 16 2.374 -0.187 -0.357
140 HA ALA 16 HA ALA 16 5.060 -1.202 -0.447
141 HB1 ALA 16 1HB ALA 16 2.635 -1.907 -1.614
142 HB2 ALA 16 2HB ALA 16 4.197 -2.663 -1.919
143 HB3 ALA 16 3HB ALA 16 3.623 -1.369 -2.971
144 H LEU 17 H LEU 17 3.347 1.443 -1.867
145 HA LEU 17 HA LEU 17 5.045 2.102 -3.962
146 HB2 LEU 17 2HB LEU 17 3.573 3.773 -4.225
147 HB3 LEU 17 1HB LEU 17 2.781 3.211 -2.764
148 HG LEU 17 HG LEU 17 4.469 4.682 -1.488
149 HD11 LEU 17 1HD1 LEU 17 4.714 6.585 -3.628
150 HD12 LEU 17 2HD1 LEU 17 5.427 5.056 -4.143
151 HD13 LEU 17 3HD1 LEU 17 5.996 5.845 -2.670
152 HD21 LEU 17 3HD2 LEU 17 2.720 6.382 -3.223
153 HD22 LEU 17 1HD2 LEU 17 2.926 6.402 -1.470
154 HD23 LEU 17 2HD2 LEU 17 1.958 5.139 -2.229
155 H HIS 18 H HIS 18 5.178 3.161 -0.594
156 HA HIS 18 HA HIS 18 7.660 4.581 -1.143
157 HB2 HIS 18 2HB HIS 18 7.711 5.111 1.193
158 HB3 HIS 18 1HB HIS 18 6.085 5.331 0.582
159 HD1 HIS 18 1HD HIS 18 8.102 3.149 2.844
160 HD2 HIS 18 2HD HIS 18 4.156 3.543 1.539
161 HE1 HIS 18 1HE HIS 18 6.694 1.719 4.394
162 HE2 HIS 18 2HE HIS 18 4.279 1.935 3.608
163 H LEU 19 H LEU 19 6.650 1.692 0.531
164 HA LEU 19 HA LEU 19 9.109 0.699 1.387
165 HB2 LEU 19 2HB LEU 19 6.507 -0.373 0.967
166 HB3 LEU 19 1HB LEU 19 7.632 -1.436 0.137
167 HG LEU 19 HG LEU 19 7.429 -2.241 2.371
168 HD11 LEU 19 1HD1 LEU 19 9.668 -2.369 2.946
169 HD12 LEU 19 2HD1 LEU 19 9.943 -0.648 2.671
170 HD13 LEU 19 3HD1 LEU 19 9.815 -1.752 1.301
171 HD21 LEU 19 3HD2 LEU 19 6.475 -0.152 3.304
172 HD22 LEU 19 1HD2 LEU 19 8.083 0.570 3.285
173 HD23 LEU 19 2HD2 LEU 19 7.747 -0.813 4.328
174 H ALA 20 H ALA 20 7.593 0.884 -1.717
175 HA ALA 20 HA ALA 20 9.496 -0.689 -3.188
176 HB1 ALA 20 1HB ALA 20 7.407 1.325 -3.948
177 HB2 ALA 20 2HB ALA 20 7.499 -0.384 -4.361
178 HB3 ALA 20 3HB ALA 20 8.575 0.771 -5.144
179 H LEU 21 H LEU 21 8.934 2.777 -2.982
180 HA LEU 21 HA LEU 21 11.175 3.707 -4.314
181 HB2 LEU 21 2HB LEU 21 9.188 4.848 -2.681
182 HB3 LEU 21 1HB LEU 21 10.719 5.287 -1.928
183 HG LEU 21 HG LEU 21 10.034 5.704 -4.856
184 HD11 LEU 21 1HD1 LEU 21 8.775 7.339 -3.770
185 HD12 LEU 21 2HD1 LEU 21 10.316 8.176 -3.968
186 HD13 LEU 21 3HD1 LEU 21 9.899 7.446 -2.418
187 HD21 LEU 21 3HD2 LEU 21 12.402 5.450 -4.691
188 HD22 LEU 21 1HD2 LEU 21 12.466 6.325 -3.159
189 HD23 LEU 21 2HD2 LEU 21 12.135 7.191 -4.660
190 H ALA 22 H ALA 22 10.795 2.840 -0.931
191 HA ALA 22 HA ALA 22 13.451 3.324 -0.108
192 HB1 ALA 22 1HB ALA 22 12.951 1.871 1.792
193 HB2 ALA 22 2HB ALA 22 11.530 1.239 0.958
194 HB3 ALA 22 3HB ALA 22 11.576 2.926 1.472
195 H LEU 23 H LEU 23 11.829 0.395 -1.192
196 HA LEU 23 HA LEU 23 13.899 -1.435 -1.097
197 HB2 LEU 23 2HB LEU 23 11.344 -1.248 -2.364
198 HB3 LEU 23 1HB LEU 23 12.501 -1.819 -3.564
199 HG LEU 23 HG LEU 23 11.458 -3.687 -2.281
200 HD11 LEU 23 1HD1 LEU 23 13.499 -4.882 -1.908
201 HD12 LEU 23 2HD1 LEU 23 14.387 -3.396 -1.583
202 HD13 LEU 23 3HD1 LEU 23 13.826 -3.748 -3.219
203 HD21 LEU 23 3HD2 LEU 23 13.060 -2.904 0.120
204 HD22 LEU 23 1HD2 LEU 23 11.588 -3.867 0.024
205 HD23 LEU 23 2HD2 LEU 23 11.508 -2.112 -0.131
206 H LYS 24 H LYS 24 13.205 1.031 -3.444
207 HA LYS 24 HA LYS 24 15.374 0.232 -5.199
208 HB2 LYS 24 2HB LYS 24 13.009 1.444 -5.673
209 HB3 LYS 24 1HB LYS 24 14.063 2.855 -5.588
210 HG2 LYS 24 2HG LYS 24 14.771 0.432 -7.260
211 HG3 LYS 24 1HG LYS 24 13.767 1.734 -7.895
212 HD2 LYS 24 2HD LYS 24 15.694 2.781 -8.452
213 HD3 LYS 24 1HD LYS 24 15.898 3.089 -6.726
214 HE2 LYS 24 2HE LYS 24 17.910 2.027 -7.343
215 HE3 LYS 24 1HE LYS 24 16.957 0.725 -6.635
216 HZ1 LYS 24 3HZ LYS 24 16.179 0.264 -8.977
217 HZ2 LYS 24 1HZ LYS 24 17.793 -0.117 -8.642
218 HZ3 LYS 24 2HZ LYS 24 17.422 1.293 -9.506
219 H LYS 25 H LYS 25 14.669 2.894 -3.020
220 HA LYS 25 HA LYS 25 17.187 4.211 -3.575
221 HB2 LYS 25 2HB LYS 25 15.128 5.483 -3.128
222 HB3 LYS 25 1HB LYS 25 15.074 4.815 -1.497
223 HG2 LYS 25 2HG LYS 25 17.677 6.010 -2.167
224 HG3 LYS 25 1HG LYS 25 16.347 7.168 -2.230
225 HD2 LYS 25 2HD LYS 25 16.645 5.284 0.108
226 HD3 LYS 25 1HD LYS 25 17.536 6.803 0.054
227 HE2 LYS 25 2HE LYS 25 14.520 6.517 -0.155
228 HE3 LYS 25 1HE LYS 25 15.408 7.081 1.259
229 HZ1 LYS 25 3HZ LYS 25 16.260 8.555 -0.957
230 HZ2 LYS 25 1HZ LYS 25 15.420 9.108 0.405
231 HZ3 LYS 25 2HZ LYS 25 14.563 8.563 -0.956
232 H ALA 26 H ALA 26 15.829 2.375 -0.829
233 HA ALA 26 HA ALA 26 18.247 2.794 0.739
234 HB1 ALA 26 1HB ALA 26 16.221 2.766 1.996
235 HB2 ALA 26 2HB ALA 26 17.048 1.256 2.366
236 HB3 ALA 26 3HB ALA 26 15.693 1.264 1.240
Start of MODEL 19
1 H1 LYS 1 1HT LYS 1 -19.987 -15.267 5.750
2 H2 LYS 1 2HT LYS 1 -20.132 -15.835 4.156
3 H3 LYS 1 3HT LYS 1 -21.136 -14.587 4.714
4 HA LYS 1 HA LYS 1 -18.667 -13.597 5.176
5 HB2 LYS 1 2HB LYS 1 -18.691 -14.855 2.416
6 HB3 LYS 1 1HB LYS 1 -17.381 -13.941 3.165
7 HG2 LYS 1 2HG LYS 1 -18.342 -16.338 4.659
8 HG3 LYS 1 1HG LYS 1 -17.471 -16.653 3.161
9 HD2 LYS 1 2HD LYS 1 -16.152 -14.585 4.733
10 HD3 LYS 1 1HD LYS 1 -16.345 -16.068 5.660
11 HE2 LYS 1 2HE LYS 1 -14.208 -15.969 4.331
12 HE3 LYS 1 1HE LYS 1 -15.216 -17.368 3.966
13 HZ1 LYS 1 2HZ LYS 1 -15.273 -14.849 2.399
14 HZ2 LYS 1 3HZ LYS 1 -16.000 -16.333 1.995
15 HZ3 LYS 1 1HZ LYS 1 -14.314 -16.187 1.993
16 H LYS 2 H LYS 2 -18.896 -11.493 4.633
17 HA LYS 2 HA LYS 2 -20.473 -10.703 2.323
18 HB2 LYS 2 2HB LYS 2 -22.144 -11.048 4.197
19 HB3 LYS 2 1HB LYS 2 -21.339 -9.733 5.059
20 HG2 LYS 2 2HG LYS 2 -22.007 -8.124 3.506
21 HG3 LYS 2 1HG LYS 2 -22.213 -9.306 2.213
22 HD2 LYS 2 2HD LYS 2 -24.093 -10.254 3.817
23 HD3 LYS 2 1HD LYS 2 -24.063 -8.618 4.469
24 HE2 LYS 2 2HE LYS 2 -25.686 -8.522 2.751
25 HE3 LYS 2 1HE LYS 2 -24.239 -7.836 2.014
26 HZ1 LYS 2 3HZ LYS 2 -23.881 -10.397 1.453
27 HZ2 LYS 2 1HZ LYS 2 -24.721 -9.343 0.423
28 HZ3 LYS 2 2HZ LYS 2 -25.579 -10.364 1.479
29 H ALA 3 H ALA 3 -20.076 -8.570 1.684
30 HA ALA 3 HA ALA 3 -18.730 -6.622 3.222
31 HB1 ALA 3 1HB ALA 3 -17.024 -8.487 1.598
32 HB2 ALA 3 2HB ALA 3 -16.719 -7.806 3.196
33 HB3 ALA 3 3HB ALA 3 -16.556 -6.793 1.762
34 H LEU 4 H LEU 4 -18.475 -4.682 2.055
35 HA LEU 4 HA LEU 4 -19.945 -4.642 -0.474
36 HB2 LEU 4 2HB LEU 4 -18.844 -2.203 0.900
37 HB3 LEU 4 1HB LEU 4 -20.252 -2.338 -0.148
38 HG LEU 4 HG LEU 4 -21.168 -2.099 2.020
39 HD11 LEU 4 1HD1 LEU 4 -21.219 -5.018 2.281
40 HD12 LEU 4 2HD1 LEU 4 -21.578 -4.469 0.645
41 HD13 LEU 4 3HD1 LEU 4 -22.543 -3.892 2.001
42 HD21 LEU 4 3HD2 LEU 4 -19.714 -4.286 3.355
43 HD22 LEU 4 1HD2 LEU 4 -20.102 -2.669 3.939
44 HD23 LEU 4 2HD2 LEU 4 -18.702 -2.917 2.898
45 H LEU 5 H LEU 5 -18.784 -2.316 -1.537
46 HA LEU 5 HA LEU 5 -16.154 -3.367 -2.378
47 HB2 LEU 5 2HB LEU 5 -18.230 -3.042 -4.013
48 HB3 LEU 5 1HB LEU 5 -17.635 -1.379 -4.045
49 HG LEU 5 HG LEU 5 -15.300 -2.799 -4.300
50 HD11 LEU 5 1HD1 LEU 5 -16.106 -4.346 -6.323
51 HD12 LEU 5 2HD1 LEU 5 -17.561 -4.443 -5.328
52 HD13 LEU 5 3HD1 LEU 5 -16.005 -4.945 -4.669
53 HD21 LEU 5 3HD2 LEU 5 -17.187 -1.777 -6.443
54 HD22 LEU 5 1HD2 LEU 5 -15.515 -2.248 -6.751
55 HD23 LEU 5 2HD2 LEU 5 -15.866 -0.899 -5.673
56 H ALA 6 H ALA 6 -14.482 -2.243 -1.713
57 HA ALA 6 HA ALA 6 -14.489 0.655 -1.738
58 HB1 ALA 6 1HB ALA 6 -15.127 0.764 0.454
59 HB2 ALA 6 2HB ALA 6 -13.444 0.337 0.754
60 HB3 ALA 6 3HB ALA 6 -14.685 -0.915 0.772
61 H LEU 7 H LEU 7 -12.166 1.216 -0.539
62 HA LEU 7 HA LEU 7 -10.248 -0.272 -2.170
63 HB2 LEU 7 2HB LEU 7 -10.447 2.442 -1.185
64 HB3 LEU 7 1HB LEU 7 -8.896 1.738 -0.727
65 HG LEU 7 HG LEU 7 -8.839 0.877 -3.198
66 HD11 LEU 7 1HD1 LEU 7 -11.134 1.497 -3.760
67 HD12 LEU 7 2HD1 LEU 7 -10.005 2.425 -4.744
68 HD13 LEU 7 3HD1 LEU 7 -10.792 3.183 -3.363
69 HD21 LEU 7 3HD2 LEU 7 -7.339 2.620 -2.168
70 HD22 LEU 7 1HD2 LEU 7 -8.520 3.847 -2.648
71 HD23 LEU 7 2HD2 LEU 7 -7.672 2.912 -3.876
72 H ALA 8 H ALA 8 -8.397 -1.270 -1.336
73 HA ALA 8 HA ALA 8 -7.810 -1.378 1.458
74 HB1 ALA 8 1HB ALA 8 -9.901 -2.857 1.169
75 HB2 ALA 8 2HB ALA 8 -8.527 -3.543 2.033
76 HB3 ALA 8 3HB ALA 8 -8.822 -3.984 0.352
77 H LEU 9 H LEU 9 -7.469 -2.644 -1.733
78 HA LEU 9 HA LEU 9 -5.016 -4.072 -1.276
79 HB2 LEU 9 2HB LEU 9 -6.969 -3.859 -3.279
80 HB3 LEU 9 1HB LEU 9 -5.467 -3.286 -3.999
81 HG LEU 9 HG LEU 9 -5.770 -5.913 -2.510
82 HD11 LEU 9 1HD1 LEU 9 -5.423 -6.835 -4.889
83 HD12 LEU 9 2HD1 LEU 9 -5.877 -5.224 -5.443
84 HD13 LEU 9 3HD1 LEU 9 -7.013 -6.180 -4.493
85 HD21 LEU 9 3HD2 LEU 9 -3.522 -5.982 -2.548
86 HD22 LEU 9 1HD2 LEU 9 -3.475 -4.386 -3.292
87 HD23 LEU 9 2HD2 LEU 9 -3.540 -5.827 -4.304
88 H HIS 10 H HIS 10 -5.852 -1.279 -3.258
89 HA HIS 10 HA HIS 10 -3.300 -0.378 -3.883
90 HB2 HIS 10 2HB HIS 10 -5.970 0.879 -3.669
91 HB3 HIS 10 1HB HIS 10 -4.598 1.983 -3.577
92 HD1 HIS 10 1HD HIS 10 -3.108 2.242 -5.668
93 HD2 HIS 10 2HD HIS 10 -6.215 -0.509 -6.166
94 HE1 HIS 10 1HE HIS 10 -3.190 1.690 -8.146
95 HE2 HIS 10 2HE HIS 10 -5.059 -0.008 -8.465
96 H HIS 11 H HIS 11 -5.267 0.004 -1.103
97 HA HIS 11 HA HIS 11 -4.067 1.859 0.494
98 HB2 HIS 11 2HB HIS 11 -5.602 -0.607 0.787
99 HB3 HIS 11 1HB HIS 11 -4.521 -0.321 2.162
100 HD1 HIS 11 1HD HIS 11 -4.720 2.179 3.243
101 HD2 HIS 11 2HD HIS 11 -7.895 0.904 0.854
102 HE1 HIS 11 1HE HIS 11 -6.682 3.693 3.789
103 HE2 HIS 11 2HE HIS 11 -8.631 2.930 2.335
104 H LEU 12 H LEU 12 -3.143 -1.450 -0.128
105 HA LEU 12 HA LEU 12 -0.758 -1.315 1.518
106 HB2 LEU 12 2HB LEU 12 -1.588 -3.416 -0.501
107 HB3 LEU 12 1HB LEU 12 -0.339 -3.588 0.732
108 HG LEU 12 HG LEU 12 -3.242 -3.004 1.371
109 HD11 LEU 12 1HD1 LEU 12 -3.555 -5.144 0.652
110 HD12 LEU 12 2HD1 LEU 12 -2.833 -5.558 2.208
111 HD13 LEU 12 3HD1 LEU 12 -1.839 -5.539 0.752
112 HD21 LEU 12 3HD2 LEU 12 -0.734 -3.382 2.920
113 HD22 LEU 12 1HD2 LEU 12 -2.153 -4.216 3.552
114 HD23 LEU 12 2HD2 LEU 12 -2.186 -2.468 3.329
115 H ALA 13 H ALA 13 -1.582 -1.556 -1.880
116 HA ALA 13 HA ALA 13 0.928 -1.496 -3.062
117 HB1 ALA 13 1HB ALA 13 -0.120 -0.811 -5.026
118 HB2 ALA 13 2HB ALA 13 -1.226 0.270 -4.175
119 HB3 ALA 13 3HB ALA 13 -1.487 -1.475 -4.128
120 H HIS 14 H HIS 14 -0.869 0.976 -1.461
121 HA HIS 14 HA HIS 14 0.718 3.221 -2.215
122 HB2 HIS 14 2HB HIS 14 -1.260 3.929 -1.393
123 HB3 HIS 14 1HB HIS 14 -1.414 2.610 -0.258
124 HD1 HIS 14 1HD HIS 14 1.221 5.364 -0.591
125 HD2 HIS 14 2HD HIS 14 -1.382 3.734 2.234
126 HE1 HIS 14 1HE HIS 14 1.673 6.582 1.589
127 HE2 HIS 14 2HE HIS 14 0.101 5.595 3.328
128 H LEU 15 H LEU 15 0.535 1.329 0.770
129 HA LEU 15 HA LEU 15 2.805 2.436 2.029
130 HB2 LEU 15 2HB LEU 15 1.486 -0.278 2.149
131 HB3 LEU 15 1HB LEU 15 2.983 0.024 3.020
132 HG LEU 15 HG LEU 15 1.965 1.374 4.575
133 HD11 LEU 15 1HD1 LEU 15 -0.119 2.686 4.096
134 HD12 LEU 15 2HD1 LEU 15 -0.033 2.109 2.432
135 HD13 LEU 15 3HD1 LEU 15 1.247 3.135 3.078
136 HD21 LEU 15 3HD2 LEU 15 0.798 -0.824 4.566
137 HD22 LEU 15 1HD2 LEU 15 -0.417 -0.149 3.486
138 HD23 LEU 15 2HD2 LEU 15 -0.250 0.479 5.125
139 H ALA 16 H ALA 16 2.223 -0.001 -0.281
140 HA ALA 16 HA ALA 16 4.859 -1.050 -0.454
141 HB1 ALA 16 1HB ALA 16 4.020 -2.416 -2.074
142 HB2 ALA 16 2HB ALA 16 3.170 -1.103 -2.887
143 HB3 ALA 16 3HB ALA 16 2.477 -1.843 -1.443
144 H LEU 17 H LEU 17 3.241 1.647 -1.915
145 HA LEU 17 HA LEU 17 5.029 2.127 -4.016
146 HB2 LEU 17 2HB LEU 17 3.280 3.501 -4.399
147 HB3 LEU 17 1HB LEU 17 2.869 3.603 -2.697
148 HG LEU 17 HG LEU 17 5.360 5.025 -3.426
149 HD11 LEU 17 1HD1 LEU 17 3.907 6.973 -4.297
150 HD12 LEU 17 2HD1 LEU 17 2.688 5.742 -4.624
151 HD13 LEU 17 3HD1 LEU 17 4.263 5.658 -5.415
152 HD21 LEU 17 3HD2 LEU 17 4.751 6.328 -1.661
153 HD22 LEU 17 1HD2 LEU 17 3.634 5.016 -1.301
154 HD23 LEU 17 2HD2 LEU 17 3.076 6.430 -2.190
155 H HIS 18 H HIS 18 5.029 3.374 -0.693
156 HA HIS 18 HA HIS 18 7.551 4.720 -1.240
157 HB2 HIS 18 2HB HIS 18 7.547 5.406 1.064
158 HB3 HIS 18 1HB HIS 18 5.976 5.647 0.348
159 HD1 HIS 18 1HD HIS 18 7.718 3.708 2.992
160 HD2 HIS 18 2HD HIS 18 3.904 4.007 1.328
161 HE1 HIS 18 1HE HIS 18 6.130 2.619 4.639
162 HE2 HIS 18 2HE HIS 18 3.803 2.795 3.648
163 H LEU 19 H LEU 19 6.448 1.902 0.470
164 HA LEU 19 HA LEU 19 8.884 0.947 1.491
165 HB2 LEU 19 2HB LEU 19 6.331 -0.272 0.657
166 HB3 LEU 19 1HB LEU 19 7.714 -1.342 0.491
167 HG LEU 19 HG LEU 19 8.248 -1.176 2.793
168 HD11 LEU 19 1HD1 LEU 19 8.092 1.085 3.330
169 HD12 LEU 19 2HD1 LEU 19 6.714 0.415 4.202
170 HD13 LEU 19 3HD1 LEU 19 6.473 1.225 2.653
171 HD21 LEU 19 3HD2 LEU 19 5.219 -1.138 2.678
172 HD22 LEU 19 1HD2 LEU 19 6.227 -1.974 3.861
173 HD23 LEU 19 2HD2 LEU 19 6.194 -2.522 2.186
174 H ALA 20 H ALA 20 7.550 1.124 -1.676
175 HA ALA 20 HA ALA 20 9.375 -0.586 -3.038
176 HB1 ALA 20 1HB ALA 20 8.651 1.482 -4.810
177 HB2 ALA 20 2HB ALA 20 7.258 1.224 -3.766
178 HB3 ALA 20 3HB ALA 20 7.925 -0.117 -4.687
179 H LEU 21 H LEU 21 9.232 2.927 -2.884
180 HA LEU 21 HA LEU 21 11.603 3.566 -4.112
181 HB2 LEU 21 2HB LEU 21 9.755 5.074 -2.974
182 HB3 LEU 21 1HB LEU 21 10.885 5.056 -1.621
183 HG LEU 21 HG LEU 21 12.206 5.531 -4.203
184 HD11 LEU 21 1HD1 LEU 21 10.102 6.672 -4.717
185 HD12 LEU 21 2HD1 LEU 21 11.368 7.865 -4.420
186 HD13 LEU 21 3HD1 LEU 21 10.168 7.527 -3.173
187 HD21 LEU 21 3HD2 LEU 21 12.095 7.219 -1.687
188 HD22 LEU 21 1HD2 LEU 21 13.345 7.234 -2.927
189 HD23 LEU 21 2HD2 LEU 21 13.162 5.830 -1.877
190 H ALA 22 H ALA 22 11.064 2.809 -0.722
191 HA ALA 22 HA ALA 22 13.655 3.103 0.244
192 HB1 ALA 22 1HB ALA 22 12.978 1.283 1.910
193 HB2 ALA 22 2HB ALA 22 11.442 1.218 1.045
194 HB3 ALA 22 3HB ALA 22 11.947 2.710 1.842
195 H LEU 23 H LEU 23 12.148 0.276 -1.221
196 HA LEU 23 HA LEU 23 14.526 -1.341 -1.093
197 HB2 LEU 23 2HB LEU 23 11.959 -1.637 -2.668
198 HB3 LEU 23 1HB LEU 23 13.231 -2.857 -2.604
199 HG LEU 23 HG LEU 23 11.973 -1.756 -0.091
200 HD11 LEU 23 1HD1 LEU 23 10.484 -3.727 -0.119
201 HD12 LEU 23 2HD1 LEU 23 11.083 -4.155 -1.718
202 HD13 LEU 23 3HD1 LEU 23 10.166 -2.667 -1.492
203 HD21 LEU 23 3HD2 LEU 23 12.669 -4.344 0.368
204 HD22 LEU 23 1HD2 LEU 23 13.760 -2.985 0.635
205 HD23 LEU 23 2HD2 LEU 23 13.860 -3.914 -0.860
206 H LYS 24 H LYS 24 12.778 0.398 -3.570
207 HA LYS 24 HA LYS 24 14.322 -0.142 -5.802
208 HB2 LYS 24 2HB LYS 24 12.260 1.102 -6.020
209 HB3 LYS 24 1HB LYS 24 12.882 2.397 -5.004
210 HG2 LYS 24 2HG LYS 24 14.546 1.760 -7.364
211 HG3 LYS 24 1HG LYS 24 12.959 2.433 -7.732
212 HD2 LYS 24 2HD LYS 24 13.570 4.486 -7.036
213 HD3 LYS 24 1HD LYS 24 14.238 3.853 -5.531
214 HE2 LYS 24 2HE LYS 24 16.017 4.902 -6.829
215 HE3 LYS 24 1HE LYS 24 16.287 3.166 -6.760
216 HZ1 LYS 24 3HZ LYS 24 15.764 4.836 -9.021
217 HZ2 LYS 24 1HZ LYS 24 14.721 3.503 -8.965
218 HZ3 LYS 24 2HZ LYS 24 16.400 3.263 -8.966
219 H LYS 25 H LYS 25 14.740 2.348 -3.341
220 HA LYS 25 HA LYS 25 17.326 3.121 -4.474
221 HB2 LYS 25 2HB LYS 25 15.449 4.650 -3.327
222 HB3 LYS 25 1HB LYS 25 16.344 4.221 -1.876
223 HG2 LYS 25 2HG LYS 25 17.321 5.714 -4.318
224 HG3 LYS 25 1HG LYS 25 17.376 6.221 -2.633
225 HD2 LYS 25 2HD LYS 25 18.907 3.766 -3.487
226 HD3 LYS 25 1HD LYS 25 19.563 5.356 -3.828
227 HE2 LYS 25 2HE LYS 25 20.205 4.184 -1.589
228 HE3 LYS 25 1HE LYS 25 19.798 5.898 -1.565
229 HZ1 LYS 25 3HZ LYS 25 17.953 3.649 -0.920
230 HZ2 LYS 25 1HZ LYS 25 17.536 5.300 -0.916
231 HZ3 LYS 25 2HZ LYS 25 18.673 4.713 0.200
232 H ALA 26 H ALA 26 18.285 1.031 -4.077
233 HA ALA 26 HA ALA 26 18.745 0.299 -1.276
234 HB1 ALA 26 1HB ALA 26 18.175 -1.504 -2.821
235 HB2 ALA 26 2HB ALA 26 19.826 -1.709 -2.237
236 HB3 ALA 26 3HB ALA 26 19.530 -1.072 -3.855
Start of MODEL 20
1 H1 LYS 1 1HT LYS 1 -19.230 -1.384 3.829
2 H2 LYS 1 2HT LYS 1 -19.032 0.106 4.612
3 H3 LYS 1 3HT LYS 1 -18.040 -0.300 3.297
4 HA LYS 1 HA LYS 1 -20.977 0.019 3.103
5 HB2 LYS 1 2HB LYS 1 -18.710 1.975 2.646
6 HB3 LYS 1 1HB LYS 1 -20.283 2.168 1.874
7 HG2 LYS 1 2HG LYS 1 -21.275 1.958 4.245
8 HG3 LYS 1 1HG LYS 1 -19.628 2.221 4.821
9 HD2 LYS 1 2HD LYS 1 -19.709 4.258 3.124
10 HD3 LYS 1 1HD LYS 1 -21.450 4.104 3.363
11 HE2 LYS 1 2HE LYS 1 -19.414 4.395 5.596
12 HE3 LYS 1 1HE LYS 1 -20.431 5.696 4.984
13 HZ1 LYS 1 2HZ LYS 1 -21.093 3.547 6.766
14 HZ2 LYS 1 3HZ LYS 1 -22.192 3.686 5.481
15 HZ3 LYS 1 1HZ LYS 1 -21.901 5.015 6.491
16 H LYS 2 H LYS 2 -21.660 0.078 0.893
17 HA LYS 2 HA LYS 2 -20.154 -1.745 -0.751
18 HB2 LYS 2 2HB LYS 2 -22.697 -0.226 -1.366
19 HB3 LYS 2 1HB LYS 2 -22.041 -1.573 -2.295
20 HG2 LYS 2 2HG LYS 2 -22.072 -2.617 0.247
21 HG3 LYS 2 1HG LYS 2 -23.508 -1.596 0.268
22 HD2 LYS 2 2HD LYS 2 -23.021 -3.407 -2.084
23 HD3 LYS 2 1HD LYS 2 -23.686 -4.082 -0.595
24 HE2 LYS 2 2HE LYS 2 -24.842 -1.799 -2.219
25 HE3 LYS 2 1HE LYS 2 -25.521 -3.418 -2.053
26 HZ1 LYS 2 3HZ LYS 2 -25.662 -1.177 -0.257
27 HZ2 LYS 2 1HZ LYS 2 -25.219 -2.621 0.514
28 HZ3 LYS 2 2HZ LYS 2 -26.661 -2.544 -0.372
29 H ALA 3 H ALA 3 -20.621 -0.806 -3.320
30 HA ALA 3 HA ALA 3 -19.427 0.390 -4.909
31 HB1 ALA 3 1HB ALA 3 -20.598 2.469 -3.075
32 HB2 ALA 3 2HB ALA 3 -21.061 2.059 -4.725
33 HB3 ALA 3 3HB ALA 3 -19.575 2.954 -4.424
34 H LEU 4 H LEU 4 -17.826 -0.764 -2.924
35 HA LEU 4 HA LEU 4 -15.902 1.215 -2.032
36 HB2 LEU 4 2HB LEU 4 -16.686 -1.137 -0.969
37 HB3 LEU 4 1HB LEU 4 -15.278 -1.683 -1.884
38 HG LEU 4 HG LEU 4 -14.215 0.519 -0.761
39 HD11 LEU 4 1HD1 LEU 4 -16.472 0.906 0.412
40 HD12 LEU 4 2HD1 LEU 4 -15.034 0.924 1.434
41 HD13 LEU 4 3HD1 LEU 4 -16.068 -0.500 1.394
42 HD21 LEU 4 3HD2 LEU 4 -13.884 -1.325 1.280
43 HD22 LEU 4 1HD2 LEU 4 -12.926 -1.271 -0.202
44 HD23 LEU 4 2HD2 LEU 4 -14.323 -2.341 -0.089
45 H LEU 5 H LEU 5 -13.579 0.868 -2.447
46 HA LEU 5 HA LEU 5 -13.073 -0.022 -5.225
47 HB2 LEU 5 2HB LEU 5 -12.573 2.515 -3.917
48 HB3 LEU 5 1HB LEU 5 -11.052 1.789 -4.431
49 HG LEU 5 HG LEU 5 -12.074 3.231 -6.191
50 HD11 LEU 5 1HD1 LEU 5 -10.621 1.264 -6.747
51 HD12 LEU 5 2HD1 LEU 5 -11.776 1.667 -8.014
52 HD13 LEU 5 3HD1 LEU 5 -12.079 0.295 -6.954
53 HD21 LEU 5 3HD2 LEU 5 -14.186 1.144 -6.610
54 HD22 LEU 5 1HD2 LEU 5 -14.173 2.834 -7.105
55 HD23 LEU 5 2HD2 LEU 5 -14.462 2.413 -5.416
56 H ALA 6 H ALA 6 -10.477 -0.232 -5.379
57 HA ALA 6 HA ALA 6 -9.806 -2.437 -3.683
58 HB1 ALA 6 1HB ALA 6 -7.697 -2.463 -4.891
59 HB2 ALA 6 2HB ALA 6 -8.009 -0.847 -5.525
60 HB3 ALA 6 3HB ALA 6 -9.015 -2.202 -6.034
61 H LEU 7 H LEU 7 -10.401 -0.407 -2.011
62 HA LEU 7 HA LEU 7 -8.475 1.371 -1.152
63 HB2 LEU 7 2HB LEU 7 -10.455 -0.239 0.485
64 HB3 LEU 7 1HB LEU 7 -9.503 1.099 1.128
65 HG LEU 7 HG LEU 7 -11.315 1.356 -1.285
66 HD11 LEU 7 1HD1 LEU 7 -12.946 2.379 0.205
67 HD12 LEU 7 2HD1 LEU 7 -11.855 2.203 1.575
68 HD13 LEU 7 3HD1 LEU 7 -12.554 0.772 0.827
69 HD21 LEU 7 3HD2 LEU 7 -9.807 3.142 -1.366
70 HD22 LEU 7 1HD2 LEU 7 -9.631 3.205 0.382
71 HD23 LEU 7 2HD2 LEU 7 -11.094 3.828 -0.376
72 H ALA 8 H ALA 8 -9.035 -1.317 1.002
73 HA ALA 8 HA ALA 8 -6.652 -1.462 2.256
74 HB1 ALA 8 1HB ALA 8 -8.028 -4.001 1.398
75 HB2 ALA 8 2HB ALA 8 -8.733 -2.924 2.603
76 HB3 ALA 8 3HB ALA 8 -7.168 -3.678 2.900
77 H LEU 9 H LEU 9 -7.296 -2.519 -0.948
78 HA LEU 9 HA LEU 9 -4.876 -4.026 -1.300
79 HB2 LEU 9 2HB LEU 9 -7.171 -3.176 -2.895
80 HB3 LEU 9 1HB LEU 9 -5.653 -3.183 -3.791
81 HG LEU 9 HG LEU 9 -5.262 -5.535 -2.833
82 HD11 LEU 9 1HD1 LEU 9 -7.246 -6.738 -2.062
83 HD12 LEU 9 2HD1 LEU 9 -8.242 -5.309 -2.309
84 HD13 LEU 9 3HD1 LEU 9 -7.014 -5.311 -1.049
85 HD21 LEU 9 3HD2 LEU 9 -6.008 -5.074 -5.184
86 HD22 LEU 9 1HD2 LEU 9 -7.679 -5.166 -4.632
87 HD23 LEU 9 2HD2 LEU 9 -6.646 -6.592 -4.546
88 H HIS 10 H HIS 10 -5.974 -1.074 -2.855
89 HA HIS 10 HA HIS 10 -3.498 -0.177 -3.793
90 HB2 HIS 10 2HB HIS 10 -5.969 1.324 -2.915
91 HB3 HIS 10 1HB HIS 10 -4.554 2.134 -3.572
92 HD1 HIS 10 1HD HIS 10 -6.395 2.754 -5.537
93 HD2 HIS 10 2HD HIS 10 -5.131 -1.215 -5.325
94 HE1 HIS 10 1HE HIS 10 -6.954 1.701 -7.775
95 HE2 HIS 10 2HE HIS 10 -6.235 -0.733 -7.641
96 H HIS 11 H HIS 11 -5.154 0.195 -0.802
97 HA HIS 11 HA HIS 11 -3.691 1.971 0.672
98 HB2 HIS 11 2HB HIS 11 -5.227 -0.507 1.151
99 HB3 HIS 11 1HB HIS 11 -4.145 -0.007 2.462
100 HD1 HIS 11 1HD HIS 11 -5.604 1.221 4.116
101 HD2 HIS 11 2HD HIS 11 -6.457 2.307 0.181
102 HE1 HIS 11 1HE HIS 11 -7.296 3.104 4.238
103 HE2 HIS 11 2HE HIS 11 -7.793 3.804 1.844
104 H LEU 12 H LEU 12 -3.024 -1.380 -0.056
105 HA LEU 12 HA LEU 12 -0.516 -1.385 1.417
106 HB2 LEU 12 2HB LEU 12 -2.216 -3.377 0.071
107 HB3 LEU 12 1HB LEU 12 -0.491 -3.647 -0.165
108 HG LEU 12 HG LEU 12 -1.398 -4.784 1.870
109 HD11 LEU 12 1HD1 LEU 12 0.494 -4.335 3.164
110 HD12 LEU 12 2HD1 LEU 12 0.474 -2.616 2.773
111 HD13 LEU 12 3HD1 LEU 12 1.003 -3.790 1.571
112 HD21 LEU 12 3HD2 LEU 12 -2.409 -3.632 3.600
113 HD22 LEU 12 1HD2 LEU 12 -2.900 -2.591 2.268
114 HD23 LEU 12 2HD2 LEU 12 -1.521 -2.144 3.271
115 H ALA 13 H ALA 13 -1.671 -1.419 -1.869
116 HA ALA 13 HA ALA 13 0.789 -1.530 -3.227
117 HB1 ALA 13 1HB ALA 13 -0.409 -1.031 -5.110
118 HB2 ALA 13 2HB ALA 13 -1.235 0.326 -4.349
119 HB3 ALA 13 3HB ALA 13 -1.790 -1.322 -4.056
120 H HIS 14 H HIS 14 -0.839 0.958 -1.506
121 HA HIS 14 HA HIS 14 0.773 3.158 -2.361
122 HB2 HIS 14 2HB HIS 14 -1.204 3.899 -1.544
123 HB3 HIS 14 1HB HIS 14 -1.335 2.637 -0.342
124 HD1 HIS 14 1HD HIS 14 0.988 5.621 -0.958
125 HD2 HIS 14 2HD HIS 14 -0.947 3.645 2.169
126 HE1 HIS 14 1HE HIS 14 1.573 6.886 1.159
127 HE2 HIS 14 2HE HIS 14 0.449 5.663 3.090
128 H LEU 15 H LEU 15 0.607 1.208 0.582
129 HA LEU 15 HA LEU 15 2.864 2.288 1.879
130 HB2 LEU 15 2HB LEU 15 1.457 -0.371 1.959
131 HB3 LEU 15 1HB LEU 15 3.029 -0.222 2.732
132 HG LEU 15 HG LEU 15 2.213 1.040 4.441
133 HD11 LEU 15 1HD1 LEU 15 0.218 2.615 4.110
134 HD12 LEU 15 2HD1 LEU 15 0.362 2.258 2.391
135 HD13 LEU 15 3HD1 LEU 15 1.691 3.044 3.243
136 HD21 LEU 15 3HD2 LEU 15 0.715 -0.997 4.133
137 HD22 LEU 15 1HD2 LEU 15 -0.466 0.101 3.416
138 HD23 LEU 15 2HD2 LEU 15 0.034 0.317 5.094
139 H ALA 16 H ALA 16 2.264 -0.092 -0.493
140 HA ALA 16 HA ALA 16 4.900 -1.134 -0.746
141 HB1 ALA 16 1HB ALA 16 2.867 -0.997 -2.965
142 HB2 ALA 16 2HB ALA 16 2.765 -2.175 -1.657
143 HB3 ALA 16 3HB ALA 16 4.152 -2.182 -2.745
144 H LEU 17 H LEU 17 3.252 1.621 -2.062
145 HA LEU 17 HA LEU 17 4.989 2.244 -4.149
146 HB2 LEU 17 2HB LEU 17 3.557 3.944 -4.432
147 HB3 LEU 17 1HB LEU 17 2.723 3.379 -2.997
148 HG LEU 17 HG LEU 17 4.313 4.825 -1.632
149 HD11 LEU 17 1HD1 LEU 17 4.889 6.704 -3.714
150 HD12 LEU 17 2HD1 LEU 17 5.518 5.135 -4.211
151 HD13 LEU 17 3HD1 LEU 17 6.031 5.848 -2.681
152 HD21 LEU 17 3HD2 LEU 17 2.783 6.516 -3.595
153 HD22 LEU 17 1HD2 LEU 17 2.933 6.705 -1.845
154 HD23 LEU 17 2HD2 LEU 17 1.922 5.420 -2.513
155 H HIS 18 H HIS 18 5.071 3.275 -0.769
156 HA HIS 18 HA HIS 18 7.620 4.597 -1.255
157 HB2 HIS 18 2HB HIS 18 7.637 5.162 1.078
158 HB3 HIS 18 1HB HIS 18 6.061 5.479 0.394
159 HD1 HIS 18 1HD HIS 18 7.792 3.349 2.900
160 HD2 HIS 18 2HD HIS 18 3.963 3.807 1.295
161 HE1 HIS 18 1HE HIS 18 6.209 2.104 4.449
162 HE2 HIS 18 2HE HIS 18 3.863 2.406 3.510
163 H LEU 19 H LEU 19 6.417 1.736 0.297
164 HA LEU 19 HA LEU 19 8.773 0.613 1.298
165 HB2 LEU 19 2HB LEU 19 6.194 -0.398 0.384
166 HB3 LEU 19 1HB LEU 19 7.494 -1.514 0.006
167 HG LEU 19 HG LEU 19 8.056 -1.829 2.238
168 HD11 LEU 19 1HD1 LEU 19 7.017 0.933 2.535
169 HD12 LEU 19 2HD1 LEU 19 8.411 0.167 3.302
170 HD13 LEU 19 3HD1 LEU 19 6.790 -0.125 3.931
171 HD21 LEU 19 3HD2 LEU 19 5.792 -2.706 1.714
172 HD22 LEU 19 1HD2 LEU 19 5.093 -1.198 2.313
173 HD23 LEU 19 2HD2 LEU 19 5.956 -2.271 3.417
174 H ALA 20 H ALA 20 7.519 0.998 -1.898
175 HA ALA 20 HA ALA 20 9.433 -0.624 -3.275
176 HB1 ALA 20 1HB ALA 20 8.753 0.580 -5.297
177 HB2 ALA 20 2HB ALA 20 7.916 1.775 -4.313
178 HB3 ALA 20 3HB ALA 20 7.338 0.110 -4.358
179 H LEU 21 H LEU 21 9.176 2.890 -3.069
180 HA LEU 21 HA LEU 21 11.666 3.554 -4.079
181 HB2 LEU 21 2HB LEU 21 10.155 4.903 -1.826
182 HB3 LEU 21 1HB LEU 21 11.501 5.622 -2.709
183 HG LEU 21 HG LEU 21 8.843 4.757 -3.892
184 HD11 LEU 21 1HD1 LEU 21 8.177 6.894 -3.592
185 HD12 LEU 21 2HD1 LEU 21 9.677 7.516 -4.275
186 HD13 LEU 21 3HD1 LEU 21 9.594 7.112 -2.562
187 HD21 LEU 21 3HD2 LEU 21 10.027 6.156 -5.850
188 HD22 LEU 21 1HD2 LEU 21 10.270 4.416 -5.683
189 HD23 LEU 21 2HD2 LEU 21 11.479 5.542 -5.066
190 H ALA 22 H ALA 22 10.739 2.913 -0.750
191 HA ALA 22 HA ALA 22 13.197 3.215 0.504
192 HB1 ALA 22 1HB ALA 22 12.228 1.206 1.969
193 HB2 ALA 22 2HB ALA 22 10.766 1.598 1.067
194 HB3 ALA 22 3HB ALA 22 11.549 2.831 2.053
195 H LEU 23 H LEU 23 11.942 0.497 -1.304
196 HA LEU 23 HA LEU 23 14.261 -1.164 -0.764
197 HB2 LEU 23 2HB LEU 23 11.642 -1.497 -2.070
198 HB3 LEU 23 1HB LEU 23 12.961 -2.348 -2.874
199 HG LEU 23 HG LEU 23 13.563 -3.066 -0.391
200 HD11 LEU 23 1HD1 LEU 23 11.585 -3.346 0.997
201 HD12 LEU 23 2HD1 LEU 23 10.560 -2.662 -0.262
202 HD13 LEU 23 3HD1 LEU 23 11.732 -1.641 0.570
203 HD21 LEU 23 3HD2 LEU 23 12.310 -5.113 -0.759
204 HD22 LEU 23 1HD2 LEU 23 12.904 -4.539 -2.319
205 HD23 LEU 23 2HD2 LEU 23 11.217 -4.286 -1.868
206 H LYS 24 H LYS 24 12.793 0.347 -3.586
207 HA LYS 24 HA LYS 24 14.782 -0.191 -5.461
208 HB2 LYS 24 2HB LYS 24 12.680 1.904 -5.164
209 HB3 LYS 24 1HB LYS 24 13.930 2.155 -6.382
210 HG2 LYS 24 2HG LYS 24 13.093 -0.563 -6.595
211 HG3 LYS 24 1HG LYS 24 11.636 0.424 -6.509
212 HD2 LYS 24 2HD LYS 24 12.395 0.161 -8.844
213 HD3 LYS 24 1HD LYS 24 12.475 1.846 -8.333
214 HE2 LYS 24 2HE LYS 24 14.649 1.875 -8.907
215 HE3 LYS 24 1HE LYS 24 14.971 0.697 -7.637
216 HZ1 LYS 24 3HZ LYS 24 15.609 -0.575 -9.351
217 HZ2 LYS 24 1HZ LYS 24 14.746 0.330 -10.493
218 HZ3 LYS 24 2HZ LYS 24 13.952 -0.855 -9.566
219 H LYS 25 H LYS 25 14.387 2.691 -3.456
220 HA LYS 25 HA LYS 25 17.119 3.533 -4.114
221 HB2 LYS 25 2HB LYS 25 15.327 5.211 -4.320
222 HB3 LYS 25 1HB LYS 25 14.883 4.963 -2.637
223 HG2 LYS 25 2HG LYS 25 16.497 6.959 -3.405
224 HG3 LYS 25 1HG LYS 25 16.690 6.170 -1.848
225 HD2 LYS 25 2HD LYS 25 18.375 4.623 -2.942
226 HD3 LYS 25 1HD LYS 25 18.251 5.622 -4.389
227 HE2 LYS 25 2HE LYS 25 20.167 6.266 -2.910
228 HE3 LYS 25 1HE LYS 25 19.022 7.578 -3.171
229 HZ1 LYS 25 3HZ LYS 25 18.189 6.089 -0.927
230 HZ2 LYS 25 1HZ LYS 25 18.707 7.702 -0.997
231 HZ3 LYS 25 2HZ LYS 25 19.834 6.462 -0.744
232 H ALA 26 H ALA 26 16.123 4.789 -1.189
233 HA ALA 26 HA ALA 26 16.545 2.893 0.762
234 HB1 ALA 26 1HB ALA 26 18.722 2.338 0.675
235 HB2 ALA 26 2HB ALA 26 19.127 4.021 1.003
236 HB3 ALA 26 3HB ALA 26 18.986 3.460 -0.658