USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 656 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 89 SER OG : rot 180:sc=-0.00117 USER MOD Set 1.2: A 102 THR OG1 : rot 33:sc= 0.298 USER MOD Set 2.1: A 85 THR OG1 : rot 29:sc= 0.451 USER MOD Set 2.2: A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN :FLIP amide:sc=-0.000482 F(o=-1.1,f=-0.00048) USER MOD Single : A 21 SER OG : rot -77:sc= 1.22 USER MOD Single : A 26 THR OG1 : rot 125:sc= 1.25 USER MOD Single : A 27 SER OG : rot 180:sc= 0.0199 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 87:sc= 1.31 USER MOD Single : A 44 CYS SG : rot 180:sc= -1.26 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 47 THR OG1 : rot 66:sc= 0.382 USER MOD Single : A 48 MET CE :methyl -153:sc= -0.27 (180deg=-1.09) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 171:sc= -0.0119 (180deg=-0.135) USER MOD Single : A 69 TYR OH : rot -15:sc= -0.471 USER MOD Single : A 70 GLN : amide:sc= -0.0245 K(o=-0.024,f=-1.2!) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 80 ASN : amide:sc= -0.0595 K(o=-0.06,f=-1.1) USER MOD Single : A 81 THR OG1 : rot -66:sc= 1.09 USER MOD Single : A 84 LYS NZ :NH3+ 171:sc=-0.00111 (180deg=-0.11) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 HIS : no HD1:sc= -0.0599 X(o=-0.06,f=-0.069) USER MOD Single : A 96 ASN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 100 GLN :FLIP amide:sc= 0.115 F(o=-1.2,f=0.12) USER MOD Single : A 101 LYS NZ :NH3+ 169:sc= -0.0122 (180deg=-0.159) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -171:sc=-0.00845 (180deg=-0.0963) USER MOD ----------------------------------------------------------------- ATOM 257 N GLY A 16 -37.449 12.962 11.042 1.00 0.00 N ATOM 258 CA GLY A 16 -36.878 14.285 11.027 1.00 0.00 C ATOM 259 C GLY A 16 -36.355 14.718 9.673 1.00 0.00 C ATOM 260 O GLY A 16 -36.437 13.979 8.684 1.00 0.00 O ATOM 0 HA2 GLY A 16 -37.633 14.998 11.358 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -36.063 14.325 11.749 1.00 0.00 H new ATOM 264 N GLU A 17 -35.809 15.922 9.649 1.00 0.00 N ATOM 265 CA GLU A 17 -35.264 16.538 8.458 1.00 0.00 C ATOM 266 C GLU A 17 -33.947 15.924 8.063 1.00 0.00 C ATOM 267 O GLU A 17 -33.343 15.164 8.827 1.00 0.00 O ATOM 268 CB GLU A 17 -35.026 18.010 8.702 1.00 0.00 C ATOM 269 CG GLU A 17 -36.269 18.866 8.655 1.00 0.00 C ATOM 270 CD GLU A 17 -36.728 19.116 7.245 1.00 0.00 C ATOM 271 OE1 GLU A 17 -36.088 19.936 6.548 1.00 0.00 O ATOM 272 OE2 GLU A 17 -37.723 18.504 6.824 1.00 0.00 O ATOM 0 H GLU A 17 -35.732 16.510 10.479 1.00 0.00 H new ATOM 0 HA GLU A 17 -35.989 16.382 7.659 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -34.554 18.131 9.677 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -34.319 18.378 7.958 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -37.067 18.378 9.215 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -36.072 19.819 9.146 1.00 0.00 H new ATOM 279 N TRP A 18 -33.519 16.263 6.854 1.00 0.00 N ATOM 280 CA TRP A 18 -32.271 15.807 6.299 1.00 0.00 C ATOM 281 C TRP A 18 -31.109 16.006 7.260 1.00 0.00 C ATOM 282 O TRP A 18 -30.856 17.116 7.739 1.00 0.00 O ATOM 283 CB TRP A 18 -31.977 16.584 5.033 1.00 0.00 C ATOM 284 CG TRP A 18 -32.900 16.291 3.913 1.00 0.00 C ATOM 285 CD1 TRP A 18 -33.851 17.116 3.409 1.00 0.00 C ATOM 286 CD2 TRP A 18 -32.962 15.087 3.154 1.00 0.00 C ATOM 287 NE1 TRP A 18 -34.509 16.500 2.383 1.00 0.00 N ATOM 288 CE2 TRP A 18 -33.979 15.249 2.202 1.00 0.00 C ATOM 289 CE3 TRP A 18 -32.255 13.889 3.190 1.00 0.00 C ATOM 290 CZ2 TRP A 18 -34.311 14.251 1.287 1.00 0.00 C ATOM 291 CZ3 TRP A 18 -32.579 12.897 2.286 1.00 0.00 C ATOM 292 CH2 TRP A 18 -33.599 13.085 1.344 1.00 0.00 C ATOM 0 H TRP A 18 -34.045 16.873 6.228 1.00 0.00 H new ATOM 0 HA TRP A 18 -32.373 14.741 6.098 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -32.021 17.650 5.256 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -30.957 16.367 4.715 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -34.058 18.114 3.767 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -35.271 16.905 1.840 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -31.467 13.738 3.912 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -35.099 14.393 0.562 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -32.038 11.962 2.305 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -33.828 12.292 0.648 1.00 0.00 H new ATOM 303 N GLN A 19 -30.414 14.931 7.525 1.00 0.00 N ATOM 304 CA GLN A 19 -29.236 14.960 8.348 1.00 0.00 C ATOM 305 C GLN A 19 -28.051 14.571 7.489 1.00 0.00 C ATOM 306 O GLN A 19 -28.053 13.508 6.860 1.00 0.00 O ATOM 307 CB GLN A 19 -29.385 14.023 9.554 1.00 0.00 C ATOM 308 CG GLN A 19 -29.797 12.600 9.199 1.00 0.00 C ATOM 309 CD GLN A 19 -29.961 11.712 10.418 1.00 0.00 C ATOM 310 OE1 GLN A 19 -30.336 12.300 11.540 1.00 0.00 O flip ATOM 311 NE2 GLN A 19 -29.752 10.504 10.349 1.00 0.00 N flip ATOM 0 H GLN A 19 -30.652 14.004 7.172 1.00 0.00 H new ATOM 0 HA GLN A 19 -29.084 15.963 8.748 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -28.438 13.990 10.092 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -30.125 14.443 10.236 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -30.736 12.626 8.646 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -29.049 12.165 8.537 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -29.464 10.086 9.464 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -29.867 9.918 11.176 1.00 0.00 H new ATOM 320 N TRP A 20 -27.064 15.431 7.426 1.00 0.00 N ATOM 321 CA TRP A 20 -25.927 15.198 6.567 1.00 0.00 C ATOM 322 C TRP A 20 -24.720 14.720 7.349 1.00 0.00 C ATOM 323 O TRP A 20 -24.379 15.273 8.400 1.00 0.00 O ATOM 324 CB TRP A 20 -25.599 16.463 5.773 1.00 0.00 C ATOM 325 CG TRP A 20 -26.729 16.914 4.901 1.00 0.00 C ATOM 326 CD1 TRP A 20 -27.567 17.952 5.140 1.00 0.00 C ATOM 327 CD2 TRP A 20 -27.151 16.330 3.663 1.00 0.00 C ATOM 328 NE1 TRP A 20 -28.492 18.060 4.130 1.00 0.00 N ATOM 329 CE2 TRP A 20 -28.257 17.073 3.208 1.00 0.00 C ATOM 330 CE3 TRP A 20 -26.700 15.252 2.893 1.00 0.00 C ATOM 331 CZ2 TRP A 20 -28.919 16.773 2.020 1.00 0.00 C ATOM 332 CZ3 TRP A 20 -27.358 14.955 1.714 1.00 0.00 C ATOM 333 CH2 TRP A 20 -28.456 15.713 1.289 1.00 0.00 C ATOM 0 H TRP A 20 -27.024 16.300 7.959 1.00 0.00 H new ATOM 0 HA TRP A 20 -26.191 14.404 5.869 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -25.340 17.264 6.466 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -24.720 16.280 5.154 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -27.515 18.601 6.001 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -29.232 18.760 4.075 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -25.854 14.663 3.214 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -29.766 17.355 1.688 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -27.020 14.125 1.111 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -28.949 15.455 0.363 1.00 0.00 H new ATOM 344 N SER A 21 -24.096 13.683 6.840 1.00 0.00 N ATOM 345 CA SER A 21 -22.908 13.124 7.436 1.00 0.00 C ATOM 346 C SER A 21 -21.673 13.693 6.748 1.00 0.00 C ATOM 347 O SER A 21 -21.783 14.356 5.708 1.00 0.00 O ATOM 348 CB SER A 21 -22.931 11.600 7.319 1.00 0.00 C ATOM 349 OG SER A 21 -23.124 11.199 5.971 1.00 0.00 O ATOM 0 H SER A 21 -24.402 13.201 5.995 1.00 0.00 H new ATOM 0 HA SER A 21 -22.876 13.389 8.493 1.00 0.00 H new ATOM 0 HB2 SER A 21 -21.994 11.188 7.695 1.00 0.00 H new ATOM 0 HB3 SER A 21 -23.729 11.195 7.941 1.00 0.00 H new ATOM 0 HG SER A 21 -24.067 11.312 5.728 1.00 0.00 H new ATOM 355 N VAL A 22 -20.507 13.436 7.308 1.00 0.00 N ATOM 356 CA VAL A 22 -19.295 13.945 6.707 1.00 0.00 C ATOM 357 C VAL A 22 -18.750 12.990 5.649 1.00 0.00 C ATOM 358 O VAL A 22 -18.655 11.775 5.839 1.00 0.00 O ATOM 359 CB VAL A 22 -18.200 14.245 7.765 1.00 0.00 C ATOM 360 CG1 VAL A 22 -18.654 15.356 8.702 1.00 0.00 C ATOM 361 CG2 VAL A 22 -17.842 12.994 8.559 1.00 0.00 C ATOM 0 H VAL A 22 -20.376 12.890 8.159 1.00 0.00 H new ATOM 0 HA VAL A 22 -19.563 14.884 6.223 1.00 0.00 H new ATOM 0 HB VAL A 22 -17.306 14.576 7.236 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -17.874 15.553 9.437 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -18.847 16.261 8.126 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -19.566 15.050 9.214 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -17.073 13.236 9.292 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -18.729 12.623 9.073 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -17.468 12.227 7.881 1.00 0.00 H new ATOM 371 N CYS A 23 -18.459 13.590 4.520 1.00 0.00 N ATOM 372 CA CYS A 23 -18.025 12.896 3.329 1.00 0.00 C ATOM 373 C CYS A 23 -16.552 12.553 3.355 1.00 0.00 C ATOM 374 O CYS A 23 -15.710 13.368 3.747 1.00 0.00 O ATOM 375 CB CYS A 23 -18.324 13.742 2.086 1.00 0.00 C ATOM 376 SG CYS A 23 -17.811 12.974 0.509 1.00 0.00 S ATOM 0 H CYS A 23 -18.519 14.601 4.400 1.00 0.00 H new ATOM 0 HA CYS A 23 -18.581 11.959 3.294 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -19.395 13.943 2.047 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -17.823 14.705 2.187 1.00 0.00 H new ATOM 381 N VAL A 24 -16.256 11.336 2.954 1.00 0.00 N ATOM 382 CA VAL A 24 -14.898 10.911 2.747 1.00 0.00 C ATOM 383 C VAL A 24 -14.640 10.973 1.250 1.00 0.00 C ATOM 384 O VAL A 24 -15.061 10.093 0.511 1.00 0.00 O ATOM 385 CB VAL A 24 -14.654 9.472 3.264 1.00 0.00 C ATOM 386 CG1 VAL A 24 -13.204 9.056 3.043 1.00 0.00 C ATOM 387 CG2 VAL A 24 -15.021 9.366 4.738 1.00 0.00 C ATOM 0 H VAL A 24 -16.954 10.617 2.764 1.00 0.00 H new ATOM 0 HA VAL A 24 -14.222 11.561 3.302 1.00 0.00 H new ATOM 0 HB VAL A 24 -15.293 8.794 2.698 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -13.056 8.042 3.414 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -12.974 9.090 1.978 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -12.544 9.738 3.579 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -14.843 8.348 5.085 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -14.409 10.058 5.316 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -16.074 9.616 4.870 1.00 0.00 H new ATOM 397 N PRO A 25 -13.965 12.037 0.782 1.00 0.00 N ATOM 398 CA PRO A 25 -13.760 12.281 -0.652 1.00 0.00 C ATOM 399 C PRO A 25 -12.715 11.370 -1.275 1.00 0.00 C ATOM 400 O PRO A 25 -12.395 11.509 -2.450 1.00 0.00 O ATOM 401 CB PRO A 25 -13.287 13.734 -0.690 1.00 0.00 C ATOM 402 CG PRO A 25 -12.595 13.934 0.612 1.00 0.00 C ATOM 403 CD PRO A 25 -13.336 13.087 1.614 1.00 0.00 C ATOM 0 HA PRO A 25 -14.667 12.085 -1.225 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -12.614 13.911 -1.529 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -14.125 14.422 -0.804 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -11.549 13.635 0.547 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -12.609 14.984 0.903 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -12.661 12.660 2.356 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -14.081 13.668 2.158 1.00 0.00 H new ATOM 411 N THR A 26 -12.152 10.481 -0.464 1.00 0.00 N ATOM 412 CA THR A 26 -11.140 9.532 -0.913 1.00 0.00 C ATOM 413 C THR A 26 -9.762 10.200 -0.971 1.00 0.00 C ATOM 414 O THR A 26 -8.751 9.590 -0.610 1.00 0.00 O ATOM 415 CB THR A 26 -11.492 8.888 -2.279 1.00 0.00 C ATOM 416 OG1 THR A 26 -12.580 7.969 -2.112 1.00 0.00 O ATOM 417 CG2 THR A 26 -10.292 8.168 -2.873 1.00 0.00 C ATOM 0 H THR A 26 -12.385 10.398 0.526 1.00 0.00 H new ATOM 0 HA THR A 26 -11.114 8.726 -0.180 1.00 0.00 H new ATOM 0 HB THR A 26 -11.784 9.681 -2.967 1.00 0.00 H new ATOM 0 HG1 THR A 26 -13.304 8.204 -2.729 1.00 0.00 H new ATOM 0 HG21 THR A 26 -10.570 7.727 -3.830 1.00 0.00 H new ATOM 0 HG22 THR A 26 -9.479 8.878 -3.023 1.00 0.00 H new ATOM 0 HG23 THR A 26 -9.966 7.382 -2.192 1.00 0.00 H new ATOM 425 N SER A 27 -9.749 11.464 -1.421 1.00 0.00 N ATOM 426 CA SER A 27 -8.544 12.283 -1.480 1.00 0.00 C ATOM 427 C SER A 27 -7.634 11.867 -2.644 1.00 0.00 C ATOM 428 O SER A 27 -7.955 10.945 -3.405 1.00 0.00 O ATOM 429 CB SER A 27 -7.802 12.216 -0.141 1.00 0.00 C ATOM 430 OG SER A 27 -6.776 13.190 -0.054 1.00 0.00 O ATOM 0 H SER A 27 -10.585 11.944 -1.755 1.00 0.00 H new ATOM 0 HA SER A 27 -8.839 13.316 -1.664 1.00 0.00 H new ATOM 0 HB2 SER A 27 -8.511 12.362 0.674 1.00 0.00 H new ATOM 0 HB3 SER A 27 -7.371 11.223 -0.014 1.00 0.00 H new ATOM 0 HG SER A 27 -6.328 13.116 0.814 1.00 0.00 H new ATOM 436 N GLY A 28 -6.515 12.563 -2.784 1.00 0.00 N ATOM 437 CA GLY A 28 -5.583 12.275 -3.853 1.00 0.00 C ATOM 438 C GLY A 28 -5.712 13.254 -4.996 1.00 0.00 C ATOM 439 O GLY A 28 -5.113 13.063 -6.054 1.00 0.00 O ATOM 0 H GLY A 28 -6.235 13.328 -2.170 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -4.565 12.304 -3.464 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.755 11.263 -4.221 1.00 0.00 H new ATOM 443 N ASP A 29 -6.518 14.303 -4.780 1.00 0.00 N ATOM 444 CA ASP A 29 -6.768 15.359 -5.785 1.00 0.00 C ATOM 445 C ASP A 29 -7.473 14.805 -7.016 1.00 0.00 C ATOM 446 O ASP A 29 -7.633 15.505 -8.018 1.00 0.00 O ATOM 447 CB ASP A 29 -5.468 16.059 -6.206 1.00 0.00 C ATOM 448 CG ASP A 29 -4.818 16.830 -5.083 1.00 0.00 C ATOM 449 OD1 ASP A 29 -5.450 17.762 -4.552 1.00 0.00 O ATOM 450 OD2 ASP A 29 -3.651 16.524 -4.738 1.00 0.00 O ATOM 0 H ASP A 29 -7.018 14.448 -3.903 1.00 0.00 H new ATOM 0 HA ASP A 29 -7.420 16.092 -5.310 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -4.766 15.314 -6.580 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.680 16.740 -7.031 1.00 0.00 H new ATOM 455 N CYS A 30 -7.926 13.564 -6.914 1.00 0.00 N ATOM 456 CA CYS A 30 -8.566 12.857 -8.023 1.00 0.00 C ATOM 457 C CYS A 30 -9.410 11.712 -7.473 1.00 0.00 C ATOM 458 O CYS A 30 -9.604 10.692 -8.137 1.00 0.00 O ATOM 459 CB CYS A 30 -7.499 12.267 -8.972 1.00 0.00 C ATOM 460 SG CYS A 30 -6.279 13.460 -9.636 1.00 0.00 S ATOM 0 H CYS A 30 -7.862 13.013 -6.058 1.00 0.00 H new ATOM 0 HA CYS A 30 -9.190 13.562 -8.571 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -6.960 11.483 -8.440 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -8.008 11.792 -9.810 1.00 0.00 H new ATOM 465 N GLY A 31 -9.935 11.891 -6.275 1.00 0.00 N ATOM 466 CA GLY A 31 -10.652 10.816 -5.637 1.00 0.00 C ATOM 467 C GLY A 31 -12.138 11.049 -5.561 1.00 0.00 C ATOM 468 O GLY A 31 -12.590 12.163 -5.329 1.00 0.00 O ATOM 0 H GLY A 31 -9.878 12.756 -5.737 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -10.464 9.891 -6.182 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.262 10.677 -4.629 1.00 0.00 H new ATOM 472 N LEU A 32 -12.894 9.995 -5.787 1.00 0.00 N ATOM 473 CA LEU A 32 -14.335 10.046 -5.682 1.00 0.00 C ATOM 474 C LEU A 32 -14.758 9.451 -4.338 1.00 0.00 C ATOM 475 O LEU A 32 -14.375 8.325 -4.008 1.00 0.00 O ATOM 476 CB LEU A 32 -14.971 9.268 -6.842 1.00 0.00 C ATOM 477 CG LEU A 32 -16.500 9.325 -6.947 1.00 0.00 C ATOM 478 CD1 LEU A 32 -16.973 10.745 -7.191 1.00 0.00 C ATOM 479 CD2 LEU A 32 -16.987 8.411 -8.059 1.00 0.00 C ATOM 0 H LEU A 32 -12.526 9.080 -6.048 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.675 11.080 -5.738 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -14.551 9.643 -7.775 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -14.674 8.223 -6.756 1.00 0.00 H new ATOM 0 HG LEU A 32 -16.919 8.983 -6.000 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -18.061 10.759 -7.262 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -16.655 11.381 -6.365 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -16.544 11.117 -8.122 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -18.074 8.462 -8.122 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -16.553 8.729 -9.007 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -16.683 7.386 -7.847 1.00 0.00 H new ATOM 491 N GLY A 33 -15.542 10.188 -3.580 1.00 0.00 N ATOM 492 CA GLY A 33 -15.963 9.722 -2.266 1.00 0.00 C ATOM 493 C GLY A 33 -17.467 9.778 -2.149 1.00 0.00 C ATOM 494 O GLY A 33 -18.136 10.076 -3.138 1.00 0.00 O ATOM 0 H GLY A 33 -15.901 11.106 -3.844 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.617 8.701 -2.106 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -15.508 10.338 -1.491 1.00 0.00 H new ATOM 498 N THR A 34 -18.030 9.515 -0.974 1.00 0.00 N ATOM 499 CA THR A 34 -19.482 9.539 -0.841 1.00 0.00 C ATOM 500 C THR A 34 -19.954 10.237 0.438 1.00 0.00 C ATOM 501 O THR A 34 -19.244 10.278 1.453 1.00 0.00 O ATOM 502 CB THR A 34 -20.065 8.113 -0.872 1.00 0.00 C ATOM 503 OG1 THR A 34 -19.170 7.206 -0.210 1.00 0.00 O ATOM 504 CG2 THR A 34 -20.311 7.651 -2.297 1.00 0.00 C ATOM 0 H THR A 34 -17.519 9.288 -0.121 1.00 0.00 H new ATOM 0 HA THR A 34 -19.846 10.112 -1.694 1.00 0.00 H new ATOM 0 HB THR A 34 -21.022 8.125 -0.350 1.00 0.00 H new ATOM 0 HG1 THR A 34 -19.546 6.301 -0.231 1.00 0.00 H new ATOM 0 HG21 THR A 34 -20.722 6.642 -2.286 1.00 0.00 H new ATOM 0 HG22 THR A 34 -21.017 8.325 -2.781 1.00 0.00 H new ATOM 0 HG23 THR A 34 -19.370 7.654 -2.848 1.00 0.00 H new ATOM 512 N ARG A 35 -21.162 10.772 0.364 1.00 0.00 N ATOM 513 CA ARG A 35 -21.819 11.427 1.478 1.00 0.00 C ATOM 514 C ARG A 35 -23.230 10.884 1.595 1.00 0.00 C ATOM 515 O ARG A 35 -23.911 10.704 0.587 1.00 0.00 O ATOM 516 CB ARG A 35 -21.864 12.941 1.241 1.00 0.00 C ATOM 517 CG ARG A 35 -22.512 13.732 2.369 1.00 0.00 C ATOM 518 CD ARG A 35 -22.508 15.225 2.074 1.00 0.00 C ATOM 519 NE ARG A 35 -21.152 15.789 2.080 1.00 0.00 N ATOM 520 CZ ARG A 35 -20.609 16.480 1.067 1.00 0.00 C ATOM 521 NH1 ARG A 35 -21.287 16.672 -0.059 1.00 0.00 N ATOM 522 NH2 ARG A 35 -19.385 16.980 1.185 1.00 0.00 N ATOM 0 H ARG A 35 -21.722 10.762 -0.489 1.00 0.00 H new ATOM 0 HA ARG A 35 -21.268 11.234 2.398 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -20.847 13.305 1.095 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -22.408 13.136 0.317 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -23.537 13.391 2.512 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -21.980 13.542 3.301 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -22.969 15.403 1.102 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -23.118 15.742 2.815 1.00 0.00 H new ATOM 0 HE ARG A 35 -20.583 15.645 2.914 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -22.229 16.293 -0.158 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -20.866 17.199 -0.824 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -18.857 16.839 2.046 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -18.972 17.505 0.414 1.00 0.00 H new ATOM 536 N GLU A 36 -23.678 10.624 2.804 1.00 0.00 N ATOM 537 CA GLU A 36 -25.002 10.071 3.021 1.00 0.00 C ATOM 538 C GLU A 36 -25.882 11.047 3.776 1.00 0.00 C ATOM 539 O GLU A 36 -25.473 11.601 4.803 1.00 0.00 O ATOM 540 CB GLU A 36 -24.910 8.768 3.800 1.00 0.00 C ATOM 541 CG GLU A 36 -24.081 7.702 3.121 1.00 0.00 C ATOM 542 CD GLU A 36 -24.007 6.442 3.937 1.00 0.00 C ATOM 543 OE1 GLU A 36 -23.078 6.317 4.754 1.00 0.00 O ATOM 544 OE2 GLU A 36 -24.887 5.571 3.769 1.00 0.00 O ATOM 0 H GLU A 36 -23.144 10.787 3.657 1.00 0.00 H new ATOM 0 HA GLU A 36 -25.447 9.880 2.044 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -24.485 8.973 4.782 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -25.916 8.382 3.963 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -24.509 7.477 2.144 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -23.074 8.081 2.948 1.00 0.00 H new ATOM 551 N GLY A 37 -27.071 11.276 3.267 1.00 0.00 N ATOM 552 CA GLY A 37 -28.008 12.134 3.934 1.00 0.00 C ATOM 553 C GLY A 37 -29.317 11.409 4.083 1.00 0.00 C ATOM 554 O GLY A 37 -29.778 10.773 3.133 1.00 0.00 O ATOM 0 H GLY A 37 -27.407 10.876 2.391 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -27.624 12.422 4.913 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -28.149 13.052 3.364 1.00 0.00 H new ATOM 558 N THR A 38 -29.933 11.484 5.237 1.00 0.00 N ATOM 559 CA THR A 38 -31.146 10.751 5.485 1.00 0.00 C ATOM 560 C THR A 38 -32.220 11.676 6.035 1.00 0.00 C ATOM 561 O THR A 38 -31.919 12.659 6.716 1.00 0.00 O ATOM 562 CB THR A 38 -30.890 9.592 6.487 1.00 0.00 C ATOM 563 OG1 THR A 38 -29.793 8.792 6.026 1.00 0.00 O ATOM 564 CG2 THR A 38 -32.121 8.708 6.639 1.00 0.00 C ATOM 0 H THR A 38 -29.611 12.049 6.022 1.00 0.00 H new ATOM 0 HA THR A 38 -31.488 10.330 4.539 1.00 0.00 H new ATOM 0 HB THR A 38 -30.657 10.031 7.457 1.00 0.00 H new ATOM 0 HG1 THR A 38 -29.631 8.062 6.660 1.00 0.00 H new ATOM 0 HG21 THR A 38 -31.908 7.907 7.347 1.00 0.00 H new ATOM 0 HG22 THR A 38 -32.955 9.306 7.007 1.00 0.00 H new ATOM 0 HG23 THR A 38 -32.382 8.278 5.672 1.00 0.00 H new ATOM 572 N ARG A 39 -33.452 11.371 5.718 1.00 0.00 N ATOM 573 CA ARG A 39 -34.592 12.115 6.176 1.00 0.00 C ATOM 574 C ARG A 39 -35.694 11.124 6.451 1.00 0.00 C ATOM 575 O ARG A 39 -35.615 9.984 6.008 1.00 0.00 O ATOM 576 CB ARG A 39 -35.041 13.119 5.098 1.00 0.00 C ATOM 577 CG ARG A 39 -36.321 13.879 5.424 1.00 0.00 C ATOM 578 CD ARG A 39 -36.722 14.801 4.291 1.00 0.00 C ATOM 579 NE ARG A 39 -38.028 15.421 4.515 1.00 0.00 N ATOM 580 CZ ARG A 39 -38.314 16.700 4.251 1.00 0.00 C ATOM 581 NH1 ARG A 39 -37.370 17.523 3.795 1.00 0.00 N ATOM 582 NH2 ARG A 39 -39.543 17.153 4.443 1.00 0.00 N ATOM 0 H ARG A 39 -33.694 10.580 5.121 1.00 0.00 H new ATOM 0 HA ARG A 39 -34.346 12.678 7.076 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -34.239 13.839 4.936 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -35.183 12.583 4.159 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -37.126 13.171 5.621 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -36.178 14.461 6.335 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -35.968 15.579 4.175 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -36.745 14.238 3.358 1.00 0.00 H new ATOM 0 HE ARG A 39 -38.771 14.837 4.899 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -36.422 17.178 3.645 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -37.596 18.498 3.596 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -40.269 16.527 4.791 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -39.764 18.128 4.242 1.00 0.00 H new ATOM 596 N THR A 40 -36.679 11.520 7.200 1.00 0.00 N ATOM 597 CA THR A 40 -37.821 10.691 7.441 1.00 0.00 C ATOM 598 C THR A 40 -39.064 11.552 7.485 1.00 0.00 C ATOM 599 O THR A 40 -39.018 12.695 7.940 1.00 0.00 O ATOM 600 CB THR A 40 -37.671 9.894 8.749 1.00 0.00 C ATOM 601 OG1 THR A 40 -36.806 10.605 9.649 1.00 0.00 O ATOM 602 CG2 THR A 40 -37.100 8.507 8.480 1.00 0.00 C ATOM 0 H THR A 40 -36.713 12.429 7.662 1.00 0.00 H new ATOM 0 HA THR A 40 -37.905 9.970 6.628 1.00 0.00 H new ATOM 0 HB THR A 40 -38.658 9.779 9.198 1.00 0.00 H new ATOM 0 HG1 THR A 40 -37.334 11.241 10.176 1.00 0.00 H new ATOM 0 HG21 THR A 40 -37.004 7.964 9.420 1.00 0.00 H new ATOM 0 HG22 THR A 40 -37.768 7.962 7.813 1.00 0.00 H new ATOM 0 HG23 THR A 40 -36.119 8.601 8.014 1.00 0.00 H new ATOM 610 N GLY A 41 -40.161 11.021 7.005 1.00 0.00 N ATOM 611 CA GLY A 41 -41.381 11.781 6.987 1.00 0.00 C ATOM 612 C GLY A 41 -42.308 11.390 8.101 1.00 0.00 C ATOM 613 O GLY A 41 -41.879 10.809 9.099 1.00 0.00 O ATOM 0 H GLY A 41 -40.233 10.077 6.626 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -41.147 12.843 7.067 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -41.883 11.636 6.031 1.00 0.00 H new ATOM 617 N ALA A 42 -43.579 11.687 7.925 1.00 0.00 N ATOM 618 CA ALA A 42 -44.580 11.365 8.922 1.00 0.00 C ATOM 619 C ALA A 42 -44.747 9.859 9.035 1.00 0.00 C ATOM 620 O ALA A 42 -45.037 9.330 10.106 1.00 0.00 O ATOM 621 CB ALA A 42 -45.902 12.022 8.571 1.00 0.00 C ATOM 0 H ALA A 42 -43.945 12.154 7.095 1.00 0.00 H new ATOM 0 HA ALA A 42 -44.248 11.749 9.887 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -46.645 11.772 9.328 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -45.772 13.104 8.533 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -46.240 11.663 7.599 1.00 0.00 H new ATOM 627 N GLU A 43 -44.545 9.173 7.919 1.00 0.00 N ATOM 628 CA GLU A 43 -44.644 7.724 7.873 1.00 0.00 C ATOM 629 C GLU A 43 -43.295 7.077 8.184 1.00 0.00 C ATOM 630 O GLU A 43 -43.187 5.856 8.195 1.00 0.00 O ATOM 631 CB GLU A 43 -45.096 7.273 6.478 1.00 0.00 C ATOM 632 CG GLU A 43 -46.316 8.003 5.935 1.00 0.00 C ATOM 633 CD GLU A 43 -47.552 7.787 6.768 1.00 0.00 C ATOM 634 OE1 GLU A 43 -48.043 6.642 6.824 1.00 0.00 O ATOM 635 OE2 GLU A 43 -48.057 8.768 7.352 1.00 0.00 O ATOM 0 H GLU A 43 -44.309 9.604 7.025 1.00 0.00 H new ATOM 0 HA GLU A 43 -45.373 7.413 8.622 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -44.269 7.410 5.782 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -45.313 6.205 6.509 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -46.101 9.070 5.885 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -46.509 7.668 4.916 1.00 0.00 H new ATOM 642 N CYS A 44 -42.286 7.913 8.490 1.00 0.00 N ATOM 643 CA CYS A 44 -40.897 7.452 8.695 1.00 0.00 C ATOM 644 C CYS A 44 -40.502 6.294 7.764 1.00 0.00 C ATOM 645 O CYS A 44 -40.140 5.210 8.224 1.00 0.00 O ATOM 646 CB CYS A 44 -40.648 7.084 10.165 1.00 0.00 C ATOM 647 SG CYS A 44 -39.721 8.355 11.106 1.00 0.00 S ATOM 0 H CYS A 44 -42.407 8.920 8.602 1.00 0.00 H new ATOM 0 HA CYS A 44 -40.254 8.292 8.432 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -41.607 6.913 10.653 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -40.098 6.144 10.205 1.00 0.00 H new ATOM 0 HG CYS A 44 -39.562 7.957 12.333 1.00 0.00 H new ATOM 652 N LYS A 45 -40.576 6.531 6.458 1.00 0.00 N ATOM 653 CA LYS A 45 -40.226 5.515 5.478 1.00 0.00 C ATOM 654 C LYS A 45 -39.234 6.060 4.463 1.00 0.00 C ATOM 655 O LYS A 45 -39.342 7.210 4.050 1.00 0.00 O ATOM 656 CB LYS A 45 -41.476 4.987 4.759 1.00 0.00 C ATOM 657 CG LYS A 45 -42.434 4.203 5.650 1.00 0.00 C ATOM 658 CD LYS A 45 -41.769 2.963 6.233 1.00 0.00 C ATOM 659 CE LYS A 45 -42.738 2.162 7.090 1.00 0.00 C ATOM 660 NZ LYS A 45 -42.099 0.950 7.672 1.00 0.00 N ATOM 0 H LYS A 45 -40.876 7.419 6.056 1.00 0.00 H new ATOM 0 HA LYS A 45 -39.760 4.688 6.014 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -42.012 5.830 4.323 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -41.162 4.348 3.934 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -42.785 4.843 6.459 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -43.311 3.909 5.073 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -41.393 2.336 5.424 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -40.909 3.258 6.834 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -43.117 2.793 7.894 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -43.595 1.865 6.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -42.794 0.434 8.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -41.759 0.335 6.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -41.296 1.234 8.269 1.00 0.00 H new ATOM 674 N GLN A 46 -38.307 5.190 4.047 1.00 0.00 N ATOM 675 CA GLN A 46 -37.225 5.510 3.095 1.00 0.00 C ATOM 676 C GLN A 46 -36.659 6.942 3.248 1.00 0.00 C ATOM 677 O GLN A 46 -35.975 7.241 4.232 1.00 0.00 O ATOM 678 CB GLN A 46 -37.636 5.201 1.630 1.00 0.00 C ATOM 679 CG GLN A 46 -38.999 5.755 1.204 1.00 0.00 C ATOM 680 CD GLN A 46 -39.304 5.493 -0.258 1.00 0.00 C ATOM 681 OE1 GLN A 46 -38.400 5.397 -1.083 1.00 0.00 O ATOM 682 NE2 GLN A 46 -40.574 5.394 -0.588 1.00 0.00 N ATOM 0 H GLN A 46 -38.283 4.222 4.367 1.00 0.00 H new ATOM 0 HA GLN A 46 -36.401 4.846 3.356 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -36.874 5.604 0.963 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -37.642 4.120 1.492 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -39.778 5.306 1.820 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -39.025 6.829 1.390 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -41.295 5.480 0.128 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -40.837 5.232 -1.560 1.00 0.00 H new ATOM 691 N THR A 47 -36.965 7.813 2.270 1.00 0.00 N ATOM 692 CA THR A 47 -36.504 9.212 2.242 1.00 0.00 C ATOM 693 C THR A 47 -35.011 9.362 2.556 1.00 0.00 C ATOM 694 O THR A 47 -34.598 10.241 3.311 1.00 0.00 O ATOM 695 CB THR A 47 -37.340 10.133 3.158 1.00 0.00 C ATOM 696 OG1 THR A 47 -37.668 9.478 4.389 1.00 0.00 O ATOM 697 CG2 THR A 47 -38.615 10.582 2.460 1.00 0.00 C ATOM 0 H THR A 47 -37.545 7.563 1.469 1.00 0.00 H new ATOM 0 HA THR A 47 -36.655 9.534 1.212 1.00 0.00 H new ATOM 0 HB THR A 47 -36.732 11.010 3.381 1.00 0.00 H new ATOM 0 HG1 THR A 47 -36.849 9.321 4.904 1.00 0.00 H new ATOM 0 HG21 THR A 47 -39.186 11.229 3.126 1.00 0.00 H new ATOM 0 HG22 THR A 47 -38.360 11.129 1.553 1.00 0.00 H new ATOM 0 HG23 THR A 47 -39.214 9.709 2.201 1.00 0.00 H new ATOM 705 N MET A 48 -34.217 8.524 1.942 1.00 0.00 N ATOM 706 CA MET A 48 -32.777 8.532 2.128 1.00 0.00 C ATOM 707 C MET A 48 -32.083 8.652 0.778 1.00 0.00 C ATOM 708 O MET A 48 -32.491 8.012 -0.199 1.00 0.00 O ATOM 709 CB MET A 48 -32.331 7.257 2.871 1.00 0.00 C ATOM 710 CG MET A 48 -30.818 7.112 3.069 1.00 0.00 C ATOM 711 SD MET A 48 -29.962 6.453 1.615 1.00 0.00 S ATOM 712 CE MET A 48 -30.724 4.835 1.474 1.00 0.00 C ATOM 0 H MET A 48 -34.547 7.809 1.293 1.00 0.00 H new ATOM 0 HA MET A 48 -32.496 9.392 2.736 1.00 0.00 H new ATOM 0 HB2 MET A 48 -32.813 7.238 3.849 1.00 0.00 H new ATOM 0 HB3 MET A 48 -32.694 6.389 2.320 1.00 0.00 H new ATOM 0 HG2 MET A 48 -30.397 8.086 3.319 1.00 0.00 H new ATOM 0 HG3 MET A 48 -30.632 6.456 3.919 1.00 0.00 H new ATOM 0 HE1 MET A 48 -30.032 4.148 0.987 1.00 0.00 H new ATOM 0 HE2 MET A 48 -30.968 4.460 2.468 1.00 0.00 H new ATOM 0 HE3 MET A 48 -31.636 4.913 0.881 1.00 0.00 H new ATOM 722 N LYS A 49 -31.040 9.463 0.723 1.00 0.00 N ATOM 723 CA LYS A 49 -30.306 9.694 -0.514 1.00 0.00 C ATOM 724 C LYS A 49 -28.823 9.665 -0.257 1.00 0.00 C ATOM 725 O LYS A 49 -28.349 10.128 0.784 1.00 0.00 O ATOM 726 CB LYS A 49 -30.674 11.039 -1.134 1.00 0.00 C ATOM 727 CG LYS A 49 -32.142 11.203 -1.449 1.00 0.00 C ATOM 728 CD LYS A 49 -32.596 10.313 -2.597 1.00 0.00 C ATOM 729 CE LYS A 49 -34.074 10.535 -2.893 1.00 0.00 C ATOM 730 NZ LYS A 49 -34.552 9.731 -4.044 1.00 0.00 N ATOM 0 H LYS A 49 -30.679 9.977 1.526 1.00 0.00 H new ATOM 0 HA LYS A 49 -30.578 8.898 -1.208 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -30.371 11.834 -0.453 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -30.101 11.170 -2.052 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -32.729 10.971 -0.560 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -32.342 12.245 -1.700 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -32.005 10.528 -3.487 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -32.423 9.267 -2.344 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -34.660 10.282 -2.009 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -34.245 11.592 -3.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -35.562 9.919 -4.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -34.014 9.990 -4.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -34.415 8.720 -3.842 1.00 0.00 H new ATOM 744 N THR A 50 -28.093 9.142 -1.192 1.00 0.00 N ATOM 745 CA THR A 50 -26.665 9.056 -1.102 1.00 0.00 C ATOM 746 C THR A 50 -26.039 9.870 -2.223 1.00 0.00 C ATOM 747 O THR A 50 -26.517 9.843 -3.363 1.00 0.00 O ATOM 748 CB THR A 50 -26.194 7.598 -1.186 1.00 0.00 C ATOM 749 OG1 THR A 50 -26.859 6.936 -2.269 1.00 0.00 O ATOM 750 CG2 THR A 50 -26.481 6.865 0.115 1.00 0.00 C ATOM 0 H THR A 50 -28.477 8.756 -2.054 1.00 0.00 H new ATOM 0 HA THR A 50 -26.352 9.456 -0.138 1.00 0.00 H new ATOM 0 HB THR A 50 -25.118 7.591 -1.359 1.00 0.00 H new ATOM 0 HG1 THR A 50 -26.554 6.006 -2.320 1.00 0.00 H new ATOM 0 HG21 THR A 50 -26.139 5.833 0.034 1.00 0.00 H new ATOM 0 HG22 THR A 50 -25.957 7.358 0.934 1.00 0.00 H new ATOM 0 HG23 THR A 50 -27.553 6.878 0.311 1.00 0.00 H new ATOM 758 N GLN A 51 -25.001 10.606 -1.906 1.00 0.00 N ATOM 759 CA GLN A 51 -24.360 11.467 -2.879 1.00 0.00 C ATOM 760 C GLN A 51 -22.898 11.094 -3.010 1.00 0.00 C ATOM 761 O GLN A 51 -22.299 10.581 -2.070 1.00 0.00 O ATOM 762 CB GLN A 51 -24.465 12.935 -2.441 1.00 0.00 C ATOM 763 CG GLN A 51 -25.868 13.379 -2.047 1.00 0.00 C ATOM 764 CD GLN A 51 -26.864 13.272 -3.182 1.00 0.00 C ATOM 765 OE1 GLN A 51 -26.509 13.400 -4.353 1.00 0.00 O ATOM 766 NE2 GLN A 51 -28.116 13.048 -2.843 1.00 0.00 N ATOM 0 H GLN A 51 -24.578 10.628 -0.978 1.00 0.00 H new ATOM 0 HA GLN A 51 -24.861 11.340 -3.839 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -23.796 13.097 -1.596 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -24.112 13.569 -3.254 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -26.213 12.772 -1.210 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -25.832 14.411 -1.699 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -28.368 12.948 -1.860 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -28.834 12.974 -3.564 1.00 0.00 H new ATOM 775 N ARG A 52 -22.331 11.334 -4.167 1.00 0.00 N ATOM 776 CA ARG A 52 -20.925 11.088 -4.378 1.00 0.00 C ATOM 777 C ARG A 52 -20.195 12.395 -4.465 1.00 0.00 C ATOM 778 O ARG A 52 -20.574 13.274 -5.246 1.00 0.00 O ATOM 779 CB ARG A 52 -20.692 10.288 -5.647 1.00 0.00 C ATOM 780 CG ARG A 52 -21.281 8.901 -5.613 1.00 0.00 C ATOM 781 CD ARG A 52 -20.844 8.109 -6.814 1.00 0.00 C ATOM 782 NE ARG A 52 -21.406 8.636 -8.060 1.00 0.00 N ATOM 783 CZ ARG A 52 -21.093 8.190 -9.279 1.00 0.00 C ATOM 784 NH1 ARG A 52 -20.210 7.205 -9.425 1.00 0.00 N ATOM 785 NH2 ARG A 52 -21.668 8.726 -10.352 1.00 0.00 N ATOM 0 H ARG A 52 -22.824 11.701 -4.981 1.00 0.00 H new ATOM 0 HA ARG A 52 -20.549 10.508 -3.536 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -21.117 10.832 -6.491 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -19.619 10.212 -5.825 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -20.970 8.391 -4.702 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -22.369 8.963 -5.588 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -19.756 8.118 -6.876 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -21.148 7.069 -6.692 1.00 0.00 H new ATOM 0 HE ARG A 52 -22.083 9.396 -7.992 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -19.770 6.789 -8.604 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -19.973 6.867 -10.358 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -22.348 9.478 -10.244 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -21.428 8.385 -11.283 1.00 0.00 H new ATOM 799 N CYS A 53 -19.168 12.549 -3.671 1.00 0.00 N ATOM 800 CA CYS A 53 -18.416 13.779 -3.690 1.00 0.00 C ATOM 801 C CYS A 53 -17.347 13.610 -4.747 1.00 0.00 C ATOM 802 O CYS A 53 -16.573 12.652 -4.692 1.00 0.00 O ATOM 803 CB CYS A 53 -17.763 14.034 -2.329 1.00 0.00 C ATOM 804 SG CYS A 53 -18.902 13.941 -0.907 1.00 0.00 S ATOM 0 H CYS A 53 -18.835 11.848 -3.010 1.00 0.00 H new ATOM 0 HA CYS A 53 -19.066 14.627 -3.906 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -16.962 13.309 -2.184 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -17.300 15.021 -2.343 1.00 0.00 H new ATOM 809 N LYS A 54 -17.286 14.512 -5.695 1.00 0.00 N ATOM 810 CA LYS A 54 -16.387 14.347 -6.805 1.00 0.00 C ATOM 811 C LYS A 54 -15.269 15.363 -6.785 1.00 0.00 C ATOM 812 O LYS A 54 -15.483 16.539 -6.490 1.00 0.00 O ATOM 813 CB LYS A 54 -17.158 14.454 -8.123 1.00 0.00 C ATOM 814 CG LYS A 54 -16.281 14.291 -9.348 1.00 0.00 C ATOM 815 CD LYS A 54 -17.056 14.519 -10.632 1.00 0.00 C ATOM 816 CE LYS A 54 -16.138 14.458 -11.841 1.00 0.00 C ATOM 817 NZ LYS A 54 -16.862 14.735 -13.103 1.00 0.00 N ATOM 0 H LYS A 54 -17.846 15.364 -5.719 1.00 0.00 H new ATOM 0 HA LYS A 54 -15.938 13.358 -6.717 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -17.939 13.694 -8.141 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -17.655 15.423 -8.167 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -15.450 14.994 -9.296 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -15.851 13.289 -9.356 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -17.839 13.766 -10.727 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -17.550 15.490 -10.595 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -15.331 15.181 -11.720 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -15.677 13.472 -11.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -16.199 14.683 -13.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -17.616 14.030 -13.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -17.281 15.686 -13.062 1.00 0.00 H new ATOM 831 N ILE A 55 -14.081 14.892 -7.103 1.00 0.00 N ATOM 832 CA ILE A 55 -12.914 15.724 -7.193 1.00 0.00 C ATOM 833 C ILE A 55 -12.461 15.742 -8.647 1.00 0.00 C ATOM 834 O ILE A 55 -11.950 14.739 -9.151 1.00 0.00 O ATOM 835 CB ILE A 55 -11.756 15.176 -6.321 1.00 0.00 C ATOM 836 CG1 ILE A 55 -12.136 15.163 -4.833 1.00 0.00 C ATOM 837 CG2 ILE A 55 -10.493 15.998 -6.540 1.00 0.00 C ATOM 838 CD1 ILE A 55 -12.078 16.521 -4.173 1.00 0.00 C ATOM 0 H ILE A 55 -13.904 13.909 -7.307 1.00 0.00 H new ATOM 0 HA ILE A 55 -13.166 16.723 -6.836 1.00 0.00 H new ATOM 0 HB ILE A 55 -11.564 14.147 -6.626 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -13.145 14.763 -4.729 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -11.468 14.484 -4.304 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -9.689 15.601 -5.921 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -10.203 15.946 -7.589 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -10.683 17.036 -6.267 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -12.360 16.428 -3.124 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -11.065 16.917 -4.243 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -12.768 17.199 -4.675 1.00 0.00 H new ATOM 850 N PRO A 56 -12.687 16.852 -9.359 1.00 0.00 N ATOM 851 CA PRO A 56 -12.286 16.974 -10.757 1.00 0.00 C ATOM 852 C PRO A 56 -10.770 16.924 -10.906 1.00 0.00 C ATOM 853 O PRO A 56 -10.073 17.916 -10.659 1.00 0.00 O ATOM 854 CB PRO A 56 -12.826 18.345 -11.184 1.00 0.00 C ATOM 855 CG PRO A 56 -13.822 18.718 -10.134 1.00 0.00 C ATOM 856 CD PRO A 56 -13.357 18.061 -8.869 1.00 0.00 C ATOM 0 HA PRO A 56 -12.672 16.158 -11.368 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -12.025 19.082 -11.246 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -13.291 18.296 -12.168 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -13.876 19.800 -10.014 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -14.821 18.377 -10.406 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -12.677 18.701 -8.307 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -14.190 17.822 -8.207 1.00 0.00 H new ATOM 864 N CYS A 57 -10.270 15.765 -11.291 1.00 0.00 N ATOM 865 CA CYS A 57 -8.841 15.546 -11.443 1.00 0.00 C ATOM 866 C CYS A 57 -8.311 16.261 -12.675 1.00 0.00 C ATOM 867 O CYS A 57 -7.182 16.754 -12.686 1.00 0.00 O ATOM 868 CB CYS A 57 -8.549 14.050 -11.542 1.00 0.00 C ATOM 869 SG CYS A 57 -6.777 13.632 -11.591 1.00 0.00 S ATOM 0 H CYS A 57 -10.841 14.948 -11.507 1.00 0.00 H new ATOM 0 HA CYS A 57 -8.337 15.953 -10.567 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -9.006 13.546 -10.690 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -9.028 13.657 -12.439 1.00 0.00 H new ATOM 993 N GLY A 64 -17.318 28.487 -14.580 1.00 0.00 N ATOM 994 CA GLY A 64 -18.332 29.409 -15.049 1.00 0.00 C ATOM 995 C GLY A 64 -18.016 29.977 -16.424 1.00 0.00 C ATOM 996 O GLY A 64 -18.576 30.996 -16.832 1.00 0.00 O ATOM 0 HA2 GLY A 64 -19.294 28.898 -15.084 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -18.431 30.227 -14.336 1.00 0.00 H new ATOM 1000 N ALA A 65 -17.126 29.306 -17.144 1.00 0.00 N ATOM 1001 CA ALA A 65 -16.718 29.751 -18.470 1.00 0.00 C ATOM 1002 C ALA A 65 -17.675 29.235 -19.528 1.00 0.00 C ATOM 1003 O ALA A 65 -17.667 29.694 -20.672 1.00 0.00 O ATOM 1004 CB ALA A 65 -15.298 29.294 -18.768 1.00 0.00 C ATOM 0 H ALA A 65 -16.672 28.448 -16.830 1.00 0.00 H new ATOM 0 HA ALA A 65 -16.744 30.841 -18.489 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -15.007 29.634 -19.762 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -14.618 29.714 -18.027 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -15.250 28.206 -18.728 1.00 0.00 H new ATOM 1010 N GLU A 66 -18.505 28.285 -19.140 1.00 0.00 N ATOM 1011 CA GLU A 66 -19.474 27.700 -20.047 1.00 0.00 C ATOM 1012 C GLU A 66 -20.768 28.503 -20.004 1.00 0.00 C ATOM 1013 O GLU A 66 -21.704 28.252 -20.763 1.00 0.00 O ATOM 1014 CB GLU A 66 -19.722 26.239 -19.674 1.00 0.00 C ATOM 1015 CG GLU A 66 -18.433 25.451 -19.466 1.00 0.00 C ATOM 1016 CD GLU A 66 -18.675 24.014 -19.075 1.00 0.00 C ATOM 1017 OE1 GLU A 66 -18.772 23.160 -19.981 1.00 0.00 O ATOM 1018 OE2 GLU A 66 -18.761 23.729 -17.866 1.00 0.00 O ATOM 0 H GLU A 66 -18.527 27.900 -18.196 1.00 0.00 H new ATOM 0 HA GLU A 66 -19.084 27.729 -21.065 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -20.317 26.198 -18.762 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -20.309 25.764 -20.460 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -17.846 25.478 -20.384 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -17.838 25.937 -18.693 1.00 0.00 H new ATOM 1025 N CYS A 67 -20.799 29.471 -19.103 1.00 0.00 N ATOM 1026 CA CYS A 67 -21.925 30.367 -18.956 1.00 0.00 C ATOM 1027 C CYS A 67 -21.431 31.750 -18.510 1.00 0.00 C ATOM 1028 O CYS A 67 -20.664 32.388 -19.226 1.00 0.00 O ATOM 1029 CB CYS A 67 -22.945 29.793 -17.972 1.00 0.00 C ATOM 1030 SG CYS A 67 -22.238 29.291 -16.374 1.00 0.00 S ATOM 0 H CYS A 67 -20.037 29.655 -18.451 1.00 0.00 H new ATOM 0 HA CYS A 67 -22.426 30.475 -19.918 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -23.721 30.537 -17.795 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -23.429 28.930 -18.430 1.00 0.00 H new ATOM 1035 N LYS A 68 -21.852 32.211 -17.330 1.00 0.00 N ATOM 1036 CA LYS A 68 -21.408 33.507 -16.829 1.00 0.00 C ATOM 1037 C LYS A 68 -20.980 33.396 -15.375 1.00 0.00 C ATOM 1038 O LYS A 68 -21.753 32.939 -14.523 1.00 0.00 O ATOM 1039 CB LYS A 68 -22.505 34.555 -16.998 1.00 0.00 C ATOM 1040 CG LYS A 68 -22.768 34.931 -18.449 1.00 0.00 C ATOM 1041 CD LYS A 68 -23.881 35.956 -18.577 1.00 0.00 C ATOM 1042 CE LYS A 68 -24.081 36.387 -20.026 1.00 0.00 C ATOM 1043 NZ LYS A 68 -24.491 35.253 -20.894 1.00 0.00 N ATOM 0 H LYS A 68 -22.492 31.711 -16.713 1.00 0.00 H new ATOM 0 HA LYS A 68 -20.545 33.827 -17.414 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -23.427 34.178 -16.556 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -22.228 35.452 -16.443 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -21.855 35.330 -18.892 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -23.032 34.037 -19.013 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -24.810 35.536 -18.190 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -23.646 36.828 -17.966 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -24.839 37.169 -20.070 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -23.155 36.818 -20.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -24.763 35.614 -21.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -23.697 34.589 -20.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -25.300 34.762 -20.464 1.00 0.00 H new ATOM 1057 N TYR A 69 -19.765 33.832 -15.086 1.00 0.00 N ATOM 1058 CA TYR A 69 -19.216 33.699 -13.753 1.00 0.00 C ATOM 1059 C TYR A 69 -18.625 35.004 -13.252 1.00 0.00 C ATOM 1060 O TYR A 69 -18.188 35.848 -14.035 1.00 0.00 O ATOM 1061 CB TYR A 69 -18.152 32.622 -13.739 1.00 0.00 C ATOM 1062 CG TYR A 69 -18.244 31.716 -12.541 1.00 0.00 C ATOM 1063 CD1 TYR A 69 -19.425 31.053 -12.249 1.00 0.00 C ATOM 1064 CD2 TYR A 69 -17.160 31.522 -11.702 1.00 0.00 C ATOM 1065 CE1 TYR A 69 -19.526 30.229 -11.161 1.00 0.00 C ATOM 1066 CE2 TYR A 69 -17.254 30.691 -10.607 1.00 0.00 C ATOM 1067 CZ TYR A 69 -18.443 30.048 -10.340 1.00 0.00 C ATOM 1068 OH TYR A 69 -18.550 29.229 -9.242 1.00 0.00 O ATOM 0 H TYR A 69 -19.143 34.280 -15.758 1.00 0.00 H new ATOM 0 HA TYR A 69 -20.033 33.423 -13.087 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -18.237 32.024 -14.646 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -17.168 33.091 -13.757 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -20.282 31.189 -12.892 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -16.229 32.029 -11.908 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -20.456 29.723 -10.950 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -16.401 30.544 -9.962 1.00 0.00 H new ATOM 0 HH TYR A 69 -19.496 29.053 -9.056 1.00 0.00 H new ATOM 1078 N GLN A 70 -18.619 35.153 -11.946 1.00 0.00 N ATOM 1079 CA GLN A 70 -18.071 36.320 -11.295 1.00 0.00 C ATOM 1080 C GLN A 70 -16.701 35.972 -10.706 1.00 0.00 C ATOM 1081 O GLN A 70 -16.589 35.097 -9.847 1.00 0.00 O ATOM 1082 CB GLN A 70 -19.037 36.792 -10.210 1.00 0.00 C ATOM 1083 CG GLN A 70 -18.705 38.139 -9.609 1.00 0.00 C ATOM 1084 CD GLN A 70 -19.826 38.661 -8.733 1.00 0.00 C ATOM 1085 OE1 GLN A 70 -21.004 38.381 -8.975 1.00 0.00 O ATOM 1086 NE2 GLN A 70 -19.475 39.414 -7.716 1.00 0.00 N ATOM 0 H GLN A 70 -18.998 34.460 -11.301 1.00 0.00 H new ATOM 0 HA GLN A 70 -17.940 37.130 -12.013 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -20.041 36.835 -10.631 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -19.057 36.049 -9.413 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -17.792 38.058 -9.019 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -18.506 38.853 -10.408 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -18.490 39.622 -7.551 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -20.187 39.791 -7.091 1.00 0.00 H new ATOM 1095 N PHE A 71 -15.678 36.655 -11.186 1.00 0.00 N ATOM 1096 CA PHE A 71 -14.288 36.389 -10.811 1.00 0.00 C ATOM 1097 C PHE A 71 -13.772 37.319 -9.720 1.00 0.00 C ATOM 1098 O PHE A 71 -13.662 38.534 -9.920 1.00 0.00 O ATOM 1099 CB PHE A 71 -13.376 36.451 -12.031 1.00 0.00 C ATOM 1100 CG PHE A 71 -13.665 35.383 -13.051 1.00 0.00 C ATOM 1101 CD1 PHE A 71 -14.488 35.642 -14.135 1.00 0.00 C ATOM 1102 CD2 PHE A 71 -13.114 34.118 -12.922 1.00 0.00 C ATOM 1103 CE1 PHE A 71 -14.755 34.659 -15.069 1.00 0.00 C ATOM 1104 CE2 PHE A 71 -13.378 33.132 -13.852 1.00 0.00 C ATOM 1105 CZ PHE A 71 -14.200 33.403 -14.927 1.00 0.00 C ATOM 0 H PHE A 71 -15.782 37.419 -11.854 1.00 0.00 H new ATOM 0 HA PHE A 71 -14.273 35.380 -10.399 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -13.478 37.429 -12.502 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -12.340 36.360 -11.705 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -14.926 36.623 -14.251 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -12.470 33.900 -12.083 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -15.398 34.873 -15.910 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -12.942 32.150 -13.738 1.00 0.00 H new ATOM 0 HZ PHE A 71 -14.409 32.634 -15.656 1.00 0.00 H new ATOM 1115 N GLN A 72 -13.474 36.746 -8.568 1.00 0.00 N ATOM 1116 CA GLN A 72 -12.898 37.452 -7.476 1.00 0.00 C ATOM 1117 C GLN A 72 -11.580 36.774 -7.059 1.00 0.00 C ATOM 1118 O GLN A 72 -11.509 35.541 -6.985 1.00 0.00 O ATOM 1119 CB GLN A 72 -13.892 37.471 -6.321 1.00 0.00 C ATOM 1120 CG GLN A 72 -13.238 37.459 -4.980 1.00 0.00 C ATOM 1121 CD GLN A 72 -14.195 37.745 -3.845 1.00 0.00 C ATOM 1122 OE1 GLN A 72 -15.386 37.447 -3.932 1.00 0.00 O ATOM 1123 NE2 GLN A 72 -13.685 38.310 -2.772 1.00 0.00 N ATOM 0 H GLN A 72 -13.635 35.757 -8.378 1.00 0.00 H new ATOM 0 HA GLN A 72 -12.674 38.479 -7.766 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -14.518 38.359 -6.404 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -14.551 36.607 -6.404 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -12.774 36.486 -4.818 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -12.438 38.199 -4.967 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -12.692 38.541 -2.740 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -14.283 38.517 -1.972 1.00 0.00 H new ATOM 1132 N ALA A 73 -10.547 37.587 -6.794 1.00 0.00 N ATOM 1133 CA ALA A 73 -9.219 37.084 -6.400 1.00 0.00 C ATOM 1134 C ALA A 73 -8.656 36.128 -7.452 1.00 0.00 C ATOM 1135 O ALA A 73 -7.947 35.174 -7.140 1.00 0.00 O ATOM 1136 CB ALA A 73 -9.285 36.408 -5.034 1.00 0.00 C ATOM 0 H ALA A 73 -10.605 38.604 -6.846 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.543 37.937 -6.330 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.295 36.043 -4.760 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.626 37.127 -4.289 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -9.982 35.571 -5.076 1.00 0.00 H new ATOM 1142 N TRP A 74 -8.930 36.431 -8.697 1.00 0.00 N ATOM 1143 CA TRP A 74 -8.509 35.593 -9.801 1.00 0.00 C ATOM 1144 C TRP A 74 -7.095 35.978 -10.230 1.00 0.00 C ATOM 1145 O TRP A 74 -6.349 35.167 -10.784 1.00 0.00 O ATOM 1146 CB TRP A 74 -9.498 35.765 -10.970 1.00 0.00 C ATOM 1147 CG TRP A 74 -9.174 34.951 -12.189 1.00 0.00 C ATOM 1148 CD1 TRP A 74 -9.528 33.656 -12.429 1.00 0.00 C ATOM 1149 CD2 TRP A 74 -8.442 35.387 -13.341 1.00 0.00 C ATOM 1150 NE1 TRP A 74 -9.051 33.257 -13.653 1.00 0.00 N ATOM 1151 CE2 TRP A 74 -8.383 34.302 -14.232 1.00 0.00 C ATOM 1152 CE3 TRP A 74 -7.827 36.589 -13.701 1.00 0.00 C ATOM 1153 CZ2 TRP A 74 -7.737 34.382 -15.461 1.00 0.00 C ATOM 1154 CZ3 TRP A 74 -7.185 36.667 -14.920 1.00 0.00 C ATOM 1155 CH2 TRP A 74 -7.146 35.570 -15.788 1.00 0.00 C ATOM 0 H TRP A 74 -9.450 37.263 -8.977 1.00 0.00 H new ATOM 0 HA TRP A 74 -8.502 34.547 -9.493 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -10.497 35.497 -10.626 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -9.529 36.818 -11.250 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -10.100 33.035 -11.755 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -9.174 32.332 -14.064 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -7.854 37.441 -13.038 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -7.704 33.537 -16.132 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -6.705 37.590 -15.209 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -6.638 35.664 -16.736 1.00 0.00 H new ATOM 1166 N GLY A 75 -6.738 37.208 -9.925 1.00 0.00 N ATOM 1167 CA GLY A 75 -5.477 37.771 -10.347 1.00 0.00 C ATOM 1168 C GLY A 75 -4.229 37.185 -9.693 1.00 0.00 C ATOM 1169 O GLY A 75 -3.632 36.241 -10.210 1.00 0.00 O ATOM 0 H GLY A 75 -7.316 37.845 -9.377 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -5.390 37.647 -11.426 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.497 38.843 -10.150 1.00 0.00 H new ATOM 1173 N GLU A 76 -3.839 37.743 -8.564 1.00 0.00 N ATOM 1174 CA GLU A 76 -2.560 37.425 -7.974 1.00 0.00 C ATOM 1175 C GLU A 76 -2.617 36.767 -6.595 1.00 0.00 C ATOM 1176 O GLU A 76 -3.501 37.042 -5.784 1.00 0.00 O ATOM 1177 CB GLU A 76 -1.674 38.647 -7.965 1.00 0.00 C ATOM 1178 CG GLU A 76 -1.317 39.126 -9.364 1.00 0.00 C ATOM 1179 CD GLU A 76 0.020 39.806 -9.425 1.00 0.00 C ATOM 1180 OE1 GLU A 76 1.039 39.095 -9.553 1.00 0.00 O ATOM 1181 OE2 GLU A 76 0.066 41.052 -9.363 1.00 0.00 O ATOM 0 H GLU A 76 -4.393 38.420 -8.038 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.129 36.656 -8.615 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.177 39.451 -7.428 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -0.758 38.422 -7.418 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.318 38.275 -10.045 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -2.086 39.815 -9.714 1.00 0.00 H new ATOM 1188 N CYS A 77 -1.675 35.846 -6.385 1.00 0.00 N ATOM 1189 CA CYS A 77 -1.466 35.155 -5.111 1.00 0.00 C ATOM 1190 C CYS A 77 -0.904 36.141 -4.070 1.00 0.00 C ATOM 1191 O CYS A 77 -0.339 37.177 -4.437 1.00 0.00 O ATOM 1192 CB CYS A 77 -0.466 33.987 -5.347 1.00 0.00 C ATOM 1193 SG CYS A 77 0.233 33.216 -3.842 1.00 0.00 S ATOM 0 H CYS A 77 -1.022 35.553 -7.112 1.00 0.00 H new ATOM 0 HA CYS A 77 -2.410 34.761 -4.734 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -0.971 33.214 -5.927 1.00 0.00 H new ATOM 0 HB3 CYS A 77 0.357 34.357 -5.958 1.00 0.00 H new ATOM 1198 N ASP A 78 -1.047 35.821 -2.784 1.00 0.00 N ATOM 1199 CA ASP A 78 -0.535 36.709 -1.732 1.00 0.00 C ATOM 1200 C ASP A 78 0.846 36.298 -1.301 1.00 0.00 C ATOM 1201 O ASP A 78 1.051 35.213 -0.760 1.00 0.00 O ATOM 1202 CB ASP A 78 -1.438 36.753 -0.521 1.00 0.00 C ATOM 1203 CG ASP A 78 -0.905 37.693 0.546 1.00 0.00 C ATOM 1204 OD1 ASP A 78 -0.516 38.829 0.209 1.00 0.00 O ATOM 1205 OD2 ASP A 78 -0.878 37.307 1.719 1.00 0.00 O ATOM 0 H ASP A 78 -1.503 34.973 -2.447 1.00 0.00 H new ATOM 0 HA ASP A 78 -0.502 37.707 -2.169 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -2.435 37.074 -0.823 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -1.538 35.750 -0.105 1.00 0.00 H new ATOM 1210 N LEU A 79 1.780 37.167 -1.543 1.00 0.00 N ATOM 1211 CA LEU A 79 3.171 36.913 -1.219 1.00 0.00 C ATOM 1212 C LEU A 79 3.444 36.933 0.272 1.00 0.00 C ATOM 1213 O LEU A 79 4.332 36.232 0.753 1.00 0.00 O ATOM 1214 CB LEU A 79 4.076 37.910 -1.907 1.00 0.00 C ATOM 1215 CG LEU A 79 4.062 39.369 -1.385 1.00 0.00 C ATOM 1216 CD1 LEU A 79 5.220 40.154 -1.982 1.00 0.00 C ATOM 1217 CD2 LEU A 79 2.743 40.067 -1.705 1.00 0.00 C ATOM 0 H LEU A 79 1.610 38.077 -1.971 1.00 0.00 H new ATOM 0 HA LEU A 79 3.385 35.907 -1.581 1.00 0.00 H new ATOM 0 HB2 LEU A 79 5.098 37.538 -1.839 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.813 37.929 -2.965 1.00 0.00 H new ATOM 0 HG LEU A 79 4.170 39.332 -0.301 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.198 41.177 -1.607 1.00 0.00 H new ATOM 0 HD12 LEU A 79 6.162 39.684 -1.699 1.00 0.00 H new ATOM 0 HD13 LEU A 79 5.131 40.164 -3.068 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.770 41.088 -1.324 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.594 40.087 -2.785 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.922 39.526 -1.235 1.00 0.00 H new ATOM 1229 N ASN A 80 2.688 37.726 1.003 1.00 0.00 N ATOM 1230 CA ASN A 80 2.907 37.849 2.426 1.00 0.00 C ATOM 1231 C ASN A 80 2.589 36.570 3.134 1.00 0.00 C ATOM 1232 O ASN A 80 3.226 36.223 4.134 1.00 0.00 O ATOM 1233 CB ASN A 80 2.072 38.999 2.997 1.00 0.00 C ATOM 1234 CG ASN A 80 2.677 40.366 2.715 1.00 0.00 C ATOM 1235 OD1 ASN A 80 3.895 40.523 2.671 1.00 0.00 O ATOM 1236 ND2 ASN A 80 1.833 41.360 2.520 1.00 0.00 N ATOM 0 H ASN A 80 1.922 38.291 0.637 1.00 0.00 H new ATOM 0 HA ASN A 80 3.962 38.069 2.587 1.00 0.00 H new ATOM 0 HB2 ASN A 80 1.068 38.957 2.574 1.00 0.00 H new ATOM 0 HB3 ASN A 80 1.970 38.867 4.074 1.00 0.00 H new ATOM 0 HD21 ASN A 80 2.185 42.297 2.325 1.00 0.00 H new ATOM 0 HD22 ASN A 80 0.828 41.192 2.564 1.00 0.00 H new ATOM 1243 N THR A 81 1.620 35.863 2.625 1.00 0.00 N ATOM 1244 CA THR A 81 1.184 34.634 3.265 1.00 0.00 C ATOM 1245 C THR A 81 1.606 33.405 2.484 1.00 0.00 C ATOM 1246 O THR A 81 1.475 32.276 2.970 1.00 0.00 O ATOM 1247 CB THR A 81 -0.335 34.632 3.461 1.00 0.00 C ATOM 1248 OG1 THR A 81 -0.985 34.758 2.191 1.00 0.00 O ATOM 1249 CG2 THR A 81 -0.739 35.798 4.341 1.00 0.00 C ATOM 0 H THR A 81 1.113 36.107 1.774 1.00 0.00 H new ATOM 0 HA THR A 81 1.671 34.594 4.240 1.00 0.00 H new ATOM 0 HB THR A 81 -0.631 33.696 3.934 1.00 0.00 H new ATOM 0 HG1 THR A 81 -0.791 35.640 1.810 1.00 0.00 H new ATOM 0 HG21 THR A 81 -1.820 35.793 4.478 1.00 0.00 H new ATOM 0 HG22 THR A 81 -0.250 35.708 5.311 1.00 0.00 H new ATOM 0 HG23 THR A 81 -0.438 36.733 3.868 1.00 0.00 H new ATOM 1257 N ALA A 82 2.136 33.640 1.285 1.00 0.00 N ATOM 1258 CA ALA A 82 2.501 32.578 0.358 1.00 0.00 C ATOM 1259 C ALA A 82 1.271 31.747 0.032 1.00 0.00 C ATOM 1260 O ALA A 82 1.348 30.536 -0.107 1.00 0.00 O ATOM 1261 CB ALA A 82 3.616 31.703 0.934 1.00 0.00 C ATOM 0 H ALA A 82 2.324 34.578 0.931 1.00 0.00 H new ATOM 0 HA ALA A 82 2.882 33.026 -0.560 1.00 0.00 H new ATOM 0 HB1 ALA A 82 3.868 30.918 0.221 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.497 32.316 1.126 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.278 31.251 1.866 1.00 0.00 H new ATOM 1267 N LEU A 83 0.138 32.420 -0.101 1.00 0.00 N ATOM 1268 CA LEU A 83 -1.120 31.730 -0.326 1.00 0.00 C ATOM 1269 C LEU A 83 -1.881 32.293 -1.477 1.00 0.00 C ATOM 1270 O LEU A 83 -1.838 33.486 -1.744 1.00 0.00 O ATOM 1271 CB LEU A 83 -1.968 31.722 0.934 1.00 0.00 C ATOM 1272 CG LEU A 83 -1.309 31.091 2.159 1.00 0.00 C ATOM 1273 CD1 LEU A 83 -2.239 31.140 3.335 1.00 0.00 C ATOM 1274 CD2 LEU A 83 -0.902 29.653 1.880 1.00 0.00 C ATOM 0 H LEU A 83 0.065 33.436 -0.057 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.874 30.700 -0.584 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.239 32.750 1.176 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.895 31.188 0.725 1.00 0.00 H new ATOM 0 HG LEU A 83 -0.411 31.664 2.390 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.756 30.687 4.200 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.487 32.177 3.560 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -3.151 30.592 3.100 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.435 29.228 2.769 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -1.785 29.069 1.619 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.194 29.629 1.052 1.00 0.00 H new ATOM 1286 N LYS A 84 -2.619 31.439 -2.133 1.00 0.00 N ATOM 1287 CA LYS A 84 -3.395 31.838 -3.255 1.00 0.00 C ATOM 1288 C LYS A 84 -4.819 31.408 -3.062 1.00 0.00 C ATOM 1289 O LYS A 84 -5.087 30.288 -2.641 1.00 0.00 O ATOM 1290 CB LYS A 84 -2.837 31.210 -4.525 1.00 0.00 C ATOM 1291 CG LYS A 84 -3.480 31.724 -5.781 1.00 0.00 C ATOM 1292 CD LYS A 84 -2.984 30.972 -7.008 1.00 0.00 C ATOM 1293 CE LYS A 84 -3.658 31.464 -8.281 1.00 0.00 C ATOM 1294 NZ LYS A 84 -3.334 32.885 -8.571 1.00 0.00 N ATOM 0 H LYS A 84 -2.693 30.449 -1.898 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.354 32.923 -3.348 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.764 31.398 -4.573 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -2.969 30.129 -4.475 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -4.563 31.624 -5.704 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -3.265 32.787 -5.893 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -1.905 31.094 -7.098 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -3.175 29.906 -6.884 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -3.345 30.843 -9.120 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -4.738 31.351 -8.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -3.685 33.135 -9.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -3.787 33.496 -7.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -2.303 33.020 -8.537 1.00 0.00 H new ATOM 1308 N THR A 85 -5.717 32.287 -3.357 1.00 0.00 N ATOM 1309 CA THR A 85 -7.114 31.973 -3.241 1.00 0.00 C ATOM 1310 C THR A 85 -7.885 32.543 -4.399 1.00 0.00 C ATOM 1311 O THR A 85 -7.532 33.589 -4.931 1.00 0.00 O ATOM 1312 CB THR A 85 -7.724 32.432 -1.901 1.00 0.00 C ATOM 1313 OG1 THR A 85 -9.059 31.923 -1.763 1.00 0.00 O ATOM 1314 CG2 THR A 85 -7.742 33.946 -1.793 1.00 0.00 C ATOM 0 H THR A 85 -5.515 33.233 -3.682 1.00 0.00 H new ATOM 0 HA THR A 85 -7.192 30.886 -3.263 1.00 0.00 H new ATOM 0 HB THR A 85 -7.100 32.038 -1.099 1.00 0.00 H new ATOM 0 HG1 THR A 85 -9.139 31.078 -2.252 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.178 34.237 -0.837 1.00 0.00 H new ATOM 0 HG22 THR A 85 -6.723 34.328 -1.859 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.338 34.362 -2.605 1.00 0.00 H new ATOM 1322 N ARG A 86 -8.898 31.834 -4.807 1.00 0.00 N ATOM 1323 CA ARG A 86 -9.749 32.247 -5.906 1.00 0.00 C ATOM 1324 C ARG A 86 -11.204 32.011 -5.549 1.00 0.00 C ATOM 1325 O ARG A 86 -11.574 30.932 -5.076 1.00 0.00 O ATOM 1326 CB ARG A 86 -9.385 31.515 -7.211 1.00 0.00 C ATOM 1327 CG ARG A 86 -8.180 32.104 -7.935 1.00 0.00 C ATOM 1328 CD ARG A 86 -7.948 31.434 -9.284 1.00 0.00 C ATOM 1329 NE ARG A 86 -7.109 32.261 -10.167 1.00 0.00 N ATOM 1330 CZ ARG A 86 -6.726 31.912 -11.406 1.00 0.00 C ATOM 1331 NH1 ARG A 86 -7.013 30.708 -11.890 1.00 0.00 N ATOM 1332 NH2 ARG A 86 -6.042 32.772 -12.151 1.00 0.00 N ATOM 0 H ARG A 86 -9.166 30.944 -4.388 1.00 0.00 H new ATOM 0 HA ARG A 86 -9.591 33.312 -6.076 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -9.184 30.468 -6.985 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -10.245 31.537 -7.880 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -8.331 33.174 -8.081 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -7.291 31.989 -7.314 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -7.471 30.466 -9.132 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -8.907 31.245 -9.766 1.00 0.00 H new ATOM 0 HE ARG A 86 -6.796 33.165 -9.812 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -7.529 30.039 -11.319 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -6.717 30.453 -12.832 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -5.809 33.694 -11.782 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -5.749 32.511 -13.093 1.00 0.00 H new ATOM 1346 N THR A 87 -12.012 33.026 -5.741 1.00 0.00 N ATOM 1347 CA THR A 87 -13.418 32.935 -5.420 1.00 0.00 C ATOM 1348 C THR A 87 -14.263 33.193 -6.664 1.00 0.00 C ATOM 1349 O THR A 87 -13.909 34.020 -7.507 1.00 0.00 O ATOM 1350 CB THR A 87 -13.786 33.941 -4.320 1.00 0.00 C ATOM 1351 OG1 THR A 87 -12.754 33.940 -3.323 1.00 0.00 O ATOM 1352 CG2 THR A 87 -15.114 33.574 -3.667 1.00 0.00 C ATOM 0 H THR A 87 -11.720 33.927 -6.119 1.00 0.00 H new ATOM 0 HA THR A 87 -13.622 31.928 -5.056 1.00 0.00 H new ATOM 0 HB THR A 87 -13.883 34.930 -4.768 1.00 0.00 H new ATOM 0 HG1 THR A 87 -12.980 34.581 -2.617 1.00 0.00 H new ATOM 0 HG21 THR A 87 -15.352 34.302 -2.891 1.00 0.00 H new ATOM 0 HG22 THR A 87 -15.902 33.575 -4.420 1.00 0.00 H new ATOM 0 HG23 THR A 87 -15.039 32.582 -3.222 1.00 0.00 H new ATOM 1360 N GLY A 88 -15.367 32.486 -6.776 1.00 0.00 N ATOM 1361 CA GLY A 88 -16.222 32.654 -7.917 1.00 0.00 C ATOM 1362 C GLY A 88 -17.674 32.391 -7.606 1.00 0.00 C ATOM 1363 O GLY A 88 -18.000 31.657 -6.663 1.00 0.00 O ATOM 0 H GLY A 88 -15.686 31.797 -6.095 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -16.115 33.670 -8.298 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -15.898 31.980 -8.710 1.00 0.00 H new ATOM 1367 N SER A 89 -18.538 33.036 -8.360 1.00 0.00 N ATOM 1368 CA SER A 89 -19.970 32.841 -8.205 1.00 0.00 C ATOM 1369 C SER A 89 -20.697 32.950 -9.537 1.00 0.00 C ATOM 1370 O SER A 89 -20.316 33.740 -10.400 1.00 0.00 O ATOM 1371 CB SER A 89 -20.544 33.844 -7.194 1.00 0.00 C ATOM 1372 OG SER A 89 -19.893 33.728 -5.932 1.00 0.00 O ATOM 0 H SER A 89 -18.277 33.701 -9.088 1.00 0.00 H new ATOM 0 HA SER A 89 -20.127 31.832 -7.825 1.00 0.00 H new ATOM 0 HB2 SER A 89 -20.426 34.858 -7.576 1.00 0.00 H new ATOM 0 HB3 SER A 89 -21.613 33.671 -7.073 1.00 0.00 H new ATOM 0 HG SER A 89 -20.275 34.378 -5.306 1.00 0.00 H new ATOM 1378 N LEU A 90 -21.733 32.142 -9.704 1.00 0.00 N ATOM 1379 CA LEU A 90 -22.573 32.172 -10.863 1.00 0.00 C ATOM 1380 C LEU A 90 -23.433 33.431 -10.807 1.00 0.00 C ATOM 1381 O LEU A 90 -24.143 33.666 -9.824 1.00 0.00 O ATOM 1382 CB LEU A 90 -23.421 30.879 -10.841 1.00 0.00 C ATOM 1383 CG LEU A 90 -24.451 30.633 -11.953 1.00 0.00 C ATOM 1384 CD1 LEU A 90 -24.925 29.215 -11.899 1.00 0.00 C ATOM 1385 CD2 LEU A 90 -25.644 31.567 -11.845 1.00 0.00 C ATOM 0 H LEU A 90 -22.008 31.439 -9.018 1.00 0.00 H new ATOM 0 HA LEU A 90 -22.005 32.206 -11.793 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -22.731 30.035 -10.842 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -23.954 30.854 -9.890 1.00 0.00 H new ATOM 0 HG LEU A 90 -23.957 30.831 -12.904 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -25.656 29.045 -12.690 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -24.078 28.543 -12.037 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -25.387 29.022 -10.931 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -26.346 31.356 -12.652 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -26.139 31.416 -10.886 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -25.305 32.600 -11.920 1.00 0.00 H new ATOM 1397 N LYS A 91 -23.335 34.260 -11.832 1.00 0.00 N ATOM 1398 CA LYS A 91 -24.095 35.503 -11.870 1.00 0.00 C ATOM 1399 C LYS A 91 -25.279 35.426 -12.832 1.00 0.00 C ATOM 1400 O LYS A 91 -26.164 36.284 -12.806 1.00 0.00 O ATOM 1401 CB LYS A 91 -23.191 36.698 -12.203 1.00 0.00 C ATOM 1402 CG LYS A 91 -22.302 36.511 -13.421 1.00 0.00 C ATOM 1403 CD LYS A 91 -21.612 37.813 -13.793 1.00 0.00 C ATOM 1404 CE LYS A 91 -20.652 37.635 -14.956 1.00 0.00 C ATOM 1405 NZ LYS A 91 -20.133 38.937 -15.444 1.00 0.00 N ATOM 0 H LYS A 91 -22.741 34.099 -12.646 1.00 0.00 H new ATOM 0 HA LYS A 91 -24.503 35.655 -10.871 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -23.818 37.576 -12.361 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -22.560 36.908 -11.340 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -21.555 35.744 -13.217 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -22.899 36.158 -14.262 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -22.362 38.560 -14.053 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -21.068 38.195 -12.929 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -19.819 37.004 -14.647 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -21.159 37.117 -15.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -19.481 38.775 -16.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -20.926 39.530 -15.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -19.628 39.420 -14.674 1.00 0.00 H new ATOM 1419 N ARG A 92 -25.301 34.392 -13.661 1.00 0.00 N ATOM 1420 CA ARG A 92 -26.367 34.197 -14.636 1.00 0.00 C ATOM 1421 C ARG A 92 -26.550 32.723 -14.909 1.00 0.00 C ATOM 1422 O ARG A 92 -25.573 31.995 -15.109 1.00 0.00 O ATOM 1423 CB ARG A 92 -26.057 34.928 -15.942 1.00 0.00 C ATOM 1424 CG ARG A 92 -26.504 36.374 -15.969 1.00 0.00 C ATOM 1425 CD ARG A 92 -28.008 36.478 -16.069 1.00 0.00 C ATOM 1426 NE ARG A 92 -28.462 37.870 -16.094 1.00 0.00 N ATOM 1427 CZ ARG A 92 -29.713 38.250 -16.353 1.00 0.00 C ATOM 1428 NH1 ARG A 92 -30.647 37.340 -16.619 1.00 0.00 N ATOM 1429 NH2 ARG A 92 -30.031 39.540 -16.345 1.00 0.00 N ATOM 0 H ARG A 92 -24.584 33.667 -13.678 1.00 0.00 H new ATOM 0 HA ARG A 92 -27.287 34.609 -14.221 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -24.982 34.889 -16.120 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -26.536 34.397 -16.764 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -26.161 36.881 -15.067 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -26.044 36.884 -16.816 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -28.347 35.970 -16.972 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -28.464 35.963 -15.223 1.00 0.00 H new ATOM 0 HE ARG A 92 -27.774 38.598 -15.900 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -30.406 36.349 -16.625 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -31.604 37.634 -16.817 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -29.318 40.240 -16.141 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -30.988 39.830 -16.543 1.00 0.00 H new ATOM 1443 N ALA A 93 -27.787 32.287 -14.917 1.00 0.00 N ATOM 1444 CA ALA A 93 -28.104 30.894 -15.142 1.00 0.00 C ATOM 1445 C ALA A 93 -28.791 30.718 -16.481 1.00 0.00 C ATOM 1446 O ALA A 93 -29.708 31.463 -16.825 1.00 0.00 O ATOM 1447 CB ALA A 93 -28.982 30.363 -14.016 1.00 0.00 C ATOM 0 H ALA A 93 -28.601 32.884 -14.768 1.00 0.00 H new ATOM 0 HA ALA A 93 -27.176 30.323 -15.155 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -29.213 29.313 -14.199 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -28.454 30.459 -13.067 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -29.908 30.936 -13.976 1.00 0.00 H new ATOM 1453 N LEU A 94 -28.333 29.749 -17.243 1.00 0.00 N ATOM 1454 CA LEU A 94 -28.894 29.489 -18.551 1.00 0.00 C ATOM 1455 C LEU A 94 -29.962 28.411 -18.454 1.00 0.00 C ATOM 1456 O LEU A 94 -29.903 27.551 -17.572 1.00 0.00 O ATOM 1457 CB LEU A 94 -27.800 29.108 -19.553 1.00 0.00 C ATOM 1458 CG LEU A 94 -27.070 30.284 -20.236 1.00 0.00 C ATOM 1459 CD1 LEU A 94 -26.450 31.235 -19.213 1.00 0.00 C ATOM 1460 CD2 LEU A 94 -26.006 29.763 -21.191 1.00 0.00 C ATOM 0 H LEU A 94 -27.570 29.126 -16.978 1.00 0.00 H new ATOM 0 HA LEU A 94 -29.363 30.402 -18.919 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -27.059 28.497 -19.037 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -28.245 28.484 -20.327 1.00 0.00 H new ATOM 0 HG LEU A 94 -27.810 30.848 -20.803 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -25.945 32.049 -19.733 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -27.233 31.643 -18.574 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -25.729 30.692 -18.602 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -25.500 30.604 -21.665 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -25.280 29.168 -20.637 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -26.475 29.144 -21.956 1.00 0.00 H new ATOM 1472 N HIS A 95 -30.922 28.435 -19.358 1.00 0.00 N ATOM 1473 CA HIS A 95 -32.007 27.458 -19.333 1.00 0.00 C ATOM 1474 C HIS A 95 -31.544 26.096 -19.874 1.00 0.00 C ATOM 1475 O HIS A 95 -32.245 25.097 -19.751 1.00 0.00 O ATOM 1476 CB HIS A 95 -33.229 27.978 -20.114 1.00 0.00 C ATOM 1477 CG HIS A 95 -34.446 27.097 -20.013 1.00 0.00 C ATOM 1478 ND1 HIS A 95 -34.907 26.326 -21.054 1.00 0.00 N ATOM 1479 CD2 HIS A 95 -35.296 26.874 -18.982 1.00 0.00 C ATOM 1480 CE1 HIS A 95 -35.983 25.669 -20.671 1.00 0.00 C ATOM 1481 NE2 HIS A 95 -36.240 25.982 -19.420 1.00 0.00 N ATOM 0 H HIS A 95 -30.978 29.114 -20.117 1.00 0.00 H new ATOM 0 HA HIS A 95 -32.305 27.315 -18.294 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -33.483 28.973 -19.749 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -32.957 28.084 -21.164 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -35.240 27.317 -17.998 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -36.557 24.988 -21.282 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -37.016 25.620 -18.866 1.00 0.00 H new ATOM 1490 N ASN A 96 -30.355 26.062 -20.462 1.00 0.00 N ATOM 1491 CA ASN A 96 -29.815 24.811 -20.999 1.00 0.00 C ATOM 1492 C ASN A 96 -28.444 24.515 -20.418 1.00 0.00 C ATOM 1493 O ASN A 96 -27.685 23.705 -20.951 1.00 0.00 O ATOM 1494 CB ASN A 96 -29.749 24.849 -22.537 1.00 0.00 C ATOM 1495 CG ASN A 96 -28.763 25.881 -23.071 1.00 0.00 C ATOM 1496 OD1 ASN A 96 -27.587 25.590 -23.272 1.00 0.00 O ATOM 1497 ND2 ASN A 96 -29.239 27.086 -23.310 1.00 0.00 N ATOM 0 H ASN A 96 -29.749 26.874 -20.580 1.00 0.00 H new ATOM 0 HA ASN A 96 -30.492 24.009 -20.706 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -29.468 23.863 -22.906 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -30.742 25.066 -22.931 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -28.625 27.814 -23.674 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -30.222 27.291 -23.131 1.00 0.00 H new ATOM 1504 N ALA A 97 -28.156 25.133 -19.300 1.00 0.00 N ATOM 1505 CA ALA A 97 -26.861 24.972 -18.658 1.00 0.00 C ATOM 1506 C ALA A 97 -26.931 25.269 -17.170 1.00 0.00 C ATOM 1507 O ALA A 97 -27.159 26.412 -16.762 1.00 0.00 O ATOM 1508 CB ALA A 97 -25.813 25.852 -19.328 1.00 0.00 C ATOM 0 H ALA A 97 -28.798 25.755 -18.809 1.00 0.00 H new ATOM 0 HA ALA A 97 -26.567 23.929 -18.774 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -24.852 25.716 -18.832 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -25.722 25.574 -20.378 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -26.114 26.897 -19.254 1.00 0.00 H new ATOM 1514 N GLU A 98 -26.749 24.238 -16.368 1.00 0.00 N ATOM 1515 CA GLU A 98 -26.732 24.385 -14.928 1.00 0.00 C ATOM 1516 C GLU A 98 -25.301 24.622 -14.479 1.00 0.00 C ATOM 1517 O GLU A 98 -24.461 23.727 -14.564 1.00 0.00 O ATOM 1518 CB GLU A 98 -27.294 23.127 -14.235 1.00 0.00 C ATOM 1519 CG GLU A 98 -28.748 22.798 -14.572 1.00 0.00 C ATOM 1520 CD GLU A 98 -28.943 22.340 -16.003 1.00 0.00 C ATOM 1521 OE1 GLU A 98 -28.436 21.255 -16.358 1.00 0.00 O ATOM 1522 OE2 GLU A 98 -29.609 23.055 -16.775 1.00 0.00 O ATOM 0 H GLU A 98 -26.610 23.282 -16.694 1.00 0.00 H new ATOM 0 HA GLU A 98 -27.361 25.231 -14.651 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -26.672 22.273 -14.505 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -27.207 23.256 -13.156 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -29.103 22.019 -13.897 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -29.364 23.680 -14.393 1.00 0.00 H new ATOM 1529 N CYS A 99 -25.019 25.815 -14.015 1.00 0.00 N ATOM 1530 CA CYS A 99 -23.678 26.140 -13.629 1.00 0.00 C ATOM 1531 C CYS A 99 -23.471 26.098 -12.131 1.00 0.00 C ATOM 1532 O CYS A 99 -24.422 26.102 -11.346 1.00 0.00 O ATOM 1533 CB CYS A 99 -23.265 27.488 -14.195 1.00 0.00 C ATOM 1534 SG CYS A 99 -23.130 27.516 -16.002 1.00 0.00 S ATOM 0 H CYS A 99 -25.697 26.568 -13.898 1.00 0.00 H new ATOM 0 HA CYS A 99 -23.035 25.369 -14.053 1.00 0.00 H new ATOM 0 HB2 CYS A 99 -23.990 28.240 -13.883 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -22.305 27.773 -13.764 1.00 0.00 H new ATOM 1539 N GLN A 100 -22.215 26.033 -11.767 1.00 0.00 N ATOM 1540 CA GLN A 100 -21.803 26.066 -10.383 1.00 0.00 C ATOM 1541 C GLN A 100 -22.121 27.439 -9.806 1.00 0.00 C ATOM 1542 O GLN A 100 -21.790 28.455 -10.395 1.00 0.00 O ATOM 1543 CB GLN A 100 -20.311 25.775 -10.292 1.00 0.00 C ATOM 1544 CG GLN A 100 -19.478 26.629 -11.235 1.00 0.00 C ATOM 1545 CD GLN A 100 -18.005 26.267 -11.226 1.00 0.00 C ATOM 1546 OE1 GLN A 100 -17.700 25.003 -10.990 1.00 0.00 O flip ATOM 1547 NE2 GLN A 100 -17.152 27.114 -11.443 1.00 0.00 N flip ATOM 0 H GLN A 100 -21.442 25.955 -12.427 1.00 0.00 H new ATOM 0 HA GLN A 100 -22.338 25.308 -9.811 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -19.976 25.942 -9.268 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -20.138 24.722 -10.516 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -19.865 26.523 -12.248 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -19.589 27.678 -10.959 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -17.426 28.080 -11.621 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -16.165 26.855 -11.446 1.00 0.00 H new ATOM 1556 N LYS A 101 -22.767 27.450 -8.662 1.00 0.00 N ATOM 1557 CA LYS A 101 -23.242 28.671 -8.063 1.00 0.00 C ATOM 1558 C LYS A 101 -22.108 29.439 -7.412 1.00 0.00 C ATOM 1559 O LYS A 101 -22.018 30.652 -7.546 1.00 0.00 O ATOM 1560 CB LYS A 101 -24.339 28.363 -7.037 1.00 0.00 C ATOM 1561 CG LYS A 101 -24.936 29.588 -6.370 1.00 0.00 C ATOM 1562 CD LYS A 101 -25.633 30.490 -7.379 1.00 0.00 C ATOM 1563 CE LYS A 101 -26.275 31.689 -6.705 1.00 0.00 C ATOM 1564 NZ LYS A 101 -25.272 32.555 -6.037 1.00 0.00 N ATOM 0 H LYS A 101 -22.977 26.610 -8.122 1.00 0.00 H new ATOM 0 HA LYS A 101 -23.660 29.297 -8.851 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -25.137 27.809 -7.532 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -23.927 27.710 -6.268 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -25.648 29.277 -5.606 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -24.149 30.147 -5.863 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -24.912 30.832 -8.122 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -26.394 29.921 -7.912 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -26.821 32.272 -7.446 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -27.003 31.345 -5.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -25.720 33.449 -5.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -24.901 32.070 -5.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -24.491 32.753 -6.695 1.00 0.00 H new ATOM 1578 N THR A 102 -21.277 28.742 -6.684 1.00 0.00 N ATOM 1579 CA THR A 102 -20.158 29.390 -6.057 1.00 0.00 C ATOM 1580 C THR A 102 -18.984 28.435 -5.874 1.00 0.00 C ATOM 1581 O THR A 102 -19.159 27.222 -5.770 1.00 0.00 O ATOM 1582 CB THR A 102 -20.560 30.038 -4.701 1.00 0.00 C ATOM 1583 OG1 THR A 102 -19.443 30.739 -4.124 1.00 0.00 O ATOM 1584 CG2 THR A 102 -21.086 28.996 -3.722 1.00 0.00 C ATOM 0 H THR A 102 -21.352 27.739 -6.512 1.00 0.00 H new ATOM 0 HA THR A 102 -19.836 30.187 -6.727 1.00 0.00 H new ATOM 0 HB THR A 102 -21.360 30.751 -4.901 1.00 0.00 H new ATOM 0 HG1 THR A 102 -18.885 31.110 -4.839 1.00 0.00 H new ATOM 0 HG21 THR A 102 -21.358 29.482 -2.785 1.00 0.00 H new ATOM 0 HG22 THR A 102 -21.964 28.509 -4.146 1.00 0.00 H new ATOM 0 HG23 THR A 102 -20.313 28.251 -3.534 1.00 0.00 H new ATOM 1592 N VAL A 103 -17.794 29.007 -5.844 1.00 0.00 N ATOM 1593 CA VAL A 103 -16.568 28.246 -5.663 1.00 0.00 C ATOM 1594 C VAL A 103 -15.574 29.015 -4.829 1.00 0.00 C ATOM 1595 O VAL A 103 -15.412 30.231 -4.973 1.00 0.00 O ATOM 1596 CB VAL A 103 -15.893 27.819 -7.003 1.00 0.00 C ATOM 1597 CG1 VAL A 103 -16.749 26.820 -7.766 1.00 0.00 C ATOM 1598 CG2 VAL A 103 -15.579 29.029 -7.871 1.00 0.00 C ATOM 0 H VAL A 103 -17.649 30.012 -5.944 1.00 0.00 H new ATOM 0 HA VAL A 103 -16.867 27.334 -5.146 1.00 0.00 H new ATOM 0 HB VAL A 103 -14.953 27.329 -6.749 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -16.248 26.545 -8.694 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -16.899 25.929 -7.157 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -17.715 27.269 -7.995 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -15.109 28.700 -8.798 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -16.502 29.561 -8.101 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -14.900 29.694 -7.337 1.00 0.00 H new ATOM 1608 N THR A 104 -14.968 28.313 -3.931 1.00 0.00 N ATOM 1609 CA THR A 104 -13.927 28.845 -3.113 1.00 0.00 C ATOM 1610 C THR A 104 -12.756 27.886 -3.145 1.00 0.00 C ATOM 1611 O THR A 104 -12.918 26.704 -2.844 1.00 0.00 O ATOM 1612 CB THR A 104 -14.416 29.025 -1.676 1.00 0.00 C ATOM 1613 OG1 THR A 104 -15.563 29.891 -1.666 1.00 0.00 O ATOM 1614 CG2 THR A 104 -13.324 29.605 -0.785 1.00 0.00 C ATOM 0 H THR A 104 -15.186 27.335 -3.740 1.00 0.00 H new ATOM 0 HA THR A 104 -13.624 29.821 -3.493 1.00 0.00 H new ATOM 0 HB THR A 104 -14.686 28.045 -1.281 1.00 0.00 H new ATOM 0 HG1 THR A 104 -15.878 30.006 -0.745 1.00 0.00 H new ATOM 0 HG21 THR A 104 -13.705 29.720 0.230 1.00 0.00 H new ATOM 0 HG22 THR A 104 -12.466 28.933 -0.776 1.00 0.00 H new ATOM 0 HG23 THR A 104 -13.019 30.578 -1.170 1.00 0.00 H new ATOM 1622 N ILE A 105 -11.598 28.367 -3.518 1.00 0.00 N ATOM 1623 CA ILE A 105 -10.438 27.511 -3.592 1.00 0.00 C ATOM 1624 C ILE A 105 -9.198 28.221 -3.096 1.00 0.00 C ATOM 1625 O ILE A 105 -8.969 29.401 -3.389 1.00 0.00 O ATOM 1626 CB ILE A 105 -10.210 26.959 -5.026 1.00 0.00 C ATOM 1627 CG1 ILE A 105 -8.935 26.100 -5.092 1.00 0.00 C ATOM 1628 CG2 ILE A 105 -10.160 28.086 -6.050 1.00 0.00 C ATOM 1629 CD1 ILE A 105 -8.691 25.460 -6.445 1.00 0.00 C ATOM 0 H ILE A 105 -11.432 29.340 -3.774 1.00 0.00 H new ATOM 0 HA ILE A 105 -10.634 26.661 -2.938 1.00 0.00 H new ATOM 0 HB ILE A 105 -11.059 26.321 -5.273 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -8.077 26.721 -4.836 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -8.998 25.316 -4.337 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -9.999 27.668 -7.044 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -11.102 28.634 -6.035 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -9.342 28.764 -5.805 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -7.774 24.872 -6.409 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -9.529 24.810 -6.697 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -8.594 26.237 -7.203 1.00 0.00 H new ATOM 1641 N SER A 106 -8.431 27.509 -2.320 1.00 0.00 N ATOM 1642 CA SER A 106 -7.196 28.025 -1.795 1.00 0.00 C ATOM 1643 C SER A 106 -6.063 27.064 -2.128 1.00 0.00 C ATOM 1644 O SER A 106 -6.183 25.855 -1.923 1.00 0.00 O ATOM 1645 CB SER A 106 -7.305 28.240 -0.283 1.00 0.00 C ATOM 1646 OG SER A 106 -8.408 29.082 0.031 1.00 0.00 O ATOM 0 H SER A 106 -8.643 26.554 -2.033 1.00 0.00 H new ATOM 0 HA SER A 106 -6.985 28.991 -2.254 1.00 0.00 H new ATOM 0 HB2 SER A 106 -7.422 27.279 0.218 1.00 0.00 H new ATOM 0 HB3 SER A 106 -6.384 28.685 0.093 1.00 0.00 H new ATOM 0 HG SER A 106 -8.460 29.205 1.002 1.00 0.00 H new ATOM 1652 N LYS A 107 -4.982 27.600 -2.653 1.00 0.00 N ATOM 1653 CA LYS A 107 -3.828 26.811 -3.037 1.00 0.00 C ATOM 1654 C LYS A 107 -2.559 27.472 -2.526 1.00 0.00 C ATOM 1655 O LYS A 107 -2.154 28.517 -3.032 1.00 0.00 O ATOM 1656 CB LYS A 107 -3.755 26.669 -4.565 1.00 0.00 C ATOM 1657 CG LYS A 107 -4.892 25.859 -5.191 1.00 0.00 C ATOM 1658 CD LYS A 107 -4.858 24.392 -4.766 1.00 0.00 C ATOM 1659 CE LYS A 107 -3.555 23.707 -5.175 1.00 0.00 C ATOM 1660 NZ LYS A 107 -3.328 23.756 -6.645 1.00 0.00 N ATOM 0 H LYS A 107 -4.877 28.600 -2.827 1.00 0.00 H new ATOM 0 HA LYS A 107 -3.925 25.819 -2.597 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -3.751 27.665 -5.008 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -2.807 26.200 -4.827 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -5.848 26.296 -4.904 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -4.826 25.922 -6.277 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -4.979 24.325 -3.685 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -5.701 23.865 -5.214 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -2.720 24.186 -4.665 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -3.575 22.668 -4.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -2.518 23.152 -6.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -4.177 23.415 -7.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -3.130 24.735 -6.933 1.00 0.00 H new ATOM 1674 N PRO A 108 -1.941 26.891 -1.492 1.00 0.00 N ATOM 1675 CA PRO A 108 -0.704 27.428 -0.915 1.00 0.00 C ATOM 1676 C PRO A 108 0.376 27.640 -1.980 1.00 0.00 C ATOM 1677 O PRO A 108 0.724 26.716 -2.718 1.00 0.00 O ATOM 1678 CB PRO A 108 -0.273 26.343 0.075 1.00 0.00 C ATOM 1679 CG PRO A 108 -1.532 25.633 0.430 1.00 0.00 C ATOM 1680 CD PRO A 108 -2.391 25.669 -0.802 1.00 0.00 C ATOM 0 HA PRO A 108 -0.854 28.404 -0.454 1.00 0.00 H new ATOM 0 HB2 PRO A 108 0.452 25.663 -0.373 1.00 0.00 H new ATOM 0 HB3 PRO A 108 0.199 26.776 0.957 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -1.328 24.606 0.733 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -2.031 26.120 1.268 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -2.247 24.782 -1.419 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -3.451 25.715 -0.552 1.00 0.00 H new ATOM 1688 N CYS A 109 0.888 28.852 -2.055 1.00 0.00 N ATOM 1689 CA CYS A 109 1.922 29.196 -3.031 1.00 0.00 C ATOM 1690 C CYS A 109 3.305 28.850 -2.490 1.00 0.00 C ATOM 1691 O CYS A 109 3.439 28.315 -1.385 1.00 0.00 O ATOM 1692 CB CYS A 109 1.876 30.697 -3.379 1.00 0.00 C ATOM 1693 SG CYS A 109 0.397 31.235 -4.302 1.00 0.00 S ATOM 0 H CYS A 109 0.608 29.625 -1.451 1.00 0.00 H new ATOM 0 HA CYS A 109 1.729 28.616 -3.933 1.00 0.00 H new ATOM 0 HB2 CYS A 109 1.936 31.270 -2.454 1.00 0.00 H new ATOM 0 HB3 CYS A 109 2.761 30.945 -3.965 1.00 0.00 H new ATOM 1698 N GLY A 110 4.325 29.153 -3.268 1.00 0.00 N ATOM 1699 CA GLY A 110 5.678 28.909 -2.842 1.00 0.00 C ATOM 1700 C GLY A 110 6.380 30.199 -2.495 1.00 0.00 C ATOM 1701 O GLY A 110 5.823 31.285 -2.690 1.00 0.00 O ATOM 0 H GLY A 110 4.237 29.568 -4.196 1.00 0.00 H new ATOM 0 HA2 GLY A 110 5.676 28.248 -1.975 1.00 0.00 H new ATOM 0 HA3 GLY A 110 6.224 28.395 -3.633 1.00 0.00 H new