Réimplémentation du programme DSSP en Python

1bta_without_H.pdb 69KB

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  1. HEADER RIBONUCLEASE INHIBITOR 09-MAY-94 1BTA
  2. TITLE THREE-DIMENSIONAL SOLUTION STRUCTURE AND 13C ASSIGNMENTS OF
  3. TITLE 2 BARSTAR USING NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY
  4. COMPND MOL_ID: 1;
  5. COMPND 2 MOLECULE: BARSTAR;
  6. COMPND 3 CHAIN: A;
  7. COMPND 4 ENGINEERED: YES
  8. SOURCE MOL_ID: 1;
  9. SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS AMYLOLIQUEFACIENS;
  10. SOURCE 3 ORGANISM_TAXID: 1390
  11. KEYWDS RIBONUCLEASE INHIBITOR
  12. EXPDTA SOLUTION NMR
  13. AUTHOR M.J.LUBIENSKI,M.BYCROFT,S.M.V.FREUND,A.R.FERSHT
  14. REVDAT 2 24-FEB-09 1BTA 1 VERSN
  15. REVDAT 1 31-JUL-94 1BTA 0
  16. JRNL AUTH M.J.LUBIENSKI,M.BYCROFT,S.M.FREUND,A.R.FERSHT
  17. JRNL TITL THREE-DIMENSIONAL SOLUTION STRUCTURE AND 13C
  18. JRNL TITL 2 ASSIGNMENTS OF BARSTAR USING NUCLEAR MAGNETIC
  19. JRNL TITL 3 RESONANCE SPECTROSCOPY.
  20. JRNL REF BIOCHEMISTRY V. 33 8866 1994
  21. JRNL REFN ISSN 0006-2960
  22. JRNL PMID 8043574
  23. JRNL DOI 10.1021/BI00196A003
  24. REMARK 1
  25. REMARK 1 REFERENCE 1
  26. REMARK 1 AUTH R.W.HARTLEY
  27. REMARK 1 TITL BARNASE AND BARSTAR: TWO SMALL PROTEINS TO FOLD
  28. REMARK 1 TITL 2 AND FIT TOGETHER
  29. REMARK 1 REF TRENDS BIOCHEM.SCI. V. 14 450 1989
  30. REMARK 1 REFN ISSN 0968-0004
  31. REMARK 2
  32. REMARK 2 RESOLUTION. NOT APPLICABLE.
  33. REMARK 3
  34. REMARK 3 REFINEMENT.
  35. REMARK 3 PROGRAM : X-PLOR
  36. REMARK 3 AUTHORS : BRUNGER
  37. REMARK 3
  38. REMARK 3 OTHER REFINEMENT REMARKS: NULL
  39. REMARK 4
  40. REMARK 4 1BTA COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
  41. REMARK 100
  42. REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.
  43. REMARK 210
  44. REMARK 210 EXPERIMENTAL DETAILS
  45. REMARK 210 EXPERIMENT TYPE : NMR
  46. REMARK 210 TEMPERATURE (KELVIN) : NULL
  47. REMARK 210 PH : NULL
  48. REMARK 210 IONIC STRENGTH : NULL
  49. REMARK 210 PRESSURE : NULL
  50. REMARK 210 SAMPLE CONTENTS : NULL
  51. REMARK 210
  52. REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL
  53. REMARK 210 SPECTROMETER FIELD STRENGTH : NULL
  54. REMARK 210 SPECTROMETER MODEL : NULL
  55. REMARK 210 SPECTROMETER MANUFACTURER : NULL
  56. REMARK 210
  57. REMARK 210 STRUCTURE DETERMINATION.
  58. REMARK 210 SOFTWARE USED : NULL
  59. REMARK 210 METHOD USED : NULL
  60. REMARK 210
  61. REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL
  62. REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1
  63. REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL
  64. REMARK 210
  65. REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL
  66. REMARK 210
  67. REMARK 210 REMARK: NULL
  68. REMARK 215
  69. REMARK 215 NMR STUDY
  70. REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION
  71. REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT
  72. REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON
  73. REMARK 215 THESE RECORDS ARE MEANINGLESS.
  74. REMARK 500
  75. REMARK 500 GEOMETRY AND STEREOCHEMISTRY
  76. REMARK 500 SUBTOPIC: TORSION ANGLES
  77. REMARK 500
  78. REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:
  79. REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
  80. REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
  81. REMARK 500
  82. REMARK 500 STANDARD TABLE:
  83. REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)
  84. REMARK 500
  85. REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-
  86. REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400
  87. REMARK 500
  88. REMARK 500 M RES CSSEQI PSI PHI
  89. REMARK 500 PRO A 27 -179.66 -57.36
  90. REMARK 500 TYR A 30 105.85 -38.41
  91. REMARK 500 GLU A 32 3.60 50.07
  92. REMARK 500 TRP A 44 -66.63 177.13
  93. REMARK 500 LEU A 62 -32.03 -33.51
  94. REMARK 500 GLU A 64 106.99 -12.37
  95. REMARK 500 ASN A 65 32.13 73.69
  96. REMARK 500 ASP A 83 65.33 -109.29
  97. REMARK 500 THR A 85 98.90 -52.92
  98. REMARK 500
  99. REMARK 500 REMARK: NULL
  100. REMARK 500
  101. REMARK 500 GEOMETRY AND STEREOCHEMISTRY
  102. REMARK 500 SUBTOPIC: PLANAR GROUPS
  103. REMARK 500
  104. REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL
  105. REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE
  106. REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN
  107. REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS
  108. REMARK 500 AN RMSD GREATER THAN THIS VALUE
  109. REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
  110. REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
  111. REMARK 500
  112. REMARK 500 M RES CSSEQI RMS TYPE
  113. REMARK 500 ARG A 11 0.17 SIDE_CHAIN
  114. REMARK 500 ARG A 54 0.31 SIDE_CHAIN
  115. REMARK 500 ARG A 75 0.11 SIDE_CHAIN
  116. REMARK 500
  117. REMARK 500 REMARK: NULL
  118. REMARK 900
  119. REMARK 900 RELATED ENTRIES
  120. REMARK 900 RELATED ID: 1BTB RELATED DB: PDB
  121. DBREF 1BTA A 1 89 UNP P11540 BARS_BACAM 1 89
  122. SEQRES 1 A 89 LYS LYS ALA VAL ILE ASN GLY GLU GLN ILE ARG SER ILE
  123. SEQRES 2 A 89 SER ASP LEU HIS GLN THR LEU LYS LYS GLU LEU ALA LEU
  124. SEQRES 3 A 89 PRO GLU TYR TYR GLY GLU ASN LEU ASP ALA LEU TRP ASP
  125. SEQRES 4 A 89 CYS LEU THR GLY TRP VAL GLU TYR PRO LEU VAL LEU GLU
  126. SEQRES 5 A 89 TRP ARG GLN PHE GLU GLN SER LYS GLN LEU THR GLU ASN
  127. SEQRES 6 A 89 GLY ALA GLU SER VAL LEU GLN VAL PHE ARG GLU ALA LYS
  128. SEQRES 7 A 89 ALA GLU GLY CYS ASP ILE THR ILE ILE LEU SER
  129. HELIX 1 H1 SER A 14 ALA A 25 1 12
  130. HELIX 2 H2 ASN A 33 GLY A 43 1 11
  131. HELIX 3 H3 PHE A 56 THR A 63 1 8
  132. HELIX 4 H4 GLU A 68 GLY A 81 1 14
  133. SHEET 1 SH1 3 LYS A 1 ASN A 6 0
  134. SHEET 2 SH1 3 LEU A 49 ARG A 54 1
  135. SHEET 3 SH1 3 ASP A 83 SER A 89 1
  136. CISPEP 1 TYR A 47 PRO A 48 0 0.92
  137. CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1
  138. ORIGX1 1.000000 0.000000 0.000000 0.00000
  139. ORIGX2 0.000000 1.000000 0.000000 0.00000
  140. ORIGX3 0.000000 0.000000 1.000000 0.00000
  141. SCALE1 1.000000 0.000000 0.000000 0.00000
  142. SCALE2 0.000000 1.000000 0.000000 0.00000
  143. SCALE3 0.000000 0.000000 1.000000 0.00000
  144. ATOM 1 N LYS A 1 -8.655 5.770 8.371 1.00 1.40 N
  145. ATOM 2 CA LYS A 1 -7.542 5.187 9.163 1.00 0.52 C
  146. ATOM 3 C LYS A 1 -6.210 5.619 8.561 1.00 0.39 C
  147. ATOM 4 O LYS A 1 -6.156 6.468 7.693 1.00 0.33 O
  148. ATOM 5 CB LYS A 1 -7.641 3.666 9.159 1.00 1.53 C
  149. ATOM 6 CG LYS A 1 -7.750 3.179 10.602 1.00 2.38 C
  150. ATOM 7 CD LYS A 1 -9.158 3.466 11.126 1.00 3.11 C
  151. ATOM 8 CE LYS A 1 -9.145 4.744 11.965 1.00 3.58 C
  152. ATOM 9 NZ LYS A 1 -9.497 4.416 13.375 1.00 4.21 N
  153. ATOM 25 N LYS A 2 -5.128 5.066 9.028 1.00 0.51 N
  154. ATOM 26 CA LYS A 2 -3.813 5.485 8.490 1.00 0.44 C
  155. ATOM 27 C LYS A 2 -2.931 4.277 8.172 1.00 0.41 C
  156. ATOM 28 O LYS A 2 -3.040 3.218 8.757 1.00 0.58 O
  157. ATOM 29 CB LYS A 2 -3.138 6.383 9.534 1.00 0.63 C
  158. ATOM 30 CG LYS A 2 -1.624 6.134 9.604 1.00 1.04 C
  159. ATOM 31 CD LYS A 2 -0.967 7.224 10.453 1.00 0.93 C
  160. ATOM 32 CE LYS A 2 0.116 7.929 9.634 1.00 0.63 C
  161. ATOM 33 NZ LYS A 2 1.057 8.630 10.551 1.00 1.43 N
  162. ATOM 47 N ALA A 3 -2.040 4.474 7.250 1.00 0.27 N
  163. ATOM 48 CA ALA A 3 -1.086 3.403 6.848 1.00 0.30 C
  164. ATOM 49 C ALA A 3 0.316 4.013 6.751 1.00 0.30 C
  165. ATOM 50 O ALA A 3 0.469 5.207 6.586 1.00 0.54 O
  166. ATOM 51 CB ALA A 3 -1.491 2.834 5.486 1.00 0.34 C
  167. ATOM 57 N VAL A 4 1.342 3.214 6.860 1.00 0.30 N
  168. ATOM 58 CA VAL A 4 2.725 3.769 6.780 1.00 0.27 C
  169. ATOM 59 C VAL A 4 3.643 2.773 6.074 1.00 0.26 C
  170. ATOM 60 O VAL A 4 3.842 1.667 6.535 1.00 0.33 O
  171. ATOM 61 CB VAL A 4 3.250 4.021 8.194 1.00 0.30 C
  172. ATOM 62 CG1 VAL A 4 4.617 4.709 8.122 1.00 0.35 C
  173. ATOM 63 CG2 VAL A 4 2.262 4.915 8.946 1.00 0.35 C
  174. ATOM 73 N ILE A 5 4.210 3.153 4.961 1.00 0.23 N
  175. ATOM 74 CA ILE A 5 5.117 2.213 4.245 1.00 0.23 C
  176. ATOM 75 C ILE A 5 6.570 2.567 4.552 1.00 0.25 C
  177. ATOM 76 O ILE A 5 7.176 3.388 3.893 1.00 0.27 O
  178. ATOM 77 CB ILE A 5 4.879 2.300 2.742 1.00 0.23 C
  179. ATOM 78 CG1 ILE A 5 3.360 2.231 2.478 1.00 0.23 C
  180. ATOM 79 CG2 ILE A 5 5.620 1.142 2.061 1.00 0.24 C
  181. ATOM 80 CD1 ILE A 5 3.034 1.246 1.346 1.00 0.22 C
  182. ATOM 92 N ASN A 6 7.134 1.947 5.547 1.00 0.27 N
  183. ATOM 93 CA ASN A 6 8.545 2.232 5.905 1.00 0.31 C
  184. ATOM 94 C ASN A 6 9.466 1.399 5.009 1.00 0.31 C
  185. ATOM 95 O ASN A 6 9.611 0.207 5.189 1.00 0.35 O
  186. ATOM 96 CB ASN A 6 8.759 1.859 7.370 1.00 0.37 C
  187. ATOM 97 CG ASN A 6 8.067 2.890 8.264 1.00 0.65 C
  188. ATOM 98 OD1 ASN A 6 7.534 3.869 7.782 1.00 1.48 O
  189. ATOM 99 ND2 ASN A 6 8.054 2.711 9.557 1.00 1.13 N
  190. ATOM 106 N GLY A 7 10.078 2.017 4.035 1.00 0.33 N
  191. ATOM 107 CA GLY A 7 10.976 1.261 3.114 1.00 0.36 C
  192. ATOM 108 C GLY A 7 12.182 0.718 3.879 1.00 0.35 C
  193. ATOM 109 O GLY A 7 12.583 -0.414 3.694 1.00 0.46 O
  194. ATOM 113 N GLU A 8 12.767 1.509 4.735 1.00 0.38 N
  195. ATOM 114 CA GLU A 8 13.946 1.022 5.505 1.00 0.43 C
  196. ATOM 115 C GLU A 8 13.659 -0.390 6.019 1.00 0.39 C
  197. ATOM 116 O GLU A 8 14.559 -1.170 6.260 1.00 0.45 O
  198. ATOM 117 CB GLU A 8 14.207 1.950 6.696 1.00 0.53 C
  199. ATOM 118 CG GLU A 8 14.064 3.409 6.256 1.00 1.39 C
  200. ATOM 119 CD GLU A 8 14.660 4.324 7.328 1.00 1.74 C
  201. ATOM 120 OE1 GLU A 8 14.225 4.232 8.464 1.00 2.30 O
  202. ATOM 121 OE2 GLU A 8 15.540 5.100 6.994 1.00 2.19 O
  203. ATOM 128 N GLN A 9 12.408 -0.720 6.195 1.00 0.35 N
  204. ATOM 129 CA GLN A 9 12.051 -2.069 6.699 1.00 0.38 C
  205. ATOM 130 C GLN A 9 11.745 -3.001 5.523 1.00 0.35 C
  206. ATOM 131 O GLN A 9 12.213 -4.121 5.468 1.00 0.40 O
  207. ATOM 132 CB GLN A 9 10.811 -1.937 7.578 1.00 0.43 C
  208. ATOM 133 CG GLN A 9 11.027 -0.819 8.600 1.00 0.50 C
  209. ATOM 134 CD GLN A 9 11.790 -1.365 9.805 1.00 1.06 C
  210. ATOM 135 OE1 GLN A 9 12.979 -1.155 9.931 1.00 1.97 O
  211. ATOM 136 NE2 GLN A 9 11.151 -2.059 10.705 1.00 1.49 N
  212. ATOM 145 N ILE A 10 10.952 -2.550 4.591 1.00 0.32 N
  213. ATOM 146 CA ILE A 10 10.597 -3.408 3.424 1.00 0.34 C
  214. ATOM 147 C ILE A 10 11.825 -4.171 2.934 1.00 0.31 C
  215. ATOM 148 O ILE A 10 12.893 -3.617 2.765 1.00 0.35 O
  216. ATOM 149 CB ILE A 10 10.059 -2.546 2.281 1.00 0.37 C
  217. ATOM 150 CG1 ILE A 10 8.683 -2.005 2.655 1.00 0.51 C
  218. ATOM 151 CG2 ILE A 10 9.933 -3.402 1.018 1.00 0.35 C
  219. ATOM 152 CD1 ILE A 10 7.689 -3.158 2.715 1.00 0.78 C
  220. ATOM 164 N ARG A 11 11.668 -5.440 2.692 1.00 0.33 N
  221. ATOM 165 CA ARG A 11 12.794 -6.261 2.200 1.00 0.37 C
  222. ATOM 166 C ARG A 11 12.423 -6.834 0.830 1.00 0.39 C
  223. ATOM 167 O ARG A 11 13.251 -7.368 0.120 1.00 0.48 O
  224. ATOM 168 CB ARG A 11 13.035 -7.400 3.184 1.00 0.50 C
  225. ATOM 169 CG ARG A 11 13.677 -6.844 4.458 1.00 0.57 C
  226. ATOM 170 CD ARG A 11 15.105 -7.376 4.589 1.00 1.27 C
  227. ATOM 171 NE ARG A 11 15.489 -7.404 6.030 1.00 1.87 N
  228. ATOM 172 CZ ARG A 11 16.544 -8.065 6.417 1.00 2.53 C
  229. ATOM 173 NH1 ARG A 11 16.881 -9.170 5.815 1.00 3.26 N
  230. ATOM 174 NH2 ARG A 11 17.261 -7.620 7.412 1.00 2.99 N
  231. ATOM 188 N SER A 12 11.174 -6.725 0.458 1.00 0.37 N
  232. ATOM 189 CA SER A 12 10.732 -7.258 -0.860 1.00 0.45 C
  233. ATOM 190 C SER A 12 9.270 -6.869 -1.096 1.00 0.42 C
  234. ATOM 191 O SER A 12 8.619 -6.289 -0.242 1.00 0.37 O
  235. ATOM 192 CB SER A 12 10.862 -8.781 -0.865 1.00 0.56 C
  236. ATOM 193 OG SER A 12 11.282 -9.221 0.419 1.00 1.44 O
  237. ATOM 199 N ILE A 13 8.741 -7.185 -2.245 1.00 0.47 N
  238. ATOM 200 CA ILE A 13 7.324 -6.831 -2.520 1.00 0.46 C
  239. ATOM 201 C ILE A 13 6.445 -7.446 -1.435 1.00 0.41 C
  240. ATOM 202 O ILE A 13 5.579 -6.799 -0.887 1.00 0.36 O
  241. ATOM 203 CB ILE A 13 6.908 -7.370 -3.892 1.00 0.56 C
  242. ATOM 204 CG1 ILE A 13 5.570 -6.749 -4.313 1.00 0.63 C
  243. ATOM 205 CG2 ILE A 13 6.753 -8.888 -3.812 1.00 0.64 C
  244. ATOM 206 CD1 ILE A 13 5.564 -5.246 -4.010 1.00 0.57 C
  245. ATOM 218 N SER A 14 6.669 -8.690 -1.109 1.00 0.46 N
  246. ATOM 219 CA SER A 14 5.851 -9.332 -0.047 1.00 0.44 C
  247. ATOM 220 C SER A 14 5.859 -8.424 1.179 1.00 0.37 C
  248. ATOM 221 O SER A 14 4.837 -8.162 1.781 1.00 0.35 O
  249. ATOM 222 CB SER A 14 6.453 -10.689 0.312 1.00 0.50 C
  250. ATOM 223 OG SER A 14 5.481 -11.469 0.996 1.00 1.07 O
  251. ATOM 229 N ASP A 15 7.009 -7.928 1.541 1.00 0.34 N
  252. ATOM 230 CA ASP A 15 7.097 -7.021 2.709 1.00 0.30 C
  253. ATOM 231 C ASP A 15 6.187 -5.819 2.475 1.00 0.24 C
  254. ATOM 232 O ASP A 15 5.470 -5.386 3.353 1.00 0.23 O
  255. ATOM 233 CB ASP A 15 8.536 -6.538 2.871 1.00 0.30 C
  256. ATOM 234 CG ASP A 15 9.056 -6.939 4.254 1.00 0.33 C
  257. ATOM 235 OD1 ASP A 15 8.483 -7.843 4.840 1.00 1.17 O
  258. ATOM 236 OD2 ASP A 15 10.015 -6.335 4.705 1.00 1.08 O
  259. ATOM 241 N LEU A 16 6.211 -5.283 1.288 1.00 0.25 N
  260. ATOM 242 CA LEU A 16 5.347 -4.111 0.980 1.00 0.23 C
  261. ATOM 243 C LEU A 16 3.898 -4.464 1.298 1.00 0.22 C
  262. ATOM 244 O LEU A 16 3.233 -3.804 2.073 1.00 0.21 O
  263. ATOM 245 CB LEU A 16 5.470 -3.779 -0.505 1.00 0.28 C
  264. ATOM 246 CG LEU A 16 4.802 -2.436 -0.784 1.00 0.31 C
  265. ATOM 247 CD1 LEU A 16 5.341 -1.386 0.188 1.00 0.31 C
  266. ATOM 248 CD2 LEU A 16 5.110 -2.013 -2.219 1.00 0.39 C
  267. ATOM 260 N HIS A 17 3.413 -5.509 0.701 1.00 0.22 N
  268. ATOM 261 CA HIS A 17 2.018 -5.941 0.944 1.00 0.22 C
  269. ATOM 262 C HIS A 17 1.874 -6.363 2.405 1.00 0.19 C
  270. ATOM 263 O HIS A 17 0.786 -6.432 2.941 1.00 0.19 O
  271. ATOM 264 CB HIS A 17 1.715 -7.120 0.024 1.00 0.26 C
  272. ATOM 265 CG HIS A 17 1.994 -6.716 -1.397 1.00 0.32 C
  273. ATOM 266 ND1 HIS A 17 1.294 -5.699 -2.026 1.00 0.38 N
  274. ATOM 267 CD2 HIS A 17 2.895 -7.181 -2.324 1.00 0.40 C
  275. ATOM 268 CE1 HIS A 17 1.779 -5.586 -3.276 1.00 0.44 C
  276. ATOM 269 NE2 HIS A 17 2.756 -6.465 -3.510 1.00 0.45 N
  277. ATOM 277 N GLN A 18 2.969 -6.639 3.055 1.00 0.19 N
  278. ATOM 278 CA GLN A 18 2.905 -7.047 4.475 1.00 0.19 C
  279. ATOM 279 C GLN A 18 2.501 -5.844 5.322 1.00 0.17 C
  280. ATOM 280 O GLN A 18 1.541 -5.888 6.067 1.00 0.18 O
  281. ATOM 281 CB GLN A 18 4.275 -7.553 4.927 1.00 0.21 C
  282. ATOM 282 CG GLN A 18 4.092 -8.654 5.975 1.00 0.55 C
  283. ATOM 283 CD GLN A 18 5.461 -9.139 6.452 1.00 1.31 C
  284. ATOM 284 OE1 GLN A 18 6.390 -8.363 6.557 1.00 2.11 O
  285. ATOM 285 NE2 GLN A 18 5.626 -10.399 6.749 1.00 2.02 N
  286. ATOM 294 N THR A 19 3.229 -4.764 5.217 1.00 0.17 N
  287. ATOM 295 CA THR A 19 2.882 -3.573 6.019 1.00 0.17 C
  288. ATOM 296 C THR A 19 1.519 -3.063 5.542 1.00 0.17 C
  289. ATOM 297 O THR A 19 0.682 -2.691 6.328 1.00 0.18 O
  290. ATOM 298 CB THR A 19 3.976 -2.492 5.860 1.00 0.20 C
  291. ATOM 299 OG1 THR A 19 4.593 -2.276 7.121 1.00 0.22 O
  292. ATOM 300 CG2 THR A 19 3.371 -1.165 5.396 1.00 0.21 C
  293. ATOM 308 N LEU A 20 1.286 -3.056 4.258 1.00 0.16 N
  294. ATOM 309 CA LEU A 20 -0.022 -2.590 3.751 1.00 0.18 C
  295. ATOM 310 C LEU A 20 -1.104 -3.472 4.365 1.00 0.17 C
  296. ATOM 311 O LEU A 20 -2.183 -3.040 4.683 1.00 0.24 O
  297. ATOM 312 CB LEU A 20 -0.050 -2.738 2.232 1.00 0.19 C
  298. ATOM 313 CG LEU A 20 0.878 -1.705 1.588 1.00 0.20 C
  299. ATOM 314 CD1 LEU A 20 0.822 -1.851 0.068 1.00 0.23 C
  300. ATOM 315 CD2 LEU A 20 0.434 -0.292 1.981 1.00 0.21 C
  301. ATOM 327 N LYS A 21 -0.794 -4.716 4.530 1.00 0.16 N
  302. ATOM 328 CA LYS A 21 -1.760 -5.680 5.122 1.00 0.16 C
  303. ATOM 329 C LYS A 21 -2.011 -5.324 6.586 1.00 0.17 C
  304. ATOM 330 O LYS A 21 -3.123 -5.365 7.059 1.00 0.19 O
  305. ATOM 331 CB LYS A 21 -1.173 -7.088 5.035 1.00 0.17 C
  306. ATOM 332 CG LYS A 21 -2.174 -8.100 5.593 1.00 0.29 C
  307. ATOM 333 CD LYS A 21 -1.414 -9.229 6.292 1.00 0.68 C
  308. ATOM 334 CE LYS A 21 -2.407 -10.255 6.837 1.00 1.26 C
  309. ATOM 335 NZ LYS A 21 -1.733 -11.101 7.860 1.00 1.94 N
  310. ATOM 349 N LYS A 22 -0.991 -4.980 7.317 1.00 0.18 N
  311. ATOM 350 CA LYS A 22 -1.204 -4.631 8.741 1.00 0.20 C
  312. ATOM 351 C LYS A 22 -2.006 -3.335 8.817 1.00 0.23 C
  313. ATOM 352 O LYS A 22 -3.074 -3.277 9.390 1.00 0.29 O
  314. ATOM 353 CB LYS A 22 0.142 -4.442 9.432 1.00 0.22 C
  315. ATOM 354 CG LYS A 22 0.148 -5.278 10.717 1.00 0.83 C
  316. ATOM 355 CD LYS A 22 1.553 -5.339 11.302 1.00 1.43 C
  317. ATOM 356 CE LYS A 22 1.494 -6.033 12.671 1.00 2.18 C
  318. ATOM 357 NZ LYS A 22 2.827 -6.602 13.001 1.00 2.84 N
  319. ATOM 371 N GLU A 23 -1.495 -2.303 8.219 1.00 0.22 N
  320. ATOM 372 CA GLU A 23 -2.195 -1.004 8.212 1.00 0.26 C
  321. ATOM 373 C GLU A 23 -3.621 -1.224 7.716 1.00 0.24 C
  322. ATOM 374 O GLU A 23 -4.587 -1.066 8.436 1.00 0.27 O
  323. ATOM 375 CB GLU A 23 -1.450 -0.080 7.250 1.00 0.29 C
  324. ATOM 376 CG GLU A 23 -0.006 0.098 7.725 1.00 0.35 C
  325. ATOM 377 CD GLU A 23 0.032 1.057 8.914 1.00 1.53 C
  326. ATOM 378 OE1 GLU A 23 -1.026 1.364 9.438 1.00 2.29 O
  327. ATOM 379 OE2 GLU A 23 1.120 1.471 9.280 1.00 2.27 O
  328. ATOM 386 N LEU A 24 -3.737 -1.599 6.480 1.00 0.23 N
  329. ATOM 387 CA LEU A 24 -5.066 -1.859 5.871 1.00 0.23 C
  330. ATOM 388 C LEU A 24 -5.767 -2.996 6.618 1.00 0.22 C
  331. ATOM 389 O LEU A 24 -6.953 -3.209 6.467 1.00 0.24 O
  332. ATOM 390 CB LEU A 24 -4.848 -2.277 4.418 1.00 0.21 C
  333. ATOM 391 CG LEU A 24 -4.150 -1.150 3.658 1.00 0.25 C
  334. ATOM 392 CD1 LEU A 24 -3.120 -1.750 2.701 1.00 0.20 C
  335. ATOM 393 CD2 LEU A 24 -5.184 -0.352 2.862 1.00 0.40 C
  336. ATOM 405 N ALA A 25 -5.043 -3.736 7.416 1.00 0.21 N
  337. ATOM 406 CA ALA A 25 -5.667 -4.860 8.158 1.00 0.22 C
  338. ATOM 407 C ALA A 25 -6.369 -5.796 7.170 1.00 0.21 C
  339. ATOM 408 O ALA A 25 -7.501 -6.191 7.366 1.00 0.23 O
  340. ATOM 409 CB ALA A 25 -6.670 -4.292 9.152 1.00 0.26 C
  341. ATOM 415 N LEU A 26 -5.693 -6.152 6.112 1.00 0.21 N
  342. ATOM 416 CA LEU A 26 -6.293 -7.062 5.095 1.00 0.24 C
  343. ATOM 417 C LEU A 26 -6.438 -8.468 5.690 1.00 0.28 C
  344. ATOM 418 O LEU A 26 -5.795 -8.792 6.669 1.00 0.30 O
  345. ATOM 419 CB LEU A 26 -5.371 -7.117 3.872 1.00 0.23 C
  346. ATOM 420 CG LEU A 26 -4.954 -5.697 3.483 1.00 0.21 C
  347. ATOM 421 CD1 LEU A 26 -3.954 -5.751 2.337 1.00 0.26 C
  348. ATOM 422 CD2 LEU A 26 -6.187 -4.909 3.043 1.00 0.23 C
  349. ATOM 434 N PRO A 27 -7.280 -9.262 5.077 1.00 0.34 N
  350. ATOM 435 CA PRO A 27 -7.526 -10.643 5.529 1.00 0.41 C
  351. ATOM 436 C PRO A 27 -6.221 -11.438 5.555 1.00 0.39 C
  352. ATOM 437 O PRO A 27 -5.165 -10.932 5.233 1.00 0.31 O
  353. ATOM 438 CB PRO A 27 -8.489 -11.230 4.490 1.00 0.48 C
  354. ATOM 439 CG PRO A 27 -8.880 -10.091 3.514 1.00 0.48 C
  355. ATOM 440 CD PRO A 27 -8.054 -8.852 3.890 1.00 0.38 C
  356. ATOM 448 N GLU A 28 -6.289 -12.685 5.931 1.00 0.50 N
  357. ATOM 449 CA GLU A 28 -5.058 -13.519 5.972 1.00 0.53 C
  358. ATOM 450 C GLU A 28 -4.729 -13.997 4.558 1.00 0.49 C
  359. ATOM 451 O GLU A 28 -3.622 -14.407 4.273 1.00 0.51 O
  360. ATOM 452 CB GLU A 28 -5.295 -14.732 6.871 1.00 0.67 C
  361. ATOM 453 CG GLU A 28 -5.557 -14.268 8.305 1.00 1.14 C
  362. ATOM 454 CD GLU A 28 -5.237 -15.405 9.276 1.00 1.65 C
  363. ATOM 455 OE1 GLU A 28 -4.380 -16.210 8.953 1.00 2.31 O
  364. ATOM 456 OE2 GLU A 28 -5.856 -15.452 10.327 1.00 2.20 O
  365. ATOM 463 N TYR A 29 -5.686 -13.952 3.671 1.00 0.47 N
  366. ATOM 464 CA TYR A 29 -5.426 -14.409 2.279 1.00 0.44 C
  367. ATOM 465 C TYR A 29 -5.020 -13.218 1.409 1.00 0.37 C
  368. ATOM 466 O TYR A 29 -4.999 -13.312 0.198 1.00 0.38 O
  369. ATOM 467 CB TYR A 29 -6.686 -15.061 1.704 1.00 0.51 C
  370. ATOM 468 CG TYR A 29 -7.900 -14.250 2.087 1.00 0.66 C
  371. ATOM 469 CD1 TYR A 29 -8.300 -13.171 1.290 1.00 1.29 C
  372. ATOM 470 CD2 TYR A 29 -8.627 -14.579 3.237 1.00 1.53 C
  373. ATOM 471 CE1 TYR A 29 -9.428 -12.421 1.643 1.00 1.43 C
  374. ATOM 472 CE2 TYR A 29 -9.756 -13.829 3.590 1.00 1.75 C
  375. ATOM 473 CZ TYR A 29 -10.156 -12.750 2.793 1.00 1.24 C
  376. ATOM 474 OH TYR A 29 -11.268 -12.011 3.140 1.00 1.57 O
  377. ATOM 484 N TYR A 30 -4.694 -12.103 2.017 1.00 0.32 N
  378. ATOM 485 CA TYR A 30 -4.275 -10.903 1.222 1.00 0.28 C
  379. ATOM 486 C TYR A 30 -3.419 -11.366 0.035 1.00 0.32 C
  380. ATOM 487 O TYR A 30 -2.281 -11.759 0.193 1.00 0.38 O
  381. ATOM 488 CB TYR A 30 -3.462 -9.958 2.121 1.00 0.29 C
  382. ATOM 489 CG TYR A 30 -3.006 -8.741 1.339 1.00 0.20 C
  383. ATOM 490 CD1 TYR A 30 -3.750 -8.286 0.243 1.00 0.47 C
  384. ATOM 491 CD2 TYR A 30 -1.832 -8.068 1.715 1.00 0.48 C
  385. ATOM 492 CE1 TYR A 30 -3.319 -7.163 -0.477 1.00 0.49 C
  386. ATOM 493 CE2 TYR A 30 -1.400 -6.943 0.995 1.00 0.49 C
  387. ATOM 494 CZ TYR A 30 -2.145 -6.493 -0.102 1.00 0.25 C
  388. ATOM 495 OH TYR A 30 -1.724 -5.388 -0.814 1.00 0.36 O
  389. ATOM 505 N GLY A 31 -3.974 -11.339 -1.151 1.00 0.39 N
  390. ATOM 506 CA GLY A 31 -3.215 -11.796 -2.357 1.00 0.51 C
  391. ATOM 507 C GLY A 31 -2.004 -10.892 -2.611 1.00 0.58 C
  392. ATOM 508 O GLY A 31 -1.214 -11.146 -3.495 1.00 1.36 O
  393. ATOM 512 N GLU A 32 -1.870 -9.835 -1.853 1.00 0.56 N
  394. ATOM 513 CA GLU A 32 -0.726 -8.877 -2.011 1.00 0.54 C
  395. ATOM 514 C GLU A 32 -0.533 -8.420 -3.470 1.00 0.54 C
  396. ATOM 515 O GLU A 32 0.377 -7.671 -3.760 1.00 0.59 O
  397. ATOM 516 CB GLU A 32 0.582 -9.491 -1.474 1.00 0.66 C
  398. ATOM 517 CG GLU A 32 0.741 -10.947 -1.915 1.00 1.51 C
  399. ATOM 518 CD GLU A 32 2.052 -11.506 -1.358 1.00 1.87 C
  400. ATOM 519 OE1 GLU A 32 3.044 -10.799 -1.410 1.00 2.36 O
  401. ATOM 520 OE2 GLU A 32 2.040 -12.632 -0.890 1.00 2.37 O
  402. ATOM 527 N ASN A 33 -1.373 -8.817 -4.389 1.00 0.51 N
  403. ATOM 528 CA ASN A 33 -1.203 -8.335 -5.792 1.00 0.53 C
  404. ATOM 529 C ASN A 33 -1.891 -6.977 -5.927 1.00 0.50 C
  405. ATOM 530 O ASN A 33 -2.423 -6.444 -4.974 1.00 0.56 O
  406. ATOM 531 CB ASN A 33 -1.811 -9.321 -6.806 1.00 0.54 C
  407. ATOM 532 CG ASN A 33 -2.420 -10.533 -6.096 1.00 0.62 C
  408. ATOM 533 OD1 ASN A 33 -1.721 -11.465 -5.752 1.00 1.57 O
  409. ATOM 534 ND2 ASN A 33 -3.703 -10.559 -5.864 1.00 0.82 N
  410. ATOM 541 N LEU A 34 -1.918 -6.429 -7.107 1.00 0.48 N
  411. ATOM 542 CA LEU A 34 -2.609 -5.125 -7.305 1.00 0.47 C
  412. ATOM 543 C LEU A 34 -4.108 -5.392 -7.331 1.00 0.40 C
  413. ATOM 544 O LEU A 34 -4.911 -4.621 -6.852 1.00 0.37 O
  414. ATOM 545 CB LEU A 34 -2.204 -4.539 -8.650 1.00 0.55 C
  415. ATOM 546 CG LEU A 34 -0.749 -4.072 -8.606 1.00 0.64 C
  416. ATOM 547 CD1 LEU A 34 -0.358 -3.503 -9.971 1.00 0.82 C
  417. ATOM 548 CD2 LEU A 34 -0.590 -2.986 -7.539 1.00 0.61 C
  418. ATOM 560 N ASP A 35 -4.469 -6.494 -7.911 1.00 0.39 N
  419. ATOM 561 CA ASP A 35 -5.897 -6.886 -8.018 1.00 0.36 C
  420. ATOM 562 C ASP A 35 -6.467 -7.173 -6.632 1.00 0.30 C
  421. ATOM 563 O ASP A 35 -7.614 -6.894 -6.351 1.00 0.28 O
  422. ATOM 564 CB ASP A 35 -5.975 -8.167 -8.833 1.00 0.38 C
  423. ATOM 565 CG ASP A 35 -5.683 -7.865 -10.303 1.00 0.43 C
  424. ATOM 566 OD1 ASP A 35 -6.344 -7.000 -10.853 1.00 1.24 O
  425. ATOM 567 OD2 ASP A 35 -4.803 -8.506 -10.856 1.00 1.06 O
  426. ATOM 572 N ALA A 36 -5.676 -7.742 -5.769 1.00 0.29 N
  427. ATOM 573 CA ALA A 36 -6.180 -8.058 -4.401 1.00 0.25 C
  428. ATOM 574 C ALA A 36 -6.124 -6.799 -3.563 1.00 0.22 C
  429. ATOM 575 O ALA A 36 -7.111 -6.353 -3.016 1.00 0.22 O
  430. ATOM 576 CB ALA A 36 -5.310 -9.125 -3.749 1.00 0.29 C
  431. ATOM 582 N LEU A 37 -4.967 -6.217 -3.477 1.00 0.21 N
  432. ATOM 583 CA LEU A 37 -4.820 -4.966 -2.697 1.00 0.19 C
  433. ATOM 584 C LEU A 37 -5.987 -4.058 -3.064 1.00 0.16 C
  434. ATOM 585 O LEU A 37 -6.706 -3.539 -2.224 1.00 0.16 O
  435. ATOM 586 CB LEU A 37 -3.502 -4.299 -3.095 1.00 0.21 C
  436. ATOM 587 CG LEU A 37 -3.539 -2.815 -2.724 1.00 0.20 C
  437. ATOM 588 CD1 LEU A 37 -3.557 -2.667 -1.201 1.00 0.22 C
  438. ATOM 589 CD2 LEU A 37 -2.302 -2.115 -3.290 1.00 0.24 C
  439. ATOM 601 N TRP A 38 -6.173 -3.884 -4.333 1.00 0.17 N
  440. ATOM 602 CA TRP A 38 -7.277 -3.046 -4.821 1.00 0.16 C
  441. ATOM 603 C TRP A 38 -8.577 -3.613 -4.303 1.00 0.16 C
  442. ATOM 604 O TRP A 38 -9.345 -2.951 -3.643 1.00 0.16 O
  443. ATOM 605 CB TRP A 38 -7.315 -3.093 -6.341 1.00 0.18 C
  444. ATOM 606 CG TRP A 38 -8.456 -2.267 -6.801 1.00 0.18 C
  445. ATOM 607 CD1 TRP A 38 -9.708 -2.718 -6.963 1.00 0.21 C
  446. ATOM 608 CD2 TRP A 38 -8.476 -0.860 -7.128 1.00 0.18 C
  447. ATOM 609 NE1 TRP A 38 -10.508 -1.672 -7.389 1.00 0.23 N
  448. ATOM 610 CE2 TRP A 38 -9.785 -0.502 -7.508 1.00 0.20 C
  449. ATOM 611 CE3 TRP A 38 -7.487 0.125 -7.138 1.00 0.17 C
  450. ATOM 612 CZ2 TRP A 38 -10.099 0.802 -7.885 1.00 0.22 C
  451. ATOM 613 CZ3 TRP A 38 -7.785 1.430 -7.507 1.00 0.19 C
  452. ATOM 614 CH2 TRP A 38 -9.093 1.778 -7.885 1.00 0.20 C
  453. ATOM 625 N ASP A 39 -8.815 -4.850 -4.599 1.00 0.17 N
  454. ATOM 626 CA ASP A 39 -10.061 -5.500 -4.130 1.00 0.18 C
  455. ATOM 627 C ASP A 39 -10.283 -5.117 -2.672 1.00 0.18 C
  456. ATOM 628 O ASP A 39 -11.394 -5.091 -2.182 1.00 0.21 O
  457. ATOM 629 CB ASP A 39 -9.927 -7.017 -4.254 1.00 0.21 C
  458. ATOM 630 CG ASP A 39 -10.613 -7.488 -5.537 1.00 0.29 C
  459. ATOM 631 OD1 ASP A 39 -10.045 -7.286 -6.598 1.00 1.13 O
  460. ATOM 632 OD2 ASP A 39 -11.695 -8.044 -5.438 1.00 1.06 O
  461. ATOM 637 N CYS A 40 -9.222 -4.807 -1.977 1.00 0.17 N
  462. ATOM 638 CA CYS A 40 -9.354 -4.412 -0.556 1.00 0.19 C
  463. ATOM 639 C CYS A 40 -9.797 -2.948 -0.466 1.00 0.19 C
  464. ATOM 640 O CYS A 40 -10.745 -2.623 0.218 1.00 0.23 O
  465. ATOM 641 CB CYS A 40 -8.001 -4.580 0.132 1.00 0.21 C
  466. ATOM 642 SG CYS A 40 -7.334 -6.221 -0.239 1.00 0.58 S
  467. ATOM 648 N LEU A 41 -9.117 -2.057 -1.142 1.00 0.17 N
  468. ATOM 649 CA LEU A 41 -9.497 -0.625 -1.076 1.00 0.18 C
  469. ATOM 650 C LEU A 41 -10.943 -0.424 -1.548 1.00 0.21 C
  470. ATOM 651 O LEU A 41 -11.729 0.247 -0.908 1.00 0.45 O
  471. ATOM 652 CB LEU A 41 -8.562 0.173 -1.981 1.00 0.17 C
  472. ATOM 653 CG LEU A 41 -7.117 -0.285 -1.776 1.00 0.19 C
  473. ATOM 654 CD1 LEU A 41 -6.189 0.625 -2.567 1.00 0.18 C
  474. ATOM 655 CD2 LEU A 41 -6.760 -0.219 -0.289 1.00 0.31 C
  475. ATOM 667 N THR A 42 -11.284 -0.971 -2.679 1.00 0.26 N
  476. ATOM 668 CA THR A 42 -12.650 -0.794 -3.226 1.00 0.28 C
  477. ATOM 669 C THR A 42 -13.665 -1.664 -2.479 1.00 0.32 C
  478. ATOM 670 O THR A 42 -14.826 -1.704 -2.836 1.00 0.55 O
  479. ATOM 671 CB THR A 42 -12.649 -1.174 -4.708 1.00 0.26 C
  480. ATOM 672 OG1 THR A 42 -11.870 -2.347 -4.894 1.00 0.29 O
  481. ATOM 673 CG2 THR A 42 -12.054 -0.026 -5.525 1.00 0.40 C
  482. ATOM 681 N GLY A 43 -13.262 -2.363 -1.452 1.00 0.27 N
  483. ATOM 682 CA GLY A 43 -14.258 -3.210 -0.729 1.00 0.31 C
  484. ATOM 683 C GLY A 43 -13.627 -3.900 0.484 1.00 0.27 C
  485. ATOM 684 O GLY A 43 -13.610 -5.112 0.574 1.00 0.32 O
  486. ATOM 688 N TRP A 44 -13.125 -3.148 1.425 1.00 0.25 N
  487. ATOM 689 CA TRP A 44 -12.519 -3.775 2.630 1.00 0.23 C
  488. ATOM 690 C TRP A 44 -11.944 -2.689 3.540 1.00 0.23 C
  489. ATOM 691 O TRP A 44 -12.415 -2.466 4.637 1.00 0.27 O
  490. ATOM 692 CB TRP A 44 -11.402 -4.721 2.201 1.00 0.24 C
  491. ATOM 693 CG TRP A 44 -10.808 -5.362 3.411 1.00 0.26 C
  492. ATOM 694 CD1 TRP A 44 -9.735 -4.894 4.085 1.00 0.27 C
  493. ATOM 695 CD2 TRP A 44 -11.233 -6.571 4.106 1.00 0.30 C
  494. ATOM 696 NE1 TRP A 44 -9.470 -5.739 5.146 1.00 0.31 N
  495. ATOM 697 CE2 TRP A 44 -10.366 -6.788 5.202 1.00 0.34 C
  496. ATOM 698 CE3 TRP A 44 -12.274 -7.493 3.891 1.00 0.35 C
  497. ATOM 699 CZ2 TRP A 44 -10.527 -7.879 6.058 1.00 0.41 C
  498. ATOM 700 CZ3 TRP A 44 -12.439 -8.592 4.750 1.00 0.43 C
  499. ATOM 701 CH2 TRP A 44 -11.567 -8.785 5.831 1.00 0.45 C
  500. ATOM 712 N VAL A 45 -10.925 -2.016 3.089 1.00 0.25 N
  501. ATOM 713 CA VAL A 45 -10.304 -0.949 3.912 1.00 0.26 C
  502. ATOM 714 C VAL A 45 -11.350 0.112 4.253 1.00 0.25 C
  503. ATOM 715 O VAL A 45 -12.264 0.362 3.493 1.00 0.37 O
  504. ATOM 716 CB VAL A 45 -9.165 -0.300 3.125 1.00 0.30 C
  505. ATOM 717 CG1 VAL A 45 -8.436 0.706 4.017 1.00 0.42 C
  506. ATOM 718 CG2 VAL A 45 -8.181 -1.377 2.661 1.00 0.28 C
  507. ATOM 728 N GLU A 46 -11.215 0.751 5.382 1.00 0.21 N
  508. ATOM 729 CA GLU A 46 -12.197 1.808 5.755 1.00 0.23 C
  509. ATOM 730 C GLU A 46 -11.566 3.177 5.505 1.00 0.22 C
  510. ATOM 731 O GLU A 46 -10.440 3.435 5.880 1.00 0.22 O
  511. ATOM 732 CB GLU A 46 -12.600 1.688 7.231 1.00 0.30 C
  512. ATOM 733 CG GLU A 46 -11.576 0.848 7.993 1.00 1.31 C
  513. ATOM 734 CD GLU A 46 -12.107 0.545 9.395 1.00 1.80 C
  514. ATOM 735 OE1 GLU A 46 -13.089 -0.173 9.493 1.00 2.43 O
  515. ATOM 736 OE2 GLU A 46 -11.524 1.036 10.347 1.00 2.28 O
  516. ATOM 743 N TYR A 47 -12.285 4.047 4.861 1.00 0.22 N
  517. ATOM 744 CA TYR A 47 -11.744 5.402 4.559 1.00 0.22 C
  518. ATOM 745 C TYR A 47 -12.564 6.446 5.329 1.00 0.26 C
  519. ATOM 746 O TYR A 47 -13.586 6.110 5.892 1.00 0.29 O
  520. ATOM 747 CB TYR A 47 -11.851 5.623 3.045 1.00 0.24 C
  521. ATOM 748 CG TYR A 47 -10.868 4.720 2.323 1.00 0.24 C
  522. ATOM 749 CD1 TYR A 47 -9.830 4.081 3.021 1.00 1.25 C
  523. ATOM 750 CD2 TYR A 47 -10.994 4.520 0.945 1.00 1.21 C
  524. ATOM 751 CE1 TYR A 47 -8.935 3.251 2.342 1.00 1.27 C
  525. ATOM 752 CE2 TYR A 47 -10.094 3.692 0.272 1.00 1.20 C
  526. ATOM 753 CZ TYR A 47 -9.067 3.058 0.970 1.00 0.29 C
  527. ATOM 754 OH TYR A 47 -8.181 2.239 0.301 1.00 0.34 O
  528. ATOM 764 N PRO A 48 -12.102 7.682 5.359 1.00 0.27 N
  529. ATOM 765 CA PRO A 48 -10.858 8.134 4.685 1.00 0.25 C
  530. ATOM 766 C PRO A 48 -9.620 7.409 5.219 1.00 0.22 C
  531. ATOM 767 O PRO A 48 -9.455 7.234 6.406 1.00 0.30 O
  532. ATOM 768 CB PRO A 48 -10.761 9.631 5.010 1.00 0.28 C
  533. ATOM 769 CG PRO A 48 -11.970 10.004 5.902 1.00 0.33 C
  534. ATOM 770 CD PRO A 48 -12.815 8.738 6.097 1.00 0.32 C
  535. ATOM 778 N LEU A 49 -8.744 7.000 4.338 1.00 0.20 N
  536. ATOM 779 CA LEU A 49 -7.502 6.298 4.775 1.00 0.19 C
  537. ATOM 780 C LEU A 49 -6.301 7.182 4.462 1.00 0.19 C
  538. ATOM 781 O LEU A 49 -6.335 7.998 3.567 1.00 0.20 O
  539. ATOM 782 CB LEU A 49 -7.362 4.977 3.994 1.00 0.18 C
  540. ATOM 783 CG LEU A 49 -5.885 4.560 3.861 1.00 0.17 C
  541. ATOM 784 CD1 LEU A 49 -5.350 4.066 5.209 1.00 0.20 C
  542. ATOM 785 CD2 LEU A 49 -5.759 3.447 2.816 1.00 0.16 C
  543. ATOM 797 N VAL A 50 -5.222 6.985 5.157 1.00 0.21 N
  544. ATOM 798 CA VAL A 50 -4.003 7.770 4.857 1.00 0.22 C
  545. ATOM 799 C VAL A 50 -2.919 6.786 4.408 1.00 0.20 C
  546. ATOM 800 O VAL A 50 -2.748 5.736 4.987 1.00 0.21 O
  547. ATOM 801 CB VAL A 50 -3.555 8.555 6.114 1.00 0.26 C
  548. ATOM 802 CG1 VAL A 50 -2.135 8.158 6.542 1.00 0.26 C
  549. ATOM 803 CG2 VAL A 50 -3.567 10.051 5.802 1.00 0.29 C
  550. ATOM 813 N LEU A 51 -2.167 7.122 3.409 1.00 0.19 N
  551. ATOM 814 CA LEU A 51 -1.081 6.210 2.976 1.00 0.18 C
  552. ATOM 815 C LEU A 51 0.228 6.969 3.109 1.00 0.18 C
  553. ATOM 816 O LEU A 51 0.745 7.517 2.155 1.00 0.20 O
  554. ATOM 817 CB LEU A 51 -1.267 5.748 1.523 1.00 0.17 C
  555. ATOM 818 CG LEU A 51 -0.106 4.823 1.149 1.00 0.19 C
  556. ATOM 819 CD1 LEU A 51 -0.195 3.543 1.973 1.00 0.21 C
  557. ATOM 820 CD2 LEU A 51 -0.185 4.451 -0.328 1.00 0.18 C
  558. ATOM 832 N GLU A 52 0.760 7.014 4.296 1.00 0.19 N
  559. ATOM 833 CA GLU A 52 2.031 7.743 4.505 1.00 0.21 C
  560. ATOM 834 C GLU A 52 3.158 6.861 3.988 1.00 0.19 C
  561. ATOM 835 O GLU A 52 3.789 6.122 4.721 1.00 0.19 O
  562. ATOM 836 CB GLU A 52 2.213 8.030 5.996 1.00 0.24 C
  563. ATOM 837 CG GLU A 52 3.642 8.508 6.256 1.00 0.30 C
  564. ATOM 838 CD GLU A 52 3.650 9.471 7.444 1.00 0.64 C
  565. ATOM 839 OE1 GLU A 52 2.717 9.420 8.229 1.00 1.28 O
  566. ATOM 840 OE2 GLU A 52 4.588 10.244 7.550 1.00 1.44 O
  567. ATOM 847 N TRP A 53 3.385 6.915 2.708 1.00 0.20 N
  568. ATOM 848 CA TRP A 53 4.436 6.072 2.099 1.00 0.20 C
  569. ATOM 849 C TRP A 53 5.813 6.694 2.321 1.00 0.24 C
  570. ATOM 850 O TRP A 53 6.142 7.720 1.760 1.00 0.38 O
  571. ATOM 851 CB TRP A 53 4.175 5.945 0.603 1.00 0.24 C
  572. ATOM 852 CG TRP A 53 4.807 4.689 0.123 1.00 0.23 C
  573. ATOM 853 CD1 TRP A 53 6.084 4.326 0.376 1.00 0.25 C
  574. ATOM 854 CD2 TRP A 53 4.223 3.620 -0.671 1.00 0.21 C
  575. ATOM 855 NE1 TRP A 53 6.325 3.103 -0.214 1.00 0.26 N
  576. ATOM 856 CE2 TRP A 53 5.210 2.627 -0.872 1.00 0.24 C
  577. ATOM 857 CE3 TRP A 53 2.948 3.416 -1.234 1.00 0.21 C
  578. ATOM 858 CZ2 TRP A 53 4.946 1.474 -1.601 1.00 0.25 C
  579. ATOM 859 CZ3 TRP A 53 2.684 2.251 -1.974 1.00 0.23 C
  580. ATOM 860 CH2 TRP A 53 3.682 1.284 -2.156 1.00 0.25 C
  581. ATOM 871 N ARG A 54 6.627 6.069 3.124 1.00 0.26 N
  582. ATOM 872 CA ARG A 54 7.992 6.607 3.371 1.00 0.35 C
  583. ATOM 873 C ARG A 54 8.988 5.823 2.515 1.00 0.49 C
  584. ATOM 874 O ARG A 54 8.781 4.663 2.219 1.00 1.33 O
  585. ATOM 875 CB ARG A 54 8.346 6.446 4.849 1.00 0.44 C
  586. ATOM 876 CG ARG A 54 8.545 7.825 5.481 1.00 0.88 C
  587. ATOM 877 CD ARG A 54 8.772 7.667 6.985 1.00 1.09 C
  588. ATOM 878 NE ARG A 54 10.009 8.396 7.382 1.00 1.40 N
  589. ATOM 879 CZ ARG A 54 10.254 8.632 8.637 1.00 1.87 C
  590. ATOM 880 NH1 ARG A 54 10.719 7.683 9.399 1.00 2.47 N
  591. ATOM 881 NH2 ARG A 54 10.035 9.816 9.133 1.00 2.46 N
  592. ATOM 895 N GLN A 55 10.062 6.439 2.107 1.00 0.53 N
  593. ATOM 896 CA GLN A 55 11.050 5.709 1.264 1.00 0.46 C
  594. ATOM 897 C GLN A 55 10.308 5.032 0.111 1.00 0.53 C
  595. ATOM 898 O GLN A 55 10.193 3.826 0.056 1.00 1.30 O
  596. ATOM 899 CB GLN A 55 11.759 4.650 2.111 1.00 0.55 C
  597. ATOM 900 CG GLN A 55 13.251 4.974 2.186 1.00 1.05 C
  598. ATOM 901 CD GLN A 55 13.542 5.750 3.472 1.00 1.22 C
  599. ATOM 902 OE1 GLN A 55 12.710 5.822 4.354 1.00 1.82 O
  600. ATOM 903 NE2 GLN A 55 14.698 6.338 3.616 1.00 1.89 N
  601. ATOM 912 N PHE A 56 9.791 5.807 -0.801 1.00 0.64 N
  602. ATOM 913 CA PHE A 56 9.035 5.228 -1.949 1.00 0.57 C
  603. ATOM 914 C PHE A 56 10.002 4.576 -2.944 1.00 0.71 C
  604. ATOM 915 O PHE A 56 10.000 3.374 -3.124 1.00 1.62 O
  605. ATOM 916 CB PHE A 56 8.267 6.356 -2.637 1.00 0.62 C
  606. ATOM 917 CG PHE A 56 7.213 5.805 -3.572 1.00 0.57 C
  607. ATOM 918 CD1 PHE A 56 6.938 4.430 -3.629 1.00 1.37 C
  608. ATOM 919 CD2 PHE A 56 6.504 6.690 -4.386 1.00 1.31 C
  609. ATOM 920 CE1 PHE A 56 5.953 3.951 -4.507 1.00 1.40 C
  610. ATOM 921 CE2 PHE A 56 5.522 6.212 -5.260 1.00 1.40 C
  611. ATOM 922 CZ PHE A 56 5.249 4.842 -5.323 1.00 0.79 C
  612. ATOM 932 N GLU A 57 10.824 5.355 -3.595 1.00 0.67 N
  613. ATOM 933 CA GLU A 57 11.784 4.768 -4.576 1.00 0.65 C
  614. ATOM 934 C GLU A 57 12.637 3.708 -3.882 1.00 0.58 C
  615. ATOM 935 O GLU A 57 13.002 2.709 -4.467 1.00 0.58 O
  616. ATOM 936 CB GLU A 57 12.703 5.861 -5.118 1.00 0.80 C
  617. ATOM 937 CG GLU A 57 11.991 6.634 -6.229 1.00 1.16 C
  618. ATOM 938 CD GLU A 57 12.794 7.891 -6.571 1.00 1.75 C
  619. ATOM 939 OE1 GLU A 57 13.812 8.110 -5.935 1.00 2.34 O
  620. ATOM 940 OE2 GLU A 57 12.378 8.612 -7.462 1.00 2.41 O
  621. ATOM 947 N GLN A 58 12.961 3.924 -2.638 1.00 0.58 N
  622. ATOM 948 CA GLN A 58 13.786 2.942 -1.899 1.00 0.60 C
  623. ATOM 949 C GLN A 58 12.982 1.655 -1.731 1.00 0.53 C
  624. ATOM 950 O GLN A 58 13.524 0.569 -1.730 1.00 0.56 O
  625. ATOM 951 CB GLN A 58 14.158 3.516 -0.530 1.00 0.69 C
  626. ATOM 952 CG GLN A 58 15.064 4.735 -0.723 1.00 0.94 C
  627. ATOM 953 CD GLN A 58 16.526 4.322 -0.542 1.00 1.56 C
  628. ATOM 954 OE1 GLN A 58 16.810 3.268 -0.008 1.00 2.34 O
  629. ATOM 955 NE2 GLN A 58 17.472 5.114 -0.966 1.00 1.94 N
  630. ATOM 964 N SER A 59 11.685 1.773 -1.611 1.00 0.52 N
  631. ATOM 965 CA SER A 59 10.829 0.560 -1.473 1.00 0.52 C
  632. ATOM 966 C SER A 59 10.318 0.172 -2.859 1.00 0.44 C
  633. ATOM 967 O SER A 59 9.371 -0.576 -3.002 1.00 0.48 O
  634. ATOM 968 CB SER A 59 9.639 0.859 -0.562 1.00 0.65 C
  635. ATOM 969 OG SER A 59 9.861 0.266 0.709 1.00 1.39 O
  636. ATOM 975 N LYS A 60 10.954 0.675 -3.881 1.00 0.41 N
  637. ATOM 976 CA LYS A 60 10.532 0.342 -5.266 1.00 0.42 C
  638. ATOM 977 C LYS A 60 11.614 -0.520 -5.922 1.00 0.44 C
  639. ATOM 978 O LYS A 60 11.326 -1.436 -6.666 1.00 0.55 O
  640. ATOM 979 CB LYS A 60 10.356 1.636 -6.062 1.00 0.51 C
  641. ATOM 980 CG LYS A 60 9.518 1.361 -7.311 1.00 1.03 C
  642. ATOM 981 CD LYS A 60 9.317 2.665 -8.084 1.00 1.61 C
  643. ATOM 982 CE LYS A 60 9.529 2.412 -9.575 1.00 2.36 C
  644. ATOM 983 NZ LYS A 60 10.507 3.397 -10.112 1.00 3.11 N
  645. ATOM 997 N GLN A 61 12.860 -0.228 -5.655 1.00 0.51 N
  646. ATOM 998 CA GLN A 61 13.963 -1.020 -6.264 1.00 0.62 C
  647. ATOM 999 C GLN A 61 14.010 -2.425 -5.651 1.00 0.60 C
  648. ATOM 1000 O GLN A 61 13.841 -3.416 -6.332 1.00 0.66 O
  649. ATOM 1001 CB GLN A 61 15.297 -0.315 -6.006 1.00 0.73 C
  650. ATOM 1002 CG GLN A 61 15.326 1.021 -6.751 1.00 1.14 C
  651. ATOM 1003 CD GLN A 61 16.704 1.221 -7.385 1.00 1.66 C
  652. ATOM 1004 OE1 GLN A 61 17.499 0.303 -7.440 1.00 2.16 O
  653. ATOM 1005 NE2 GLN A 61 17.024 2.390 -7.868 1.00 2.39 N
  654. ATOM 1014 N LEU A 62 14.264 -2.497 -4.372 1.00 0.64 N
  655. ATOM 1015 CA LEU A 62 14.358 -3.820 -3.661 1.00 0.71 C
  656. ATOM 1016 C LEU A 62 13.391 -4.833 -4.276 1.00 0.67 C
  657. ATOM 1017 O LEU A 62 13.653 -6.019 -4.302 1.00 0.94 O
  658. ATOM 1018 CB LEU A 62 13.995 -3.678 -2.170 1.00 0.78 C
  659. ATOM 1019 CG LEU A 62 13.609 -2.241 -1.817 1.00 0.78 C
  660. ATOM 1020 CD1 LEU A 62 12.330 -1.844 -2.561 1.00 0.66 C
  661. ATOM 1021 CD2 LEU A 62 13.367 -2.146 -0.310 1.00 0.94 C
  662. ATOM 1033 N THR A 63 12.276 -4.379 -4.770 1.00 0.58 N
  663. ATOM 1034 CA THR A 63 11.298 -5.309 -5.376 1.00 0.70 C
  664. ATOM 1035 C THR A 63 10.933 -4.785 -6.761 1.00 0.81 C
  665. ATOM 1036 O THR A 63 9.802 -4.445 -7.030 1.00 0.89 O
  666. ATOM 1037 CB THR A 63 10.042 -5.450 -4.482 1.00 0.65 C
  667. ATOM 1038 OG1 THR A 63 8.893 -5.599 -5.300 1.00 0.72 O
  668. ATOM 1039 CG2 THR A 63 9.848 -4.231 -3.559 1.00 0.52 C
  669. ATOM 1047 N GLU A 64 11.921 -4.721 -7.629 1.00 0.95 N
  670. ATOM 1048 CA GLU A 64 11.731 -4.227 -9.035 1.00 1.21 C
  671. ATOM 1049 C GLU A 64 10.247 -4.117 -9.389 1.00 1.18 C
  672. ATOM 1050 O GLU A 64 9.570 -5.108 -9.578 1.00 1.53 O
  673. ATOM 1051 CB GLU A 64 12.403 -5.214 -9.993 1.00 1.55 C
  674. ATOM 1052 CG GLU A 64 12.903 -4.472 -11.231 1.00 1.91 C
  675. ATOM 1053 CD GLU A 64 14.052 -5.257 -11.865 1.00 2.44 C
  676. ATOM 1054 OE1 GLU A 64 14.291 -6.373 -11.432 1.00 3.09 O
  677. ATOM 1055 OE2 GLU A 64 14.675 -4.730 -12.771 1.00 2.79 O
  678. ATOM 1062 N ASN A 65 9.732 -2.920 -9.470 1.00 1.70 N
  679. ATOM 1063 CA ASN A 65 8.289 -2.761 -9.802 1.00 1.68 C
  680. ATOM 1064 C ASN A 65 7.456 -3.157 -8.582 1.00 0.85 C
  681. ATOM 1065 O ASN A 65 6.375 -3.697 -8.706 1.00 1.09 O
  682. ATOM 1066 CB ASN A 65 7.944 -3.685 -10.974 1.00 2.27 C
  683. ATOM 1067 CG ASN A 65 6.828 -3.063 -11.814 1.00 2.89 C
  684. ATOM 1068 OD1 ASN A 65 6.854 -1.884 -12.103 1.00 3.24 O
  685. ATOM 1069 ND2 ASN A 65 5.844 -3.815 -12.224 1.00 3.66 N
  686. ATOM 1076 N GLY A 66 7.968 -2.928 -7.401 1.00 0.56 N
  687. ATOM 1077 CA GLY A 66 7.225 -3.330 -6.177 1.00 1.20 C
  688. ATOM 1078 C GLY A 66 6.279 -2.227 -5.680 1.00 0.91 C
  689. ATOM 1079 O GLY A 66 5.073 -2.381 -5.677 1.00 1.26 O
  690. ATOM 1083 N ALA A 67 6.826 -1.155 -5.185 1.00 0.39 N
  691. ATOM 1084 CA ALA A 67 5.996 -0.071 -4.590 1.00 0.46 C
  692. ATOM 1085 C ALA A 67 5.313 0.846 -5.615 1.00 0.34 C
  693. ATOM 1086 O ALA A 67 4.352 1.513 -5.286 1.00 0.53 O
  694. ATOM 1087 CB ALA A 67 6.909 0.777 -3.713 1.00 0.64 C
  695. ATOM 1093 N GLU A 68 5.778 0.935 -6.823 1.00 0.27 N
  696. ATOM 1094 CA GLU A 68 5.129 1.851 -7.769 1.00 0.38 C
  697. ATOM 1095 C GLU A 68 3.751 1.292 -8.176 1.00 0.39 C
  698. ATOM 1096 O GLU A 68 2.884 2.021 -8.617 1.00 0.49 O
  699. ATOM 1097 CB GLU A 68 6.069 2.020 -8.971 1.00 0.51 C
  700. ATOM 1098 CG GLU A 68 5.274 2.020 -10.258 1.00 1.38 C
  701. ATOM 1099 CD GLU A 68 6.148 2.521 -11.410 1.00 1.57 C
  702. ATOM 1100 OE1 GLU A 68 6.989 3.370 -11.165 1.00 1.83 O
  703. ATOM 1101 OE2 GLU A 68 5.961 2.047 -12.518 1.00 2.27 O
  704. ATOM 1108 N SER A 69 3.544 0.011 -8.034 1.00 0.39 N
  705. ATOM 1109 CA SER A 69 2.227 -0.585 -8.417 1.00 0.47 C
  706. ATOM 1110 C SER A 69 1.196 -0.382 -7.297 1.00 0.37 C
  707. ATOM 1111 O SER A 69 0.120 0.157 -7.510 1.00 0.35 O
  708. ATOM 1112 CB SER A 69 2.405 -2.082 -8.669 1.00 0.58 C
  709. ATOM 1113 OG SER A 69 2.127 -2.366 -10.033 1.00 0.90 O
  710. ATOM 1119 N VAL A 70 1.509 -0.818 -6.106 1.00 0.34 N
  711. ATOM 1120 CA VAL A 70 0.544 -0.662 -4.984 1.00 0.27 C
  712. ATOM 1121 C VAL A 70 0.107 0.793 -4.912 1.00 0.20 C
  713. ATOM 1122 O VAL A 70 -1.057 1.098 -4.748 1.00 0.20 O
  714. ATOM 1123 CB VAL A 70 1.215 -1.063 -3.671 1.00 0.31 C
  715. ATOM 1124 CG1 VAL A 70 0.288 -0.737 -2.499 1.00 0.29 C
  716. ATOM 1125 CG2 VAL A 70 1.504 -2.565 -3.687 1.00 0.41 C
  717. ATOM 1135 N LEU A 71 1.033 1.696 -5.048 1.00 0.24 N
  718. ATOM 1136 CA LEU A 71 0.663 3.134 -5.002 1.00 0.23 C
  719. ATOM 1137 C LEU A 71 -0.340 3.411 -6.113 1.00 0.23 C
  720. ATOM 1138 O LEU A 71 -1.335 4.061 -5.909 1.00 0.23 O
  721. ATOM 1139 CB LEU A 71 1.897 3.996 -5.229 1.00 0.30 C
  722. ATOM 1140 CG LEU A 71 1.476 5.464 -5.305 1.00 0.35 C
  723. ATOM 1141 CD1 LEU A 71 1.177 5.986 -3.899 1.00 0.36 C
  724. ATOM 1142 CD2 LEU A 71 2.605 6.290 -5.924 1.00 0.43 C
  725. ATOM 1154 N GLN A 72 -0.083 2.914 -7.289 1.00 0.28 N
  726. ATOM 1155 CA GLN A 72 -1.027 3.138 -8.419 1.00 0.30 C
  727. ATOM 1156 C GLN A 72 -2.417 2.716 -7.977 1.00 0.25 C
  728. ATOM 1157 O GLN A 72 -3.408 3.314 -8.334 1.00 0.25 O
  729. ATOM 1158 CB GLN A 72 -0.583 2.279 -9.617 1.00 0.35 C
  730. ATOM 1159 CG GLN A 72 -1.789 1.868 -10.473 1.00 1.18 C
  731. ATOM 1160 CD GLN A 72 -1.304 1.317 -11.813 1.00 1.42 C
  732. ATOM 1161 OE1 GLN A 72 -1.069 2.064 -12.742 1.00 1.78 O
  733. ATOM 1162 NE2 GLN A 72 -1.144 0.029 -11.955 1.00 1.97 N
  734. ATOM 1171 N VAL A 73 -2.487 1.666 -7.230 1.00 0.23 N
  735. ATOM 1172 CA VAL A 73 -3.797 1.162 -6.774 1.00 0.20 C
  736. ATOM 1173 C VAL A 73 -4.352 2.055 -5.661 1.00 0.16 C
  737. ATOM 1174 O VAL A 73 -5.547 2.201 -5.514 1.00 0.16 O
  738. ATOM 1175 CB VAL A 73 -3.590 -0.254 -6.268 1.00 0.21 C
  739. ATOM 1176 CG1 VAL A 73 -4.840 -0.752 -5.547 1.00 0.20 C
  740. ATOM 1177 CG2 VAL A 73 -3.258 -1.151 -7.468 1.00 0.26 C
  741. ATOM 1187 N PHE A 74 -3.501 2.649 -4.873 1.00 0.15 N
  742. ATOM 1188 CA PHE A 74 -4.001 3.529 -3.773 1.00 0.14 C
  743. ATOM 1189 C PHE A 74 -4.501 4.858 -4.358 1.00 0.16 C
  744. ATOM 1190 O PHE A 74 -5.460 5.440 -3.887 1.00 0.18 O
  745. ATOM 1191 CB PHE A 74 -2.868 3.807 -2.778 1.00 0.14 C
  746. ATOM 1192 CG PHE A 74 -2.926 2.806 -1.651 1.00 0.12 C
  747. ATOM 1193 CD1 PHE A 74 -3.895 2.932 -0.650 1.00 0.16 C
  748. ATOM 1194 CD2 PHE A 74 -2.007 1.751 -1.608 1.00 0.16 C
  749. ATOM 1195 CE1 PHE A 74 -3.946 2.003 0.395 1.00 0.18 C
  750. ATOM 1196 CE2 PHE A 74 -2.058 0.822 -0.563 1.00 0.19 C
  751. ATOM 1197 CZ PHE A 74 -3.027 0.949 0.439 1.00 0.19 C
  752. ATOM 1207 N ARG A 75 -3.859 5.334 -5.388 1.00 0.19 N
  753. ATOM 1208 CA ARG A 75 -4.271 6.610 -6.018 1.00 0.23 C
  754. ATOM 1209 C ARG A 75 -5.453 6.341 -6.929 1.00 0.24 C
  755. ATOM 1210 O ARG A 75 -6.368 7.124 -7.030 1.00 0.33 O
  756. ATOM 1211 CB ARG A 75 -3.119 7.150 -6.851 1.00 0.26 C
  757. ATOM 1212 CG ARG A 75 -1.995 7.625 -5.930 1.00 0.54 C
  758. ATOM 1213 CD ARG A 75 -1.790 9.130 -6.107 1.00 1.28 C
  759. ATOM 1214 NE ARG A 75 -1.186 9.394 -7.445 1.00 1.38 N
  760. ATOM 1215 CZ ARG A 75 -1.177 10.604 -7.930 1.00 1.76 C
  761. ATOM 1216 NH1 ARG A 75 -1.310 11.627 -7.134 1.00 2.43 N
  762. ATOM 1217 NH2 ARG A 75 -1.032 10.790 -9.212 1.00 2.43 N
  763. ATOM 1231 N GLU A 76 -5.429 5.219 -7.581 1.00 0.22 N
  764. ATOM 1232 CA GLU A 76 -6.544 4.838 -8.482 1.00 0.23 C
  765. ATOM 1233 C GLU A 76 -7.787 4.692 -7.616 1.00 0.21 C
  766. ATOM 1234 O GLU A 76 -8.839 5.219 -7.917 1.00 0.23 O
  767. ATOM 1235 CB GLU A 76 -6.206 3.501 -9.129 1.00 0.24 C
  768. ATOM 1236 CG GLU A 76 -5.555 3.723 -10.494 1.00 0.30 C
  769. ATOM 1237 CD GLU A 76 -6.631 4.058 -11.527 1.00 0.89 C
  770. ATOM 1238 OE1 GLU A 76 -7.781 3.734 -11.282 1.00 1.65 O
  771. ATOM 1239 OE2 GLU A 76 -6.286 4.632 -12.547 1.00 1.48 O
  772. ATOM 1246 N ALA A 77 -7.653 4.005 -6.512 1.00 0.18 N
  773. ATOM 1247 CA ALA A 77 -8.796 3.857 -5.591 1.00 0.17 C
  774. ATOM 1248 C ALA A 77 -9.143 5.259 -5.113 1.00 0.19 C
  775. ATOM 1249 O ALA A 77 -10.294 5.632 -5.003 1.00 0.20 O
  776. ATOM 1250 CB ALA A 77 -8.403 2.975 -4.403 1.00 0.17 C
  777. ATOM 1256 N LYS A 78 -8.133 6.059 -4.876 1.00 0.21 N
  778. ATOM 1257 CA LYS A 78 -8.377 7.464 -4.462 1.00 0.24 C
  779. ATOM 1258 C LYS A 78 -9.200 8.121 -5.560 1.00 0.28 C
  780. ATOM 1259 O LYS A 78 -9.990 9.016 -5.336 1.00 0.32 O
  781. ATOM 1260 CB LYS A 78 -7.038 8.187 -4.372 1.00 0.26 C
  782. ATOM 1261 CG LYS A 78 -7.077 9.218 -3.247 1.00 0.32 C
  783. ATOM 1262 CD LYS A 78 -7.173 10.619 -3.855 1.00 0.70 C
  784. ATOM 1263 CE LYS A 78 -7.216 11.663 -2.738 1.00 0.99 C
  785. ATOM 1264 NZ LYS A 78 -6.353 12.821 -3.109 1.00 1.50 N
  786. ATOM 1278 N ALA A 79 -8.984 7.664 -6.756 1.00 0.28 N
  787. ATOM 1279 CA ALA A 79 -9.690 8.204 -7.933 1.00 0.33 C
  788. ATOM 1280 C ALA A 79 -11.110 7.645 -7.972 1.00 0.32 C
  789. ATOM 1281 O ALA A 79 -12.027 8.262 -8.477 1.00 0.38 O
  790. ATOM 1282 CB ALA A 79 -8.920 7.757 -9.173 1.00 0.35 C
  791. ATOM 1288 N GLU A 80 -11.285 6.472 -7.440 1.00 0.28 N
  792. ATOM 1289 CA GLU A 80 -12.620 5.829 -7.425 1.00 0.29 C
  793. ATOM 1290 C GLU A 80 -13.585 6.626 -6.544 1.00 0.37 C
  794. ATOM 1291 O GLU A 80 -14.762 6.332 -6.476 1.00 0.68 O
  795. ATOM 1292 CB GLU A 80 -12.466 4.417 -6.865 1.00 0.32 C
  796. ATOM 1293 CG GLU A 80 -12.076 3.469 -7.995 1.00 0.45 C
  797. ATOM 1294 CD GLU A 80 -13.336 2.876 -8.627 1.00 0.67 C
  798. ATOM 1295 OE1 GLU A 80 -13.927 3.543 -9.460 1.00 1.40 O
  799. ATOM 1296 OE2 GLU A 80 -13.688 1.764 -8.269 1.00 1.30 O
  800. ATOM 1303 N GLY A 81 -13.098 7.621 -5.858 1.00 0.39 N
  801. ATOM 1304 CA GLY A 81 -13.987 8.421 -4.973 1.00 0.45 C
  802. ATOM 1305 C GLY A 81 -13.572 8.186 -3.522 1.00 0.39 C
  803. ATOM 1306 O GLY A 81 -13.963 8.908 -2.626 1.00 0.45 O
  804. ATOM 1310 N CYS A 82 -12.776 7.179 -3.288 1.00 0.41 N
  805. ATOM 1311 CA CYS A 82 -12.322 6.888 -1.905 1.00 0.38 C
  806. ATOM 1312 C CYS A 82 -11.476 8.057 -1.395 1.00 0.38 C
  807. ATOM 1313 O CYS A 82 -10.977 8.854 -2.164 1.00 0.49 O
  808. ATOM 1314 CB CYS A 82 -11.480 5.614 -1.920 1.00 0.39 C
  809. ATOM 1315 SG CYS A 82 -12.566 4.168 -1.820 1.00 0.63 S
  810. ATOM 1321 N ASP A 83 -11.316 8.173 -0.105 1.00 0.32 N
  811. ATOM 1322 CA ASP A 83 -10.510 9.298 0.444 1.00 0.37 C
  812. ATOM 1323 C ASP A 83 -9.188 8.769 1.009 1.00 0.36 C
  813. ATOM 1324 O ASP A 83 -8.935 8.844 2.195 1.00 0.57 O
  814. ATOM 1325 CB ASP A 83 -11.305 9.984 1.553 1.00 0.42 C
  815. ATOM 1326 CG ASP A 83 -10.709 11.364 1.834 1.00 0.53 C
  816. ATOM 1327 OD1 ASP A 83 -9.782 11.437 2.624 1.00 1.11 O
  817. ATOM 1328 OD2 ASP A 83 -11.191 12.324 1.255 1.00 1.30 O
  818. ATOM 1333 N ILE A 84 -8.339 8.244 0.168 1.00 0.33 N
  819. ATOM 1334 CA ILE A 84 -7.028 7.720 0.652 1.00 0.31 C
  820. ATOM 1335 C ILE A 84 -5.965 8.818 0.503 1.00 0.34 C
  821. ATOM 1336 O ILE A 84 -5.289 8.905 -0.503 1.00 0.67 O
  822. ATOM 1337 CB ILE A 84 -6.622 6.513 -0.191 1.00 0.30 C
  823. ATOM 1338 CG1 ILE A 84 -7.546 5.345 0.117 1.00 0.50 C
  824. ATOM 1339 CG2 ILE A 84 -5.182 6.114 0.131 1.00 0.28 C
  825. ATOM 1340 CD1 ILE A 84 -8.049 4.762 -1.198 1.00 0.34 C
  826. ATOM 1352 N THR A 85 -5.813 9.657 1.490 1.00 0.49 N
  827. ATOM 1353 CA THR A 85 -4.796 10.748 1.400 1.00 0.50 C
  828. ATOM 1354 C THR A 85 -3.430 10.156 1.047 1.00 0.47 C
  829. ATOM 1355 O THR A 85 -2.721 9.661 1.897 1.00 0.60 O
  830. ATOM 1356 CB THR A 85 -4.702 11.468 2.749 1.00 0.61 C
  831. ATOM 1357 OG1 THR A 85 -5.862 12.265 2.940 1.00 0.76 O
  832. ATOM 1358 CG2 THR A 85 -3.458 12.361 2.773 1.00 0.55 C
  833. ATOM 1366 N ILE A 86 -3.051 10.211 -0.200 1.00 0.41 N
  834. ATOM 1367 CA ILE A 86 -1.727 9.654 -0.602 1.00 0.40 C
  835. ATOM 1368 C ILE A 86 -0.610 10.583 -0.118 1.00 0.44 C
  836. ATOM 1369 O ILE A 86 -0.489 11.706 -0.564 1.00 0.59 O
  837. ATOM 1370 CB ILE A 86 -1.665 9.540 -2.126 1.00 0.38 C
  838. ATOM 1371 CG1 ILE A 86 -2.821 8.668 -2.620 1.00 0.74 C
  839. ATOM 1372 CG2 ILE A 86 -0.331 8.915 -2.540 1.00 0.93 C
  840. ATOM 1373 CD1 ILE A 86 -2.613 7.223 -2.166 1.00 0.32 C
  841. ATOM 1385 N ILE A 87 0.212 10.123 0.786 1.00 0.39 N
  842. ATOM 1386 CA ILE A 87 1.322 10.982 1.287 1.00 0.44 C
  843. ATOM 1387 C ILE A 87 2.659 10.368 0.860 1.00 0.44 C
  844. ATOM 1388 O ILE A 87 3.132 9.413 1.442 1.00 0.55 O
  845. ATOM 1389 CB ILE A 87 1.247 11.073 2.813 1.00 0.46 C
  846. ATOM 1390 CG1 ILE A 87 0.091 11.995 3.208 1.00 0.57 C
  847. ATOM 1391 CG2 ILE A 87 2.556 11.640 3.362 1.00 0.55 C
  848. ATOM 1392 CD1 ILE A 87 -0.237 11.800 4.689 1.00 0.61 C
  849. ATOM 1404 N LEU A 88 3.259 10.902 -0.170 1.00 0.50 N
  850. ATOM 1405 CA LEU A 88 4.552 10.348 -0.662 1.00 0.52 C
  851. ATOM 1406 C LEU A 88 5.728 11.146 -0.093 1.00 0.56 C
  852. ATOM 1407 O LEU A 88 5.984 12.263 -0.495 1.00 0.80 O
  853. ATOM 1408 CB LEU A 88 4.558 10.413 -2.173 1.00 0.59 C
  854. ATOM 1409 CG LEU A 88 3.653 9.297 -2.669 1.00 0.82 C
  855. ATOM 1410 CD1 LEU A 88 2.691 9.851 -3.697 1.00 0.94 C
  856. ATOM 1411 CD2 LEU A 88 4.496 8.193 -3.286 1.00 1.57 C
  857. ATOM 1423 N SER A 89 6.445 10.581 0.841 1.00 0.55 N
  858. ATOM 1424 CA SER A 89 7.604 11.308 1.435 1.00 0.62 C
  859. ATOM 1425 C SER A 89 8.908 10.659 0.968 1.00 0.85 C
  860. ATOM 1426 O SER A 89 8.935 9.445 0.852 1.00 1.41 O
  861. ATOM 1427 CB SER A 89 7.520 11.241 2.961 1.00 0.87 C
  862. ATOM 1428 OG SER A 89 7.246 12.538 3.473 1.00 1.64 O
  863. ATOM 1429 OXT SER A 89 9.859 11.388 0.735 1.00 1.52 O
  864. TER 1435 SER A 89
  865. MASTER 97 1 0 4 3 0 0 6 1434 1 0 7
  866. END