Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
634218 | 5z1y RC | 36146 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ASN 1 H ASN 1 4.360 8.500 -0.133
2 HA ASN 1 HA ASN 1 6.640 9.952 -1.029
3 HB2 ASN 1 2HB ASN 1 5.708 10.618 1.048
4 HB3 ASN 1 1HB ASN 1 5.757 8.974 1.684
5 HD21 ASN 1 1HD2 ASN 1 7.885 11.684 0.683
6 HD22 ASN 1 2HD2 ASN 1 9.198 11.206 1.646
7 H LEU 2 H LEU 2 7.178 7.655 1.518
8 HA LEU 2 HA LEU 2 9.654 6.797 0.473
9 HB2 LEU 2 2HB LEU 2 8.935 6.716 2.909
10 HB3 LEU 2 1HB LEU 2 7.968 5.305 2.497
11 HG LEU 2 HG LEU 2 10.042 4.206 1.601
12 HD11 LEU 2 1HD1 LEU 2 12.095 5.523 2.894
13 HD12 LEU 2 2HD1 LEU 2 11.753 5.636 1.168
14 HD13 LEU 2 3HD1 LEU 2 11.133 6.861 2.273
15 HD21 LEU 2 1HD2 LEU 2 9.501 3.452 3.749
16 HD22 LEU 2 2HD2 LEU 2 11.135 4.068 3.992
17 HD23 LEU 2 3HD2 LEU 2 9.745 5.040 4.476
18 H CYS 3 H CYS 3 6.390 5.496 0.269
19 HA CYS 3 HA CYS 3 6.808 2.927 -0.635
20 HB2 CYS 3 2HB CYS 3 4.568 3.777 -0.254
21 HB3 CYS 3 1HB CYS 3 4.744 4.934 -1.573
22 H ALA 4 H ALA 4 7.658 2.011 -2.385
23 HA ALA 4 HA ALA 4 7.900 3.535 -4.877
24 HB1 ALA 4 1HB ALA 4 10.012 3.741 -3.384
25 HB2 ALA 4 2HB ALA 4 10.300 2.059 -3.825
26 HB3 ALA 4 3HB ALA 4 10.224 3.299 -5.078
27 H SER 5 H SER 5 8.938 0.453 -3.386
28 HA SER 5 HA SER 5 8.589 -1.027 -5.812
29 HB2 SER 5 2HB SER 5 9.121 -2.967 -4.483
30 HB3 SER 5 1HB SER 5 10.167 -1.650 -3.962
31 HG SER 5 HG SER 5 8.934 -2.981 -2.325
32 H LEU 6 H LEU 6 7.087 -2.820 -6.087
33 HA LEU 6 HA LEU 6 4.395 -2.058 -5.678
34 HB2 LEU 6 2HB LEU 6 3.848 -4.280 -6.587
35 HB3 LEU 6 1HB LEU 6 5.105 -3.495 -7.544
36 HG LEU 6 HG LEU 6 6.563 -4.832 -5.613
37 HD11 LEU 6 1HD1 LEU 6 4.425 -6.740 -6.582
38 HD12 LEU 6 2HD1 LEU 6 5.681 -7.037 -5.380
39 HD13 LEU 6 3HD1 LEU 6 4.343 -5.953 -5.006
40 HD21 LEU 6 1HD2 LEU 6 7.114 -6.385 -7.474
41 HD22 LEU 6 2HD2 LEU 6 5.727 -5.775 -8.375
42 HD23 LEU 6 3HD2 LEU 6 7.081 -4.707 -8.012
43 H ARG 7 H ARG 7 6.634 -3.838 -3.746
44 HA ARG 7 HA ARG 7 4.926 -5.436 -2.209
45 HB2 ARG 7 2HB ARG 7 7.399 -5.566 -2.132
46 HB3 ARG 7 1HB ARG 7 7.436 -4.013 -1.292
47 HG2 ARG 7 2HG ARG 7 6.180 -4.928 0.573
48 HG3 ARG 7 1HG ARG 7 5.956 -6.456 -0.279
49 HD2 ARG 7 2HD ARG 7 7.776 -6.684 1.332
50 HD3 ARG 7 1HD ARG 7 8.423 -6.774 -0.303
51 HE ARG 7 HE ARG 7 8.498 -4.091 0.655
52 HH11 ARG 7 1HH1 ARG 7 9.986 -7.200 0.964
53 HH12 ARG 7 2HH1 ARG 7 11.531 -6.568 1.427
54 HH21 ARG 7 1HH2 ARG 7 10.520 -3.254 1.264
55 HH22 ARG 7 2HH2 ARG 7 11.832 -4.334 1.598
56 H ALA 8 H ALA 8 5.771 -2.028 -1.936
57 HA ALA 8 HA ALA 8 4.632 -1.512 0.579
58 HB1 ALA 8 1HB ALA 8 5.972 0.210 -0.257
59 HB2 ALA 8 2HB ALA 8 5.196 0.176 -1.840
60 HB3 ALA 8 3HB ALA 8 4.347 0.855 -0.453
61 H ARG 9 H ARG 9 3.230 -1.581 -2.650
62 HA ARG 9 HA ARG 9 0.683 -0.564 -1.908
63 HB2 ARG 9 2HB ARG 9 1.584 -2.238 -4.255
64 HB3 ARG 9 1HB ARG 9 -0.063 -1.629 -4.076
65 HG2 ARG 9 2HG ARG 9 0.800 0.680 -3.948
66 HG3 ARG 9 1HG ARG 9 2.447 0.074 -4.125
67 HD2 ARG 9 2HD ARG 9 1.870 -0.867 -6.328
68 HD3 ARG 9 1HD ARG 9 0.222 -0.272 -6.154
69 HE ARG 9 HE ARG 9 1.986 1.900 -5.832
70 HH11 ARG 9 1HH1 ARG 9 0.911 -0.371 -8.209
71 HH12 ARG 9 2HH1 ARG 9 1.158 0.702 -9.547
72 HH21 ARG 9 1HH2 ARG 9 2.311 3.314 -7.580
73 HH22 ARG 9 2HH2 ARG 9 1.950 2.789 -9.190
74 H HIS 10 H HIS 10 2.203 -3.435 -1.130
75 HA HIS 10 HA HIS 10 -0.362 -4.865 -0.776
76 HB2 HIS 10 2HB HIS 10 1.516 -5.911 -2.149
77 HB3 HIS 10 1HB HIS 10 2.395 -6.068 -0.625
78 HD1 HIS 10 1HD HIS 10 1.240 -7.572 1.248
79 HD2 HIS 10 2HD HIS 10 -0.531 -7.788 -2.520
80 HE1 HIS 10 1HE HIS 10 -0.271 -9.605 1.283
81 HE2 HIS 10 2HE HIS 10 -1.359 -9.750 -1.007
82 H THR 11 H THR 11 2.791 -4.377 0.819
83 HA THR 11 HA THR 11 1.648 -5.144 3.401
84 HB THR 11 HB THR 11 3.962 -5.009 4.199
85 HG1 THR 11 1HG THR 11 5.355 -3.908 3.116
86 HG21 THR 11 1HG2 THR 11 4.123 -6.434 1.565
87 HG22 THR 11 2HG2 THR 11 4.697 -6.953 3.150
88 HG23 THR 11 3HG2 THR 11 2.974 -6.988 2.783
89 H ILE 12 H ILE 12 2.190 -2.313 1.628
90 HA ILE 12 HA ILE 12 1.972 -0.672 4.083
91 HB ILE 12 HB ILE 12 3.345 0.181 1.538
92 HG12 ILE 12 2HG1 ILE 12 4.478 -1.758 2.857
93 HG13 ILE 12 1HG1 ILE 12 5.438 -0.341 2.439
94 HG21 ILE 12 1HG2 ILE 12 4.335 1.856 3.178
95 HG22 ILE 12 2HG2 ILE 12 2.649 2.084 2.717
96 HG23 ILE 12 3HG2 ILE 12 3.051 1.366 4.280
97 HD11 ILE 12 1HD1 ILE 12 5.443 0.465 4.635
98 HD12 ILE 12 2HD1 ILE 12 3.981 -0.399 5.071
99 HD13 ILE 12 3HD1 ILE 12 5.497 -1.274 4.901
100 HA PRO 13 HA PRO 13 -1.850 -0.086 1.482
101 HB2 PRO 13 2HB PRO 13 -2.770 0.902 4.128
102 HB3 PRO 13 1HB PRO 13 -3.545 -0.250 3.026
103 HG2 PRO 13 2HG PRO 13 -2.377 -1.001 5.293
104 HG3 PRO 13 1HG PRO 13 -2.372 -2.025 3.845
105 HD2 PRO 13 2HD PRO 13 -0.150 -0.424 5.041
106 HD3 PRO 13 1HD PRO 13 -0.079 -1.942 4.120
107 H GLN 14 H GLN 14 -0.182 1.977 3.777
108 HA GLN 14 HA GLN 14 -1.501 4.375 3.303
109 HB2 GLN 14 2HB GLN 14 1.407 3.844 3.948
110 HB3 GLN 14 1HB GLN 14 0.707 5.462 3.910
111 HG2 GLN 14 2HG GLN 14 -0.936 4.793 5.621
112 HG3 GLN 14 1HG GLN 14 -0.233 3.177 5.665
113 HE21 GLN 14 1HE2 GLN 14 0.937 3.055 7.602
114 HE22 GLN 14 2HE2 GLN 14 2.030 4.237 8.138
115 H CYS 15 H CYS 15 0.758 2.618 1.344
116 HA CYS 15 HA CYS 15 1.605 4.672 -0.394
117 HB2 CYS 15 2HB CYS 15 2.609 2.386 -0.274
118 HB3 CYS 15 1HB CYS 15 1.161 1.748 -1.050
119 H ARG 16 H ARG 16 -1.228 2.529 -0.398
120 HA ARG 16 HA ARG 16 -2.195 3.265 -2.926
121 HB2 ARG 16 2HB ARG 16 -4.063 2.020 -2.439
122 HB3 ARG 16 1HB ARG 16 -2.964 1.393 -1.208
123 HG2 ARG 16 2HG ARG 16 -3.900 3.199 0.335
124 HG3 ARG 16 1HG ARG 16 -5.160 3.450 -0.858
125 HD2 ARG 16 2HD ARG 16 -4.528 0.776 0.400
126 HD3 ARG 16 1HD ARG 16 -5.774 1.871 0.987
127 HE ARG 16 HE ARG 16 -6.245 1.481 -1.741
128 HH11 ARG 16 1HH1 ARG 16 -6.124 -0.324 1.209
129 HH12 ARG 16 2HH1 ARG 16 -7.299 -1.494 0.706
130 HH21 ARG 16 1HH2 ARG 16 -7.790 -0.048 -2.411
131 HH22 ARG 16 2HH2 ARG 16 -8.244 -1.336 -1.345
132 H LYS 17 H LYS 17 -2.737 4.664 0.285
133 HA LYS 17 HA LYS 17 -4.676 6.573 -0.549
134 HB2 LYS 17 2HB LYS 17 -2.802 6.501 1.820
135 HB3 LYS 17 1HB LYS 17 -3.990 7.781 1.576
136 HG2 LYS 17 2HG LYS 17 -5.797 6.099 1.511
137 HG3 LYS 17 1HG LYS 17 -4.615 4.823 1.755
138 HD2 LYS 17 2HD LYS 17 -4.003 5.728 3.930
139 HD3 LYS 17 1HD LYS 17 -5.092 7.094 3.690
140 HE2 LYS 17 2HE LYS 17 -6.174 5.398 5.098
141 HE3 LYS 17 1HE LYS 17 -7.010 5.524 3.550
142 HZ1 LYS 17 1HZ LYS 17 -6.398 3.468 2.959
143 HZ2 LYS 17 2HZ LYS 17 -4.835 3.620 3.608
144 HZ3 LYS 17 3HZ LYS 17 -6.137 3.227 4.621
145 H PHE 18 H PHE 18 -1.163 6.663 -0.299
146 HA PHE 18 HA PHE 18 -0.771 9.393 -0.856
147 HB2 PHE 18 2HB PHE 18 1.003 7.989 0.015
148 HB3 PHE 18 1HB PHE 18 0.996 7.022 -1.461
149 HD1 PHE 18 1HD PHE 18 2.331 7.647 -3.268
150 HD2 PHE 18 2HD PHE 18 1.344 10.546 -0.263
151 HE1 PHE 18 1HE PHE 18 3.824 9.300 -4.366
152 HE2 PHE 18 2HE PHE 18 2.836 12.193 -1.351
153 HZ PHE 18 HZ PHE 18 4.065 11.570 -3.400
154 H GLY 19 H GLY 19 -0.881 6.585 -3.050
155 HA2 GLY 19 2HA GLY 19 -0.956 8.457 -5.342
156 HA3 GLY 19 1HA GLY 19 -0.520 6.752 -5.431
157 H ARG 20 H ARG 20 -2.801 8.757 -6.423
158 HA ARG 20 HA ARG 20 -4.941 6.728 -6.192
159 HB2 ARG 20 2HB ARG 20 -5.179 8.970 -4.821
160 HB3 ARG 20 1HB ARG 20 -5.627 9.636 -6.392
161 HG2 ARG 20 2HG ARG 20 -7.705 8.937 -5.647
162 HG3 ARG 20 1HG ARG 20 -7.175 7.477 -6.482
163 HD2 ARG 20 2HD ARG 20 -7.969 6.752 -4.350
164 HD3 ARG 20 1HD ARG 20 -6.213 6.707 -4.247
165 HE ARG 20 HE ARG 20 -7.205 9.232 -3.371
166 HH11 ARG 20 1HH1 ARG 20 -6.884 5.900 -2.493
167 HH12 ARG 20 2HH1 ARG 20 -6.863 6.208 -0.789
168 HH21 ARG 20 1HH2 ARG 20 -7.183 9.643 -1.138
169 HH22 ARG 20 2HH2 ARG 20 -7.032 8.327 -0.022
170 H ARG 21 H ARG 21 -3.922 9.644 -7.977
171 HA ARG 21 HA ARG 21 -4.288 10.250 -10.178
172 HB2 ARG 21 2HB ARG 21 -3.351 7.384 -10.372
173 HB3 ARG 21 1HB ARG 21 -3.522 8.440 -11.775
174 HG2 ARG 21 2HG ARG 21 -1.952 10.047 -10.782
175 HG3 ARG 21 1HG ARG 21 -1.806 9.034 -9.347
176 HD2 ARG 21 2HD ARG 21 -0.882 7.209 -10.700
177 HD3 ARG 21 1HD ARG 21 -1.075 8.176 -12.160
178 HE ARG 21 HE ARG 21 0.815 9.403 -11.551
179 HH11 ARG 21 1HH1 ARG 21 -0.301 7.401 -8.956
180 HH12 ARG 21 2HH1 ARG 21 1.099 7.663 -7.970
181 HH21 ARG 21 1HH2 ARG 21 2.650 9.750 -10.263
182 HH22 ARG 21 2HH2 ARG 21 2.768 8.993 -8.710
Start of MODEL 2
1 H1 ASN 1 H ASN 1 10.545 5.445 4.009
2 HA ASN 1 HA ASN 1 8.022 6.662 4.246
3 HB2 ASN 1 2HB ASN 1 10.621 7.509 4.488
4 HB3 ASN 1 1HB ASN 1 10.098 8.344 3.027
5 HD21 ASN 1 1HD2 ASN 1 10.621 9.570 5.682
6 HD22 ASN 1 2HD2 ASN 1 9.160 10.291 6.161
7 H LEU 2 H LEU 2 9.936 5.804 1.448
8 HA LEU 2 HA LEU 2 7.996 7.133 -0.332
9 HB2 LEU 2 2HB LEU 2 10.381 7.656 -0.733
10 HB3 LEU 2 1HB LEU 2 10.714 5.941 -0.957
11 HG LEU 2 HG LEU 2 9.154 5.894 -2.889
12 HD11 LEU 2 1HD1 LEU 2 8.695 8.704 -1.980
13 HD12 LEU 2 2HD1 LEU 2 8.660 8.384 -3.713
14 HD13 LEU 2 3HD1 LEU 2 7.549 7.535 -2.640
15 HD21 LEU 2 1HD2 LEU 2 11.687 6.689 -2.949
16 HD22 LEU 2 2HD2 LEU 2 10.681 6.780 -4.395
17 HD23 LEU 2 3HD2 LEU 2 10.960 8.225 -3.424
18 H CYS 3 H CYS 3 6.554 5.964 -1.429
19 HA CYS 3 HA CYS 3 6.605 3.054 -1.164
20 HB2 CYS 3 2HB CYS 3 4.513 4.874 -2.383
21 HB3 CYS 3 1HB CYS 3 4.325 3.154 -2.047
22 H ALA 4 H ALA 4 8.671 3.924 -2.766
23 HA ALA 4 HA ALA 4 7.964 3.941 -5.550
24 HB1 ALA 4 1HB ALA 4 10.382 4.211 -3.956
25 HB2 ALA 4 2HB ALA 4 10.646 3.190 -5.369
26 HB3 ALA 4 3HB ALA 4 10.028 4.831 -5.568
27 H SER 5 H SER 5 8.257 1.512 -3.200
28 HA SER 5 HA SER 5 8.793 -0.579 -5.202
29 HB2 SER 5 2HB SER 5 10.178 -0.738 -3.228
30 HB3 SER 5 1HB SER 5 8.768 -0.639 -2.177
31 HG SER 5 HG SER 5 9.332 -2.682 -4.074
32 H LEU 6 H LEU 6 7.213 -1.841 -5.940
33 HA LEU 6 HA LEU 6 4.497 -1.380 -5.394
34 HB2 LEU 6 2HB LEU 6 4.093 -3.455 -6.671
35 HB3 LEU 6 1HB LEU 6 5.274 -2.422 -7.475
36 HG LEU 6 HG LEU 6 6.878 -3.941 -5.836
37 HD11 LEU 6 1HD1 LEU 6 4.919 -5.891 -7.049
38 HD12 LEU 6 2HD1 LEU 6 6.178 -6.196 -5.851
39 HD13 LEU 6 3HD1 LEU 6 4.722 -5.311 -5.394
40 HD21 LEU 6 1HD2 LEU 6 7.287 -3.406 -8.197
41 HD22 LEU 6 2HD2 LEU 6 7.468 -5.140 -7.930
42 HD23 LEU 6 3HD2 LEU 6 6.004 -4.513 -8.686
43 H ARG 7 H ARG 7 6.846 -3.162 -3.675
44 HA ARG 7 HA ARG 7 5.280 -5.172 -2.483
45 HB2 ARG 7 2HB ARG 7 7.782 -5.003 -2.367
46 HB3 ARG 7 1HB ARG 7 7.585 -3.686 -1.205
47 HG2 ARG 7 2HG ARG 7 6.441 -5.139 0.351
48 HG3 ARG 7 1HG ARG 7 6.401 -6.449 -0.830
49 HD2 ARG 7 2HD ARG 7 8.936 -5.222 0.295
50 HD3 ARG 7 1HD ARG 7 8.219 -6.728 0.860
51 HE ARG 7 HE ARG 7 8.554 -6.979 -1.901
52 HH11 ARG 7 1HH1 ARG 7 10.471 -6.495 0.942
53 HH12 ARG 7 2HH1 ARG 7 11.865 -7.303 0.304
54 HH21 ARG 7 1HH2 ARG 7 10.381 -8.037 -2.741
55 HH22 ARG 7 2HH2 ARG 7 11.815 -8.175 -1.779
56 H ALA 8 H ALA 8 5.837 -1.789 -1.614
57 HA ALA 8 HA ALA 8 4.570 -1.797 0.893
58 HB1 ALA 8 1HB ALA 8 5.915 0.044 -0.535
59 HB2 ALA 8 2HB ALA 8 4.265 0.606 -0.808
60 HB3 ALA 8 3HB ALA 8 4.884 0.458 0.835
61 H ARG 9 H ARG 9 3.258 -1.008 -2.323
62 HA ARG 9 HA ARG 9 0.643 -0.451 -1.480
63 HB2 ARG 9 2HB ARG 9 1.703 -1.501 -4.109
64 HB3 ARG 9 1HB ARG 9 0.014 -1.057 -3.858
65 HG2 ARG 9 2HG ARG 9 0.668 1.219 -3.246
66 HG3 ARG 9 1HG ARG 9 2.373 0.793 -3.390
67 HD2 ARG 9 2HD ARG 9 0.387 0.587 -5.668
68 HD3 ARG 9 1HD ARG 9 1.437 1.976 -5.408
69 HE ARG 9 HE ARG 9 3.053 -0.314 -5.446
70 HH11 ARG 9 1HH1 ARG 9 0.954 1.497 -7.515
71 HH12 ARG 9 2HH1 ARG 9 1.795 1.074 -8.969
72 HH21 ARG 9 1HH2 ARG 9 4.156 -0.880 -7.349
73 HH22 ARG 9 2HH2 ARG 9 3.608 -0.273 -8.875
74 H HIS 10 H HIS 10 2.236 -3.480 -2.274
75 HA HIS 10 HA HIS 10 -0.010 -5.152 -2.351
76 HB2 HIS 10 2HB HIS 10 2.261 -5.853 -3.042
77 HB3 HIS 10 1HB HIS 10 2.767 -5.810 -1.353
78 HD1 HIS 10 1HD HIS 10 0.126 -7.533 -3.507
79 HD2 HIS 10 2HD HIS 10 2.284 -8.176 0.003
80 HE1 HIS 10 1HE HIS 10 -0.452 -9.872 -2.730
81 HE2 HIS 10 2HE HIS 10 0.855 -10.280 -0.591
82 H THR 11 H THR 11 2.032 -4.140 0.374
83 HA THR 11 HA THR 11 0.019 -5.319 2.204
84 HB THR 11 HB THR 11 2.968 -4.855 2.670
85 HG1 THR 11 1HG THR 11 1.896 -7.366 2.869
86 HG21 THR 11 1HG2 THR 11 0.704 -5.785 4.425
87 HG22 THR 11 2HG2 THR 11 2.352 -6.337 4.725
88 HG23 THR 11 3HG2 THR 11 1.976 -4.616 4.783
89 H ILE 12 H ILE 12 2.558 -2.805 2.218
90 HA ILE 12 HA ILE 12 1.646 -1.381 4.369
91 HB ILE 12 HB ILE 12 2.913 -0.234 1.884
92 HG12 ILE 12 2HG1 ILE 12 4.112 -2.147 3.094
93 HG13 ILE 12 1HG1 ILE 12 5.021 -0.655 2.876
94 HG21 ILE 12 1HG2 ILE 12 3.827 1.360 3.738
95 HG22 ILE 12 2HG2 ILE 12 2.267 1.664 2.979
96 HG23 ILE 12 3HG2 ILE 12 2.340 0.910 4.575
97 HD11 ILE 12 1HD1 ILE 12 5.136 -0.253 5.117
98 HD12 ILE 12 2HD1 ILE 12 3.478 -0.762 5.405
99 HD13 ILE 12 3HD1 ILE 12 4.760 -1.964 5.270
100 HA PRO 13 HA PRO 13 -2.247 -0.000 2.501
101 HB2 PRO 13 2HB PRO 13 -3.502 0.785 4.776
102 HB3 PRO 13 1HB PRO 13 -3.357 -0.918 4.301
103 HG2 PRO 13 2HG PRO 13 -1.819 0.620 6.323
104 HG3 PRO 13 1HG PRO 13 -2.372 -1.062 6.358
105 HD2 PRO 13 2HD PRO 13 0.215 -0.276 5.740
106 HD3 PRO 13 1HD PRO 13 -0.499 -1.827 5.261
107 H GLN 14 H GLN 14 -0.064 1.788 4.519
108 HA GLN 14 HA GLN 14 -1.236 4.342 4.367
109 HB2 GLN 14 2HB GLN 14 0.557 3.852 5.936
110 HB3 GLN 14 1HB GLN 14 1.680 3.568 4.605
111 HG2 GLN 14 2HG GLN 14 1.548 5.854 3.902
112 HG3 GLN 14 1HG GLN 14 0.204 6.178 4.994
113 HE21 GLN 14 1HE2 GLN 14 3.593 4.952 5.171
114 HE22 GLN 14 2HE2 GLN 14 3.963 5.776 6.608
115 H CYS 15 H CYS 15 0.882 2.594 2.175
116 HA CYS 15 HA CYS 15 1.531 4.721 0.452
117 HB2 CYS 15 2HB CYS 15 1.387 1.736 0.027
118 HB3 CYS 15 1HB CYS 15 1.953 2.857 -1.215
119 H ARG 16 H ARG 16 -1.468 3.316 1.047
120 HA ARG 16 HA ARG 16 -2.644 3.225 -1.501
121 HB2 ARG 16 2HB ARG 16 -4.758 3.305 -0.373
122 HB3 ARG 16 1HB ARG 16 -3.655 2.406 0.675
123 HG2 ARG 16 2HG ARG 16 -3.202 4.598 1.889
124 HG3 ARG 16 1HG ARG 16 -4.530 5.295 0.968
125 HD2 ARG 16 2HD ARG 16 -6.076 3.612 1.868
126 HD3 ARG 16 1HD ARG 16 -4.760 2.873 2.775
127 HE ARG 16 HE ARG 16 -4.878 4.634 4.305
128 HH11 ARG 16 1HH1 ARG 16 -6.747 5.265 1.464
129 HH12 ARG 16 2HH1 ARG 16 -7.540 6.656 2.128
130 HH21 ARG 16 1HH2 ARG 16 -5.910 6.459 5.181
131 HH22 ARG 16 2HH2 ARG 16 -7.066 7.331 4.231
132 H LYS 17 H LYS 17 -1.986 5.901 0.679
133 HA LYS 17 HA LYS 17 -3.603 7.850 -0.576
134 HB2 LYS 17 2HB LYS 17 -1.079 8.102 1.066
135 HB3 LYS 17 1HB LYS 17 -2.018 9.486 0.509
136 HG2 LYS 17 2HG LYS 17 -4.013 8.599 1.669
137 HG3 LYS 17 1HG LYS 17 -3.064 7.225 2.240
138 HD2 LYS 17 2HD LYS 17 -1.539 8.779 3.423
139 HD3 LYS 17 1HD LYS 17 -2.515 10.141 2.874
140 HE2 LYS 17 2HE LYS 17 -3.534 7.853 4.583
141 HE3 LYS 17 1HE LYS 17 -3.110 9.455 5.184
142 HZ1 LYS 17 1HZ LYS 17 -4.754 10.240 3.372
143 HZ2 LYS 17 2HZ LYS 17 -5.355 8.654 3.460
144 HZ3 LYS 17 3HZ LYS 17 -5.362 9.640 4.840
145 H PHE 18 H PHE 18 -0.272 6.809 -1.133
146 HA PHE 18 HA PHE 18 0.410 8.802 -3.022
147 HB2 PHE 18 2HB PHE 18 1.464 6.054 -2.411
148 HB3 PHE 18 1HB PHE 18 2.084 6.975 -3.781
149 HD1 PHE 18 1HD PHE 18 1.642 6.991 -0.094
150 HD2 PHE 18 2HD PHE 18 3.486 8.886 -3.478
151 HE1 PHE 18 1HE PHE 18 3.069 8.326 1.433
152 HE2 PHE 18 2HE PHE 18 4.911 10.224 -1.953
153 HZ PHE 18 HZ PHE 18 4.698 9.943 0.500
154 H GLY 19 H GLY 19 -1.092 5.618 -3.319
155 HA2 GLY 19 2HA GLY 19 -2.374 6.321 -5.783
156 HA3 GLY 19 1HA GLY 19 -1.039 5.202 -6.043
157 H ARG 20 H ARG 20 -3.602 4.448 -6.691
158 HA ARG 20 HA ARG 20 -4.011 2.222 -4.833
159 HB2 ARG 20 2HB ARG 20 -5.582 3.959 -4.075
160 HB3 ARG 20 1HB ARG 20 -6.253 4.062 -5.703
161 HG2 ARG 20 2HG ARG 20 -7.005 1.751 -5.596
162 HG3 ARG 20 1HG ARG 20 -6.214 1.531 -4.034
163 HD2 ARG 20 2HD ARG 20 -7.691 3.202 -3.023
164 HD3 ARG 20 1HD ARG 20 -8.450 3.504 -4.584
165 HE ARG 20 HE ARG 20 -9.656 1.523 -4.332
166 HH11 ARG 20 1HH1 ARG 20 -7.098 1.765 -2.013
167 HH12 ARG 20 2HH1 ARG 20 -7.629 0.405 -1.080
168 HH21 ARG 20 1HH2 ARG 20 -10.357 -0.261 -3.116
169 HH22 ARG 20 2HH2 ARG 20 -9.474 -0.743 -1.705
170 H ARG 21 H ARG 21 -4.477 0.361 -5.862
171 HA ARG 21 HA ARG 21 -4.594 -1.091 -7.654
172 HB2 ARG 21 2HB ARG 21 -6.877 0.820 -7.941
173 HB3 ARG 21 1HB ARG 21 -6.589 -0.352 -9.225
174 HG2 ARG 21 2HG ARG 21 -6.571 -1.327 -6.396
175 HG3 ARG 21 1HG ARG 21 -8.126 -0.961 -7.142
176 HD2 ARG 21 2HD ARG 21 -7.639 -2.480 -8.990
177 HD3 ARG 21 1HD ARG 21 -6.031 -2.795 -8.342
178 HE ARG 21 HE ARG 21 -7.873 -3.428 -6.333
179 HH11 ARG 21 1HH1 ARG 21 -7.006 -4.419 -9.532
180 HH12 ARG 21 2HH1 ARG 21 -7.482 -6.067 -9.300
181 HH21 ARG 21 1HH2 ARG 21 -8.497 -5.591 -6.019
182 HH22 ARG 21 2HH2 ARG 21 -8.326 -6.730 -7.310
Start of MODEL 3
1 H1 ASN 1 H ASN 1 8.685 10.039 -2.342
2 HA ASN 1 HA ASN 1 6.382 8.627 -2.614
3 HB2 ASN 1 2HB ASN 1 8.299 7.541 -4.680
4 HB3 ASN 1 1HB ASN 1 6.642 7.028 -4.369
5 HD21 ASN 1 1HD2 ASN 1 5.098 9.212 -4.419
6 HD22 ASN 1 2HD2 ASN 1 5.307 10.125 -5.833
7 H LEU 2 H LEU 2 6.690 7.717 -0.676
8 HA LEU 2 HA LEU 2 9.238 6.518 0.047
9 HB2 LEU 2 2HB LEU 2 6.616 6.698 1.555
10 HB3 LEU 2 1HB LEU 2 8.140 6.124 2.228
11 HG LEU 2 HG LEU 2 7.685 8.891 1.063
12 HD11 LEU 2 1HD1 LEU 2 6.525 8.284 3.281
13 HD12 LEU 2 2HD1 LEU 2 8.149 8.188 3.963
14 HD13 LEU 2 3HD1 LEU 2 7.564 9.709 3.286
15 HD21 LEU 2 1HD2 LEU 2 9.911 9.111 2.557
16 HD22 LEU 2 2HD2 LEU 2 10.065 7.415 2.099
17 HD23 LEU 2 3HD2 LEU 2 9.967 8.660 0.854
18 H CYS 3 H CYS 3 6.478 5.528 -1.571
19 HA CYS 3 HA CYS 3 6.062 2.918 -0.585
20 HB2 CYS 3 2HB CYS 3 5.635 4.129 -3.320
21 HB3 CYS 3 1HB CYS 3 5.098 2.508 -2.874
22 H ALA 4 H ALA 4 8.217 4.194 -3.081
23 HA ALA 4 HA ALA 4 9.988 3.280 -4.209
24 HB1 ALA 4 1HB ALA 4 10.135 1.735 -1.615
25 HB2 ALA 4 2HB ALA 4 11.393 1.715 -2.848
26 HB3 ALA 4 3HB ALA 4 10.997 3.220 -2.020
27 H SER 5 H SER 5 9.510 0.262 -2.531
28 HA SER 5 HA SER 5 9.372 -1.204 -4.979
29 HB2 SER 5 2HB SER 5 10.395 -2.186 -2.996
30 HB3 SER 5 1HB SER 5 8.871 -2.068 -2.121
31 HG SER 5 HG SER 5 7.993 -3.581 -3.463
32 H LEU 6 H LEU 6 7.656 -2.158 -5.992
33 HA LEU 6 HA LEU 6 5.104 -0.992 -5.774
34 HB2 LEU 6 2HB LEU 6 4.365 -2.790 -7.278
35 HB3 LEU 6 1HB LEU 6 5.904 -2.112 -7.814
36 HG LEU 6 HG LEU 6 6.707 -4.114 -6.091
37 HD11 LEU 6 1HD1 LEU 6 4.456 -5.245 -7.767
38 HD12 LEU 6 2HD1 LEU 6 5.419 -6.081 -6.551
39 HD13 LEU 6 3HD1 LEU 6 4.263 -4.842 -6.063
40 HD21 LEU 6 1HD2 LEU 6 7.708 -3.646 -8.261
41 HD22 LEU 6 2HD2 LEU 6 7.246 -5.348 -8.209
42 HD23 LEU 6 3HD2 LEU 6 6.248 -4.190 -9.089
43 H ARG 7 H ARG 7 6.593 -3.581 -4.044
44 HA ARG 7 HA ARG 7 4.345 -5.040 -3.203
45 HB2 ARG 7 2HB ARG 7 6.704 -5.761 -2.868
46 HB3 ARG 7 1HB ARG 7 6.874 -4.525 -1.620
47 HG2 ARG 7 2HG ARG 7 5.054 -5.557 -0.331
48 HG3 ARG 7 1HG ARG 7 4.846 -6.779 -1.586
49 HD2 ARG 7 2HD ARG 7 7.378 -6.340 0.027
50 HD3 ARG 7 1HD ARG 7 6.209 -7.628 0.297
51 HE ARG 7 HE ARG 7 6.877 -8.632 -1.755
52 HH11 ARG 7 1HH1 ARG 7 8.679 -5.749 -0.972
53 HH12 ARG 7 2HH1 ARG 7 9.972 -6.119 -2.062
54 HH21 ARG 7 1HH2 ARG 7 8.570 -9.083 -3.170
55 HH22 ARG 7 2HH2 ARG 7 9.910 -7.993 -3.301
56 H ALA 8 H ALA 8 5.579 -1.946 -2.243
57 HA ALA 8 HA ALA 8 4.412 -1.648 0.283
58 HB1 ALA 8 1HB ALA 8 5.111 0.524 0.113
59 HB2 ALA 8 2HB ALA 8 5.996 -0.118 -1.268
60 HB3 ALA 8 3HB ALA 8 4.458 0.705 -1.515
61 H ARG 9 H ARG 9 3.095 -1.133 -2.945
62 HA ARG 9 HA ARG 9 0.674 0.072 -2.180
63 HB2 ARG 9 2HB ARG 9 1.400 -1.610 -4.582
64 HB3 ARG 9 1HB ARG 9 -0.159 -0.800 -4.398
65 HG2 ARG 9 2HG ARG 9 0.976 1.370 -4.180
66 HG3 ARG 9 1HG ARG 9 2.544 0.573 -4.329
67 HD2 ARG 9 2HD ARG 9 1.885 1.504 -6.492
68 HD3 ARG 9 1HD ARG 9 1.888 -0.254 -6.573
69 HE ARG 9 HE ARG 9 -0.428 -0.203 -6.844
70 HH11 ARG 9 1HH1 ARG 9 0.808 2.869 -5.840
71 HH12 ARG 9 2HH1 ARG 9 -0.683 3.709 -6.102
72 HH21 ARG 9 1HH2 ARG 9 -2.387 0.894 -7.193
73 HH22 ARG 9 2HH2 ARG 9 -2.490 2.594 -6.869
74 H HIS 10 H HIS 10 1.773 -2.860 -1.226
75 HA HIS 10 HA HIS 10 -0.971 -3.926 -0.915
76 HB2 HIS 10 2HB HIS 10 0.248 -5.246 -2.586
77 HB3 HIS 10 1HB HIS 10 1.561 -5.491 -1.429
78 HD1 HIS 10 1HD HIS 10 -2.200 -6.141 -1.660
79 HD2 HIS 10 2HD HIS 10 1.205 -7.722 0.155
80 HE1 HIS 10 1HE HIS 10 -2.936 -8.254 -0.472
81 HE2 HIS 10 2HE HIS 10 -0.871 -9.228 0.640
82 H THR 11 H THR 11 2.330 -4.609 0.244
83 HA THR 11 HA THR 11 1.431 -5.407 2.837
84 HB THR 11 HB THR 11 3.840 -5.459 3.393
85 HG1 THR 11 1HG THR 11 5.288 -4.913 1.705
86 HG21 THR 11 1HG2 THR 11 4.448 -7.196 1.794
87 HG22 THR 11 2HG2 THR 11 2.737 -7.345 2.198
88 HG23 THR 11 3HG2 THR 11 3.221 -6.621 0.664
89 H ILE 12 H ILE 12 2.027 -2.388 1.403
90 HA ILE 12 HA ILE 12 2.166 -1.111 4.062
91 HB ILE 12 HB ILE 12 3.242 -0.004 1.471
92 HG12 ILE 12 2HG1 ILE 12 4.431 -2.045 2.557
93 HG13 ILE 12 1HG1 ILE 12 5.393 -0.634 2.123
94 HG21 ILE 12 1HG2 ILE 12 4.435 1.494 3.185
95 HG22 ILE 12 2HG2 ILE 12 2.748 1.838 2.807
96 HG23 ILE 12 3HG2 ILE 12 3.165 0.985 4.296
97 HD11 ILE 12 1HD1 ILE 12 5.641 0.057 4.348
98 HD12 ILE 12 2HD1 ILE 12 4.215 -0.818 4.893
99 HD13 ILE 12 3HD1 ILE 12 5.690 -1.697 4.507
100 HA PRO 13 HA PRO 13 -2.001 -0.110 2.308
101 HB2 PRO 13 2HB PRO 13 -2.314 0.738 5.140
102 HB3 PRO 13 1HB PRO 13 -3.372 -0.279 4.143
103 HG2 PRO 13 2HG PRO 13 -1.832 -1.279 6.063
104 HG3 PRO 13 1HG PRO 13 -2.177 -2.179 4.576
105 HD2 PRO 13 2HD PRO 13 0.324 -0.802 5.425
106 HD3 PRO 13 1HD PRO 13 0.116 -2.232 4.392
107 H GLN 14 H GLN 14 0.255 1.717 4.263
108 HA GLN 14 HA GLN 14 -0.985 4.216 4.196
109 HB2 GLN 14 2HB GLN 14 1.949 3.496 4.253
110 HB3 GLN 14 1HB GLN 14 1.354 5.145 4.422
111 HG2 GLN 14 2HG GLN 14 0.039 4.503 6.384
112 HG3 GLN 14 1HG GLN 14 0.556 2.827 6.203
113 HE21 GLN 14 1HE2 GLN 14 2.570 2.241 7.106
114 HE22 GLN 14 2HE2 GLN 14 3.634 3.347 7.831
115 H CYS 15 H CYS 15 0.779 2.470 1.748
116 HA CYS 15 HA CYS 15 1.317 4.644 0.004
117 HB2 CYS 15 2HB CYS 15 1.194 1.663 -0.326
118 HB3 CYS 15 1HB CYS 15 1.332 2.703 -1.745
119 H ARG 16 H ARG 16 -1.600 3.250 0.922
120 HA ARG 16 HA ARG 16 -3.078 3.272 -1.474
121 HB2 ARG 16 2HB ARG 16 -5.030 3.260 -0.086
122 HB3 ARG 16 1HB ARG 16 -3.800 2.321 0.762
123 HG2 ARG 16 2HG ARG 16 -3.190 4.500 1.973
124 HG3 ARG 16 1HG ARG 16 -4.693 5.154 1.329
125 HD2 ARG 16 2HD ARG 16 -4.495 2.628 2.989
126 HD3 ARG 16 1HD ARG 16 -4.969 4.204 3.615
127 HE ARG 16 HE ARG 16 -6.654 3.698 1.470
128 HH11 ARG 16 1HH1 ARG 16 -5.819 2.246 4.497
129 HH12 ARG 16 2HH1 ARG 16 -7.381 1.541 4.746
130 HH21 ARG 16 1HH2 ARG 16 -8.704 2.778 1.789
131 HH22 ARG 16 2HH2 ARG 16 -9.015 1.843 3.214
132 H LYS 17 H LYS 17 -2.095 5.837 0.711
133 HA LYS 17 HA LYS 17 -3.883 7.834 -0.210
134 HB2 LYS 17 2HB LYS 17 -1.155 8.007 1.079
135 HB3 LYS 17 1HB LYS 17 -2.150 9.418 0.722
136 HG2 LYS 17 2HG LYS 17 -4.008 8.318 2.058
137 HG3 LYS 17 1HG LYS 17 -2.821 7.121 2.577
138 HD2 LYS 17 2HD LYS 17 -2.562 10.120 2.964
139 HD3 LYS 17 1HD LYS 17 -3.041 8.974 4.217
140 HE2 LYS 17 2HE LYS 17 -0.785 9.039 4.664
141 HE3 LYS 17 1HE LYS 17 -0.762 7.784 3.425
142 HZ1 LYS 17 1HZ LYS 17 0.005 9.231 1.838
143 HZ2 LYS 17 2HZ LYS 17 -0.583 10.611 2.637
144 HZ3 LYS 17 3HZ LYS 17 0.799 9.819 3.220
145 H PHE 18 H PHE 18 -0.647 6.845 -1.260
146 HA PHE 18 HA PHE 18 -0.262 8.927 -3.143
147 HB2 PHE 18 2HB PHE 18 0.940 6.202 -2.757
148 HB3 PHE 18 1HB PHE 18 1.336 7.161 -4.185
149 HD1 PHE 18 1HD PHE 18 1.461 7.070 -0.478
150 HD2 PHE 18 2HD PHE 18 2.672 9.148 -4.036
151 HE1 PHE 18 1HE PHE 18 3.050 8.428 0.855
152 HE2 PHE 18 2HE PHE 18 4.262 10.505 -2.704
153 HZ PHE 18 HZ PHE 18 4.447 10.146 -0.260
154 H GLY 19 H GLY 19 -1.698 5.703 -3.380
155 HA2 GLY 19 2HA GLY 19 -2.692 6.415 -6.083
156 HA3 GLY 19 1HA GLY 19 -2.160 4.789 -5.670
157 H ARG 20 H ARG 20 -4.845 6.466 -6.244
158 HA ARG 20 HA ARG 20 -6.453 5.320 -4.068
159 HB2 ARG 20 2HB ARG 20 -6.812 7.692 -4.657
160 HB3 ARG 20 1HB ARG 20 -7.251 7.209 -6.296
161 HG2 ARG 20 2HG ARG 20 -9.151 5.930 -5.459
162 HG3 ARG 20 1HG ARG 20 -8.680 6.269 -3.791
163 HD2 ARG 20 2HD ARG 20 -9.001 8.682 -4.192
164 HD3 ARG 20 1HD ARG 20 -9.479 8.344 -5.854
165 HE ARG 20 HE ARG 20 -11.078 7.894 -3.460
166 HH11 ARG 20 1HH1 ARG 20 -10.566 7.278 -6.829
167 HH12 ARG 20 2HH1 ARG 20 -12.210 6.827 -7.135
168 HH21 ARG 20 1HH2 ARG 20 -13.229 7.297 -3.856
169 HH22 ARG 20 2HH2 ARG 20 -13.716 6.836 -5.453
170 H ARG 21 H ARG 21 -7.576 3.509 -4.334
171 HA ARG 21 HA ARG 21 -8.146 2.575 -7.087
172 HB2 ARG 21 2HB ARG 21 -7.417 0.893 -4.676
173 HB3 ARG 21 1HB ARG 21 -7.837 0.275 -6.274
174 HG2 ARG 21 2HG ARG 21 -5.916 1.454 -7.253
175 HG3 ARG 21 1HG ARG 21 -5.503 2.114 -5.671
176 HD2 ARG 21 2HD ARG 21 -4.099 0.188 -6.046
177 HD3 ARG 21 1HD ARG 21 -5.290 -0.247 -4.824
178 HE ARG 21 HE ARG 21 -6.282 -0.938 -7.382
179 HH11 ARG 21 1HH1 ARG 21 -3.857 -1.797 -5.070
180 HH12 ARG 21 2HH1 ARG 21 -3.800 -3.462 -5.544
181 HH21 ARG 21 1HH2 ARG 21 -6.213 -3.120 -8.009
182 HH22 ARG 21 2HH2 ARG 21 -5.133 -4.212 -7.208
Start of MODEL 4
1 H1 ASN 1 H ASN 1 12.635 1.242 2.942
2 HA ASN 1 HA ASN 1 11.905 2.161 0.920
3 HB2 ASN 1 2HB ASN 1 10.174 -0.108 0.319
4 HB3 ASN 1 1HB ASN 1 11.671 0.401 -0.461
5 HD21 ASN 1 1HD2 ASN 1 13.505 -0.864 -0.050
6 HD22 ASN 1 2HD2 ASN 1 13.603 -2.041 1.169
7 H LEU 2 H LEU 2 10.509 3.800 0.722
8 HA LEU 2 HA LEU 2 7.744 3.427 1.671
9 HB2 LEU 2 2HB LEU 2 8.983 5.338 2.625
10 HB3 LEU 2 1HB LEU 2 9.258 5.966 1.003
11 HG LEU 2 HG LEU 2 6.810 6.180 0.670
12 HD11 LEU 2 1HD1 LEU 2 5.559 6.027 3.022
13 HD12 LEU 2 2HD1 LEU 2 5.710 4.619 1.971
14 HD13 LEU 2 3HD1 LEU 2 6.810 4.826 3.334
15 HD21 LEU 2 1HD2 LEU 2 7.680 7.467 3.269
16 HD22 LEU 2 2HD2 LEU 2 8.190 8.033 1.677
17 HD23 LEU 2 3HD2 LEU 2 6.485 8.080 2.128
18 H CYS 3 H CYS 3 6.394 2.791 0.127
19 HA CYS 3 HA CYS 3 5.417 2.517 -1.943
20 HB2 CYS 3 2HB CYS 3 6.082 5.435 -2.323
21 HB3 CYS 3 1HB CYS 3 4.690 4.546 -2.941
22 H ALA 4 H ALA 4 8.569 2.684 -1.671
23 HA ALA 4 HA ALA 4 9.569 3.508 -4.178
24 HB1 ALA 4 1HB ALA 4 10.681 2.663 -1.821
25 HB2 ALA 4 2HB ALA 4 11.006 1.295 -2.886
26 HB3 ALA 4 3HB ALA 4 11.572 2.907 -3.323
27 H SER 5 H SER 5 8.417 0.390 -2.982
28 HA SER 5 HA SER 5 8.525 -0.650 -5.754
29 HB2 SER 5 2HB SER 5 8.832 -2.168 -3.154
30 HB3 SER 5 1HB SER 5 8.771 -2.899 -4.755
31 HG SER 5 HG SER 5 10.796 -2.420 -4.957
32 H LEU 6 H LEU 6 6.801 -1.957 -6.438
33 HA LEU 6 HA LEU 6 4.238 -1.149 -5.735
34 HB2 LEU 6 2HB LEU 6 3.465 -3.187 -6.936
35 HB3 LEU 6 1HB LEU 6 4.672 -2.281 -7.837
36 HG LEU 6 HG LEU 6 6.160 -4.038 -6.243
37 HD11 LEU 6 1HD1 LEU 6 5.206 -6.236 -6.950
38 HD12 LEU 6 2HD1 LEU 6 4.198 -5.388 -5.782
39 HD13 LEU 6 3HD1 LEU 6 3.757 -5.404 -7.491
40 HD21 LEU 6 1HD2 LEU 6 5.333 -4.160 -9.157
41 HD22 LEU 6 2HD2 LEU 6 6.748 -3.337 -8.500
42 HD23 LEU 6 3HD2 LEU 6 6.653 -5.098 -8.456
43 H ARG 7 H ARG 7 6.327 -3.348 -4.139
44 HA ARG 7 HA ARG 7 4.503 -5.062 -2.868
45 HB2 ARG 7 2HB ARG 7 6.984 -5.344 -2.868
46 HB3 ARG 7 1HB ARG 7 7.095 -4.007 -1.718
47 HG2 ARG 7 2HG ARG 7 5.724 -5.233 -0.108
48 HG3 ARG 7 1HG ARG 7 5.503 -6.547 -1.261
49 HD2 ARG 7 2HD ARG 7 8.195 -5.644 -0.204
50 HD3 ARG 7 1HD ARG 7 7.286 -7.010 0.438
51 HE ARG 7 HE ARG 7 7.508 -7.465 -2.290
52 HH11 ARG 7 1HH1 ARG 7 9.608 -6.959 0.413
53 HH12 ARG 7 2HH1 ARG 7 10.886 -7.943 -0.217
54 HH21 ARG 7 1HH2 ARG 7 9.179 -8.765 -3.121
55 HH22 ARG 7 2HH2 ARG 7 10.644 -8.965 -2.217
56 H ALA 8 H ALA 8 5.463 -1.766 -2.189
57 HA ALA 8 HA ALA 8 4.540 -1.505 0.441
58 HB1 ALA 8 1HB ALA 8 5.287 0.582 0.106
59 HB2 ALA 8 2HB ALA 8 5.519 0.197 -1.594
60 HB3 ALA 8 3HB ALA 8 3.991 0.881 -1.050
61 H ARG 9 H ARG 9 2.845 -1.234 -2.641
62 HA ARG 9 HA ARG 9 0.412 -0.223 -1.720
63 HB2 ARG 9 2HB ARG 9 0.995 -2.133 -3.998
64 HB3 ARG 9 1HB ARG 9 -0.569 -1.360 -3.733
65 HG2 ARG 9 2HG ARG 9 0.399 0.842 -3.989
66 HG3 ARG 9 1HG ARG 9 2.028 0.169 -4.039
67 HD2 ARG 9 2HD ARG 9 1.290 0.671 -6.309
68 HD3 ARG 9 1HD ARG 9 1.428 -1.071 -6.105
69 HE ARG 9 HE ARG 9 -1.225 -0.185 -5.529
70 HH11 ARG 9 1HH1 ARG 9 1.032 -0.810 -8.079
71 HH12 ARG 9 2HH1 ARG 9 -0.186 -1.172 -9.256
72 HH21 ARG 9 1HH2 ARG 9 -2.829 -0.658 -7.070
73 HH22 ARG 9 2HH2 ARG 9 -2.370 -1.086 -8.685
74 H HIS 10 H HIS 10 1.870 -3.278 -1.165
75 HA HIS 10 HA HIS 10 -0.698 -4.496 -0.387
76 HB2 HIS 10 2HB HIS 10 0.907 -5.728 -1.907
77 HB3 HIS 10 1HB HIS 10 2.015 -5.815 -0.534
78 HD1 HIS 10 1HD HIS 10 1.141 -7.146 1.600
79 HD2 HIS 10 2HD HIS 10 -1.216 -7.561 -1.813
80 HE1 HIS 10 1HE HIS 10 -0.385 -9.124 2.020
81 HE2 HIS 10 2HE HIS 10 -1.828 -9.390 -0.053
82 H THR 11 H THR 11 2.651 -4.561 0.848
83 HA THR 11 HA THR 11 1.779 -5.046 3.542
84 HB THR 11 HB THR 11 4.166 -4.873 4.101
85 HG1 THR 11 1HG THR 11 5.574 -4.522 2.255
86 HG21 THR 11 1HG2 THR 11 3.590 -7.027 3.375
87 HG22 THR 11 2HG2 THR 11 3.304 -6.491 1.718
88 HG23 THR 11 3HG2 THR 11 4.952 -6.609 2.335
89 H ILE 12 H ILE 12 2.252 -2.249 1.638
90 HA ILE 12 HA ILE 12 2.193 -0.577 4.064
91 HB ILE 12 HB ILE 12 3.394 0.253 1.435
92 HG12 ILE 12 2HG1 ILE 12 4.567 -1.694 2.736
93 HG13 ILE 12 1HG1 ILE 12 5.529 -0.315 2.227
94 HG21 ILE 12 1HG2 ILE 12 4.493 1.919 3.020
95 HG22 ILE 12 2HG2 ILE 12 2.791 2.171 2.640
96 HG23 ILE 12 3HG2 ILE 12 3.257 1.455 4.185
97 HD11 ILE 12 1HD1 ILE 12 5.648 0.570 4.402
98 HD12 ILE 12 2HD1 ILE 12 4.230 -0.307 4.947
99 HD13 ILE 12 3HD1 ILE 12 5.745 -1.164 4.693
100 HA PRO 13 HA PRO 13 -1.748 0.005 1.680
101 HB2 PRO 13 2HB PRO 13 -3.197 0.736 3.928
102 HB3 PRO 13 1HB PRO 13 -3.034 -0.925 3.331
103 HG2 PRO 13 2HG PRO 13 -1.561 0.449 5.523
104 HG3 PRO 13 1HG PRO 13 -2.185 -1.209 5.445
105 HD2 PRO 13 2HD PRO 13 0.406 -0.675 5.090
106 HD3 PRO 13 1HD PRO 13 -0.387 -1.972 4.174
107 H GLN 14 H GLN 14 0.110 2.018 3.797
108 HA GLN 14 HA GLN 14 -1.341 4.418 3.503
109 HB2 GLN 14 2HB GLN 14 1.584 3.886 4.048
110 HB3 GLN 14 1HB GLN 14 0.869 5.501 4.075
111 HG2 GLN 14 2HG GLN 14 -0.733 4.762 5.801
112 HG3 GLN 14 1HG GLN 14 -0.010 3.155 5.783
113 HE21 GLN 14 1HE2 GLN 14 1.328 2.920 7.574
114 HE22 GLN 14 2HE2 GLN 14 2.355 4.124 8.186
115 H CYS 15 H CYS 15 1.104 2.854 1.533
116 HA CYS 15 HA CYS 15 1.647 4.995 -0.219
117 HB2 CYS 15 2HB CYS 15 1.895 2.003 -0.507
118 HB3 CYS 15 1HB CYS 15 2.370 3.117 -1.790
119 H ARG 16 H ARG 16 -0.779 2.425 -0.285
120 HA ARG 16 HA ARG 16 -1.736 2.976 -2.878
121 HB2 ARG 16 2HB ARG 16 -3.245 1.321 -2.465
122 HB3 ARG 16 1HB ARG 16 -2.218 1.032 -1.058
123 HG2 ARG 16 2HG ARG 16 -3.701 2.618 0.224
124 HG3 ARG 16 1HG ARG 16 -4.803 2.618 -1.137
125 HD2 ARG 16 2HD ARG 16 -3.909 0.152 0.371
126 HD3 ARG 16 1HD ARG 16 -5.455 0.966 0.595
127 HE ARG 16 HE ARG 16 -4.671 -0.685 -1.671
128 HH11 ARG 16 1HH1 ARG 16 -6.821 1.687 -0.346
129 HH12 ARG 16 2HH1 ARG 16 -8.110 1.332 -1.448
130 HH21 ARG 16 1HH2 ARG 16 -6.356 -1.151 -3.115
131 HH22 ARG 16 2HH2 ARG 16 -7.846 -0.273 -3.014
132 H LYS 17 H LYS 17 -2.529 4.271 0.304
133 HA LYS 17 HA LYS 17 -4.845 5.706 -0.442
134 HB2 LYS 17 2HB LYS 17 -2.821 6.160 1.755
135 HB3 LYS 17 1HB LYS 17 -4.294 7.116 1.585
136 HG2 LYS 17 2HG LYS 17 -5.649 5.054 1.725
137 HG3 LYS 17 1HG LYS 17 -4.178 4.104 1.906
138 HD2 LYS 17 2HD LYS 17 -3.621 5.341 3.967
139 HD3 LYS 17 1HD LYS 17 -5.102 6.284 3.797
140 HE2 LYS 17 2HE LYS 17 -4.994 3.265 4.082
141 HE3 LYS 17 1HE LYS 17 -5.376 4.389 5.387
142 HZ1 LYS 17 1HZ LYS 17 -7.015 5.132 3.329
143 HZ2 LYS 17 2HZ LYS 17 -7.041 3.433 3.279
144 HZ3 LYS 17 3HZ LYS 17 -7.469 4.244 4.706
145 H PHE 18 H PHE 18 -1.423 6.625 -0.415
146 HA PHE 18 HA PHE 18 -1.864 9.329 -1.196
147 HB2 PHE 18 2HB PHE 18 0.529 7.512 -1.190
148 HB3 PHE 18 1HB PHE 18 0.613 9.118 -1.914
149 HD1 PHE 18 1HD PHE 18 1.018 7.315 1.092
150 HD2 PHE 18 2HD PHE 18 -0.460 11.050 -0.432
151 HE1 PHE 18 1HE PHE 18 1.270 8.334 3.339
152 HE2 PHE 18 2HE PHE 18 -0.208 12.068 1.814
153 HZ PHE 18 HZ PHE 18 0.655 10.709 3.695
154 H GLY 19 H GLY 19 -1.213 6.336 -2.967
155 HA2 GLY 19 2HA GLY 19 -1.919 5.851 -5.154
156 HA3 GLY 19 1HA GLY 19 -2.248 7.563 -5.406
157 H ARG 20 H ARG 20 -0.899 6.053 -7.305
158 HA ARG 20 HA ARG 20 1.741 7.355 -7.257
159 HB2 ARG 20 2HB ARG 20 1.196 4.465 -7.959
160 HB3 ARG 20 1HB ARG 20 2.713 5.297 -8.301
161 HG2 ARG 20 2HG ARG 20 3.050 5.734 -5.921
162 HG3 ARG 20 1HG ARG 20 1.485 5.010 -5.542
163 HD2 ARG 20 2HD ARG 20 3.221 3.364 -5.123
164 HD3 ARG 20 1HD ARG 20 2.293 2.862 -6.532
165 HE ARG 20 HE ARG 20 4.526 4.408 -7.357
166 HH11 ARG 20 1HH1 ARG 20 3.643 1.339 -6.024
167 HH12 ARG 20 2HH1 ARG 20 4.998 0.499 -6.700
168 HH21 ARG 20 1HH2 ARG 20 6.309 3.313 -8.244
169 HH22 ARG 20 2HH2 ARG 20 6.508 1.617 -7.957
170 H ARG 21 H ARG 21 2.508 8.013 -9.254
171 HA ARG 21 HA ARG 21 2.129 9.036 -11.305
172 HB2 ARG 21 2HB ARG 21 3.015 6.731 -11.784
173 HB3 ARG 21 1HB ARG 21 1.348 6.205 -12.031
174 HG2 ARG 21 2HG ARG 21 1.096 7.977 -13.778
175 HG3 ARG 21 1HG ARG 21 2.806 8.363 -13.584
176 HD2 ARG 21 2HD ARG 21 2.614 6.853 -15.453
177 HD3 ARG 21 1HD ARG 21 3.328 5.956 -14.116
178 HE ARG 21 HE ARG 21 0.489 5.682 -14.115
179 HH11 ARG 21 1HH1 ARG 21 3.390 4.694 -15.720
180 HH12 ARG 21 2HH1 ARG 21 2.746 3.175 -16.246
181 HH21 ARG 21 1HH2 ARG 21 -0.364 3.691 -14.802
182 HH22 ARG 21 2HH2 ARG 21 0.621 2.607 -15.726
Start of MODEL 5
1 H1 ASN 1 H ASN 1 11.667 3.343 2.889
2 HA ASN 1 HA ASN 1 10.271 4.290 4.680
3 HB2 ASN 1 2HB ASN 1 12.553 6.041 4.750
4 HB3 ASN 1 1HB ASN 1 11.080 6.996 4.597
5 HD21 ASN 1 1HD2 ASN 1 10.993 7.739 6.791
6 HD22 ASN 1 2HD2 ASN 1 10.760 6.689 8.103
7 H LEU 2 H LEU 2 11.297 5.238 1.561
8 HA LEU 2 HA LEU 2 8.858 6.814 1.091
9 HB2 LEU 2 2HB LEU 2 11.525 6.622 -0.201
10 HB3 LEU 2 1HB LEU 2 10.151 6.947 -1.258
11 HG LEU 2 HG LEU 2 9.500 8.858 0.135
12 HD11 LEU 2 1HD1 LEU 2 10.128 8.360 2.328
13 HD12 LEU 2 2HD1 LEU 2 11.730 7.802 1.848
14 HD13 LEU 2 3HD1 LEU 2 11.366 9.528 1.870
15 HD21 LEU 2 1HD2 LEU 2 11.284 10.336 -0.487
16 HD22 LEU 2 2HD2 LEU 2 12.472 9.034 -0.422
17 HD23 LEU 2 3HD2 LEU 2 11.260 9.059 -1.702
18 H CYS 3 H CYS 3 7.146 5.895 0.177
19 HA CYS 3 HA CYS 3 7.159 3.173 -0.681
20 HB2 CYS 3 2HB CYS 3 5.171 4.208 0.314
21 HB3 CYS 3 1HB CYS 3 5.060 5.321 -1.050
22 H ALA 4 H ALA 4 7.529 2.339 -2.639
23 HA ALA 4 HA ALA 4 6.909 3.608 -5.092
24 HB1 ALA 4 1HB ALA 4 9.266 4.585 -3.972
25 HB2 ALA 4 2HB ALA 4 9.804 3.389 -5.152
26 HB3 ALA 4 3HB ALA 4 8.771 4.727 -5.660
27 H SER 5 H SER 5 6.887 1.019 -3.575
28 HA SER 5 HA SER 5 7.843 -0.645 -5.797
29 HB2 SER 5 2HB SER 5 9.635 -0.726 -4.130
30 HB3 SER 5 1HB SER 5 8.472 -1.169 -2.883
31 HG SER 5 HG SER 5 8.845 -2.651 -5.272
32 H LEU 6 H LEU 6 6.658 -2.521 -6.121
33 HA LEU 6 HA LEU 6 3.965 -2.549 -5.513
34 HB2 LEU 6 2HB LEU 6 3.996 -4.934 -6.165
35 HB3 LEU 6 1HB LEU 6 4.943 -3.945 -7.276
36 HG LEU 6 HG LEU 6 6.801 -4.628 -5.347
37 HD11 LEU 6 1HD1 LEU 6 5.133 -7.087 -5.943
38 HD12 LEU 6 2HD1 LEU 6 6.580 -7.003 -4.939
39 HD13 LEU 6 3HD1 LEU 6 5.092 -6.221 -4.408
40 HD21 LEU 6 1HD2 LEU 6 6.114 -6.020 -7.956
41 HD22 LEU 6 2HD2 LEU 6 7.186 -4.634 -7.760
42 HD23 LEU 6 3HD2 LEU 6 7.644 -6.203 -7.097
43 H ARG 7 H ARG 7 6.666 -3.766 -3.645
44 HA ARG 7 HA ARG 7 5.288 -5.420 -1.848
45 HB2 ARG 7 2HB ARG 7 7.773 -5.257 -2.018
46 HB3 ARG 7 1HB ARG 7 7.685 -3.668 -1.254
47 HG2 ARG 7 2HG ARG 7 6.717 -4.629 0.756
48 HG3 ARG 7 1HG ARG 7 6.633 -6.220 -0.001
49 HD2 ARG 7 2HD ARG 7 9.202 -4.678 0.461
50 HD3 ARG 7 1HD ARG 7 8.608 -5.959 1.514
51 HE ARG 7 HE ARG 7 8.690 -7.020 -1.063
52 HH11 ARG 7 1HH1 ARG 7 10.848 -5.653 1.272
53 HH12 ARG 7 2HH1 ARG 7 12.215 -6.585 0.758
54 HH21 ARG 7 1HH2 ARG 7 10.478 -8.248 -1.740
55 HH22 ARG 7 2HH2 ARG 7 12.006 -8.055 -0.945
56 H ALA 8 H ALA 8 5.966 -1.928 -1.739
57 HA ALA 8 HA ALA 8 4.785 -1.433 0.782
58 HB1 ALA 8 1HB ALA 8 4.958 0.452 -1.574
59 HB2 ALA 8 2HB ALA 8 4.783 0.897 0.125
60 HB3 ALA 8 3HB ALA 8 6.275 0.149 -0.441
61 H ARG 9 H ARG 9 3.486 -1.260 -2.503
62 HA ARG 9 HA ARG 9 0.916 -0.355 -1.801
63 HB2 ARG 9 2HB ARG 9 1.879 -2.015 -4.137
64 HB3 ARG 9 1HB ARG 9 0.215 -1.451 -3.984
65 HG2 ARG 9 2HG ARG 9 1.119 0.898 -3.741
66 HG3 ARG 9 1HG ARG 9 2.713 0.257 -4.138
67 HD2 ARG 9 2HD ARG 9 0.280 -0.089 -5.903
68 HD3 ARG 9 1HD ARG 9 1.455 1.204 -6.108
69 HE ARG 9 HE ARG 9 1.855 -1.619 -6.711
70 HH11 ARG 9 1HH1 ARG 9 3.221 1.517 -6.168
71 HH12 ARG 9 2HH1 ARG 9 4.690 1.175 -7.016
72 HH21 ARG 9 1HH2 ARG 9 3.786 -2.071 -7.824
73 HH22 ARG 9 2HH2 ARG 9 5.012 -0.853 -7.951
74 H HIS 10 H HIS 10 2.388 -3.466 -1.462
75 HA HIS 10 HA HIS 10 -0.207 -4.760 -0.991
76 HB2 HIS 10 2HB HIS 10 1.419 -5.926 -2.406
77 HB3 HIS 10 1HB HIS 10 2.590 -5.890 -1.082
78 HD1 HIS 10 1HD HIS 10 -0.940 -7.196 -1.751
79 HD2 HIS 10 2HD HIS 10 2.376 -8.059 0.624
80 HE1 HIS 10 1HE HIS 10 -1.484 -9.337 -0.512
81 HE2 HIS 10 2HE HIS 10 0.528 -9.877 0.940
82 H THR 11 H THR 11 2.989 -4.789 0.594
83 HA THR 11 HA THR 11 1.925 -5.585 3.125
84 HB THR 11 HB THR 11 4.201 -5.212 3.953
85 HG1 THR 11 1HG THR 11 5.401 -3.814 2.982
86 HG21 THR 11 1HG2 THR 11 4.207 -6.464 1.199
87 HG22 THR 11 2HG2 THR 11 5.336 -6.805 2.508
88 HG23 THR 11 3HG2 THR 11 3.641 -7.268 2.663
89 H ILE 12 H ILE 12 2.429 -2.533 1.555
90 HA ILE 12 HA ILE 12 1.806 -1.151 4.089
91 HB ILE 12 HB ILE 12 3.305 0.071 1.782
92 HG12 ILE 12 2HG1 ILE 12 4.459 -1.915 2.985
93 HG13 ILE 12 1HG1 ILE 12 5.331 -0.400 2.837
94 HG21 ILE 12 1HG2 ILE 12 4.007 1.605 3.686
95 HG22 ILE 12 2HG2 ILE 12 2.355 1.772 3.092
96 HG23 ILE 12 3HG2 ILE 12 2.666 0.909 4.595
97 HD11 ILE 12 1HD1 ILE 12 4.985 0.158 5.116
98 HD12 ILE 12 2HD1 ILE 12 3.664 -0.984 5.300
99 HD13 ILE 12 3HD1 ILE 12 5.314 -1.573 5.160
100 HA PRO 13 HA PRO 13 -1.746 -0.605 1.157
101 HB2 PRO 13 2HB PRO 13 -3.614 -0.431 3.204
102 HB3 PRO 13 1HB PRO 13 -3.146 -1.937 2.395
103 HG2 PRO 13 2HG PRO 13 -2.234 -0.821 4.998
104 HG3 PRO 13 1HG PRO 13 -2.610 -2.495 4.554
105 HD2 PRO 13 2HD PRO 13 -0.097 -1.627 4.761
106 HD3 PRO 13 1HD PRO 13 -0.554 -2.836 3.545
107 H GLN 14 H GLN 14 -0.480 1.169 3.833
108 HA GLN 14 HA GLN 14 -2.141 3.452 3.749
109 HB2 GLN 14 2HB GLN 14 0.733 3.080 4.610
110 HB3 GLN 14 1HB GLN 14 -0.150 4.595 4.804
111 HG2 GLN 14 2HG GLN 14 -1.869 3.425 6.137
112 HG3 GLN 14 1HG GLN 14 -0.982 1.913 5.950
113 HE21 GLN 14 1HE2 GLN 14 -0.091 1.519 7.994
114 HE22 GLN 14 2HE2 GLN 14 0.812 2.651 8.881
115 H CYS 15 H CYS 15 0.483 2.359 1.755
116 HA CYS 15 HA CYS 15 1.266 4.774 0.564
117 HB2 CYS 15 2HB CYS 15 2.441 2.563 0.332
118 HB3 CYS 15 1HB CYS 15 1.171 2.082 -0.798
119 H ARG 16 H ARG 16 -1.649 3.011 0.309
120 HA ARG 16 HA ARG 16 -2.488 3.518 -2.290
121 HB2 ARG 16 2HB ARG 16 -4.726 3.192 -1.481
122 HB3 ARG 16 1HB ARG 16 -3.668 2.129 -0.548
123 HG2 ARG 16 2HG ARG 16 -3.555 3.949 1.217
124 HG3 ARG 16 1HG ARG 16 -4.825 4.793 0.330
125 HD2 ARG 16 2HD ARG 16 -6.302 2.843 0.558
126 HD3 ARG 16 1HD ARG 16 -5.041 1.983 1.437
127 HE ARG 16 HE ARG 16 -5.498 3.306 3.312
128 HH11 ARG 16 1HH1 ARG 16 -7.110 4.470 0.479
129 HH12 ARG 16 2HH1 ARG 16 -8.116 5.586 1.341
130 HH21 ARG 16 1HH2 ARG 16 -6.813 4.767 4.449
131 HH22 ARG 16 2HH2 ARG 16 -7.948 5.754 3.588
132 H LYS 17 H LYS 17 -2.330 5.656 0.490
133 HA LYS 17 HA LYS 17 -4.003 7.721 -0.456
134 HB2 LYS 17 2HB LYS 17 -1.627 7.755 1.413
135 HB3 LYS 17 1HB LYS 17 -2.635 9.169 1.100
136 HG2 LYS 17 2HG LYS 17 -4.624 7.910 1.841
137 HG3 LYS 17 1HG LYS 17 -3.610 6.508 2.176
138 HD2 LYS 17 2HD LYS 17 -2.316 7.841 3.811
139 HD3 LYS 17 1HD LYS 17 -3.358 9.227 3.495
140 HE2 LYS 17 2HE LYS 17 -4.308 6.545 4.545
141 HE3 LYS 17 1HE LYS 17 -4.058 7.987 5.529
142 HZ1 LYS 17 1HZ LYS 17 -6.395 7.426 4.537
143 HZ2 LYS 17 2HZ LYS 17 -5.854 9.033 4.628
144 HZ3 LYS 17 3HZ LYS 17 -5.770 8.193 3.160
145 H PHE 18 H PHE 18 -0.538 7.088 -0.882
146 HA PHE 18 HA PHE 18 0.040 9.493 -2.283
147 HB2 PHE 18 2HB PHE 18 1.425 6.827 -2.080
148 HB3 PHE 18 1HB PHE 18 2.046 8.119 -3.107
149 HD1 PHE 18 1HD PHE 18 1.289 7.120 0.370
150 HD2 PHE 18 2HD PHE 18 2.982 10.140 -2.172
151 HE1 PHE 18 1HE PHE 18 2.301 8.220 2.347
152 HE2 PHE 18 2HE PHE 18 3.994 11.239 -0.193
153 HZ PHE 18 HZ PHE 18 3.649 10.278 2.061
154 H GLY 19 H GLY 19 -0.863 6.229 -3.312
155 HA2 GLY 19 2HA GLY 19 -0.544 6.590 -6.093
156 HA3 GLY 19 1HA GLY 19 -1.582 5.390 -5.332
157 H ARG 20 H ARG 20 -3.315 7.122 -3.949
158 HA ARG 20 HA ARG 20 -4.790 8.324 -6.210
159 HB2 ARG 20 2HB ARG 20 -5.640 6.382 -4.504
160 HB3 ARG 20 1HB ARG 20 -6.214 7.827 -3.672
161 HG2 ARG 20 2HG ARG 20 -7.238 8.586 -5.845
162 HG3 ARG 20 1HG ARG 20 -6.796 7.025 -6.536
163 HD2 ARG 20 2HD ARG 20 -8.136 5.880 -4.815
164 HD3 ARG 20 1HD ARG 20 -8.576 7.435 -4.118
165 HE ARG 20 HE ARG 20 -10.054 7.772 -5.900
166 HH11 ARG 20 1HH1 ARG 20 -7.991 5.043 -6.416
167 HH12 ARG 20 2HH1 ARG 20 -8.879 4.453 -7.781
168 HH21 ARG 20 1HH2 ARG 20 -11.226 7.004 -7.693
169 HH22 ARG 20 2HH2 ARG 20 -10.710 5.564 -8.504
170 H ARG 21 H ARG 21 -6.632 9.766 -4.661
171 HA ARG 21 HA ARG 21 -5.492 12.251 -4.423
172 HB2 ARG 21 2HB ARG 21 -7.775 11.137 -2.775
173 HB3 ARG 21 1HB ARG 21 -7.414 12.849 -3.002
174 HG2 ARG 21 2HG ARG 21 -7.784 12.651 -5.406
175 HG3 ARG 21 1HG ARG 21 -8.033 10.911 -5.251
176 HD2 ARG 21 2HD ARG 21 -10.205 11.986 -5.367
177 HD3 ARG 21 1HD ARG 21 -9.968 11.378 -3.732
178 HE ARG 21 HE ARG 21 -9.093 14.089 -3.956
179 HH11 ARG 21 1HH1 ARG 21 -11.877 12.044 -3.742
180 HH12 ARG 21 2HH1 ARG 21 -12.878 13.252 -3.008
181 HH21 ARG 21 1HH2 ARG 21 -10.400 15.678 -2.995
182 HH22 ARG 21 2HH2 ARG 21 -12.042 15.308 -2.584
Start of MODEL 6
1 H1 ASN 1 H ASN 1 9.335 7.970 6.106
2 HA ASN 1 HA ASN 1 7.818 5.524 6.022
3 HB2 ASN 1 2HB ASN 1 6.406 8.175 5.716
4 HB3 ASN 1 1HB ASN 1 5.758 6.668 5.071
5 HD21 ASN 1 1HD2 ASN 1 4.438 8.172 7.162
6 HD22 ASN 1 2HD2 ASN 1 4.459 7.222 8.568
7 H LEU 2 H LEU 2 8.919 4.728 4.323
8 HA LEU 2 HA LEU 2 9.193 6.420 1.912
9 HB2 LEU 2 2HB LEU 2 10.747 3.944 2.703
10 HB3 LEU 2 1HB LEU 2 11.039 4.941 1.279
11 HG LEU 2 HG LEU 2 11.224 5.895 4.154
12 HD11 LEU 2 1HD1 LEU 2 13.356 5.186 4.131
13 HD12 LEU 2 2HD1 LEU 2 13.066 4.430 2.563
14 HD13 LEU 2 3HD1 LEU 2 13.664 6.088 2.647
15 HD21 LEU 2 1HD2 LEU 2 10.735 7.843 2.997
16 HD22 LEU 2 2HD2 LEU 2 12.482 7.793 2.771
17 HD23 LEU 2 3HD2 LEU 2 11.409 7.240 1.484
18 H CYS 3 H CYS 3 8.195 5.828 0.078
19 HA CYS 3 HA CYS 3 7.243 3.073 -0.247
20 HB2 CYS 3 2HB CYS 3 5.404 4.339 0.857
21 HB3 CYS 3 1HB CYS 3 5.412 5.472 -0.496
22 H ALA 4 H ALA 4 7.556 2.402 -2.280
23 HA ALA 4 HA ALA 4 7.101 3.910 -4.608
24 HB1 ALA 4 1HB ALA 4 9.595 4.506 -3.330
25 HB2 ALA 4 2HB ALA 4 9.924 3.660 -4.841
26 HB3 ALA 4 3HB ALA 4 8.962 5.137 -4.850
27 H SER 5 H SER 5 7.090 1.185 -3.227
28 HA SER 5 HA SER 5 8.066 -0.337 -5.561
29 HB2 SER 5 2HB SER 5 9.644 -0.673 -3.717
30 HB3 SER 5 1HB SER 5 8.321 -1.145 -2.654
31 HG SER 5 HG SER 5 8.261 -3.040 -3.585
32 H LEU 6 H LEU 6 6.836 -2.097 -6.173
33 HA LEU 6 HA LEU 6 4.080 -1.973 -5.846
34 HB2 LEU 6 2HB LEU 6 4.031 -4.246 -6.803
35 HB3 LEU 6 1HB LEU 6 5.150 -3.203 -7.679
36 HG LEU 6 HG LEU 6 6.753 -4.262 -5.696
37 HD11 LEU 6 1HD1 LEU 6 5.087 -6.544 -6.776
38 HD12 LEU 6 2HD1 LEU 6 6.317 -6.600 -5.514
39 HD13 LEU 6 3HD1 LEU 6 4.772 -5.812 -5.204
40 HD21 LEU 6 1HD2 LEU 6 7.545 -5.783 -7.599
41 HD22 LEU 6 2HD2 LEU 6 6.221 -5.112 -8.551
42 HD23 LEU 6 3HD2 LEU 6 7.503 -4.057 -7.956
43 H ARG 7 H ARG 7 6.506 -3.636 -3.935
44 HA ARG 7 HA ARG 7 4.824 -5.360 -2.480
45 HB2 ARG 7 2HB ARG 7 7.299 -5.492 -2.450
46 HB3 ARG 7 1HB ARG 7 7.352 -3.985 -1.534
47 HG2 ARG 7 2HG ARG 7 6.135 -4.997 0.309
48 HG3 ARG 7 1HG ARG 7 5.900 -6.482 -0.616
49 HD2 ARG 7 2HD ARG 7 8.326 -6.854 -0.672
50 HD3 ARG 7 1HD ARG 7 8.591 -5.348 0.201
51 HE ARG 7 HE ARG 7 7.932 -6.420 2.165
52 HH11 ARG 7 1HH1 ARG 7 7.202 -8.314 -0.637
53 HH12 ARG 7 2HH1 ARG 7 6.783 -9.734 0.262
54 HH21 ARG 7 1HH2 ARG 7 7.381 -8.278 3.351
55 HH22 ARG 7 2HH2 ARG 7 6.885 -9.714 2.519
56 H ALA 8 H ALA 8 5.831 -2.009 -1.878
57 HA ALA 8 HA ALA 8 4.561 -1.682 0.612
58 HB1 ALA 8 1HB ALA 8 5.200 0.499 0.465
59 HB2 ALA 8 2HB ALA 8 6.218 -0.143 -0.822
60 HB3 ALA 8 3HB ALA 8 4.692 0.641 -1.219
61 H ARG 9 H ARG 9 3.439 -1.171 -2.689
62 HA ARG 9 HA ARG 9 0.954 -0.020 -2.037
63 HB2 ARG 9 2HB ARG 9 1.828 -1.655 -4.424
64 HB3 ARG 9 1HB ARG 9 0.249 -0.875 -4.304
65 HG2 ARG 9 2HG ARG 9 1.325 1.310 -4.002
66 HG3 ARG 9 1HG ARG 9 2.915 0.549 -4.079
67 HD2 ARG 9 2HD ARG 9 2.450 -0.223 -6.364
68 HD3 ARG 9 1HD ARG 9 0.845 0.500 -6.292
69 HE ARG 9 HE ARG 9 1.821 2.594 -6.618
70 HH11 ARG 9 1HH1 ARG 9 4.186 0.185 -5.859
71 HH12 ARG 9 2HH1 ARG 9 5.540 1.199 -6.231
72 HH21 ARG 9 1HH2 ARG 9 3.590 3.930 -7.110
73 HH22 ARG 9 2HH2 ARG 9 5.202 3.320 -6.939
74 H HIS 10 H HIS 10 2.098 -3.102 -1.364
75 HA HIS 10 HA HIS 10 -0.650 -4.197 -1.176
76 HB2 HIS 10 2HB HIS 10 0.866 -5.407 -2.725
77 HB3 HIS 10 1HB HIS 10 1.967 -5.689 -1.370
78 HD1 HIS 10 1HD HIS 10 -1.742 -6.259 -2.130
79 HD2 HIS 10 2HD HIS 10 1.407 -8.056 -0.071
80 HE1 HIS 10 1HE HIS 10 -2.645 -8.433 -1.196
81 HE2 HIS 10 2HE HIS 10 -0.737 -9.540 0.062
82 H THR 11 H THR 11 2.553 -4.716 0.310
83 HA THR 11 HA THR 11 1.457 -5.623 2.783
84 HB THR 11 HB THR 11 3.765 -5.515 3.606
85 HG1 THR 11 1HG THR 11 5.151 -4.257 2.671
86 HG21 THR 11 1HG2 THR 11 4.799 -6.836 1.595
87 HG22 THR 11 2HG2 THR 11 3.407 -7.506 2.447
88 HG23 THR 11 3HG2 THR 11 3.183 -6.683 0.902
89 H ILE 12 H ILE 12 2.345 -2.494 1.505
90 HA ILE 12 HA ILE 12 1.989 -1.339 4.176
91 HB ILE 12 HB ILE 12 3.199 -0.013 1.758
92 HG12 ILE 12 2HG1 ILE 12 4.410 -2.071 2.831
93 HG13 ILE 12 1HG1 ILE 12 5.324 -0.591 2.539
94 HG21 ILE 12 1HG2 ILE 12 4.141 1.444 3.639
95 HG22 ILE 12 2HG2 ILE 12 2.448 1.676 3.208
96 HG23 ILE 12 3HG2 ILE 12 2.876 0.745 4.646
97 HD11 ILE 12 1HD1 ILE 12 5.344 -0.005 4.821
98 HD12 ILE 12 2HD1 ILE 12 3.955 -1.012 5.196
99 HD13 ILE 12 3HD1 ILE 12 5.516 -1.758 4.878
100 HA PRO 13 HA PRO 13 -1.985 -0.242 2.246
101 HB2 PRO 13 2HB PRO 13 -3.278 0.506 4.534
102 HB3 PRO 13 1HB PRO 13 -3.100 -1.181 4.018
103 HG2 PRO 13 2HG PRO 13 -1.569 0.345 6.060
104 HG3 PRO 13 1HG PRO 13 -2.124 -1.337 6.084
105 HD2 PRO 13 2HD PRO 13 0.443 -0.605 5.519
106 HD3 PRO 13 1HD PRO 13 -0.297 -2.098 4.886
107 H GLN 14 H GLN 14 0.082 1.700 4.236
108 HA GLN 14 HA GLN 14 -1.296 4.170 4.015
109 HB2 GLN 14 2HB GLN 14 1.625 3.525 4.468
110 HB3 GLN 14 1HB GLN 14 0.954 5.155 4.553
111 HG2 GLN 14 2HG GLN 14 -0.622 4.412 6.308
112 HG3 GLN 14 1HG GLN 14 0.069 2.791 6.234
113 HE21 GLN 14 1HE2 GLN 14 1.337 2.545 8.085
114 HE22 GLN 14 2HE2 GLN 14 2.452 3.693 8.649
115 H CYS 15 H CYS 15 0.713 2.355 1.839
116 HA CYS 15 HA CYS 15 1.516 4.494 0.147
117 HB2 CYS 15 2HB CYS 15 1.260 1.516 -0.272
118 HB3 CYS 15 1HB CYS 15 1.823 2.609 -1.541
119 H ARG 16 H ARG 16 -1.509 3.033 0.667
120 HA ARG 16 HA ARG 16 -2.663 3.127 -1.890
121 HB2 ARG 16 2HB ARG 16 -4.771 3.029 -0.782
122 HB3 ARG 16 1HB ARG 16 -3.650 2.121 0.230
123 HG2 ARG 16 2HG ARG 16 -3.299 4.269 1.560
124 HG3 ARG 16 1HG ARG 16 -4.667 4.938 0.675
125 HD2 ARG 16 2HD ARG 16 -6.089 3.074 1.461
126 HD3 ARG 16 1HD ARG 16 -4.728 2.436 2.378
127 HE ARG 16 HE ARG 16 -5.013 4.160 3.937
128 HH11 ARG 16 1HH1 ARG 16 -6.961 4.616 1.110
129 HH12 ARG 16 2HH1 ARG 16 -7.909 5.891 1.801
130 HH21 ARG 16 1HH2 ARG 16 -6.254 5.835 4.845
131 HH22 ARG 16 2HH2 ARG 16 -7.508 6.579 3.913
132 H LYS 17 H LYS 17 -2.007 5.637 0.468
133 HA LYS 17 HA LYS 17 -3.682 7.655 -0.584
134 HB2 LYS 17 2HB LYS 17 -1.101 7.799 0.985
135 HB3 LYS 17 1HB LYS 17 -2.069 9.216 0.575
136 HG2 LYS 17 2HG LYS 17 -4.013 8.232 1.731
137 HG3 LYS 17 1HG LYS 17 -3.050 6.812 2.142
138 HD2 LYS 17 2HD LYS 17 -1.475 8.255 3.399
139 HD3 LYS 17 1HD LYS 17 -2.474 9.659 3.017
140 HE2 LYS 17 2HE LYS 17 -3.418 7.216 4.548
141 HE3 LYS 17 1HE LYS 17 -2.980 8.762 5.274
142 HZ1 LYS 17 1HZ LYS 17 -4.708 9.571 3.434
143 HZ2 LYS 17 2HZ LYS 17 -5.345 8.030 3.753
144 HZ3 LYS 17 3HZ LYS 17 -5.168 9.150 5.014
145 H PHE 18 H PHE 18 -0.343 6.725 -1.310
146 HA PHE 18 HA PHE 18 0.184 8.861 -3.109
147 HB2 PHE 18 2HB PHE 18 1.442 6.166 -2.651
148 HB3 PHE 18 1HB PHE 18 1.992 7.231 -3.946
149 HD1 PHE 18 1HD PHE 18 1.630 6.865 -0.282
150 HD2 PHE 18 2HD PHE 18 3.156 9.290 -3.482
151 HE1 PHE 18 1HE PHE 18 2.942 8.195 1.350
152 HE2 PHE 18 2HE PHE 18 4.469 10.617 -1.852
153 HZ PHE 18 HZ PHE 18 4.357 10.070 0.561
154 H GLY 19 H GLY 19 -1.077 5.586 -3.522
155 HA2 GLY 19 2HA GLY 19 -1.327 5.961 -6.417
156 HA3 GLY 19 1HA GLY 19 -1.610 4.465 -5.532
157 H ARG 20 H ARG 20 -3.509 4.780 -7.201
158 HA ARG 20 HA ARG 20 -5.784 5.724 -5.611
159 HB2 ARG 20 2HB ARG 20 -5.214 7.587 -7.110
160 HB3 ARG 20 1HB ARG 20 -5.332 6.505 -8.497
161 HG2 ARG 20 2HG ARG 20 -7.682 6.122 -8.091
162 HG3 ARG 20 1HG ARG 20 -7.607 6.992 -6.558
163 HD2 ARG 20 2HD ARG 20 -6.996 8.254 -9.243
164 HD3 ARG 20 1HD ARG 20 -8.567 8.344 -8.451
165 HE ARG 20 HE ARG 20 -6.645 9.217 -6.609
166 HH11 ARG 20 1HH1 ARG 20 -7.964 10.100 -9.684
167 HH12 ARG 20 2HH1 ARG 20 -7.704 11.798 -9.463
168 HH21 ARG 20 1HH2 ARG 20 -6.302 11.442 -6.311
169 HH22 ARG 20 2HH2 ARG 20 -6.762 12.557 -7.553
170 H ARG 21 H ARG 21 -7.424 4.314 -5.646
171 HA ARG 21 HA ARG 21 -7.245 2.048 -7.509
172 HB2 ARG 21 2HB ARG 21 -7.563 1.968 -4.860
173 HB3 ARG 21 1HB ARG 21 -9.260 2.135 -5.310
174 HG2 ARG 21 2HG ARG 21 -9.034 -0.176 -5.370
175 HG3 ARG 21 1HG ARG 21 -8.660 0.227 -7.045
176 HD2 ARG 21 2HD ARG 21 -6.956 -1.289 -6.282
177 HD3 ARG 21 1HD ARG 21 -6.218 0.304 -6.381
178 HE ARG 21 HE ARG 21 -7.249 -0.113 -3.771
179 HH11 ARG 21 1HH1 ARG 21 -4.743 -1.114 -5.935
180 HH12 ARG 21 2HH1 ARG 21 -3.614 -1.486 -4.676
181 HH21 ARG 21 1HH2 ARG 21 -5.776 -0.596 -2.113
182 HH22 ARG 21 2HH2 ARG 21 -4.199 -1.193 -2.510
Start of MODEL 7
1 H1 ASN 1 H ASN 1 7.208 7.551 3.242
2 HA ASN 1 HA ASN 1 5.299 8.706 1.518
3 HB2 ASN 1 2HB ASN 1 7.109 10.390 1.045
4 HB3 ASN 1 1HB ASN 1 6.779 10.136 2.758
5 HD21 ASN 1 1HD2 ASN 1 8.788 10.307 3.785
6 HD22 ASN 1 2HD2 ASN 1 10.190 9.488 3.293
7 H LEU 2 H LEU 2 8.062 6.675 0.917
8 HA LEU 2 HA LEU 2 7.769 7.095 -1.985
9 HB2 LEU 2 2HB LEU 2 10.053 7.363 -1.119
10 HB3 LEU 2 1HB LEU 2 9.987 5.751 -0.412
11 HG LEU 2 HG LEU 2 9.706 4.766 -2.670
12 HD11 LEU 2 1HD1 LEU 2 10.313 6.552 -4.547
13 HD12 LEU 2 2HD1 LEU 2 8.644 6.310 -4.028
14 HD13 LEU 2 3HD1 LEU 2 9.575 7.667 -3.395
15 HD21 LEU 2 1HD2 LEU 2 12.011 6.311 -3.380
16 HD22 LEU 2 2HD2 LEU 2 12.023 6.048 -1.636
17 HD23 LEU 2 3HD2 LEU 2 11.942 4.672 -2.734
18 H CYS 3 H CYS 3 6.661 5.649 -3.103
19 HA CYS 3 HA CYS 3 6.340 2.922 -1.995
20 HB2 CYS 3 2HB CYS 3 4.480 4.627 -3.644
21 HB3 CYS 3 1HB CYS 3 4.254 2.889 -3.448
22 H ALA 4 H ALA 4 8.583 3.729 -3.603
23 HA ALA 4 HA ALA 4 8.294 3.104 -6.328
24 HB1 ALA 4 1HB ALA 4 10.306 4.150 -5.116
25 HB2 ALA 4 2HB ALA 4 10.767 2.496 -4.717
26 HB3 ALA 4 3HB ALA 4 10.657 2.995 -6.404
27 H SER 5 H SER 5 8.998 1.066 -3.514
28 HA SER 5 HA SER 5 9.246 -1.334 -5.108
29 HB2 SER 5 2HB SER 5 10.502 -1.117 -3.017
30 HB3 SER 5 1HB SER 5 9.000 -0.948 -2.114
31 HG SER 5 HG SER 5 10.236 -3.161 -2.692
32 H LEU 6 H LEU 6 7.715 -2.844 -5.512
33 HA LEU 6 HA LEU 6 4.985 -2.189 -5.414
34 HB2 LEU 6 2HB LEU 6 4.613 -4.576 -5.993
35 HB3 LEU 6 1HB LEU 6 5.841 -3.816 -7.003
36 HG LEU 6 HG LEU 6 7.327 -4.769 -4.869
37 HD11 LEU 6 1HD1 LEU 6 5.200 -6.811 -5.568
38 HD12 LEU 6 2HD1 LEU 6 6.620 -7.104 -4.565
39 HD13 LEU 6 3HD1 LEU 6 5.366 -5.993 -4.015
40 HD21 LEU 6 1HD2 LEU 6 6.675 -6.169 -7.481
41 HD22 LEU 6 2HD2 LEU 6 7.891 -4.908 -7.270
42 HD23 LEU 6 3HD2 LEU 6 8.094 -6.472 -6.480
43 H ARG 7 H ARG 7 7.067 -3.747 -3.103
44 HA ARG 7 HA ARG 7 5.150 -5.059 -1.518
45 HB2 ARG 7 2HB ARG 7 7.607 -5.357 -1.292
46 HB3 ARG 7 1HB ARG 7 7.714 -3.744 -0.586
47 HG2 ARG 7 2HG ARG 7 6.163 -4.449 1.225
48 HG3 ARG 7 1HG ARG 7 6.111 -6.068 0.527
49 HD2 ARG 7 2HD ARG 7 7.729 -6.060 2.327
50 HD3 ARG 7 1HD ARG 7 8.593 -6.206 0.798
51 HE ARG 7 HE ARG 7 8.358 -3.468 1.545
52 HH11 ARG 7 1HH1 ARG 7 9.985 -6.422 2.314
53 HH12 ARG 7 2HH1 ARG 7 11.402 -5.642 2.933
54 HH21 ARG 7 1HH2 ARG 7 10.213 -2.436 2.355
55 HH22 ARG 7 2HH2 ARG 7 11.531 -3.386 2.956
56 H ALA 8 H ALA 8 6.256 -1.711 -1.567
57 HA ALA 8 HA ALA 8 4.867 -0.919 0.800
58 HB1 ALA 8 1HB ALA 8 6.567 0.559 0.332
59 HB2 ALA 8 2HB ALA 8 6.303 0.480 -1.411
60 HB3 ALA 8 3HB ALA 8 5.211 1.421 -0.394
61 H ARG 9 H ARG 9 3.636 -2.008 -1.996
62 HA ARG 9 HA ARG 9 1.252 -0.262 -1.823
63 HB2 ARG 9 2HB ARG 9 2.497 -1.560 -4.254
64 HB3 ARG 9 1HB ARG 9 0.901 -0.809 -4.244
65 HG2 ARG 9 2HG ARG 9 1.845 1.334 -3.622
66 HG3 ARG 9 1HG ARG 9 3.446 0.620 -3.429
67 HD2 ARG 9 2HD ARG 9 3.277 1.757 -5.601
68 HD3 ARG 9 1HD ARG 9 3.458 0.019 -5.832
69 HE ARG 9 HE ARG 9 1.285 -0.053 -6.685
70 HH11 ARG 9 1HH1 ARG 9 1.976 2.987 -5.183
71 HH12 ARG 9 2HH1 ARG 9 0.541 3.758 -5.769
72 HH21 ARG 9 1HH2 ARG 9 -0.599 0.951 -7.456
73 HH22 ARG 9 2HH2 ARG 9 -0.918 2.607 -7.057
74 H HIS 10 H HIS 10 2.420 -3.249 -1.123
75 HA HIS 10 HA HIS 10 -0.186 -4.565 -1.623
76 HB2 HIS 10 2HB HIS 10 2.620 -5.635 -1.655
77 HB3 HIS 10 1HB HIS 10 1.244 -6.704 -1.372
78 HD1 HIS 10 1HD HIS 10 -0.773 -6.322 -3.282
79 HD2 HIS 10 2HD HIS 10 3.131 -5.333 -4.352
80 HE1 HIS 10 1HE HIS 10 -0.721 -6.251 -5.813
81 HE2 HIS 10 2HE HIS 10 1.652 -5.644 -6.481
82 H THR 11 H THR 11 2.609 -4.569 0.584
83 HA THR 11 HA THR 11 0.940 -5.673 2.715
84 HB THR 11 HB THR 11 3.048 -5.777 3.978
85 HG1 THR 11 1HG THR 11 4.690 -4.647 3.364
86 HG21 THR 11 1HG2 THR 11 2.311 -7.394 1.947
87 HG22 THR 11 2HG2 THR 11 3.862 -6.832 1.320
88 HG23 THR 11 3HG2 THR 11 3.787 -7.651 2.880
89 H ILE 12 H ILE 12 1.828 -2.654 1.527
90 HA ILE 12 HA ILE 12 1.347 -1.384 4.141
91 HB ILE 12 HB ILE 12 2.734 -0.160 1.780
92 HG12 ILE 12 2HG1 ILE 12 4.011 -2.053 2.642
93 HG13 ILE 12 1HG1 ILE 12 4.786 -0.547 3.121
94 HG21 ILE 12 1HG2 ILE 12 3.454 1.483 3.524
95 HG22 ILE 12 2HG2 ILE 12 1.702 1.467 3.313
96 HG23 ILE 12 3HG2 ILE 12 2.435 0.645 4.692
97 HD11 ILE 12 1HD1 ILE 12 3.301 -0.852 5.322
98 HD12 ILE 12 2HD1 ILE 12 3.291 -2.537 4.806
99 HD13 ILE 12 3HD1 ILE 12 4.818 -1.731 5.141
100 HA PRO 13 HA PRO 13 -2.389 -0.450 1.601
101 HB2 PRO 13 2HB PRO 13 -4.073 -0.180 3.758
102 HB3 PRO 13 1HB PRO 13 -3.708 -1.732 2.979
103 HG2 PRO 13 2HG PRO 13 -2.595 -0.552 5.468
104 HG3 PRO 13 1HG PRO 13 -3.043 -2.228 5.115
105 HD2 PRO 13 2HD PRO 13 -0.504 -1.347 5.119
106 HD3 PRO 13 1HD PRO 13 -1.044 -2.678 4.074
107 H GLN 14 H GLN 14 -0.702 1.234 4.063
108 HA GLN 14 HA GLN 14 -2.249 3.626 4.140
109 HB2 GLN 14 2HB GLN 14 0.677 3.142 4.758
110 HB3 GLN 14 1HB GLN 14 -0.206 4.618 5.147
111 HG2 GLN 14 2HG GLN 14 -0.492 3.509 7.145
112 HG3 GLN 14 1HG GLN 14 -1.878 2.846 6.280
113 HE21 GLN 14 1HE2 GLN 14 -0.463 1.444 8.410
114 HE22 GLN 14 2HE2 GLN 14 0.224 0.055 7.720
115 H CYS 15 H CYS 15 0.168 2.369 1.979
116 HA CYS 15 HA CYS 15 0.986 4.774 0.757
117 HB2 CYS 15 2HB CYS 15 2.203 2.675 0.443
118 HB3 CYS 15 1HB CYS 15 0.825 1.990 -0.422
119 H ARG 16 H ARG 16 -2.010 3.200 0.731
120 HA ARG 16 HA ARG 16 -2.961 3.619 -1.851
121 HB2 ARG 16 2HB ARG 16 -5.173 3.489 -0.889
122 HB3 ARG 16 1HB ARG 16 -4.128 2.377 -0.002
123 HG2 ARG 16 2HG ARG 16 -3.790 4.168 1.731
124 HG3 ARG 16 1HG ARG 16 -4.970 5.161 0.881
125 HD2 ARG 16 2HD ARG 16 -5.523 2.396 1.984
126 HD3 ARG 16 1HD ARG 16 -5.987 3.909 2.760
127 HE ARG 16 HE ARG 16 -7.017 3.987 0.168
128 HH11 ARG 16 1HH1 ARG 16 -7.291 2.084 3.045
129 HH12 ARG 16 2HH1 ARG 16 -8.937 1.630 2.754
130 HH21 ARG 16 1HH2 ARG 16 -9.176 3.393 -0.223
131 HH22 ARG 16 2HH2 ARG 16 -10.004 2.371 0.905
132 H LYS 17 H LYS 17 -2.598 5.855 0.843
133 HA LYS 17 HA LYS 17 -4.139 7.984 -0.218
134 HB2 LYS 17 2HB LYS 17 -1.832 7.920 1.725
135 HB3 LYS 17 1HB LYS 17 -2.720 9.389 1.322
136 HG2 LYS 17 2HG LYS 17 -4.811 8.385 2.093
137 HG3 LYS 17 1HG LYS 17 -3.994 6.854 2.404
138 HD2 LYS 17 2HD LYS 17 -4.053 7.833 4.536
139 HD3 LYS 17 1HD LYS 17 -2.450 8.286 3.960
140 HE2 LYS 17 2HE LYS 17 -3.604 10.224 4.953
141 HE3 LYS 17 1HE LYS 17 -3.334 10.483 3.230
142 HZ1 LYS 17 1HZ LYS 17 -5.552 10.023 2.740
143 HZ2 LYS 17 2HZ LYS 17 -5.843 9.303 4.251
144 HZ3 LYS 17 3HZ LYS 17 -5.636 10.982 4.139
145 H PHE 18 H PHE 18 -0.712 7.137 -0.483
146 HA PHE 18 HA PHE 18 0.024 9.451 -1.986
147 HB2 PHE 18 2HB PHE 18 1.342 6.788 -1.492
148 HB3 PHE 18 1HB PHE 18 2.049 7.988 -2.576
149 HD1 PHE 18 1HD PHE 18 1.338 7.105 0.895
150 HD2 PHE 18 2HD PHE 18 2.689 10.237 -1.719
151 HE1 PHE 18 1HE PHE 18 2.250 8.341 2.842
152 HE2 PHE 18 2HE PHE 18 3.600 11.469 0.230
153 HZ PHE 18 HZ PHE 18 3.375 10.521 2.504
154 H GLY 19 H GLY 19 -1.104 6.222 -2.794
155 HA2 GLY 19 2HA GLY 19 -0.516 6.212 -5.547
156 HA3 GLY 19 1HA GLY 19 -1.793 5.274 -4.777
157 H ARG 20 H ARG 20 -3.319 7.422 -3.747
158 HA ARG 20 HA ARG 20 -4.029 9.123 -6.007
159 HB2 ARG 20 2HB ARG 20 -6.322 8.351 -6.134
160 HB3 ARG 20 1HB ARG 20 -5.248 6.974 -6.388
161 HG2 ARG 20 2HG ARG 20 -5.466 6.496 -3.897
162 HG3 ARG 20 1HG ARG 20 -6.757 7.698 -3.868
163 HD2 ARG 20 2HD ARG 20 -7.963 6.418 -5.619
164 HD3 ARG 20 1HD ARG 20 -6.694 5.198 -5.578
165 HE ARG 20 HE ARG 20 -8.787 5.581 -3.606
166 HH11 ARG 20 1HH1 ARG 20 -5.648 4.313 -4.329
167 HH12 ARG 20 2HH1 ARG 20 -5.685 3.128 -3.066
168 HH21 ARG 20 1HH2 ARG 20 -8.842 4.029 -1.948
169 HH22 ARG 20 2HH2 ARG 20 -7.493 2.968 -1.720
170 H ARG 21 H ARG 21 -5.628 10.749 -5.428
171 HA ARG 21 HA ARG 21 -5.196 11.764 -2.784
172 HB2 ARG 21 2HB ARG 21 -7.062 12.671 -4.988
173 HB3 ARG 21 1HB ARG 21 -6.754 13.568 -3.502
174 HG2 ARG 21 2HG ARG 21 -4.369 13.715 -4.058
175 HG3 ARG 21 1HG ARG 21 -4.636 12.768 -5.521
176 HD2 ARG 21 2HD ARG 21 -4.583 15.110 -6.138
177 HD3 ARG 21 1HD ARG 21 -6.239 14.533 -6.299
178 HE ARG 21 HE ARG 21 -5.863 15.608 -3.705
179 HH11 ARG 21 1HH1 ARG 21 -6.078 16.509 -7.040
180 HH12 ARG 21 2HH1 ARG 21 -6.716 18.086 -6.715
181 HH21 ARG 21 1HH2 ARG 21 -6.698 17.675 -3.273
182 HH22 ARG 21 2HH2 ARG 21 -7.067 18.746 -4.583
Start of MODEL 8
1 H1 ASN 1 H ASN 1 3.304 5.444 5.769
2 HA ASN 1 HA ASN 1 5.692 5.518 6.477
3 HB2 ASN 1 2HB ASN 1 5.632 2.928 6.468
4 HB3 ASN 1 1HB ASN 1 6.035 3.076 4.758
5 HD21 ASN 1 1HD2 ASN 1 8.222 2.304 4.944
6 HD22 ASN 1 2HD2 ASN 1 9.417 3.161 5.793
7 H LEU 2 H LEU 2 7.217 4.370 4.028
8 HA LEU 2 HA LEU 2 6.542 6.607 2.215
9 HB2 LEU 2 2HB LEU 2 9.181 5.164 2.569
10 HB3 LEU 2 1HB LEU 2 8.885 6.532 1.497
11 HG LEU 2 HG LEU 2 8.562 6.573 4.515
12 HD11 LEU 2 1HD1 LEU 2 10.754 7.055 4.619
13 HD12 LEU 2 2HD1 LEU 2 10.885 6.785 2.880
14 HD13 LEU 2 3HD1 LEU 2 10.526 8.397 3.498
15 HD21 LEU 2 1HD2 LEU 2 8.635 9.153 3.825
16 HD22 LEU 2 2HD2 LEU 2 7.984 8.519 2.314
17 HD23 LEU 2 3HD2 LEU 2 7.120 8.250 3.826
18 H CYS 3 H CYS 3 6.222 6.223 0.072
19 HA CYS 3 HA CYS 3 5.555 3.547 -0.719
20 HB2 CYS 3 2HB CYS 3 5.679 6.161 -2.229
21 HB3 CYS 3 1HB CYS 3 5.161 4.641 -2.960
22 H ALA 4 H ALA 4 6.561 2.233 -2.229
23 HA ALA 4 HA ALA 4 9.220 3.057 -3.190
24 HB1 ALA 4 1HB ALA 4 8.738 1.174 -1.098
25 HB2 ALA 4 2HB ALA 4 9.340 0.297 -2.506
26 HB3 ALA 4 3HB ALA 4 10.278 1.629 -1.830
27 H SER 5 H SER 5 7.191 0.124 -3.190
28 HA SER 5 HA SER 5 6.715 0.318 -6.033
29 HB2 SER 5 2HB SER 5 7.889 -1.677 -6.686
30 HB3 SER 5 1HB SER 5 9.040 -0.622 -5.872
31 HG SER 5 HG SER 5 9.321 -2.546 -4.904
32 H LEU 6 H LEU 6 5.824 -2.044 -6.715
33 HA LEU 6 HA LEU 6 3.331 -2.385 -5.738
34 HB2 LEU 6 2HB LEU 6 3.550 -4.829 -6.375
35 HB3 LEU 6 1HB LEU 6 4.012 -3.681 -7.629
36 HG LEU 6 HG LEU 6 6.263 -4.296 -5.905
37 HD11 LEU 6 1HD1 LEU 6 6.508 -6.645 -6.792
38 HD12 LEU 6 2HD1 LEU 6 5.251 -6.456 -5.576
39 HD13 LEU 6 3HD1 LEU 6 4.820 -6.574 -7.283
40 HD21 LEU 6 1HD2 LEU 6 6.375 -3.265 -8.157
41 HD22 LEU 6 2HD2 LEU 6 7.314 -4.756 -8.083
42 HD23 LEU 6 3HD2 LEU 6 5.729 -4.748 -8.858
43 H ARG 7 H ARG 7 6.297 -3.484 -4.237
44 HA ARG 7 HA ARG 7 5.186 -5.234 -2.332
45 HB2 ARG 7 2HB ARG 7 7.655 -4.917 -2.891
46 HB3 ARG 7 1HB ARG 7 7.599 -3.470 -1.884
47 HG2 ARG 7 2HG ARG 7 8.271 -5.051 -0.321
48 HG3 ARG 7 1HG ARG 7 6.520 -5.115 -0.119
49 HD2 ARG 7 2HD ARG 7 6.430 -7.036 -1.700
50 HD3 ARG 7 1HD ARG 7 8.181 -6.980 -1.841
51 HE ARG 7 HE ARG 7 8.351 -7.903 0.308
52 HH11 ARG 7 1HH1 ARG 7 5.091 -7.057 -0.512
53 HH12 ARG 7 2HH1 ARG 7 4.390 -7.922 0.814
54 HH21 ARG 7 1HH2 ARG 7 7.432 -9.043 2.042
55 HH22 ARG 7 2HH2 ARG 7 5.714 -9.044 2.258
56 H ALA 8 H ALA 8 5.859 -1.751 -2.236
57 HA ALA 8 HA ALA 8 5.044 -1.274 0.423
58 HB1 ALA 8 1HB ALA 8 6.330 0.338 -0.944
59 HB2 ALA 8 2HB ALA 8 4.900 0.601 -1.940
60 HB3 ALA 8 3HB ALA 8 4.885 1.062 -0.239
61 H ARG 9 H ARG 9 3.275 -1.171 -2.640
62 HA ARG 9 HA ARG 9 0.843 -0.216 -1.600
63 HB2 ARG 9 2HB ARG 9 1.437 -1.967 -3.991
64 HB3 ARG 9 1HB ARG 9 -0.184 -1.381 -3.614
65 HG2 ARG 9 2HG ARG 9 0.782 0.970 -3.589
66 HG3 ARG 9 1HG ARG 9 2.276 0.283 -4.227
67 HD2 ARG 9 2HD ARG 9 -0.432 -0.052 -5.544
68 HD3 ARG 9 1HD ARG 9 0.725 1.197 -5.991
69 HE ARG 9 HE ARG 9 0.958 -1.664 -6.531
70 HH11 ARG 9 1HH1 ARG 9 2.428 1.476 -6.442
71 HH12 ARG 9 2HH1 ARG 9 3.698 1.059 -7.542
72 HH21 ARG 9 1HH2 ARG 9 2.622 -2.207 -7.973
73 HH22 ARG 9 2HH2 ARG 9 3.809 -1.023 -8.406
74 H HIS 10 H HIS 10 2.133 -3.497 -1.826
75 HA HIS 10 HA HIS 10 -0.275 -4.730 -0.831
76 HB2 HIS 10 2HB HIS 10 1.281 -5.942 -2.295
77 HB3 HIS 10 1HB HIS 10 2.546 -5.788 -1.069
78 HD1 HIS 10 1HD HIS 10 -0.964 -7.254 -1.411
79 HD2 HIS 10 2HD HIS 10 2.520 -7.827 0.807
80 HE1 HIS 10 1HE HIS 10 -1.344 -9.325 -0.004
81 HE2 HIS 10 2HE HIS 10 0.771 -9.688 1.354
82 H THR 11 H THR 11 3.026 -4.627 0.505
83 HA THR 11 HA THR 11 2.229 -5.375 3.125
84 HB THR 11 HB THR 11 4.791 -4.076 2.175
85 HG1 THR 11 1HG THR 11 3.816 -6.701 2.341
86 HG21 THR 11 1HG2 THR 11 3.984 -5.411 4.766
87 HG22 THR 11 2HG2 THR 11 5.668 -5.196 4.289
88 HG23 THR 11 3HG2 THR 11 4.636 -3.789 4.544
89 H ILE 12 H ILE 12 2.931 -2.278 1.609
90 HA ILE 12 HA ILE 12 2.246 -0.895 4.119
91 HB ILE 12 HB ILE 12 3.486 0.361 1.672
92 HG12 ILE 12 2HG1 ILE 12 4.820 -1.672 2.605
93 HG13 ILE 12 1HG1 ILE 12 5.655 -0.137 2.404
94 HG21 ILE 12 1HG2 ILE 12 4.456 1.839 3.459
95 HG22 ILE 12 2HG2 ILE 12 2.722 1.990 3.183
96 HG23 ILE 12 3HG2 ILE 12 3.316 1.095 4.581
97 HD11 ILE 12 1HD1 ILE 12 5.659 0.302 4.716
98 HD12 ILE 12 2HD1 ILE 12 4.335 -0.816 5.028
99 HD13 ILE 12 3HD1 ILE 12 5.937 -1.437 4.648
100 HA PRO 13 HA PRO 13 -1.495 -0.481 1.335
101 HB2 PRO 13 2HB PRO 13 -3.269 -0.198 3.447
102 HB3 PRO 13 1HB PRO 13 -2.858 -1.739 2.672
103 HG2 PRO 13 2HG PRO 13 -1.822 -0.550 5.191
104 HG3 PRO 13 1HG PRO 13 -2.226 -2.234 4.817
105 HD2 PRO 13 2HD PRO 13 0.315 -1.386 4.885
106 HD3 PRO 13 1HD PRO 13 -0.207 -2.619 3.718
107 H GLN 14 H GLN 14 -0.109 1.412 3.855
108 HA GLN 14 HA GLN 14 -1.783 3.678 3.793
109 HB2 GLN 14 2HB GLN 14 1.165 3.384 4.409
110 HB3 GLN 14 1HB GLN 14 0.257 4.880 4.642
111 HG2 GLN 14 2HG GLN 14 -1.307 3.702 6.142
112 HG3 GLN 14 1HG GLN 14 -0.402 2.208 5.915
113 HE21 GLN 14 1HE2 GLN 14 0.932 1.820 7.668
114 HE22 GLN 14 2HE2 GLN 14 1.758 3.012 8.552
115 H CYS 15 H CYS 15 0.806 2.582 1.714
116 HA CYS 15 HA CYS 15 1.357 4.943 0.306
117 HB2 CYS 15 2HB CYS 15 2.688 2.832 0.160
118 HB3 CYS 15 1HB CYS 15 1.383 2.125 -0.795
119 H ARG 16 H ARG 16 -1.404 2.864 0.234
120 HA ARG 16 HA ARG 16 -2.352 3.180 -2.345
121 HB2 ARG 16 2HB ARG 16 -4.510 2.640 -1.497
122 HB3 ARG 16 1HB ARG 16 -3.359 1.810 -0.446
123 HG2 ARG 16 2HG ARG 16 -3.487 3.865 1.079
124 HG3 ARG 16 1HG ARG 16 -4.881 4.365 0.124
125 HD2 ARG 16 2HD ARG 16 -4.656 1.678 1.503
126 HD3 ARG 16 1HD ARG 16 -5.495 3.070 2.179
127 HE ARG 16 HE ARG 16 -6.533 2.649 -0.381
128 HH11 ARG 16 1HH1 ARG 16 -6.279 1.027 2.666
129 HH12 ARG 16 2HH1 ARG 16 -7.753 0.138 2.473
130 HH21 ARG 16 1HH2 ARG 16 -8.466 1.480 -0.643
131 HH22 ARG 16 2HH2 ARG 16 -8.991 0.394 0.600
132 H LYS 17 H LYS 17 -2.484 5.432 0.371
133 HA LYS 17 HA LYS 17 -4.282 7.295 -0.762
134 HB2 LYS 17 2HB LYS 17 -2.062 7.614 1.265
135 HB3 LYS 17 1HB LYS 17 -3.186 8.906 0.842
136 HG2 LYS 17 2HG LYS 17 -5.086 7.486 1.511
137 HG3 LYS 17 1HG LYS 17 -3.968 6.185 1.927
138 HD2 LYS 17 2HD LYS 17 -2.911 7.607 3.626
139 HD3 LYS 17 1HD LYS 17 -3.981 8.940 3.193
140 HE2 LYS 17 2HE LYS 17 -4.843 7.792 5.180
141 HE3 LYS 17 1HE LYS 17 -5.939 7.547 3.820
142 HZ1 LYS 17 1HZ LYS 17 -5.338 5.373 3.599
143 HZ2 LYS 17 2HZ LYS 17 -3.794 5.601 4.268
144 HZ3 LYS 17 3HZ LYS 17 -5.154 5.548 5.278
145 H PHE 18 H PHE 18 -0.739 7.064 -0.861
146 HA PHE 18 HA PHE 18 -0.392 9.448 -2.409
147 HB2 PHE 18 2HB PHE 18 1.414 7.119 -1.766
148 HB3 PHE 18 1HB PHE 18 1.925 8.468 -2.785
149 HD1 PHE 18 1HD PHE 18 1.005 7.422 0.611
150 HD2 PHE 18 2HD PHE 18 2.111 10.741 -1.878
151 HE1 PHE 18 1HE PHE 18 1.429 8.795 2.631
152 HE2 PHE 18 2HE PHE 18 2.538 12.113 0.142
153 HZ PHE 18 HZ PHE 18 2.192 11.140 2.391
154 H GLY 19 H GLY 19 -0.696 6.019 -3.127
155 HA2 GLY 19 2HA GLY 19 0.048 6.061 -5.838
156 HA3 GLY 19 1HA GLY 19 -1.013 4.870 -5.093
157 H ARG 20 H ARG 20 -3.092 6.598 -4.275
158 HA ARG 20 HA ARG 20 -4.061 7.759 -6.809
159 HB2 ARG 20 2HB ARG 20 -4.984 5.468 -6.569
160 HB3 ARG 20 1HB ARG 20 -5.675 5.932 -5.014
161 HG2 ARG 20 2HG ARG 20 -7.030 7.660 -6.092
162 HG3 ARG 20 1HG ARG 20 -6.294 7.292 -7.652
163 HD2 ARG 20 2HD ARG 20 -7.207 5.007 -7.552
164 HD3 ARG 20 1HD ARG 20 -7.931 5.360 -5.985
165 HE ARG 20 HE ARG 20 -9.597 6.578 -7.076
166 HH11 ARG 20 1HH1 ARG 20 -6.971 5.804 -9.190
167 HH12 ARG 20 2HH1 ARG 20 -7.791 6.316 -10.626
168 HH21 ARG 20 1HH2 ARG 20 -10.682 7.256 -8.956
169 HH22 ARG 20 2HH2 ARG 20 -9.894 7.139 -10.494
170 H ARG 21 H ARG 21 -5.020 9.687 -6.563
171 HA ARG 21 HA ARG 21 -4.940 11.074 -4.120
172 HB2 ARG 21 2HB ARG 21 -4.951 12.198 -6.310
173 HB3 ARG 21 1HB ARG 21 -6.610 11.662 -6.576
174 HG2 ARG 21 2HG ARG 21 -7.378 12.941 -4.645
175 HG3 ARG 21 1HG ARG 21 -5.720 13.400 -4.257
176 HD2 ARG 21 2HD ARG 21 -6.849 15.221 -5.454
177 HD3 ARG 21 1HD ARG 21 -5.542 14.562 -6.433
178 HE ARG 21 HE ARG 21 -7.133 13.769 -7.945
179 HH11 ARG 21 1HH1 ARG 21 -8.591 14.804 -4.982
180 HH12 ARG 21 2HH1 ARG 21 -10.212 14.703 -5.584
181 HH21 ARG 21 1HH2 ARG 21 -9.255 13.632 -8.740
182 HH22 ARG 21 2HH2 ARG 21 -10.588 14.040 -7.712
Start of MODEL 9
1 H1 ASN 1 H ASN 1 8.896 8.270 -1.372
2 HA ASN 1 HA ASN 1 10.946 7.655 -2.754
3 HB2 ASN 1 2HB ASN 1 12.166 8.879 -0.278
4 HB3 ASN 1 1HB ASN 1 13.069 7.822 -1.362
5 HD21 ASN 1 1HD2 ASN 1 13.730 10.620 -0.971
6 HD22 ASN 1 2HD2 ASN 1 13.471 11.414 -2.449
7 H LEU 2 H LEU 2 10.134 7.306 0.668
8 HA LEU 2 HA LEU 2 11.262 4.752 1.072
9 HB2 LEU 2 2HB LEU 2 8.931 6.154 2.389
10 HB3 LEU 2 1HB LEU 2 9.567 4.612 2.950
11 HG LEU 2 HG LEU 2 11.226 7.133 2.636
12 HD11 LEU 2 1HD1 LEU 2 11.159 6.744 5.289
13 HD12 LEU 2 2HD1 LEU 2 9.966 7.742 4.456
14 HD13 LEU 2 3HD1 LEU 2 9.580 6.074 4.880
15 HD21 LEU 2 1HD2 LEU 2 12.566 5.580 4.399
16 HD22 LEU 2 2HD2 LEU 2 11.798 4.319 3.441
17 HD23 LEU 2 3HD2 LEU 2 12.844 5.503 2.661
18 H CYS 3 H CYS 3 8.087 5.779 -0.101
19 HA CYS 3 HA CYS 3 7.357 2.960 -0.564
20 HB2 CYS 3 2HB CYS 3 5.694 4.268 0.641
21 HB3 CYS 3 1HB CYS 3 5.686 5.484 -0.636
22 H ALA 4 H ALA 4 7.724 2.159 -2.514
23 HA ALA 4 HA ALA 4 7.010 3.616 -4.896
24 HB1 ALA 4 1HB ALA 4 9.261 4.544 -4.423
25 HB2 ALA 4 2HB ALA 4 9.923 2.908 -4.464
26 HB3 ALA 4 3HB ALA 4 9.222 3.616 -5.921
27 H SER 5 H SER 5 8.656 0.837 -3.453
28 HA SER 5 HA SER 5 8.430 -0.855 -5.740
29 HB2 SER 5 2HB SER 5 10.072 -1.336 -4.013
30 HB3 SER 5 1HB SER 5 8.801 -1.508 -2.806
31 HG SER 5 HG SER 5 8.699 -3.505 -3.424
32 H LEU 6 H LEU 6 6.859 -2.285 -6.323
33 HA LEU 6 HA LEU 6 4.201 -1.831 -5.722
34 HB2 LEU 6 2HB LEU 6 3.735 -4.001 -6.737
35 HB3 LEU 6 1HB LEU 6 4.998 -3.172 -7.647
36 HG LEU 6 HG LEU 6 6.444 -4.550 -5.739
37 HD11 LEU 6 1HD1 LEU 6 4.345 -6.459 -6.786
38 HD12 LEU 6 2HD1 LEU 6 5.583 -6.768 -5.568
39 HD13 LEU 6 3HD1 LEU 6 4.222 -5.712 -5.193
40 HD21 LEU 6 1HD2 LEU 6 7.124 -4.434 -8.033
41 HD22 LEU 6 2HD2 LEU 6 6.885 -6.146 -7.683
42 HD23 LEU 6 3HD2 LEU 6 5.659 -5.248 -8.578
43 H ARG 7 H ARG 7 6.563 -3.603 -3.923
44 HA ARG 7 HA ARG 7 4.950 -5.320 -2.414
45 HB2 ARG 7 2HB ARG 7 7.446 -5.343 -2.432
46 HB3 ARG 7 1HB ARG 7 7.428 -3.871 -1.455
47 HG2 ARG 7 2HG ARG 7 6.218 -5.020 0.326
48 HG3 ARG 7 1HG ARG 7 6.111 -6.483 -0.653
49 HD2 ARG 7 2HD ARG 7 8.575 -6.642 -0.678
50 HD3 ARG 7 1HD ARG 7 8.677 -5.190 0.313
51 HE ARG 7 HE ARG 7 7.031 -7.042 1.644
52 HH11 ARG 7 1HH1 ARG 7 10.309 -6.622 0.614
53 HH12 ARG 7 2HH1 ARG 7 10.979 -7.569 1.900
54 HH21 ARG 7 1HH2 ARG 7 7.902 -8.288 3.330
55 HH22 ARG 7 2HH2 ARG 7 9.617 -8.513 3.437
56 H ALA 8 H ALA 8 5.631 -1.895 -2.070
57 HA ALA 8 HA ALA 8 4.626 -1.475 0.514
58 HB1 ALA 8 1HB ALA 8 5.102 0.679 0.058
59 HB2 ALA 8 2HB ALA 8 5.700 0.098 -1.492
60 HB3 ALA 8 3HB ALA 8 4.045 0.689 -1.355
61 H ARG 9 H ARG 9 3.018 -1.534 -2.630
62 HA ARG 9 HA ARG 9 0.484 -0.678 -1.737
63 HB2 ARG 9 2HB ARG 9 1.312 -2.390 -4.089
64 HB3 ARG 9 1HB ARG 9 -0.353 -1.879 -3.809
65 HG2 ARG 9 2HG ARG 9 0.411 0.491 -3.776
66 HG3 ARG 9 1HG ARG 9 2.044 -0.054 -4.160
67 HD2 ARG 9 2HD ARG 9 -0.379 -0.655 -5.874
68 HD3 ARG 9 1HD ARG 9 0.717 0.693 -6.164
69 HE ARG 9 HE ARG 9 2.258 -1.649 -5.989
70 HH11 ARG 9 1HH1 ARG 9 -0.188 -0.198 -7.962
71 HH12 ARG 9 2HH1 ARG 9 0.331 -0.978 -9.419
72 HH21 ARG 9 1HH2 ARG 9 2.940 -2.678 -7.895
73 HH22 ARG 9 2HH2 ARG 9 2.101 -2.383 -9.381
74 H HIS 10 H HIS 10 2.194 -3.504 -1.056
75 HA HIS 10 HA HIS 10 -0.269 -5.032 -0.479
76 HB2 HIS 10 2HB HIS 10 1.622 -6.009 -1.915
77 HB3 HIS 10 1HB HIS 10 2.543 -6.106 -0.411
78 HD1 HIS 10 1HD HIS 10 1.374 -7.543 1.560
79 HD2 HIS 10 2HD HIS 10 -0.238 -8.058 -2.251
80 HE1 HIS 10 1HE HIS 10 -0.020 -9.656 1.651
81 HE2 HIS 10 2HE HIS 10 -1.008 -9.983 -0.665
82 H THR 11 H THR 11 2.971 -4.503 0.925
83 HA THR 11 HA THR 11 1.981 -5.147 3.582
84 HB THR 11 HB THR 11 4.324 -4.800 4.266
85 HG1 THR 11 1HG THR 11 4.487 -3.927 1.601
86 HG21 THR 11 1HG2 THR 11 3.592 -6.603 1.995
87 HG22 THR 11 2HG2 THR 11 5.273 -6.545 2.522
88 HG23 THR 11 3HG2 THR 11 4.008 -7.014 3.658
89 H ILE 12 H ILE 12 2.278 -2.380 1.652
90 HA ILE 12 HA ILE 12 2.055 -0.654 4.032
91 HB ILE 12 HB ILE 12 3.268 0.200 1.415
92 HG12 ILE 12 2HG1 ILE 12 4.547 -1.593 2.800
93 HG13 ILE 12 1HG1 ILE 12 5.408 -0.148 2.286
94 HG21 ILE 12 1HG2 ILE 12 4.177 1.992 2.996
95 HG22 ILE 12 2HG2 ILE 12 2.486 2.109 2.520
96 HG23 ILE 12 3HG2 ILE 12 2.914 1.479 4.109
97 HD11 ILE 12 1HD1 ILE 12 5.449 0.753 4.439
98 HD12 ILE 12 2HD1 ILE 12 4.011 -0.108 4.950
99 HD13 ILE 12 3HD1 ILE 12 5.540 -0.965 4.807
100 HA PRO 13 HA PRO 13 -1.831 -0.490 1.465
101 HB2 PRO 13 2HB PRO 13 -3.400 0.071 3.701
102 HB3 PRO 13 1HB PRO 13 -3.117 -1.546 3.034
103 HG2 PRO 13 2HG PRO 13 -1.800 -0.193 5.335
104 HG3 PRO 13 1HG PRO 13 -2.291 -1.888 5.144
105 HD2 PRO 13 2HD PRO 13 0.257 -1.160 4.906
106 HD3 PRO 13 1HD PRO 13 -0.413 -2.433 3.871
107 H GLN 14 H GLN 14 -0.317 1.627 3.778
108 HA GLN 14 HA GLN 14 -1.913 3.929 3.450
109 HB2 GLN 14 2HB GLN 14 -0.326 3.782 5.265
110 HB3 GLN 14 1HB GLN 14 1.019 3.646 4.132
111 HG2 GLN 14 2HG GLN 14 0.719 5.873 3.354
112 HG3 GLN 14 1HG GLN 14 -0.854 6.015 4.138
113 HE21 GLN 14 1HE2 GLN 14 2.605 5.437 4.984
114 HE22 GLN 14 2HE2 GLN 14 2.534 6.286 6.451
115 H CYS 15 H CYS 15 0.590 2.506 1.492
116 HA CYS 15 HA CYS 15 1.294 4.714 -0.102
117 HB2 CYS 15 2HB CYS 15 1.301 1.737 -0.594
118 HB3 CYS 15 1HB CYS 15 1.857 2.891 -1.812
119 H ARG 16 H ARG 16 -1.568 2.777 -0.002
120 HA ARG 16 HA ARG 16 -2.482 3.139 -2.635
121 HB2 ARG 16 2HB ARG 16 -4.569 2.402 -1.873
122 HB3 ARG 16 1HB ARG 16 -3.435 1.642 -0.759
123 HG2 ARG 16 2HG ARG 16 -3.808 3.658 0.776
124 HG3 ARG 16 1HG ARG 16 -5.150 4.090 -0.272
125 HD2 ARG 16 2HD ARG 16 -6.131 1.829 0.106
126 HD3 ARG 16 1HD ARG 16 -4.842 1.504 1.264
127 HE ARG 16 HE ARG 16 -6.088 3.922 1.985
128 HH11 ARG 16 1HH1 ARG 16 -6.726 0.534 1.747
129 HH12 ARG 16 2HH1 ARG 16 -7.886 0.520 3.034
130 HH21 ARG 16 1HH2 ARG 16 -7.605 3.917 3.673
131 HH22 ARG 16 2HH2 ARG 16 -8.383 2.438 4.126
132 H LYS 17 H LYS 17 -2.885 5.097 0.294
133 HA LYS 17 HA LYS 17 -4.585 7.053 -0.871
134 HB2 LYS 17 2HB LYS 17 -2.778 7.129 1.553
135 HB3 LYS 17 1HB LYS 17 -3.850 8.454 1.099
136 HG2 LYS 17 2HG LYS 17 -5.784 6.904 1.197
137 HG3 LYS 17 1HG LYS 17 -4.703 5.608 1.706
138 HD2 LYS 17 2HD LYS 17 -4.087 6.867 3.714
139 HD3 LYS 17 1HD LYS 17 -5.104 8.214 3.201
140 HE2 LYS 17 2HE LYS 17 -6.325 6.877 4.834
141 HE3 LYS 17 1HE LYS 17 -7.079 6.685 3.251
142 HZ1 LYS 17 1HZ LYS 17 -6.598 4.532 3.221
143 HZ2 LYS 17 2HZ LYS 17 -4.987 4.791 3.697
144 HZ3 LYS 17 3HZ LYS 17 -6.207 4.672 4.870
145 H PHE 18 H PHE 18 -1.083 6.809 -0.442
146 HA PHE 18 HA PHE 18 -0.395 9.389 -1.385
147 HB2 PHE 18 2HB PHE 18 1.189 7.964 -0.191
148 HB3 PHE 18 1HB PHE 18 1.170 6.809 -1.525
149 HD1 PHE 18 1HD PHE 18 2.648 7.063 -3.312
150 HD2 PHE 18 2HD PHE 18 1.808 10.420 -0.777
151 HE1 PHE 18 1HE PHE 18 4.370 8.395 -4.507
152 HE2 PHE 18 2HE PHE 18 3.529 11.753 -1.964
153 HZ PHE 18 HZ PHE 18 4.799 10.738 -3.825
154 H GLY 19 H GLY 19 -0.698 6.279 -3.077
155 HA2 GLY 19 2HA GLY 19 0.070 7.169 -5.634
156 HA3 GLY 19 1HA GLY 19 -0.953 5.772 -5.305
157 H ARG 20 H ARG 20 -3.082 7.151 -4.013
158 HA ARG 20 HA ARG 20 -5.086 8.138 -4.539
159 HB2 ARG 20 2HB ARG 20 -3.307 9.960 -6.179
160 HB3 ARG 20 1HB ARG 20 -4.988 10.279 -5.763
161 HG2 ARG 20 2HG ARG 20 -4.357 10.112 -3.338
162 HG3 ARG 20 1HG ARG 20 -2.670 9.978 -3.838
163 HD2 ARG 20 2HD ARG 20 -2.834 12.159 -4.982
164 HD3 ARG 20 1HD ARG 20 -4.513 12.298 -4.466
165 HE ARG 20 HE ARG 20 -2.852 11.872 -2.207
166 HH11 ARG 20 1HH1 ARG 20 -3.664 14.214 -4.619
167 HH12 ARG 20 2HH1 ARG 20 -3.309 15.578 -3.613
168 HH21 ARG 20 1HH2 ARG 20 -2.390 13.655 -0.878
169 HH22 ARG 20 2HH2 ARG 20 -2.588 15.261 -1.493
170 H ARG 21 H ARG 21 -4.421 5.861 -6.009
171 HA ARG 21 HA ARG 21 -4.753 6.204 -8.814
172 HB2 ARG 21 2HB ARG 21 -5.286 3.755 -8.778
173 HB3 ARG 21 1HB ARG 21 -3.774 4.164 -7.967
174 HG2 ARG 21 2HG ARG 21 -4.906 4.111 -5.787
175 HG3 ARG 21 1HG ARG 21 -6.440 3.750 -6.580
176 HD2 ARG 21 2HD ARG 21 -3.971 2.009 -6.794
177 HD3 ARG 21 1HD ARG 21 -5.286 1.719 -5.660
178 HE ARG 21 HE ARG 21 -6.435 1.926 -8.194
179 HH11 ARG 21 1HH1 ARG 21 -4.158 -0.051 -6.496
180 HH12 ARG 21 2HH1 ARG 21 -4.518 -1.482 -7.401
181 HH21 ARG 21 1HH2 ARG 21 -6.911 0.051 -9.386
182 HH22 ARG 21 2HH2 ARG 21 -6.076 -1.425 -9.036
Start of MODEL 10
1 H1 ASN 1 H ASN 1 4.301 8.278 -0.602
2 HA ASN 1 HA ASN 1 7.217 8.667 -0.358
3 HB2 ASN 1 2HB ASN 1 5.286 8.384 1.936
4 HB3 ASN 1 1HB ASN 1 6.883 9.129 1.930
5 HD21 ASN 1 1HD2 ASN 1 6.929 10.999 0.045
6 HD22 ASN 1 2HD2 ASN 1 5.625 12.080 0.148
7 H LEU 2 H LEU 2 8.545 7.032 0.205
8 HA LEU 2 HA LEU 2 9.255 4.858 0.479
9 HB2 LEU 2 2HB LEU 2 6.848 4.714 2.311
10 HB3 LEU 2 1HB LEU 2 8.273 3.677 2.364
11 HG LEU 2 HG LEU 2 8.268 6.681 2.799
12 HD11 LEU 2 1HD1 LEU 2 7.284 5.627 4.714
13 HD12 LEU 2 2HD1 LEU 2 8.472 4.324 4.688
14 HD13 LEU 2 3HD1 LEU 2 8.965 5.957 5.137
15 HD21 LEU 2 1HD2 LEU 2 10.405 6.245 1.977
16 HD22 LEU 2 2HD2 LEU 2 10.648 5.947 3.698
17 HD23 LEU 2 3HD2 LEU 2 10.417 4.593 2.593
18 H CYS 3 H CYS 3 7.148 5.493 -1.579
19 HA CYS 3 HA CYS 3 5.851 2.857 -1.816
20 HB2 CYS 3 2HB CYS 3 5.292 5.518 -3.128
21 HB3 CYS 3 1HB CYS 3 4.524 4.013 -3.637
22 H ALA 4 H ALA 4 8.732 3.669 -2.452
23 HA ALA 4 HA ALA 4 9.136 3.665 -5.234
24 HB1 ALA 4 1HB ALA 4 10.798 4.026 -3.221
25 HB2 ALA 4 2HB ALA 4 11.073 2.294 -3.409
26 HB3 ALA 4 3HB ALA 4 11.386 3.388 -4.757
27 H SER 5 H SER 5 8.802 1.004 -2.920
28 HA SER 5 HA SER 5 9.055 -0.948 -5.100
29 HB2 SER 5 2HB SER 5 10.313 -1.471 -3.096
30 HB3 SER 5 1HB SER 5 8.875 -1.286 -2.098
31 HG SER 5 HG SER 5 7.957 -3.027 -3.312
32 H LEU 6 H LEU 6 7.335 -1.913 -5.995
33 HA LEU 6 HA LEU 6 4.707 -1.074 -5.548
34 HB2 LEU 6 2HB LEU 6 4.039 -2.969 -6.944
35 HB3 LEU 6 1HB LEU 6 5.467 -2.187 -7.619
36 HG LEU 6 HG LEU 6 6.585 -4.033 -5.912
37 HD11 LEU 6 1HD1 LEU 6 4.385 -5.518 -7.346
38 HD12 LEU 6 2HD1 LEU 6 5.440 -6.091 -6.054
39 HD13 LEU 6 3HD1 LEU 6 4.157 -4.934 -5.699
40 HD21 LEU 6 1HD2 LEU 6 7.363 -3.613 -8.166
41 HD22 LEU 6 2HD2 LEU 6 7.002 -5.334 -8.035
42 HD23 LEU 6 3HD2 LEU 6 5.870 -4.255 -8.851
43 H ARG 7 H ARG 7 6.638 -3.291 -3.806
44 HA ARG 7 HA ARG 7 4.710 -5.049 -2.770
45 HB2 ARG 7 2HB ARG 7 7.170 -5.343 -2.536
46 HB3 ARG 7 1HB ARG 7 7.184 -4.024 -1.363
47 HG2 ARG 7 2HG ARG 7 5.678 -5.257 0.107
48 HG3 ARG 7 1HG ARG 7 5.525 -6.546 -1.086
49 HD2 ARG 7 2HD ARG 7 7.135 -7.247 0.585
50 HD3 ARG 7 1HD ARG 7 7.997 -6.920 -0.916
51 HE ARG 7 HE ARG 7 7.939 -4.586 0.707
52 HH11 ARG 7 1HH1 ARG 7 9.359 -7.729 0.418
53 HH12 ARG 7 2HH1 ARG 7 10.816 -7.298 1.249
54 HH21 ARG 7 1HH2 ARG 7 9.843 -4.016 1.804
55 HH22 ARG 7 2HH2 ARG 7 11.091 -5.196 2.034
56 H ALA 8 H ALA 8 5.588 -1.771 -1.901
57 HA ALA 8 HA ALA 8 4.399 -1.601 0.622
58 HB1 ALA 8 1HB ALA 8 5.504 0.345 0.289
59 HB2 ALA 8 2HB ALA 8 5.266 0.287 -1.456
60 HB3 ALA 8 3HB ALA 8 3.979 0.890 -0.411
61 H ARG 9 H ARG 9 3.019 -1.264 -2.595
62 HA ARG 9 HA ARG 9 0.497 -0.270 -1.887
63 HB2 ARG 9 2HB ARG 9 1.372 -2.045 -4.171
64 HB3 ARG 9 1HB ARG 9 -0.257 -1.382 -4.033
65 HG2 ARG 9 2HG ARG 9 0.600 0.887 -4.069
66 HG3 ARG 9 1HG ARG 9 2.264 0.302 -4.008
67 HD2 ARG 9 2HD ARG 9 1.991 -0.774 -6.192
68 HD3 ARG 9 1HD ARG 9 0.305 -0.270 -6.251
69 HE ARG 9 HE ARG 9 1.789 2.051 -5.899
70 HH11 ARG 9 1HH1 ARG 9 1.539 -0.541 -8.177
71 HH12 ARG 9 2HH1 ARG 9 1.998 0.426 -9.538
72 HH21 ARG 9 1HH2 ARG 9 2.398 3.327 -7.677
73 HH22 ARG 9 2HH2 ARG 9 2.485 2.616 -9.255
74 H HIS 10 H HIS 10 1.907 -3.359 -1.382
75 HA HIS 10 HA HIS 10 -0.717 -4.586 -0.828
76 HB2 HIS 10 2HB HIS 10 2.040 -5.716 -1.263
77 HB3 HIS 10 1HB HIS 10 0.701 -6.689 -0.652
78 HD1 HIS 10 1HD HIS 10 1.679 -4.622 -3.679
79 HD2 HIS 10 2HD HIS 10 -1.146 -7.492 -2.600
80 HE1 HIS 10 1HE HIS 10 0.456 -5.258 -5.804
81 HE2 HIS 10 2HE HIS 10 -1.270 -7.007 -5.163
82 H THR 11 H THR 11 2.547 -4.790 0.576
83 HA THR 11 HA THR 11 1.626 -5.518 3.157
84 HB THR 11 HB THR 11 4.299 -4.386 2.307
85 HG1 THR 11 1HG THR 11 3.364 -7.036 2.700
86 HG21 THR 11 1HG2 THR 11 3.285 -5.648 4.854
87 HG22 THR 11 2HG2 THR 11 4.998 -5.662 4.432
88 HG23 THR 11 3HG2 THR 11 4.157 -4.127 4.658
89 H ILE 12 H ILE 12 2.529 -2.458 1.683
90 HA ILE 12 HA ILE 12 1.939 -1.047 4.197
91 HB ILE 12 HB ILE 12 3.182 0.060 1.677
92 HG12 ILE 12 2HG1 ILE 12 4.449 -1.889 2.869
93 HG13 ILE 12 1HG1 ILE 12 5.321 -0.406 2.490
94 HG21 ILE 12 1HG2 ILE 12 4.135 1.669 3.407
95 HG22 ILE 12 2HG2 ILE 12 2.434 1.852 2.984
96 HG23 ILE 12 3HG2 ILE 12 2.888 1.058 4.495
97 HD11 ILE 12 1HD1 ILE 12 5.326 0.315 4.725
98 HD12 ILE 12 2HD1 ILE 12 3.960 -0.701 5.161
99 HD13 ILE 12 3HD1 ILE 12 5.541 -1.427 4.889
100 HA PRO 13 HA PRO 13 -1.879 -0.441 1.556
101 HB2 PRO 13 2HB PRO 13 -3.557 -0.053 3.727
102 HB3 PRO 13 1HB PRO 13 -3.257 -1.618 2.950
103 HG2 PRO 13 2HG PRO 13 -2.068 -0.474 5.422
104 HG3 PRO 13 1HG PRO 13 -2.575 -2.135 5.075
105 HD2 PRO 13 2HD PRO 13 0.010 -1.423 5.045
106 HD3 PRO 13 1HD PRO 13 -0.618 -2.635 3.909
107 H GLN 14 H GLN 14 -0.259 1.393 3.969
108 HA GLN 14 HA GLN 14 -1.816 3.751 3.951
109 HB2 GLN 14 2HB GLN 14 1.123 3.288 4.483
110 HB3 GLN 14 1HB GLN 14 0.325 4.846 4.704
111 HG2 GLN 14 2HG GLN 14 -1.265 3.806 6.281
112 HG3 GLN 14 1HG GLN 14 -0.458 2.255 6.068
113 HE21 GLN 14 1HE2 GLN 14 0.591 1.935 8.052
114 HE22 GLN 14 2HE2 GLN 14 1.649 3.055 8.764
115 H CYS 15 H CYS 15 0.566 2.454 1.757
116 HA CYS 15 HA CYS 15 1.276 4.762 0.334
117 HB2 CYS 15 2HB CYS 15 2.378 2.528 0.101
118 HB3 CYS 15 1HB CYS 15 0.958 1.969 -0.787
119 H ARG 16 H ARG 16 -1.703 3.072 0.484
120 HA ARG 16 HA ARG 16 -2.764 3.508 -2.059
121 HB2 ARG 16 2HB ARG 16 -4.916 3.174 -1.066
122 HB3 ARG 16 1HB ARG 16 -3.781 2.158 -0.173
123 HG2 ARG 16 2HG ARG 16 -3.560 4.069 1.496
124 HG3 ARG 16 1HG ARG 16 -4.919 4.834 0.679
125 HD2 ARG 16 2HD ARG 16 -6.314 2.858 1.106
126 HD3 ARG 16 1HD ARG 16 -4.965 2.074 1.921
127 HE ARG 16 HE ARG 16 -5.319 3.467 3.766
128 HH11 ARG 16 1HH1 ARG 16 -7.175 4.452 1.017
129 HH12 ARG 16 2HH1 ARG 16 -8.145 5.582 1.902
130 HH21 ARG 16 1HH2 ARG 16 -6.583 4.952 4.933
131 HH22 ARG 16 2HH2 ARG 16 -7.809 5.865 4.119
132 H LYS 17 H LYS 17 -2.324 5.692 0.643
133 HA LYS 17 HA LYS 17 -4.079 7.751 -0.168
134 HB2 LYS 17 2HB LYS 17 -1.546 7.794 1.479
135 HB3 LYS 17 1HB LYS 17 -2.573 9.210 1.240
136 HG2 LYS 17 2HG LYS 17 -4.494 7.974 2.170
137 HG3 LYS 17 1HG LYS 17 -3.464 6.565 2.424
138 HD2 LYS 17 2HD LYS 17 -2.020 7.896 3.926
139 HD3 LYS 17 1HD LYS 17 -3.074 9.291 3.693
140 HE2 LYS 17 2HE LYS 17 -3.959 6.625 4.835
141 HE3 LYS 17 1HE LYS 17 -3.599 8.062 5.792
142 HZ1 LYS 17 1HZ LYS 17 -6.021 7.563 5.054
143 HZ2 LYS 17 2HZ LYS 17 -5.437 9.157 5.011
144 HZ3 LYS 17 3HZ LYS 17 -5.527 8.250 3.583
145 H PHE 18 H PHE 18 -0.687 7.080 -0.923
146 HA PHE 18 HA PHE 18 -0.661 9.359 -2.788
147 HB2 PHE 18 2HB PHE 18 1.579 7.692 -1.632
148 HB3 PHE 18 1HB PHE 18 1.806 8.952 -2.850
149 HD1 PHE 18 1HD PHE 18 1.052 8.246 0.662
150 HD2 PHE 18 2HD PHE 18 1.290 11.311 -2.337
151 HE1 PHE 18 1HE PHE 18 1.005 9.982 2.430
152 HE2 PHE 18 2HE PHE 18 1.246 13.045 -0.568
153 HZ PHE 18 HZ PHE 18 1.099 12.378 1.808
154 H GLY 19 H GLY 19 -1.613 6.308 -2.927
155 HA2 GLY 19 2HA GLY 19 -0.626 5.945 -5.690
156 HA3 GLY 19 1HA GLY 19 -0.604 4.600 -4.554
157 H ARG 20 H ARG 20 -1.991 4.539 -6.998
158 HA ARG 20 HA ARG 20 -4.676 3.985 -6.016
159 HB2 ARG 20 2HB ARG 20 -5.793 5.308 -7.731
160 HB3 ARG 20 1HB ARG 20 -4.778 6.354 -6.738
161 HG2 ARG 20 2HG ARG 20 -2.973 6.157 -8.466
162 HG3 ARG 20 1HG ARG 20 -4.097 5.253 -9.481
163 HD2 ARG 20 2HD ARG 20 -5.658 7.173 -9.443
164 HD3 ARG 20 1HD ARG 20 -4.504 8.081 -8.471
165 HE ARG 20 HE ARG 20 -4.325 7.543 -11.316
166 HH11 ARG 20 1HH1 ARG 20 -2.676 8.379 -8.390
167 HH12 ARG 20 2HH1 ARG 20 -1.347 9.143 -9.195
168 HH21 ARG 20 1HH2 ARG 20 -2.582 8.538 -12.378
169 HH22 ARG 20 2HH2 ARG 20 -1.295 9.234 -11.452
170 H ARG 21 H ARG 21 -5.965 2.765 -7.584
171 HA ARG 21 HA ARG 21 -4.542 1.636 -9.867
172 HB2 ARG 21 2HB ARG 21 -3.831 0.201 -7.997
173 HB3 ARG 21 1HB ARG 21 -5.519 -0.097 -7.585
174 HG2 ARG 21 2HG ARG 21 -5.913 -1.192 -9.708
175 HG3 ARG 21 1HG ARG 21 -4.307 -0.744 -10.285
176 HD2 ARG 21 2HD ARG 21 -3.269 -2.133 -8.558
177 HD3 ARG 21 1HD ARG 21 -4.853 -2.532 -7.900
178 HE ARG 21 HE ARG 21 -4.925 -3.280 -10.572
179 HH11 ARG 21 1HH1 ARG 21 -3.069 -3.998 -7.741
180 HH12 ARG 21 2HH1 ARG 21 -2.722 -5.627 -8.214
181 HH21 ARG 21 1HH2 ARG 21 -4.475 -5.415 -11.198
182 HH22 ARG 21 2HH2 ARG 21 -3.517 -6.430 -10.170
Start of MODEL 11
1 H1 ASN 1 H ASN 1 7.847 7.750 -2.584
2 HA ASN 1 HA ASN 1 10.141 6.696 -3.252
3 HB2 ASN 1 2HB ASN 1 10.694 7.865 -0.514
4 HB3 ASN 1 1HB ASN 1 11.788 6.844 -1.447
5 HD21 ASN 1 1HD2 ASN 1 11.580 9.947 -0.608
6 HD22 ASN 1 2HD2 ASN 1 12.094 10.711 -2.033
7 H LEU 2 H LEU 2 7.959 6.927 -0.532
8 HA LEU 2 HA LEU 2 8.466 4.415 0.654
9 HB2 LEU 2 2HB LEU 2 6.050 6.216 0.612
10 HB3 LEU 2 1HB LEU 2 6.040 4.666 1.455
11 HG LEU 2 HG LEU 2 8.031 5.377 2.756
12 HD11 LEU 2 1HD1 LEU 2 8.460 7.943 2.629
13 HD12 LEU 2 2HD1 LEU 2 9.170 6.912 1.387
14 HD13 LEU 2 3HD1 LEU 2 7.705 7.831 1.039
15 HD21 LEU 2 1HD2 LEU 2 5.398 6.200 3.088
16 HD22 LEU 2 2HD2 LEU 2 6.673 6.330 4.300
17 HD23 LEU 2 3HD2 LEU 2 6.311 7.699 3.251
18 H CYS 3 H CYS 3 6.349 5.404 -1.996
19 HA CYS 3 HA CYS 3 5.342 2.684 -2.327
20 HB2 CYS 3 2HB CYS 3 4.757 5.273 -3.772
21 HB3 CYS 3 1HB CYS 3 4.060 3.719 -4.233
22 H ALA 4 H ALA 4 8.202 3.852 -2.955
23 HA ALA 4 HA ALA 4 8.649 3.596 -5.719
24 HB1 ALA 4 1HB ALA 4 10.467 3.113 -3.352
25 HB2 ALA 4 2HB ALA 4 11.022 3.078 -5.024
26 HB3 ALA 4 3HB ALA 4 10.363 4.566 -4.345
27 H SER 5 H SER 5 8.639 1.206 -3.110
28 HA SER 5 HA SER 5 9.123 -0.933 -5.070
29 HB2 SER 5 2HB SER 5 10.530 -1.050 -3.105
30 HB3 SER 5 1HB SER 5 9.132 -0.929 -2.041
31 HG SER 5 HG SER 5 8.994 -3.010 -2.211
32 H LEU 6 H LEU 6 7.490 -2.107 -5.820
33 HA LEU 6 HA LEU 6 4.801 -1.639 -5.296
34 HB2 LEU 6 2HB LEU 6 4.384 -3.814 -6.408
35 HB3 LEU 6 1HB LEU 6 5.550 -2.829 -7.290
36 HG LEU 6 HG LEU 6 7.199 -4.218 -5.591
37 HD11 LEU 6 1HD1 LEU 6 5.262 -6.300 -6.574
38 HD12 LEU 6 2HD1 LEU 6 6.509 -6.441 -5.332
39 HD13 LEU 6 3HD1 LEU 6 5.025 -5.551 -4.999
40 HD21 LEU 6 1HD2 LEU 6 7.559 -3.904 -7.986
41 HD22 LEU 6 2HD2 LEU 6 7.694 -5.619 -7.598
42 HD23 LEU 6 3HD2 LEU 6 6.228 -5.000 -8.356
43 H ARG 7 H ARG 7 7.081 -3.260 -3.377
44 HA ARG 7 HA ARG 7 5.522 -5.219 -2.105
45 HB2 ARG 7 2HB ARG 7 7.997 -4.977 -1.885
46 HB3 ARG 7 1HB ARG 7 7.726 -3.554 -0.870
47 HG2 ARG 7 2HG ARG 7 6.455 -4.914 0.732
48 HG3 ARG 7 1HG ARG 7 6.680 -6.339 -0.283
49 HD2 ARG 7 2HD ARG 7 8.338 -6.394 1.484
50 HD3 ARG 7 1HD ARG 7 9.157 -6.055 -0.039
51 HE ARG 7 HE ARG 7 8.442 -3.628 1.269
52 HH11 ARG 7 1HH1 ARG 7 10.632 -6.306 1.382
53 HH12 ARG 7 2HH1 ARG 7 11.902 -5.411 2.149
54 HH21 ARG 7 1HH2 ARG 7 10.101 -2.452 2.277
55 HH22 ARG 7 2HH2 ARG 7 11.602 -3.231 2.656
56 H ALA 8 H ALA 8 5.893 -1.760 -1.511
57 HA ALA 8 HA ALA 8 4.547 -1.606 0.941
58 HB1 ALA 8 1HB ALA 8 5.707 0.190 -0.852
59 HB2 ALA 8 2HB ALA 8 4.016 0.678 -0.765
60 HB3 ALA 8 3HB ALA 8 4.986 0.589 0.702
61 H ARG 9 H ARG 9 3.315 -1.351 -2.369
62 HA ARG 9 HA ARG 9 0.637 -0.798 -1.689
63 HB2 ARG 9 2HB ARG 9 1.844 -2.143 -4.112
64 HB3 ARG 9 1HB ARG 9 0.137 -1.710 -3.984
65 HG2 ARG 9 2HG ARG 9 0.736 0.640 -3.627
66 HG3 ARG 9 1HG ARG 9 2.449 0.229 -3.688
67 HD2 ARG 9 2HD ARG 9 1.759 1.096 -5.855
68 HD3 ARG 9 1HD ARG 9 2.131 -0.620 -6.005
69 HE ARG 9 HE ARG 9 -0.126 -1.028 -6.436
70 HH11 ARG 9 1HH1 ARG 9 0.395 2.179 -5.250
71 HH12 ARG 9 2HH1 ARG 9 -1.211 2.722 -5.605
72 HH21 ARG 9 1HH2 ARG 9 -2.233 -0.322 -6.917
73 HH22 ARG 9 2HH2 ARG 9 -2.697 1.305 -6.550
74 H HIS 10 H HIS 10 2.401 -3.813 -2.105
75 HA HIS 10 HA HIS 10 0.222 -5.581 -1.927
76 HB2 HIS 10 2HB HIS 10 3.160 -5.819 -1.374
77 HB3 HIS 10 1HB HIS 10 2.071 -7.171 -1.055
78 HD1 HIS 10 1HD HIS 10 3.099 -4.882 -3.919
79 HD2 HIS 10 2HD HIS 10 1.359 -8.621 -3.328
80 HE1 HIS 10 1HE HIS 10 2.859 -5.928 -6.211
81 HE2 HIS 10 2HE HIS 10 1.799 -8.210 -5.870
82 H THR 11 H THR 11 2.335 -4.220 0.592
83 HA THR 11 HA THR 11 0.503 -5.367 2.614
84 HB THR 11 HB THR 11 3.390 -4.586 3.007
85 HG1 THR 11 1HG THR 11 2.232 -6.780 1.912
86 HG21 THR 11 1HG2 THR 11 2.283 -6.553 4.811
87 HG22 THR 11 2HG2 THR 11 3.012 -4.991 5.187
88 HG23 THR 11 3HG2 THR 11 1.291 -5.098 4.822
89 H ILE 12 H ILE 12 2.757 -2.607 2.240
90 HA ILE 12 HA ILE 12 1.724 -1.119 4.363
91 HB ILE 12 HB ILE 12 2.974 -0.096 1.800
92 HG12 ILE 12 2HG1 ILE 12 4.235 -1.850 3.208
93 HG13 ILE 12 1HG1 ILE 12 5.080 -0.362 2.798
94 HG21 ILE 12 1HG2 ILE 12 3.763 1.713 3.462
95 HG22 ILE 12 2HG2 ILE 12 2.143 1.818 2.784
96 HG23 ILE 12 3HG2 ILE 12 2.372 1.217 4.428
97 HD11 ILE 12 1HD1 ILE 12 5.141 0.373 4.958
98 HD12 ILE 12 2HD1 ILE 12 3.567 -0.292 5.360
99 HD13 ILE 12 3HD1 ILE 12 4.980 -1.344 5.315
100 HA PRO 13 HA PRO 13 -2.150 -0.089 2.210
101 HB2 PRO 13 2HB PRO 13 -3.571 0.778 4.341
102 HB3 PRO 13 1HB PRO 13 -3.259 -0.947 4.059
103 HG2 PRO 13 2HG PRO 13 -1.939 0.928 5.952
104 HG3 PRO 13 1HG PRO 13 -2.386 -0.773 6.169
105 HD2 PRO 13 2HD PRO 13 0.174 0.110 5.562
106 HD3 PRO 13 1HD PRO 13 -0.427 -1.533 5.239
107 H GLN 14 H GLN 14 -0.079 1.931 4.069
108 HA GLN 14 HA GLN 14 -1.349 4.425 3.823
109 HB2 GLN 14 2HB GLN 14 0.560 4.086 5.304
110 HB3 GLN 14 1HB GLN 14 1.604 3.772 3.918
111 HG2 GLN 14 2HG GLN 14 1.381 5.999 3.115
112 HG3 GLN 14 1HG GLN 14 0.054 6.344 4.225
113 HE21 GLN 14 1HE2 GLN 14 3.513 5.301 4.352
114 HE22 GLN 14 2HE2 GLN 14 3.878 6.202 5.744
115 H CYS 15 H CYS 15 0.691 2.612 1.627
116 HA CYS 15 HA CYS 15 1.319 4.546 -0.253
117 HB2 CYS 15 2HB CYS 15 2.119 2.132 -0.196
118 HB3 CYS 15 1HB CYS 15 0.572 1.697 -0.927
119 H ARG 16 H ARG 16 -1.716 2.965 0.404
120 HA ARG 16 HA ARG 16 -3.028 3.356 -2.017
121 HB2 ARG 16 2HB ARG 16 -5.026 2.973 -0.856
122 HB3 ARG 16 1HB ARG 16 -3.818 2.147 0.129
123 HG2 ARG 16 2HG ARG 16 -3.656 4.323 1.482
124 HG3 ARG 16 1HG ARG 16 -5.122 4.827 0.650
125 HD2 ARG 16 2HD ARG 16 -4.864 2.255 2.231
126 HD3 ARG 16 1HD ARG 16 -5.561 3.742 2.863
127 HE ARG 16 HE ARG 16 -6.913 3.189 0.498
128 HH11 ARG 16 1HH1 ARG 16 -6.324 1.710 3.569
129 HH12 ARG 16 2HH1 ARG 16 -7.833 0.860 3.604
130 HH21 ARG 16 1HH2 ARG 16 -8.891 2.071 0.536
131 HH22 ARG 16 2HH2 ARG 16 -9.285 1.065 1.889
132 H LYS 17 H LYS 17 -2.599 5.552 0.725
133 HA LYS 17 HA LYS 17 -4.171 7.677 -0.351
134 HB2 LYS 17 2HB LYS 17 -2.034 7.592 1.779
135 HB3 LYS 17 1HB LYS 17 -2.936 9.053 1.376
136 HG2 LYS 17 2HG LYS 17 -5.065 7.746 1.787
137 HG3 LYS 17 1HG LYS 17 -4.066 6.439 2.413
138 HD2 LYS 17 2HD LYS 17 -3.950 9.260 3.500
139 HD3 LYS 17 1HD LYS 17 -5.023 8.028 4.157
140 HE2 LYS 17 2HE LYS 17 -1.994 7.862 4.020
141 HE3 LYS 17 1HE LYS 17 -2.956 8.125 5.463
142 HZ1 LYS 17 1HZ LYS 17 -4.103 5.945 4.769
143 HZ2 LYS 17 2HZ LYS 17 -2.707 5.686 3.836
144 HZ3 LYS 17 3HZ LYS 17 -2.579 5.870 5.517
145 H PHE 18 H PHE 18 -0.766 6.804 -0.424
146 HA PHE 18 HA PHE 18 0.256 9.144 -1.613
147 HB2 PHE 18 2HB PHE 18 1.718 7.458 -0.661
148 HB3 PHE 18 1HB PHE 18 1.194 6.284 -1.873
149 HD1 PHE 18 1HD PHE 18 2.234 6.191 -3.969
150 HD2 PHE 18 2HD PHE 18 2.737 9.657 -1.493
151 HE1 PHE 18 1HE PHE 18 3.895 7.099 -5.578
152 HE2 PHE 18 2HE PHE 18 4.400 10.564 -3.090
153 HZ PHE 18 HZ PHE 18 4.968 9.287 -5.128
154 H GLY 19 H GLY 19 -0.999 6.156 -3.108
155 HA2 GLY 19 2HA GLY 19 -0.824 7.420 -5.751
156 HA3 GLY 19 1HA GLY 19 -1.159 5.719 -5.434
157 H ARG 20 H ARG 20 -3.018 5.690 -6.715
158 HA ARG 20 HA ARG 20 -5.146 7.522 -6.595
159 HB2 ARG 20 2HB ARG 20 -4.802 5.796 -8.363
160 HB3 ARG 20 1HB ARG 20 -5.288 4.564 -7.199
161 HG2 ARG 20 2HG ARG 20 -7.476 5.652 -6.932
162 HG3 ARG 20 1HG ARG 20 -6.995 6.920 -8.059
163 HD2 ARG 20 2HD ARG 20 -6.691 5.203 -9.826
164 HD3 ARG 20 1HD ARG 20 -7.240 3.966 -8.698
165 HE ARG 20 HE ARG 20 -8.892 5.932 -10.056
166 HH11 ARG 20 1HH1 ARG 20 -8.546 3.705 -7.430
167 HH12 ARG 20 2HH1 ARG 20 -10.250 3.511 -7.189
168 HH21 ARG 20 1HH2 ARG 20 -11.125 5.687 -9.744
169 HH22 ARG 20 2HH2 ARG 20 -11.710 4.633 -8.500
170 H ARG 21 H ARG 21 -6.793 7.800 -5.191
171 HA ARG 21 HA ARG 21 -7.864 7.658 -3.140
172 HB2 ARG 21 2HB ARG 21 -8.244 5.109 -4.614
173 HB3 ARG 21 1HB ARG 21 -8.715 5.107 -2.916
174 HG2 ARG 21 2HG ARG 21 -9.592 7.385 -4.665
175 HG3 ARG 21 1HG ARG 21 -10.448 5.846 -4.764
176 HD2 ARG 21 2HD ARG 21 -9.969 7.391 -2.197
177 HD3 ARG 21 1HD ARG 21 -11.477 7.390 -3.105
178 HE ARG 21 HE ARG 21 -10.896 4.726 -2.628
179 HH11 ARG 21 1HH1 ARG 21 -11.403 7.608 -0.776
180 HH12 ARG 21 2HH1 ARG 21 -12.056 6.774 0.595
181 HH21 ARG 21 1HH2 ARG 21 -11.741 3.630 -0.834
182 HH22 ARG 21 2HH2 ARG 21 -12.248 4.522 0.562
Start of MODEL 12
1 H1 ASN 1 H ASN 1 11.607 4.007 1.240
2 HA ASN 1 HA ASN 1 10.933 1.752 1.823
3 HB2 ASN 1 2HB ASN 1 10.286 1.231 4.107
4 HB3 ASN 1 1HB ASN 1 11.885 1.974 4.109
5 HD21 ASN 1 1HD2 ASN 1 10.953 2.324 6.505
6 HD22 ASN 1 2HD2 ASN 1 10.177 3.812 6.751
7 H LEU 2 H LEU 2 9.650 4.655 1.413
8 HA LEU 2 HA LEU 2 6.865 3.791 1.862
9 HB2 LEU 2 2HB LEU 2 7.493 5.917 2.951
10 HB3 LEU 2 1HB LEU 2 7.972 6.571 1.388
11 HG LEU 2 HG LEU 2 5.648 6.242 0.553
12 HD11 LEU 2 1HD1 LEU 2 4.645 4.535 1.744
13 HD12 LEU 2 2HD1 LEU 2 5.379 5.021 3.269
14 HD13 LEU 2 3HD1 LEU 2 4.005 5.917 2.629
15 HD21 LEU 2 1HD2 LEU 2 6.150 8.417 1.400
16 HD22 LEU 2 2HD2 LEU 2 4.585 7.966 2.075
17 HD23 LEU 2 3HD2 LEU 2 6.037 7.864 3.070
18 H CYS 3 H CYS 3 5.813 3.080 0.131
19 HA CYS 3 HA CYS 3 5.315 2.629 -2.082
20 HB2 CYS 3 2HB CYS 3 5.882 5.572 -2.415
21 HB3 CYS 3 1HB CYS 3 4.823 4.571 -3.406
22 H ALA 4 H ALA 4 8.160 2.452 -1.246
23 HA ALA 4 HA ALA 4 9.854 3.418 -3.286
24 HB1 ALA 4 1HB ALA 4 10.086 1.748 -0.966
25 HB2 ALA 4 2HB ALA 4 10.906 0.973 -2.322
26 HB3 ALA 4 3HB ALA 4 11.355 2.609 -1.836
27 H SER 5 H SER 5 8.046 0.398 -2.934
28 HA SER 5 HA SER 5 8.311 -0.055 -5.813
29 HB2 SER 5 2HB SER 5 9.049 -2.346 -5.546
30 HB3 SER 5 1HB SER 5 10.185 -1.285 -4.721
31 HG SER 5 HG SER 5 8.838 -3.304 -3.716
32 H LEU 6 H LEU 6 6.856 -1.836 -6.546
33 HA LEU 6 HA LEU 6 4.229 -1.449 -5.794
34 HB2 LEU 6 2HB LEU 6 3.738 -3.577 -6.942
35 HB3 LEU 6 1HB LEU 6 4.871 -2.591 -7.866
36 HG LEU 6 HG LEU 6 6.549 -4.057 -6.236
37 HD11 LEU 6 1HD1 LEU 6 4.417 -5.946 -7.261
38 HD12 LEU 6 2HD1 LEU 6 5.820 -6.344 -6.267
39 HD13 LEU 6 3HD1 LEU 6 4.494 -5.402 -5.587
40 HD21 LEU 6 1HD2 LEU 6 6.950 -5.396 -8.342
41 HD22 LEU 6 2HD2 LEU 6 5.542 -4.599 -9.045
42 HD23 LEU 6 3HD2 LEU 6 6.955 -3.649 -8.587
43 H ARG 7 H ARG 7 6.658 -3.362 -4.245
44 HA ARG 7 HA ARG 7 5.078 -5.196 -2.826
45 HB2 ARG 7 2HB ARG 7 7.575 -5.242 -2.967
46 HB3 ARG 7 1HB ARG 7 7.617 -3.871 -1.852
47 HG2 ARG 7 2HG ARG 7 6.429 -5.186 -0.155
48 HG3 ARG 7 1HG ARG 7 6.338 -6.556 -1.263
49 HD2 ARG 7 2HD ARG 7 8.803 -6.654 -1.343
50 HD3 ARG 7 1HD ARG 7 8.893 -5.295 -0.228
51 HE ARG 7 HE ARG 7 7.311 -7.343 0.921
52 HH11 ARG 7 1HH1 ARG 7 10.565 -6.585 0.017
53 HH12 ARG 7 2HH1 ARG 7 11.283 -7.582 1.239
54 HH21 ARG 7 1HH2 ARG 7 8.244 -8.651 2.526
55 HH22 ARG 7 2HH2 ARG 7 9.969 -8.751 2.659
56 H ALA 8 H ALA 8 5.848 -1.812 -2.218
57 HA ALA 8 HA ALA 8 4.972 -1.623 0.428
58 HB1 ALA 8 1HB ALA 8 6.179 0.207 -0.457
59 HB2 ALA 8 2HB ALA 8 5.061 0.364 -1.808
60 HB3 ALA 8 3HB ALA 8 4.540 0.807 -0.180
61 H ARG 9 H ARG 9 3.199 -0.982 -2.572
62 HA ARG 9 HA ARG 9 0.720 -0.371 -1.399
63 HB2 ARG 9 2HB ARG 9 1.417 -1.499 -4.114
64 HB3 ARG 9 1HB ARG 9 -0.222 -1.039 -3.654
65 HG2 ARG 9 2HG ARG 9 0.490 1.251 -3.231
66 HG3 ARG 9 1HG ARG 9 2.172 0.820 -3.534
67 HD2 ARG 9 2HD ARG 9 1.234 1.875 -5.525
68 HD3 ARG 9 1HD ARG 9 1.572 0.194 -5.849
69 HE ARG 9 HE ARG 9 -1.111 1.364 -5.425
70 HH11 ARG 9 1HH1 ARG 9 0.953 -1.265 -6.353
71 HH12 ARG 9 2HH1 ARG 9 -0.315 -2.190 -7.061
72 HH21 ARG 9 1HH2 ARG 9 -2.783 0.140 -6.355
73 HH22 ARG 9 2HH2 ARG 9 -2.428 -1.402 -7.063
74 H HIS 10 H HIS 10 2.190 -3.440 -2.289
75 HA HIS 10 HA HIS 10 -0.069 -5.081 -2.049
76 HB2 HIS 10 2HB HIS 10 2.867 -5.612 -1.641
77 HB3 HIS 10 1HB HIS 10 1.659 -6.883 -1.506
78 HD1 HIS 10 1HD HIS 10 3.193 -7.709 -3.705
79 HD2 HIS 10 2HD HIS 10 0.541 -4.541 -4.261
80 HE1 HIS 10 1HE HIS 10 2.812 -7.523 -6.203
81 HE2 HIS 10 2HE HIS 10 1.198 -5.596 -6.557
82 H THR 11 H THR 11 2.233 -3.931 0.369
83 HA THR 11 HA THR 11 0.484 -5.085 2.467
84 HB THR 11 HB THR 11 3.471 -4.593 2.518
85 HG1 THR 11 1HG THR 11 3.172 -6.481 1.534
86 HG21 THR 11 1HG2 THR 11 1.481 -5.375 4.643
87 HG22 THR 11 2HG2 THR 11 3.177 -5.849 4.762
88 HG23 THR 11 3HG2 THR 11 2.741 -4.141 4.714
89 H ILE 12 H ILE 12 2.991 -2.567 2.181
90 HA ILE 12 HA ILE 12 2.242 -0.968 4.232
91 HB ILE 12 HB ILE 12 3.241 0.062 1.617
92 HG12 ILE 12 2HG1 ILE 12 4.593 -1.813 2.520
93 HG13 ILE 12 1HG1 ILE 12 5.461 -0.275 2.607
94 HG21 ILE 12 1HG2 ILE 12 4.271 1.773 3.105
95 HG22 ILE 12 2HG2 ILE 12 2.511 1.870 3.010
96 HG23 ILE 12 3HG2 ILE 12 3.279 1.143 4.425
97 HD11 ILE 12 1HD1 ILE 12 4.366 -0.185 5.031
98 HD12 ILE 12 2HD1 ILE 12 4.231 -1.917 4.804
99 HD13 ILE 12 3HD1 ILE 12 5.804 -1.141 4.755
100 HA PRO 13 HA PRO 13 -1.824 0.201 2.593
101 HB2 PRO 13 2HB PRO 13 -2.864 1.065 4.953
102 HB3 PRO 13 1HB PRO 13 -2.741 -0.653 4.527
103 HG2 PRO 13 2HG PRO 13 -1.062 0.973 6.353
104 HG3 PRO 13 1HG PRO 13 -1.537 -0.728 6.461
105 HD2 PRO 13 2HD PRO 13 0.922 0.204 5.591
106 HD3 PRO 13 1HD PRO 13 0.257 -1.422 5.270
107 H GLN 14 H GLN 14 0.506 2.140 4.249
108 HA GLN 14 HA GLN 14 -0.775 4.648 4.204
109 HB2 GLN 14 2HB GLN 14 2.159 3.913 4.083
110 HB3 GLN 14 1HB GLN 14 1.565 5.559 4.279
111 HG2 GLN 14 2HG GLN 14 0.378 4.910 6.329
112 HG3 GLN 14 1HG GLN 14 0.929 3.247 6.131
113 HE21 GLN 14 1HE2 GLN 14 2.611 2.846 7.566
114 HE22 GLN 14 2HE2 GLN 14 3.859 3.938 7.932
115 H CYS 15 H CYS 15 1.051 2.881 1.771
116 HA CYS 15 HA CYS 15 1.352 5.006 -0.073
117 HB2 CYS 15 2HB CYS 15 1.464 2.011 -0.288
118 HB3 CYS 15 1HB CYS 15 1.543 3.019 -1.739
119 H ARG 16 H ARG 16 -1.388 3.297 0.918
120 HA ARG 16 HA ARG 16 -2.876 3.150 -1.471
121 HB2 ARG 16 2HB ARG 16 -4.728 2.676 -0.113
122 HB3 ARG 16 1HB ARG 16 -3.369 2.146 0.872
123 HG2 ARG 16 2HG ARG 16 -3.392 4.473 1.932
124 HG3 ARG 16 1HG ARG 16 -4.931 4.728 1.124
125 HD2 ARG 16 2HD ARG 16 -4.423 2.381 2.948
126 HD3 ARG 16 1HD ARG 16 -5.147 3.891 3.481
127 HE ARG 16 HE ARG 16 -6.388 1.861 1.802
128 HH11 ARG 16 1HH1 ARG 16 -6.382 5.113 2.990
129 HH12 ARG 16 2HH1 ARG 16 -8.066 5.375 2.682
130 HH21 ARG 16 1HH2 ARG 16 -8.598 2.200 1.395
131 HH22 ARG 16 2HH2 ARG 16 -9.321 3.725 1.780
132 H LYS 17 H LYS 17 -2.286 5.767 0.801
133 HA LYS 17 HA LYS 17 -4.322 7.520 -0.097
134 HB2 LYS 17 2HB LYS 17 -1.671 8.011 1.270
135 HB3 LYS 17 1HB LYS 17 -2.828 9.294 0.925
136 HG2 LYS 17 2HG LYS 17 -3.808 6.834 2.320
137 HG3 LYS 17 1HG LYS 17 -2.884 8.013 3.251
138 HD2 LYS 17 2HD LYS 17 -4.451 9.794 2.512
139 HD3 LYS 17 1HD LYS 17 -5.394 8.588 1.641
140 HE2 LYS 17 2HE LYS 17 -5.824 7.387 3.743
141 HE3 LYS 17 1HE LYS 17 -4.859 8.572 4.623
142 HZ1 LYS 17 1HZ LYS 17 -6.610 10.098 3.225
143 HZ2 LYS 17 2HZ LYS 17 -7.559 8.760 3.668
144 HZ3 LYS 17 3HZ LYS 17 -6.766 9.669 4.862
145 H PHE 18 H PHE 18 -0.956 7.052 -1.082
146 HA PHE 18 HA PHE 18 -0.899 9.219 -2.934
147 HB2 PHE 18 2HB PHE 18 0.813 6.781 -2.510
148 HB3 PHE 18 1HB PHE 18 1.091 7.870 -3.870
149 HD1 PHE 18 1HD PHE 18 0.907 7.677 -0.162
150 HD2 PHE 18 2HD PHE 18 2.084 10.021 -3.564
151 HE1 PHE 18 1HE PHE 18 2.109 9.247 1.335
152 HE2 PHE 18 2HE PHE 18 3.286 11.591 -2.067
153 HZ PHE 18 HZ PHE 18 3.292 11.202 0.379
154 H GLY 19 H GLY 19 -1.616 5.764 -3.204
155 HA2 GLY 19 2HA GLY 19 -2.882 4.645 -4.789
156 HA3 GLY 19 1HA GLY 19 -3.185 6.188 -5.580
157 H ARG 20 H ARG 20 -2.840 4.466 -7.405
158 HA ARG 20 HA ARG 20 -0.064 4.806 -8.328
159 HB2 ARG 20 2HB ARG 20 -0.304 2.507 -7.412
160 HB3 ARG 20 1HB ARG 20 -1.614 2.216 -8.555
161 HG2 ARG 20 2HG ARG 20 -0.100 2.625 -10.437
162 HG3 ARG 20 1HG ARG 20 1.216 2.993 -9.321
163 HD2 ARG 20 2HD ARG 20 1.492 0.707 -10.030
164 HD3 ARG 20 1HD ARG 20 0.933 0.680 -8.361
165 HE ARG 20 HE ARG 20 -1.082 -0.249 -9.089
166 HH11 ARG 20 1HH1 ARG 20 0.842 0.900 -11.725
167 HH12 ARG 20 2HH1 ARG 20 -0.137 0.157 -12.946
168 HH21 ARG 20 1HH2 ARG 20 -2.371 -1.228 -10.684
169 HH22 ARG 20 2HH2 ARG 20 -1.956 -1.049 -12.356
170 H ARG 21 H ARG 21 0.049 5.538 -10.361
171 HA ARG 21 HA ARG 21 -2.135 5.002 -12.237
172 HB2 ARG 21 2HB ARG 21 -1.343 7.730 -11.243
173 HB3 ARG 21 1HB ARG 21 -2.036 7.516 -12.852
174 HG2 ARG 21 2HG ARG 21 -4.008 6.423 -11.884
175 HG3 ARG 21 1HG ARG 21 -3.313 6.572 -10.270
176 HD2 ARG 21 2HD ARG 21 -3.831 8.953 -12.061
177 HD3 ARG 21 1HD ARG 21 -5.006 8.364 -10.888
178 HE ARG 21 HE ARG 21 -2.599 8.712 -9.518
179 HH11 ARG 21 1HH1 ARG 21 -4.892 10.586 -11.308
180 HH12 ARG 21 2HH1 ARG 21 -4.607 12.042 -10.416
181 HH21 ARG 21 1HH2 ARG 21 -2.220 10.618 -8.342
182 HH22 ARG 21 2HH2 ARG 21 -3.094 12.061 -8.736
Start of MODEL 13
1 H1 ASN 1 H ASN 1 7.570 2.035 4.927
2 HA ASN 1 HA ASN 1 9.050 3.773 4.213
3 HB2 ASN 1 2HB ASN 1 10.133 1.462 4.493
4 HB3 ASN 1 1HB ASN 1 10.146 1.390 2.732
5 HD21 ASN 1 1HD2 ASN 1 12.458 1.595 2.509
6 HD22 ASN 1 2HD2 ASN 1 13.283 3.019 2.925
7 H LEU 2 H LEU 2 7.507 4.923 2.805
8 HA LEU 2 HA LEU 2 6.996 5.975 0.829
9 HB2 LEU 2 2HB LEU 2 9.754 5.614 0.834
10 HB3 LEU 2 1HB LEU 2 9.247 4.994 -0.738
11 HG LEU 2 HG LEU 2 7.898 7.109 -1.040
12 HD11 LEU 2 1HD1 LEU 2 7.707 8.579 0.654
13 HD12 LEU 2 2HD1 LEU 2 8.608 7.467 1.681
14 HD13 LEU 2 3HD1 LEU 2 9.461 8.715 0.774
15 HD21 LEU 2 1HD2 LEU 2 10.124 6.784 -2.077
16 HD22 LEU 2 2HD2 LEU 2 9.858 8.471 -1.640
17 HD23 LEU 2 3HD2 LEU 2 10.887 7.450 -0.634
18 H CYS 3 H CYS 3 6.743 5.537 -1.619
19 HA CYS 3 HA CYS 3 5.698 2.794 -1.926
20 HB2 CYS 3 2HB CYS 3 4.946 5.382 -3.297
21 HB3 CYS 3 1HB CYS 3 4.318 3.801 -3.764
22 H ALA 4 H ALA 4 8.506 3.658 -2.337
23 HA ALA 4 HA ALA 4 9.140 3.909 -5.064
24 HB1 ALA 4 1HB ALA 4 10.553 3.460 -2.595
25 HB2 ALA 4 2HB ALA 4 11.194 2.405 -3.854
26 HB3 ALA 4 3HB ALA 4 11.147 4.150 -4.105
27 H SER 5 H SER 5 8.602 1.051 -3.042
28 HA SER 5 HA SER 5 8.848 -0.645 -5.454
29 HB2 SER 5 2HB SER 5 9.213 -2.507 -3.898
30 HB3 SER 5 1HB SER 5 10.394 -1.226 -3.632
31 HG SER 5 HG SER 5 8.017 -1.038 -2.213
32 H LEU 6 H LEU 6 7.240 -2.137 -5.925
33 HA LEU 6 HA LEU 6 4.577 -1.380 -5.320
34 HB2 LEU 6 2HB LEU 6 3.956 -3.465 -6.509
35 HB3 LEU 6 1HB LEU 6 5.131 -2.518 -7.407
36 HG LEU 6 HG LEU 6 6.759 -4.097 -5.860
37 HD11 LEU 6 1HD1 LEU 6 5.886 -6.389 -6.159
38 HD12 LEU 6 2HD1 LEU 6 4.879 -5.443 -5.070
39 HD13 LEU 6 3HD1 LEU 6 4.362 -5.733 -6.735
40 HD21 LEU 6 1HD2 LEU 6 7.177 -3.695 -8.183
41 HD22 LEU 6 2HD2 LEU 6 6.982 -5.440 -8.017
42 HD23 LEU 6 3HD2 LEU 6 5.660 -4.463 -8.655
43 H ARG 7 H ARG 7 6.844 -3.191 -3.589
44 HA ARG 7 HA ARG 7 5.247 -5.129 -2.327
45 HB2 ARG 7 2HB ARG 7 7.724 -5.057 -2.201
46 HB3 ARG 7 1HB ARG 7 7.605 -3.636 -1.158
47 HG2 ARG 7 2HG ARG 7 6.364 -4.917 0.513
48 HG3 ARG 7 1HG ARG 7 6.361 -6.333 -0.540
49 HD2 ARG 7 2HD ARG 7 8.822 -6.415 -0.447
50 HD3 ARG 7 1HD ARG 7 8.837 -4.990 0.587
51 HE ARG 7 HE ARG 7 8.192 -6.338 2.376
52 HH11 ARG 7 1HH1 ARG 7 7.806 -7.965 -0.651
53 HH12 ARG 7 2HH1 ARG 7 7.480 -9.510 0.060
54 HH21 ARG 7 1HH2 ARG 7 7.769 -8.366 3.321
55 HH22 ARG 7 2HH2 ARG 7 7.460 -9.736 2.309
56 H ALA 8 H ALA 8 5.808 -1.716 -1.609
57 HA ALA 8 HA ALA 8 4.593 -1.612 0.915
58 HB1 ALA 8 1HB ALA 8 5.864 0.261 0.183
59 HB2 ALA 8 2HB ALA 8 4.899 0.429 -1.282
60 HB3 ALA 8 3HB ALA 8 4.202 0.826 0.286
61 H ARG 9 H ARG 9 3.200 -1.074 -2.303
62 HA ARG 9 HA ARG 9 0.577 -0.531 -1.424
63 HB2 ARG 9 2HB ARG 9 1.621 -1.642 -4.034
64 HB3 ARG 9 1HB ARG 9 -0.074 -1.232 -3.766
65 HG2 ARG 9 2HG ARG 9 0.520 1.081 -3.260
66 HG3 ARG 9 1HG ARG 9 2.237 0.695 -3.394
67 HD2 ARG 9 2HD ARG 9 1.928 0.092 -5.759
68 HD3 ARG 9 1HD ARG 9 0.208 0.451 -5.633
69 HE ARG 9 HE ARG 9 1.548 2.750 -4.816
70 HH11 ARG 9 1HH1 ARG 9 1.312 0.734 -7.618
71 HH12 ARG 9 2HH1 ARG 9 1.606 2.020 -8.739
72 HH21 ARG 9 1HH2 ARG 9 1.937 4.443 -6.281
73 HH22 ARG 9 2HH2 ARG 9 1.960 4.120 -7.982
74 H HIS 10 H HIS 10 2.238 -3.539 -2.205
75 HA HIS 10 HA HIS 10 0.029 -5.274 -2.140
76 HB2 HIS 10 2HB HIS 10 2.308 -5.873 -2.941
77 HB3 HIS 10 1HB HIS 10 2.850 -5.888 -1.260
78 HD1 HIS 10 1HD HIS 10 1.748 -7.717 0.322
79 HD2 HIS 10 2HD HIS 10 0.858 -8.159 -3.729
80 HE1 HIS 10 1HE HIS 10 0.800 -10.049 0.047
81 HE2 HIS 10 2HE HIS 10 0.253 -10.335 -2.417
82 H THR 11 H THR 11 2.271 -4.333 0.453
83 HA THR 11 HA THR 11 0.404 -5.537 2.406
84 HB THR 11 HB THR 11 3.340 -4.867 2.654
85 HG1 THR 11 1HG THR 11 3.620 -7.020 2.509
86 HG21 THR 11 1HG2 THR 11 2.874 -4.779 4.865
87 HG22 THR 11 2HG2 THR 11 1.252 -5.432 4.634
88 HG23 THR 11 3HG2 THR 11 2.633 -6.522 4.750
89 H ILE 12 H ILE 12 2.750 -2.847 2.223
90 HA ILE 12 HA ILE 12 1.724 -1.472 4.408
91 HB ILE 12 HB ILE 12 3.063 -0.214 2.019
92 HG12 ILE 12 2HG1 ILE 12 4.262 -2.208 3.098
93 HG13 ILE 12 1HG1 ILE 12 5.154 -0.696 2.974
94 HG21 ILE 12 1HG2 ILE 12 3.944 1.296 3.879
95 HG22 ILE 12 2HG2 ILE 12 2.267 1.521 3.380
96 HG23 ILE 12 3HG2 ILE 12 2.633 0.637 4.857
97 HD11 ILE 12 1HD1 ILE 12 5.165 -0.357 5.255
98 HD12 ILE 12 2HD1 ILE 12 3.595 -1.095 5.491
99 HD13 ILE 12 3HD1 ILE 12 5.008 -2.114 5.273
100 HA PRO 13 HA PRO 13 -2.085 -0.145 2.359
101 HB2 PRO 13 2HB PRO 13 -3.430 0.668 4.564
102 HB3 PRO 13 1HB PRO 13 -3.212 -1.045 4.160
103 HG2 PRO 13 2HG PRO 13 -1.788 0.624 6.163
104 HG3 PRO 13 1HG PRO 13 -2.298 -1.069 6.254
105 HD2 PRO 13 2HD PRO 13 0.281 -0.231 5.686
106 HD3 PRO 13 1HD PRO 13 -0.387 -1.834 5.266
107 H GLN 14 H GLN 14 0.025 1.754 4.343
108 HA GLN 14 HA GLN 14 -1.243 4.265 4.174
109 HB2 GLN 14 2HB GLN 14 1.676 3.517 4.442
110 HB3 GLN 14 1HB GLN 14 1.077 5.170 4.559
111 HG2 GLN 14 2HG GLN 14 -0.384 4.533 6.425
112 HG3 GLN 14 1HG GLN 14 0.159 2.860 6.297
113 HE21 GLN 14 1HE2 GLN 14 1.305 2.674 8.282
114 HE22 GLN 14 2HE2 GLN 14 2.645 3.638 8.675
115 H CYS 15 H CYS 15 0.705 2.469 1.909
116 HA CYS 15 HA CYS 15 1.461 4.534 0.163
117 HB2 CYS 15 2HB CYS 15 2.273 2.137 0.127
118 HB3 CYS 15 1HB CYS 15 0.750 1.719 -0.659
119 H ARG 16 H ARG 16 -1.612 3.171 0.821
120 HA ARG 16 HA ARG 16 -2.939 3.419 -1.614
121 HB2 ARG 16 2HB ARG 16 -4.967 3.464 -0.343
122 HB3 ARG 16 1HB ARG 16 -3.834 2.438 0.541
123 HG2 ARG 16 2HG ARG 16 -3.211 4.511 1.899
124 HG3 ARG 16 1HG ARG 16 -4.594 5.306 1.155
125 HD2 ARG 16 2HD ARG 16 -6.081 3.530 2.007
126 HD3 ARG 16 1HD ARG 16 -4.704 2.755 2.782
127 HE ARG 16 HE ARG 16 -4.908 5.471 3.610
128 HH11 ARG 16 1HH1 ARG 16 -6.345 2.344 3.954
129 HH12 ARG 16 2HH1 ARG 16 -6.948 2.643 5.549
130 HH21 ARG 16 1HH2 ARG 16 -5.696 5.874 5.700
131 HH22 ARG 16 2HH2 ARG 16 -6.580 4.643 6.538
132 H LYS 17 H LYS 17 -1.985 5.859 0.718
133 HA LYS 17 HA LYS 17 -3.608 7.983 -0.190
134 HB2 LYS 17 2HB LYS 17 -0.919 7.925 1.185
135 HB3 LYS 17 1HB LYS 17 -1.787 9.420 0.848
136 HG2 LYS 17 2HG LYS 17 -3.222 7.188 2.252
137 HG3 LYS 17 1HG LYS 17 -2.101 8.193 3.169
138 HD2 LYS 17 2HD LYS 17 -3.335 10.219 2.404
139 HD3 LYS 17 1HD LYS 17 -4.493 9.179 1.578
140 HE2 LYS 17 2HE LYS 17 -5.080 8.111 3.714
141 HE3 LYS 17 1HE LYS 17 -3.906 9.126 4.552
142 HZ1 LYS 17 1HZ LYS 17 -5.161 11.068 3.597
143 HZ2 LYS 17 2HZ LYS 17 -6.383 9.969 3.167
144 HZ3 LYS 17 3HZ LYS 17 -5.974 10.183 4.799
145 H PHE 18 H PHE 18 -0.377 6.889 -1.150
146 HA PHE 18 HA PHE 18 0.109 9.007 -2.984
147 HB2 PHE 18 2HB PHE 18 1.302 6.274 -2.582
148 HB3 PHE 18 1HB PHE 18 1.788 7.293 -3.938
149 HD1 PHE 18 1HD PHE 18 1.721 6.990 -0.255
150 HD2 PHE 18 2HD PHE 18 3.033 9.338 -3.604
151 HE1 PHE 18 1HE PHE 18 3.204 8.300 1.241
152 HE2 PHE 18 2HE PHE 18 4.515 10.645 -2.109
153 HZ PHE 18 HZ PHE 18 4.597 10.127 0.310
154 H GLY 19 H GLY 19 -1.303 5.781 -3.284
155 HA2 GLY 19 2HA GLY 19 -1.484 5.679 -6.096
156 HA3 GLY 19 1HA GLY 19 -2.497 4.773 -4.976
157 H ARG 20 H ARG 20 -3.716 6.917 -3.640
158 HA ARG 20 HA ARG 20 -4.975 8.631 -5.613
159 HB2 ARG 20 2HB ARG 20 -7.241 7.810 -5.203
160 HB3 ARG 20 1HB ARG 20 -6.236 6.514 -5.849
161 HG2 ARG 20 2HG ARG 20 -5.818 5.754 -3.487
162 HG3 ARG 20 1HG ARG 20 -6.998 6.948 -2.948
163 HD2 ARG 20 2HD ARG 20 -8.131 4.821 -3.178
164 HD3 ARG 20 1HD ARG 20 -8.684 5.884 -4.469
165 HE ARG 20 HE ARG 20 -7.649 4.476 -6.010
166 HH11 ARG 20 1HH1 ARG 20 -6.628 3.786 -2.775
167 HH12 ARG 20 2HH1 ARG 20 -5.791 2.331 -3.204
168 HH21 ARG 20 1HH2 ARG 20 -6.552 2.570 -6.578
169 HH22 ARG 20 2HH2 ARG 20 -5.747 1.643 -5.356
170 H ARG 21 H ARG 21 -6.513 10.137 -4.606
171 HA ARG 21 HA ARG 21 -6.920 11.756 -3.027
172 HB2 ARG 21 2HB ARG 21 -7.018 9.177 -1.488
173 HB3 ARG 21 1HB ARG 21 -7.225 10.713 -0.649
174 HG2 ARG 21 2HG ARG 21 -8.823 10.179 -3.134
175 HG3 ARG 21 1HG ARG 21 -9.328 9.446 -1.613
176 HD2 ARG 21 2HD ARG 21 -9.406 11.665 -0.556
177 HD3 ARG 21 1HD ARG 21 -8.874 12.416 -2.053
178 HE ARG 21 HE ARG 21 -11.524 11.341 -1.495
179 HH11 ARG 21 1HH1 ARG 21 -9.211 12.458 -3.817
180 HH12 ARG 21 2HH1 ARG 21 -10.398 12.835 -5.020
181 HH21 ARG 21 1HH2 ARG 21 -13.082 11.837 -3.066
182 HH22 ARG 21 2HH2 ARG 21 -12.588 12.483 -4.596
Start of MODEL 14
1 H1 ASN 1 H ASN 1 13.233 -0.942 0.917
2 HA ASN 1 HA ASN 1 10.478 -1.302 1.913
3 HB2 ASN 1 2HB ASN 1 12.661 -1.413 3.389
4 HB3 ASN 1 1HB ASN 1 12.519 0.343 3.353
5 HD21 ASN 1 1HD2 ASN 1 12.165 -0.979 5.809
6 HD22 ASN 1 2HD2 ASN 1 10.530 -0.905 6.260
7 H LEU 2 H LEU 2 10.701 0.090 -0.468
8 HA LEU 2 HA LEU 2 10.344 2.916 0.330
9 HB2 LEU 2 2HB LEU 2 10.923 1.754 -2.407
10 HB3 LEU 2 1HB LEU 2 10.773 3.469 -2.025
11 HG LEU 2 HG LEU 2 12.833 1.581 -0.838
12 HD11 LEU 2 1HD1 LEU 2 13.015 3.724 -2.971
13 HD12 LEU 2 2HD1 LEU 2 14.421 3.032 -2.164
14 HD13 LEU 2 3HD1 LEU 2 13.376 2.008 -3.147
15 HD21 LEU 2 1HD2 LEU 2 12.047 4.419 -0.316
16 HD22 LEU 2 2HD2 LEU 2 12.658 3.198 0.802
17 HD23 LEU 2 3HD2 LEU 2 13.768 4.032 -0.287
18 H CYS 3 H CYS 3 8.495 3.987 -0.181
19 HA CYS 3 HA CYS 3 6.101 2.541 -0.387
20 HB2 CYS 3 2HB CYS 3 6.249 4.827 0.534
21 HB3 CYS 3 1HB CYS 3 6.571 5.445 -1.086
22 H ALA 4 H ALA 4 8.097 4.094 -2.830
23 HA ALA 4 HA ALA 4 6.352 3.950 -5.012
24 HB1 ALA 4 1HB ALA 4 8.645 5.085 -4.864
25 HB2 ALA 4 2HB ALA 4 9.324 3.494 -5.214
26 HB3 ALA 4 3HB ALA 4 8.257 4.275 -6.382
27 H SER 5 H SER 5 8.472 1.513 -3.583
28 HA SER 5 HA SER 5 8.379 -0.409 -5.624
29 HB2 SER 5 2HB SER 5 8.537 -0.801 -2.631
30 HB3 SER 5 1HB SER 5 8.887 -2.039 -3.832
31 HG SER 5 HG SER 5 10.803 -1.207 -3.924
32 H LEU 6 H LEU 6 6.956 -2.005 -6.158
33 HA LEU 6 HA LEU 6 4.219 -1.648 -5.656
34 HB2 LEU 6 2HB LEU 6 3.956 -3.902 -6.674
35 HB3 LEU 6 1HB LEU 6 4.997 -2.846 -7.623
36 HG LEU 6 HG LEU 6 6.650 -4.165 -5.728
37 HD11 LEU 6 1HD1 LEU 6 6.266 -6.518 -6.478
38 HD12 LEU 6 2HD1 LEU 6 4.965 -5.884 -5.476
39 HD13 LEU 6 3HD1 LEU 6 4.760 -6.000 -7.226
40 HD21 LEU 6 1HD2 LEU 6 6.305 -4.640 -8.706
41 HD22 LEU 6 2HD2 LEU 6 7.257 -3.333 -8.001
42 HD23 LEU 6 3HD2 LEU 6 7.740 -5.010 -7.750
43 H ARG 7 H ARG 7 6.659 -3.449 -3.942
44 HA ARG 7 HA ARG 7 5.082 -5.249 -2.499
45 HB2 ARG 7 2HB ARG 7 7.559 -5.266 -2.510
46 HB3 ARG 7 1HB ARG 7 7.554 -3.790 -1.542
47 HG2 ARG 7 2HG ARG 7 6.392 -4.929 0.272
48 HG3 ARG 7 1HG ARG 7 6.255 -6.395 -0.696
49 HD2 ARG 7 2HD ARG 7 8.690 -6.620 -0.751
50 HD3 ARG 7 1HD ARG 7 8.870 -5.111 0.139
51 HE ARG 7 HE ARG 7 8.291 -6.243 2.094
52 HH11 ARG 7 1HH1 ARG 7 7.627 -8.140 -0.724
53 HH12 ARG 7 2HH1 ARG 7 7.292 -9.590 0.162
54 HH21 ARG 7 1HH2 ARG 7 7.854 -8.139 3.261
55 HH22 ARG 7 2HH2 ARG 7 7.421 -9.589 2.419
56 H ALA 8 H ALA 8 5.780 -1.835 -1.940
57 HA ALA 8 HA ALA 8 4.713 -1.605 0.644
58 HB1 ALA 8 1HB ALA 8 4.196 0.713 -1.038
59 HB2 ALA 8 2HB ALA 8 5.229 0.557 0.383
60 HB3 ALA 8 3HB ALA 8 5.844 0.109 -1.207
61 H ARG 9 H ARG 9 3.184 -1.420 -2.508
62 HA ARG 9 HA ARG 9 0.650 -0.529 -1.717
63 HB2 ARG 9 2HB ARG 9 1.386 -2.420 -3.965
64 HB3 ARG 9 1HB ARG 9 -0.184 -1.640 -3.782
65 HG2 ARG 9 2HG ARG 9 0.884 0.573 -3.899
66 HG3 ARG 9 1HG ARG 9 2.466 -0.192 -4.058
67 HD2 ARG 9 2HD ARG 9 1.723 0.405 -6.274
68 HD3 ARG 9 1HD ARG 9 1.615 -1.348 -6.127
69 HE ARG 9 HE ARG 9 -0.865 -0.223 -5.386
70 HH11 ARG 9 1HH1 ARG 9 1.202 -0.651 -8.127
71 HH12 ARG 9 2HH1 ARG 9 -0.095 -0.681 -9.275
72 HH21 ARG 9 1HH2 ARG 9 -2.571 -0.260 -6.885
73 HH22 ARG 9 2HH2 ARG 9 -2.232 -0.461 -8.571
74 H HIS 10 H HIS 10 2.214 -3.517 -1.109
75 HA HIS 10 HA HIS 10 -0.320 -4.887 -0.525
76 HB2 HIS 10 2HB HIS 10 1.327 -6.150 -1.803
77 HB3 HIS 10 1HB HIS 10 2.536 -5.881 -0.544
78 HD1 HIS 10 1HD HIS 10 -0.958 -7.402 -0.842
79 HD2 HIS 10 2HD HIS 10 2.550 -7.882 1.361
80 HE1 HIS 10 1HE HIS 10 -1.320 -9.415 0.651
81 HE2 HIS 10 2HE HIS 10 0.810 -9.722 2.000
82 H THR 11 H THR 11 2.845 -4.850 1.093
83 HA THR 11 HA THR 11 1.735 -5.277 3.678
84 HB THR 11 HB THR 11 4.496 -4.280 2.938
85 HG1 THR 11 1HG THR 11 3.540 -6.439 2.197
86 HG21 THR 11 1HG2 THR 11 4.213 -3.885 5.250
87 HG22 THR 11 2HG2 THR 11 3.237 -5.335 5.468
88 HG23 THR 11 3HG2 THR 11 4.972 -5.473 5.188
89 H ILE 12 H ILE 12 2.559 -2.431 1.820
90 HA ILE 12 HA ILE 12 1.959 -0.732 4.155
91 HB ILE 12 HB ILE 12 3.323 0.083 1.603
92 HG12 ILE 12 2HG1 ILE 12 4.585 -1.643 2.830
93 HG13 ILE 12 1HG1 ILE 12 5.384 -0.080 2.903
94 HG21 ILE 12 1HG2 ILE 12 4.050 1.970 3.046
95 HG22 ILE 12 2HG2 ILE 12 2.311 1.945 2.752
96 HG23 ILE 12 3HG2 ILE 12 2.955 1.386 4.298
97 HD11 ILE 12 1HD1 ILE 12 5.493 -0.789 5.152
98 HD12 ILE 12 2HD1 ILE 12 4.013 0.165 5.182
99 HD13 ILE 12 3HD1 ILE 12 3.930 -1.589 5.069
100 HA PRO 13 HA PRO 13 -1.781 -0.399 1.454
101 HB2 PRO 13 2HB PRO 13 -3.503 0.121 3.540
102 HB3 PRO 13 1HB PRO 13 -3.083 -1.511 2.987
103 HG2 PRO 13 2HG PRO 13 -2.030 0.038 5.297
104 HG3 PRO 13 1HG PRO 13 -2.426 -1.684 5.176
105 HD2 PRO 13 2HD PRO 13 0.096 -0.749 5.074
106 HD3 PRO 13 1HD PRO 13 -0.399 -2.212 4.199
107 H GLN 14 H GLN 14 -0.259 1.698 3.731
108 HA GLN 14 HA GLN 14 -1.881 4.006 3.402
109 HB2 GLN 14 2HB GLN 14 1.027 3.692 4.172
110 HB3 GLN 14 1HB GLN 14 0.142 5.215 4.250
111 HG2 GLN 14 2HG GLN 14 -1.471 4.231 5.809
112 HG3 GLN 14 1HG GLN 14 -0.655 2.672 5.698
113 HE21 GLN 14 1HE2 GLN 14 0.955 2.301 7.232
114 HE22 GLN 14 2HE2 GLN 14 1.706 3.510 8.157
115 H CYS 15 H CYS 15 0.707 2.600 1.529
116 HA CYS 15 HA CYS 15 1.421 4.825 -0.038
117 HB2 CYS 15 2HB CYS 15 1.594 1.850 -0.451
118 HB3 CYS 15 1HB CYS 15 2.047 2.967 -1.741
119 H ARG 16 H ARG 16 -1.334 2.708 -0.132
120 HA ARG 16 HA ARG 16 -2.127 3.088 -2.784
121 HB2 ARG 16 2HB ARG 16 -4.173 2.171 -2.158
122 HB3 ARG 16 1HB ARG 16 -3.096 1.539 -0.915
123 HG2 ARG 16 2HG ARG 16 -3.765 3.591 0.487
124 HG3 ARG 16 1HG ARG 16 -5.050 3.840 -0.690
125 HD2 ARG 16 2HD ARG 16 -4.626 1.288 0.879
126 HD3 ARG 16 1HD ARG 16 -5.805 2.535 1.276
127 HE ARG 16 HE ARG 16 -5.972 0.630 -0.915
128 HH11 ARG 16 1HH1 ARG 16 -7.043 3.606 0.494
129 HH12 ARG 16 2HH1 ARG 16 -8.554 3.621 -0.353
130 HH21 ARG 16 1HH2 ARG 16 -7.951 0.644 -2.024
131 HH22 ARG 16 2HH2 ARG 16 -9.069 1.944 -1.779
132 H LYS 17 H LYS 17 -2.712 5.020 0.124
133 HA LYS 17 HA LYS 17 -4.455 6.896 -1.139
134 HB2 LYS 17 2HB LYS 17 -2.898 6.936 1.449
135 HB3 LYS 17 1HB LYS 17 -3.901 8.289 0.928
136 HG2 LYS 17 2HG LYS 17 -5.096 5.542 0.902
137 HG3 LYS 17 1HG LYS 17 -4.912 6.361 2.452
138 HD2 LYS 17 2HD LYS 17 -6.102 7.899 0.175
139 HD3 LYS 17 1HD LYS 17 -7.106 6.698 0.989
140 HE2 LYS 17 2HE LYS 17 -6.655 7.768 3.156
141 HE3 LYS 17 1HE LYS 17 -5.621 8.956 2.365
142 HZ1 LYS 17 1HZ LYS 17 -7.415 9.913 1.277
143 HZ2 LYS 17 2HZ LYS 17 -8.425 8.569 1.527
144 HZ3 LYS 17 3HZ LYS 17 -8.033 9.588 2.826
145 H PHE 18 H PHE 18 -1.006 6.774 -0.441
146 HA PHE 18 HA PHE 18 -0.325 9.398 -1.236
147 HB2 PHE 18 2HB PHE 18 1.228 7.976 -0.010
148 HB3 PHE 18 1HB PHE 18 1.321 6.866 -1.379
149 HD1 PHE 18 1HD PHE 18 2.818 7.254 -3.141
150 HD2 PHE 18 2HD PHE 18 1.906 10.428 -0.396
151 HE1 PHE 18 1HE PHE 18 4.585 8.662 -4.174
152 HE2 PHE 18 2HE PHE 18 3.672 11.829 -1.424
153 HZ PHE 18 HZ PHE 18 4.999 10.946 -3.309
154 H GLY 19 H GLY 19 -0.423 6.357 -3.087
155 HA2 GLY 19 2HA GLY 19 -0.412 7.979 -5.567
156 HA3 GLY 19 1HA GLY 19 0.426 6.436 -5.434
157 H ARG 20 H ARG 20 -2.428 7.940 -6.344
158 HA ARG 20 HA ARG 20 -4.370 5.979 -5.771
159 HB2 ARG 20 2HB ARG 20 -4.936 8.244 -6.525
160 HB3 ARG 20 1HB ARG 20 -4.230 7.900 -8.105
161 HG2 ARG 20 2HG ARG 20 -5.871 6.122 -8.491
162 HG3 ARG 20 1HG ARG 20 -6.542 6.361 -6.877
163 HD2 ARG 20 2HD ARG 20 -7.202 8.647 -7.475
164 HD3 ARG 20 1HD ARG 20 -6.491 8.447 -9.073
165 HE ARG 20 HE ARG 20 -8.358 6.379 -8.677
166 HH11 ARG 20 1HH1 ARG 20 -8.184 9.817 -9.013
167 HH12 ARG 20 2HH1 ARG 20 -9.758 9.966 -9.722
168 HH21 ARG 20 1HH2 ARG 20 -10.423 6.565 -9.604
169 HH22 ARG 20 2HH2 ARG 20 -11.026 8.125 -10.057
170 H ARG 21 H ARG 21 -2.240 6.429 -8.576
171 HA ARG 21 HA ARG 21 -3.239 4.056 -9.899
172 HB2 ARG 21 2HB ARG 21 -0.706 5.524 -10.606
173 HB3 ARG 21 1HB ARG 21 -1.792 4.628 -11.667
174 HG2 ARG 21 2HG ARG 21 -2.411 7.251 -10.274
175 HG3 ARG 21 1HG ARG 21 -2.124 7.030 -12.000
176 HD2 ARG 21 2HD ARG 21 -4.441 5.960 -10.371
177 HD3 ARG 21 1HD ARG 21 -4.502 7.121 -11.693
178 HE ARG 21 HE ARG 21 -3.361 4.876 -12.801
179 HH11 ARG 21 1HH1 ARG 21 -6.258 5.629 -11.070
180 HH12 ARG 21 2HH1 ARG 21 -7.208 4.413 -11.855
181 HH21 ARG 21 1HH2 ARG 21 -4.598 3.274 -13.833
182 HH22 ARG 21 2HH2 ARG 21 -6.269 3.079 -13.419
Start of MODEL 15
1 H1 ASN 1 H ASN 1 8.415 3.250 6.672
2 HA ASN 1 HA ASN 1 8.326 5.542 6.358
3 HB2 ASN 1 2HB ASN 1 11.338 5.447 6.644
4 HB3 ASN 1 1HB ASN 1 10.326 6.889 6.706
5 HD21 ASN 1 1HD2 ASN 1 12.040 5.143 8.775
6 HD22 ASN 1 2HD2 ASN 1 11.016 5.120 10.129
7 H LEU 2 H LEU 2 9.876 3.312 4.433
8 HA LEU 2 HA LEU 2 10.311 5.233 2.238
9 HB2 LEU 2 2HB LEU 2 12.219 3.776 2.729
10 HB3 LEU 2 1HB LEU 2 11.203 2.351 2.529
11 HG LEU 2 HG LEU 2 10.793 2.972 0.163
12 HD11 LEU 2 1HD1 LEU 2 10.940 5.270 -0.042
13 HD12 LEU 2 2HD1 LEU 2 12.339 5.382 1.026
14 HD13 LEU 2 3HD1 LEU 2 12.539 4.815 -0.632
15 HD21 LEU 2 1HD2 LEU 2 13.604 2.665 1.184
16 HD22 LEU 2 2HD2 LEU 2 12.596 1.496 0.331
17 HD23 LEU 2 3HD2 LEU 2 13.310 2.849 -0.547
18 H CYS 3 H CYS 3 8.864 5.368 0.662
19 HA CYS 3 HA CYS 3 7.174 3.028 0.049
20 HB2 CYS 3 2HB CYS 3 5.852 4.518 1.479
21 HB3 CYS 3 1HB CYS 3 6.182 5.868 0.393
22 H ALA 4 H ALA 4 7.253 2.564 -2.052
23 HA ALA 4 HA ALA 4 6.845 4.199 -4.206
24 HB1 ALA 4 1HB ALA 4 9.581 4.482 -3.128
25 HB2 ALA 4 2HB ALA 4 9.481 4.216 -4.867
26 HB3 ALA 4 3HB ALA 4 8.643 5.585 -4.137
27 H SER 5 H SER 5 6.875 1.406 -3.081
28 HA SER 5 HA SER 5 7.807 0.061 -5.538
29 HB2 SER 5 2HB SER 5 9.420 -0.422 -3.774
30 HB3 SER 5 1HB SER 5 8.123 -0.941 -2.702
31 HG SER 5 HG SER 5 8.924 -2.763 -3.654
32 H LEU 6 H LEU 6 6.554 -1.617 -6.283
33 HA LEU 6 HA LEU 6 3.813 -1.534 -5.887
34 HB2 LEU 6 2HB LEU 6 3.751 -3.745 -7.003
35 HB3 LEU 6 1HB LEU 6 4.821 -2.617 -7.836
36 HG LEU 6 HG LEU 6 6.487 -3.816 -5.962
37 HD11 LEU 6 1HD1 LEU 6 4.667 -5.906 -7.197
38 HD12 LEU 6 2HD1 LEU 6 6.130 -6.235 -6.267
39 HD13 LEU 6 3HD1 LEU 6 4.736 -5.492 -5.485
40 HD21 LEU 6 1HD2 LEU 6 7.459 -4.940 -7.941
41 HD22 LEU 6 2HD2 LEU 6 5.992 -4.589 -8.856
42 HD23 LEU 6 3HD2 LEU 6 7.025 -3.270 -8.309
43 H ARG 7 H ARG 7 6.282 -3.352 -4.174
44 HA ARG 7 HA ARG 7 4.612 -5.169 -2.825
45 HB2 ARG 7 2HB ARG 7 7.157 -5.186 -2.924
46 HB3 ARG 7 1HB ARG 7 7.123 -3.933 -1.685
47 HG2 ARG 7 2HG ARG 7 7.262 -5.817 -0.347
48 HG3 ARG 7 1HG ARG 7 5.510 -5.652 -0.461
49 HD2 ARG 7 2HD ARG 7 6.076 -7.964 -0.914
50 HD3 ARG 7 1HD ARG 7 5.558 -7.226 -2.427
51 HE ARG 7 HE ARG 7 8.378 -6.996 -2.140
52 HH11 ARG 7 1HH1 ARG 7 5.827 -9.242 -2.780
53 HH12 ARG 7 2HH1 ARG 7 6.812 -10.301 -3.736
54 HH21 ARG 7 1HH2 ARG 7 9.675 -8.376 -3.393
55 HH22 ARG 7 2HH2 ARG 7 8.990 -9.809 -4.082
56 H ALA 8 H ALA 8 5.619 -1.868 -2.020
57 HA ALA 8 HA ALA 8 4.487 -1.753 0.558
58 HB1 ALA 8 1HB ALA 8 5.182 0.407 0.522
59 HB2 ALA 8 2HB ALA 8 5.965 -0.047 -0.989
60 HB3 ALA 8 3HB ALA 8 4.383 0.731 -1.014
61 H ARG 9 H ARG 9 3.181 -1.008 -2.627
62 HA ARG 9 HA ARG 9 0.658 -0.064 -1.691
63 HB2 ARG 9 2HB ARG 9 1.488 -1.184 -4.370
64 HB3 ARG 9 1HB ARG 9 -0.091 -0.469 -4.043
65 HG2 ARG 9 2HG ARG 9 0.926 1.656 -3.459
66 HG3 ARG 9 1HG ARG 9 2.542 0.959 -3.587
67 HD2 ARG 9 2HD ARG 9 2.017 2.209 -5.623
68 HD3 ARG 9 1HD ARG 9 2.133 0.490 -5.986
69 HE ARG 9 HE ARG 9 -0.560 1.257 -5.383
70 HH11 ARG 9 1HH1 ARG 9 1.919 1.311 -7.798
71 HH12 ARG 9 2HH1 ARG 9 0.812 1.358 -9.129
72 HH21 ARG 9 1HH2 ARG 9 -2.017 1.316 -7.124
73 HH22 ARG 9 2HH2 ARG 9 -1.416 1.361 -8.749
74 H HIS 10 H HIS 10 1.935 -3.021 -1.292
75 HA HIS 10 HA HIS 10 -0.688 -4.391 -1.478
76 HB2 HIS 10 2HB HIS 10 2.110 -5.382 -1.927
77 HB3 HIS 10 1HB HIS 10 0.781 -6.486 -1.570
78 HD1 HIS 10 1HD HIS 10 1.648 -3.738 -4.069
79 HD2 HIS 10 2HD HIS 10 -0.783 -7.110 -3.790
80 HE1 HIS 10 1HE HIS 10 0.624 -4.070 -6.359
81 HE2 HIS 10 2HE HIS 10 -0.868 -6.117 -6.205
82 H THR 11 H THR 11 2.378 -4.267 0.318
83 HA THR 11 HA THR 11 1.060 -5.541 2.616
84 HB THR 11 HB THR 11 3.346 -5.754 3.514
85 HG1 THR 11 1HG THR 11 4.216 -4.754 1.021
86 HG21 THR 11 1HG2 THR 11 2.799 -7.667 2.322
87 HG22 THR 11 2HG2 THR 11 2.623 -6.792 0.800
88 HG23 THR 11 3HG2 THR 11 4.230 -7.134 1.439
89 H ILE 12 H ILE 12 2.214 -2.493 1.461
90 HA ILE 12 HA ILE 12 2.060 -1.411 4.184
91 HB ILE 12 HB ILE 12 3.283 -0.126 1.744
92 HG12 ILE 12 2HG1 ILE 12 4.355 -2.255 2.815
93 HG13 ILE 12 1HG1 ILE 12 5.362 -0.844 2.501
94 HG21 ILE 12 1HG2 ILE 12 4.345 1.262 3.625
95 HG22 ILE 12 2HG2 ILE 12 2.673 1.615 3.194
96 HG23 ILE 12 3HG2 ILE 12 3.029 0.661 4.636
97 HD11 ILE 12 1HD1 ILE 12 5.466 -0.240 4.764
98 HD12 ILE 12 2HD1 ILE 12 4.010 -1.132 5.189
99 HD13 ILE 12 3HD1 ILE 12 5.506 -1.999 4.854
100 HA PRO 13 HA PRO 13 -1.880 0.118 2.524
101 HB2 PRO 13 2HB PRO 13 -2.955 0.880 4.921
102 HB3 PRO 13 1HB PRO 13 -2.944 -0.798 4.347
103 HG2 PRO 13 2HG PRO 13 -1.174 0.542 6.319
104 HG3 PRO 13 1HG PRO 13 -1.845 -1.097 6.329
105 HD2 PRO 13 2HD PRO 13 0.713 -0.502 5.617
106 HD3 PRO 13 1HD PRO 13 -0.158 -1.933 5.027
107 H GLN 14 H GLN 14 0.547 1.779 4.310
108 HA GLN 14 HA GLN 14 -0.635 4.380 4.287
109 HB2 GLN 14 2HB GLN 14 2.238 3.470 4.549
110 HB3 GLN 14 1HB GLN 14 1.713 5.143 4.731
111 HG2 GLN 14 2HG GLN 14 0.204 4.484 6.562
112 HG3 GLN 14 1HG GLN 14 0.712 2.804 6.379
113 HE21 GLN 14 1HE2 GLN 14 1.918 2.453 8.280
114 HE22 GLN 14 2HE2 GLN 14 3.245 3.404 8.748
115 H CYS 15 H CYS 15 0.868 2.429 1.901
116 HA CYS 15 HA CYS 15 1.627 4.680 0.214
117 HB2 CYS 15 2HB CYS 15 1.751 1.682 -0.164
118 HB3 CYS 15 1HB CYS 15 2.248 2.844 -1.398
119 H ARG 16 H ARG 16 -1.241 3.278 0.969
120 HA ARG 16 HA ARG 16 -2.459 2.826 -1.539
121 HB2 ARG 16 2HB ARG 16 -4.536 2.853 -0.350
122 HB3 ARG 16 1HB ARG 16 -3.343 2.140 0.736
123 HG2 ARG 16 2HG ARG 16 -3.021 4.454 1.741
124 HG3 ARG 16 1HG ARG 16 -4.408 4.979 0.791
125 HD2 ARG 16 2HD ARG 16 -5.789 3.224 1.855
126 HD3 ARG 16 1HD ARG 16 -4.412 2.761 2.854
127 HE ARG 16 HE ARG 16 -4.888 5.533 3.155
128 HH11 ARG 16 1HH1 ARG 16 -6.269 2.444 3.865
129 HH12 ARG 16 2HH1 ARG 16 -7.090 2.985 5.292
130 HH21 ARG 16 1HH2 ARG 16 -5.959 6.253 5.022
131 HH22 ARG 16 2HH2 ARG 16 -6.915 5.142 5.946
132 H LYS 17 H LYS 17 -1.910 5.718 0.368
133 HA LYS 17 HA LYS 17 -3.693 7.448 -0.975
134 HB2 LYS 17 2HB LYS 17 -1.116 7.952 0.504
135 HB3 LYS 17 1HB LYS 17 -2.128 9.252 -0.128
136 HG2 LYS 17 2HG LYS 17 -4.060 8.259 1.179
137 HG3 LYS 17 1HG LYS 17 -2.903 7.164 1.932
138 HD2 LYS 17 2HD LYS 17 -2.585 10.175 1.997
139 HD3 LYS 17 1HD LYS 17 -3.443 9.280 3.251
140 HE2 LYS 17 2HE LYS 17 -0.532 8.919 2.462
141 HE3 LYS 17 1HE LYS 17 -1.140 9.625 3.956
142 HZ1 LYS 17 1HZ LYS 17 -2.415 7.336 4.033
143 HZ2 LYS 17 2HZ LYS 17 -1.067 6.832 3.130
144 HZ3 LYS 17 3HZ LYS 17 -0.849 7.516 4.666
145 H PHE 18 H PHE 18 -0.329 6.553 -1.596
146 HA PHE 18 HA PHE 18 0.091 8.400 -3.718
147 HB2 PHE 18 2HB PHE 18 1.465 5.869 -2.847
148 HB3 PHE 18 1HB PHE 18 1.946 6.710 -4.321
149 HD1 PHE 18 1HD PHE 18 1.554 7.068 -0.643
150 HD2 PHE 18 2HD PHE 18 3.151 8.773 -4.250
151 HE1 PHE 18 1HE PHE 18 2.849 8.702 0.699
152 HE2 PHE 18 2HE PHE 18 4.443 10.404 -2.905
153 HZ PHE 18 HZ PHE 18 4.288 10.368 -0.434
154 H GLY 19 H GLY 19 -1.101 5.080 -3.559
155 HA2 GLY 19 2HA GLY 19 -1.076 4.475 -6.305
156 HA3 GLY 19 1HA GLY 19 -2.143 3.741 -5.113
157 H ARG 20 H ARG 20 -3.530 6.052 -4.284
158 HA ARG 20 HA ARG 20 -5.069 6.677 -6.732
159 HB2 ARG 20 2HB ARG 20 -6.304 5.344 -5.058
160 HB3 ARG 20 1HB ARG 20 -6.016 6.604 -3.858
161 HG2 ARG 20 2HG ARG 20 -7.273 8.216 -5.161
162 HG3 ARG 20 1HG ARG 20 -7.440 7.070 -6.492
163 HD2 ARG 20 2HD ARG 20 -8.528 6.617 -3.700
164 HD3 ARG 20 1HD ARG 20 -9.484 7.215 -5.053
165 HE ARG 20 HE ARG 20 -8.268 4.848 -5.900
166 HH11 ARG 20 1HH1 ARG 20 -10.497 5.939 -3.490
167 HH12 ARG 20 2HH1 ARG 20 -11.375 4.446 -3.429
168 HH21 ARG 20 1HH2 ARG 20 -9.411 2.887 -5.824
169 HH22 ARG 20 2HH2 ARG 20 -10.761 2.719 -4.749
170 H ARG 21 H ARG 21 -5.123 8.732 -7.366
171 HA ARG 21 HA ARG 21 -4.444 10.844 -5.404
172 HB2 ARG 21 2HB ARG 21 -3.712 10.741 -8.341
173 HB3 ARG 21 1HB ARG 21 -3.350 12.066 -7.233
174 HG2 ARG 21 2HG ARG 21 -2.006 10.546 -5.836
175 HG3 ARG 21 1HG ARG 21 -2.375 9.210 -6.927
176 HD2 ARG 21 2HD ARG 21 -0.206 10.050 -7.547
177 HD3 ARG 21 1HD ARG 21 -1.342 10.562 -8.791
178 HE ARG 21 HE ARG 21 -1.184 12.590 -6.840
179 HH11 ARG 21 1HH1 ARG 21 0.726 11.021 -9.263
180 HH12 ARG 21 2HH1 ARG 21 1.705 12.412 -9.588
181 HH21 ARG 21 1HH2 ARG 21 0.100 14.418 -7.259
182 HH22 ARG 21 2HH2 ARG 21 1.350 14.334 -8.454
Start of MODEL 16
1 H1 ASN 1 H ASN 1 10.876 3.255 2.043
2 HA ASN 1 HA ASN 1 8.216 3.374 3.191
3 HB2 ASN 1 2HB ASN 1 10.056 5.730 3.633
4 HB3 ASN 1 1HB ASN 1 8.406 5.530 4.219
5 HD21 ASN 1 1HD2 ASN 1 8.214 3.259 5.534
6 HD22 ASN 1 2HD2 ASN 1 9.440 3.034 6.686
7 H LEU 2 H LEU 2 9.650 3.197 0.558
8 HA LEU 2 HA LEU 2 8.525 5.615 -0.724
9 HB2 LEU 2 2HB LEU 2 10.664 3.748 -1.779
10 HB3 LEU 2 1HB LEU 2 10.100 5.234 -2.544
11 HG LEU 2 HG LEU 2 11.413 5.065 0.187
12 HD11 LEU 2 1HD1 LEU 2 12.441 5.970 -2.518
13 HD12 LEU 2 2HD1 LEU 2 13.267 6.295 -0.994
14 HD13 LEU 2 3HD1 LEU 2 13.051 4.633 -1.543
15 HD21 LEU 2 1HD2 LEU 2 11.555 7.647 -0.438
16 HD22 LEU 2 2HD2 LEU 2 10.139 7.256 -1.414
17 HD23 LEU 2 3HD2 LEU 2 10.112 6.982 0.329
18 H CYS 3 H CYS 3 6.871 5.377 -2.089
19 HA CYS 3 HA CYS 3 5.531 2.901 -2.377
20 HB2 CYS 3 2HB CYS 3 5.246 5.609 -3.638
21 HB3 CYS 3 1HB CYS 3 4.318 4.246 -4.261
22 H ALA 4 H ALA 4 8.335 3.947 -3.807
23 HA ALA 4 HA ALA 4 8.079 3.146 -6.493
24 HB1 ALA 4 1HB ALA 4 10.099 4.187 -4.927
25 HB2 ALA 4 2HB ALA 4 10.688 2.567 -5.296
26 HB3 ALA 4 3HB ALA 4 10.268 3.672 -6.605
27 H SER 5 H SER 5 8.811 1.329 -3.556
28 HA SER 5 HA SER 5 9.425 -1.125 -4.897
29 HB2 SER 5 2HB SER 5 9.387 -2.118 -2.699
30 HB3 SER 5 1HB SER 5 10.167 -0.544 -2.575
31 HG SER 5 HG SER 5 7.528 -1.286 -1.862
32 H LEU 6 H LEU 6 8.123 -3.116 -4.609
33 HA LEU 6 HA LEU 6 5.318 -2.547 -5.236
34 HB2 LEU 6 2HB LEU 6 5.254 -4.882 -6.020
35 HB3 LEU 6 1HB LEU 6 6.553 -3.986 -6.789
36 HG LEU 6 HG LEU 6 7.986 -4.876 -4.761
37 HD11 LEU 6 1HD1 LEU 6 5.461 -6.251 -4.431
38 HD12 LEU 6 2HD1 LEU 6 6.743 -7.409 -4.752
39 HD13 LEU 6 3HD1 LEU 6 6.885 -6.292 -3.402
40 HD21 LEU 6 1HD2 LEU 6 8.464 -6.957 -6.126
41 HD22 LEU 6 2HD2 LEU 6 7.104 -6.510 -7.155
42 HD23 LEU 6 3HD2 LEU 6 8.511 -5.451 -7.043
43 H ARG 7 H ARG 7 7.314 -3.958 -2.771
44 HA ARG 7 HA ARG 7 5.389 -5.575 -1.482
45 HB2 ARG 7 2HB ARG 7 7.830 -5.682 -1.042
46 HB3 ARG 7 1HB ARG 7 7.725 -4.114 -0.233
47 HG2 ARG 7 2HG ARG 7 6.107 -5.051 1.380
48 HG3 ARG 7 1HG ARG 7 6.218 -6.617 0.580
49 HD2 ARG 7 2HD ARG 7 8.544 -5.152 1.854
50 HD3 ARG 7 1HD ARG 7 7.668 -6.489 2.594
51 HE ARG 7 HE ARG 7 9.605 -6.669 0.438
52 HH11 ARG 7 1HH1 ARG 7 6.957 -8.122 2.125
53 HH12 ARG 7 2HH1 ARG 7 7.357 -9.738 1.644
54 HH21 ARG 7 1HH2 ARG 7 10.135 -8.784 -0.196
55 HH22 ARG 7 2HH2 ARG 7 9.156 -10.113 0.330
56 H ALA 8 H ALA 8 6.189 -2.149 -1.219
57 HA ALA 8 HA ALA 8 4.776 -1.484 1.081
58 HB1 ALA 8 1HB ALA 8 6.246 0.091 -0.091
59 HB2 ALA 8 2HB ALA 8 5.103 0.162 -1.433
60 HB3 ALA 8 3HB ALA 8 4.643 0.787 0.151
61 H ARG 9 H ARG 9 3.582 -0.972 -2.236
62 HA ARG 9 HA ARG 9 0.927 -0.456 -1.521
63 HB2 ARG 9 2HB ARG 9 2.120 -1.531 -4.081
64 HB3 ARG 9 1HB ARG 9 0.419 -1.097 -3.918
65 HG2 ARG 9 2HG ARG 9 1.041 1.193 -3.295
66 HG3 ARG 9 1HG ARG 9 2.751 0.771 -3.393
67 HD2 ARG 9 2HD ARG 9 2.473 0.222 -5.785
68 HD3 ARG 9 1HD ARG 9 0.769 0.663 -5.686
69 HE ARG 9 HE ARG 9 3.029 2.483 -5.780
70 HH11 ARG 9 1HH1 ARG 9 -0.289 1.978 -4.935
71 HH12 ARG 9 2HH1 ARG 9 -0.712 3.655 -5.028
72 HH21 ARG 9 1HH2 ARG 9 2.483 4.684 -5.905
73 HH22 ARG 9 2HH2 ARG 9 0.858 5.187 -5.578
74 H HIS 10 H HIS 10 2.611 -3.483 -2.099
75 HA HIS 10 HA HIS 10 0.419 -5.200 -2.379
76 HB2 HIS 10 2HB HIS 10 2.733 -5.908 -2.795
77 HB3 HIS 10 1HB HIS 10 3.092 -5.757 -1.075
78 HD1 HIS 10 1HD HIS 10 0.795 -7.712 -3.396
79 HD2 HIS 10 2HD HIS 10 2.447 -8.009 0.419
80 HE1 HIS 10 1HE HIS 10 0.173 -10.005 -2.523
81 HE2 HIS 10 2HE HIS 10 1.173 -10.203 -0.198
82 H THR 11 H THR 11 2.075 -4.037 0.532
83 HA THR 11 HA THR 11 -0.148 -5.152 2.141
84 HB THR 11 HB THR 11 2.708 -4.701 3.033
85 HG1 THR 11 1HG THR 11 1.574 -7.226 2.854
86 HG21 THR 11 1HG2 THR 11 1.216 -6.544 4.627
87 HG22 THR 11 2HG2 THR 11 1.891 -4.987 5.105
88 HG23 THR 11 3HG2 THR 11 0.259 -5.075 4.447
89 H ILE 12 H ILE 12 2.433 -2.697 2.396
90 HA ILE 12 HA ILE 12 1.297 -1.084 4.292
91 HB ILE 12 HB ILE 12 2.866 -0.103 1.924
92 HG12 ILE 12 2HG1 ILE 12 3.976 -1.990 3.069
93 HG13 ILE 12 1HG1 ILE 12 4.828 -0.476 3.371
94 HG21 ILE 12 1HG2 ILE 12 3.610 1.611 3.603
95 HG22 ILE 12 2HG2 ILE 12 1.904 1.728 3.168
96 HG23 ILE 12 3HG2 ILE 12 2.375 0.990 4.701
97 HD11 ILE 12 1HD1 ILE 12 4.689 -1.292 5.537
98 HD12 ILE 12 2HD1 ILE 12 3.179 -0.399 5.472
99 HD13 ILE 12 3HD1 ILE 12 3.173 -2.139 5.229
100 HA PRO 13 HA PRO 13 -2.275 0.253 1.871
101 HB2 PRO 13 2HB PRO 13 -3.732 1.157 3.984
102 HB3 PRO 13 1HB PRO 13 -3.591 -0.566 3.585
103 HG2 PRO 13 2HG PRO 13 -2.240 1.005 5.709
104 HG3 PRO 13 1HG PRO 13 -2.806 -0.673 5.727
105 HD2 PRO 13 2HD PRO 13 -0.156 0.108 5.351
106 HD3 PRO 13 1HD PRO 13 -0.826 -1.477 4.882
107 H GLN 14 H GLN 14 -0.255 2.077 4.024
108 HA GLN 14 HA GLN 14 -1.381 4.641 3.725
109 HB2 GLN 14 2HB GLN 14 1.468 3.762 4.242
110 HB3 GLN 14 1HB GLN 14 0.935 5.442 4.311
111 HG2 GLN 14 2HG GLN 14 -0.718 4.853 6.043
112 HG3 GLN 14 1HG GLN 14 -0.189 3.173 5.977
113 HE21 GLN 14 1HE2 GLN 14 1.059 2.775 7.809
114 HE22 GLN 14 2HE2 GLN 14 2.254 3.818 8.414
115 H CYS 15 H CYS 15 0.835 2.791 1.721
116 HA CYS 15 HA CYS 15 1.700 4.852 0.014
117 HB2 CYS 15 2HB CYS 15 2.759 2.637 0.060
118 HB3 CYS 15 1HB CYS 15 1.291 1.916 -0.600
119 H ARG 16 H ARG 16 -1.085 2.656 -0.193
120 HA ARG 16 HA ARG 16 -2.016 3.512 -2.705
121 HB2 ARG 16 2HB ARG 16 -3.763 2.099 -2.337
122 HB3 ARG 16 1HB ARG 16 -2.744 1.549 -1.003
123 HG2 ARG 16 2HG ARG 16 -3.880 3.284 0.439
124 HG3 ARG 16 1HG ARG 16 -5.022 3.541 -0.871
125 HD2 ARG 16 2HD ARG 16 -4.491 0.888 0.480
126 HD3 ARG 16 1HD ARG 16 -5.869 1.931 0.809
127 HE ARG 16 HE ARG 16 -5.450 0.303 -1.578
128 HH11 ARG 16 1HH1 ARG 16 -7.176 2.840 0.020
129 HH12 ARG 16 2HH1 ARG 16 -8.557 2.742 -1.019
130 HH21 ARG 16 1HH2 ARG 16 -7.258 0.167 -2.946
131 HH22 ARG 16 2HH2 ARG 16 -8.604 1.230 -2.699
132 H LYS 17 H LYS 17 -2.530 4.744 0.550
133 HA LYS 17 HA LYS 17 -4.644 6.533 -0.043
134 HB2 LYS 17 2HB LYS 17 -2.525 6.542 2.112
135 HB3 LYS 17 1HB LYS 17 -3.835 7.723 2.041
136 HG2 LYS 17 2HG LYS 17 -5.489 5.887 2.101
137 HG3 LYS 17 1HG LYS 17 -4.177 4.715 2.196
138 HD2 LYS 17 2HD LYS 17 -3.406 5.758 4.306
139 HD3 LYS 17 1HD LYS 17 -4.754 6.894 4.222
140 HE2 LYS 17 2HE LYS 17 -5.029 3.877 4.350
141 HE3 LYS 17 1HE LYS 17 -5.261 4.974 5.710
142 HZ1 LYS 17 1HZ LYS 17 -6.982 6.108 4.338
143 HZ2 LYS 17 2HZ LYS 17 -6.849 4.845 3.210
144 HZ3 LYS 17 3HZ LYS 17 -7.381 4.519 4.786
145 H PHE 18 H PHE 18 -1.122 6.885 -0.121
146 HA PHE 18 HA PHE 18 -1.090 9.669 -0.674
147 HB2 PHE 18 2HB PHE 18 0.900 7.441 -1.019
148 HB3 PHE 18 1HB PHE 18 1.246 9.064 -1.616
149 HD1 PHE 18 1HD PHE 18 1.539 6.938 1.166
150 HD2 PHE 18 2HD PHE 18 0.646 11.010 0.132
151 HE1 PHE 18 1HE PHE 18 2.152 7.653 3.459
152 HE2 PHE 18 2HE PHE 18 1.260 11.725 2.426
153 HZ PHE 18 HZ PHE 18 2.010 10.047 4.087
154 H GLY 19 H GLY 19 -1.152 6.789 -2.724
155 HA2 GLY 19 2HA GLY 19 -1.844 8.520 -5.013
156 HA3 GLY 19 1HA GLY 19 -0.615 7.273 -5.193
157 H ARG 20 H ARG 20 -3.865 7.964 -5.532
158 HA ARG 20 HA ARG 20 -5.061 5.473 -4.873
159 HB2 ARG 20 2HB ARG 20 -6.974 6.265 -6.125
160 HB3 ARG 20 1HB ARG 20 -6.308 7.613 -5.201
161 HG2 ARG 20 2HG ARG 20 -4.993 8.255 -7.267
162 HG3 ARG 20 1HG ARG 20 -5.922 7.043 -8.151
163 HD2 ARG 20 2HD ARG 20 -8.020 8.185 -7.464
164 HD3 ARG 20 1HD ARG 20 -7.059 9.426 -6.666
165 HE ARG 20 HE ARG 20 -7.458 9.118 -9.525
166 HH11 ARG 20 1HH1 ARG 20 -5.548 10.430 -6.957
167 HH12 ARG 20 2HH1 ARG 20 -4.871 11.699 -7.923
168 HH21 ARG 20 1HH2 ARG 20 -6.577 10.781 -10.799
169 HH22 ARG 20 2HH2 ARG 20 -5.455 11.898 -10.098
170 H ARG 21 H ARG 21 -3.186 6.569 -7.563
171 HA ARG 21 HA ARG 21 -4.069 4.457 -9.350
172 HB2 ARG 21 2HB ARG 21 -3.385 6.661 -10.234
173 HB3 ARG 21 1HB ARG 21 -1.757 6.395 -9.609
174 HG2 ARG 21 2HG ARG 21 -1.482 4.437 -11.037
175 HG3 ARG 21 1HG ARG 21 -3.149 4.579 -11.598
176 HD2 ARG 21 2HD ARG 21 -1.657 5.549 -13.264
177 HD3 ARG 21 1HD ARG 21 -2.608 6.831 -12.520
178 HE ARG 21 HE ARG 21 -0.654 7.667 -11.553
179 HH11 ARG 21 1HH1 ARG 21 -0.171 4.530 -12.931
180 HH12 ARG 21 2HH1 ARG 21 1.554 4.577 -12.778
181 HH21 ARG 21 1HH2 ARG 21 1.607 7.736 -11.349
182 HH22 ARG 21 2HH2 ARG 21 2.561 6.391 -11.882
Start of MODEL 17
1 H1 ASN 1 H ASN 1 5.105 8.113 2.457
2 HA ASN 1 HA ASN 1 7.646 6.739 2.968
3 HB2 ASN 1 2HB ASN 1 5.296 5.780 3.493
4 HB3 ASN 1 1HB ASN 1 5.203 5.471 1.760
5 HD21 ASN 1 1HD2 ASN 1 5.455 3.182 1.778
6 HD22 ASN 1 2HD2 ASN 1 6.838 2.406 2.380
7 H LEU 2 H LEU 2 8.897 5.809 1.369
8 HA LEU 2 HA LEU 2 8.997 7.118 -1.130
9 HB2 LEU 2 2HB LEU 2 10.326 4.679 0.010
10 HB3 LEU 2 1HB LEU 2 10.565 5.112 -1.681
11 HG LEU 2 HG LEU 2 12.308 6.058 -0.119
12 HD11 LEU 2 1HD1 LEU 2 11.018 8.524 -1.053
13 HD12 LEU 2 2HD1 LEU 2 12.565 7.820 -1.525
14 HD13 LEU 2 3HD1 LEU 2 11.075 7.272 -2.293
15 HD21 LEU 2 1HD2 LEU 2 11.725 7.748 1.460
16 HD22 LEU 2 2HD2 LEU 2 10.095 7.901 0.806
17 HD23 LEU 2 3HD2 LEU 2 10.551 6.456 1.709
18 H CYS 3 H CYS 3 7.695 3.987 -0.148
19 HA CYS 3 HA CYS 3 6.451 2.421 -1.295
20 HB2 CYS 3 2HB CYS 3 5.058 4.700 -1.172
21 HB3 CYS 3 1HB CYS 3 5.213 4.585 -2.924
22 H ALA 4 H ALA 4 9.030 3.273 -2.498
23 HA ALA 4 HA ALA 4 8.817 3.465 -5.308
24 HB1 ALA 4 1HB ALA 4 10.872 3.849 -3.771
25 HB2 ALA 4 2HB ALA 4 11.125 2.112 -3.938
26 HB3 ALA 4 3HB ALA 4 11.133 3.146 -5.367
27 H SER 5 H SER 5 9.030 0.693 -3.119
28 HA SER 5 HA SER 5 9.048 -1.195 -5.337
29 HB2 SER 5 2HB SER 5 10.383 -1.714 -3.368
30 HB3 SER 5 1HB SER 5 8.955 -1.610 -2.342
31 HG SER 5 HG SER 5 9.310 -3.756 -2.864
32 H LEU 6 H LEU 6 7.336 -2.314 -6.083
33 HA LEU 6 HA LEU 6 4.712 -1.445 -5.633
34 HB2 LEU 6 2HB LEU 6 4.032 -3.498 -6.839
35 HB3 LEU 6 1HB LEU 6 5.348 -2.661 -7.654
36 HG LEU 6 HG LEU 6 6.633 -4.366 -5.865
37 HD11 LEU 6 1HD1 LEU 6 5.662 -6.566 -6.429
38 HD12 LEU 6 2HD1 LEU 6 4.539 -5.578 -5.501
39 HD13 LEU 6 3HD1 LEU 6 4.325 -5.766 -7.244
40 HD21 LEU 6 1HD2 LEU 6 7.361 -3.805 -8.147
41 HD22 LEU 6 2HD2 LEU 6 7.292 -5.555 -7.946
42 HD23 LEU 6 3HD2 LEU 6 6.008 -4.717 -8.816
43 H ARG 7 H ARG 7 6.686 -3.665 -3.882
44 HA ARG 7 HA ARG 7 4.754 -5.286 -2.658
45 HB2 ARG 7 2HB ARG 7 7.246 -5.612 -2.554
46 HB3 ARG 7 1HB ARG 7 7.306 -4.301 -1.371
47 HG2 ARG 7 2HG ARG 7 5.730 -5.554 0.079
48 HG3 ARG 7 1HG ARG 7 5.732 -6.878 -1.086
49 HD2 ARG 7 2HD ARG 7 7.317 -7.419 0.660
50 HD3 ARG 7 1HD ARG 7 8.222 -7.039 -0.803
51 HE ARG 7 HE ARG 7 7.870 -4.707 0.804
52 HH11 ARG 7 1HH1 ARG 7 9.615 -7.685 0.540
53 HH12 ARG 7 2HH1 ARG 7 11.002 -7.107 1.403
54 HH21 ARG 7 1HH2 ARG 7 9.686 -3.943 1.935
55 HH22 ARG 7 2HH2 ARG 7 11.042 -4.990 2.193
56 H ALA 8 H ALA 8 5.722 -1.988 -2.051
57 HA ALA 8 HA ALA 8 4.726 -1.635 0.555
58 HB1 ALA 8 1HB ALA 8 5.152 0.187 -1.798
59 HB2 ALA 8 2HB ALA 8 4.412 0.792 -0.321
60 HB3 ALA 8 3HB ALA 8 6.037 0.120 -0.274
61 H ARG 9 H ARG 9 3.130 -1.384 -2.598
62 HA ARG 9 HA ARG 9 0.662 -0.403 -1.683
63 HB2 ARG 9 2HB ARG 9 1.349 -2.154 -4.049
64 HB3 ARG 9 1HB ARG 9 -0.262 -1.490 -3.770
65 HG2 ARG 9 2HG ARG 9 0.648 0.788 -3.792
66 HG3 ARG 9 1HG ARG 9 2.278 0.149 -4.012
67 HD2 ARG 9 2HD ARG 9 1.374 0.851 -6.174
68 HD3 ARG 9 1HD ARG 9 1.554 -0.901 -6.146
69 HE ARG 9 HE ARG 9 -0.770 -1.099 -6.235
70 HH11 ARG 9 1HH1 ARG 9 0.214 2.145 -5.543
71 HH12 ARG 9 2HH1 ARG 9 -1.371 2.815 -5.744
72 HH21 ARG 9 1HH2 ARG 9 -2.852 -0.226 -6.500
73 HH22 ARG 9 2HH2 ARG 9 -3.105 1.474 -6.286
74 H HIS 10 H HIS 10 2.140 -3.439 -1.190
75 HA HIS 10 HA HIS 10 -0.438 -4.725 -0.558
76 HB2 HIS 10 2HB HIS 10 2.343 -5.851 -0.923
77 HB3 HIS 10 1HB HIS 10 0.945 -6.805 -0.425
78 HD1 HIS 10 1HD HIS 10 2.256 -4.796 -3.351
79 HD2 HIS 10 2HD HIS 10 -0.849 -7.447 -2.505
80 HE1 HIS 10 1HE HIS 10 1.170 -5.360 -5.569
81 HE2 HIS 10 2HE HIS 10 -0.724 -6.975 -5.069
82 H THR 11 H THR 11 2.866 -4.728 0.794
83 HA THR 11 HA THR 11 1.928 -5.358 3.431
84 HB THR 11 HB THR 11 4.275 -5.064 4.087
85 HG1 THR 11 1HG THR 11 5.462 -3.789 2.952
86 HG21 THR 11 1HG2 THR 11 3.665 -6.601 1.568
87 HG22 THR 11 2HG2 THR 11 5.253 -6.682 2.333
88 HG23 THR 11 3HG2 THR 11 3.821 -7.212 3.215
89 H ILE 12 H ILE 12 2.242 -2.481 1.642
90 HA ILE 12 HA ILE 12 1.952 -0.872 4.108
91 HB ILE 12 HB ILE 12 3.266 0.115 1.581
92 HG12 ILE 12 2HG1 ILE 12 4.491 -1.829 2.799
93 HG13 ILE 12 1HG1 ILE 12 5.375 -0.357 2.431
94 HG21 ILE 12 1HG2 ILE 12 4.225 1.742 3.252
95 HG22 ILE 12 2HG2 ILE 12 2.510 1.925 2.884
96 HG23 ILE 12 3HG2 ILE 12 3.015 1.155 4.391
97 HD11 ILE 12 1HD1 ILE 12 5.386 0.354 4.657
98 HD12 ILE 12 2HD1 ILE 12 3.976 -0.611 5.085
99 HD13 ILE 12 3HD1 ILE 12 5.534 -1.394 4.842
100 HA PRO 13 HA PRO 13 -1.748 -0.558 1.252
101 HB2 PRO 13 2HB PRO 13 -3.516 -0.409 3.401
102 HB3 PRO 13 1HB PRO 13 -3.080 -1.901 2.550
103 HG2 PRO 13 2HG PRO 13 -2.029 -0.802 5.110
104 HG3 PRO 13 1HG PRO 13 -2.413 -2.475 4.673
105 HD2 PRO 13 2HD PRO 13 0.101 -1.606 4.744
106 HD3 PRO 13 1HD PRO 13 -0.424 -2.765 3.506
107 H GLN 14 H GLN 14 -0.693 1.234 4.090
108 HA GLN 14 HA GLN 14 -2.372 3.473 3.852
109 HB2 GLN 14 2HB GLN 14 -0.604 4.667 5.122
110 HB3 GLN 14 1HB GLN 14 -0.975 3.091 5.822
111 HG2 GLN 14 2HG GLN 14 0.936 2.110 4.619
112 HG3 GLN 14 1HG GLN 14 1.333 3.694 3.958
113 HE21 GLN 14 1HE2 GLN 14 2.389 1.652 6.277
114 HE22 GLN 14 2HE2 GLN 14 2.896 2.760 7.458
115 H CYS 15 H CYS 15 0.197 2.357 1.865
116 HA CYS 15 HA CYS 15 1.096 4.786 0.763
117 HB2 CYS 15 2HB CYS 15 2.251 2.626 0.436
118 HB3 CYS 15 1HB CYS 15 0.924 2.094 -0.604
119 H ARG 16 H ARG 16 -1.769 2.898 0.234
120 HA ARG 16 HA ARG 16 -2.568 3.690 -2.283
121 HB2 ARG 16 2HB ARG 16 -4.805 3.151 -1.616
122 HB3 ARG 16 1HB ARG 16 -3.727 2.051 -0.757
123 HG2 ARG 16 2HG ARG 16 -3.776 3.741 1.168
124 HG3 ARG 16 1HG ARG 16 -5.122 4.504 0.325
125 HD2 ARG 16 2HD ARG 16 -6.357 2.367 0.347
126 HD3 ARG 16 1HD ARG 16 -5.020 1.604 1.202
127 HE ARG 16 HE ARG 16 -5.664 2.738 3.153
128 HH11 ARG 16 1HH1 ARG 16 -7.441 3.794 0.371
129 HH12 ARG 16 2HH1 ARG 16 -8.621 4.665 1.289
130 HH21 ARG 16 1HH2 ARG 16 -7.206 3.886 4.356
131 HH22 ARG 16 2HH2 ARG 16 -8.487 4.719 3.543
132 H LYS 17 H LYS 17 -2.365 5.559 0.616
133 HA LYS 17 HA LYS 17 -4.220 7.604 0.067
134 HB2 LYS 17 2HB LYS 17 -1.626 7.604 1.621
135 HB3 LYS 17 1HB LYS 17 -2.721 8.986 1.564
136 HG2 LYS 17 2HG LYS 17 -4.544 7.598 2.461
137 HG3 LYS 17 1HG LYS 17 -3.469 6.199 2.499
138 HD2 LYS 17 2HD LYS 17 -1.980 7.389 4.074
139 HD3 LYS 17 1HD LYS 17 -3.063 8.779 4.044
140 HE2 LYS 17 2HE LYS 17 -3.850 5.987 4.931
141 HE3 LYS 17 1HE LYS 17 -3.470 7.323 6.018
142 HZ1 LYS 17 1HZ LYS 17 -5.265 8.487 4.467
143 HZ2 LYS 17 2HZ LYS 17 -5.823 6.886 4.366
144 HZ3 LYS 17 3HZ LYS 17 -5.683 7.640 5.878
145 H PHE 18 H PHE 18 -0.867 7.123 -0.917
146 HA PHE 18 HA PHE 18 -0.461 9.670 -2.091
147 HB2 PHE 18 2HB PHE 18 0.836 6.982 -2.462
148 HB3 PHE 18 1HB PHE 18 1.289 8.358 -3.471
149 HD1 PHE 18 1HD PHE 18 1.259 6.994 -0.047
150 HD2 PHE 18 2HD PHE 18 2.409 10.304 -2.534
151 HE1 PHE 18 1HE PHE 18 2.684 7.876 1.780
152 HE2 PHE 18 2HE PHE 18 3.832 11.183 -0.706
153 HZ PHE 18 HZ PHE 18 3.966 9.970 1.447
154 H GLY 19 H GLY 19 -1.715 6.616 -3.379
155 HA2 GLY 19 2HA GLY 19 -3.121 6.258 -5.188
156 HA3 GLY 19 1HA GLY 19 -3.144 7.996 -5.468
157 H ARG 20 H ARG 20 -0.052 6.516 -5.171
158 HA ARG 20 HA ARG 20 0.735 7.309 -7.791
159 HB2 ARG 20 2HB ARG 20 2.307 7.179 -5.886
160 HB3 ARG 20 1HB ARG 20 2.122 5.425 -5.869
161 HG2 ARG 20 2HG ARG 20 3.030 5.257 -8.122
162 HG3 ARG 20 1HG ARG 20 3.098 7.015 -8.259
163 HD2 ARG 20 2HD ARG 20 4.602 5.416 -6.173
164 HD3 ARG 20 1HD ARG 20 5.307 5.969 -7.689
165 HE ARG 20 HE ARG 20 4.189 8.202 -6.425
166 HH11 ARG 20 1HH1 ARG 20 6.659 5.834 -5.916
167 HH12 ARG 20 2HH1 ARG 20 7.675 6.890 -4.992
168 HH21 ARG 20 1HH2 ARG 20 5.516 9.594 -5.215
169 HH22 ARG 20 2HH2 ARG 20 7.027 9.019 -4.595
170 H ARG 21 H ARG 21 0.706 6.228 -9.665
171 HA ARG 21 HA ARG 21 0.811 3.389 -9.875
172 HB2 ARG 21 2HB ARG 21 -1.482 3.428 -9.147
173 HB3 ARG 21 1HB ARG 21 -1.874 4.724 -10.275
174 HG2 ARG 21 2HG ARG 21 -1.577 3.287 -12.172
175 HG3 ARG 21 1HG ARG 21 -0.843 2.026 -11.181
176 HD2 ARG 21 2HD ARG 21 -3.675 3.002 -10.771
177 HD3 ARG 21 1HD ARG 21 -3.274 1.639 -11.810
178 HE ARG 21 HE ARG 21 -2.071 1.180 -9.322
179 HH11 ARG 21 1HH1 ARG 21 -5.214 1.543 -10.722
180 HH12 ARG 21 2HH1 ARG 21 -5.994 0.500 -9.582
181 HH21 ARG 21 1HH2 ARG 21 -3.085 -0.200 -7.832
182 HH22 ARG 21 2HH2 ARG 21 -4.789 -0.487 -7.945
Start of MODEL 18
1 H1 ASN 1 H ASN 1 11.191 2.780 3.708
2 HA ASN 1 HA ASN 1 12.182 3.027 1.476
3 HB2 ASN 1 2HB ASN 1 10.324 0.718 1.929
4 HB3 ASN 1 1HB ASN 1 11.155 0.881 0.383
5 HD21 ASN 1 1HD2 ASN 1 11.544 -0.050 3.709
6 HD22 ASN 1 2HD2 ASN 1 13.208 -0.375 3.635
7 H LEU 2 H LEU 2 9.534 4.583 1.802
8 HA LEU 2 HA LEU 2 8.009 5.640 0.444
9 HB2 LEU 2 2HB LEU 2 10.133 5.020 -1.623
10 HB3 LEU 2 1HB LEU 2 8.819 6.172 -1.838
11 HG LEU 2 HG LEU 2 10.917 6.322 0.350
12 HD11 LEU 2 1HD1 LEU 2 11.269 8.534 -1.204
13 HD12 LEU 2 2HD1 LEU 2 12.202 7.049 -1.382
14 HD13 LEU 2 3HD1 LEU 2 10.811 7.344 -2.423
15 HD21 LEU 2 1HD2 LEU 2 8.442 7.856 -0.289
16 HD22 LEU 2 2HD2 LEU 2 9.213 7.562 1.267
17 HD23 LEU 2 3HD2 LEU 2 9.851 8.798 0.188
18 H CYS 3 H CYS 3 7.095 5.334 -2.049
19 HA CYS 3 HA CYS 3 5.938 2.635 -1.977
20 HB2 CYS 3 2HB CYS 3 5.029 5.191 -3.307
21 HB3 CYS 3 1HB CYS 3 4.235 3.632 -3.536
22 H ALA 4 H ALA 4 8.602 3.608 -3.180
23 HA ALA 4 HA ALA 4 8.475 3.422 -5.983
24 HB1 ALA 4 1HB ALA 4 10.457 3.957 -4.232
25 HB2 ALA 4 2HB ALA 4 10.864 2.289 -4.641
26 HB3 ALA 4 3HB ALA 4 10.752 3.507 -5.912
27 H SER 5 H SER 5 8.774 0.944 -3.475
28 HA SER 5 HA SER 5 8.844 -1.164 -5.519
29 HB2 SER 5 2HB SER 5 9.124 -1.257 -2.508
30 HB3 SER 5 1HB SER 5 9.177 -2.673 -3.556
31 HG SER 5 HG SER 5 10.926 -0.439 -3.507
32 H LEU 6 H LEU 6 7.191 -2.556 -5.893
33 HA LEU 6 HA LEU 6 4.549 -1.811 -5.286
34 HB2 LEU 6 2HB LEU 6 3.926 -4.010 -6.204
35 HB3 LEU 6 1HB LEU 6 5.128 -3.212 -7.216
36 HG LEU 6 HG LEU 6 6.717 -4.583 -5.441
37 HD11 LEU 6 1HD1 LEU 6 4.565 -6.547 -6.217
38 HD12 LEU 6 2HD1 LEU 6 5.859 -6.738 -5.032
39 HD13 LEU 6 3HD1 LEU 6 4.487 -5.687 -4.681
40 HD21 LEU 6 1HD2 LEU 6 5.618 -5.460 -8.128
41 HD22 LEU 6 2HD2 LEU 6 7.065 -4.491 -7.845
42 HD23 LEU 6 3HD2 LEU 6 7.026 -6.183 -7.349
43 H ARG 7 H ARG 7 6.880 -3.462 -3.425
44 HA ARG 7 HA ARG 7 5.285 -5.170 -1.870
45 HB2 ARG 7 2HB ARG 7 7.754 -5.195 -1.822
46 HB3 ARG 7 1HB ARG 7 7.745 -3.627 -1.012
47 HG2 ARG 7 2HG ARG 7 6.539 -4.572 0.893
48 HG3 ARG 7 1HG ARG 7 6.421 -6.130 0.077
49 HD2 ARG 7 2HD ARG 7 8.262 -6.162 1.690
50 HD3 ARG 7 1HD ARG 7 8.895 -6.289 0.057
51 HE ARG 7 HE ARG 7 9.050 -3.920 1.807
52 HH11 ARG 7 1HH1 ARG 7 9.830 -5.517 -1.188
53 HH12 ARG 7 2HH1 ARG 7 11.071 -4.390 -1.609
54 HH21 ARG 7 1HH2 ARG 7 10.672 -2.454 1.229
55 HH22 ARG 7 2HH2 ARG 7 11.542 -2.662 -0.253
56 H ALA 8 H ALA 8 5.950 -1.705 -1.597
57 HA ALA 8 HA ALA 8 4.826 -1.237 0.932
58 HB1 ALA 8 1HB ALA 8 4.401 0.817 -1.143
59 HB2 ALA 8 2HB ALA 8 5.143 0.960 0.448
60 HB3 ALA 8 3HB ALA 8 6.064 0.300 -0.897
61 H ARG 9 H ARG 9 3.345 -1.015 -2.266
62 HA ARG 9 HA ARG 9 0.766 -0.330 -1.386
63 HB2 ARG 9 2HB ARG 9 1.694 -1.745 -3.891
64 HB3 ARG 9 1HB ARG 9 0.018 -1.266 -3.613
65 HG2 ARG 9 2HG ARG 9 0.688 1.072 -3.369
66 HG3 ARG 9 1HG ARG 9 2.385 0.628 -3.545
67 HD2 ARG 9 2HD ARG 9 1.960 -0.190 -5.816
68 HD3 ARG 9 1HD ARG 9 0.246 0.181 -5.646
69 HE ARG 9 HE ARG 9 0.742 2.432 -5.991
70 HH11 ARG 9 1HH1 ARG 9 3.599 0.577 -5.387
71 HH12 ARG 9 2HH1 ARG 9 4.687 1.858 -5.808
72 HH21 ARG 9 1HH2 ARG 9 2.160 4.117 -6.542
73 HH22 ARG 9 2HH2 ARG 9 3.872 3.863 -6.461
74 H HIS 10 H HIS 10 2.409 -3.412 -1.588
75 HA HIS 10 HA HIS 10 0.003 -4.979 -1.234
76 HB2 HIS 10 2HB HIS 10 1.945 -5.867 -2.452
77 HB3 HIS 10 1HB HIS 10 2.920 -5.740 -0.986
78 HD1 HIS 10 1HD HIS 10 -0.345 -7.393 -2.079
79 HD2 HIS 10 2HD HIS 10 2.831 -8.039 0.543
80 HE1 HIS 10 1HE HIS 10 -0.745 -9.655 -1.014
81 HE2 HIS 10 2HE HIS 10 1.182 -10.065 0.588
82 H THR 11 H THR 11 2.945 -4.695 0.763
83 HA THR 11 HA THR 11 1.583 -5.630 3.117
84 HB THR 11 HB THR 11 4.349 -4.450 2.821
85 HG1 THR 11 1HG THR 11 4.664 -6.304 1.902
86 HG21 THR 11 1HG2 THR 11 4.318 -4.472 5.076
87 HG22 THR 11 2HG2 THR 11 2.755 -5.286 5.109
88 HG23 THR 11 3HG2 THR 11 4.236 -6.231 4.973
89 H ILE 12 H ILE 12 2.505 -2.511 1.807
90 HA ILE 12 HA ILE 12 1.512 -1.208 4.253
91 HB ILE 12 HB ILE 12 3.108 0.088 2.064
92 HG12 ILE 12 2HG1 ILE 12 4.339 -1.828 2.980
93 HG13 ILE 12 1HG1 ILE 12 5.049 -0.308 3.485
94 HG21 ILE 12 1HG2 ILE 12 2.923 1.927 3.271
95 HG22 ILE 12 2HG2 ILE 12 1.723 1.093 4.262
96 HG23 ILE 12 3HG2 ILE 12 3.420 1.095 4.738
97 HD11 ILE 12 1HD1 ILE 12 4.995 -1.612 5.470
98 HD12 ILE 12 2HD1 ILE 12 3.557 -0.617 5.625
99 HD13 ILE 12 3HD1 ILE 12 3.417 -2.289 5.083
100 HA PRO 13 HA PRO 13 -1.847 -0.611 1.106
101 HB2 PRO 13 2HB PRO 13 -3.879 -0.495 2.953
102 HB3 PRO 13 1HB PRO 13 -3.277 -2.003 2.241
103 HG2 PRO 13 2HG PRO 13 -2.666 -0.781 4.886
104 HG3 PRO 13 1HG PRO 13 -2.944 -2.480 4.463
105 HD2 PRO 13 2HD PRO 13 -0.477 -1.470 4.872
106 HD3 PRO 13 1HD PRO 13 -0.771 -2.787 3.715
107 H GLN 14 H GLN 14 -0.908 1.146 3.955
108 HA GLN 14 HA GLN 14 -2.596 3.391 3.726
109 HB2 GLN 14 2HB GLN 14 -1.277 4.343 5.357
110 HB3 GLN 14 1HB GLN 14 -0.815 2.654 5.561
111 HG2 GLN 14 2HG GLN 14 1.030 3.182 3.801
112 HG3 GLN 14 1HG GLN 14 0.700 4.862 4.184
113 HE21 GLN 14 1HE2 GLN 14 3.194 4.241 4.863
114 HE22 GLN 14 2HE2 GLN 14 3.365 3.920 6.522
115 H CYS 15 H CYS 15 0.144 2.345 1.893
116 HA CYS 15 HA CYS 15 1.025 4.801 0.836
117 HB2 CYS 15 2HB CYS 15 2.392 2.845 0.532
118 HB3 CYS 15 1HB CYS 15 1.089 2.007 -0.310
119 H ARG 16 H ARG 16 -1.836 2.999 0.292
120 HA ARG 16 HA ARG 16 -2.468 3.634 -2.345
121 HB2 ARG 16 2HB ARG 16 -4.749 3.169 -1.760
122 HB3 ARG 16 1HB ARG 16 -3.733 2.083 -0.809
123 HG2 ARG 16 2HG ARG 16 -3.850 3.795 1.067
124 HG3 ARG 16 1HG ARG 16 -5.083 4.631 0.127
125 HD2 ARG 16 2HD ARG 16 -6.460 2.590 0.100
126 HD3 ARG 16 1HD ARG 16 -5.241 1.755 1.056
127 HE ARG 16 HE ARG 16 -6.049 4.143 2.370
128 HH11 ARG 16 1HH1 ARG 16 -7.090 0.949 1.547
129 HH12 ARG 16 2HH1 ARG 16 -8.141 0.789 2.914
130 HH21 ARG 16 1HH2 ARG 16 -7.422 3.942 4.169
131 HH22 ARG 16 2HH2 ARG 16 -8.329 2.484 4.399
132 H LYS 17 H LYS 17 -2.625 5.572 0.573
133 HA LYS 17 HA LYS 17 -4.301 7.641 -0.359
134 HB2 LYS 17 2HB LYS 17 -2.090 7.620 1.700
135 HB3 LYS 17 1HB LYS 17 -3.127 9.015 1.405
136 HG2 LYS 17 2HG LYS 17 -5.117 7.633 1.886
137 HG3 LYS 17 1HG LYS 17 -4.074 6.248 2.206
138 HD2 LYS 17 2HD LYS 17 -2.974 7.499 4.034
139 HD3 LYS 17 1HD LYS 17 -4.039 8.872 3.727
140 HE2 LYS 17 2HE LYS 17 -4.975 6.092 4.496
141 HE3 LYS 17 1HE LYS 17 -4.853 7.457 5.604
142 HZ1 LYS 17 1HZ LYS 17 -7.082 6.915 4.383
143 HZ2 LYS 17 2HZ LYS 17 -6.602 8.524 4.638
144 HZ3 LYS 17 3HZ LYS 17 -6.374 7.802 3.124
145 H PHE 18 H PHE 18 -0.793 7.164 -0.545
146 HA PHE 18 HA PHE 18 -0.219 9.691 -1.726
147 HB2 PHE 18 2HB PHE 18 1.292 7.091 -1.548
148 HB3 PHE 18 1HB PHE 18 1.931 8.482 -2.425
149 HD1 PHE 18 1HD PHE 18 1.021 7.146 0.878
150 HD2 PHE 18 2HD PHE 18 2.533 10.547 -1.264
151 HE1 PHE 18 1HE PHE 18 1.770 8.158 3.014
152 HE2 PHE 18 2HE PHE 18 3.281 11.559 0.871
153 HZ PHE 18 HZ PHE 18 2.896 10.365 3.006
154 H GLY 19 H GLY 19 -0.898 6.471 -3.023
155 HA2 GLY 19 2HA GLY 19 -0.303 6.990 -5.730
156 HA3 GLY 19 1HA GLY 19 -1.399 5.742 -5.150
157 H ARG 20 H ARG 20 -3.295 7.374 -3.866
158 HA ARG 20 HA ARG 20 -4.294 9.199 -5.934
159 HB2 ARG 20 2HB ARG 20 -5.243 6.976 -6.473
160 HB3 ARG 20 1HB ARG 20 -5.922 6.889 -4.847
161 HG2 ARG 20 2HG ARG 20 -7.282 8.875 -5.265
162 HG3 ARG 20 1HG ARG 20 -6.545 9.072 -6.856
163 HD2 ARG 20 2HD ARG 20 -8.713 7.980 -7.099
164 HD3 ARG 20 1HD ARG 20 -7.433 6.842 -7.510
165 HE ARG 20 HE ARG 20 -8.117 6.625 -4.751
166 HH11 ARG 20 1HH1 ARG 20 -9.205 5.904 -7.956
167 HH12 ARG 20 2HH1 ARG 20 -10.134 4.523 -7.479
168 HH21 ARG 20 1HH2 ARG 20 -9.332 4.814 -4.118
169 HH22 ARG 20 2HH2 ARG 20 -10.205 3.904 -5.306
170 H ARG 21 H ARG 21 -5.378 10.909 -5.107
171 HA ARG 21 HA ARG 21 -5.742 10.966 -2.180
172 HB2 ARG 21 2HB ARG 21 -5.434 13.179 -4.219
173 HB3 ARG 21 1HB ARG 21 -5.825 13.456 -2.521
174 HG2 ARG 21 2HG ARG 21 -3.754 12.309 -1.844
175 HG3 ARG 21 1HG ARG 21 -3.363 12.007 -3.536
176 HD2 ARG 21 2HD ARG 21 -3.288 14.429 -3.962
177 HD3 ARG 21 1HD ARG 21 -3.705 14.745 -2.280
178 HE ARG 21 HE ARG 21 -1.511 14.227 -1.683
179 HH11 ARG 21 1HH1 ARG 21 -2.203 13.298 -4.943
180 HH12 ARG 21 2HH1 ARG 21 -0.555 12.947 -5.340
181 HH21 ARG 21 1HH2 ARG 21 0.656 13.770 -2.197
182 HH22 ARG 21 2HH2 ARG 21 1.064 13.214 -3.784
Start of MODEL 19
1 H1 ASN 1 H ASN 1 13.195 3.821 0.159
2 HA ASN 1 HA ASN 1 12.426 6.345 0.123
3 HB2 ASN 1 2HB ASN 1 11.289 5.091 -2.383
4 HB3 ASN 1 1HB ASN 1 10.656 6.573 -1.668
5 HD21 ASN 1 1HD2 ASN 1 11.883 6.488 -4.293
6 HD22 ASN 1 2HD2 ASN 1 13.304 7.414 -4.223
7 H LEU 2 H LEU 2 9.876 6.696 0.250
8 HA LEU 2 HA LEU 2 8.951 5.016 2.321
9 HB2 LEU 2 2HB LEU 2 7.510 7.009 0.556
10 HB3 LEU 2 1HB LEU 2 6.753 6.206 1.923
11 HG LEU 2 HG LEU 2 9.320 7.809 2.128
12 HD11 LEU 2 1HD1 LEU 2 7.378 9.221 1.451
13 HD12 LEU 2 2HD1 LEU 2 6.498 8.640 2.864
14 HD13 LEU 2 3HD1 LEU 2 7.960 9.605 3.072
15 HD21 LEU 2 1HD2 LEU 2 9.345 6.573 4.058
16 HD22 LEU 2 2HD2 LEU 2 8.191 7.794 4.596
17 HD23 LEU 2 3HD2 LEU 2 7.621 6.239 4.001
18 H CYS 3 H CYS 3 8.245 5.116 -1.146
19 HA CYS 3 HA CYS 3 7.105 2.412 -0.920
20 HB2 CYS 3 2HB CYS 3 5.814 4.802 -2.230
21 HB3 CYS 3 1HB CYS 3 5.379 3.147 -2.654
22 H ALA 4 H ALA 4 6.655 4.043 -3.873
23 HA ALA 4 HA ALA 4 7.553 3.733 -5.964
24 HB1 ALA 4 1HB ALA 4 9.659 4.516 -4.223
25 HB2 ALA 4 2HB ALA 4 10.296 3.273 -5.302
26 HB3 ALA 4 3HB ALA 4 9.559 4.730 -5.971
27 H SER 5 H SER 5 7.078 1.362 -3.959
28 HA SER 5 HA SER 5 8.086 -0.667 -5.825
29 HB2 SER 5 2HB SER 5 8.930 -2.067 -4.013
30 HB3 SER 5 1HB SER 5 9.744 -0.505 -3.986
31 HG SER 5 HG SER 5 8.038 -1.655 -2.167
32 H LEU 6 H LEU 6 6.795 -2.495 -5.961
33 HA LEU 6 HA LEU 6 4.063 -2.213 -5.331
34 HB2 LEU 6 2HB LEU 6 3.897 -4.604 -6.002
35 HB3 LEU 6 1HB LEU 6 4.776 -3.629 -7.169
36 HG LEU 6 HG LEU 6 6.710 -4.506 -5.320
37 HD11 LEU 6 1HD1 LEU 6 6.426 -6.983 -5.555
38 HD12 LEU 6 2HD1 LEU 6 5.209 -6.235 -4.526
39 HD13 LEU 6 3HD1 LEU 6 4.809 -6.708 -6.179
40 HD21 LEU 6 1HD2 LEU 6 7.052 -4.112 -7.725
41 HD22 LEU 6 2HD2 LEU 6 7.559 -5.746 -7.294
42 HD23 LEU 6 3HD2 LEU 6 6.014 -5.486 -8.106
43 H ARG 7 H ARG 7 6.737 -3.437 -3.514
44 HA ARG 7 HA ARG 7 5.433 -5.186 -1.755
45 HB2 ARG 7 2HB ARG 7 7.929 -4.822 -1.961
46 HB3 ARG 7 1HB ARG 7 7.717 -3.338 -1.029
47 HG2 ARG 7 2HG ARG 7 8.171 -4.822 0.691
48 HG3 ARG 7 1HG ARG 7 6.419 -4.977 0.621
49 HD2 ARG 7 2HD ARG 7 7.346 -7.201 0.653
50 HD3 ARG 7 1HD ARG 7 6.718 -6.910 -0.960
51 HE ARG 7 HE ARG 7 9.469 -6.186 -0.818
52 HH11 ARG 7 1HH1 ARG 7 7.294 -8.874 -0.923
53 HH12 ARG 7 2HH1 ARG 7 8.429 -9.941 -1.681
54 HH21 ARG 7 1HH2 ARG 7 10.964 -7.579 -1.812
55 HH22 ARG 7 2HH2 ARG 7 10.506 -9.207 -2.184
56 H ALA 8 H ALA 8 5.874 -1.667 -1.626
57 HA ALA 8 HA ALA 8 4.734 -1.282 0.938
58 HB1 ALA 8 1HB ALA 8 6.082 0.431 -0.201
59 HB2 ALA 8 2HB ALA 8 4.820 0.612 -1.418
60 HB3 ALA 8 3HB ALA 8 4.501 1.063 0.257
61 H ARG 9 H ARG 9 3.329 -1.110 -2.311
62 HA ARG 9 HA ARG 9 0.721 -0.387 -1.509
63 HB2 ARG 9 2HB ARG 9 1.741 -1.826 -3.969
64 HB3 ARG 9 1HB ARG 9 0.057 -1.341 -3.761
65 HG2 ARG 9 2HG ARG 9 0.748 1.002 -3.486
66 HG3 ARG 9 1HG ARG 9 2.440 0.532 -3.658
67 HD2 ARG 9 2HD ARG 9 1.996 -0.297 -5.928
68 HD3 ARG 9 1HD ARG 9 0.293 0.125 -5.760
69 HE ARG 9 HE ARG 9 1.824 2.433 -5.261
70 HH11 ARG 9 1HH1 ARG 9 1.057 0.220 -7.808
71 HH12 ARG 9 2HH1 ARG 9 1.239 1.393 -9.070
72 HH21 ARG 9 1HH2 ARG 9 2.062 3.977 -6.910
73 HH22 ARG 9 2HH2 ARG 9 1.807 3.520 -8.561
74 H HIS 10 H HIS 10 2.433 -3.365 -1.338
75 HA HIS 10 HA HIS 10 -0.029 -4.936 -1.057
76 HB2 HIS 10 2HB HIS 10 1.808 -5.877 -2.405
77 HB3 HIS 10 1HB HIS 10 2.877 -5.794 -1.003
78 HD1 HIS 10 1HD HIS 10 -0.464 -7.377 -1.958
79 HD2 HIS 10 2HD HIS 10 2.775 -8.067 0.570
80 HE1 HIS 10 1HE HIS 10 -0.875 -9.624 -0.865
81 HE2 HIS 10 2HE HIS 10 1.092 -10.060 0.681
82 H THR 11 H THR 11 3.021 -4.578 0.771
83 HA THR 11 HA THR 11 1.752 -5.555 3.182
84 HB THR 11 HB THR 11 3.985 -5.257 4.183
85 HG1 THR 11 1HG THR 11 4.256 -3.682 1.979
86 HG21 THR 11 1HG2 THR 11 4.330 -6.475 1.445
87 HG22 THR 11 2HG2 THR 11 5.046 -6.994 2.971
88 HG23 THR 11 3HG2 THR 11 3.325 -7.240 2.677
89 H ILE 12 H ILE 12 2.213 -2.539 1.681
90 HA ILE 12 HA ILE 12 1.533 -1.152 4.189
91 HB ILE 12 HB ILE 12 3.114 0.113 1.972
92 HG12 ILE 12 2HG1 ILE 12 4.217 -1.955 3.100
93 HG13 ILE 12 1HG1 ILE 12 5.113 -0.448 3.069
94 HG21 ILE 12 1HG2 ILE 12 3.770 1.559 3.959
95 HG22 ILE 12 2HG2 ILE 12 2.122 1.745 3.361
96 HG23 ILE 12 3HG2 ILE 12 2.428 0.813 4.822
97 HD11 ILE 12 1HD1 ILE 12 4.624 0.015 5.347
98 HD12 ILE 12 2HD1 ILE 12 3.331 -1.168 5.398
99 HD13 ILE 12 3HD1 ILE 12 4.996 -1.705 5.319
100 HA PRO 13 HA PRO 13 -1.843 -0.638 1.023
101 HB2 PRO 13 2HB PRO 13 -3.804 -0.541 2.982
102 HB3 PRO 13 1HB PRO 13 -3.285 -2.012 2.138
103 HG2 PRO 13 2HG PRO 13 -2.495 -0.986 4.820
104 HG3 PRO 13 1HG PRO 13 -2.826 -2.648 4.300
105 HD2 PRO 13 2HD PRO 13 -0.340 -1.760 4.645
106 HD3 PRO 13 1HD PRO 13 -0.712 -2.911 3.348
107 H GLN 14 H GLN 14 -0.758 1.090 3.809
108 HA GLN 14 HA GLN 14 -2.468 3.350 3.685
109 HB2 GLN 14 2HB GLN 14 0.361 3.034 4.718
110 HB3 GLN 14 1HB GLN 14 -0.615 4.486 4.938
111 HG2 GLN 14 2HG GLN 14 -2.342 3.155 6.093
112 HG3 GLN 14 1HG GLN 14 -1.363 1.705 5.882
113 HE21 GLN 14 1HE2 GLN 14 -0.457 1.219 7.887
114 HE22 GLN 14 2HE2 GLN 14 0.273 2.351 8.920
115 H CYS 15 H CYS 15 0.341 2.370 1.860
116 HA CYS 15 HA CYS 15 1.120 4.862 0.811
117 HB2 CYS 15 2HB CYS 15 2.320 2.588 0.663
118 HB3 CYS 15 1HB CYS 15 1.288 2.294 -0.737
119 H ARG 16 H ARG 16 -1.675 2.983 0.275
120 HA ARG 16 HA ARG 16 -2.294 3.532 -2.391
121 HB2 ARG 16 2HB ARG 16 -4.552 2.986 -1.836
122 HB3 ARG 16 1HB ARG 16 -3.531 1.991 -0.795
123 HG2 ARG 16 2HG ARG 16 -3.760 3.803 0.971
124 HG3 ARG 16 1HG ARG 16 -5.002 4.532 -0.046
125 HD2 ARG 16 2HD ARG 16 -5.076 1.699 1.015
126 HD3 ARG 16 1HD ARG 16 -5.993 3.052 1.665
127 HE ARG 16 HE ARG 16 -6.513 1.636 -0.833
128 HH11 ARG 16 1HH1 ARG 16 -7.075 4.389 1.188
129 HH12 ARG 16 2HH1 ARG 16 -8.577 4.805 0.437
130 HH21 ARG 16 1HH2 ARG 16 -8.483 2.179 -1.823
131 HH22 ARG 16 2HH2 ARG 16 -9.376 3.555 -1.267
132 H LYS 17 H LYS 17 -2.482 5.545 0.465
133 HA LYS 17 HA LYS 17 -4.222 7.541 -0.499
134 HB2 LYS 17 2HB LYS 17 -1.968 7.618 1.515
135 HB3 LYS 17 1HB LYS 17 -3.005 9.001 1.181
136 HG2 LYS 17 2HG LYS 17 -4.289 6.359 1.771
137 HG3 LYS 17 1HG LYS 17 -3.625 7.293 3.113
138 HD2 LYS 17 2HD LYS 17 -5.373 8.687 1.116
139 HD3 LYS 17 1HD LYS 17 -6.126 7.672 2.341
140 HE2 LYS 17 2HE LYS 17 -5.042 8.942 4.116
141 HE3 LYS 17 1HE LYS 17 -4.161 9.905 2.936
142 HZ1 LYS 17 1HZ LYS 17 -6.979 10.004 3.681
143 HZ2 LYS 17 2HZ LYS 17 -5.912 11.268 3.293
144 HZ3 LYS 17 3HZ LYS 17 -6.590 10.324 2.059
145 H PHE 18 H PHE 18 -0.711 7.149 -0.756
146 HA PHE 18 HA PHE 18 -0.255 9.646 -2.063
147 HB2 PHE 18 2HB PHE 18 1.373 7.123 -1.803
148 HB3 PHE 18 1HB PHE 18 1.942 8.524 -2.711
149 HD1 PHE 18 1HD PHE 18 1.018 7.256 0.631
150 HD2 PHE 18 2HD PHE 18 2.548 10.593 -1.596
151 HE1 PHE 18 1HE PHE 18 1.732 8.337 2.745
152 HE2 PHE 18 2HE PHE 18 3.262 11.677 0.519
153 HZ PHE 18 HZ PHE 18 2.850 10.547 2.683
154 H GLY 19 H GLY 19 -0.842 6.340 -3.167
155 HA2 GLY 19 2HA GLY 19 -0.298 6.725 -5.909
156 HA3 GLY 19 1HA GLY 19 -1.350 5.479 -5.241
157 H ARG 20 H ARG 20 -3.257 7.159 -4.006
158 HA ARG 20 HA ARG 20 -4.468 8.515 -6.344
159 HB2 ARG 20 2HB ARG 20 -5.584 6.365 -5.870
160 HB3 ARG 20 1HB ARG 20 -5.891 6.900 -4.218
161 HG2 ARG 20 2HG ARG 20 -7.245 8.767 -5.036
162 HG3 ARG 20 1HG ARG 20 -6.879 8.325 -6.705
163 HD2 ARG 20 2HD ARG 20 -7.991 6.152 -6.376
164 HD3 ARG 20 1HD ARG 20 -8.346 6.582 -4.705
165 HE ARG 20 HE ARG 20 -9.694 7.585 -7.080
166 HH11 ARG 20 1HH1 ARG 20 -8.983 7.966 -3.716
167 HH12 ARG 20 2HH1 ARG 20 -10.375 8.945 -3.391
168 HH21 ARG 20 1HH2 ARG 20 -11.522 8.867 -6.663
169 HH22 ARG 20 2HH2 ARG 20 -11.813 9.455 -5.059
170 H ARG 21 H ARG 21 -5.047 10.565 -6.026
171 HA ARG 21 HA ARG 21 -4.846 11.669 -3.316
172 HB2 ARG 21 2HB ARG 21 -4.987 13.873 -4.546
173 HB3 ARG 21 1HB ARG 21 -3.584 12.885 -4.952
174 HG2 ARG 21 2HG ARG 21 -4.711 12.058 -6.963
175 HG3 ARG 21 1HG ARG 21 -6.161 12.972 -6.548
176 HD2 ARG 21 2HD ARG 21 -4.882 14.223 -8.197
177 HD3 ARG 21 1HD ARG 21 -4.819 15.072 -6.655
178 HE ARG 21 HE ARG 21 -2.602 13.315 -6.870
179 HH11 ARG 21 1HH1 ARG 21 -3.915 16.254 -8.142
180 HH12 ARG 21 2HH1 ARG 21 -2.371 16.945 -8.512
181 HH21 ARG 21 1HH2 ARG 21 -0.573 14.215 -7.354
182 HH22 ARG 21 2HH2 ARG 21 -0.479 15.791 -8.066
Start of MODEL 20
1 H1 ASN 1 H ASN 1 10.101 9.656 0.654
2 HA ASN 1 HA ASN 1 10.638 7.598 2.246
3 HB2 ASN 1 2HB ASN 1 7.634 7.744 1.976
4 HB3 ASN 1 1HB ASN 1 8.484 6.265 2.418
5 HD21 ASN 1 1HD2 ASN 1 6.653 7.645 4.199
6 HD22 ASN 1 2HD2 ASN 1 7.558 8.197 5.526
7 H LEU 2 H LEU 2 10.071 5.333 1.289
8 HA LEU 2 HA LEU 2 10.222 5.588 -1.647
9 HB2 LEU 2 2HB LEU 2 11.609 3.915 0.336
10 HB3 LEU 2 1HB LEU 2 11.055 3.038 -1.088
11 HG LEU 2 HG LEU 2 13.371 3.990 -1.325
12 HD11 LEU 2 1HD1 LEU 2 12.933 4.018 -3.530
13 HD12 LEU 2 2HD1 LEU 2 11.209 4.079 -3.163
14 HD13 LEU 2 3HD1 LEU 2 12.120 5.574 -3.380
15 HD21 LEU 2 1HD2 LEU 2 12.330 6.184 -0.084
16 HD22 LEU 2 2HD2 LEU 2 13.813 6.206 -1.036
17 HD23 LEU 2 3HD2 LEU 2 12.288 6.709 -1.766
18 H CYS 3 H CYS 3 8.569 4.902 -2.799
19 HA CYS 3 HA CYS 3 6.827 2.778 -1.708
20 HB2 CYS 3 2HB CYS 3 6.135 5.512 -2.462
21 HB3 CYS 3 1HB CYS 3 5.170 4.308 -3.313
22 H ALA 4 H ALA 4 9.011 3.425 -3.977
23 HA ALA 4 HA ALA 4 7.795 2.778 -6.433
24 HB1 ALA 4 1HB ALA 4 10.426 3.262 -5.482
25 HB2 ALA 4 2HB ALA 4 10.454 1.723 -6.342
26 HB3 ALA 4 3HB ALA 4 9.875 3.177 -7.156
27 H SER 5 H SER 5 9.181 0.751 -3.878
28 HA SER 5 HA SER 5 8.978 -1.705 -5.297
29 HB2 SER 5 2HB SER 5 9.307 -2.752 -3.118
30 HB3 SER 5 1HB SER 5 10.400 -1.381 -3.290
31 HG SER 5 HG SER 5 8.513 -1.808 -1.448
32 H LEU 6 H LEU 6 7.311 -3.061 -5.588
33 HA LEU 6 HA LEU 6 4.648 -2.212 -5.146
34 HB2 LEU 6 2HB LEU 6 4.028 -4.476 -5.912
35 HB3 LEU 6 1HB LEU 6 5.244 -3.745 -6.961
36 HG LEU 6 HG LEU 6 6.811 -4.997 -5.079
37 HD11 LEU 6 1HD1 LEU 6 4.659 -7.001 -5.751
38 HD12 LEU 6 2HD1 LEU 6 5.942 -7.125 -4.549
39 HD13 LEU 6 3HD1 LEU 6 4.576 -6.047 -4.270
40 HD21 LEU 6 1HD2 LEU 6 7.070 -6.763 -6.886
41 HD22 LEU 6 2HD2 LEU 6 5.748 -5.969 -7.743
42 HD23 LEU 6 3HD2 LEU 6 7.251 -5.098 -7.441
43 H ARG 7 H ARG 7 6.921 -3.766 -3.130
44 HA ARG 7 HA ARG 7 5.247 -5.324 -1.498
45 HB2 ARG 7 2HB ARG 7 7.781 -5.297 -1.497
46 HB3 ARG 7 1HB ARG 7 7.690 -3.799 -0.570
47 HG2 ARG 7 2HG ARG 7 7.819 -5.342 1.159
48 HG3 ARG 7 1HG ARG 7 6.070 -5.243 0.965
49 HD2 ARG 7 2HD ARG 7 6.788 -7.590 1.071
50 HD3 ARG 7 1HD ARG 7 6.131 -7.227 -0.520
51 HE ARG 7 HE ARG 7 8.266 -7.512 -1.423
52 HH11 ARG 7 1HH1 ARG 7 8.331 -7.378 2.034
53 HH12 ARG 7 2HH1 ARG 7 9.985 -7.878 2.161
54 HH21 ARG 7 1HH2 ARG 7 10.437 -8.165 -1.266
55 HH22 ARG 7 2HH2 ARG 7 11.177 -8.324 0.292
56 H ALA 8 H ALA 8 6.114 -1.882 -1.393
57 HA ALA 8 HA ALA 8 4.895 -1.250 1.076
58 HB1 ALA 8 1HB ALA 8 6.443 0.245 -0.129
59 HB2 ALA 8 2HB ALA 8 5.210 0.503 -1.362
60 HB3 ALA 8 3HB ALA 8 4.932 1.054 0.290
61 H ARG 9 H ARG 9 3.628 -1.138 -2.228
62 HA ARG 9 HA ARG 9 1.097 -0.115 -1.588
63 HB2 ARG 9 2HB ARG 9 2.010 -1.890 -3.860
64 HB3 ARG 9 1HB ARG 9 0.387 -1.203 -3.754
65 HG2 ARG 9 2HG ARG 9 1.327 1.064 -3.681
66 HG3 ARG 9 1HG ARG 9 2.960 0.400 -3.740
67 HD2 ARG 9 2HD ARG 9 2.487 -0.600 -5.935
68 HD3 ARG 9 1HD ARG 9 0.844 0.030 -5.878
69 HE ARG 9 HE ARG 9 2.615 2.186 -5.537
70 HH11 ARG 9 1HH1 ARG 9 1.706 -0.179 -7.893
71 HH12 ARG 9 2HH1 ARG 9 2.065 0.835 -9.250
72 HH21 ARG 9 1HH2 ARG 9 3.078 3.525 -7.313
73 HH22 ARG 9 2HH2 ARG 9 2.841 2.932 -8.923
74 H HIS 10 H HIS 10 2.307 -3.446 -1.671
75 HA HIS 10 HA HIS 10 -0.265 -4.618 -1.142
76 HB2 HIS 10 2HB HIS 10 1.618 -5.781 -2.315
77 HB3 HIS 10 1HB HIS 10 2.477 -5.829 -0.771
78 HD1 HIS 10 1HD HIS 10 1.347 -7.238 1.168
79 HD2 HIS 10 2HD HIS 10 -0.418 -7.707 -2.580
80 HE1 HIS 10 1HE HIS 10 -0.126 -9.293 1.322
81 HE2 HIS 10 2HE HIS 10 -1.209 -9.592 -0.956
82 H THR 11 H THR 11 2.727 -4.625 0.789
83 HA THR 11 HA THR 11 1.419 -5.353 3.204
84 HB THR 11 HB THR 11 4.153 -4.117 2.781
85 HG1 THR 11 1HG THR 11 3.081 -6.650 2.536
86 HG21 THR 11 1HG2 THR 11 2.733 -5.288 5.160
87 HG22 THR 11 2HG2 THR 11 4.487 -5.417 5.027
88 HG23 THR 11 3HG2 THR 11 3.720 -3.829 5.063
89 H ILE 12 H ILE 12 2.480 -2.279 1.840
90 HA ILE 12 HA ILE 12 1.322 -0.888 4.159
91 HB ILE 12 HB ILE 12 3.097 0.416 2.112
92 HG12 ILE 12 2HG1 ILE 12 4.151 -1.725 3.107
93 HG13 ILE 12 1HG1 ILE 12 5.049 -0.219 3.270
94 HG21 ILE 12 1HG2 ILE 12 3.723 1.727 4.161
95 HG22 ILE 12 2HG2 ILE 12 2.081 1.967 3.573
96 HG23 ILE 12 3HG2 ILE 12 2.376 0.951 4.990
97 HD11 ILE 12 1HD1 ILE 12 4.850 -1.703 5.366
98 HD12 ILE 12 2HD1 ILE 12 4.449 -0.003 5.565
99 HD13 ILE 12 3HD1 ILE 12 3.169 -1.199 5.429
100 HA PRO 13 HA PRO 13 -1.701 -0.255 0.676
101 HB2 PRO 13 2HB PRO 13 -3.871 -0.035 2.377
102 HB3 PRO 13 1HB PRO 13 -3.312 -1.558 1.656
103 HG2 PRO 13 2HG PRO 13 -2.815 -0.458 4.379
104 HG3 PRO 13 1HG PRO 13 -3.165 -2.122 3.880
105 HD2 PRO 13 2HD PRO 13 -0.674 -1.338 4.492
106 HD3 PRO 13 1HD PRO 13 -0.968 -2.529 3.205
107 H GLN 14 H GLN 14 -0.836 1.462 3.543
108 HA GLN 14 HA GLN 14 -2.416 3.770 3.247
109 HB2 GLN 14 2HB GLN 14 0.348 3.375 4.415
110 HB3 GLN 14 1HB GLN 14 -0.561 4.883 4.540
111 HG2 GLN 14 2HG GLN 14 -2.340 3.795 5.753
112 HG3 GLN 14 1HG GLN 14 -1.627 2.206 5.473
113 HE21 GLN 14 1HE2 GLN 14 0.183 1.568 6.795
114 HE22 GLN 14 2HE2 GLN 14 0.703 2.490 8.120
115 H CYS 15 H CYS 15 0.466 2.673 1.627
116 HA CYS 15 HA CYS 15 1.321 5.109 0.502
117 HB2 CYS 15 2HB CYS 15 2.667 3.011 0.511
118 HB3 CYS 15 1HB CYS 15 1.560 2.338 -0.686
119 H ARG 16 H ARG 16 -1.011 2.668 -0.581
120 HA ARG 16 HA ARG 16 -1.472 3.776 -3.128
121 HB2 ARG 16 2HB ARG 16 -3.075 2.162 -3.369
122 HB3 ARG 16 1HB ARG 16 -2.245 1.497 -1.961
123 HG2 ARG 16 2HG ARG 16 -3.904 2.813 -0.544
124 HG3 ARG 16 1HG ARG 16 -4.822 3.082 -2.013
125 HD2 ARG 16 2HD ARG 16 -4.025 0.358 -0.963
126 HD3 ARG 16 1HD ARG 16 -5.602 1.098 -0.706
127 HE ARG 16 HE ARG 16 -5.104 1.138 -3.456
128 HH11 ARG 16 1HH1 ARG 16 -5.506 -1.112 -0.870
129 HH12 ARG 16 2HH1 ARG 16 -6.180 -2.357 -1.868
130 HH21 ARG 16 1HH2 ARG 16 -5.982 -0.473 -4.778
131 HH22 ARG 16 2HH2 ARG 16 -6.450 -1.992 -4.092
132 H LYS 17 H LYS 17 -2.912 4.383 0.035
133 HA LYS 17 HA LYS 17 -5.053 6.011 -0.831
134 HB2 LYS 17 2HB LYS 17 -3.519 5.932 1.770
135 HB3 LYS 17 1HB LYS 17 -4.942 6.943 1.520
136 HG2 LYS 17 2HG LYS 17 -6.263 4.934 0.938
137 HG3 LYS 17 1HG LYS 17 -4.843 3.929 1.212
138 HD2 LYS 17 2HD LYS 17 -4.752 4.631 3.553
139 HD3 LYS 17 1HD LYS 17 -6.127 5.706 3.302
140 HE2 LYS 17 2HE LYS 17 -6.893 3.615 4.318
141 HE3 LYS 17 1HE LYS 17 -7.517 3.740 2.673
142 HZ1 LYS 17 1HZ LYS 17 -6.217 2.064 1.949
143 HZ2 LYS 17 2HZ LYS 17 -4.932 2.439 2.995
144 HZ3 LYS 17 3HZ LYS 17 -6.280 1.589 3.579
145 H PHE 18 H PHE 18 -1.717 6.800 0.055
146 HA PHE 18 HA PHE 18 -2.032 9.622 -0.217
147 HB2 PHE 18 2HB PHE 18 0.323 7.769 -0.058
148 HB3 PHE 18 1HB PHE 18 0.553 9.472 -0.461
149 HD1 PHE 18 1HD PHE 18 0.268 7.156 2.206
150 HD2 PHE 18 2HD PHE 18 -0.754 11.172 1.076
151 HE1 PHE 18 1HE PHE 18 0.039 7.773 4.599
152 HE2 PHE 18 2HE PHE 18 -0.984 11.788 3.464
153 HZ PHE 18 HZ PHE 18 -0.589 10.089 5.222
154 H GLY 19 H GLY 19 -1.038 7.025 -2.388
155 HA2 GLY 19 2HA GLY 19 -0.087 8.585 -4.524
156 HA3 GLY 19 1HA GLY 19 -0.732 6.953 -4.666
157 H ARG 20 H ARG 20 -3.352 7.442 -3.741
158 HA ARG 20 HA ARG 20 -4.411 9.162 -5.908
159 HB2 ARG 20 2HB ARG 20 -5.517 6.612 -4.711
160 HB3 ARG 20 1HB ARG 20 -6.411 7.648 -5.826
161 HG2 ARG 20 2HG ARG 20 -4.727 7.325 -7.552
162 HG3 ARG 20 1HG ARG 20 -3.711 6.412 -6.437
163 HD2 ARG 20 2HD ARG 20 -5.439 4.682 -6.246
164 HD3 ARG 20 1HD ARG 20 -6.497 5.602 -7.313
165 HE ARG 20 HE ARG 20 -4.104 5.199 -8.694
166 HH11 ARG 20 1HH1 ARG 20 -6.660 3.343 -7.280
167 HH12 ARG 20 2HH1 ARG 20 -6.524 2.038 -8.412
168 HH21 ARG 20 1HH2 ARG 20 -3.924 3.494 -10.183
169 HH22 ARG 20 2HH2 ARG 20 -4.975 2.123 -10.056
170 H ARG 21 H ARG 21 -5.601 10.839 -5.302
171 HA ARG 21 HA ARG 21 -6.484 12.402 -3.831
172 HB2 ARG 21 2HB ARG 21 -8.425 11.086 -4.578
173 HB3 ARG 21 1HB ARG 21 -8.188 9.975 -3.229
174 HG2 ARG 21 2HG ARG 21 -8.623 11.720 -1.620
175 HG3 ARG 21 1HG ARG 21 -8.632 12.952 -2.885
176 HD2 ARG 21 2HD ARG 21 -10.930 12.385 -2.272
177 HD3 ARG 21 1HD ARG 21 -10.601 11.851 -3.916
178 HE ARG 21 HE ARG 21 -10.065 9.757 -2.057
179 HH11 ARG 21 1HH1 ARG 21 -12.599 11.535 -3.603
180 HH12 ARG 21 2HH1 ARG 21 -13.745 10.237 -3.529
181 HH21 ARG 21 1HH2 ARG 21 -11.561 8.050 -1.957
182 HH22 ARG 21 2HH2 ARG 21 -13.157 8.264 -2.596