Ticket #3637: surrounding_model.cif

File surrounding_model.cif, 84.8 KB (added by Tristan Croll, 5 years ago)

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Line 
1#\#CIF_1.1
2# mmCIF
3data_model_noligand.pdb
4#
5_audit_conform.dict_name mmcif_pdbx.dic
6_audit_conform.dict_version 4.007
7_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic
8#
9_audit_syntax.case_sensitive_flag Y
10_audit_syntax.fixed_width "atom_site atom_site_anisotrop"
11#
12_citation.id chimerax
13_citation.title
14;UCSF ChimeraX: Meeting Modern Challenges in Visualization and Analysis
15;
16
17_citation.journal_abbrev "Protein Sci."
18_citation.journal_volume 27
19_citation.page_first 14
20_citation.page_last 25
21_citation.journal_issue 1
22_citation.year 2018
23_citation.pdbx_database_id_PubMed 28710774
24_citation.pdbx_database_id_DOI 10.1002/pro.3235
25#
26loop_
27_citation_author.citation_id
28_citation_author.name
29_citation_author.ordinal
30chimerax "Goddard TD" 1
31chimerax "Huang CC" 2
32chimerax "Meng EC" 3
33chimerax "Pettersen EF" 4
34chimerax "Couch GS" 5
35chimerax "Morris JH" 6
36chimerax "Ferrin TE" 7
37#
38_software.name "UCSF ChimeraX"
39_software.version 1.0/v9
40_software.location https://www.rbvi.ucsf.edu/chimerax/
41_software.classification "model building"
42_software.os Linux
43_software.type package
44_software.citation_id chimerax
45_software.pdbx_ordinal 1
46#
47loop_
48_chem_comp.id
49_chem_comp.type
50ASN "peptide linking"
51GLN "peptide linking"
52GLU "peptide linking"
53ASP "peptide linking"
54TYR "peptide linking"
55ALA "peptide linking"
56SER "peptide linking"
57ILE "peptide linking"
58MSE "peptide linking"
59GLY "peptide linking"
60LYS "peptide linking"
61TRP "peptide linking"
62PRO "peptide linking"
63VAL "peptide linking"
64THR "peptide linking"
65ARG "peptide linking"
66LEU "peptide linking"
67HIS "peptide linking"
68CYS "peptide linking"
69PHE non-polymer
70#
71loop_
72_entity.id
73_entity.type
74_entity.pdbx_description
751 polymer ?
762 non-polymer ?
773 non-polymer ?
784 non-polymer ?
795 non-polymer ?
806 non-polymer ?
81#
82loop_
83_struct_asym.id
84_struct_asym.entity_id
85A 1
86F 6
87#
88loop_
89_atom_type.symbol
90C
91N
92O
93S
94Se
95#
96loop_
97_atom_site.group_PDB
98_atom_site.id
99_atom_site.type_symbol
100_atom_site.label_atom_id
101_atom_site.label_alt_id
102_atom_site.label_comp_id
103_atom_site.label_asym_id
104_atom_site.label_entity_id
105_atom_site.label_seq_id
106_atom_site.Cartn_x
107_atom_site.Cartn_y
108_atom_site.Cartn_z
109_atom_site.auth_asym_id
110_atom_site.auth_seq_id
111_atom_site.pdbx_PDB_ins_code
112_atom_site.occupancy
113_atom_site.B_iso_or_equiv
114_atom_site.pdbx_PDB_model_num
115ATOM 1 N N . ASN A 1 1 6.475 22.295 39.105 A 495 ? 1.00 42.81 1
116ATOM 2 C CA . ASN A 1 1 7.694 21.582 38.743 A 495 ? 1.00 45.47 1
117ATOM 3 C C . ASN A 1 1 8.560 22.509 37.904 A 495 ? 1.00 45.90 1
118ATOM 4 O O . ASN A 1 1 8.079 23.096 36.925 A 495 ? 1.00 42.06 1
119ATOM 5 C CB . ASN A 1 1 7.395 20.296 37.964 A 495 ? 1.00 40.03 1
120ATOM 6 C CG . ASN A 1 1 8.617 19.393 37.822 A 495 ? 1.00 44.23 1
121ATOM 7 O OD1 . ASN A 1 1 8.899 18.565 38.698 A 495 ? 1.00 46.24 1
122ATOM 8 N ND2 . ASN A 1 1 9.359 19.565 36.733 A 495 ? 1.00 40.19 1
123ATOM 9 N N . GLN A 1 2 9.823 22.659 38.289 A 496 ? 1.00 41.29 1
124ATOM 10 C CA . GLN A 1 2 10.789 23.450 37.539 A 496 ? 1.00 49.97 1
125ATOM 11 C C . GLN A 1 2 11.805 22.484 36.938 A 496 ? 1.00 46.38 1
126ATOM 12 O O . GLN A 1 2 12.484 21.751 37.667 A 496 ? 1.00 51.83 1
127ATOM 13 C CB . GLN A 1 2 11.462 24.497 38.435 A 496 ? 1.00 51.65 1
128ATOM 14 C CG . GLN A 1 2 12.543 25.328 37.744 A 496 ? 1.00 48.71 1
129ATOM 15 C CD . GLN A 1 2 12.672 26.728 38.315 A 496 ? 1.00 48.09 1
130ATOM 16 O OE1 . GLN A 1 2 12.735 26.911 39.530 A 496 ? 1.00 48.07 1
131ATOM 17 N NE2 . GLN A 1 2 12.718 27.724 37.437 A 496 ? 1.00 48.00 1
132ATOM 18 N N . GLU A 1 3 11.878 22.454 35.615 A 497 ? 1.00 39.43 1
133ATOM 19 C CA . GLU A 1 3 12.783 21.535 34.953 A 497 ? 1.00 46.43 1
134ATOM 20 C C . GLU A 1 3 14.209 22.101 34.927 A 497 ? 1.00 48.76 1
135ATOM 21 O O . GLU A 1 3 14.433 23.310 35.059 A 497 ? 1.00 50.68 1
136ATOM 22 C CB . GLU A 1 3 12.270 21.225 33.542 A 497 ? 1.00 44.93 1
137ATOM 23 C CG . GLU A 1 3 13.039 20.116 32.850 A 497 ? 1.00 46.00 1
138ATOM 24 C CD . GLU A 1 3 12.980 18.779 33.584 A 497 ? 1.00 42.25 1
139ATOM 25 O OE1 . GLU A 1 3 11.895 18.139 33.666 A 497 ? 1.00 35.87 1
140ATOM 26 O OE2 . GLU A 1 3 14.046 18.393 34.113 A 497 ? 1.00 48.69 1
141ATOM 27 N N . ASP A 1 4 15.183 21.202 34.784 A 498 ? 1.00 44.69 1
142ATOM 28 C CA . ASP A 1 4 16.591 21.579 34.675 A 498 ? 1.00 48.25 1
143ATOM 29 C C . ASP A 1 4 16.892 21.648 33.181 A 498 ? 1.00 45.72 1
144ATOM 30 O O . ASP A 1 4 17.200 20.640 32.543 A 498 ? 1.00 46.48 1
145ATOM 31 C CB . ASP A 1 4 17.490 20.576 35.398 A 498 ? 1.00 51.58 1
146ATOM 32 C CG . ASP A 1 4 18.967 20.713 35.011 A 498 ? 1.00 53.10 1
147ATOM 33 O OD1 . ASP A 1 4 19.390 21.817 34.592 A 498 ? 1.00 49.18 1
148ATOM 34 O OD2 . ASP A 1 4 19.700 19.710 35.126 A 498 ? 1.00 56.71 1
149ATOM 35 N N . TYR A 1 5 16.798 22.852 32.613 A 499 ? 1.00 43.91 1
150ATOM 36 C CA . TYR A 1 5 16.937 22.961 31.167 A 499 ? 1.00 44.44 1
151ATOM 37 C C . TYR A 1 5 18.374 22.856 30.688 A 499 ? 1.00 42.26 1
152ATOM 38 O O . TYR A 1 5 18.589 22.596 29.499 A 499 ? 1.00 38.72 1
153ATOM 39 C CB . TYR A 1 5 16.312 24.259 30.645 A 499 ? 1.00 47.18 1
154ATOM 40 C CG . TYR A 1 5 14.881 24.450 31.088 A 499 ? 1.00 44.73 1
155ATOM 41 C CD1 . TYR A 1 5 14.571 25.075 32.290 A 499 ? 1.00 44.57 1
156ATOM 42 C CD2 . TYR A 1 5 13.836 23.919 30.335 A 499 ? 1.00 45.05 1
157ATOM 43 C CE1 . TYR A 1 5 13.249 25.222 32.697 A 499 ? 1.00 44.11 1
158ATOM 44 C CE2 . TYR A 1 5 12.526 24.057 30.733 A 499 ? 1.00 44.54 1
159ATOM 45 C CZ . TYR A 1 5 12.235 24.711 31.913 A 499 ? 1.00 43.71 1
160ATOM 46 O OH . TYR A 1 5 10.920 24.842 32.308 A 499 ? 1.00 41.22 1
161ATOM 47 N N . ALA A 1 6 19.354 23.036 31.576 A 500 ? 1.00 44.77 1
162ATOM 48 C CA . ALA A 1 6 20.748 22.990 31.145 A 500 ? 1.00 45.75 1
163ATOM 49 C C . ALA A 1 6 21.087 21.637 30.544 A 500 ? 1.00 42.10 1
164ATOM 50 O O . ALA A 1 6 21.814 21.557 29.549 A 500 ? 1.00 41.48 1
165ATOM 51 C CB . ALA A 1 6 21.678 23.307 32.317 A 500 ? 1.00 43.95 1
166ATOM 52 N N . SER A 1 7 20.548 20.560 31.117 A 501 ? 1.00 43.68 1
167ATOM 53 C CA . SER A 1 7 20.898 19.230 30.644 A 501 ? 1.00 42.47 1
168ATOM 54 C C . SER A 1 7 20.221 18.877 29.327 A 501 ? 1.00 42.17 1
169ATOM 55 O O . SER A 1 7 20.696 17.977 28.628 A 501 ? 1.00 46.30 1
170ATOM 56 C CB . SER A 1 7 20.557 18.176 31.699 A 501 ? 1.00 43.85 1
171ATOM 57 O OG . SER A 1 7 19.179 18.175 32.006 A 501 ? 1.00 47.10 1
172ATOM 58 N N . TYR A 1 8 19.141 19.561 28.958 A 502 ? 1.00 37.20 1
173ATOM 59 C CA . TYR A 1 8 18.528 19.316 27.660 A 502 ? 1.00 31.64 1
174ATOM 60 C C . TYR A 1 8 18.928 20.346 26.614 A 502 ? 1.00 33.48 1
175ATOM 61 O O . TYR A 1 8 18.647 20.156 25.427 A 502 ? 1.00 31.42 1
176ATOM 62 C CB . TYR A 1 8 16.995 19.274 27.782 A 502 ? 1.00 32.57 1
177ATOM 63 C CG . TYR A 1 8 16.504 18.162 28.679 A 502 ? 1.00 30.36 1
178ATOM 64 C CD1 . TYR A 1 8 16.270 18.381 30.032 A 502 ? 1.00 34.09 1
179ATOM 65 C CD2 . TYR A 1 8 16.381 16.865 28.192 A 502 ? 1.00 36.37 1
180ATOM 66 C CE1 . TYR A 1 8 15.829 17.367 30.858 A 502 ? 1.00 31.71 1
181ATOM 67 C CE2 . TYR A 1 8 15.970 15.835 29.014 A 502 ? 1.00 35.85 1
182ATOM 68 C CZ . TYR A 1 8 15.693 16.092 30.344 A 502 ? 1.00 37.82 1
183ATOM 69 O OH . TYR A 1 8 15.274 15.066 31.161 A 502 ? 1.00 40.58 1
184ATOM 70 N N . ILE A 1 9 19.565 21.431 27.021 A 503 ? 1.00 34.95 1
185ATOM 71 C CA . ILE A 1 9 20.006 22.445 26.078 A 503 ? 1.00 35.93 1
186ATOM 72 C C . ILE A 1 9 21.446 22.764 26.432 A 503 ? 1.00 41.02 1
187ATOM 73 O O . ILE A 1 9 21.750 23.890 26.844 A 503 ? 1.00 37.13 1
188ATOM 74 C CB . ILE A 1 9 19.137 23.715 26.153 A 503 ? 1.00 33.87 1
189ATOM 75 C CG1 . ILE A 1 9 17.646 23.375 26.049 A 503 ? 1.00 30.54 1
190ATOM 76 C CG2 . ILE A 1 9 19.508 24.680 25.024 A 503 ? 1.00 35.59 1
191ATOM 77 C CD1 . ILE A 1 9 16.724 24.617 26.210 A 503 ? 1.00 29.12 1
192HETATM 78 N N . MSE A 1 10 22.342 21.788 26.318 A 504 ? 1.00 33.62 1
193HETATM 79 C CA . MSE A 1 10 23.651 22.045 26.902 A 504 ? 1.00 41.13 1
194HETATM 80 C C . MSE A 1 10 24.533 22.902 25.985 A 504 ? 1.00 34.78 1
195HETATM 81 O O . MSE A 1 10 25.490 23.499 26.453 A 504 ? 1.00 37.55 1
196HETATM 82 C CB . MSE A 1 10 24.365 20.736 27.293 A 504 ? 1.00 46.04 1
197HETATM 83 C CG . MSE A 1 10 24.415 19.644 26.266 A 504 ? 1.00 51.20 1
198HETATM 84 Se SE . MSE A 1 10 25.967 18.433 26.567 A 504 ? 1.00 115.79 1
199HETATM 85 C CE . MSE A 1 10 25.739 18.026 28.475 A 504 ? 1.00 57.51 1
200ATOM 86 N N . ASN A 1 11 24.203 23.002 24.695 A 505 ? 1.00 30.65 1
201ATOM 87 C CA . ASN A 1 11 24.938 23.883 23.793 A 505 ? 1.00 31.11 1
202ATOM 88 C C . ASN A 1 11 24.046 24.955 23.172 A 505 ? 1.00 36.31 1
203ATOM 89 O O . ASN A 1 11 24.262 25.367 22.026 A 505 ? 1.00 30.05 1
204ATOM 90 C CB . ASN A 1 11 25.652 23.075 22.711 A 505 ? 1.00 33.06 1
205ATOM 91 C CG . ASN A 1 11 26.806 22.269 23.271 A 505 ? 1.00 36.79 1
206ATOM 92 O OD1 . ASN A 1 11 27.745 22.824 23.866 A 505 ? 1.00 30.44 1
207ATOM 93 N ND2 . ASN A 1 11 26.727 20.945 23.119 A 505 ? 1.00 37.66 1
208ATOM 94 N N . GLY A 1 12 23.035 25.417 23.926 A 506 ? 1.00 30.67 1
209ATOM 95 C CA . GLY A 1 12 22.256 26.569 23.538 A 506 ? 1.00 34.95 1
210ATOM 96 C C . GLY A 1 12 21.306 26.331 22.371 A 506 ? 1.00 32.30 1
211ATOM 97 O O . GLY A 1 12 21.086 25.212 21.907 A 506 ? 1.00 28.35 1
212ATOM 98 N N . ILE A 1 13 20.726 27.434 21.901 A 507 ? 1.00 30.04 1
213ATOM 99 C CA . ILE A 1 13 19.849 27.427 20.730 A 507 ? 1.00 31.11 1
214ATOM 100 C C . ILE A 1 13 20.357 28.525 19.813 A 507 ? 1.00 35.32 1
215ATOM 101 O O . ILE A 1 13 20.060 29.702 20.032 A 507 ? 1.00 31.29 1
216ATOM 102 C CB . ILE A 1 13 18.374 27.652 21.089 A 507 ? 1.00 22.42 1
217ATOM 103 C CG1 . ILE A 1 13 17.845 26.557 22.025 A 507 ? 1.00 31.00 1
218ATOM 104 C CG2 . ILE A 1 13 17.517 27.772 19.812 A 507 ? 1.00 23.93 1
219ATOM 105 C CD1 . ILE A 1 13 17.789 25.202 21.402 A 507 ? 1.00 30.92 1
220ATOM 106 N N . ILE A 1 14 21.125 28.161 18.793 A 508 ? 1.00 33.90 1
221ATOM 107 C CA . ILE A 1 14 21.630 29.178 17.876 A 508 ? 1.00 33.71 1
222ATOM 108 C C . ILE A 1 14 20.673 29.295 16.693 A 508 ? 1.00 34.82 1
223ATOM 109 O O . ILE A 1 14 20.071 28.311 16.248 A 508 ? 1.00 29.69 1
224ATOM 110 C CB . ILE A 1 14 23.075 28.865 17.429 A 508 ? 1.00 30.08 1
225ATOM 111 C CG1 . ILE A 1 14 23.125 27.695 16.451 A 508 ? 1.00 25.78 1
226ATOM 112 C CG2 . ILE A 1 14 23.954 28.564 18.646 A 508 ? 1.00 30.53 1
227ATOM 113 C CD1 . ILE A 1 14 24.547 27.348 16.016 A 508 ? 1.00 28.76 1
228ATOM 114 N N . LYS A 1 15 20.505 30.512 16.184 A 509 ? 1.00 30.21 1
229ATOM 115 C CA . LYS A 1 15 19.617 30.741 15.039 A 509 ? 1.00 30.22 1
230ATOM 116 C C . LYS A 1 15 20.399 30.560 13.737 A 509 ? 1.00 33.61 1
231ATOM 117 O O . LYS A 1 15 20.721 31.512 13.028 A 509 ? 1.00 33.98 1
232ATOM 118 C CB . LYS A 1 15 18.995 32.132 15.109 A 509 ? 1.00 33.04 1
233ATOM 119 C CG . LYS A 1 15 18.364 32.497 16.441 A 509 ? 1.00 37.31 1
234ATOM 120 C CD . LYS A 1 15 16.850 32.541 16.361 A 509 ? 1.00 34.12 1
235ATOM 121 C CE . LYS A 1 15 16.279 33.444 17.447 A 509 ? 1.00 34.60 1
236ATOM 122 N NZ . LYS A 1 15 14.804 33.298 17.585 A 509 ? 1.00 34.29 1
237ATOM 123 N N . TRP A 1 16 20.685 29.298 13.413 A 510 ? 1.00 31.91 1
238ATOM 124 C CA . TRP A 1 16 21.465 29.021 12.216 A 510 ? 1.00 30.02 1
239ATOM 125 C C . TRP A 1 16 20.642 29.205 10.955 A 510 ? 1.00 30.00 1
240ATOM 126 O O . TRP A 1 16 21.216 29.288 9.861 A 510 ? 1.00 33.13 1
241ATOM 127 C CB . TRP A 1 16 22.049 27.592 12.250 A 510 ? 1.00 32.06 1
242ATOM 128 C CG . TRP A 1 16 21.016 26.483 12.506 A 510 ? 1.00 33.42 1
243ATOM 129 C CD1 . TRP A 1 16 20.779 25.853 13.698 A 510 ? 1.00 32.30 1
244ATOM 130 C CD2 . TRP A 1 16 20.094 25.901 11.561 A 510 ? 1.00 29.04 1
245ATOM 131 N NE1 . TRP A 1 16 19.781 24.921 13.553 A 510 ? 1.00 29.03 1
246ATOM 132 C CE2 . TRP A 1 16 19.343 24.930 12.255 A 510 ? 1.00 30.33 1
247ATOM 133 C CE3 . TRP A 1 16 19.832 26.111 10.199 A 510 ? 1.00 31.48 1
248ATOM 134 C CZ2 . TRP A 1 16 18.348 24.162 11.635 A 510 ? 1.00 26.00 1
249ATOM 135 C CZ3 . TRP A 1 16 18.847 25.359 9.585 A 510 ? 1.00 29.72 1
250ATOM 136 C CH2 . TRP A 1 16 18.118 24.386 10.306 A 510 ? 1.00 31.79 1
251ATOM 137 N N . GLY A 1 17 19.326 29.282 11.084 A 511 ? 1.00 29.53 1
252ATOM 138 C CA . GLY A 1 17 18.451 29.366 9.929 A 511 ? 1.00 31.14 1
253ATOM 139 C C . GLY A 1 17 17.049 29.736 10.358 A 511 ? 1.00 34.55 1
254ATOM 140 O O . GLY A 1 17 16.711 29.693 11.544 A 511 ? 1.00 34.45 1
255ATOM 141 N N . ASP A 1 18 16.238 30.107 9.356 A 512 ? 1.00 35.84 1
256ATOM 142 C CA . ASP A 1 18 14.824 30.421 9.582 A 512 ? 1.00 36.73 1
257ATOM 143 C C . ASP A 1 18 14.015 29.296 10.218 A 512 ? 1.00 36.55 1
258ATOM 144 O O . ASP A 1 18 13.063 29.604 10.963 A 512 ? 1.00 31.03 1
259ATOM 145 C CB . ASP A 1 18 14.140 30.793 8.259 A 512 ? 1.00 40.93 1
260ATOM 146 C CG . ASP A 1 18 14.701 32.042 7.635 A 512 ? 1.00 46.07 1
261ATOM 147 O OD1 . ASP A 1 18 14.702 33.092 8.304 A 512 ? 1.00 42.72 1
262ATOM 148 O OD2 . ASP A 1 18 15.087 31.976 6.450 A 512 ? 1.00 53.24 1
263ATOM 149 N N . PRO A 1 19 14.254 28.015 9.934 A 513 ? 1.00 34.61 1
264ATOM 150 C CA . PRO A 1 19 13.465 26.990 10.631 A 513 ? 1.00 32.96 1
265ATOM 151 C C . PRO A 1 19 13.606 27.016 12.146 A 513 ? 1.00 30.12 1
266ATOM 152 O O . PRO A 1 19 12.634 26.686 12.845 A 513 ? 1.00 28.73 1
267ATOM 153 C CB . PRO A 1 19 13.967 25.684 9.991 A 513 ? 1.00 34.04 1
268ATOM 154 C CG . PRO A 1 19 15.247 25.984 9.486 A 513 ? 1.00 32.18 1
269ATOM 155 C CD . PRO A 1 19 15.127 27.380 8.935 A 513 ? 1.00 33.57 1
270ATOM 156 N N . VAL A 1 20 14.761 27.424 12.684 A 514 ? 1.00 28.40 1
271ATOM 157 C CA . VAL A 1 20 14.870 27.556 14.131 A 514 ? 1.00 29.77 1
272ATOM 158 C C . VAL A 1 20 13.824 28.536 14.640 A 514 ? 1.00 31.19 1
273ATOM 159 O O . VAL A 1 20 13.109 28.264 15.613 A 514 ? 1.00 32.31 1
274ATOM 160 C CB . VAL A 1 20 16.284 27.992 14.547 A 514 ? 1.00 27.45 1
275ATOM 161 C CG1 . VAL A 1 20 16.333 28.194 16.058 A 514 ? 1.00 27.25 1
276ATOM 162 C CG2 . VAL A 1 20 17.322 26.992 14.086 A 514 ? 1.00 30.06 1
277ATOM 163 N N . THR A 1 21 13.710 29.690 13.979 A 515 ? 1.00 31.18 1
278ATOM 164 C CA . THR A 1 21 12.753 30.693 14.430 A 515 ? 1.00 33.07 1
279ATOM 165 C C . THR A 1 21 11.320 30.206 14.209 A 515 ? 1.00 31.03 1
280ATOM 166 O O . THR A 1 21 10.433 30.454 15.039 A 515 ? 1.00 30.16 1
281ATOM 167 C CB . THR A 1 21 13.013 32.021 13.700 A 515 ? 1.00 35.19 1
282ATOM 168 O OG1 . THR A 1 21 14.363 32.461 13.953 A 515 ? 1.00 28.71 1
283ATOM 169 C CG2 . THR A 1 21 12.060 33.089 14.206 A 515 ? 1.00 35.78 1
284ATOM 170 N N . ARG A 1 22 11.083 29.502 13.095 A 516 ? 1.00 31.52 1
285ATOM 171 C CA . ARG A 1 22 9.759 28.955 12.801 A 516 ? 1.00 36.02 1
286ATOM 172 C C . ARG A 1 22 9.301 27.989 13.883 A 516 ? 1.00 31.94 1
287ATOM 173 O O . ARG A 1 22 8.139 28.027 14.307 A 516 ? 1.00 27.67 1
288ATOM 174 C CB . ARG A 1 22 9.767 28.244 11.444 A 516 ? 1.00 36.62 1
289ATOM 175 C CG . ARG A 1 22 8.488 27.441 11.168 A 516 ? 1.00 38.91 1
290ATOM 176 C CD . ARG A 1 22 8.533 26.741 9.799 A 516 ? 1.00 42.39 1
291ATOM 177 N NE . ARG A 1 22 9.635 25.787 9.649 A 516 ? 1.00 42.48 1
292ATOM 178 C CZ . ARG A 1 22 9.784 24.644 10.315 A 516 ? 1.00 41.35 1
293ATOM 179 N NH1 . ARG A 1 22 8.845 24.175 11.121 A 516 ? 1.00 39.53 1
294ATOM 180 N NH2 . ARG A 1 22 10.898 23.938 10.144 A 516 ? 1.00 37.72 1
295ATOM 181 N N . VAL A 1 23 10.206 27.111 14.325 A 517 ? 1.00 28.62 1
296ATOM 182 C CA . VAL A 1 23 9.893 26.101 15.336 A 517 ? 1.00 29.54 1
297ATOM 183 C C . VAL A 1 23 9.528 26.772 16.646 A 517 ? 1.00 27.55 1
298ATOM 184 O O . VAL A 1 23 8.473 26.507 17.231 A 517 ? 1.00 22.66 1
299ATOM 185 C CB . VAL A 1 23 11.090 25.131 15.505 A 517 ? 1.00 24.59 1
300ATOM 186 C CG1 . VAL A 1 23 10.888 24.173 16.692 A 517 ? 1.00 22.43 1
301ATOM 187 C CG2 . VAL A 1 23 11.271 24.327 14.245 A 517 ? 1.00 25.95 1
302ATOM 188 N N . LEU A 1 24 10.372 27.703 17.095 A 518 ? 1.00 29.06 1
303ATOM 189 C CA . LEU A 1 24 10.091 28.425 18.335 A 518 ? 1.00 27.54 1
304ATOM 190 C C . LEU A 1 24 8.815 29.256 18.239 A 518 ? 1.00 29.11 1
305ATOM 191 O O . LEU A 1 24 8.057 29.345 19.213 A 518 ? 1.00 26.63 1
306ATOM 192 C CB . LEU A 1 24 11.287 29.304 18.707 A 518 ? 1.00 26.29 1
307ATOM 193 C CG . LEU A 1 24 12.577 28.581 19.065 A 518 ? 1.00 24.42 1
308ATOM 194 C CD1 . LEU A 1 24 13.735 29.580 19.297 A 518 ? 1.00 30.58 1
309ATOM 195 C CD2 . LEU A 1 24 12.367 27.725 20.286 A 518 ? 1.00 31.10 1
310ATOM 196 N N . ASP A 1 25 8.557 29.881 17.082 A 519 ? 1.00 31.73 1
311ATOM 197 C CA . ASP A 1 25 7.336 30.677 16.959 A 519 ? 1.00 29.63 1
312ATOM 198 C C . ASP A 1 25 6.088 29.797 16.984 A 519 ? 1.00 31.80 1
313ATOM 199 O O . ASP A 1 25 5.085 30.146 17.629 A 519 ? 1.00 30.51 1
314ATOM 200 C CB . ASP A 1 25 7.321 31.519 15.677 A 519 ? 1.00 29.49 1
315ATOM 201 C CG . ASP A 1 25 8.332 32.642 15.691 A 519 ? 1.00 38.22 1
316ATOM 202 O OD1 . ASP A 1 25 8.660 33.126 16.791 A 519 ? 1.00 36.31 1
317ATOM 203 O OD2 . ASP A 1 25 8.663 33.155 14.591 A 519 ? 1.00 37.19 1
318ATOM 204 N N . ASP A 1 26 6.113 28.677 16.259 A 520 ? 1.00 31.59 1
319ATOM 205 C CA . ASP A 1 26 4.972 27.767 16.279 A 520 ? 1.00 31.79 1
320ATOM 206 C C . ASP A 1 26 4.721 27.230 17.677 A 520 ? 1.00 29.06 1
321ATOM 207 O O . ASP A 1 26 3.573 26.983 18.058 A 520 ? 1.00 29.94 1
322ATOM 208 C CB . ASP A 1 26 5.184 26.602 15.326 A 520 ? 1.00 31.67 1
323ATOM 209 C CG . ASP A 1 26 5.264 27.026 13.900 A 520 ? 1.00 35.15 1
324ATOM 210 O OD1 . ASP A 1 26 4.574 27.998 13.534 A 520 ? 1.00 39.80 1
325ATOM 211 O OD2 . ASP A 1 26 5.931 26.306 13.122 A 520 ? 1.00 40.48 1
326ATOM 212 N N . GLY A 1 27 5.783 26.996 18.439 A 521 ? 1.00 29.95 1
327ATOM 213 C CA . GLY A 1 27 5.608 26.544 19.807 A 521 ? 1.00 27.87 1
328ATOM 214 C C . GLY A 1 27 4.920 27.584 20.662 A 521 ? 1.00 28.88 1
329ATOM 215 O O . GLY A 1 27 4.002 27.268 21.427 A 521 ? 1.00 29.53 1
330ATOM 216 N N . GLU A 1 28 5.319 28.852 20.509 A 522 ? 1.00 32.49 1
331ATOM 217 C CA . GLU A 1 28 4.711 29.908 21.306 A 522 ? 1.00 28.73 1
332ATOM 218 C C . GLU A 1 28 3.232 30.072 20.985 A 522 ? 1.00 26.23 1
333ATOM 219 O O . GLU A 1 28 2.440 30.385 21.879 A 522 ? 1.00 27.59 1
334ATOM 220 C CB . GLU A 1 28 5.446 31.230 21.075 A 522 ? 1.00 28.54 1
335ATOM 221 C CG . GLU A 1 28 6.196 31.687 22.313 A 522 ? 1.00 35.68 1
336ATOM 222 C CD . GLU A 1 28 5.360 31.589 23.572 A 522 ? 1.00 31.66 1
337ATOM 223 O OE1 . GLU A 1 28 5.808 30.928 24.533 A 522 ? 1.00 31.94 1
338ATOM 224 O OE2 . GLU A 1 28 4.259 32.177 23.605 A 522 ? 1.00 31.60 1
339ATOM 225 N N . LEU A 1 29 1.263 27.657 20.190 A 524 ? 1.00 28.45 1
340ATOM 226 C CA . LEU A 1 29 0.596 26.532 20.828 A 524 ? 1.00 27.54 1
341ATOM 227 C C . LEU A 1 29 0.519 26.720 22.330 A 524 ? 1.00 24.02 1
342ATOM 228 O O . LEU A 1 29 -0.471 26.340 22.953 A 524 ? 1.00 30.83 1
343ATOM 229 C CB . LEU A 1 29 1.318 25.225 20.475 A 524 ? 1.00 25.96 1
344ATOM 230 C CG . LEU A 1 29 1.220 24.978 18.969 A 524 ? 1.00 28.03 1
345ATOM 231 C CD1 . LEU A 1 29 2.145 23.884 18.451 A 524 ? 1.00 23.94 1
346ATOM 232 C CD2 . LEU A 1 29 -0.206 24.634 18.658 A 524 ? 1.00 28.66 1
347ATOM 233 N N . VAL A 1 30 1.565 27.276 22.934 A 525 ? 1.00 28.08 1
348ATOM 234 C CA . VAL A 1 30 1.470 27.704 24.325 A 525 ? 1.00 27.13 1
349ATOM 235 C C . VAL A 1 30 0.333 28.697 24.484 A 525 ? 1.00 31.16 1
350ATOM 236 O O . VAL A 1 30 -0.429 28.647 25.454 A 525 ? 1.00 27.43 1
351ATOM 237 C CB . VAL A 1 30 2.809 28.316 24.782 A 525 ? 1.00 27.40 1
352ATOM 238 C CG1 . VAL A 1 30 2.680 29.038 26.128 A 525 ? 1.00 28.22 1
353ATOM 239 C CG2 . VAL A 1 30 3.879 27.226 24.874 A 525 ? 1.00 29.37 1
354ATOM 240 N N . VAL A 1 31 1.630 18.538 20.476 A 539 ? 1.00 20.84 1
355ATOM 241 C CA . VAL A 1 31 2.409 18.781 19.278 A 539 ? 1.00 23.83 1
356ATOM 242 C C . VAL A 1 31 3.564 17.799 19.277 A 539 ? 1.00 22.35 1
357ATOM 243 O O . VAL A 1 31 4.176 17.538 20.320 A 539 ? 1.00 21.72 1
358ATOM 244 C CB . VAL A 1 31 2.875 20.263 19.190 A 539 ? 1.00 17.16 1
359ATOM 245 C CG1 . VAL A 1 31 3.725 20.680 20.410 A 539 ? 1.00 19.53 1
360ATOM 246 C CG2 . VAL A 1 31 3.651 20.487 17.905 A 539 ? 1.00 23.95 1
361ATOM 247 N N . LEU A 1 32 3.833 17.224 18.114 A 540 ? 1.00 22.79 1
362ATOM 248 C CA . LEU A 1 32 4.983 16.350 17.920 A 540 ? 1.00 20.46 1
363ATOM 249 C C . LEU A 1 32 6.065 17.097 17.151 A 540 ? 1.00 22.26 1
364ATOM 250 O O . LEU A 1 32 5.852 17.475 15.993 A 540 ? 1.00 24.50 1
365ATOM 251 C CB . LEU A 1 32 4.557 15.091 17.160 A 540 ? 1.00 21.93 1
366ATOM 252 C CG . LEU A 1 32 5.699 14.129 16.791 A 540 ? 1.00 18.50 1
367ATOM 253 C CD1 . LEU A 1 32 6.229 13.476 18.053 A 540 ? 1.00 20.53 1
368ATOM 254 C CD2 . LEU A 1 32 5.241 13.076 15.763 A 540 ? 1.00 18.83 1
369ATOM 255 N N . LEU A 1 33 7.222 17.336 17.796 A 541 ? 1.00 22.15 1
370ATOM 256 C CA . LEU A 1 33 8.396 17.823 17.079 A 541 ? 1.00 22.87 1
371ATOM 257 C C . LEU A 1 33 9.079 16.626 16.450 A 541 ? 1.00 22.91 1
372ATOM 258 O O . LEU A 1 33 9.455 15.689 17.159 A 541 ? 1.00 21.96 1
373ATOM 259 C CB . LEU A 1 33 9.399 18.542 17.984 A 541 ? 1.00 20.92 1
374ATOM 260 C CG . LEU A 1 33 9.056 19.839 18.726 A 541 ? 1.00 25.88 1
375ATOM 261 C CD1 . LEU A 1 33 10.327 20.663 19.117 A 541 ? 1.00 24.32 1
376ATOM 262 C CD2 . LEU A 1 33 7.967 20.673 18.099 A 541 ? 1.00 27.98 1
377ATOM 263 N N . GLU A 1 34 9.253 16.643 15.133 A 542 ? 1.00 22.44 1
378ATOM 264 C CA . GLU A 1 34 9.832 15.483 14.473 A 542 ? 1.00 23.78 1
379ATOM 265 C C . GLU A 1 34 10.805 15.922 13.398 A 542 ? 1.00 24.65 1
380ATOM 266 O O . GLU A 1 34 10.608 16.941 12.739 A 542 ? 1.00 24.92 1
381ATOM 267 C CB . GLU A 1 34 8.731 14.601 13.876 A 542 ? 1.00 23.02 1
382ATOM 268 C CG . GLU A 1 34 7.905 15.198 12.690 A 542 ? 1.00 25.37 1
383ATOM 269 C CD . GLU A 1 34 8.636 15.219 11.352 A 542 ? 1.00 26.86 1
384ATOM 270 O OE1 . GLU A 1 34 9.456 14.305 11.081 A 542 ? 1.00 20.08 1
385ATOM 271 O OE2 . GLU A 1 34 8.288 16.070 10.509 A 542 ? 1.00 29.60 1
386ATOM 272 N N . GLY A 1 35 11.851 15.125 13.215 A 543 ? 1.00 24.53 1
387ATOM 273 C CA . GLY A 1 35 12.787 15.359 12.152 A 543 ? 1.00 23.56 1
388ATOM 274 C C . GLY A 1 35 13.842 14.277 12.138 A 543 ? 1.00 27.55 1
389ATOM 275 O O . GLY A 1 35 13.755 13.272 12.842 A 543 ? 1.00 27.62 1
390ATOM 276 N N . PRO A 1 36 14.863 14.457 11.330 A 544 ? 1.00 28.67 1
391ATOM 277 C CA . PRO A 1 36 15.914 13.471 11.284 A 544 ? 1.00 25.36 1
392ATOM 278 C C . PRO A 1 36 16.643 13.388 12.615 A 544 ? 1.00 22.22 1
393ATOM 279 O O . PRO A 1 36 16.527 14.289 13.464 A 544 ? 1.00 24.29 1
394ATOM 280 C CB . PRO A 1 36 16.807 13.981 10.145 A 544 ? 1.00 26.15 1
395ATOM 281 C CG . PRO A 1 36 16.595 15.450 10.187 A 544 ? 1.00 30.00 1
396ATOM 282 C CD . PRO A 1 36 15.135 15.602 10.436 A 544 ? 1.00 21.88 1
397ATOM 283 N N . PRO A 1 37 17.335 12.278 12.874 A 545 ? 1.00 23.69 1
398ATOM 284 C CA . PRO A 1 37 18.158 12.202 14.089 A 545 ? 1.00 21.45 1
399ATOM 285 C C . PRO A 1 37 19.156 13.349 14.149 A 545 ? 1.00 23.97 1
400ATOM 286 O O . PRO A 1 37 19.658 13.818 13.127 A 545 ? 1.00 25.67 1
401ATOM 287 C CB . PRO A 1 37 18.848 10.831 13.974 A 545 ? 1.00 30.36 1
402ATOM 288 C CG . PRO A 1 37 18.742 10.462 12.524 A 545 ? 1.00 36.35 1
403ATOM 289 C CD . PRO A 1 37 17.442 11.059 12.045 A 545 ? 1.00 21.27 1
404ATOM 290 N N . HIS A 1 38 19.372 13.846 15.363 A 546 ? 1.00 20.40 1
405ATOM 291 C CA . HIS A 1 38 20.385 14.849 15.682 A 546 ? 1.00 27.77 1
406ATOM 292 C C . HIS A 1 38 20.034 16.254 15.193 A 546 ? 1.00 23.80 1
407ATOM 293 O O . HIS A 1 38 20.902 17.148 15.255 A 546 ? 1.00 24.94 1
408ATOM 294 C CB . HIS A 1 38 21.744 14.443 15.105 A 546 ? 1.00 21.91 1
409ATOM 295 C CG . HIS A 1 38 22.135 13.026 15.406 A 546 ? 1.00 31.31 1
410ATOM 296 N ND1 . HIS A 1 38 23.020 12.322 14.621 A 546 ? 1.00 30.68 1
411ATOM 297 C CD2 . HIS A 1 38 21.778 12.194 16.414 A 546 ? 1.00 27.41 1
412ATOM 298 C CE1 . HIS A 1 38 23.175 11.107 15.117 A 546 ? 1.00 34.66 1
413ATOM 299 N NE2 . HIS A 1 38 22.435 11.004 16.206 A 546 ? 1.00 31.11 1
414ATOM 300 N N . SER A 1 39 18.811 16.499 14.717 A 547 ? 1.00 19.12 1
415ATOM 301 C CA . SER A 1 39 18.481 17.842 14.211 A 547 ? 1.00 21.77 1
416ATOM 302 C C . SER A 1 39 18.155 18.850 15.316 A 547 ? 1.00 23.81 1
417ATOM 303 O O . SER A 1 39 17.901 20.026 15.009 A 547 ? 1.00 23.29 1
418ATOM 304 C CB . SER A 1 39 17.304 17.772 13.226 A 547 ? 1.00 25.51 1
419ATOM 305 O OG . SER A 1 39 16.090 17.344 13.859 A 547 ? 1.00 28.28 1
420ATOM 306 N N . GLY A 1 40 18.134 18.437 16.576 A 548 ? 1.00 20.42 1
421ATOM 307 C CA . GLY A 1 40 17.917 19.340 17.687 A 548 ? 1.00 22.96 1
422ATOM 308 C C . GLY A 1 40 16.531 19.299 18.297 A 548 ? 1.00 29.59 1
423ATOM 309 O O . GLY A 1 40 16.107 20.293 18.909 A 548 ? 1.00 19.87 1
424ATOM 310 N N . LYS A 1 41 15.822 18.174 18.185 A 549 ? 1.00 25.60 1
425ATOM 311 C CA . LYS A 1 41 14.395 18.178 18.511 A 549 ? 1.00 19.61 1
426ATOM 312 C C . LYS A 1 41 14.188 18.339 20.007 A 549 ? 1.00 17.91 1
427ATOM 313 O O . LYS A 1 41 13.334 19.131 20.445 A 549 ? 1.00 22.50 1
428ATOM 314 C CB . LYS A 1 41 13.785 16.872 17.999 A 549 ? 1.00 27.19 1
429ATOM 315 C CG . LYS A 1 41 14.027 16.688 16.495 A 549 ? 1.00 30.18 1
430ATOM 316 C CD . LYS A 1 41 13.667 15.306 16.034 A 549 ? 1.00 29.43 1
431ATOM 317 C CE . LYS A 1 41 14.548 14.236 16.635 A 549 ? 1.00 24.17 1
432ATOM 318 N NZ . LYS A 1 41 16.002 14.282 16.178 A 549 ? 1.00 24.85 1
433ATOM 319 N N . THR A 1 42 15.003 17.642 20.801 A 550 ? 1.00 20.30 1
434ATOM 320 C CA . THR A 1 42 14.858 17.668 22.255 A 550 ? 1.00 20.91 1
435ATOM 321 C C . THR A 1 42 15.133 19.049 22.821 A 550 ? 1.00 23.49 1
436ATOM 322 O O . THR A 1 42 14.388 19.541 23.677 A 550 ? 1.00 20.69 1
437ATOM 323 C CB . THR A 1 42 15.787 16.638 22.900 A 550 ? 1.00 21.60 1
438ATOM 324 O OG1 . THR A 1 42 15.388 15.328 22.482 A 550 ? 1.00 18.41 1
439ATOM 325 C CG2 . THR A 1 42 15.685 16.698 24.405 A 550 ? 1.00 20.35 1
440ATOM 326 N N . ALA A 1 43 16.217 19.693 22.360 A 551 ? 1.00 23.35 1
441ATOM 327 C CA . ALA A 1 43 16.569 21.002 22.889 A 551 ? 1.00 23.34 1
442ATOM 328 C C . ALA A 1 43 15.518 22.047 22.519 A 551 ? 1.00 21.39 1
443ATOM 329 O O . ALA A 1 43 15.232 22.955 23.306 A 551 ? 1.00 22.25 1
444ATOM 330 C CB . ALA A 1 43 17.947 21.413 22.370 A 551 ? 1.00 24.23 1
445ATOM 331 N N . LEU A 1 44 14.953 21.951 21.318 A 552 ? 1.00 22.27 1
446ATOM 332 C CA . LEU A 1 44 13.918 22.893 20.918 A 552 ? 1.00 23.43 1
447ATOM 333 C C . LEU A 1 44 12.622 22.647 21.681 A 552 ? 1.00 26.70 1
448ATOM 334 O O . LEU A 1 44 11.932 23.607 22.057 A 552 ? 1.00 24.61 1
449ATOM 335 C CB . LEU A 1 44 13.701 22.809 19.406 A 552 ? 1.00 24.43 1
450ATOM 336 C CG . LEU A 1 44 14.783 23.514 18.573 A 552 ? 1.00 23.76 1
451ATOM 337 C CD1 . LEU A 1 44 14.593 23.185 17.112 A 552 ? 1.00 27.48 1
452ATOM 338 C CD2 . LEU A 1 44 14.653 25.070 18.793 A 552 ? 1.00 21.65 1
453ATOM 339 N N . ALA A 1 45 12.263 21.375 21.914 A 553 ? 1.00 21.34 1
454ATOM 340 C CA . ALA A 1 45 11.103 21.085 22.762 A 553 ? 1.00 22.94 1
455ATOM 341 C C . ALA A 1 45 11.313 21.615 24.175 A 553 ? 1.00 21.98 1
456ATOM 342 O O . ALA A 1 45 10.389 22.172 24.784 A 553 ? 1.00 26.67 1
457ATOM 343 C CB . ALA A 1 45 10.807 19.561 22.807 A 553 ? 1.00 18.70 1
458ATOM 344 N N . ALA A 1 46 12.508 21.417 24.725 A 554 ? 1.00 21.03 1
459ATOM 345 C CA . ALA A 1 46 12.826 21.965 26.039 A 554 ? 1.00 23.00 1
460ATOM 346 C C . ALA A 1 46 12.721 23.488 26.037 A 554 ? 1.00 26.36 1
461ATOM 347 O O . ALA A 1 46 12.225 24.083 27.004 A 554 ? 1.00 24.71 1
462ATOM 348 C CB . ALA A 1 46 14.229 21.532 26.470 A 554 ? 1.00 23.74 1
463ATOM 349 N N . LYS A 1 47 13.171 24.127 24.951 A 555 ? 1.00 23.87 1
464ATOM 350 C CA . LYS A 1 47 13.140 25.587 24.876 A 555 ? 1.00 26.37 1
465ATOM 351 C C . LYS A 1 47 11.702 26.106 24.794 A 555 ? 1.00 25.86 1
466ATOM 352 O O . LYS A 1 47 11.329 27.026 25.526 A 555 ? 1.00 27.80 1
467ATOM 353 C CB . LYS A 1 47 13.962 26.072 23.682 A 555 ? 1.00 29.89 1
468ATOM 354 C CG . LYS A 1 47 14.057 27.638 23.556 A 555 ? 1.00 29.12 1
469ATOM 355 C CD . LYS A 1 47 14.798 28.259 24.737 A 555 ? 1.00 30.66 1
470ATOM 356 C CE . LYS A 1 47 14.989 29.777 24.564 A 555 ? 1.00 44.62 1
471ATOM 357 N NZ . LYS A 1 47 15.783 30.385 25.679 A 555 ? 1.00 51.25 1
472ATOM 358 N N . ILE A 1 48 10.877 25.519 23.913 A 556 ? 1.00 22.91 1
473ATOM 359 C CA . ILE A 1 48 9.452 25.870 23.860 A 556 ? 1.00 26.52 1
474ATOM 360 C C . ILE A 1 48 8.826 25.734 25.243 A 556 ? 1.00 30.12 1
475ATOM 361 O O . ILE A 1 48 8.093 26.616 25.707 A 556 ? 1.00 31.02 1
476ATOM 362 C CB . ILE A 1 48 8.713 24.984 22.840 A 556 ? 1.00 22.37 1
477ATOM 363 C CG1 . ILE A 1 48 9.220 25.246 21.419 A 556 ? 1.00 27.75 1
478ATOM 364 C CG2 . ILE A 1 48 7.186 25.235 22.932 A 556 ? 1.00 24.28 1
479ATOM 365 C CD1 . ILE A 1 48 8.613 24.318 20.372 A 556 ? 1.00 26.02 1
480ATOM 366 N N . ALA A 1 49 9.111 24.615 25.929 A 557 ? 1.00 24.85 1
481ATOM 367 C CA . ALA A 1 49 8.533 24.405 27.253 A 557 ? 1.00 26.09 1
482ATOM 368 C C . ALA A 1 49 9.012 25.468 28.230 A 557 ? 1.00 34.02 1
483ATOM 369 O O . ALA A 1 49 8.209 26.027 28.994 A 557 ? 1.00 34.68 1
484ATOM 370 C CB . ALA A 1 49 8.873 23.001 27.768 A 557 ? 1.00 24.05 1
485ATOM 371 N N . GLU A 1 50 10.314 25.782 28.194 A 558 ? 1.00 31.12 1
486ATOM 372 C CA . GLU A 1 50 10.885 26.790 29.085 A 558 ? 1.00 31.06 1
487ATOM 373 C C . GLU A 1 50 10.215 28.148 28.888 A 558 ? 1.00 32.31 1
488ATOM 374 O O . GLU A 1 50 9.845 28.813 29.860 A 558 ? 1.00 31.67 1
489ATOM 375 C CB . GLU A 1 50 12.394 26.911 28.855 A 558 ? 1.00 37.21 1
490ATOM 376 C CG . GLU A 1 50 13.080 27.844 29.867 A 558 ? 1.00 42.09 1
491ATOM 377 C CD . GLU A 1 50 14.573 28.059 29.606 A 558 ? 1.00 48.13 1
492ATOM 378 O OE1 . GLU A 1 50 15.091 27.570 28.579 A 558 ? 1.00 42.14 1
493ATOM 379 O OE2 . GLU A 1 50 15.240 28.690 30.457 A 558 ? 1.00 52.43 1
494ATOM 380 N N . GLU A 1 51 10.042 28.565 27.633 A 559 ? 1.00 31.76 1
495ATOM 381 C CA . GLU A 1 51 9.454 29.853 27.305 A 559 ? 1.00 33.75 1
496ATOM 382 C C . GLU A 1 51 7.945 29.914 27.572 A 559 ? 1.00 37.37 1
497ATOM 383 O O . GLU A 1 51 7.366 31.006 27.496 A 559 ? 1.00 30.73 1
498ATOM 384 C CB . GLU A 1 51 9.756 30.192 25.838 A 559 ? 1.00 33.80 1
499ATOM 385 C CG . GLU A 1 51 11.260 30.187 25.434 A 559 ? 1.00 39.65 1
500ATOM 386 C CD . GLU A 1 51 12.074 31.381 25.943 A 559 ? 1.00 48.22 1
501ATOM 387 O OE1 . GLU A 1 51 12.352 32.281 25.128 A 559 ? 1.00 56.51 1
502ATOM 388 O OE2 . GLU A 1 51 12.463 31.415 27.132 A 559 ? 1.00 49.62 1
503ATOM 389 N N . SER A 1 52 7.293 28.789 27.899 A 560 ? 1.00 34.03 1
504ATOM 390 C CA . SER A 1 52 5.878 28.855 28.259 A 560 ? 1.00 35.15 1
505ATOM 391 C C . SER A 1 52 5.662 29.576 29.582 A 560 ? 1.00 34.50 1
506ATOM 392 O O . SER A 1 52 4.579 30.116 29.806 A 560 ? 1.00 33.38 1
507ATOM 393 C CB . SER A 1 52 5.253 27.456 28.353 A 560 ? 1.00 29.76 1
508ATOM 394 O OG . SER A 1 52 5.659 26.774 29.545 A 560 ? 1.00 32.01 1
509ATOM 395 N N . ASN A 1 53 6.650 29.544 30.479 A 561 ? 1.00 38.49 1
510ATOM 396 C CA . ASN A 1 53 6.544 30.095 31.828 A 561 ? 1.00 39.58 1
511ATOM 397 C C . ASN A 1 53 5.420 29.443 32.645 A 561 ? 1.00 43.38 1
512ATOM 398 O O . ASN A 1 53 4.949 30.030 33.628 A 561 ? 1.00 38.68 1
513ATOM 399 C CB . ASN A 1 53 6.354 31.621 31.781 A 561 ? 1.00 44.94 1
514ATOM 400 C CG . ASN A 1 53 7.590 32.360 31.259 A 561 ? 1.00 46.03 1
515ATOM 401 O OD1 . ASN A 1 53 8.680 31.793 31.155 A 561 ? 1.00 49.15 1
516ATOM 402 N ND2 . ASN A 1 53 7.398 33.622 30.866 A 561 ? 1.00 50.88 1
517ATOM 403 N N . ILE A 1 54 6.239 22.264 34.598 A 565 ? 1.00 33.81 1
518ATOM 404 C CA . ILE A 1 54 6.958 21.903 33.384 A 565 ? 1.00 32.27 1
519ATOM 405 C C . ILE A 1 54 7.796 20.673 33.715 A 565 ? 1.00 30.47 1
520ATOM 406 O O . ILE A 1 54 8.582 20.699 34.663 A 565 ? 1.00 33.28 1
521ATOM 407 C CB . ILE A 1 54 7.843 23.062 32.896 A 565 ? 1.00 34.31 1
522ATOM 408 C CG1 . ILE A 1 54 6.977 24.286 32.578 A 565 ? 1.00 32.45 1
523ATOM 409 C CG2 . ILE A 1 54 8.693 22.638 31.696 A 565 ? 1.00 34.47 1
524ATOM 410 C CD1 . ILE A 1 54 7.772 25.519 32.137 A 565 ? 1.00 36.37 1
525ATOM 411 N N . LYS A 1 55 7.600 19.583 32.974 A 566 ? 1.00 31.13 1
526ATOM 412 C CA . LYS A 1 55 8.314 18.339 33.262 A 566 ? 1.00 29.97 1
527ATOM 413 C C . LYS A 1 55 8.675 17.622 31.974 A 566 ? 1.00 28.90 1
528ATOM 414 O O . LYS A 1 55 7.860 17.531 31.053 A 566 ? 1.00 25.79 1
529ATOM 415 C CB . LYS A 1 55 7.469 17.398 34.142 A 566 ? 1.00 28.63 1
530ATOM 416 C CG . LYS A 1 55 8.133 16.062 34.489 A 566 ? 1.00 36.63 1
531ATOM 417 C CD . LYS A 1 55 9.256 16.211 35.463 A 566 ? 1.00 33.98 1
532ATOM 418 C CE . LYS A 1 55 9.744 14.842 35.962 A 566 ? 1.00 34.24 1
533ATOM 419 N NZ . LYS A 1 55 10.788 15.026 37.025 A 566 ? 1.00 42.25 1
534ATOM 420 N N . ILE A 1 56 9.900 17.105 31.919 A 567 ? 1.00 30.05 1
535ATOM 421 C CA . ILE A 1 56 10.365 16.332 30.779 A 567 ? 1.00 25.85 1
536ATOM 422 C C . ILE A 1 56 10.367 14.868 31.174 A 567 ? 1.00 26.11 1
537ATOM 423 O O . ILE A 1 56 11.036 14.478 32.137 A 567 ? 1.00 28.94 1
538ATOM 424 C CB . ILE A 1 56 11.747 16.805 30.317 A 567 ? 1.00 30.45 1
539ATOM 425 C CG1 . ILE A 1 56 11.612 18.238 29.791 A 567 ? 1.00 28.11 1
540ATOM 426 C CG2 . ILE A 1 56 12.317 15.873 29.248 A 567 ? 1.00 29.73 1
541ATOM 427 C CD1 . ILE A 1 56 12.903 18.856 29.374 A 567 ? 1.00 36.16 1
542ATOM 428 N N . CYS A 1 57 9.561 14.086 30.461 A 568 ? 1.00 24.72 1
543ATOM 429 C CA . CYS A 1 57 9.523 12.635 30.564 A 568 ? 1.00 23.55 1
544ATOM 430 C C . CYS A 1 57 10.600 12.084 29.628 A 568 ? 1.00 28.95 1
545ATOM 431 O O . CYS A 1 57 10.450 12.108 28.400 A 568 ? 1.00 26.51 1
546ATOM 432 C CB . CYS A 1 57 8.139 12.120 30.197 A 568 ? 1.00 29.11 1
547ATOM 433 S SG . CYS A 1 57 8.003 10.355 30.223 A 568 ? 1.00 34.83 1
548ATOM 434 N N . SER A 1 58 11.696 11.614 30.207 A 569 ? 1.00 23.08 1
549ATOM 435 C CA . SER A 1 58 12.864 11.259 29.416 A 569 ? 1.00 27.65 1
550ATOM 436 C C . SER A 1 58 13.205 9.784 29.594 A 569 ? 1.00 27.90 1
551ATOM 437 O O . SER A 1 58 13.223 9.291 30.727 A 569 ? 1.00 28.95 1
552ATOM 438 C CB . SER A 1 58 14.064 12.117 29.840 A 569 ? 1.00 30.65 1
553ATOM 439 O OG . SER A 1 58 15.271 11.688 29.231 A 569 ? 1.00 35.97 1
554ATOM 440 N N . PRO A 1 59 13.506 9.060 28.513 A 570 ? 1.00 29.06 1
555ATOM 441 C CA . PRO A 1 59 13.948 7.668 28.683 A 570 ? 1.00 31.68 1
556ATOM 442 C C . PRO A 1 59 15.232 7.529 29.445 A 570 ? 1.00 32.10 1
557ATOM 443 O O . PRO A 1 59 15.475 6.456 30.010 A 570 ? 1.00 32.08 1
558ATOM 444 C CB . PRO A 1 59 14.088 7.170 27.242 A 570 ? 1.00 28.87 1
559ATOM 445 C CG . PRO A 1 59 14.422 8.383 26.487 A 570 ? 1.00 35.31 1
560ATOM 446 C CD . PRO A 1 59 13.526 9.441 27.092 A 570 ? 1.00 27.53 1
561ATOM 447 N N . ASP A 1 60 16.054 8.573 29.533 A 571 ? 1.00 32.35 1
562ATOM 448 C CA . ASP A 1 60 17.247 8.301 30.322 A 571 ? 1.00 39.14 1
563ATOM 449 C C . ASP A 1 60 16.941 8.199 31.808 A 571 ? 1.00 39.51 1
564ATOM 450 O O . ASP A 1 60 17.848 7.879 32.586 A 571 ? 1.00 36.97 1
565ATOM 451 C CB . ASP A 1 60 18.366 9.321 30.054 A 571 ? 1.00 36.25 1
566ATOM 452 C CG . ASP A 1 60 17.941 10.745 30.246 A 571 ? 1.00 40.55 1
567ATOM 453 O OD1 . ASP A 1 60 16.835 10.983 30.776 A 571 ? 1.00 46.42 1
568ATOM 454 O OD2 . ASP A 1 60 18.754 11.641 29.903 A 571 ? 1.00 43.71 1
569ATOM 455 N N . LYS A 1 61 15.684 8.400 32.207 A 572 ? 1.00 34.44 1
570ATOM 456 C CA . LYS A 1 61 15.254 8.171 33.576 A 572 ? 1.00 34.30 1
571ATOM 457 C C . LYS A 1 61 14.523 6.845 33.735 A 572 ? 1.00 32.92 1
572ATOM 458 O O . LYS A 1 61 13.941 6.586 34.793 A 572 ? 1.00 37.20 1
573ATOM 459 C CB . LYS A 1 61 14.381 9.343 34.024 A 572 ? 1.00 41.66 1
574ATOM 460 C CG . LYS A 1 61 15.159 10.664 34.066 A 572 ? 1.00 36.83 1
575ATOM 461 C CD . LYS A 1 61 14.561 11.669 35.039 A 572 ? 1.00 48.67 1
576ATOM 462 C CE . LYS A 1 61 14.468 13.068 34.420 A 572 ? 1.00 47.25 1
577ATOM 463 N NZ . LYS A 1 61 13.159 13.326 33.767 A 572 ? 1.00 39.20 1
578HETATM 464 N N . MSE A 1 62 14.552 5.989 32.714 A 573 ? 1.00 31.44 1
579HETATM 465 C CA . MSE A 1 62 13.787 4.743 32.722 A 573 ? 1.00 33.31 1
580HETATM 466 C C . MSE A 1 62 14.577 3.570 32.174 A 573 ? 1.00 33.64 1
581HETATM 467 O O . MSE A 1 62 14.007 2.621 31.650 A 573 ? 1.00 33.73 1
582HETATM 468 C CB . MSE A 1 62 12.517 4.929 31.909 A 573 ? 1.00 31.99 1
583HETATM 469 C CG . MSE A 1 62 11.666 6.037 32.452 A 573 ? 1.00 37.55 1
584HETATM 470 Se SE . MSE A 1 62 9.916 6.095 31.612 A 573 ? 1.00 65.62 1
585HETATM 471 C CE . MSE A 1 62 9.415 7.889 32.227 A 573 ? 1.00 44.79 1
586ATOM 472 N N . ILE A 1 63 15.902 3.641 32.301 A 574 ? 1.00 33.63 1
587ATOM 473 C CA . ILE A 1 63 16.769 2.612 31.738 A 574 ? 1.00 32.57 1
588ATOM 474 C C . ILE A 1 63 16.498 1.259 32.380 A 574 ? 1.00 26.27 1
589ATOM 475 O O . ILE A 1 63 16.558 1.106 33.606 A 574 ? 1.00 29.32 1
590ATOM 476 C CB . ILE A 1 63 18.241 3.020 31.897 A 574 ? 1.00 28.47 1
591ATOM 477 C CG1 . ILE A 1 63 18.493 4.337 31.173 A 574 ? 1.00 28.39 1
592ATOM 478 C CG2 . ILE A 1 63 19.147 1.921 31.376 A 574 ? 1.00 27.96 1
593ATOM 479 C CD1 . ILE A 1 63 19.914 4.830 31.332 A 574 ? 1.00 32.45 1
594ATOM 480 N N . CYS A 1 64 2.912 21.811 31.205 A 599 ? 1.00 25.80 1
595ATOM 481 C CA . CYS A 1 64 3.532 21.394 29.959 A 599 ? 1.00 24.78 1
596ATOM 482 C C . CYS A 1 64 4.398 20.185 30.260 A 599 ? 1.00 29.30 1
597ATOM 483 O O . CYS A 1 64 5.284 20.244 31.122 A 599 ? 1.00 26.47 1
598ATOM 484 C CB . CYS A 1 64 4.382 22.505 29.331 A 599 ? 1.00 27.53 1
599ATOM 485 S SG . CYS A 1 64 5.286 22.002 27.829 A 599 ? 1.00 25.53 1
600ATOM 486 N N . VAL A 1 65 4.150 19.104 29.534 A 600 ? 1.00 23.69 1
601ATOM 487 C CA . VAL A 1 65 4.908 17.874 29.665 A 600 ? 1.00 22.89 1
602ATOM 488 C C . VAL A 1 65 5.568 17.601 28.325 A 600 ? 1.00 23.37 1
603ATOM 489 O O . VAL A 1 65 4.889 17.568 27.290 A 600 ? 1.00 23.26 1
604ATOM 490 C CB . VAL A 1 65 3.997 16.703 30.080 A 600 ? 1.00 26.75 1
605ATOM 491 C CG1 . VAL A 1 65 4.772 15.375 30.084 A 600 ? 1.00 25.63 1
606ATOM 492 C CG2 . VAL A 1 65 3.283 17.030 31.411 A 600 ? 1.00 24.35 1
607ATOM 493 N N . VAL A 1 66 6.876 17.372 28.343 A 601 ? 1.00 24.41 1
608ATOM 494 C CA . VAL A 1 66 7.598 16.912 27.163 A 601 ? 1.00 21.68 1
609ATOM 495 C C . VAL A 1 66 7.704 15.388 27.227 A 601 ? 1.00 25.35 1
610ATOM 496 O O . VAL A 1 66 8.155 14.826 28.235 A 601 ? 1.00 22.40 1
611ATOM 497 C CB . VAL A 1 66 8.988 17.563 27.074 A 601 ? 1.00 25.58 1
612ATOM 498 C CG1 . VAL A 1 66 9.763 17.011 25.908 A 601 ? 1.00 21.15 1
613ATOM 499 C CG2 . VAL A 1 66 8.873 19.085 26.926 A 601 ? 1.00 23.78 1
614ATOM 500 N N . VAL A 1 67 7.290 14.722 26.149 A 602 ? 1.00 22.81 1
615ATOM 501 C CA . VAL A 1 67 7.438 13.279 26.016 A 602 ? 1.00 24.23 1
616ATOM 502 C C . VAL A 1 67 8.564 13.057 25.005 A 602 ? 1.00 19.46 1
617ATOM 503 O O . VAL A 1 67 8.347 13.066 23.788 A 602 ? 1.00 19.69 1
618ATOM 504 C CB . VAL A 1 67 6.113 12.634 25.579 A 602 ? 1.00 22.24 1
619ATOM 505 C CG1 . VAL A 1 67 6.214 11.135 25.592 A 602 ? 1.00 30.20 1
620ATOM 506 C CG2 . VAL A 1 67 4.969 13.118 26.482 A 602 ? 1.00 27.52 1
621ATOM 507 N N . ASP A 1 68 9.790 12.924 25.497 A 603 ? 1.00 22.54 1
622ATOM 508 C CA . ASP A 1 68 10.954 13.001 24.629 A 603 ? 1.00 22.35 1
623ATOM 509 C C . ASP A 1 68 11.360 11.634 24.112 A 603 ? 1.00 21.09 1
624ATOM 510 O O . ASP A 1 68 11.351 10.660 24.858 A 603 ? 1.00 25.46 1
625ATOM 511 C CB . ASP A 1 68 12.129 13.637 25.360 A 603 ? 1.00 20.37 1
626ATOM 512 C CG . ASP A 1 68 13.285 13.854 24.472 A 603 ? 1.00 18.81 1
627ATOM 513 O OD1 . ASP A 1 68 13.180 14.635 23.508 A 603 ? 1.00 19.23 1
628ATOM 514 O OD2 . ASP A 1 68 14.352 13.304 24.785 A 603 ? 1.00 24.28 1
629ATOM 515 N N . ASP A 1 69 11.702 11.580 22.822 A 604 ? 1.00 21.04 1
630ATOM 516 C CA . ASP A 1 69 12.268 10.386 22.182 A 604 ? 1.00 22.77 1
631ATOM 517 C C . ASP A 1 69 11.262 9.225 22.264 A 604 ? 1.00 24.21 1
632ATOM 518 O O . ASP A 1 69 11.497 8.195 22.898 A 604 ? 1.00 20.25 1
633ATOM 519 C CB . ASP A 1 69 13.639 10.059 22.805 A 604 ? 1.00 20.83 1
634ATOM 520 C CG . ASP A 1 69 14.632 9.440 21.812 A 604 ? 1.00 24.94 1
635ATOM 521 O OD1 . ASP A 1 69 14.265 9.132 20.657 A 604 ? 1.00 26.76 1
636ATOM 522 O OD2 . ASP A 1 69 15.831 9.382 22.150 A 604 ? 1.00 25.72 1
637ATOM 523 N N . ILE A 1 70 10.113 9.433 21.603 A 605 ? 1.00 22.15 1
638ATOM 524 C CA . ILE A 1 70 8.991 8.488 21.688 A 605 ? 1.00 20.15 1
639ATOM 525 C C . ILE A 1 70 9.452 7.070 21.369 A 605 ? 1.00 20.31 1
640ATOM 526 O O . ILE A 1 70 9.035 6.111 22.022 A 605 ? 1.00 22.05 1
641ATOM 527 C CB . ILE A 1 70 7.842 8.911 20.748 A 605 ? 1.00 20.76 1
642ATOM 528 C CG1 . ILE A 1 70 7.358 10.318 21.017 A 605 ? 1.00 25.37 1
643ATOM 529 C CG2 . ILE A 1 70 6.594 7.995 20.953 A 605 ? 1.00 18.37 1
644ATOM 530 C CD1 . ILE A 1 70 6.793 10.474 22.346 A 605 ? 1.00 30.77 1
645ATOM 531 N N . GLU A 1 71 10.344 6.915 20.382 A 606 ? 1.00 22.13 1
646ATOM 532 C CA . GLU A 1 71 10.749 5.567 19.971 A 606 ? 1.00 18.49 1
647ATOM 533 C C . GLU A 1 71 11.533 4.847 21.081 A 606 ? 1.00 23.24 1
648ATOM 534 O O . GLU A 1 71 11.536 3.601 21.140 A 606 ? 1.00 22.02 1
649ATOM 535 C CB . GLU A 1 71 11.634 5.604 18.726 A 606 ? 1.00 21.21 1
650ATOM 536 C CG . GLU A 1 71 12.729 6.692 18.736 A 606 ? 1.00 20.29 1
651ATOM 537 C CD . GLU A 1 71 12.352 8.058 18.192 A 606 ? 1.00 26.34 1
652ATOM 538 O OE1 . GLU A 1 71 11.279 8.592 18.561 A 606 ? 1.00 24.78 1
653ATOM 539 O OE2 . GLU A 1 71 13.184 8.631 17.438 A 606 ? 1.00 26.25 1
654ATOM 540 N N . ARG A 1 72 12.267 5.588 21.929 A 607 ? 1.00 20.09 1
655ATOM 541 C CA . ARG A 1 72 12.961 4.915 23.035 A 607 ? 1.00 25.00 1
656ATOM 542 C C . ARG A 1 72 12.007 4.667 24.195 A 607 ? 1.00 24.42 1
657ATOM 543 O O . ARG A 1 72 12.096 3.645 24.874 A 607 ? 1.00 22.73 1
658ATOM 544 C CB . ARG A 1 72 14.188 5.706 23.530 A 607 ? 1.00 25.81 1
659ATOM 545 C CG . ARG A 1 72 15.339 5.916 22.529 A 607 ? 1.00 25.69 1
660ATOM 546 C CD . ARG A 1 72 16.168 4.651 22.209 A 607 ? 1.00 21.94 1
661ATOM 547 N NE . ARG A 1 72 15.379 3.748 21.363 A 607 ? 1.00 26.85 1
662ATOM 548 C CZ . ARG A 1 72 15.372 3.820 20.043 A 607 ? 1.00 27.39 1
663ATOM 549 N NH1 . ARG A 1 72 16.014 4.786 19.403 A 607 ? 1.00 32.04 1
664ATOM 550 N NH2 . ARG A 1 72 14.688 2.923 19.349 A 607 ? 1.00 25.56 1
665ATOM 551 N N . LEU A 1 73 11.088 5.599 24.430 A 608 ? 1.00 23.66 1
666ATOM 552 C CA . LEU A 1 73 10.052 5.380 25.429 A 608 ? 1.00 19.38 1
667ATOM 553 C C . LEU A 1 73 9.278 4.097 25.139 A 608 ? 1.00 20.04 1
668ATOM 554 O O . LEU A 1 73 8.966 3.338 26.063 A 608 ? 1.00 20.94 1
669ATOM 555 C CB . LEU A 1 73 9.094 6.587 25.445 A 608 ? 1.00 21.76 1
670ATOM 556 C CG . LEU A 1 73 9.725 7.826 26.100 A 608 ? 1.00 28.65 1
671ATOM 557 C CD1 . LEU A 1 73 8.761 9.008 26.145 A 608 ? 1.00 32.04 1
672ATOM 558 C CD2 . LEU A 1 73 10.282 7.539 27.505 A 608 ? 1.00 34.60 1
673ATOM 559 N N . LEU A 1 74 -0.197 21.339 27.796 A 641 ? 1.00 23.65 1
674ATOM 560 C CA . LEU A 1 74 0.447 21.291 26.495 A 641 ? 1.00 22.80 1
675ATOM 561 C C . LEU A 1 74 1.400 20.098 26.516 A 641 ? 1.00 21.71 1
676ATOM 562 O O . LEU A 1 74 2.273 20.019 27.385 A 641 ? 1.00 20.75 1
677ATOM 563 C CB . LEU A 1 74 1.199 22.592 26.201 A 641 ? 1.00 22.17 1
678ATOM 564 C CG . LEU A 1 74 2.061 22.564 24.946 A 641 ? 1.00 22.16 1
679ATOM 565 C CD1 . LEU A 1 74 1.206 22.299 23.741 A 641 ? 1.00 20.83 1
680ATOM 566 C CD2 . LEU A 1 74 2.856 23.868 24.755 A 641 ? 1.00 21.64 1
681ATOM 567 N N . ILE A 1 75 1.213 19.163 25.597 A 642 ? 1.00 20.73 1
682ATOM 568 C CA . ILE A 1 75 2.099 18.002 25.474 A 642 ? 1.00 22.29 1
683ATOM 569 C C . ILE A 1 75 2.985 18.225 24.254 A 642 ? 1.00 23.21 1
684ATOM 570 O O . ILE A 1 75 2.480 18.544 23.170 A 642 ? 1.00 25.24 1
685ATOM 571 C CB . ILE A 1 75 1.301 16.692 25.344 A 642 ? 1.00 25.03 1
686ATOM 572 C CG1 . ILE A 1 75 0.348 16.505 26.535 A 642 ? 1.00 19.65 1
687ATOM 573 C CG2 . ILE A 1 75 2.292 15.526 25.242 A 642 ? 1.00 22.32 1
688ATOM 574 C CD1 . ILE A 1 75 -0.642 15.327 26.362 A 642 ? 1.00 21.15 1
689ATOM 575 N N . ILE A 1 76 4.306 18.107 24.435 A 643 ? 1.00 18.59 1
690ATOM 576 C CA . ILE A 1 76 5.283 18.256 23.357 A 643 ? 1.00 17.15 1
691ATOM 577 C C . ILE A 1 76 6.010 16.923 23.232 A 643 ? 1.00 20.66 1
692ATOM 578 O O . ILE A 1 76 6.792 16.569 24.114 A 643 ? 1.00 21.75 1
693ATOM 579 C CB . ILE A 1 76 6.301 19.368 23.647 A 643 ? 1.00 23.13 1
694ATOM 580 C CG1 . ILE A 1 76 5.621 20.688 24.015 A 643 ? 1.00 18.87 1
695ATOM 581 C CG2 . ILE A 1 76 7.238 19.559 22.444 A 643 ? 1.00 21.90 1
696ATOM 582 C CD1 . ILE A 1 76 6.660 21.789 24.409 A 643 ? 1.00 23.30 1
697ATOM 583 N N . GLY A 1 77 5.782 16.192 22.149 A 644 ? 1.00 21.22 1
698ATOM 584 C CA . GLY A 1 77 6.522 14.974 21.902 A 644 ? 1.00 23.24 1
699ATOM 585 C C . GLY A 1 77 7.737 15.230 21.017 A 644 ? 1.00 20.23 1
700ATOM 586 O O . GLY A 1 77 7.772 16.202 20.259 A 644 ? 1.00 20.83 1
701ATOM 587 N N . THR A 1 78 8.759 14.369 21.110 A 645 ? 1.00 22.25 1
702ATOM 588 C CA . THR A 1 78 9.792 14.410 20.086 A 645 ? 1.00 15.44 1
703ATOM 589 C C . THR A 1 78 10.074 13.027 19.525 A 645 ? 1.00 19.17 1
704ATOM 590 O O . THR A 1 78 10.092 12.032 20.253 A 645 ? 1.00 21.00 1
705ATOM 591 C CB . THR A 1 78 11.130 15.012 20.568 A 645 ? 1.00 22.96 1
706ATOM 592 O OG1 . THR A 1 78 11.815 14.100 21.441 A 645 ? 1.00 17.93 1
707ATOM 593 C CG2 . THR A 1 78 10.856 16.290 21.298 A 645 ? 1.00 19.46 1
708ATOM 594 N N . THR A 1 79 10.379 12.991 18.228 A 646 ? 1.00 20.80 1
709ATOM 595 C CA . THR A 1 79 10.771 11.743 17.600 A 646 ? 1.00 22.92 1
710ATOM 596 C C . THR A 1 79 11.649 12.026 16.391 A 646 ? 1.00 23.43 1
711ATOM 597 O O . THR A 1 79 11.593 13.110 15.800 A 646 ? 1.00 23.55 1
712ATOM 598 C CB . THR A 1 79 9.547 10.945 17.150 A 646 ? 1.00 23.56 1
713ATOM 599 O OG1 . THR A 1 79 9.981 9.664 16.690 A 646 ? 1.00 22.89 1
714ATOM 600 C CG2 . THR A 1 79 8.860 11.683 16.001 A 646 ? 1.00 21.34 1
715ATOM 601 N N . SER A 1 80 12.443 11.017 16.022 A 647 ? 1.00 20.05 1
716ATOM 602 C CA . SER A 1 80 13.132 10.924 14.741 A 647 ? 1.00 21.79 1
717ATOM 603 C C . SER A 1 80 12.456 9.940 13.787 A 647 ? 1.00 26.97 1
718ATOM 604 O O . SER A 1 80 12.944 9.745 12.668 A 647 ? 1.00 25.60 1
719ATOM 605 C CB . SER A 1 80 14.598 10.481 14.957 A 647 ? 1.00 22.10 1
720ATOM 606 O OG . SER A 1 80 15.303 11.364 15.823 A 647 ? 1.00 23.72 1
721ATOM 607 N N . ARG A 1 81 11.375 9.277 14.213 A 648 ? 1.00 24.32 1
722ATOM 608 C CA . ARG A 1 81 10.711 8.245 13.412 A 648 ? 1.00 24.80 1
723ATOM 609 C C . ARG A 1 81 9.225 8.558 13.262 A 648 ? 1.00 28.02 1
724ATOM 610 O O . ARG A 1 81 8.375 7.781 13.682 A 648 ? 1.00 21.90 1
725ATOM 611 C CB . ARG A 1 81 10.916 6.853 14.020 A 648 ? 1.00 23.02 1
726ATOM 612 C CG . ARG A 1 81 12.380 6.372 13.996 A 648 ? 1.00 24.75 1
727ATOM 613 C CD . ARG A 1 81 12.948 6.408 12.561 A 648 ? 1.00 31.49 1
728ATOM 614 N NE . ARG A 1 81 12.285 5.531 11.589 A 648 ? 1.00 35.71 1
729ATOM 615 C CZ . ARG A 1 81 12.487 4.226 11.431 A 648 ? 1.00 37.95 1
730ATOM 616 N NH1 . ARG A 1 81 13.421 3.571 12.113 A 648 ? 1.00 31.45 1
731ATOM 617 N NH2 . ARG A 1 81 11.771 3.566 10.522 A 648 ? 1.00 38.73 1
732ATOM 618 N N . LYS A 1 82 8.916 9.703 12.640 A 649 ? 1.00 22.47 1
733ATOM 619 C CA . LYS A 1 82 7.519 10.048 12.385 A 649 ? 1.00 26.55 1
734ATOM 620 C C . LYS A 1 82 6.795 8.934 11.632 A 649 ? 1.00 23.72 1
735ATOM 621 O O . LYS A 1 82 5.618 8.676 11.885 A 649 ? 1.00 26.61 1
736ATOM 622 C CB . LYS A 1 82 7.427 11.349 11.585 A 649 ? 1.00 24.65 1
737ATOM 623 C CG . LYS A 1 82 6.029 11.762 11.254 A 649 ? 1.00 27.08 1
738ATOM 624 C CD . LYS A 1 82 5.962 12.970 10.332 A 649 ? 1.00 26.68 1
739ATOM 625 C CE . LYS A 1 82 4.509 13.311 10.032 A 649 ? 1.00 38.34 1
740ATOM 626 N NZ . LYS A 1 82 4.349 14.466 9.100 A 649 ? 1.00 33.76 1
741ATOM 627 N N . ASP A 1 83 7.473 8.296 10.674 A 650 ? 1.00 25.77 1
742ATOM 628 C CA . ASP A 1 83 6.869 7.171 9.957 A 650 ? 1.00 29.11 1
743ATOM 629 C C . ASP A 1 83 6.341 6.098 10.916 A 650 ? 1.00 30.31 1
744ATOM 630 O O . ASP A 1 83 5.188 5.648 10.795 A 650 ? 1.00 30.78 1
745ATOM 631 C CB . ASP A 1 83 7.875 6.591 8.946 A 650 ? 1.00 31.29 1
746ATOM 632 C CG . ASP A 1 83 9.197 6.112 9.591 A 650 ? 1.00 34.19 1
747ATOM 633 O OD1 . ASP A 1 83 9.762 6.811 10.474 A 650 ? 1.00 31.29 1
748ATOM 634 O OD2 . ASP A 1 83 9.699 5.033 9.191 A 650 ? 1.00 38.61 1
749ATOM 635 N N . THR A 1 84 -1.076 18.417 16.228 A 663 ? 1.00 31.88 1
750ATOM 636 C CA . THR A 1 84 -0.355 18.938 15.082 A 663 ? 1.00 26.31 1
751ATOM 637 C C . THR A 1 84 1.095 18.501 15.223 A 663 ? 1.00 26.27 1
752ATOM 638 O O . THR A 1 84 1.493 17.934 16.245 A 663 ? 1.00 27.44 1
753ATOM 639 C CB . THR A 1 84 -0.455 20.461 15.018 A 663 ? 1.00 29.51 1
754ATOM 640 O OG1 . THR A 1 84 0.184 20.934 13.828 A 663 ? 1.00 31.68 1
755ATOM 641 C CG2 . THR A 1 84 0.278 21.071 16.223 A 663 ? 1.00 28.21 1
756ATOM 642 N N . THR A 1 85 1.882 18.772 14.191 A 664 ? 1.00 26.43 1
757ATOM 643 C CA . THR A 1 85 3.302 18.419 14.198 A 664 ? 1.00 28.18 1
758ATOM 644 C C . THR A 1 85 4.130 19.605 13.734 A 664 ? 1.00 30.00 1
759ATOM 645 O O . THR A 1 85 3.665 20.455 12.966 A 664 ? 1.00 34.52 1
760ATOM 646 C CB . THR A 1 85 3.649 17.188 13.300 A 664 ? 1.00 32.53 1
761ATOM 647 O OG1 . THR A 1 85 3.403 17.493 11.924 A 664 ? 1.00 39.13 1
762ATOM 648 C CG2 . THR A 1 85 2.849 15.974 13.684 A 664 ? 1.00 27.77 1
763ATOM 649 N N . ILE A 1 86 5.363 19.663 14.222 A 665 ? 1.00 26.96 1
764ATOM 650 C CA . ILE A 1 86 6.327 20.670 13.812 A 665 ? 1.00 22.23 1
765ATOM 651 C C . ILE A 1 86 7.556 19.949 13.285 A 665 ? 1.00 26.75 1
766ATOM 652 O O . ILE A 1 86 8.171 19.150 14.006 A 665 ? 1.00 23.82 1
767ATOM 653 C CB . ILE A 1 86 6.704 21.602 14.971 A 665 ? 1.00 28.44 1
768ATOM 654 C CG1 . ILE A 1 86 5.509 22.474 15.393 A 665 ? 1.00 25.41 1
769ATOM 655 C CG2 . ILE A 1 86 7.903 22.494 14.572 A 665 ? 1.00 26.81 1
770ATOM 656 C CD1 . ILE A 1 86 5.838 23.317 16.591 A 665 ? 1.00 22.71 1
771ATOM 657 N N . HIS A 1 87 7.908 20.217 12.032 A 666 ? 1.00 25.65 1
772ATOM 658 C CA . HIS A 1 87 9.093 19.619 11.449 A 666 ? 1.00 26.95 1
773ATOM 659 C C . HIS A 1 87 10.342 20.326 11.943 A 666 ? 1.00 30.94 1
774ATOM 660 O O . HIS A 1 87 10.430 21.555 11.887 A 666 ? 1.00 31.17 1
775ATOM 661 C CB . HIS A 1 87 9.033 19.668 9.932 A 666 ? 1.00 28.53 1
776ATOM 662 C CG . HIS A 1 87 10.102 18.860 9.282 A 666 ? 1.00 30.74 1
777ATOM 663 N ND1 . HIS A 1 87 10.136 17.482 9.334 A 666 ? 1.00 31.15 1
778ATOM 664 C CD2 . HIS A 1 87 11.194 19.239 8.581 A 666 ? 1.00 32.08 1
779ATOM 665 C CE1 . HIS A 1 87 11.202 17.049 8.684 A 666 ? 1.00 32.46 1
780ATOM 666 N NE2 . HIS A 1 87 11.856 18.095 8.213 A 666 ? 1.00 33.28 1
781ATOM 667 N N . VAL A 1 88 11.298 19.546 12.434 A 667 ? 1.00 26.36 1
782ATOM 668 C CA . VAL A 1 88 12.588 20.072 12.884 A 667 ? 1.00 24.90 1
783ATOM 669 C C . VAL A 1 88 13.661 19.591 11.910 A 667 ? 1.00 28.41 1
784ATOM 670 O O . VAL A 1 88 14.201 18.488 12.074 A 667 ? 1.00 30.54 1
785ATOM 671 C CB . VAL A 1 88 12.910 19.627 14.320 A 667 ? 1.00 25.58 1
786ATOM 672 C CG1 . VAL A 1 88 14.243 20.218 14.788 A 667 ? 1.00 29.39 1
787ATOM 673 C CG2 . VAL A 1 88 11.755 19.942 15.290 A 667 ? 1.00 25.62 1
788ATOM 674 N N . PRO A 1 89 14.049 20.391 10.920 A 668 ? 1.00 34.88 1
789ATOM 675 C CA . PRO A 1 89 14.929 19.895 9.862 A 668 ? 1.00 29.72 1
790ATOM 676 C C . PRO A 1 89 16.426 19.946 10.173 A 668 ? 1.00 28.67 1
791ATOM 677 O O . PRO A 1 89 16.902 20.606 11.097 A 668 ? 1.00 23.73 1
792ATOM 678 C CB . PRO A 1 89 14.594 20.838 8.703 A 668 ? 1.00 34.42 1
793ATOM 679 C CG . PRO A 1 89 14.436 22.156 9.412 A 668 ? 1.00 30.19 1
794ATOM 680 C CD . PRO A 1 89 13.641 21.791 10.673 A 668 ? 1.00 32.47 1
795ATOM 681 N N . ASN A 1 90 17.166 19.186 9.386 A 669 ? 1.00 27.42 1
796ATOM 682 C CA . ASN A 1 90 18.598 19.316 9.441 A 669 ? 1.00 28.11 1
797ATOM 683 C C . ASN A 1 90 18.996 20.647 8.812 A 669 ? 1.00 28.30 1
798ATOM 684 O O . ASN A 1 90 18.219 21.287 8.098 A 669 ? 1.00 26.95 1
799ATOM 685 C CB . ASN A 1 90 19.294 18.175 8.699 A 669 ? 1.00 26.72 1
800ATOM 686 C CG . ASN A 1 90 19.421 16.925 9.522 A 669 ? 1.00 23.31 1
801ATOM 687 O OD1 . ASN A 1 90 19.255 16.947 10.737 A 669 ? 1.00 22.56 1
802ATOM 688 N ND2 . ASN A 1 90 19.818 15.837 8.875 A 669 ? 1.00 23.14 1
803ATOM 689 N N . ILE A 1 91 20.223 21.061 9.110 A 670 ? 1.00 25.46 1
804ATOM 690 C CA . ILE A 1 91 20.866 22.145 8.365 A 670 ? 1.00 30.19 1
805ATOM 691 C C . ILE A 1 91 20.945 21.706 6.912 A 670 ? 1.00 32.39 1
806ATOM 692 O O . ILE A 1 91 21.382 20.584 6.621 A 670 ? 1.00 32.84 1
807ATOM 693 C CB . ILE A 1 91 22.257 22.406 8.956 A 670 ? 1.00 26.29 1
808ATOM 694 C CG1 . ILE A 1 91 22.137 22.940 10.381 A 670 ? 1.00 25.46 1
809ATOM 695 C CG2 . ILE A 1 91 23.109 23.322 8.026 A 670 ? 1.00 27.14 1
810ATOM 696 C CD1 . ILE A 1 91 23.517 22.968 11.087 A 670 ? 1.00 28.72 1
811ATOM 697 N N . ALA A 1 92 20.505 22.571 5.988 A 671 ? 1.00 28.58 1
812ATOM 698 C CA . ALA A 1 92 20.237 22.111 4.632 A 671 ? 1.00 33.34 1
813ATOM 699 C C . ALA A 1 92 20.979 22.846 3.523 A 671 ? 1.00 37.96 1
814ATOM 700 O O . ALA A 1 92 20.957 22.374 2.380 A 671 ? 1.00 37.10 1
815ATOM 701 C CB . ALA A 1 92 18.729 22.173 4.341 A 671 ? 1.00 34.89 1
816ATOM 702 N N . THR A 1 93 21.623 23.975 3.807 A 672 ? 1.00 37.79 1
817ATOM 703 C CA . THR A 1 93 22.351 24.721 2.788 A 672 ? 1.00 40.86 1
818ATOM 704 C C . THR A 1 93 23.693 25.152 3.349 A 672 ? 1.00 35.23 1
819ATOM 705 O O . THR A 1 93 23.852 25.307 4.564 A 672 ? 1.00 33.76 1
820ATOM 706 C CB . THR A 1 93 21.606 25.983 2.325 A 672 ? 1.00 34.85 1
821ATOM 707 O OG1 . THR A 1 93 21.546 26.922 3.404 A 672 ? 1.00 34.00 1
822ATOM 708 C CG2 . THR A 1 93 20.195 25.656 1.862 A 672 ? 1.00 40.60 1
823ATOM 709 N N . GLY A 1 94 24.654 25.375 2.444 A 673 ? 1.00 39.58 1
824ATOM 710 C CA . GLY A 1 94 25.945 25.902 2.866 A 673 ? 1.00 38.31 1
825ATOM 711 C C . GLY A 1 94 25.829 27.187 3.661 A 673 ? 1.00 35.46 1
826ATOM 712 O O . GLY A 1 94 26.579 27.407 4.614 A 673 ? 1.00 39.65 1
827ATOM 713 N N . GLU A 1 95 24.874 28.045 3.298 A 674 ? 1.00 35.48 1
828ATOM 714 C CA . GLU A 1 95 24.686 29.296 4.036 A 674 ? 1.00 37.07 1
829ATOM 715 C C . GLU A 1 95 24.319 29.016 5.486 A 674 ? 1.00 37.33 1
830ATOM 716 O O . GLU A 1 95 24.850 29.652 6.409 A 674 ? 1.00 29.38 1
831ATOM 717 C CB . GLU A 1 95 23.588 30.156 3.402 A 674 ? 1.00 42.85 1
832ATOM 718 C CG . GLU A 1 95 23.918 30.837 2.091 A 674 ? 1.00 46.25 1
833ATOM 719 C CD . GLU A 1 95 24.406 29.869 1.047 A 674 ? 1.00 47.34 1
834ATOM 720 O OE1 . GLU A 1 95 25.507 30.077 0.511 A 674 ? 1.00 47.43 1
835ATOM 721 O OE2 . GLU A 1 95 23.677 28.894 0.764 A 674 ? 1.00 46.29 1
836ATOM 722 N N . GLN A 1 96 23.381 28.076 5.704 A 675 ? 1.00 33.78 1
837ATOM 723 C CA . GLN A 1 96 22.973 27.742 7.063 A 675 ? 1.00 32.87 1
838ATOM 724 C C . GLN A 1 96 24.119 27.086 7.812 A 675 ? 1.00 30.92 1
839ATOM 725 O O . GLN A 1 96 24.268 27.288 9.022 A 675 ? 1.00 31.92 1
840ATOM 726 C CB . GLN A 1 96 21.746 26.814 7.050 A 675 ? 1.00 32.49 1
841ATOM 727 C CG . GLN A 1 96 20.556 27.349 6.272 A 675 ? 1.00 34.96 1
842ATOM 728 C CD . GLN A 1 96 19.337 26.453 6.345 A 675 ? 1.00 36.28 1
843ATOM 729 O OE1 . GLN A 1 96 19.427 25.231 6.207 A 675 ? 1.00 34.88 1
844ATOM 730 N NE2 . GLN A 1 96 18.178 27.068 6.494 A 675 ? 1.00 35.47 1
845ATOM 731 N N . LEU A 1 97 24.951 26.322 7.100 A 676 ? 1.00 33.23 1
846ATOM 732 C CA . LEU A 1 97 26.122 25.709 7.713 A 676 ? 1.00 31.46 1
847ATOM 733 C C . LEU A 1 97 27.138 26.767 8.128 A 676 ? 1.00 32.60 1
848ATOM 734 O O . LEU A 1 97 27.670 26.727 9.242 A 676 ? 1.00 31.24 1
849ATOM 735 C CB . LEU A 1 97 26.714 24.684 6.743 A 676 ? 1.00 34.87 1
850ATOM 736 C CG . LEU A 1 97 27.858 23.738 7.101 A 676 ? 1.00 33.73 1
851ATOM 737 C CD1 . LEU A 1 97 29.184 24.397 7.290 A 676 ? 1.00 42.59 1
852ATOM 738 C CD2 . LEU A 1 97 27.476 23.110 8.420 A 676 ? 1.00 36.26 1
853ATOM 739 N N . LEU A 1 98 27.407 27.737 7.259 A 677 ? 1.00 33.74 1
854ATOM 740 C CA . LEU A 1 98 28.366 28.782 7.619 A 677 ? 1.00 34.48 1
855ATOM 741 C C . LEU A 1 98 27.841 29.632 8.772 A 677 ? 1.00 33.61 1
856ATOM 742 O O . LEU A 1 98 28.595 29.996 9.679 A 677 ? 1.00 35.76 1
857ATOM 743 C CB . LEU A 1 98 28.668 29.634 6.389 A 677 ? 1.00 38.73 1
858ATOM 744 C CG . LEU A 1 98 29.502 28.893 5.344 A 677 ? 1.00 36.65 1
859ATOM 745 C CD1 . LEU A 1 98 29.381 29.564 3.987 A 677 ? 1.00 42.94 1
860ATOM 746 C CD2 . LEU A 1 98 30.953 28.881 5.815 A 677 ? 1.00 38.36 1
861ATOM 747 N N . GLU A 1 99 26.536 29.905 8.786 A 678 ? 1.00 32.47 1
862ATOM 748 C CA . GLU A 1 99 25.951 30.645 9.899 A 678 ? 1.00 29.15 1
863ATOM 749 C C . GLU A 1 99 26.121 29.881 11.210 A 678 ? 1.00 32.47 1
864ATOM 750 O O . GLU A 1 99 26.557 30.447 12.219 A 678 ? 1.00 33.80 1
865ATOM 751 C CB . GLU A 1 99 24.479 30.934 9.591 A 678 ? 1.00 32.59 1
866ATOM 752 C CG . GLU A 1 99 23.718 31.807 10.578 A 678 ? 1.00 33.36 1
867ATOM 753 C CD . GLU A 1 99 24.267 33.234 10.609 A 678 ? 1.00 43.02 1
868ATOM 754 O OE1 . GLU A 1 99 24.414 33.834 9.523 A 678 ? 1.00 38.86 1
869ATOM 755 O OE2 . GLU A 1 99 24.478 33.781 11.711 A 678 ? 1.00 46.61 1
870ATOM 756 N N . ALA A 1 100 25.788 28.581 11.217 A 679 ? 1.00 29.96 1
871ATOM 757 C CA . ALA A 1 100 26.048 27.765 12.402 A 679 ? 1.00 27.97 1
872ATOM 758 C C . ALA A 1 100 27.497 27.918 12.871 A 679 ? 1.00 30.60 1
873ATOM 759 O O . ALA A 1 100 27.772 28.216 14.044 A 679 ? 1.00 33.21 1
874ATOM 760 C CB . ALA A 1 100 25.734 26.289 12.098 A 679 ? 1.00 24.75 1
875ATOM 761 N N . LEU A 1 101 28.440 27.730 11.957 A 680 ? 1.00 27.39 1
876ATOM 762 C CA . LEU A 1 101 29.848 27.819 12.329 A 680 ? 1.00 31.78 1
877ATOM 763 C C . LEU A 1 101 30.190 29.197 12.892 A 680 ? 1.00 31.05 1
878ATOM 764 O O . LEU A 1 101 30.877 29.311 13.916 A 680 ? 1.00 29.74 1
879ATOM 765 C CB . LEU A 1 101 30.718 27.484 11.121 A 680 ? 1.00 28.97 1
880ATOM 766 C CG . LEU A 1 101 30.627 26.073 10.554 A 680 ? 1.00 32.72 1
881ATOM 767 C CD1 . LEU A 1 101 31.483 25.973 9.311 A 680 ? 1.00 39.34 1
882ATOM 768 C CD2 . LEU A 1 101 31.174 25.135 11.615 A 680 ? 1.00 32.16 1
883ATOM 769 N N . GLU A 1 102 29.714 30.258 12.249 A 681 ? 1.00 34.07 1
884ATOM 770 C CA . GLU A 1 102 30.011 31.591 12.773 A 681 ? 1.00 37.01 1
885ATOM 771 C C . GLU A 1 102 29.498 31.739 14.199 A 681 ? 1.00 37.55 1
886ATOM 772 O O . GLU A 1 102 30.239 32.155 15.101 A 681 ? 1.00 31.44 1
887ATOM 773 C CB . GLU A 1 102 29.413 32.669 11.878 A 681 ? 1.00 38.08 1
888ATOM 774 C CG . GLU A 1 102 29.742 34.043 12.406 A 681 ? 1.00 45.59 1
889ATOM 775 C CD . GLU A 1 102 29.157 35.155 11.576 A 681 ? 1.00 49.11 1
890ATOM 776 O OE1 . GLU A 1 102 28.430 34.886 10.587 A 681 ? 1.00 55.83 1
891ATOM 777 O OE2 . GLU A 1 102 29.486 36.305 11.892 A 681 ? 1.00 51.60 1
892ATOM 778 N N . LEU A 1 103 28.237 31.355 14.429 A 682 ? 1.00 30.39 1
893ATOM 779 C CA . LEU A 1 103 27.636 31.511 15.748 A 682 ? 1.00 32.17 1
894ATOM 780 C C . LEU A 1 103 28.291 30.615 16.789 A 682 ? 1.00 31.04 1
895ATOM 781 O O . LEU A 1 103 28.272 30.933 17.984 A 682 ? 1.00 31.82 1
896ATOM 782 C CB . LEU A 1 103 26.142 31.214 15.681 A 682 ? 1.00 30.60 1
897ATOM 783 C CG . LEU A 1 103 25.280 32.325 15.070 A 682 ? 1.00 31.53 1
898ATOM 784 C CD1 . LEU A 1 103 24.013 31.751 14.427 A 682 ? 1.00 36.13 1
899ATOM 785 C CD2 . LEU A 1 103 24.940 33.384 16.115 A 682 ? 1.00 35.93 1
900ATOM 786 N N . LEU A 1 104 28.810 29.464 16.376 A 683 ? 1.00 33.31 1
901ATOM 787 C CA . LEU A 1 104 29.536 28.609 17.303 A 683 ? 1.00 30.55 1
902ATOM 788 C C . LEU A 1 104 30.958 29.092 17.523 A 683 ? 1.00 36.15 1
903ATOM 789 O O . LEU A 1 104 31.546 28.806 18.576 A 683 ? 1.00 31.33 1
904ATOM 790 C CB . LEU A 1 104 29.552 27.170 16.785 A 683 ? 1.00 30.77 1
905ATOM 791 C CG . LEU A 1 104 28.192 26.489 16.723 A 683 ? 1.00 31.95 1
906ATOM 792 C CD1 . LEU A 1 104 28.291 25.164 15.991 A 683 ? 1.00 30.49 1
907ATOM 793 C CD2 . LEU A 1 104 27.686 26.290 18.130 A 683 ? 1.00 34.27 1
908ATOM 794 N N . GLY A 1 105 31.522 29.787 16.531 A 684 ? 1.00 38.72 1
909ATOM 795 C CA . GLY A 1 105 32.821 30.434 16.628 A 684 ? 1.00 36.66 1
910ATOM 796 C C . GLY A 1 105 34.017 29.524 16.807 A 684 ? 1.00 40.93 1
911ATOM 797 O O . GLY A 1 105 34.820 29.758 17.712 A 684 ? 1.00 32.06 1
912ATOM 798 N N . ASN A 1 106 34.161 28.500 15.954 A 685 ? 1.00 37.13 1
913ATOM 799 C CA . ASN A 1 106 35.247 27.536 16.085 A 685 ? 1.00 40.00 1
914ATOM 800 C C . ASN A 1 106 36.353 27.675 15.058 A 685 ? 1.00 39.08 1
915ATOM 801 O O . ASN A 1 106 37.493 27.306 15.353 A 685 ? 1.00 46.29 1
916ATOM 802 C CB . ASN A 1 106 34.715 26.092 16.011 A 685 ? 1.00 38.81 1
917ATOM 803 C CG . ASN A 1 106 33.759 25.791 17.110 A 685 ? 1.00 29.24 1
918ATOM 804 O OD1 . ASN A 1 106 32.561 25.760 16.904 A 685 ? 1.00 31.47 1
919ATOM 805 N ND2 . ASN A 1 106 34.283 25.648 18.322 A 685 ? 1.00 32.90 1
920ATOM 806 N N . PHE A 1 107 36.068 28.158 13.860 A 686 ? 1.00 38.02 1
921ATOM 807 C CA . PHE A 1 107 37.135 28.311 12.887 A 686 ? 1.00 39.59 1
922ATOM 808 C C . PHE A 1 107 37.462 29.792 12.677 A 686 ? 1.00 43.27 1
923ATOM 809 O O . PHE A 1 107 36.659 30.684 12.965 A 686 ? 1.00 38.03 1
924ATOM 810 C CB . PHE A 1 107 36.790 27.640 11.544 A 686 ? 1.00 41.35 1
925ATOM 811 C CG . PHE A 1 107 36.484 26.151 11.645 A 686 ? 1.00 36.80 1
926ATOM 812 C CD1 . PHE A 1 107 35.203 25.708 11.971 A 686 ? 1.00 37.60 1
927ATOM 813 C CD2 . PHE A 1 107 37.492 25.203 11.468 A 686 ? 1.00 34.59 1
928ATOM 814 C CE1 . PHE A 1 107 34.921 24.343 12.066 A 686 ? 1.00 31.31 1
929ATOM 815 C CE2 . PHE A 1 107 37.229 23.839 11.577 A 686 ? 1.00 38.55 1
930ATOM 816 C CZ . PHE A 1 107 35.929 23.409 11.878 A 686 ? 1.00 30.36 1
931ATOM 817 N N . LYS A 1 108 24.091 22.420 -1.283 A 702 ? 1.00 51.15 1
932ATOM 818 C CA . LYS A 1 108 23.147 21.844 -0.339 A 702 ? 1.00 49.08 1
933ATOM 819 C C . LYS A 1 108 23.842 20.828 0.556 A 702 ? 1.00 48.65 1
934ATOM 820 O O . LYS A 1 108 24.667 20.029 0.093 A 702 ? 1.00 48.16 1
935ATOM 821 C CB . LYS A 1 108 21.971 21.178 -1.062 A 702 ? 1.00 54.30 1
936ATOM 822 C CG . LYS A 1 108 21.041 22.161 -1.744 A 702 ? 1.00 54.03 1
937ATOM 823 C CD . LYS A 1 108 19.828 21.454 -2.323 A 702 ? 1.00 62.21 1
938ATOM 824 C CE . LYS A 1 108 18.854 22.456 -2.931 A 702 ? 1.00 68.20 1
939ATOM 825 N NZ . LYS A 1 108 17.622 21.789 -3.442 A 702 ? 1.00 67.77 1
940ATOM 826 N N . VAL A 1 109 23.490 20.857 1.843 A 703 ? 1.00 43.45 1
941ATOM 827 C CA . VAL A 1 109 24.051 19.952 2.829 A 703 ? 1.00 39.13 1
942ATOM 828 C C . VAL A 1 109 22.903 19.289 3.582 A 703 ? 1.00 40.29 1
943ATOM 829 O O . VAL A 1 109 21.728 19.615 3.399 A 703 ? 1.00 40.91 1
944ATOM 830 C CB . VAL A 1 109 25.019 20.671 3.798 A 703 ? 1.00 41.97 1
945ATOM 831 C CG1 . VAL A 1 109 26.116 21.377 3.017 A 703 ? 1.00 43.07 1
946ATOM 832 C CG2 . VAL A 1 109 24.280 21.658 4.679 A 703 ? 1.00 37.11 1
947ATOM 833 N N . TRP A 1 110 23.258 18.343 4.441 A 704 ? 1.00 33.14 1
948ATOM 834 C CA . TRP A 1 110 22.221 17.689 5.238 A 704 ? 1.00 34.14 1
949ATOM 835 C C . TRP A 1 110 22.885 17.187 6.520 A 704 ? 1.00 30.01 1
950ATOM 836 O O . TRP A 1 110 23.452 16.098 6.549 A 704 ? 1.00 32.57 1
951ATOM 837 C CB . TRP A 1 110 21.562 16.568 4.443 A 704 ? 1.00 34.45 1
952ATOM 838 C CG . TRP A 1 110 20.261 16.104 5.003 A 704 ? 1.00 35.30 1
953ATOM 839 C CD1 . TRP A 1 110 19.068 16.776 5.009 A 704 ? 1.00 40.09 1
954ATOM 840 C CD2 . TRP A 1 110 20.028 14.863 5.655 A 704 ? 1.00 37.73 1
955ATOM 841 N NE1 . TRP A 1 110 18.102 16.015 5.626 A 704 ? 1.00 37.61 1
956ATOM 842 C CE2 . TRP A 1 110 18.666 14.833 6.027 A 704 ? 1.00 37.29 1
957ATOM 843 C CE3 . TRP A 1 110 20.838 13.758 5.952 A 704 ? 1.00 41.56 1
958ATOM 844 C CZ2 . TRP A 1 110 18.102 13.746 6.690 A 704 ? 1.00 36.95 1
959ATOM 845 C CZ3 . TRP A 1 110 20.280 12.680 6.605 A 704 ? 1.00 41.40 1
960ATOM 846 C CH2 . TRP A 1 110 18.918 12.682 6.968 A 704 ? 1.00 43.52 1
961ATOM 847 N N . ILE A 1 111 22.835 18.006 7.566 A 705 ? 1.00 30.87 1
962ATOM 848 C CA . ILE A 1 111 23.429 17.626 8.842 A 705 ? 1.00 28.19 1
963ATOM 849 C C . ILE A 1 111 22.638 18.264 9.976 A 705 ? 1.00 29.66 1
964ATOM 850 O O . ILE A 1 111 22.283 19.451 9.919 A 705 ? 1.00 31.60 1
965ATOM 851 C CB . ILE A 1 111 24.917 18.019 8.906 A 705 ? 1.00 33.99 1
966ATOM 852 C CG1 . ILE A 1 111 25.532 17.500 10.206 A 705 ? 1.00 30.16 1
967ATOM 853 C CG2 . ILE A 1 111 25.074 19.559 8.765 A 705 ? 1.00 32.70 1
968ATOM 854 C CD1 . ILE A 1 111 27.005 17.724 10.297 A 705 ? 1.00 37.05 1
969ATOM 855 N N . GLY A 1 112 22.337 17.469 11.003 A 706 ? 1.00 26.04 1
970ATOM 856 C CA . GLY A 1 112 21.658 18.007 12.159 A 706 ? 1.00 27.38 1
971ATOM 857 C C . GLY A 1 112 22.624 18.732 13.075 A 706 ? 1.00 26.35 1
972ATOM 858 O O . GLY A 1 112 23.788 18.361 13.195 A 706 ? 1.00 23.55 1
973ATOM 859 N N . ILE A 1 113 22.114 19.781 13.735 A 707 ? 1.00 26.86 1
974ATOM 860 C CA . ILE A 1 113 22.955 20.642 14.572 A 707 ? 1.00 22.47 1
975ATOM 861 C C . ILE A 1 113 23.770 19.800 15.557 A 707 ? 1.00 27.64 1
976ATOM 862 O O . ILE A 1 113 24.976 20.009 15.721 A 707 ? 1.00 24.27 1
977ATOM 863 C CB . ILE A 1 113 22.084 21.711 15.272 A 707 ? 1.00 27.44 1
978ATOM 864 C CG1 . ILE A 1 113 22.920 22.687 16.123 A 707 ? 1.00 27.05 1
979ATOM 865 C CG2 . ILE A 1 113 21.012 21.071 16.165 A 707 ? 1.00 21.29 1
980ATOM 866 C CD1 . ILE A 1 113 23.914 23.471 15.321 A 707 ? 1.00 26.39 1
981ATOM 867 N N . LYS A 1 114 23.165 18.765 16.156 A 708 ? 1.00 22.26 1
982ATOM 868 C CA . LYS A 1 114 23.929 17.998 17.143 A 708 ? 1.00 24.46 1
983ATOM 869 C C . LYS A 1 114 25.086 17.242 16.494 A 708 ? 1.00 23.19 1
984ATOM 870 O O . LYS A 1 114 26.190 17.178 17.056 A 708 ? 1.00 25.50 1
985ATOM 871 C CB . LYS A 1 114 23.011 17.039 17.896 A 708 ? 1.00 27.97 1
986ATOM 872 C CG . LYS A 1 114 23.661 16.261 19.028 A 708 ? 1.00 28.59 1
987ATOM 873 C CD . LYS A 1 114 22.570 15.354 19.600 A 708 ? 1.00 29.58 1
988ATOM 874 C CE . LYS A 1 114 23.017 14.443 20.691 A 708 ? 1.00 41.92 1
989ATOM 875 N NZ . LYS A 1 114 21.847 13.573 21.045 A 708 ? 1.00 49.14 1
990ATOM 876 N N . LYS A 1 115 24.863 16.666 15.310 A 709 ? 1.00 26.89 1
991ATOM 877 C CA . LYS A 1 115 25.944 15.981 14.603 A 709 ? 1.00 26.03 1
992ATOM 878 C C . LYS A 1 115 27.036 16.969 14.205 A 709 ? 1.00 26.45 1
993ATOM 879 O O . LYS A 1 115 28.225 16.627 14.191 A 709 ? 1.00 24.71 1
994ATOM 880 C CB . LYS A 1 115 25.383 15.295 13.355 A 709 ? 1.00 30.31 1
995ATOM 881 C CG . LYS A 1 115 26.374 14.440 12.555 A 709 ? 1.00 31.63 1
996ATOM 882 C CD . LYS A 1 115 27.313 13.643 13.449 A 709 ? 1.00 33.63 1
997ATOM 883 C CE . LYS A 1 115 26.860 12.175 13.580 A 709 ? 1.00 43.44 1
998ATOM 884 N NZ . LYS A 1 115 27.398 11.543 14.827 A 709 ? 1.00 41.43 1
999ATOM 885 N N . LEU A 1 116 26.635 18.189 13.826 A 710 ? 1.00 24.60 1
1000ATOM 886 C CA . LEU A 1 116 27.607 19.211 13.456 A 710 ? 1.00 27.42 1
1001ATOM 887 C C . LEU A 1 116 28.543 19.530 14.609 A 710 ? 1.00 25.86 1
1002ATOM 888 O O . LEU A 1 116 29.752 19.660 14.403 A 710 ? 1.00 31.88 1
1003ATOM 889 C CB . LEU A 1 116 26.896 20.473 12.975 A 710 ? 1.00 22.08 1
1004ATOM 890 C CG . LEU A 1 116 27.856 21.644 12.683 A 710 ? 1.00 22.33 1
1005ATOM 891 C CD1 . LEU A 1 116 28.853 21.300 11.602 A 710 ? 1.00 21.54 1
1006ATOM 892 C CD2 . LEU A 1 116 27.091 22.917 12.326 A 710 ? 1.00 23.95 1
1007ATOM 893 N N . LEU A 1 117 28.004 19.664 15.829 A 711 ? 1.00 26.27 1
1008ATOM 894 C CA . LEU A 1 117 28.850 19.932 16.991 A 711 ? 1.00 28.30 1
1009ATOM 895 C C . LEU A 1 117 29.922 18.868 17.151 A 711 ? 1.00 28.95 1
1010ATOM 896 O O . LEU A 1 117 31.054 19.161 17.565 A 711 ? 1.00 23.26 1
1011ATOM 897 C CB . LEU A 1 117 27.997 20.009 18.253 A 711 ? 1.00 25.79 1
1012ATOM 898 C CG . LEU A 1 117 27.034 21.188 18.349 A 711 ? 1.00 27.01 1
1013ATOM 899 C CD1 . LEU A 1 117 26.234 21.041 19.586 A 711 ? 1.00 26.06 1
1014ATOM 900 C CD2 . LEU A 1 117 27.881 22.474 18.433 A 711 ? 1.00 32.13 1
1015HETATM 901 N N . MSE A 1 118 29.579 17.626 16.841 A 712 ? 1.00 27.96 1
1016HETATM 902 C CA . MSE A 1 118 30.514 16.517 16.978 A 712 ? 1.00 29.76 1
1017HETATM 903 C C . MSE A 1 118 31.612 16.558 15.909 A 712 ? 1.00 24.48 1
1018HETATM 904 O O . MSE A 1 118 32.789 16.315 16.201 A 712 ? 1.00 27.57 1
1019HETATM 905 C CB . MSE A 1 118 29.730 15.184 16.915 A 712 ? 1.00 23.30 1
1020HETATM 906 C CG . MSE A 1 118 30.609 13.970 16.949 A 712 ? 1.00 30.80 1
1021HETATM 907 Se SE . MSE A 1 118 31.421 13.749 18.692 A 712 ? 1.00 51.90 1
1022HETATM 908 C CE . MSE A 1 118 29.777 13.757 19.777 A 712 ? 1.00 34.55 1
1023ATOM 909 N N . LEU A 1 119 31.219 16.833 14.663 A 713 ? 1.00 22.76 1
1024ATOM 910 C CA . LEU A 1 119 32.200 16.875 13.584 A 713 ? 1.00 26.66 1
1025ATOM 911 C C . LEU A 1 119 33.185 18.016 13.803 A 713 ? 1.00 28.48 1
1026ATOM 912 O O . LEU A 1 119 34.377 17.891 13.501 A 713 ? 1.00 25.78 1
1027ATOM 913 C CB . LEU A 1 119 31.502 17.039 12.240 A 713 ? 1.00 23.20 1
1028ATOM 914 C CG . LEU A 1 119 30.477 15.958 11.861 A 713 ? 1.00 27.26 1
1029ATOM 915 C CD1 . LEU A 1 119 30.074 16.133 10.421 A 713 ? 1.00 31.58 1
1030ATOM 916 C CD2 . LEU A 1 119 31.072 14.585 12.068 A 713 ? 1.00 27.91 1
1031ATOM 917 N N . ILE A 1 120 32.692 19.134 14.331 A 714 ? 1.00 25.73 1
1032ATOM 918 C CA . ILE A 1 120 33.562 20.255 14.685 A 714 ? 1.00 24.41 1
1033ATOM 919 C C . ILE A 1 120 34.589 19.810 15.717 A 714 ? 1.00 27.06 1
1034ATOM 920 O O . ILE A 1 120 35.804 19.940 15.511 A 714 ? 1.00 27.75 1
1035ATOM 921 C CB . ILE A 1 120 32.713 21.431 15.204 A 714 ? 1.00 25.07 1
1036ATOM 922 C CG1 . ILE A 1 120 31.805 21.947 14.089 A 714 ? 1.00 23.36 1
1037ATOM 923 C CG2 . ILE A 1 120 33.627 22.544 15.809 A 714 ? 1.00 25.00 1
1038ATOM 924 C CD1 . ILE A 1 120 30.853 23.061 14.518 A 714 ? 1.00 27.62 1
1039ATOM 925 N N . GLU A 1 121 34.110 19.266 16.845 A 715 ? 1.00 24.31 1
1040ATOM 926 C CA . GLU A 1 121 35.011 18.896 17.931 A 715 ? 1.00 27.20 1
1041ATOM 927 C C . GLU A 1 121 36.073 17.914 17.460 A 715 ? 1.00 28.32 1
1042ATOM 928 O O . GLU A 1 121 37.218 17.963 17.923 A 715 ? 1.00 28.68 1
1043ATOM 929 C CB . GLU A 1 121 34.219 18.290 19.091 A 715 ? 1.00 28.96 1
1044ATOM 930 C CG . GLU A 1 121 33.463 19.326 19.916 A 715 ? 1.00 31.83 1
1045ATOM 931 C CD . GLU A 1 121 34.312 20.544 20.258 A 715 ? 1.00 25.83 1
1046ATOM 932 O OE1 . GLU A 1 121 34.095 21.565 19.608 A 715 ? 1.00 27.14 1
1047ATOM 933 O OE2 . GLU A 1 121 35.151 20.471 21.177 A 715 ? 1.00 25.57 1
1048HETATM 934 N N . MSE A 1 122 35.729 17.062 16.503 A 716 ? 1.00 26.90 1
1049HETATM 935 C CA . MSE A 1 122 36.669 16.072 15.989 A 716 ? 1.00 30.14 1
1050HETATM 936 C C . MSE A 1 122 37.727 16.752 15.145 A 716 ? 1.00 30.20 1
1051HETATM 937 O O . MSE A 1 122 38.903 16.421 15.230 A 716 ? 1.00 31.98 1
1052HETATM 938 C CB . MSE A 1 122 35.934 15.029 15.162 A 716 ? 1.00 26.88 1
1053HETATM 939 C CG . MSE A 1 122 35.278 14.053 16.027 A 716 ? 1.00 34.75 1
1054HETATM 940 Se SE . MSE A 1 122 34.209 12.856 14.969 A 716 ? 1.00 66.66 1
1055HETATM 941 C CE . MSE A 1 122 34.576 11.297 16.058 A 716 ? 1.00 46.48 1
1056ATOM 942 N N . SER A 1 123 37.274 17.693 14.318 A 717 ? 1.00 31.70 1
1057ATOM 943 C CA . SER A 1 123 38.193 18.495 13.520 A 717 ? 1.00 26.44 1
1058ATOM 944 C C . SER A 1 123 39.210 19.199 14.400 A 717 ? 1.00 31.67 1
1059ATOM 945 O O . SER A 1 123 40.400 19.234 14.074 A 717 ? 1.00 34.80 1
1060ATOM 946 C CB . SER A 1 123 37.412 19.511 12.699 A 717 ? 1.00 31.91 1
1061ATOM 947 O OG . SER A 1 123 36.558 18.823 11.799 A 717 ? 1.00 38.37 1
1062ATOM 948 N N . LEU A 1 124 38.759 19.758 15.525 A 718 ? 1.00 32.52 1
1063ATOM 949 C CA . LEU A 1 124 39.626 20.551 16.383 A 718 ? 1.00 34.98 1
1064ATOM 950 C C . LEU A 1 124 40.747 19.732 16.991 A 718 ? 1.00 37.29 1
1065ATOM 951 O O . LEU A 1 124 41.677 20.312 17.552 A 718 ? 1.00 29.54 1
1066ATOM 952 C CB . LEU A 1 124 38.816 21.202 17.494 A 718 ? 1.00 32.24 1
1067ATOM 953 C CG . LEU A 1 124 37.659 22.078 16.995 A 718 ? 1.00 32.12 1
1068ATOM 954 C CD1 . LEU A 1 124 36.897 22.676 18.171 A 718 ? 1.00 32.99 1
1069ATOM 955 C CD2 . LEU A 1 124 38.082 23.147 15.970 A 718 ? 1.00 33.11 1
1070ATOM 956 N N . GLN A 1 125 40.684 18.407 16.906 A 719 ? 1.00 33.13 1
1071ATOM 957 C CA . GLN A 1 125 41.761 17.602 17.457 A 719 ? 1.00 39.22 1
1072ATOM 958 C C . GLN A 1 125 42.967 17.535 16.536 A 719 ? 1.00 38.73 1
1073ATOM 959 O O . GLN A 1 125 44.013 17.032 16.958 A 719 ? 1.00 41.60 1
1074ATOM 960 C CB . GLN A 1 125 41.268 16.186 17.751 A 719 ? 1.00 38.81 1
1075ATOM 961 C CG . GLN A 1 125 40.027 16.154 18.595 A 719 ? 1.00 36.63 1
1076ATOM 962 C CD . GLN A 1 125 40.147 17.067 19.800 A 719 ? 1.00 39.00 1
1077ATOM 963 O OE1 . GLN A 1 125 41.089 16.958 20.593 A 719 ? 1.00 34.83 1
1078ATOM 964 N NE2 . GLN A 1 125 39.172 17.959 19.958 A 719 ? 1.00 30.73 1
1079ATOM 965 N N . LEU A 1 126 35.030 14.694 6.923 A 732 ? 1.00 38.27 1
1080ATOM 966 C CA . LEU A 1 126 33.949 14.222 7.784 A 732 ? 1.00 34.70 1
1081ATOM 967 C C . LEU A 1 126 32.583 14.640 7.243 A 732 ? 1.00 41.35 1
1082ATOM 968 O O . LEU A 1 126 31.633 13.854 7.271 A 732 ? 1.00 41.26 1
1083ATOM 969 C CB . LEU A 1 126 34.153 14.752 9.204 A 732 ? 1.00 34.37 1
1084ATOM 970 C CG . LEU A 1 126 35.353 14.186 9.967 A 732 ? 1.00 40.01 1
1085ATOM 971 C CD1 . LEU A 1 126 35.609 14.944 11.273 A 732 ? 1.00 34.91 1
1086ATOM 972 C CD2 . LEU A 1 126 35.148 12.694 10.220 A 732 ? 1.00 35.68 1
1087ATOM 973 N N . LEU A 1 127 32.465 15.876 6.748 A 733 ? 1.00 41.74 1
1088ATOM 974 C CA . LEU A 1 127 31.201 16.348 6.184 A 733 ? 1.00 42.19 1
1089ATOM 975 C C . LEU A 1 127 30.870 15.618 4.889 A 733 ? 1.00 48.05 1
1090ATOM 976 O O . LEU A 1 127 29.696 15.343 4.606 A 733 ? 1.00 43.92 1
1091ATOM 977 C CB . LEU A 1 127 31.269 17.864 5.966 A 733 ? 1.00 41.89 1
1092ATOM 978 C CG . LEU A 1 127 30.126 18.739 5.415 A 733 ? 1.00 50.29 1
1093ATOM 979 C CD1 . LEU A 1 127 30.521 20.202 5.522 A 733 ? 1.00 47.36 1
1094ATOM 980 C CD2 . LEU A 1 127 29.767 18.450 3.952 A 733 ? 1.00 50.26 1
1095ATOM 981 N N . LEU F 6 . 5.572 6.341 14.155 A 652 ? 1.00 24.28 1
1096ATOM 982 C CA . LEU F 6 . 4.450 6.839 14.953 A 652 ? 1.00 22.63 1
1097ATOM 983 C C . LEU F 6 . 3.166 6.887 14.138 A 652 ? 1.00 24.40 1
1098ATOM 984 O O . LEU F 6 . 2.084 6.628 14.673 A 652 ? 1.00 28.17 1
1099ATOM 985 C CB . LEU F 6 . 4.789 8.213 15.537 A 652 ? 1.00 23.95 1
1100ATOM 986 C CG . LEU F 6 . 5.611 8.139 16.827 A 652 ? 1.00 32.40 1
1101ATOM 987 C CD1 . LEU F 6 . 6.817 7.306 16.706 A 652 ? 1.00 27.95 1
1102ATOM 988 C CD2 . LEU F 6 . 5.984 9.568 17.238 A 652 ? 1.00 25.83 1
1103ATOM 989 N N . PHE F 6 . -1.922 13.327 18.099 A 661 ? 1.00 32.46 1
1104ATOM 990 C CA . PHE F 6 . -1.342 14.663 18.243 A 661 ? 1.00 27.38 1
1105ATOM 991 C C . PHE F 6 . -2.201 15.710 17.550 A 661 ? 1.00 29.51 1
1106ATOM 992 O O . PHE F 6 . -2.738 15.482 16.462 A 661 ? 1.00 28.12 1
1107ATOM 993 C CB . PHE F 6 . 0.074 14.713 17.675 A 661 ? 1.00 27.09 1
1108ATOM 994 C CG . PHE F 6 . 1.115 14.119 18.580 A 661 ? 1.00 27.85 1
1109ATOM 995 C CD1 . PHE F 6 . 1.653 14.875 19.614 A 661 ? 1.00 26.82 1
1110ATOM 996 C CD2 . PHE F 6 . 1.598 12.824 18.367 A 661 ? 1.00 27.16 1
1111ATOM 997 C CE1 . PHE F 6 . 2.609 14.348 20.453 A 661 ? 1.00 24.10 1
1112ATOM 998 C CE2 . PHE F 6 . 2.567 12.296 19.184 A 661 ? 1.00 28.27 1
1113ATOM 999 C CZ . PHE F 6 . 3.085 13.048 20.231 A 661 ? 1.00 28.95 1
1114ATOM 1000 N N . ARG F 6 . 36.902 29.404 7.710 A 691 ? 1.00 40.75 1
1115ATOM 1001 C CA . ARG F 6 . 35.526 29.510 7.236 A 691 ? 1.00 39.19 1
1116ATOM 1002 C C . ARG F 6 . 35.495 29.850 5.748 A 691 ? 1.00 46.20 1
1117ATOM 1003 O O . ARG F 6 . 34.685 29.296 4.988 A 691 ? 1.00 43.67 1
1118ATOM 1004 C CB . ARG F 6 . 34.783 30.566 8.057 A 691 ? 1.00 40.75 1
1119ATOM 1005 C CG . ARG F 6 . 34.530 30.185 9.522 A 691 ? 1.00 45.95 1
1120ATOM 1006 C CD . ARG F 6 . 33.856 31.340 10.271 A 691 ? 1.00 48.13 1
1121ATOM 1007 N NE . ARG F 6 . 34.000 31.253 11.722 A 691 ? 1.00 51.69 1
1122ATOM 1008 C CZ . ARG F 6 . 33.665 32.225 12.566 A 691 ? 1.00 49.24 1
1123ATOM 1009 N NH1 . ARG F 6 . 33.149 33.366 12.139 A 691 ? 1.00 47.52 1
1124ATOM 1010 N NH2 . ARG F 6 . 33.869 32.058 13.870 A 691 ? 1.00 42.92 1
1125ATOM 1011 N N . ILE F 6 . 36.001 26.790 3.875 A 694 ? 1.00 41.82 1
1126ATOM 1012 C CA . ILE F 6 . 34.792 25.969 3.947 A 694 ? 1.00 38.72 1
1127ATOM 1013 C C . ILE F 6 . 33.709 26.551 3.049 A 694 ? 1.00 42.15 1
1128ATOM 1014 O O . ILE F 6 . 33.028 25.825 2.311 A 694 ? 1.00 46.09 1
1129ATOM 1015 C CB . ILE F 6 . 34.313 25.854 5.403 A 694 ? 1.00 40.41 1
1130ATOM 1016 C CG1 . ILE F 6 . 35.386 25.180 6.263 A 694 ? 1.00 32.98 1
1131ATOM 1017 C CG2 . ILE F 6 . 32.989 25.065 5.463 A 694 ? 1.00 36.82 1
1132ATOM 1018 C CD1 . ILE F 6 . 35.050 25.143 7.747 A 694 ? 1.00 32.50 1
1133ATOM 1019 N N . PHE F 6 . 37.558 18.487 8.654 A 729 ? 1.00 35.71 1
1134ATOM 1020 C CA . PHE F 6 . 36.151 18.866 8.728 A 729 ? 1.00 30.64 1
1135ATOM 1021 C C . PHE F 6 . 35.414 18.529 7.443 A 729 ? 1.00 33.27 1
1136ATOM 1022 O O . PHE F 6 . 34.287 18.015 7.476 A 729 ? 1.00 35.54 1
1137ATOM 1023 C CB . PHE F 6 . 36.032 20.365 9.022 A 729 ? 1.00 32.29 1
1138ATOM 1024 C CG . PHE F 6 . 34.616 20.840 9.220 A 729 ? 1.00 28.92 1
1139ATOM 1025 C CD1 . PHE F 6 . 33.894 20.491 10.350 A 729 ? 1.00 33.32 1
1140ATOM 1026 C CD2 . PHE F 6 . 33.989 21.586 8.242 A 729 ? 1.00 32.31 1
1141ATOM 1027 C CE1 . PHE F 6 . 32.580 20.936 10.519 A 729 ? 1.00 28.81 1
1142ATOM 1028 C CE2 . PHE F 6 . 32.690 22.011 8.400 A 729 ? 1.00 34.20 1
1143ATOM 1029 C CZ . PHE F 6 . 31.985 21.688 9.536 A 729 ? 1.00 29.55 1
1144ATOM 1030 N N . GLU F 6 . 31.503 12.501 3.913 A 735 ? 1.00 51.46 1
1145ATOM 1031 C CA . GLU F 6 . 31.064 11.108 4.008 A 735 ? 1.00 59.61 1
1146ATOM 1032 C C . GLU F 6 . 29.869 10.888 4.940 A 735 ? 1.00 57.37 1
1147ATOM 1033 O O . GLU F 6 . 29.159 11.818 5.329 A 735 ? 1.00 58.89 1
1148ATOM 1034 C CB . GLU F 6 . 32.235 10.212 4.438 A 735 ? 1.00 56.60 1
1149ATOM 1035 C CG . GLU F 6 . 32.966 10.638 5.701 A 735 ? 1.00 54.44 1
1150ATOM 1036 C CD . GLU F 6 . 34.297 9.913 5.874 A 735 ? 1.00 67.15 1
1151ATOM 1037 O OE1 . GLU F 6 . 35.161 10.003 4.968 A 735 ? 1.00 66.28 1
1152ATOM 1038 O OE2 . GLU F 6 . 34.481 9.262 6.927 A 735 ? 1.00 75.00 1
1153ATOM 1039 O OXT . GLU F 6 . 29.569 9.748 5.295 A 735 ? 1.00 58.63 1
1154#
1155loop_
1156_struct_conn.id
1157_struct_conn.conn_type_id
1158_struct_conn.ptnr1_label_atom_id
1159_struct_conn.pdbx_ptnr1_label_alt_id
1160_struct_conn.ptnr1_label_asym_id
1161_struct_conn.ptnr1_label_seq_id
1162_struct_conn.ptnr1_auth_asym_id
1163_struct_conn.ptnr1_auth_seq_id
1164_struct_conn.pdbx_ptnr1_PDB_ins_code
1165_struct_conn.ptnr1_label_comp_id
1166_struct_conn.ptnr1_symmetry
1167_struct_conn.ptnr2_label_atom_id
1168_struct_conn.pdbx_ptnr2_label_alt_id
1169_struct_conn.ptnr2_label_asym_id
1170_struct_conn.ptnr2_label_seq_id
1171_struct_conn.ptnr2_auth_asym_id
1172_struct_conn.ptnr2_auth_seq_id
1173_struct_conn.pdbx_ptnr2_PDB_ins_code
1174_struct_conn.ptnr2_label_comp_id
1175_struct_conn.ptnr2_symmetry
1176_struct_conn.pdbx_dist_value
1177covale1 covale C . A 9 A 503 ? ILE 1_555 N . A 10 A 504 ? MSE 1_555 1.330
1178covale2 covale C . A 10 A 504 ? MSE 1_555 N . A 11 A 505 ? ASN 1_555 1.335
1179covale3 covale C . A 61 A 572 ? LYS 1_555 N . A 62 A 573 ? MSE 1_555 1.333
1180covale4 covale C . A 62 A 573 ? MSE 1_555 N . A 63 A 574 ? ILE 1_555 1.333
1181covale5 covale C . A 117 A 711 ? LEU 1_555 N . A 118 A 712 ? MSE 1_555 1.325
1182covale6 covale C . A 118 A 712 ? MSE 1_555 N . A 119 A 713 ? LEU 1_555 1.335
1183covale7 covale C . A 121 A 715 ? GLU 1_555 N . A 122 A 716 ? MSE 1_555 1.327
1184covale8 covale C . A 122 A 716 ? MSE 1_555 N . A 123 A 717 ? SER 1_555 1.332
1185#
1186_struct_conn_type.id covale
1187#
1188loop_
1189_struct_conf.id
1190_struct_conf.conf_type_id
1191_struct_conf.beg_label_comp_id
1192_struct_conf.beg_label_asym_id
1193_struct_conf.beg_label_seq_id
1194_struct_conf.end_label_comp_id
1195_struct_conf.end_label_asym_id
1196_struct_conf.end_label_seq_id
1197_struct_conf.beg_auth_asym_id
1198_struct_conf.beg_auth_seq_id
1199_struct_conf.pdbx_beg_PDB_ins_code
1200_struct_conf.end_auth_asym_id
1201_struct_conf.end_auth_seq_id
1202_struct_conf.pdbx_end_PDB_ins_code
1203HELX1 HELX_P TYR A 5 SER A 7 A 499 ? A 501 ?
1204HELX2 HELX_P ASP A 18 VAL A 30 A 512 ? A 525 ?
1205HELX3 HELX_P LYS A 41 SER A 52 A 549 ? A 560 ?
1206HELX4 HELX_P PRO A 59 LYS A 61 A 570 ? A 572 ?
1207HELX5 HELX_P ILE A 70 LEU A 73 A 605 ? A 608 ?
1208HELX6 HELX_P LYS A 82 ASP A 83 A 649 ? A 650 ?
1209HELX7 HELX_P LEU F . LEU F . A 652 ? A 652 ?
1210HELX8 HELX_P GLY A 94 LEU A 104 A 673 ? A 683 ?
1211HELX9 HELX_P ARG F . ARG F . A 691 ? A 691 ?
1212HELX10 HELX_P ILE F . ILE F . A 694 ? A 694 ?
1213HELX11 HELX_P ILE A 113 GLN A 125 A 707 ? A 719 ?
1214HELX12 HELX_P PHE F . PHE F . A 729 ? A 729 ?
1215HELX13 HELX_P LEU A 126 LEU A 127 A 732 ? A 733 ?
1216#
1217_struct_conf_type.id HELX_P
1218#
1219loop_
1220_struct_sheet_range.sheet_id
1221_struct_sheet_range.id
1222_struct_sheet_range.beg_label_comp_id
1223_struct_sheet_range.beg_label_asym_id
1224_struct_sheet_range.beg_label_seq_id
1225_struct_sheet_range.end_label_comp_id
1226_struct_sheet_range.end_label_asym_id
1227_struct_sheet_range.end_label_seq_id
1228_struct_sheet_range.symmetry
1229_struct_sheet_range.beg_auth_asym_id
1230_struct_sheet_range.beg_auth_seq_id
1231_struct_sheet_range.pdbx_beg_PDB_ins_code
1232_struct_sheet_range.end_auth_asym_id
1233_struct_sheet_range.end_auth_seq_id
1234_struct_sheet_range.pdbx_end_PDB_ins_code
1235? 1 VAL A 31 GLU A 34 1_555 A 539 ? A 542 ?
1236? 2 ILE A 54 CYS A 57 1_555 A 565 ? A 568 ?
1237? 3 CYS A 64 VAL A 67 1_555 A 599 ? A 602 ?
1238? 4 LEU A 74 THR A 79 1_555 A 641 ? A 646 ?
1239? 5 THR A 84 HIS A 87 1_555 A 663 ? A 666 ?
1240#