USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 705 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 91 HIS : no HD1:sc= -10.3! C(o=-12!,f=-20!) USER MOD Set 1.2: A 94 MET CE :methyl -172:sc= -1.3 (180deg=-0.523) USER MOD Set 2.1: A 28 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 40 LYS NZ :NH3+ -161:sc= -1.15 (180deg=-1.95) USER MOD Single : A 29 LYS NZ :NH3+ 156:sc= -0.0533 (180deg=-0.42) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 CYS SG : rot 2:sc= 0.908 USER MOD Single : A 52 TYR OH : rot 180:sc= -0.401 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -0.166 K(o=-0.17,f=-1.3!) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 CYS SG : rot -113:sc= 0.0527 USER MOD Single : A 101 THR OG1 : rot 120:sc= -0.109 USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.81 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 111 MET CE :methyl -118:sc= -0.507 (180deg=-1.62) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 MET CE :methyl -108:sc= -1.07 (180deg=-3.69!) USER MOD ----------------------------------------------------------------- ATOM 265 N PRO A 20 -13.309 -4.021 4.616 1.00 0.00 N ATOM 266 CA PRO A 20 -12.381 -4.470 5.658 1.00 0.00 C ATOM 267 C PRO A 20 -10.939 -4.524 5.167 1.00 0.00 C ATOM 268 O PRO A 20 -10.560 -5.425 4.419 1.00 0.00 O ATOM 269 CB PRO A 20 -12.882 -5.876 5.997 1.00 0.00 C ATOM 270 CG PRO A 20 -14.339 -5.845 5.684 1.00 0.00 C ATOM 271 CD PRO A 20 -14.532 -4.840 4.569 1.00 0.00 C ATOM 0 HA PRO A 20 -12.366 -3.790 6.510 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -12.366 -6.633 5.406 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -12.707 -6.116 7.046 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -14.689 -6.831 5.379 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -14.916 -5.560 6.564 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -14.647 -5.332 3.603 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.425 -4.235 4.727 1.00 0.00 H new ATOM 279 N VAL A 21 -10.137 -3.552 5.591 1.00 0.00 N ATOM 280 CA VAL A 21 -8.735 -3.489 5.196 1.00 0.00 C ATOM 281 C VAL A 21 -7.987 -4.746 5.624 1.00 0.00 C ATOM 282 O VAL A 21 -8.066 -5.167 6.778 1.00 0.00 O ATOM 283 CB VAL A 21 -8.036 -2.258 5.801 1.00 0.00 C ATOM 284 CG1 VAL A 21 -6.583 -2.195 5.354 1.00 0.00 C ATOM 285 CG2 VAL A 21 -8.775 -0.984 5.418 1.00 0.00 C ATOM 0 H VAL A 21 -10.435 -2.797 6.209 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.716 -3.410 4.109 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.054 -2.349 6.887 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.105 -1.318 5.792 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.062 -3.094 5.683 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.539 -2.127 4.267 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.267 -0.124 5.854 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -8.790 -0.885 4.333 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.798 -1.030 5.793 1.00 0.00 H new ATOM 295 N VAL A 22 -7.258 -5.343 4.686 1.00 0.00 N ATOM 296 CA VAL A 22 -6.493 -6.552 4.965 1.00 0.00 C ATOM 297 C VAL A 22 -5.276 -6.244 5.830 1.00 0.00 C ATOM 298 O VAL A 22 -5.042 -6.900 6.846 1.00 0.00 O ATOM 299 CB VAL A 22 -6.026 -7.234 3.666 1.00 0.00 C ATOM 300 CG1 VAL A 22 -5.257 -8.509 3.978 1.00 0.00 C ATOM 301 CG2 VAL A 22 -7.214 -7.526 2.761 1.00 0.00 C ATOM 0 H VAL A 22 -7.181 -5.008 3.726 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.157 -7.229 5.503 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.356 -6.554 3.140 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.935 -8.977 3.048 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.384 -8.268 4.584 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.900 -9.197 4.526 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.866 -8.008 1.848 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.911 -8.187 3.277 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.718 -6.593 2.509 1.00 0.00 H new ATOM 311 N ARG A 23 -4.504 -5.243 5.421 1.00 0.00 N ATOM 312 CA ARG A 23 -3.310 -4.848 6.159 1.00 0.00 C ATOM 313 C ARG A 23 -2.680 -3.600 5.546 1.00 0.00 C ATOM 314 O ARG A 23 -2.566 -3.486 4.326 1.00 0.00 O ATOM 315 CB ARG A 23 -2.293 -5.991 6.174 1.00 0.00 C ATOM 316 CG ARG A 23 -1.362 -5.962 7.375 1.00 0.00 C ATOM 317 CD ARG A 23 -0.140 -6.839 7.154 1.00 0.00 C ATOM 318 NE ARG A 23 0.935 -6.120 6.474 1.00 0.00 N ATOM 319 CZ ARG A 23 1.627 -5.134 7.034 1.00 0.00 C ATOM 320 NH1 ARG A 23 1.360 -4.753 8.275 1.00 0.00 N ATOM 321 NH2 ARG A 23 2.590 -4.528 6.351 1.00 0.00 N ATOM 0 H ARG A 23 -4.684 -4.691 4.583 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.605 -4.619 7.183 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.827 -6.941 6.162 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.697 -5.948 5.262 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.045 -4.937 7.567 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.899 -6.301 8.261 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.221 -7.206 8.115 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.422 -7.711 6.565 1.00 0.00 H new ATOM 0 HE ARG A 23 1.167 -6.390 5.518 1.00 0.00 H new ATOM 0 HH11 ARG A 23 0.621 -5.217 8.803 1.00 0.00 H new ATOM 0 HH12 ARG A 23 1.893 -3.996 8.702 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.799 -4.819 5.396 1.00 0.00 H new ATOM 0 HH22 ARG A 23 3.121 -3.771 6.781 1.00 0.00 H new ATOM 335 N ARG A 24 -2.274 -2.668 6.402 1.00 0.00 N ATOM 336 CA ARG A 24 -1.658 -1.428 5.945 1.00 0.00 C ATOM 337 C ARG A 24 -0.288 -1.233 6.586 1.00 0.00 C ATOM 338 O ARG A 24 -0.142 -1.329 7.804 1.00 0.00 O ATOM 339 CB ARG A 24 -2.560 -0.235 6.271 1.00 0.00 C ATOM 340 CG ARG A 24 -2.974 -0.166 7.731 1.00 0.00 C ATOM 341 CD ARG A 24 -3.948 0.974 7.981 1.00 0.00 C ATOM 342 NE ARG A 24 -3.828 1.512 9.333 1.00 0.00 N ATOM 343 CZ ARG A 24 -4.719 2.331 9.881 1.00 0.00 C ATOM 344 NH1 ARG A 24 -5.790 2.704 9.195 1.00 0.00 N ATOM 345 NH2 ARG A 24 -4.540 2.777 11.117 1.00 0.00 N ATOM 0 H ARG A 24 -2.360 -2.748 7.415 1.00 0.00 H new ATOM 0 HA ARG A 24 -1.529 -1.493 4.865 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.040 0.686 6.006 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -3.455 -0.286 5.650 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.434 -1.110 8.025 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.090 -0.034 8.355 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.768 1.769 7.258 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.967 0.622 7.821 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.015 1.244 9.888 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.931 2.362 8.244 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.473 3.333 9.618 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -3.717 2.491 11.648 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -5.225 3.406 11.536 1.00 0.00 H new ATOM 359 N GLY A 25 0.715 -0.960 5.757 1.00 0.00 N ATOM 360 CA GLY A 25 2.061 -0.757 6.261 1.00 0.00 C ATOM 361 C GLY A 25 2.942 -0.011 5.279 1.00 0.00 C ATOM 362 O GLY A 25 2.716 -0.063 4.070 1.00 0.00 O ATOM 0 H GLY A 25 0.619 -0.876 4.745 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.015 -0.201 7.198 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.511 -1.724 6.486 1.00 0.00 H new ATOM 366 N TRP A 26 3.946 0.685 5.798 1.00 0.00 N ATOM 367 CA TRP A 26 4.863 1.447 4.957 1.00 0.00 C ATOM 368 C TRP A 26 5.611 0.528 3.998 1.00 0.00 C ATOM 369 O TRP A 26 6.577 -0.133 4.381 1.00 0.00 O ATOM 370 CB TRP A 26 5.859 2.220 5.824 1.00 0.00 C ATOM 371 CG TRP A 26 5.224 3.319 6.621 1.00 0.00 C ATOM 372 CD1 TRP A 26 4.755 3.236 7.901 1.00 0.00 C ATOM 373 CD2 TRP A 26 4.987 4.663 6.191 1.00 0.00 C ATOM 374 NE1 TRP A 26 4.241 4.449 8.293 1.00 0.00 N ATOM 375 CE2 TRP A 26 4.372 5.341 7.262 1.00 0.00 C ATOM 376 CE3 TRP A 26 5.237 5.362 5.007 1.00 0.00 C ATOM 377 CZ2 TRP A 26 4.004 6.681 7.181 1.00 0.00 C ATOM 378 CZ3 TRP A 26 4.870 6.692 4.928 1.00 0.00 C ATOM 379 CH2 TRP A 26 4.260 7.341 6.009 1.00 0.00 C ATOM 0 H TRP A 26 4.147 0.738 6.797 1.00 0.00 H new ATOM 0 HA TRP A 26 4.277 2.155 4.370 1.00 0.00 H new ATOM 0 HB2 TRP A 26 6.353 1.526 6.504 1.00 0.00 H new ATOM 0 HB3 TRP A 26 6.633 2.645 5.185 1.00 0.00 H new ATOM 0 HD1 TRP A 26 4.784 2.348 8.515 1.00 0.00 H new ATOM 0 HE1 TRP A 26 3.829 4.652 9.204 1.00 0.00 H new ATOM 0 HE3 TRP A 26 5.709 4.871 4.168 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 3.533 7.183 8.013 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 5.057 7.241 4.017 1.00 0.00 H new ATOM 0 HH2 TRP A 26 3.986 8.382 5.916 1.00 0.00 H new ATOM 390 N LEU A 27 5.161 0.492 2.748 1.00 0.00 N ATOM 391 CA LEU A 27 5.789 -0.345 1.733 1.00 0.00 C ATOM 392 C LEU A 27 6.710 0.480 0.839 1.00 0.00 C ATOM 393 O LEU A 27 6.437 1.647 0.559 1.00 0.00 O ATOM 394 CB LEU A 27 4.722 -1.038 0.883 1.00 0.00 C ATOM 395 CG LEU A 27 5.215 -2.160 -0.030 1.00 0.00 C ATOM 396 CD1 LEU A 27 5.780 -3.309 0.792 1.00 0.00 C ATOM 397 CD2 LEU A 27 4.090 -2.649 -0.930 1.00 0.00 C ATOM 0 H LEU A 27 4.363 1.033 2.414 1.00 0.00 H new ATOM 0 HA LEU A 27 6.388 -1.101 2.241 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.964 -1.447 1.551 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.231 -0.285 0.267 1.00 0.00 H new ATOM 0 HG LEU A 27 6.012 -1.765 -0.660 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.126 -4.098 0.125 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.615 -2.950 1.393 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.004 -3.703 1.448 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.460 -3.448 -1.573 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.271 -3.026 -0.317 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.732 -1.824 -1.546 1.00 0.00 H new ATOM 409 N TYR A 28 7.800 -0.135 0.394 1.00 0.00 N ATOM 410 CA TYR A 28 8.761 0.542 -0.468 1.00 0.00 C ATOM 411 C TYR A 28 8.473 0.254 -1.938 1.00 0.00 C ATOM 412 O TYR A 28 8.185 -0.882 -2.316 1.00 0.00 O ATOM 413 CB TYR A 28 10.186 0.105 -0.121 1.00 0.00 C ATOM 414 CG TYR A 28 10.541 0.301 1.336 1.00 0.00 C ATOM 415 CD1 TYR A 28 10.851 1.561 1.833 1.00 0.00 C ATOM 416 CD2 TYR A 28 10.565 -0.774 2.216 1.00 0.00 C ATOM 417 CE1 TYR A 28 11.176 1.744 3.163 1.00 0.00 C ATOM 418 CE2 TYR A 28 10.889 -0.600 3.548 1.00 0.00 C ATOM 419 CZ TYR A 28 11.194 0.660 4.016 1.00 0.00 C ATOM 420 OH TYR A 28 11.516 0.839 5.342 1.00 0.00 O ATOM 0 H TYR A 28 8.040 -1.101 0.616 1.00 0.00 H new ATOM 0 HA TYR A 28 8.666 1.615 -0.302 1.00 0.00 H new ATOM 0 HB2 TYR A 28 10.307 -0.947 -0.377 1.00 0.00 H new ATOM 0 HB3 TYR A 28 10.889 0.666 -0.736 1.00 0.00 H new ATOM 0 HD1 TYR A 28 10.838 2.412 1.168 1.00 0.00 H new ATOM 0 HD2 TYR A 28 10.326 -1.763 1.853 1.00 0.00 H new ATOM 0 HE1 TYR A 28 11.415 2.730 3.533 1.00 0.00 H new ATOM 0 HE2 TYR A 28 10.903 -1.447 4.219 1.00 0.00 H new ATOM 0 HH TYR A 28 11.482 -0.023 5.806 1.00 0.00 H new ATOM 430 N LYS A 29 8.554 1.291 -2.764 1.00 0.00 N ATOM 431 CA LYS A 29 8.305 1.152 -4.194 1.00 0.00 C ATOM 432 C LYS A 29 9.496 1.651 -5.005 1.00 0.00 C ATOM 433 O LYS A 29 10.249 2.513 -4.553 1.00 0.00 O ATOM 434 CB LYS A 29 7.045 1.925 -4.591 1.00 0.00 C ATOM 435 CG LYS A 29 6.581 1.646 -6.010 1.00 0.00 C ATOM 436 CD LYS A 29 5.092 1.903 -6.170 1.00 0.00 C ATOM 437 CE LYS A 29 4.806 3.375 -6.430 1.00 0.00 C ATOM 438 NZ LYS A 29 5.333 3.818 -7.750 1.00 0.00 N ATOM 0 H LYS A 29 8.790 2.238 -2.468 1.00 0.00 H new ATOM 0 HA LYS A 29 8.158 0.094 -4.410 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.241 1.673 -3.899 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.235 2.993 -4.483 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.137 2.275 -6.706 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.802 0.611 -6.269 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.705 1.305 -6.995 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.567 1.583 -5.270 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.731 3.548 -6.392 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.254 3.977 -5.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.800 4.650 -8.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.339 4.065 -7.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.228 3.048 -8.442 1.00 0.00 H new ATOM 571 N TRP A 38 14.583 2.807 -3.922 1.00 0.00 N ATOM 572 CA TRP A 38 13.347 2.486 -3.217 1.00 0.00 C ATOM 573 C TRP A 38 12.839 3.690 -2.432 1.00 0.00 C ATOM 574 O TRP A 38 13.560 4.258 -1.611 1.00 0.00 O ATOM 575 CB TRP A 38 13.567 1.302 -2.274 1.00 0.00 C ATOM 576 CG TRP A 38 14.151 0.101 -2.954 1.00 0.00 C ATOM 577 CD1 TRP A 38 15.476 -0.205 -3.082 1.00 0.00 C ATOM 578 CD2 TRP A 38 13.429 -0.953 -3.602 1.00 0.00 C ATOM 579 NE1 TRP A 38 15.621 -1.386 -3.770 1.00 0.00 N ATOM 580 CE2 TRP A 38 14.381 -1.865 -4.099 1.00 0.00 C ATOM 581 CE3 TRP A 38 12.073 -1.216 -3.808 1.00 0.00 C ATOM 582 CZ2 TRP A 38 14.017 -3.018 -4.789 1.00 0.00 C ATOM 583 CZ3 TRP A 38 11.713 -2.361 -4.493 1.00 0.00 C ATOM 584 CH2 TRP A 38 12.681 -3.250 -4.977 1.00 0.00 C ATOM 0 HA TRP A 38 12.595 2.216 -3.958 1.00 0.00 H new ATOM 0 HB2 TRP A 38 14.229 1.610 -1.464 1.00 0.00 H new ATOM 0 HB3 TRP A 38 12.615 1.027 -1.820 1.00 0.00 H new ATOM 0 HD1 TRP A 38 16.290 0.393 -2.699 1.00 0.00 H new ATOM 0 HE1 TRP A 38 16.509 -1.833 -3.999 1.00 0.00 H new ATOM 0 HE3 TRP A 38 11.319 -0.537 -3.439 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 14.762 -3.705 -5.163 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 10.667 -2.574 -4.658 1.00 0.00 H new ATOM 0 HH2 TRP A 38 12.367 -4.136 -5.509 1.00 0.00 H new ATOM 595 N LYS A 39 11.593 4.075 -2.688 1.00 0.00 N ATOM 596 CA LYS A 39 10.987 5.211 -2.004 1.00 0.00 C ATOM 597 C LYS A 39 10.161 4.749 -0.809 1.00 0.00 C ATOM 598 O LYS A 39 9.854 3.564 -0.674 1.00 0.00 O ATOM 599 CB LYS A 39 10.105 6.004 -2.972 1.00 0.00 C ATOM 600 CG LYS A 39 10.851 7.095 -3.720 1.00 0.00 C ATOM 601 CD LYS A 39 11.427 6.581 -5.028 1.00 0.00 C ATOM 602 CE LYS A 39 12.834 6.033 -4.841 1.00 0.00 C ATOM 603 NZ LYS A 39 13.543 5.870 -6.140 1.00 0.00 N ATOM 0 H LYS A 39 10.983 3.616 -3.365 1.00 0.00 H new ATOM 0 HA LYS A 39 11.788 5.855 -1.642 1.00 0.00 H new ATOM 0 HB2 LYS A 39 9.663 5.317 -3.694 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.283 6.454 -2.416 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.176 7.927 -3.921 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.655 7.482 -3.094 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.781 5.800 -5.429 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.444 7.388 -5.761 1.00 0.00 H new ATOM 0 HE2 LYS A 39 13.403 6.705 -4.199 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.784 5.071 -4.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 14.498 5.495 -5.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.014 5.209 -6.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 13.613 6.792 -6.615 1.00 0.00 H new ATOM 617 N LYS A 40 9.802 5.691 0.057 1.00 0.00 N ATOM 618 CA LYS A 40 9.008 5.382 1.240 1.00 0.00 C ATOM 619 C LYS A 40 7.659 6.092 1.191 1.00 0.00 C ATOM 620 O LYS A 40 7.594 7.311 1.032 1.00 0.00 O ATOM 621 CB LYS A 40 9.765 5.788 2.507 1.00 0.00 C ATOM 622 CG LYS A 40 8.935 5.671 3.774 1.00 0.00 C ATOM 623 CD LYS A 40 9.006 4.270 4.360 1.00 0.00 C ATOM 624 CE LYS A 40 8.468 4.233 5.782 1.00 0.00 C ATOM 625 NZ LYS A 40 8.707 2.914 6.431 1.00 0.00 N ATOM 0 H LYS A 40 10.049 6.676 -0.039 1.00 0.00 H new ATOM 0 HA LYS A 40 8.832 4.307 1.258 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.653 5.164 2.605 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.109 6.817 2.401 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.289 6.393 4.510 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.897 5.923 3.555 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.434 3.584 3.735 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.039 3.923 4.352 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.942 5.019 6.370 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.399 4.444 5.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.069 2.807 7.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.526 2.152 5.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.694 2.860 6.756 1.00 0.00 H new ATOM 639 N ARG A 41 6.585 5.322 1.331 1.00 0.00 N ATOM 640 CA ARG A 41 5.238 5.877 1.302 1.00 0.00 C ATOM 641 C ARG A 41 4.256 4.960 2.026 1.00 0.00 C ATOM 642 O ARG A 41 4.483 3.755 2.136 1.00 0.00 O ATOM 643 CB ARG A 41 4.782 6.092 -0.142 1.00 0.00 C ATOM 644 CG ARG A 41 3.730 7.180 -0.293 1.00 0.00 C ATOM 645 CD ARG A 41 4.366 8.540 -0.531 1.00 0.00 C ATOM 646 NE ARG A 41 4.753 9.190 0.718 1.00 0.00 N ATOM 647 CZ ARG A 41 5.085 10.473 0.808 1.00 0.00 C ATOM 648 NH1 ARG A 41 5.077 11.240 -0.274 1.00 0.00 N ATOM 649 NH2 ARG A 41 5.425 10.992 1.981 1.00 0.00 N ATOM 0 H ARG A 41 6.622 4.312 1.466 1.00 0.00 H new ATOM 0 HA ARG A 41 5.258 6.838 1.816 1.00 0.00 H new ATOM 0 HB2 ARG A 41 5.648 6.348 -0.753 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.383 5.156 -0.531 1.00 0.00 H new ATOM 0 HG2 ARG A 41 3.069 6.936 -1.125 1.00 0.00 H new ATOM 0 HG3 ARG A 41 3.113 7.218 0.604 1.00 0.00 H new ATOM 0 HD2 ARG A 41 5.244 8.423 -1.166 1.00 0.00 H new ATOM 0 HD3 ARG A 41 3.666 9.178 -1.070 1.00 0.00 H new ATOM 0 HE ARG A 41 4.769 8.628 1.569 1.00 0.00 H new ATOM 0 HH11 ARG A 41 4.816 10.845 -1.177 1.00 0.00 H new ATOM 0 HH12 ARG A 41 5.332 12.225 -0.203 1.00 0.00 H new ATOM 0 HH21 ARG A 41 5.432 10.406 2.815 1.00 0.00 H new ATOM 0 HH22 ARG A 41 5.680 11.977 2.048 1.00 0.00 H new ATOM 663 N TRP A 42 3.166 5.539 2.517 1.00 0.00 N ATOM 664 CA TRP A 42 2.150 4.774 3.231 1.00 0.00 C ATOM 665 C TRP A 42 1.231 4.047 2.255 1.00 0.00 C ATOM 666 O TRP A 42 0.614 4.667 1.389 1.00 0.00 O ATOM 667 CB TRP A 42 1.329 5.695 4.134 1.00 0.00 C ATOM 668 CG TRP A 42 0.349 4.961 4.998 1.00 0.00 C ATOM 669 CD1 TRP A 42 -1.007 5.123 5.019 1.00 0.00 C ATOM 670 CD2 TRP A 42 0.649 3.950 5.967 1.00 0.00 C ATOM 671 NE1 TRP A 42 -1.568 4.274 5.943 1.00 0.00 N ATOM 672 CE2 TRP A 42 -0.573 3.543 6.537 1.00 0.00 C ATOM 673 CE3 TRP A 42 1.831 3.348 6.407 1.00 0.00 C ATOM 674 CZ2 TRP A 42 -0.644 2.564 7.524 1.00 0.00 C ATOM 675 CZ3 TRP A 42 1.759 2.376 7.386 1.00 0.00 C ATOM 676 CH2 TRP A 42 0.529 1.991 7.936 1.00 0.00 C ATOM 0 H TRP A 42 2.963 6.535 2.434 1.00 0.00 H new ATOM 0 HA TRP A 42 2.656 4.031 3.847 1.00 0.00 H new ATOM 0 HB2 TRP A 42 2.006 6.266 4.769 1.00 0.00 H new ATOM 0 HB3 TRP A 42 0.790 6.413 3.515 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -1.558 5.816 4.400 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -2.564 4.200 6.152 1.00 0.00 H new ATOM 0 HE3 TRP A 42 2.784 3.638 5.989 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -1.591 2.267 7.950 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 2.666 1.905 7.734 1.00 0.00 H new ATOM 0 HH2 TRP A 42 0.506 1.228 8.700 1.00 0.00 H new ATOM 687 N PHE A 43 1.144 2.729 2.401 1.00 0.00 N ATOM 688 CA PHE A 43 0.300 1.917 1.532 1.00 0.00 C ATOM 689 C PHE A 43 -0.824 1.259 2.325 1.00 0.00 C ATOM 690 O PHE A 43 -0.777 1.194 3.554 1.00 0.00 O ATOM 691 CB PHE A 43 1.137 0.847 0.828 1.00 0.00 C ATOM 692 CG PHE A 43 1.759 1.320 -0.455 1.00 0.00 C ATOM 693 CD1 PHE A 43 2.971 1.990 -0.447 1.00 0.00 C ATOM 694 CD2 PHE A 43 1.131 1.094 -1.669 1.00 0.00 C ATOM 695 CE1 PHE A 43 3.547 2.427 -1.625 1.00 0.00 C ATOM 696 CE2 PHE A 43 1.702 1.527 -2.851 1.00 0.00 C ATOM 697 CZ PHE A 43 2.911 2.196 -2.829 1.00 0.00 C ATOM 0 H PHE A 43 1.648 2.200 3.113 1.00 0.00 H new ATOM 0 HA PHE A 43 -0.144 2.573 0.783 1.00 0.00 H new ATOM 0 HB2 PHE A 43 1.925 0.512 1.502 1.00 0.00 H new ATOM 0 HB3 PHE A 43 0.506 -0.017 0.620 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.473 2.173 0.492 1.00 0.00 H new ATOM 0 HD2 PHE A 43 0.185 0.574 -1.692 1.00 0.00 H new ATOM 0 HE1 PHE A 43 4.493 2.948 -1.604 1.00 0.00 H new ATOM 0 HE2 PHE A 43 1.204 1.343 -3.791 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.357 2.537 -3.751 1.00 0.00 H new ATOM 707 N VAL A 44 -1.836 0.772 1.614 1.00 0.00 N ATOM 708 CA VAL A 44 -2.974 0.119 2.250 1.00 0.00 C ATOM 709 C VAL A 44 -3.611 -0.905 1.318 1.00 0.00 C ATOM 710 O VAL A 44 -3.805 -0.644 0.130 1.00 0.00 O ATOM 711 CB VAL A 44 -4.042 1.142 2.678 1.00 0.00 C ATOM 712 CG1 VAL A 44 -5.270 0.434 3.230 1.00 0.00 C ATOM 713 CG2 VAL A 44 -3.470 2.111 3.702 1.00 0.00 C ATOM 0 H VAL A 44 -1.891 0.817 0.596 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.593 -0.388 3.136 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.346 1.713 1.800 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.014 1.174 3.527 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.691 -0.216 2.463 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.987 -0.164 4.096 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.238 2.827 3.994 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.137 1.558 4.580 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.624 2.643 3.267 1.00 0.00 H new ATOM 723 N LEU A 45 -3.937 -2.072 1.864 1.00 0.00 N ATOM 724 CA LEU A 45 -4.554 -3.137 1.081 1.00 0.00 C ATOM 725 C LEU A 45 -6.034 -3.277 1.424 1.00 0.00 C ATOM 726 O LEU A 45 -6.394 -3.897 2.424 1.00 0.00 O ATOM 727 CB LEU A 45 -3.834 -4.463 1.330 1.00 0.00 C ATOM 728 CG LEU A 45 -3.826 -5.452 0.164 1.00 0.00 C ATOM 729 CD1 LEU A 45 -5.157 -6.184 0.077 1.00 0.00 C ATOM 730 CD2 LEU A 45 -3.524 -4.734 -1.143 1.00 0.00 C ATOM 0 H LEU A 45 -3.784 -2.304 2.845 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.467 -2.876 0.026 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.801 -4.247 1.604 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.297 -4.949 2.189 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.041 -6.187 0.341 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.133 -6.884 -0.758 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.333 -6.731 1.003 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.960 -5.463 -0.076 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.522 -5.454 -1.962 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.286 -3.977 -1.327 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.546 -4.256 -1.078 1.00 0.00 H new ATOM 742 N SER A 46 -6.888 -2.698 0.585 1.00 0.00 N ATOM 743 CA SER A 46 -8.329 -2.757 0.800 1.00 0.00 C ATOM 744 C SER A 46 -9.070 -2.901 -0.526 1.00 0.00 C ATOM 745 O SER A 46 -8.597 -2.445 -1.567 1.00 0.00 O ATOM 746 CB SER A 46 -8.808 -1.502 1.532 1.00 0.00 C ATOM 747 OG SER A 46 -10.191 -1.583 1.832 1.00 0.00 O ATOM 0 H SER A 46 -6.607 -2.183 -0.249 1.00 0.00 H new ATOM 0 HA SER A 46 -8.545 -3.631 1.414 1.00 0.00 H new ATOM 0 HB2 SER A 46 -8.240 -1.375 2.453 1.00 0.00 H new ATOM 0 HB3 SER A 46 -8.617 -0.623 0.916 1.00 0.00 H new ATOM 0 HG SER A 46 -10.472 -0.770 2.301 1.00 0.00 H new ATOM 753 N ASP A 47 -10.235 -3.537 -0.478 1.00 0.00 N ATOM 754 CA ASP A 47 -11.044 -3.741 -1.674 1.00 0.00 C ATOM 755 C ASP A 47 -10.218 -4.376 -2.788 1.00 0.00 C ATOM 756 O ASP A 47 -10.367 -4.032 -3.961 1.00 0.00 O ATOM 757 CB ASP A 47 -11.630 -2.411 -2.152 1.00 0.00 C ATOM 758 CG ASP A 47 -12.666 -2.594 -3.244 1.00 0.00 C ATOM 759 OD1 ASP A 47 -13.555 -3.455 -3.080 1.00 0.00 O ATOM 760 OD2 ASP A 47 -12.586 -1.877 -4.264 1.00 0.00 O ATOM 0 H ASP A 47 -10.640 -3.920 0.376 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.859 -4.418 -1.420 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -12.084 -1.893 -1.307 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.826 -1.775 -2.521 1.00 0.00 H new ATOM 765 N LEU A 48 -9.345 -5.305 -2.413 1.00 0.00 N ATOM 766 CA LEU A 48 -8.492 -5.988 -3.379 1.00 0.00 C ATOM 767 C LEU A 48 -7.793 -4.987 -4.293 1.00 0.00 C ATOM 768 O LEU A 48 -7.637 -5.227 -5.491 1.00 0.00 O ATOM 769 CB LEU A 48 -9.319 -6.967 -4.215 1.00 0.00 C ATOM 770 CG LEU A 48 -10.144 -7.989 -3.432 1.00 0.00 C ATOM 771 CD1 LEU A 48 -11.229 -8.588 -4.313 1.00 0.00 C ATOM 772 CD2 LEU A 48 -9.245 -9.082 -2.871 1.00 0.00 C ATOM 0 H LEU A 48 -9.210 -5.602 -1.447 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.731 -6.541 -2.828 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -9.995 -6.392 -4.847 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.644 -7.507 -4.879 1.00 0.00 H new ATOM 0 HG LEU A 48 -10.624 -7.477 -2.598 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -11.805 -9.313 -3.738 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -11.890 -7.796 -4.665 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -10.770 -9.085 -5.168 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.849 -9.801 -2.317 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.736 -9.591 -3.690 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.506 -8.638 -2.204 1.00 0.00 H new ATOM 784 N CYS A 49 -7.371 -3.866 -3.719 1.00 0.00 N ATOM 785 CA CYS A 49 -6.686 -2.828 -4.481 1.00 0.00 C ATOM 786 C CYS A 49 -5.587 -2.176 -3.647 1.00 0.00 C ATOM 787 O CYS A 49 -5.496 -2.398 -2.439 1.00 0.00 O ATOM 788 CB CYS A 49 -7.684 -1.768 -4.950 1.00 0.00 C ATOM 789 SG CYS A 49 -7.102 -0.771 -6.342 1.00 0.00 S ATOM 0 H CYS A 49 -7.491 -3.653 -2.729 1.00 0.00 H new ATOM 0 HA CYS A 49 -6.227 -3.295 -5.352 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -8.614 -2.260 -5.233 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -7.915 -1.107 -4.115 1.00 0.00 H new ATOM 0 HG CYS A 49 -5.932 -1.194 -6.719 1.00 0.00 H new ATOM 795 N LEU A 50 -4.755 -1.373 -4.300 1.00 0.00 N ATOM 796 CA LEU A 50 -3.660 -0.690 -3.619 1.00 0.00 C ATOM 797 C LEU A 50 -3.930 0.808 -3.522 1.00 0.00 C ATOM 798 O LEU A 50 -4.312 1.446 -4.503 1.00 0.00 O ATOM 799 CB LEU A 50 -2.342 -0.935 -4.356 1.00 0.00 C ATOM 800 CG LEU A 50 -1.561 -2.181 -3.937 1.00 0.00 C ATOM 801 CD1 LEU A 50 -0.338 -2.367 -4.822 1.00 0.00 C ATOM 802 CD2 LEU A 50 -1.154 -2.088 -2.474 1.00 0.00 C ATOM 0 H LEU A 50 -4.817 -1.179 -5.299 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.585 -1.094 -2.609 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.553 -1.005 -5.423 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.702 -0.064 -4.214 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.208 -3.050 -4.059 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.205 -3.259 -4.509 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.653 -2.480 -5.859 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.312 -1.496 -4.733 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.599 -2.983 -2.193 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.525 -1.210 -2.326 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.046 -2.004 -1.853 1.00 0.00 H new ATOM 814 N PHE A 51 -3.726 1.365 -2.332 1.00 0.00 N ATOM 815 CA PHE A 51 -3.946 2.789 -2.107 1.00 0.00 C ATOM 816 C PHE A 51 -2.889 3.360 -1.167 1.00 0.00 C ATOM 817 O PHE A 51 -2.563 2.759 -0.143 1.00 0.00 O ATOM 818 CB PHE A 51 -5.343 3.025 -1.527 1.00 0.00 C ATOM 819 CG PHE A 51 -6.452 2.580 -2.436 1.00 0.00 C ATOM 820 CD1 PHE A 51 -6.739 3.281 -3.596 1.00 0.00 C ATOM 821 CD2 PHE A 51 -7.210 1.461 -2.130 1.00 0.00 C ATOM 822 CE1 PHE A 51 -7.759 2.874 -4.435 1.00 0.00 C ATOM 823 CE2 PHE A 51 -8.231 1.049 -2.965 1.00 0.00 C ATOM 824 CZ PHE A 51 -8.507 1.757 -4.118 1.00 0.00 C ATOM 0 H PHE A 51 -3.409 0.852 -1.509 1.00 0.00 H new ATOM 0 HA PHE A 51 -3.868 3.300 -3.066 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.428 2.496 -0.578 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.464 4.087 -1.312 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -6.159 4.156 -3.848 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -7.000 0.904 -1.228 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -7.971 3.429 -5.337 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -8.813 0.174 -2.716 1.00 0.00 H new ATOM 0 HZ PHE A 51 -9.306 1.438 -4.771 1.00 0.00 H new ATOM 834 N TYR A 52 -2.358 4.525 -1.522 1.00 0.00 N ATOM 835 CA TYR A 52 -1.336 5.177 -0.712 1.00 0.00 C ATOM 836 C TYR A 52 -1.651 6.658 -0.526 1.00 0.00 C ATOM 837 O TYR A 52 -2.439 7.236 -1.275 1.00 0.00 O ATOM 838 CB TYR A 52 0.039 5.015 -1.362 1.00 0.00 C ATOM 839 CG TYR A 52 0.048 5.316 -2.843 1.00 0.00 C ATOM 840 CD1 TYR A 52 0.270 6.607 -3.308 1.00 0.00 C ATOM 841 CD2 TYR A 52 -0.166 4.311 -3.778 1.00 0.00 C ATOM 842 CE1 TYR A 52 0.279 6.887 -4.661 1.00 0.00 C ATOM 843 CE2 TYR A 52 -0.158 4.582 -5.133 1.00 0.00 C ATOM 844 CZ TYR A 52 0.065 5.871 -5.569 1.00 0.00 C ATOM 845 OH TYR A 52 0.072 6.146 -6.918 1.00 0.00 O ATOM 0 H TYR A 52 -2.618 5.037 -2.365 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.326 4.700 0.268 1.00 0.00 H new ATOM 0 HB2 TYR A 52 0.748 5.674 -0.862 1.00 0.00 H new ATOM 0 HB3 TYR A 52 0.388 3.994 -1.205 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.438 7.405 -2.600 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.342 3.300 -3.440 1.00 0.00 H new ATOM 0 HE1 TYR A 52 0.453 7.896 -5.006 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -0.325 3.789 -5.846 1.00 0.00 H new ATOM 0 HH TYR A 52 -0.093 5.321 -7.421 1.00 0.00 H new ATOM 855 N TYR A 53 -1.031 7.266 0.479 1.00 0.00 N ATOM 856 CA TYR A 53 -1.245 8.680 0.767 1.00 0.00 C ATOM 857 C TYR A 53 0.044 9.340 1.246 1.00 0.00 C ATOM 858 O TYR A 53 0.962 8.667 1.714 1.00 0.00 O ATOM 859 CB TYR A 53 -2.340 8.846 1.822 1.00 0.00 C ATOM 860 CG TYR A 53 -3.467 7.847 1.689 1.00 0.00 C ATOM 861 CD1 TYR A 53 -3.239 6.487 1.858 1.00 0.00 C ATOM 862 CD2 TYR A 53 -4.759 8.263 1.395 1.00 0.00 C ATOM 863 CE1 TYR A 53 -4.265 5.570 1.736 1.00 0.00 C ATOM 864 CE2 TYR A 53 -5.792 7.353 1.274 1.00 0.00 C ATOM 865 CZ TYR A 53 -5.540 6.008 1.445 1.00 0.00 C ATOM 866 OH TYR A 53 -6.565 5.098 1.324 1.00 0.00 O ATOM 0 H TYR A 53 -0.376 6.802 1.108 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.560 9.169 -0.155 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -1.896 8.750 2.813 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.749 9.854 1.753 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -2.242 6.141 2.089 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -4.960 9.315 1.259 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -4.070 4.516 1.868 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -6.791 7.693 1.047 1.00 0.00 H new ATOM 0 HH TYR A 53 -7.399 5.570 1.118 1.00 0.00 H new ATOM 876 N ARG A 54 0.103 10.662 1.126 1.00 0.00 N ATOM 877 CA ARG A 54 1.279 11.415 1.546 1.00 0.00 C ATOM 878 C ARG A 54 1.905 10.795 2.793 1.00 0.00 C ATOM 879 O ARG A 54 3.110 10.550 2.838 1.00 0.00 O ATOM 880 CB ARG A 54 0.906 12.873 1.821 1.00 0.00 C ATOM 881 CG ARG A 54 -0.069 13.453 0.810 1.00 0.00 C ATOM 882 CD ARG A 54 -1.511 13.273 1.261 1.00 0.00 C ATOM 883 NE ARG A 54 -1.982 14.407 2.052 1.00 0.00 N ATOM 884 CZ ARG A 54 -2.287 15.590 1.531 1.00 0.00 C ATOM 885 NH1 ARG A 54 -2.172 15.794 0.226 1.00 0.00 N ATOM 886 NH2 ARG A 54 -2.709 16.573 2.316 1.00 0.00 N ATOM 0 H ARG A 54 -0.649 11.234 0.742 1.00 0.00 H new ATOM 0 HA ARG A 54 2.009 11.380 0.738 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.470 12.946 2.817 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.814 13.477 1.826 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.140 14.513 0.668 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.075 12.968 -0.156 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.151 13.149 0.388 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.595 12.360 1.850 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.082 14.284 3.060 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.848 15.041 -0.381 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.407 16.704 -0.171 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -2.799 16.420 3.320 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -2.943 17.481 1.915 1.00 0.00 H new ATOM 900 N ASP A 55 1.077 10.546 3.802 1.00 0.00 N ATOM 901 CA ASP A 55 1.549 9.955 5.049 1.00 0.00 C ATOM 902 C ASP A 55 0.491 9.032 5.646 1.00 0.00 C ATOM 903 O ASP A 55 -0.616 8.920 5.122 1.00 0.00 O ATOM 904 CB ASP A 55 1.913 11.050 6.052 1.00 0.00 C ATOM 905 CG ASP A 55 2.899 12.052 5.482 1.00 0.00 C ATOM 906 OD1 ASP A 55 4.081 11.689 5.309 1.00 0.00 O ATOM 907 OD2 ASP A 55 2.487 13.198 5.209 1.00 0.00 O ATOM 0 H ASP A 55 0.077 10.744 3.781 1.00 0.00 H new ATOM 0 HA ASP A 55 2.439 9.365 4.829 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.007 11.571 6.361 1.00 0.00 H new ATOM 0 HB3 ASP A 55 2.339 10.593 6.946 1.00 0.00 H new ATOM 912 N GLU A 56 0.842 8.372 6.746 1.00 0.00 N ATOM 913 CA GLU A 56 -0.077 7.458 7.413 1.00 0.00 C ATOM 914 C GLU A 56 -1.416 8.137 7.689 1.00 0.00 C ATOM 915 O GLU A 56 -2.447 7.475 7.811 1.00 0.00 O ATOM 916 CB GLU A 56 0.531 6.955 8.724 1.00 0.00 C ATOM 917 CG GLU A 56 1.029 8.068 9.631 1.00 0.00 C ATOM 918 CD GLU A 56 1.981 7.567 10.700 1.00 0.00 C ATOM 919 OE1 GLU A 56 3.058 7.049 10.337 1.00 0.00 O ATOM 920 OE2 GLU A 56 1.650 7.694 11.897 1.00 0.00 O ATOM 0 H GLU A 56 1.755 8.454 7.193 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.249 6.610 6.751 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.216 6.368 9.259 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.360 6.285 8.497 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.531 8.825 9.029 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.177 8.553 10.107 1.00 0.00 H new ATOM 927 N LYS A 57 -1.392 9.462 7.786 1.00 0.00 N ATOM 928 CA LYS A 57 -2.602 10.233 8.046 1.00 0.00 C ATOM 929 C LYS A 57 -3.726 9.816 7.103 1.00 0.00 C ATOM 930 O LYS A 57 -4.904 9.995 7.409 1.00 0.00 O ATOM 931 CB LYS A 57 -2.321 11.729 7.892 1.00 0.00 C ATOM 932 CG LYS A 57 -1.238 12.244 8.824 1.00 0.00 C ATOM 933 CD LYS A 57 -1.812 12.663 10.167 1.00 0.00 C ATOM 934 CE LYS A 57 -0.732 13.210 11.088 1.00 0.00 C ATOM 935 NZ LYS A 57 -1.306 13.789 12.334 1.00 0.00 N ATOM 0 H LYS A 57 -0.547 10.025 7.688 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.918 10.033 9.070 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.028 11.931 6.862 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.241 12.284 8.076 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.487 11.469 8.974 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.733 13.092 8.363 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.580 13.421 10.015 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.296 11.808 10.640 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.036 12.412 11.346 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -0.160 13.974 10.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.538 14.151 12.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.951 14.568 12.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.831 13.053 12.849 1.00 0.00 H new ATOM 949 N GLU A 58 -3.353 9.258 5.955 1.00 0.00 N ATOM 950 CA GLU A 58 -4.331 8.815 4.968 1.00 0.00 C ATOM 951 C GLU A 58 -5.178 9.986 4.478 1.00 0.00 C ATOM 952 O GLU A 58 -6.389 9.859 4.304 1.00 0.00 O ATOM 953 CB GLU A 58 -5.233 7.732 5.562 1.00 0.00 C ATOM 954 CG GLU A 58 -4.595 6.354 5.586 1.00 0.00 C ATOM 955 CD GLU A 58 -5.367 5.368 6.441 1.00 0.00 C ATOM 956 OE1 GLU A 58 -5.941 5.792 7.466 1.00 0.00 O ATOM 957 OE2 GLU A 58 -5.398 4.171 6.085 1.00 0.00 O ATOM 0 H GLU A 58 -2.382 9.102 5.686 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.789 8.400 4.118 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.505 8.015 6.579 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.157 7.685 4.986 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.528 5.971 4.568 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.576 6.436 5.964 1.00 0.00 H new ATOM 964 N GLU A 59 -4.530 11.127 4.260 1.00 0.00 N ATOM 965 CA GLU A 59 -5.224 12.321 3.792 1.00 0.00 C ATOM 966 C GLU A 59 -5.198 12.404 2.268 1.00 0.00 C ATOM 967 O GLU A 59 -4.191 12.788 1.674 1.00 0.00 O ATOM 968 CB GLU A 59 -4.588 13.576 4.393 1.00 0.00 C ATOM 969 CG GLU A 59 -4.495 13.545 5.909 1.00 0.00 C ATOM 970 CD GLU A 59 -5.850 13.390 6.574 1.00 0.00 C ATOM 971 OE1 GLU A 59 -6.286 12.235 6.767 1.00 0.00 O ATOM 972 OE2 GLU A 59 -6.473 14.421 6.899 1.00 0.00 O ATOM 0 H GLU A 59 -3.527 11.249 4.400 1.00 0.00 H new ATOM 0 HA GLU A 59 -6.262 12.257 4.117 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.588 13.700 3.979 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.169 14.448 4.091 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -3.849 12.721 6.213 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -4.026 14.464 6.259 1.00 0.00 H new ATOM 979 N GLY A 60 -6.313 12.040 1.642 1.00 0.00 N ATOM 980 CA GLY A 60 -6.397 12.079 0.194 1.00 0.00 C ATOM 981 C GLY A 60 -5.411 11.138 -0.470 1.00 0.00 C ATOM 982 O GLY A 60 -4.237 11.097 -0.100 1.00 0.00 O ATOM 0 H GLY A 60 -7.159 11.719 2.112 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.409 11.817 -0.115 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.212 13.096 -0.150 1.00 0.00 H new ATOM 986 N ILE A 61 -5.887 10.380 -1.452 1.00 0.00 N ATOM 987 CA ILE A 61 -5.039 9.435 -2.167 1.00 0.00 C ATOM 988 C ILE A 61 -4.287 10.122 -3.303 1.00 0.00 C ATOM 989 O ILE A 61 -4.878 10.848 -4.103 1.00 0.00 O ATOM 990 CB ILE A 61 -5.860 8.266 -2.743 1.00 0.00 C ATOM 991 CG1 ILE A 61 -6.496 7.455 -1.612 1.00 0.00 C ATOM 992 CG2 ILE A 61 -4.980 7.377 -3.609 1.00 0.00 C ATOM 993 CD1 ILE A 61 -7.553 6.482 -2.087 1.00 0.00 C ATOM 0 H ILE A 61 -6.856 10.402 -1.771 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.323 9.044 -1.444 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.657 8.673 -3.366 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.715 6.904 -1.088 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.942 8.140 -0.891 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.574 6.555 -4.009 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -4.570 7.962 -4.432 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.164 6.976 -3.007 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -7.960 5.942 -1.233 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -8.353 7.029 -2.586 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -7.108 5.773 -2.785 1.00 0.00 H new ATOM 1005 N LEU A 62 -2.982 9.886 -3.368 1.00 0.00 N ATOM 1006 CA LEU A 62 -2.148 10.480 -4.407 1.00 0.00 C ATOM 1007 C LEU A 62 -2.172 9.633 -5.675 1.00 0.00 C ATOM 1008 O LEU A 62 -1.722 10.069 -6.734 1.00 0.00 O ATOM 1009 CB LEU A 62 -0.710 10.634 -3.909 1.00 0.00 C ATOM 1010 CG LEU A 62 -0.540 10.849 -2.405 1.00 0.00 C ATOM 1011 CD1 LEU A 62 0.905 11.188 -2.074 1.00 0.00 C ATOM 1012 CD2 LEU A 62 -1.473 11.947 -1.915 1.00 0.00 C ATOM 0 H LEU A 62 -2.478 9.287 -2.714 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.551 11.465 -4.643 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.151 9.743 -4.194 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.255 11.476 -4.430 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.800 9.923 -1.893 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.007 11.338 -0.999 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.552 10.370 -2.389 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.193 12.100 -2.596 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.339 12.087 -0.842 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.244 12.878 -2.434 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.506 11.664 -2.117 1.00 0.00 H new ATOM 1024 N GLY A 63 -2.702 8.419 -5.560 1.00 0.00 N ATOM 1025 CA GLY A 63 -2.776 7.530 -6.704 1.00 0.00 C ATOM 1026 C GLY A 63 -3.137 6.110 -6.314 1.00 0.00 C ATOM 1027 O GLY A 63 -2.601 5.570 -5.346 1.00 0.00 O ATOM 0 H GLY A 63 -3.082 8.036 -4.694 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.517 7.910 -7.408 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.817 7.528 -7.221 1.00 0.00 H new ATOM 1031 N SER A 64 -4.050 5.505 -7.067 1.00 0.00 N ATOM 1032 CA SER A 64 -4.487 4.142 -6.791 1.00 0.00 C ATOM 1033 C SER A 64 -3.876 3.163 -7.789 1.00 0.00 C ATOM 1034 O SER A 64 -3.584 3.524 -8.929 1.00 0.00 O ATOM 1035 CB SER A 64 -6.013 4.052 -6.840 1.00 0.00 C ATOM 1036 OG SER A 64 -6.521 4.646 -8.023 1.00 0.00 O ATOM 0 H SER A 64 -4.501 5.938 -7.873 1.00 0.00 H new ATOM 0 HA SER A 64 -4.147 3.874 -5.791 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.321 3.007 -6.793 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.438 4.549 -5.968 1.00 0.00 H new ATOM 0 HG SER A 64 -7.498 4.574 -8.031 1.00 0.00 H new ATOM 1042 N ILE A 65 -3.686 1.923 -7.351 1.00 0.00 N ATOM 1043 CA ILE A 65 -3.111 0.891 -8.206 1.00 0.00 C ATOM 1044 C ILE A 65 -3.951 -0.381 -8.173 1.00 0.00 C ATOM 1045 O ILE A 65 -4.256 -0.909 -7.103 1.00 0.00 O ATOM 1046 CB ILE A 65 -1.669 0.552 -7.786 1.00 0.00 C ATOM 1047 CG1 ILE A 65 -0.710 1.656 -8.237 1.00 0.00 C ATOM 1048 CG2 ILE A 65 -1.250 -0.790 -8.367 1.00 0.00 C ATOM 1049 CD1 ILE A 65 0.675 1.534 -7.642 1.00 0.00 C ATOM 0 H ILE A 65 -3.922 1.608 -6.410 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.101 1.290 -9.220 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.630 0.484 -6.699 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.632 1.637 -9.324 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.130 2.624 -7.964 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.228 -1.016 -8.061 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.919 -1.569 -8.002 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.302 -0.748 -9.455 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.300 2.349 -8.006 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.610 1.584 -6.555 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.115 0.581 -7.936 1.00 0.00 H new ATOM 1061 N LEU A 66 -4.320 -0.870 -9.352 1.00 0.00 N ATOM 1062 CA LEU A 66 -5.123 -2.083 -9.459 1.00 0.00 C ATOM 1063 C LEU A 66 -4.241 -3.327 -9.409 1.00 0.00 C ATOM 1064 O LEU A 66 -3.480 -3.598 -10.339 1.00 0.00 O ATOM 1065 CB LEU A 66 -5.933 -2.069 -10.757 1.00 0.00 C ATOM 1066 CG LEU A 66 -7.327 -1.448 -10.671 1.00 0.00 C ATOM 1067 CD1 LEU A 66 -8.209 -2.244 -9.721 1.00 0.00 C ATOM 1068 CD2 LEU A 66 -7.238 0.005 -10.229 1.00 0.00 C ATOM 0 H LEU A 66 -4.076 -0.445 -10.247 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.807 -2.112 -8.611 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -5.362 -1.529 -11.512 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -6.035 -3.096 -11.109 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.778 -1.477 -11.663 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.197 -1.787 -9.673 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.300 -3.269 -10.082 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.762 -2.248 -8.727 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.240 0.430 -10.173 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.766 0.059 -9.248 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.644 0.568 -10.949 1.00 0.00 H new ATOM 1080 N LEU A 67 -4.350 -4.080 -8.321 1.00 0.00 N ATOM 1081 CA LEU A 67 -3.564 -5.297 -8.150 1.00 0.00 C ATOM 1082 C LEU A 67 -4.017 -6.378 -9.126 1.00 0.00 C ATOM 1083 O LEU A 67 -3.207 -7.065 -9.749 1.00 0.00 O ATOM 1084 CB LEU A 67 -3.684 -5.808 -6.714 1.00 0.00 C ATOM 1085 CG LEU A 67 -2.642 -5.283 -5.725 1.00 0.00 C ATOM 1086 CD1 LEU A 67 -2.889 -5.853 -4.337 1.00 0.00 C ATOM 1087 CD2 LEU A 67 -1.237 -5.622 -6.201 1.00 0.00 C ATOM 0 H LEU A 67 -4.975 -3.870 -7.543 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.521 -5.059 -8.358 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.674 -5.549 -6.339 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.624 -6.896 -6.731 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.734 -4.198 -5.671 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.138 -5.468 -3.647 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.881 -5.559 -3.994 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.825 -6.941 -4.374 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.509 -5.241 -5.485 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.132 -6.704 -6.284 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.062 -5.164 -7.175 1.00 0.00 H new ATOM 1099 N PRO A 68 -5.342 -6.533 -9.266 1.00 0.00 N ATOM 1100 CA PRO A 68 -5.932 -7.527 -10.167 1.00 0.00 C ATOM 1101 C PRO A 68 -5.302 -7.498 -11.555 1.00 0.00 C ATOM 1102 O PRO A 68 -5.287 -8.506 -12.262 1.00 0.00 O ATOM 1103 CB PRO A 68 -7.404 -7.112 -10.239 1.00 0.00 C ATOM 1104 CG PRO A 68 -7.657 -6.392 -8.959 1.00 0.00 C ATOM 1105 CD PRO A 68 -6.366 -5.749 -8.555 1.00 0.00 C ATOM 0 HA PRO A 68 -5.779 -8.544 -9.807 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.593 -6.469 -11.099 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -8.056 -7.980 -10.341 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -8.438 -5.642 -9.086 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -8.001 -7.083 -8.189 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -6.336 -4.698 -8.843 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -6.221 -5.788 -7.475 1.00 0.00 H new ATOM 1113 N SER A 69 -4.782 -6.337 -11.940 1.00 0.00 N ATOM 1114 CA SER A 69 -4.153 -6.176 -13.245 1.00 0.00 C ATOM 1115 C SER A 69 -2.657 -6.465 -13.167 1.00 0.00 C ATOM 1116 O SER A 69 -2.018 -6.766 -14.176 1.00 0.00 O ATOM 1117 CB SER A 69 -4.383 -4.759 -13.775 1.00 0.00 C ATOM 1118 OG SER A 69 -5.767 -4.483 -13.908 1.00 0.00 O ATOM 0 H SER A 69 -4.784 -5.494 -11.366 1.00 0.00 H new ATOM 0 HA SER A 69 -4.608 -6.891 -13.930 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.928 -4.036 -13.098 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.892 -4.644 -14.741 1.00 0.00 H new ATOM 0 HG SER A 69 -5.888 -3.571 -14.247 1.00 0.00 H new ATOM 1124 N PHE A 70 -2.105 -6.372 -11.962 1.00 0.00 N ATOM 1125 CA PHE A 70 -0.684 -6.622 -11.751 1.00 0.00 C ATOM 1126 C PHE A 70 -0.422 -8.108 -11.522 1.00 0.00 C ATOM 1127 O PHE A 70 -1.292 -8.836 -11.046 1.00 0.00 O ATOM 1128 CB PHE A 70 -0.175 -5.813 -10.556 1.00 0.00 C ATOM 1129 CG PHE A 70 0.353 -4.458 -10.931 1.00 0.00 C ATOM 1130 CD1 PHE A 70 1.519 -4.334 -11.669 1.00 0.00 C ATOM 1131 CD2 PHE A 70 -0.318 -3.308 -10.546 1.00 0.00 C ATOM 1132 CE1 PHE A 70 2.007 -3.087 -12.014 1.00 0.00 C ATOM 1133 CE2 PHE A 70 0.165 -2.059 -10.889 1.00 0.00 C ATOM 1134 CZ PHE A 70 1.328 -1.949 -11.625 1.00 0.00 C ATOM 0 H PHE A 70 -2.620 -6.125 -11.117 1.00 0.00 H new ATOM 0 HA PHE A 70 -0.148 -6.310 -12.647 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.986 -5.692 -9.837 1.00 0.00 H new ATOM 0 HB3 PHE A 70 0.613 -6.376 -10.056 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.052 -5.221 -11.978 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -1.229 -3.389 -9.971 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.918 -3.003 -12.587 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -0.367 -1.171 -10.582 1.00 0.00 H new ATOM 0 HZ PHE A 70 1.706 -0.974 -11.896 1.00 0.00 H new ATOM 1144 N GLN A 71 0.783 -8.550 -11.867 1.00 0.00 N ATOM 1145 CA GLN A 71 1.160 -9.948 -11.701 1.00 0.00 C ATOM 1146 C GLN A 71 2.311 -10.088 -10.710 1.00 0.00 C ATOM 1147 O GLN A 71 3.448 -9.722 -11.009 1.00 0.00 O ATOM 1148 CB GLN A 71 1.555 -10.555 -13.049 1.00 0.00 C ATOM 1149 CG GLN A 71 2.567 -11.684 -12.934 1.00 0.00 C ATOM 1150 CD GLN A 71 2.637 -12.534 -14.187 1.00 0.00 C ATOM 1151 OE1 GLN A 71 2.143 -12.143 -15.245 1.00 0.00 O ATOM 1152 NE2 GLN A 71 3.254 -13.705 -14.075 1.00 0.00 N ATOM 0 H GLN A 71 1.515 -7.960 -12.263 1.00 0.00 H new ATOM 0 HA GLN A 71 0.298 -10.486 -11.307 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.660 -10.930 -13.546 1.00 0.00 H new ATOM 0 HB3 GLN A 71 1.968 -9.771 -13.684 1.00 0.00 H new ATOM 0 HG2 GLN A 71 3.552 -11.265 -12.728 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.306 -12.316 -12.085 1.00 0.00 H new ATOM 0 HE21 GLN A 71 3.649 -13.990 -13.179 1.00 0.00 H new ATOM 0 HE22 GLN A 71 3.333 -14.320 -14.885 1.00 0.00 H new ATOM 1161 N ILE A 72 2.008 -10.620 -9.531 1.00 0.00 N ATOM 1162 CA ILE A 72 3.017 -10.809 -8.496 1.00 0.00 C ATOM 1163 C ILE A 72 3.846 -12.062 -8.759 1.00 0.00 C ATOM 1164 O ILE A 72 3.313 -13.170 -8.815 1.00 0.00 O ATOM 1165 CB ILE A 72 2.378 -10.913 -7.099 1.00 0.00 C ATOM 1166 CG1 ILE A 72 1.195 -9.950 -6.982 1.00 0.00 C ATOM 1167 CG2 ILE A 72 3.413 -10.624 -6.021 1.00 0.00 C ATOM 1168 CD1 ILE A 72 1.555 -8.511 -7.281 1.00 0.00 C ATOM 0 H ILE A 72 1.072 -10.928 -9.268 1.00 0.00 H new ATOM 0 HA ILE A 72 3.666 -9.934 -8.525 1.00 0.00 H new ATOM 0 HB ILE A 72 2.009 -11.929 -6.959 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.408 -10.269 -7.666 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.785 -10.012 -5.974 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.947 -10.701 -5.039 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.226 -11.346 -6.094 1.00 0.00 H new ATOM 0 HG23 ILE A 72 3.808 -9.617 -6.157 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.668 -7.885 -7.179 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.320 -8.174 -6.581 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.937 -8.435 -8.299 1.00 0.00 H new ATOM 1180 N ALA A 73 5.152 -11.878 -8.917 1.00 0.00 N ATOM 1181 CA ALA A 73 6.056 -12.994 -9.169 1.00 0.00 C ATOM 1182 C ALA A 73 7.450 -12.706 -8.623 1.00 0.00 C ATOM 1183 O ALA A 73 7.995 -11.620 -8.825 1.00 0.00 O ATOM 1184 CB ALA A 73 6.122 -13.292 -10.660 1.00 0.00 C ATOM 0 H ALA A 73 5.608 -10.967 -8.875 1.00 0.00 H new ATOM 0 HA ALA A 73 5.666 -13.870 -8.651 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.800 -14.127 -10.834 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.127 -13.550 -11.024 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.486 -12.412 -11.191 1.00 0.00 H new ATOM 1190 N LEU A 74 8.022 -13.684 -7.929 1.00 0.00 N ATOM 1191 CA LEU A 74 9.354 -13.535 -7.352 1.00 0.00 C ATOM 1192 C LEU A 74 10.347 -13.036 -8.397 1.00 0.00 C ATOM 1193 O LEU A 74 10.339 -13.488 -9.543 1.00 0.00 O ATOM 1194 CB LEU A 74 9.832 -14.868 -6.773 1.00 0.00 C ATOM 1195 CG LEU A 74 9.271 -15.243 -5.401 1.00 0.00 C ATOM 1196 CD1 LEU A 74 9.668 -14.208 -4.360 1.00 0.00 C ATOM 1197 CD2 LEU A 74 7.757 -15.384 -5.465 1.00 0.00 C ATOM 0 H LEU A 74 7.585 -14.588 -7.752 1.00 0.00 H new ATOM 0 HA LEU A 74 9.296 -12.798 -6.551 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.576 -15.660 -7.477 1.00 0.00 H new ATOM 0 HB3 LEU A 74 10.920 -14.842 -6.704 1.00 0.00 H new ATOM 0 HG LEU A 74 9.694 -16.204 -5.107 1.00 0.00 H new ATOM 0 HD11 LEU A 74 9.260 -14.492 -3.390 1.00 0.00 H new ATOM 0 HD12 LEU A 74 10.755 -14.156 -4.295 1.00 0.00 H new ATOM 0 HD13 LEU A 74 9.275 -13.233 -4.648 1.00 0.00 H new ATOM 0 HD21 LEU A 74 7.374 -15.651 -4.480 1.00 0.00 H new ATOM 0 HD22 LEU A 74 7.317 -14.438 -5.781 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.494 -16.164 -6.180 1.00 0.00 H new ATOM 1209 N LEU A 75 11.202 -12.103 -7.994 1.00 0.00 N ATOM 1210 CA LEU A 75 12.204 -11.543 -8.895 1.00 0.00 C ATOM 1211 C LEU A 75 12.906 -12.646 -9.681 1.00 0.00 C ATOM 1212 O LEU A 75 12.724 -13.833 -9.406 1.00 0.00 O ATOM 1213 CB LEU A 75 13.232 -10.731 -8.105 1.00 0.00 C ATOM 1214 CG LEU A 75 12.682 -9.550 -7.304 1.00 0.00 C ATOM 1215 CD1 LEU A 75 13.796 -8.867 -6.526 1.00 0.00 C ATOM 1216 CD2 LEU A 75 11.987 -8.558 -8.226 1.00 0.00 C ATOM 0 H LEU A 75 11.222 -11.718 -7.050 1.00 0.00 H new ATOM 0 HA LEU A 75 11.696 -10.886 -9.601 1.00 0.00 H new ATOM 0 HB2 LEU A 75 13.745 -11.403 -7.417 1.00 0.00 H new ATOM 0 HB3 LEU A 75 13.981 -10.354 -8.802 1.00 0.00 H new ATOM 0 HG LEU A 75 11.949 -9.929 -6.592 1.00 0.00 H new ATOM 0 HD11 LEU A 75 13.385 -8.029 -5.962 1.00 0.00 H new ATOM 0 HD12 LEU A 75 14.249 -9.580 -5.838 1.00 0.00 H new ATOM 0 HD13 LEU A 75 14.553 -8.501 -7.220 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.602 -7.724 -7.639 1.00 0.00 H new ATOM 0 HD22 LEU A 75 12.699 -8.185 -8.962 1.00 0.00 H new ATOM 0 HD23 LEU A 75 11.162 -9.053 -8.738 1.00 0.00 H new ATOM 1377 N TYR A 85 14.617 -10.086 -0.406 1.00 0.00 N ATOM 1378 CA TYR A 85 13.358 -9.827 0.284 1.00 0.00 C ATOM 1379 C TYR A 85 12.518 -8.808 -0.479 1.00 0.00 C ATOM 1380 O TYR A 85 11.972 -7.874 0.107 1.00 0.00 O ATOM 1381 CB TYR A 85 13.625 -9.324 1.704 1.00 0.00 C ATOM 1382 CG TYR A 85 14.397 -10.303 2.559 1.00 0.00 C ATOM 1383 CD1 TYR A 85 15.674 -10.715 2.197 1.00 0.00 C ATOM 1384 CD2 TYR A 85 13.850 -10.818 3.727 1.00 0.00 C ATOM 1385 CE1 TYR A 85 16.383 -11.610 2.974 1.00 0.00 C ATOM 1386 CE2 TYR A 85 14.552 -11.712 4.512 1.00 0.00 C ATOM 1387 CZ TYR A 85 15.818 -12.106 4.131 1.00 0.00 C ATOM 1388 OH TYR A 85 16.520 -12.998 4.908 1.00 0.00 O ATOM 0 HA TYR A 85 12.802 -10.763 0.336 1.00 0.00 H new ATOM 0 HB2 TYR A 85 14.179 -8.387 1.650 1.00 0.00 H new ATOM 0 HB3 TYR A 85 12.673 -9.105 2.187 1.00 0.00 H new ATOM 0 HD1 TYR A 85 16.120 -10.329 1.292 1.00 0.00 H new ATOM 0 HD2 TYR A 85 12.858 -10.514 4.027 1.00 0.00 H new ATOM 0 HE1 TYR A 85 17.374 -11.920 2.678 1.00 0.00 H new ATOM 0 HE2 TYR A 85 14.112 -12.100 5.419 1.00 0.00 H new ATOM 0 HH TYR A 85 15.981 -13.248 5.687 1.00 0.00 H new ATOM 1398 N ALA A 86 12.418 -8.997 -1.791 1.00 0.00 N ATOM 1399 CA ALA A 86 11.643 -8.097 -2.635 1.00 0.00 C ATOM 1400 C ALA A 86 11.026 -8.844 -3.813 1.00 0.00 C ATOM 1401 O ALA A 86 11.490 -9.921 -4.189 1.00 0.00 O ATOM 1402 CB ALA A 86 12.516 -6.955 -3.131 1.00 0.00 C ATOM 0 H ALA A 86 12.864 -9.765 -2.292 1.00 0.00 H new ATOM 0 HA ALA A 86 10.832 -7.685 -2.035 1.00 0.00 H new ATOM 0 HB1 ALA A 86 11.923 -6.291 -3.760 1.00 0.00 H new ATOM 0 HB2 ALA A 86 12.904 -6.397 -2.279 1.00 0.00 H new ATOM 0 HB3 ALA A 86 13.347 -7.357 -3.710 1.00 0.00 H new ATOM 1408 N PHE A 87 9.978 -8.267 -4.391 1.00 0.00 N ATOM 1409 CA PHE A 87 9.297 -8.880 -5.526 1.00 0.00 C ATOM 1410 C PHE A 87 8.975 -7.839 -6.594 1.00 0.00 C ATOM 1411 O PHE A 87 9.254 -6.651 -6.424 1.00 0.00 O ATOM 1412 CB PHE A 87 8.011 -9.569 -5.064 1.00 0.00 C ATOM 1413 CG PHE A 87 7.330 -8.865 -3.926 1.00 0.00 C ATOM 1414 CD1 PHE A 87 7.855 -8.921 -2.645 1.00 0.00 C ATOM 1415 CD2 PHE A 87 6.163 -8.147 -4.137 1.00 0.00 C ATOM 1416 CE1 PHE A 87 7.230 -8.274 -1.596 1.00 0.00 C ATOM 1417 CE2 PHE A 87 5.534 -7.498 -3.092 1.00 0.00 C ATOM 1418 CZ PHE A 87 6.067 -7.563 -1.819 1.00 0.00 C ATOM 0 H PHE A 87 9.582 -7.376 -4.092 1.00 0.00 H new ATOM 0 HA PHE A 87 9.964 -9.625 -5.960 1.00 0.00 H new ATOM 0 HB2 PHE A 87 7.321 -9.635 -5.905 1.00 0.00 H new ATOM 0 HB3 PHE A 87 8.244 -10.590 -4.762 1.00 0.00 H new ATOM 0 HD1 PHE A 87 8.763 -9.477 -2.464 1.00 0.00 H new ATOM 0 HD2 PHE A 87 5.741 -8.094 -5.130 1.00 0.00 H new ATOM 0 HE1 PHE A 87 7.651 -8.324 -0.603 1.00 0.00 H new ATOM 0 HE2 PHE A 87 4.626 -6.940 -3.270 1.00 0.00 H new ATOM 0 HZ PHE A 87 5.575 -7.059 -1.000 1.00 0.00 H new ATOM 1428 N LYS A 88 8.386 -8.292 -7.695 1.00 0.00 N ATOM 1429 CA LYS A 88 8.024 -7.402 -8.792 1.00 0.00 C ATOM 1430 C LYS A 88 6.605 -7.685 -9.276 1.00 0.00 C ATOM 1431 O LYS A 88 6.100 -8.797 -9.130 1.00 0.00 O ATOM 1432 CB LYS A 88 9.011 -7.559 -9.950 1.00 0.00 C ATOM 1433 CG LYS A 88 8.908 -8.899 -10.660 1.00 0.00 C ATOM 1434 CD LYS A 88 9.581 -8.862 -12.021 1.00 0.00 C ATOM 1435 CE LYS A 88 8.983 -9.892 -12.967 1.00 0.00 C ATOM 1436 NZ LYS A 88 7.728 -9.400 -13.600 1.00 0.00 N ATOM 0 H LYS A 88 8.149 -9.272 -7.852 1.00 0.00 H new ATOM 0 HA LYS A 88 8.066 -6.377 -8.425 1.00 0.00 H new ATOM 0 HB2 LYS A 88 8.841 -6.761 -10.672 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.025 -7.435 -9.571 1.00 0.00 H new ATOM 0 HG2 LYS A 88 9.369 -9.673 -10.046 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.859 -9.169 -10.779 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.477 -7.866 -12.453 1.00 0.00 H new ATOM 0 HD3 LYS A 88 10.649 -9.049 -11.905 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.709 -10.138 -13.742 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.777 -10.812 -12.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 7.351 -10.130 -14.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 7.026 -9.189 -12.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 7.929 -8.536 -14.143 1.00 0.00 H new ATOM 1450 N ALA A 89 5.969 -6.671 -9.854 1.00 0.00 N ATOM 1451 CA ALA A 89 4.611 -6.813 -10.364 1.00 0.00 C ATOM 1452 C ALA A 89 4.534 -6.424 -11.836 1.00 0.00 C ATOM 1453 O ALA A 89 4.885 -5.306 -12.212 1.00 0.00 O ATOM 1454 CB ALA A 89 3.649 -5.968 -9.542 1.00 0.00 C ATOM 0 H ALA A 89 6.372 -5.743 -9.981 1.00 0.00 H new ATOM 0 HA ALA A 89 4.324 -7.861 -10.277 1.00 0.00 H new ATOM 0 HB1 ALA A 89 2.638 -6.083 -9.933 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.675 -6.295 -8.502 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.944 -4.920 -9.601 1.00 0.00 H new ATOM 1460 N ALA A 90 4.072 -7.354 -12.665 1.00 0.00 N ATOM 1461 CA ALA A 90 3.948 -7.108 -14.097 1.00 0.00 C ATOM 1462 C ALA A 90 2.552 -6.604 -14.448 1.00 0.00 C ATOM 1463 O ALA A 90 1.558 -7.043 -13.868 1.00 0.00 O ATOM 1464 CB ALA A 90 4.267 -8.373 -14.880 1.00 0.00 C ATOM 0 H ALA A 90 3.777 -8.285 -12.370 1.00 0.00 H new ATOM 0 HA ALA A 90 4.665 -6.334 -14.371 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.170 -8.174 -15.947 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.287 -8.689 -14.661 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.573 -9.163 -14.594 1.00 0.00 H new ATOM 1470 N HIS A 91 2.484 -5.678 -15.399 1.00 0.00 N ATOM 1471 CA HIS A 91 1.209 -5.114 -15.827 1.00 0.00 C ATOM 1472 C HIS A 91 1.160 -4.974 -17.346 1.00 0.00 C ATOM 1473 O HIS A 91 2.138 -4.598 -17.991 1.00 0.00 O ATOM 1474 CB HIS A 91 0.984 -3.752 -15.170 1.00 0.00 C ATOM 1475 CG HIS A 91 -0.448 -3.314 -15.176 1.00 0.00 C ATOM 1476 ND1 HIS A 91 -1.068 -2.782 -16.287 1.00 0.00 N ATOM 1477 CD2 HIS A 91 -1.384 -3.333 -14.198 1.00 0.00 C ATOM 1478 CE1 HIS A 91 -2.322 -2.491 -15.992 1.00 0.00 C ATOM 1479 NE2 HIS A 91 -2.540 -2.816 -14.730 1.00 0.00 N ATOM 0 H HIS A 91 3.297 -5.302 -15.888 1.00 0.00 H new ATOM 0 HA HIS A 91 0.416 -5.794 -15.516 1.00 0.00 H new ATOM 0 HB2 HIS A 91 1.339 -3.791 -14.140 1.00 0.00 H new ATOM 0 HB3 HIS A 91 1.586 -3.005 -15.687 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -1.247 -3.689 -13.187 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -3.046 -2.060 -16.668 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -3.423 -2.702 -14.232 1.00 0.00 H new ATOM 1488 N PRO A 92 -0.007 -5.283 -17.931 1.00 0.00 N ATOM 1489 CA PRO A 92 -0.212 -5.199 -19.381 1.00 0.00 C ATOM 1490 C PRO A 92 -0.316 -3.758 -19.869 1.00 0.00 C ATOM 1491 O PRO A 92 0.363 -3.363 -20.816 1.00 0.00 O ATOM 1492 CB PRO A 92 -1.538 -5.933 -19.594 1.00 0.00 C ATOM 1493 CG PRO A 92 -2.270 -5.776 -18.306 1.00 0.00 C ATOM 1494 CD PRO A 92 -1.216 -5.738 -17.224 1.00 0.00 C ATOM 0 HA PRO A 92 0.622 -5.627 -19.937 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -2.100 -5.503 -20.423 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -1.375 -6.984 -19.831 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -2.863 -4.861 -18.304 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -2.961 -6.604 -18.147 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -1.491 -5.055 -16.421 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -1.070 -6.719 -16.772 1.00 0.00 H new ATOM 1502 N ASN A 93 -1.170 -2.977 -19.216 1.00 0.00 N ATOM 1503 CA ASN A 93 -1.363 -1.579 -19.584 1.00 0.00 C ATOM 1504 C ASN A 93 -0.405 -0.676 -18.813 1.00 0.00 C ATOM 1505 O ASN A 93 -0.590 0.539 -18.758 1.00 0.00 O ATOM 1506 CB ASN A 93 -2.808 -1.154 -19.317 1.00 0.00 C ATOM 1507 CG ASN A 93 -3.277 -0.070 -20.268 1.00 0.00 C ATOM 1508 OD1 ASN A 93 -2.890 -0.044 -21.436 1.00 0.00 O ATOM 1509 ND2 ASN A 93 -4.116 0.831 -19.770 1.00 0.00 N ATOM 0 H ASN A 93 -1.740 -3.288 -18.429 1.00 0.00 H new ATOM 0 HA ASN A 93 -1.152 -1.478 -20.649 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -3.462 -2.021 -19.408 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -2.895 -0.796 -18.291 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -4.466 1.584 -20.362 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -4.410 0.770 -18.795 1.00 0.00 H new ATOM 1516 N MET A 94 0.620 -1.280 -18.219 1.00 0.00 N ATOM 1517 CA MET A 94 1.608 -0.530 -17.453 1.00 0.00 C ATOM 1518 C MET A 94 2.957 -1.243 -17.461 1.00 0.00 C ATOM 1519 O MET A 94 3.129 -2.258 -18.135 1.00 0.00 O ATOM 1520 CB MET A 94 1.129 -0.337 -16.013 1.00 0.00 C ATOM 1521 CG MET A 94 0.276 0.906 -15.818 1.00 0.00 C ATOM 1522 SD MET A 94 0.015 1.304 -14.079 1.00 0.00 S ATOM 1523 CE MET A 94 -0.878 -0.149 -13.530 1.00 0.00 C ATOM 0 H MET A 94 0.787 -2.286 -18.254 1.00 0.00 H new ATOM 0 HA MET A 94 1.730 0.447 -17.922 1.00 0.00 H new ATOM 0 HB2 MET A 94 0.555 -1.213 -15.709 1.00 0.00 H new ATOM 0 HB3 MET A 94 1.996 -0.280 -15.355 1.00 0.00 H new ATOM 0 HG2 MET A 94 0.755 1.751 -16.312 1.00 0.00 H new ATOM 0 HG3 MET A 94 -0.690 0.759 -16.302 1.00 0.00 H new ATOM 0 HE1 MET A 94 -1.236 0.007 -12.512 1.00 0.00 H new ATOM 0 HE2 MET A 94 -1.727 -0.325 -14.190 1.00 0.00 H new ATOM 0 HE3 MET A 94 -0.215 -1.014 -13.553 1.00 0.00 H new ATOM 1533 N ARG A 95 3.910 -0.704 -16.708 1.00 0.00 N ATOM 1534 CA ARG A 95 5.244 -1.288 -16.630 1.00 0.00 C ATOM 1535 C ARG A 95 5.364 -2.210 -15.420 1.00 0.00 C ATOM 1536 O ARG A 95 4.397 -2.420 -14.687 1.00 0.00 O ATOM 1537 CB ARG A 95 6.303 -0.186 -16.551 1.00 0.00 C ATOM 1538 CG ARG A 95 6.154 0.715 -15.336 1.00 0.00 C ATOM 1539 CD ARG A 95 5.333 1.954 -15.659 1.00 0.00 C ATOM 1540 NE ARG A 95 6.172 3.073 -16.079 1.00 0.00 N ATOM 1541 CZ ARG A 95 6.401 3.383 -17.350 1.00 0.00 C ATOM 1542 NH1 ARG A 95 5.856 2.662 -18.320 1.00 0.00 N ATOM 1543 NH2 ARG A 95 7.176 4.416 -17.653 1.00 0.00 N ATOM 0 H ARG A 95 3.783 0.136 -16.143 1.00 0.00 H new ATOM 0 HA ARG A 95 5.408 -1.877 -17.532 1.00 0.00 H new ATOM 0 HB2 ARG A 95 7.292 -0.644 -16.534 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.250 0.423 -17.453 1.00 0.00 H new ATOM 0 HG2 ARG A 95 5.677 0.161 -14.527 1.00 0.00 H new ATOM 0 HG3 ARG A 95 7.140 1.013 -14.980 1.00 0.00 H new ATOM 0 HD2 ARG A 95 4.619 1.720 -16.449 1.00 0.00 H new ATOM 0 HD3 ARG A 95 4.754 2.244 -14.782 1.00 0.00 H new ATOM 0 HE ARG A 95 6.606 3.648 -15.357 1.00 0.00 H new ATOM 0 HH11 ARG A 95 5.259 1.867 -18.091 1.00 0.00 H new ATOM 0 HH12 ARG A 95 6.033 2.902 -19.295 1.00 0.00 H new ATOM 0 HH21 ARG A 95 7.597 4.973 -16.910 1.00 0.00 H new ATOM 0 HH22 ARG A 95 7.351 4.653 -18.629 1.00 0.00 H new ATOM 1557 N THR A 96 6.557 -2.761 -15.218 1.00 0.00 N ATOM 1558 CA THR A 96 6.803 -3.662 -14.100 1.00 0.00 C ATOM 1559 C THR A 96 7.245 -2.893 -12.860 1.00 0.00 C ATOM 1560 O THR A 96 8.191 -2.106 -12.911 1.00 0.00 O ATOM 1561 CB THR A 96 7.876 -4.711 -14.449 1.00 0.00 C ATOM 1562 OG1 THR A 96 7.552 -5.349 -15.689 1.00 0.00 O ATOM 1563 CG2 THR A 96 7.989 -5.756 -13.350 1.00 0.00 C ATOM 0 H THR A 96 7.368 -2.598 -15.815 1.00 0.00 H new ATOM 0 HA THR A 96 5.862 -4.171 -13.892 1.00 0.00 H new ATOM 0 HB THR A 96 8.834 -4.200 -14.543 1.00 0.00 H new ATOM 0 HG1 THR A 96 8.240 -6.013 -15.905 1.00 0.00 H new ATOM 0 HG21 THR A 96 8.753 -6.486 -13.619 1.00 0.00 H new ATOM 0 HG22 THR A 96 8.264 -5.271 -12.414 1.00 0.00 H new ATOM 0 HG23 THR A 96 7.031 -6.261 -13.229 1.00 0.00 H new ATOM 1571 N TYR A 97 6.556 -3.125 -11.749 1.00 0.00 N ATOM 1572 CA TYR A 97 6.877 -2.452 -10.496 1.00 0.00 C ATOM 1573 C TYR A 97 7.767 -3.327 -9.619 1.00 0.00 C ATOM 1574 O TYR A 97 8.001 -4.497 -9.925 1.00 0.00 O ATOM 1575 CB TYR A 97 5.595 -2.092 -9.743 1.00 0.00 C ATOM 1576 CG TYR A 97 4.901 -0.862 -10.282 1.00 0.00 C ATOM 1577 CD1 TYR A 97 4.827 -0.624 -11.649 1.00 0.00 C ATOM 1578 CD2 TYR A 97 4.319 0.063 -9.424 1.00 0.00 C ATOM 1579 CE1 TYR A 97 4.194 0.499 -12.145 1.00 0.00 C ATOM 1580 CE2 TYR A 97 3.683 1.189 -9.911 1.00 0.00 C ATOM 1581 CZ TYR A 97 3.624 1.402 -11.273 1.00 0.00 C ATOM 1582 OH TYR A 97 2.992 2.522 -11.763 1.00 0.00 O ATOM 0 H TYR A 97 5.771 -3.774 -11.690 1.00 0.00 H new ATOM 0 HA TYR A 97 7.420 -1.537 -10.734 1.00 0.00 H new ATOM 0 HB2 TYR A 97 4.907 -2.936 -9.789 1.00 0.00 H new ATOM 0 HB3 TYR A 97 5.834 -1.933 -8.692 1.00 0.00 H new ATOM 0 HD1 TYR A 97 5.272 -1.329 -12.335 1.00 0.00 H new ATOM 0 HD2 TYR A 97 4.364 -0.101 -8.357 1.00 0.00 H new ATOM 0 HE1 TYR A 97 4.146 0.669 -13.210 1.00 0.00 H new ATOM 0 HE2 TYR A 97 3.235 1.898 -9.230 1.00 0.00 H new ATOM 0 HH TYR A 97 2.644 3.054 -11.017 1.00 0.00 H new ATOM 1592 N TYR A 98 8.260 -2.753 -8.528 1.00 0.00 N ATOM 1593 CA TYR A 98 9.125 -3.479 -7.606 1.00 0.00 C ATOM 1594 C TYR A 98 8.900 -3.018 -6.169 1.00 0.00 C ATOM 1595 O TYR A 98 8.850 -1.820 -5.890 1.00 0.00 O ATOM 1596 CB TYR A 98 10.593 -3.285 -7.991 1.00 0.00 C ATOM 1597 CG TYR A 98 10.953 -3.893 -9.328 1.00 0.00 C ATOM 1598 CD1 TYR A 98 10.523 -3.313 -10.516 1.00 0.00 C ATOM 1599 CD2 TYR A 98 11.722 -5.047 -9.404 1.00 0.00 C ATOM 1600 CE1 TYR A 98 10.849 -3.865 -11.739 1.00 0.00 C ATOM 1601 CE2 TYR A 98 12.054 -5.605 -10.624 1.00 0.00 C ATOM 1602 CZ TYR A 98 11.615 -5.010 -11.788 1.00 0.00 C ATOM 1603 OH TYR A 98 11.943 -5.564 -13.005 1.00 0.00 O ATOM 0 H TYR A 98 8.075 -1.786 -8.260 1.00 0.00 H new ATOM 0 HA TYR A 98 8.875 -4.538 -7.672 1.00 0.00 H new ATOM 0 HB2 TYR A 98 10.816 -2.218 -8.014 1.00 0.00 H new ATOM 0 HB3 TYR A 98 11.224 -3.726 -7.219 1.00 0.00 H new ATOM 0 HD1 TYR A 98 9.924 -2.415 -10.482 1.00 0.00 H new ATOM 0 HD2 TYR A 98 12.066 -5.516 -8.494 1.00 0.00 H new ATOM 0 HE1 TYR A 98 10.506 -3.402 -12.652 1.00 0.00 H new ATOM 0 HE2 TYR A 98 12.654 -6.502 -10.666 1.00 0.00 H new ATOM 0 HH TYR A 98 12.487 -6.366 -12.863 1.00 0.00 H new ATOM 1613 N PHE A 99 8.765 -3.978 -5.261 1.00 0.00 N ATOM 1614 CA PHE A 99 8.545 -3.673 -3.852 1.00 0.00 C ATOM 1615 C PHE A 99 9.375 -4.591 -2.960 1.00 0.00 C ATOM 1616 O PHE A 99 9.525 -5.780 -3.244 1.00 0.00 O ATOM 1617 CB PHE A 99 7.061 -3.810 -3.504 1.00 0.00 C ATOM 1618 CG PHE A 99 6.146 -3.197 -4.526 1.00 0.00 C ATOM 1619 CD1 PHE A 99 5.888 -3.846 -5.722 1.00 0.00 C ATOM 1620 CD2 PHE A 99 5.545 -1.971 -4.290 1.00 0.00 C ATOM 1621 CE1 PHE A 99 5.047 -3.283 -6.664 1.00 0.00 C ATOM 1622 CE2 PHE A 99 4.704 -1.403 -5.228 1.00 0.00 C ATOM 1623 CZ PHE A 99 4.454 -2.061 -6.416 1.00 0.00 C ATOM 0 H PHE A 99 8.804 -4.974 -5.475 1.00 0.00 H new ATOM 0 HA PHE A 99 8.859 -2.644 -3.676 1.00 0.00 H new ATOM 0 HB2 PHE A 99 6.817 -4.867 -3.397 1.00 0.00 H new ATOM 0 HB3 PHE A 99 6.878 -3.342 -2.537 1.00 0.00 H new ATOM 0 HD1 PHE A 99 6.349 -4.802 -5.921 1.00 0.00 H new ATOM 0 HD2 PHE A 99 5.736 -1.453 -3.362 1.00 0.00 H new ATOM 0 HE1 PHE A 99 4.854 -3.799 -7.593 1.00 0.00 H new ATOM 0 HE2 PHE A 99 4.243 -0.446 -5.032 1.00 0.00 H new ATOM 0 HZ PHE A 99 3.796 -1.620 -7.150 1.00 0.00 H new ATOM 1633 N CYS A 100 9.911 -4.032 -1.882 1.00 0.00 N ATOM 1634 CA CYS A 100 10.728 -4.799 -0.948 1.00 0.00 C ATOM 1635 C CYS A 100 10.286 -4.552 0.491 1.00 0.00 C ATOM 1636 O CYS A 100 9.587 -3.580 0.780 1.00 0.00 O ATOM 1637 CB CYS A 100 12.204 -4.435 -1.110 1.00 0.00 C ATOM 1638 SG CYS A 100 12.671 -2.875 -0.323 1.00 0.00 S ATOM 0 H CYS A 100 9.795 -3.050 -1.632 1.00 0.00 H new ATOM 0 HA CYS A 100 10.596 -5.857 -1.173 1.00 0.00 H new ATOM 0 HB2 CYS A 100 12.813 -5.237 -0.692 1.00 0.00 H new ATOM 0 HB3 CYS A 100 12.438 -4.378 -2.173 1.00 0.00 H new ATOM 0 HG CYS A 100 12.991 -2.007 -1.236 1.00 0.00 H new ATOM 1644 N THR A 101 10.697 -5.439 1.392 1.00 0.00 N ATOM 1645 CA THR A 101 10.342 -5.319 2.800 1.00 0.00 C ATOM 1646 C THR A 101 11.575 -5.430 3.689 1.00 0.00 C ATOM 1647 O THR A 101 12.684 -5.651 3.204 1.00 0.00 O ATOM 1648 CB THR A 101 9.324 -6.398 3.216 1.00 0.00 C ATOM 1649 OG1 THR A 101 9.795 -7.693 2.825 1.00 0.00 O ATOM 1650 CG2 THR A 101 7.966 -6.134 2.583 1.00 0.00 C ATOM 0 H THR A 101 11.276 -6.249 1.171 1.00 0.00 H new ATOM 0 HA THR A 101 9.891 -4.335 2.930 1.00 0.00 H new ATOM 0 HB THR A 101 9.214 -6.364 4.300 1.00 0.00 H new ATOM 0 HG1 THR A 101 9.898 -8.257 3.620 1.00 0.00 H new ATOM 0 HG21 THR A 101 7.264 -6.909 2.891 1.00 0.00 H new ATOM 0 HG22 THR A 101 7.597 -5.161 2.906 1.00 0.00 H new ATOM 0 HG23 THR A 101 8.063 -6.143 1.497 1.00 0.00 H new ATOM 1658 N ASP A 102 11.373 -5.276 4.993 1.00 0.00 N ATOM 1659 CA ASP A 102 12.469 -5.360 5.952 1.00 0.00 C ATOM 1660 C ASP A 102 12.905 -6.808 6.153 1.00 0.00 C ATOM 1661 O ASP A 102 14.095 -7.100 6.272 1.00 0.00 O ATOM 1662 CB ASP A 102 12.053 -4.749 7.291 1.00 0.00 C ATOM 1663 CG ASP A 102 13.213 -4.095 8.014 1.00 0.00 C ATOM 1664 OD1 ASP A 102 14.118 -4.827 8.469 1.00 0.00 O ATOM 1665 OD2 ASP A 102 13.217 -2.852 8.126 1.00 0.00 O ATOM 0 H ASP A 102 10.461 -5.092 5.410 1.00 0.00 H new ATOM 0 HA ASP A 102 13.312 -4.797 5.552 1.00 0.00 H new ATOM 0 HB2 ASP A 102 11.270 -4.009 7.122 1.00 0.00 H new ATOM 0 HB3 ASP A 102 11.626 -5.526 7.925 1.00 0.00 H new ATOM 1670 N THR A 103 11.932 -7.714 6.190 1.00 0.00 N ATOM 1671 CA THR A 103 12.214 -9.131 6.379 1.00 0.00 C ATOM 1672 C THR A 103 11.197 -9.997 5.645 1.00 0.00 C ATOM 1673 O THR A 103 10.195 -9.497 5.134 1.00 0.00 O ATOM 1674 CB THR A 103 12.212 -9.510 7.872 1.00 0.00 C ATOM 1675 OG1 THR A 103 11.753 -10.857 8.035 1.00 0.00 O ATOM 1676 CG2 THR A 103 11.323 -8.567 8.668 1.00 0.00 C ATOM 0 H THR A 103 10.942 -7.491 6.091 1.00 0.00 H new ATOM 0 HA THR A 103 13.207 -9.313 5.967 1.00 0.00 H new ATOM 0 HB THR A 103 13.232 -9.426 8.247 1.00 0.00 H new ATOM 0 HG1 THR A 103 11.756 -11.091 8.987 1.00 0.00 H new ATOM 0 HG21 THR A 103 11.337 -8.854 9.719 1.00 0.00 H new ATOM 0 HG22 THR A 103 11.692 -7.546 8.566 1.00 0.00 H new ATOM 0 HG23 THR A 103 10.302 -8.624 8.290 1.00 0.00 H new ATOM 1684 N GLY A 104 11.460 -11.299 5.596 1.00 0.00 N ATOM 1685 CA GLY A 104 10.557 -12.214 4.922 1.00 0.00 C ATOM 1686 C GLY A 104 9.126 -12.076 5.404 1.00 0.00 C ATOM 1687 O GLY A 104 8.184 -12.237 4.628 1.00 0.00 O ATOM 0 H GLY A 104 12.282 -11.737 6.011 1.00 0.00 H new ATOM 0 HA2 GLY A 104 10.595 -12.032 3.848 1.00 0.00 H new ATOM 0 HA3 GLY A 104 10.895 -13.238 5.084 1.00 0.00 H new ATOM 1691 N LYS A 105 8.962 -11.779 6.688 1.00 0.00 N ATOM 1692 CA LYS A 105 7.636 -11.620 7.274 1.00 0.00 C ATOM 1693 C LYS A 105 6.869 -10.495 6.586 1.00 0.00 C ATOM 1694 O LYS A 105 5.848 -10.732 5.942 1.00 0.00 O ATOM 1695 CB LYS A 105 7.749 -11.332 8.773 1.00 0.00 C ATOM 1696 CG LYS A 105 6.445 -10.876 9.405 1.00 0.00 C ATOM 1697 CD LYS A 105 6.163 -9.413 9.106 1.00 0.00 C ATOM 1698 CE LYS A 105 5.378 -8.756 10.231 1.00 0.00 C ATOM 1699 NZ LYS A 105 6.261 -8.344 11.357 1.00 0.00 N ATOM 0 H LYS A 105 9.731 -11.643 7.344 1.00 0.00 H new ATOM 0 HA LYS A 105 7.088 -12.551 7.130 1.00 0.00 H new ATOM 0 HB2 LYS A 105 8.095 -12.232 9.282 1.00 0.00 H new ATOM 0 HB3 LYS A 105 8.507 -10.565 8.931 1.00 0.00 H new ATOM 0 HG2 LYS A 105 5.625 -11.489 9.032 1.00 0.00 H new ATOM 0 HG3 LYS A 105 6.490 -11.026 10.484 1.00 0.00 H new ATOM 0 HD2 LYS A 105 7.104 -8.883 8.959 1.00 0.00 H new ATOM 0 HD3 LYS A 105 5.603 -9.332 8.174 1.00 0.00 H new ATOM 0 HE2 LYS A 105 4.851 -7.883 9.845 1.00 0.00 H new ATOM 0 HE3 LYS A 105 4.621 -9.449 10.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 5.688 -7.901 12.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 6.745 -9.180 11.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 6.968 -7.663 11.013 1.00 0.00 H new ATOM 1713 N GLU A 106 7.370 -9.271 6.727 1.00 0.00 N ATOM 1714 CA GLU A 106 6.730 -8.111 6.117 1.00 0.00 C ATOM 1715 C GLU A 106 6.372 -8.389 4.660 1.00 0.00 C ATOM 1716 O GLU A 106 5.523 -7.714 4.079 1.00 0.00 O ATOM 1717 CB GLU A 106 7.650 -6.890 6.204 1.00 0.00 C ATOM 1718 CG GLU A 106 7.477 -6.087 7.482 1.00 0.00 C ATOM 1719 CD GLU A 106 7.816 -4.621 7.300 1.00 0.00 C ATOM 1720 OE1 GLU A 106 7.550 -4.083 6.204 1.00 0.00 O ATOM 1721 OE2 GLU A 106 8.346 -4.011 8.251 1.00 0.00 O ATOM 0 H GLU A 106 8.215 -9.058 7.257 1.00 0.00 H new ATOM 0 HA GLU A 106 5.811 -7.905 6.665 1.00 0.00 H new ATOM 0 HB2 GLU A 106 8.686 -7.220 6.130 1.00 0.00 H new ATOM 0 HB3 GLU A 106 7.460 -6.241 5.349 1.00 0.00 H new ATOM 0 HG2 GLU A 106 6.447 -6.178 7.827 1.00 0.00 H new ATOM 0 HG3 GLU A 106 8.112 -6.509 8.261 1.00 0.00 H new ATOM 1728 N MET A 107 7.026 -9.388 4.077 1.00 0.00 N ATOM 1729 CA MET A 107 6.776 -9.757 2.688 1.00 0.00 C ATOM 1730 C MET A 107 5.656 -10.787 2.593 1.00 0.00 C ATOM 1731 O MET A 107 4.819 -10.725 1.693 1.00 0.00 O ATOM 1732 CB MET A 107 8.051 -10.310 2.048 1.00 0.00 C ATOM 1733 CG MET A 107 7.803 -11.053 0.745 1.00 0.00 C ATOM 1734 SD MET A 107 9.269 -11.126 -0.302 1.00 0.00 S ATOM 1735 CE MET A 107 9.492 -12.897 -0.449 1.00 0.00 C ATOM 0 H MET A 107 7.733 -9.956 4.544 1.00 0.00 H new ATOM 0 HA MET A 107 6.467 -8.861 2.149 1.00 0.00 H new ATOM 0 HB2 MET A 107 8.741 -9.487 1.862 1.00 0.00 H new ATOM 0 HB3 MET A 107 8.540 -10.982 2.753 1.00 0.00 H new ATOM 0 HG2 MET A 107 7.469 -12.067 0.967 1.00 0.00 H new ATOM 0 HG3 MET A 107 6.996 -10.564 0.200 1.00 0.00 H new ATOM 0 HE1 MET A 107 10.363 -13.104 -1.070 1.00 0.00 H new ATOM 0 HE2 MET A 107 9.641 -13.328 0.541 1.00 0.00 H new ATOM 0 HE3 MET A 107 8.607 -13.338 -0.907 1.00 0.00 H new ATOM 1745 N GLU A 108 5.648 -11.735 3.525 1.00 0.00 N ATOM 1746 CA GLU A 108 4.631 -12.779 3.543 1.00 0.00 C ATOM 1747 C GLU A 108 3.235 -12.177 3.680 1.00 0.00 C ATOM 1748 O GLU A 108 2.278 -12.655 3.070 1.00 0.00 O ATOM 1749 CB GLU A 108 4.891 -13.756 4.692 1.00 0.00 C ATOM 1750 CG GLU A 108 4.172 -13.388 5.979 1.00 0.00 C ATOM 1751 CD GLU A 108 4.315 -14.450 7.052 1.00 0.00 C ATOM 1752 OE1 GLU A 108 3.965 -15.618 6.781 1.00 0.00 O ATOM 1753 OE2 GLU A 108 4.778 -14.113 8.161 1.00 0.00 O ATOM 0 H GLU A 108 6.334 -11.801 4.277 1.00 0.00 H new ATOM 0 HA GLU A 108 4.685 -13.318 2.597 1.00 0.00 H new ATOM 0 HB2 GLU A 108 4.581 -14.755 4.385 1.00 0.00 H new ATOM 0 HB3 GLU A 108 5.963 -13.800 4.885 1.00 0.00 H new ATOM 0 HG2 GLU A 108 4.566 -12.443 6.353 1.00 0.00 H new ATOM 0 HG3 GLU A 108 3.114 -13.231 5.768 1.00 0.00 H new ATOM 1760 N LEU A 109 3.127 -11.126 4.485 1.00 0.00 N ATOM 1761 CA LEU A 109 1.849 -10.458 4.703 1.00 0.00 C ATOM 1762 C LEU A 109 1.374 -9.762 3.432 1.00 0.00 C ATOM 1763 O LEU A 109 0.243 -9.961 2.989 1.00 0.00 O ATOM 1764 CB LEU A 109 1.970 -9.441 5.840 1.00 0.00 C ATOM 1765 CG LEU A 109 2.521 -9.975 7.163 1.00 0.00 C ATOM 1766 CD1 LEU A 109 2.654 -8.851 8.178 1.00 0.00 C ATOM 1767 CD2 LEU A 109 1.628 -11.082 7.703 1.00 0.00 C ATOM 0 H LEU A 109 3.909 -10.718 4.997 1.00 0.00 H new ATOM 0 HA LEU A 109 1.114 -11.215 4.977 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.612 -8.626 5.505 1.00 0.00 H new ATOM 0 HB3 LEU A 109 0.984 -9.015 6.026 1.00 0.00 H new ATOM 0 HG LEU A 109 3.512 -10.391 6.981 1.00 0.00 H new ATOM 0 HD11 LEU A 109 3.047 -9.250 9.113 1.00 0.00 H new ATOM 0 HD12 LEU A 109 3.334 -8.091 7.793 1.00 0.00 H new ATOM 0 HD13 LEU A 109 1.676 -8.405 8.357 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.035 -11.451 8.645 1.00 0.00 H new ATOM 0 HD22 LEU A 109 0.624 -10.691 7.869 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.584 -11.899 6.982 1.00 0.00 H new ATOM 1779 N TRP A 110 2.246 -8.948 2.848 1.00 0.00 N ATOM 1780 CA TRP A 110 1.916 -8.225 1.625 1.00 0.00 C ATOM 1781 C TRP A 110 1.597 -9.191 0.490 1.00 0.00 C ATOM 1782 O TRP A 110 0.592 -9.038 -0.203 1.00 0.00 O ATOM 1783 CB TRP A 110 3.074 -7.310 1.222 1.00 0.00 C ATOM 1784 CG TRP A 110 2.988 -5.942 1.828 1.00 0.00 C ATOM 1785 CD1 TRP A 110 3.922 -5.336 2.619 1.00 0.00 C ATOM 1786 CD2 TRP A 110 1.909 -5.011 1.694 1.00 0.00 C ATOM 1787 NE1 TRP A 110 3.488 -4.084 2.985 1.00 0.00 N ATOM 1788 CE2 TRP A 110 2.257 -3.861 2.430 1.00 0.00 C ATOM 1789 CE3 TRP A 110 0.684 -5.035 1.022 1.00 0.00 C ATOM 1790 CZ2 TRP A 110 1.422 -2.749 2.512 1.00 0.00 C ATOM 1791 CZ3 TRP A 110 -0.144 -3.932 1.105 1.00 0.00 C ATOM 1792 CH2 TRP A 110 0.228 -2.801 1.845 1.00 0.00 C ATOM 0 H TRP A 110 3.187 -8.772 3.201 1.00 0.00 H new ATOM 0 HA TRP A 110 1.032 -7.618 1.819 1.00 0.00 H new ATOM 0 HB2 TRP A 110 4.015 -7.773 1.520 1.00 0.00 H new ATOM 0 HB3 TRP A 110 3.094 -7.218 0.136 1.00 0.00 H new ATOM 0 HD1 TRP A 110 4.863 -5.776 2.914 1.00 0.00 H new ATOM 0 HE1 TRP A 110 4.000 -3.428 3.574 1.00 0.00 H new ATOM 0 HE3 TRP A 110 0.390 -5.901 0.448 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 1.707 -1.877 3.082 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -1.094 -3.941 0.591 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -0.441 -1.954 1.890 1.00 0.00 H new ATOM 1803 N MET A 111 2.458 -10.187 0.307 1.00 0.00 N ATOM 1804 CA MET A 111 2.265 -11.179 -0.744 1.00 0.00 C ATOM 1805 C MET A 111 0.921 -11.883 -0.588 1.00 0.00 C ATOM 1806 O MET A 111 0.077 -11.839 -1.483 1.00 0.00 O ATOM 1807 CB MET A 111 3.398 -12.207 -0.719 1.00 0.00 C ATOM 1808 CG MET A 111 4.698 -11.694 -1.318 1.00 0.00 C ATOM 1809 SD MET A 111 5.692 -13.009 -2.049 1.00 0.00 S ATOM 1810 CE MET A 111 6.190 -12.241 -3.589 1.00 0.00 C ATOM 0 H MET A 111 3.295 -10.328 0.872 1.00 0.00 H new ATOM 0 HA MET A 111 2.275 -10.661 -1.703 1.00 0.00 H new ATOM 0 HB2 MET A 111 3.578 -12.512 0.312 1.00 0.00 H new ATOM 0 HB3 MET A 111 3.082 -13.097 -1.264 1.00 0.00 H new ATOM 0 HG2 MET A 111 4.473 -10.948 -2.080 1.00 0.00 H new ATOM 0 HG3 MET A 111 5.278 -11.193 -0.543 1.00 0.00 H new ATOM 0 HE1 MET A 111 5.796 -12.817 -4.427 1.00 0.00 H new ATOM 0 HE2 MET A 111 5.799 -11.224 -3.632 1.00 0.00 H new ATOM 0 HE3 MET A 111 7.278 -12.214 -3.647 1.00 0.00 H new ATOM 1820 N LYS A 112 0.728 -12.532 0.556 1.00 0.00 N ATOM 1821 CA LYS A 112 -0.514 -13.245 0.831 1.00 0.00 C ATOM 1822 C LYS A 112 -1.717 -12.458 0.320 1.00 0.00 C ATOM 1823 O LYS A 112 -2.644 -13.028 -0.255 1.00 0.00 O ATOM 1824 CB LYS A 112 -0.658 -13.499 2.333 1.00 0.00 C ATOM 1825 CG LYS A 112 0.175 -14.666 2.835 1.00 0.00 C ATOM 1826 CD LYS A 112 -0.435 -15.999 2.435 1.00 0.00 C ATOM 1827 CE LYS A 112 -1.631 -16.349 3.307 1.00 0.00 C ATOM 1828 NZ LYS A 112 -1.217 -16.997 4.582 1.00 0.00 N ATOM 0 H LYS A 112 1.416 -12.579 1.307 1.00 0.00 H new ATOM 0 HA LYS A 112 -0.479 -14.201 0.309 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -0.370 -12.598 2.875 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -1.707 -13.687 2.562 1.00 0.00 H new ATOM 0 HG2 LYS A 112 1.186 -14.592 2.433 1.00 0.00 H new ATOM 0 HG3 LYS A 112 0.259 -14.614 3.921 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -0.744 -15.960 1.390 1.00 0.00 H new ATOM 0 HD3 LYS A 112 0.317 -16.783 2.516 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -2.197 -15.444 3.527 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -2.297 -17.017 2.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -2.061 -17.220 5.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -0.698 -17.874 4.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -0.602 -16.350 5.117 1.00 0.00 H new ATOM 1842 N ALA A 113 -1.695 -11.147 0.534 1.00 0.00 N ATOM 1843 CA ALA A 113 -2.783 -10.283 0.092 1.00 0.00 C ATOM 1844 C ALA A 113 -2.662 -9.965 -1.394 1.00 0.00 C ATOM 1845 O ALA A 113 -3.499 -10.378 -2.196 1.00 0.00 O ATOM 1846 CB ALA A 113 -2.801 -8.999 0.909 1.00 0.00 C ATOM 0 H ALA A 113 -0.936 -10.660 1.011 1.00 0.00 H new ATOM 0 HA ALA A 113 -3.722 -10.814 0.248 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -3.618 -8.363 0.569 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -2.943 -9.240 1.962 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -1.855 -8.473 0.782 1.00 0.00 H new ATOM 1852 N MET A 114 -1.616 -9.229 -1.754 1.00 0.00 N ATOM 1853 CA MET A 114 -1.387 -8.856 -3.145 1.00 0.00 C ATOM 1854 C MET A 114 -1.789 -9.989 -4.085 1.00 0.00 C ATOM 1855 O MET A 114 -2.638 -9.812 -4.959 1.00 0.00 O ATOM 1856 CB MET A 114 0.084 -8.495 -3.363 1.00 0.00 C ATOM 1857 CG MET A 114 0.490 -7.183 -2.712 1.00 0.00 C ATOM 1858 SD MET A 114 1.983 -6.480 -3.438 1.00 0.00 S ATOM 1859 CE MET A 114 2.602 -5.508 -2.066 1.00 0.00 C ATOM 0 H MET A 114 -0.914 -8.879 -1.102 1.00 0.00 H new ATOM 0 HA MET A 114 -2.004 -7.986 -3.368 1.00 0.00 H new ATOM 0 HB2 MET A 114 0.709 -9.296 -2.968 1.00 0.00 H new ATOM 0 HB3 MET A 114 0.281 -8.436 -4.434 1.00 0.00 H new ATOM 0 HG2 MET A 114 -0.327 -6.467 -2.806 1.00 0.00 H new ATOM 0 HG3 MET A 114 0.651 -7.345 -1.646 1.00 0.00 H new ATOM 0 HE1 MET A 114 2.460 -4.448 -2.277 1.00 0.00 H new ATOM 0 HE2 MET A 114 2.060 -5.773 -1.158 1.00 0.00 H new ATOM 0 HE3 MET A 114 3.664 -5.711 -1.926 1.00 0.00 H new ATOM 1869 N LEU A 115 -1.173 -11.151 -3.899 1.00 0.00 N ATOM 1870 CA LEU A 115 -1.467 -12.314 -4.731 1.00 0.00 C ATOM 1871 C LEU A 115 -2.966 -12.593 -4.766 1.00 0.00 C ATOM 1872 O LEU A 115 -3.524 -12.910 -5.817 1.00 0.00 O ATOM 1873 CB LEU A 115 -0.719 -13.542 -4.208 1.00 0.00 C ATOM 1874 CG LEU A 115 0.686 -13.761 -4.768 1.00 0.00 C ATOM 1875 CD1 LEU A 115 0.627 -14.056 -6.259 1.00 0.00 C ATOM 1876 CD2 LEU A 115 1.564 -12.548 -4.497 1.00 0.00 C ATOM 0 H LEU A 115 -0.468 -11.314 -3.181 1.00 0.00 H new ATOM 0 HA LEU A 115 -1.133 -12.098 -5.746 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -0.648 -13.464 -3.123 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -1.317 -14.427 -4.426 1.00 0.00 H new ATOM 0 HG LEU A 115 1.126 -14.622 -4.265 1.00 0.00 H new ATOM 0 HD11 LEU A 115 1.637 -14.209 -6.640 1.00 0.00 H new ATOM 0 HD12 LEU A 115 0.035 -14.955 -6.429 1.00 0.00 H new ATOM 0 HD13 LEU A 115 0.167 -13.215 -6.778 1.00 0.00 H new ATOM 0 HD21 LEU A 115 2.561 -12.722 -4.903 1.00 0.00 H new ATOM 0 HD22 LEU A 115 1.127 -11.669 -4.972 1.00 0.00 H new ATOM 0 HD23 LEU A 115 1.634 -12.382 -3.422 1.00 0.00 H new ATOM 1888 N ASP A 116 -3.612 -12.472 -3.612 1.00 0.00 N ATOM 1889 CA ASP A 116 -5.048 -12.708 -3.511 1.00 0.00 C ATOM 1890 C ASP A 116 -5.831 -11.591 -4.193 1.00 0.00 C ATOM 1891 O ASP A 116 -6.969 -11.788 -4.620 1.00 0.00 O ATOM 1892 CB ASP A 116 -5.466 -12.820 -2.044 1.00 0.00 C ATOM 1893 CG ASP A 116 -6.679 -13.708 -1.854 1.00 0.00 C ATOM 1894 OD1 ASP A 116 -7.813 -13.193 -1.948 1.00 0.00 O ATOM 1895 OD2 ASP A 116 -6.495 -14.919 -1.612 1.00 0.00 O ATOM 0 H ASP A 116 -3.165 -12.212 -2.733 1.00 0.00 H new ATOM 0 HA ASP A 116 -5.274 -13.647 -4.017 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -4.634 -13.216 -1.462 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -5.683 -11.825 -1.654 1.00 0.00 H new ATOM 1900 N ALA A 117 -5.216 -10.417 -4.290 1.00 0.00 N ATOM 1901 CA ALA A 117 -5.855 -9.269 -4.920 1.00 0.00 C ATOM 1902 C ALA A 117 -5.383 -9.099 -6.360 1.00 0.00 C ATOM 1903 O ALA A 117 -5.846 -8.210 -7.074 1.00 0.00 O ATOM 1904 CB ALA A 117 -5.578 -8.005 -4.119 1.00 0.00 C ATOM 0 H ALA A 117 -4.275 -10.236 -3.940 1.00 0.00 H new ATOM 0 HA ALA A 117 -6.930 -9.447 -4.937 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -6.061 -7.155 -4.601 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -5.971 -8.121 -3.109 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -4.503 -7.832 -4.072 1.00 0.00 H new ATOM 1910 N ALA A 118 -4.460 -9.958 -6.780 1.00 0.00 N ATOM 1911 CA ALA A 118 -3.926 -9.903 -8.135 1.00 0.00 C ATOM 1912 C ALA A 118 -4.423 -11.080 -8.969 1.00 0.00 C ATOM 1913 O ALA A 118 -4.811 -10.914 -10.126 1.00 0.00 O ATOM 1914 CB ALA A 118 -2.405 -9.882 -8.103 1.00 0.00 C ATOM 0 H ALA A 118 -4.067 -10.700 -6.201 1.00 0.00 H new ATOM 0 HA ALA A 118 -4.281 -8.984 -8.602 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -2.020 -9.841 -9.122 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -2.065 -9.006 -7.551 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -2.039 -10.784 -7.613 1.00 0.00 H new ATOM 1920 N LEU A 119 -4.408 -12.268 -8.374 1.00 0.00 N ATOM 1921 CA LEU A 119 -4.857 -13.473 -9.062 1.00 0.00 C ATOM 1922 C LEU A 119 -6.274 -13.298 -9.599 1.00 0.00 C ATOM 1923 O LEU A 119 -6.715 -14.044 -10.473 1.00 0.00 O ATOM 1924 CB LEU A 119 -4.802 -14.674 -8.116 1.00 0.00 C ATOM 1925 CG LEU A 119 -6.067 -14.945 -7.301 1.00 0.00 C ATOM 1926 CD1 LEU A 119 -6.526 -13.680 -6.592 1.00 0.00 C ATOM 1927 CD2 LEU A 119 -7.172 -15.487 -8.196 1.00 0.00 C ATOM 0 H LEU A 119 -4.090 -12.422 -7.417 1.00 0.00 H new ATOM 0 HA LEU A 119 -4.189 -13.651 -9.905 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -4.575 -15.564 -8.703 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -3.972 -14.528 -7.424 1.00 0.00 H new ATOM 0 HG LEU A 119 -5.836 -15.697 -6.546 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -7.427 -13.892 -6.017 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -5.740 -13.334 -5.921 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -6.740 -12.907 -7.330 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -8.065 -15.674 -7.599 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -7.401 -14.758 -8.973 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -6.843 -16.418 -8.658 1.00 0.00 H new