USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 600 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 29 GLN : amide:sc= -1.82 K(o=-2.7,f=0.66) USER MOD Set 1.2: A 92 GLN : amide:sc= -0.917! C(o=-2.7!,f=-3.3!) USER MOD Single : A 23 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0602) USER MOD Single : A 25 LYS NZ :NH3+ -160:sc= 1.27 (180deg=1.02) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -0.831 X(o=-0.83,f=-1.1) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -172:sc= -1.54 (180deg=-1.91) USER MOD Single : A 41 THR OG1 : rot -38:sc= 0.978 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.00914 USER MOD Single : A 43 HIS : no HD1:sc= -0.824 K(o=-0.82,f=-0.00052) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0756) USER MOD Single : A 48 LYS NZ :NH3+ 152:sc= -0.176 (180deg=-1.4!) USER MOD Single : A 50 SER OG : rot 9:sc= 1.28 USER MOD Single : A 51 TYR OH : rot 29:sc= -2.55 USER MOD Single : A 52 CYS SG : rot 88:sc= -4.55! USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 55 GLN : amide:sc= -3.24! K(o=-3.2!,f=-0.78) USER MOD Single : A 59 MET CE :methyl 162:sc= -0.0917 (180deg=-0.835) USER MOD Single : A 60 ASN : amide:sc= -1.83! C(o=-1.8!,f=-3.4!) USER MOD Single : A 61 SER OG : rot -160:sc= -2.16! USER MOD Single : A 69 GLN : amide:sc= -2.45! C(o=-2.4!,f=-2.5!) USER MOD Single : A 74 ASN : amide:sc= -0.0238 X(o=-0.024,f=0) USER MOD Single : A 75 HIS : no HD1:sc= -1.88 K(o=-1.9,f=-6.2!) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.184 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 155:sc= -1.15 (180deg=-2.23) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 311 N ILE A 22 -3.904 9.150 7.414 1.00 0.00 N ATOM 312 CA ILE A 22 -5.120 8.632 6.826 1.00 0.00 C ATOM 313 C ILE A 22 -5.058 7.114 6.747 1.00 0.00 C ATOM 314 O ILE A 22 -4.029 6.503 7.028 1.00 0.00 O ATOM 315 CB ILE A 22 -5.393 9.220 5.421 1.00 0.00 C ATOM 316 CG1 ILE A 22 -4.371 8.703 4.412 1.00 0.00 C ATOM 317 CG2 ILE A 22 -5.374 10.744 5.474 1.00 0.00 C ATOM 318 CD1 ILE A 22 -4.595 9.205 2.997 1.00 0.00 C ATOM 0 HA ILE A 22 -5.943 8.935 7.473 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.382 8.897 5.096 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.373 8.997 4.737 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.397 7.613 4.409 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.567 11.145 4.479 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.144 11.094 6.162 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.397 11.084 5.819 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.829 8.794 2.340 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.579 8.889 2.650 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.538 10.293 2.984 1.00 0.00 H new ATOM 330 N LYS A 23 -6.154 6.504 6.387 1.00 0.00 N ATOM 331 CA LYS A 23 -6.218 5.060 6.304 1.00 0.00 C ATOM 332 C LYS A 23 -6.589 4.671 4.900 1.00 0.00 C ATOM 333 O LYS A 23 -7.340 5.368 4.253 1.00 0.00 O ATOM 334 CB LYS A 23 -7.266 4.482 7.282 1.00 0.00 C ATOM 335 CG LYS A 23 -7.232 5.054 8.705 1.00 0.00 C ATOM 336 CD LYS A 23 -7.885 6.442 8.788 1.00 0.00 C ATOM 337 CE LYS A 23 -9.367 6.408 8.414 1.00 0.00 C ATOM 338 NZ LYS A 23 -10.166 5.595 9.361 1.00 0.00 N ATOM 0 H LYS A 23 -7.022 6.982 6.144 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.242 4.656 6.574 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.259 4.652 6.865 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.126 3.403 7.340 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.746 4.371 9.382 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.198 5.120 9.044 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.777 6.832 9.800 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.360 7.129 8.124 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.758 7.425 8.392 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.477 6.003 7.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.177 5.696 9.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -9.892 4.595 9.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.991 5.922 10.333 1.00 0.00 H new ATOM 352 N LEU A 24 -6.033 3.606 4.403 1.00 0.00 N ATOM 353 CA LEU A 24 -6.399 3.133 3.083 1.00 0.00 C ATOM 354 C LEU A 24 -6.581 1.634 3.077 1.00 0.00 C ATOM 355 O LEU A 24 -6.077 0.921 3.961 1.00 0.00 O ATOM 356 CB LEU A 24 -5.378 3.552 2.014 1.00 0.00 C ATOM 357 CG LEU A 24 -5.263 5.051 1.731 1.00 0.00 C ATOM 358 CD1 LEU A 24 -4.226 5.685 2.631 1.00 0.00 C ATOM 359 CD2 LEU A 24 -4.929 5.297 0.270 1.00 0.00 C ATOM 0 H LEU A 24 -5.328 3.045 4.881 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.350 3.603 2.831 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.397 3.186 2.317 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.633 3.047 1.082 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.227 5.514 1.942 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.159 6.751 2.414 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.513 5.544 3.673 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.257 5.218 2.455 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.852 6.369 0.090 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.980 4.819 0.028 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.716 4.879 -0.358 1.00 0.00 H new ATOM 371 N LYS A 25 -7.301 1.146 2.093 1.00 0.00 N ATOM 372 CA LYS A 25 -7.560 -0.265 1.980 1.00 0.00 C ATOM 373 C LYS A 25 -7.170 -0.765 0.610 1.00 0.00 C ATOM 374 O LYS A 25 -7.337 -0.081 -0.393 1.00 0.00 O ATOM 375 CB LYS A 25 -9.038 -0.563 2.279 1.00 0.00 C ATOM 376 CG LYS A 25 -9.386 -2.052 2.337 1.00 0.00 C ATOM 377 CD LYS A 25 -9.864 -2.595 0.996 1.00 0.00 C ATOM 378 CE LYS A 25 -11.177 -1.962 0.548 1.00 0.00 C ATOM 379 NZ LYS A 25 -12.327 -2.370 1.390 1.00 0.00 N ATOM 0 H LYS A 25 -7.719 1.713 1.356 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.953 -0.793 2.716 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.303 -0.104 3.231 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.653 -0.089 1.514 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.510 -2.614 2.661 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.161 -2.211 3.086 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.100 -2.414 0.240 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.991 -3.675 1.069 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.080 -0.877 0.575 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.374 -2.239 -0.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.213 -2.205 0.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.245 -3.380 1.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.331 -1.811 2.267 1.00 0.00 H new ATOM 393 N VAL A 26 -6.633 -1.951 0.572 1.00 0.00 N ATOM 394 CA VAL A 26 -6.202 -2.555 -0.669 1.00 0.00 C ATOM 395 C VAL A 26 -6.978 -3.820 -0.953 1.00 0.00 C ATOM 396 O VAL A 26 -7.305 -4.578 -0.039 1.00 0.00 O ATOM 397 CB VAL A 26 -4.663 -2.854 -0.640 1.00 0.00 C ATOM 398 CG1 VAL A 26 -4.328 -4.215 -1.252 1.00 0.00 C ATOM 399 CG2 VAL A 26 -3.903 -1.760 -1.365 1.00 0.00 C ATOM 0 H VAL A 26 -6.479 -2.531 1.397 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.400 -1.844 -1.471 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.358 -2.880 0.406 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.251 -4.378 -1.210 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.836 -5.000 -0.693 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.658 -4.238 -2.291 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.836 -1.979 -1.338 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.237 -1.710 -2.401 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.089 -0.803 -0.878 1.00 0.00 H new ATOM 409 N ILE A 27 -7.292 -4.042 -2.214 1.00 0.00 N ATOM 410 CA ILE A 27 -7.920 -5.264 -2.622 1.00 0.00 C ATOM 411 C ILE A 27 -6.869 -6.103 -3.278 1.00 0.00 C ATOM 412 O ILE A 27 -6.293 -5.709 -4.288 1.00 0.00 O ATOM 413 CB ILE A 27 -9.077 -5.051 -3.619 1.00 0.00 C ATOM 414 CG1 ILE A 27 -10.160 -4.153 -3.012 1.00 0.00 C ATOM 415 CG2 ILE A 27 -9.668 -6.405 -4.033 1.00 0.00 C ATOM 416 CD1 ILE A 27 -10.824 -4.737 -1.788 1.00 0.00 C ATOM 0 H ILE A 27 -7.117 -3.382 -2.972 1.00 0.00 H new ATOM 0 HA ILE A 27 -8.350 -5.738 -1.740 1.00 0.00 H new ATOM 0 HB ILE A 27 -8.685 -4.553 -4.506 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -9.717 -3.193 -2.749 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -10.921 -3.957 -3.767 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -10.485 -6.246 -4.737 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -8.894 -7.010 -4.505 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -10.045 -6.922 -3.151 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -11.578 -4.043 -1.417 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -11.298 -5.683 -2.048 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -10.075 -4.907 -1.014 1.00 0.00 H new ATOM 428 N GLY A 28 -6.608 -7.244 -2.725 1.00 0.00 N ATOM 429 CA GLY A 28 -5.566 -8.060 -3.237 1.00 0.00 C ATOM 430 C GLY A 28 -6.067 -9.009 -4.276 1.00 0.00 C ATOM 431 O GLY A 28 -7.263 -9.252 -4.381 1.00 0.00 O ATOM 0 H GLY A 28 -7.104 -7.627 -1.920 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -4.787 -7.429 -3.666 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.109 -8.621 -2.422 1.00 0.00 H new ATOM 435 N GLN A 29 -5.157 -9.551 -5.046 1.00 0.00 N ATOM 436 CA GLN A 29 -5.477 -10.551 -6.051 1.00 0.00 C ATOM 437 C GLN A 29 -6.115 -11.781 -5.406 1.00 0.00 C ATOM 438 O GLN A 29 -6.866 -12.521 -6.034 1.00 0.00 O ATOM 439 CB GLN A 29 -4.220 -10.948 -6.844 1.00 0.00 C ATOM 440 CG GLN A 29 -2.859 -10.698 -6.144 1.00 0.00 C ATOM 441 CD GLN A 29 -2.729 -11.325 -4.743 1.00 0.00 C ATOM 442 OE1 GLN A 29 -2.467 -12.505 -4.608 1.00 0.00 O ATOM 443 NE2 GLN A 29 -2.824 -10.507 -3.699 1.00 0.00 N ATOM 0 H GLN A 29 -4.166 -9.314 -4.998 1.00 0.00 H new ATOM 0 HA GLN A 29 -6.196 -10.116 -6.745 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -4.290 -12.008 -7.088 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.225 -10.403 -7.788 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.063 -11.090 -6.777 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -2.701 -9.623 -6.062 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.045 -9.522 -3.842 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -2.676 -10.865 -2.755 1.00 0.00 H new ATOM 452 N ASP A 30 -5.809 -11.983 -4.140 1.00 0.00 N ATOM 453 CA ASP A 30 -6.365 -13.072 -3.349 1.00 0.00 C ATOM 454 C ASP A 30 -7.754 -12.690 -2.825 1.00 0.00 C ATOM 455 O ASP A 30 -8.411 -13.468 -2.145 1.00 0.00 O ATOM 456 CB ASP A 30 -5.403 -13.371 -2.176 1.00 0.00 C ATOM 457 CG ASP A 30 -5.905 -14.433 -1.209 1.00 0.00 C ATOM 458 OD1 ASP A 30 -5.724 -15.635 -1.490 1.00 0.00 O ATOM 459 OD2 ASP A 30 -6.466 -14.064 -0.154 1.00 0.00 O ATOM 0 H ASP A 30 -5.160 -11.391 -3.622 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.474 -13.963 -3.967 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.443 -13.690 -2.581 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.225 -12.448 -1.624 1.00 0.00 H new ATOM 464 N SER A 31 -8.209 -11.482 -3.197 1.00 0.00 N ATOM 465 CA SER A 31 -9.469 -10.907 -2.716 1.00 0.00 C ATOM 466 C SER A 31 -9.293 -10.467 -1.263 1.00 0.00 C ATOM 467 O SER A 31 -10.245 -10.163 -0.552 1.00 0.00 O ATOM 468 CB SER A 31 -10.632 -11.901 -2.859 1.00 0.00 C ATOM 469 OG SER A 31 -10.654 -12.476 -4.161 1.00 0.00 O ATOM 0 H SER A 31 -7.706 -10.875 -3.845 1.00 0.00 H new ATOM 0 HA SER A 31 -9.720 -10.040 -3.327 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.536 -12.688 -2.111 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.576 -11.392 -2.666 1.00 0.00 H new ATOM 0 HG SER A 31 -11.401 -13.106 -4.228 1.00 0.00 H new ATOM 475 N SER A 32 -8.037 -10.431 -0.850 1.00 0.00 N ATOM 476 CA SER A 32 -7.649 -10.065 0.488 1.00 0.00 C ATOM 477 C SER A 32 -7.726 -8.553 0.671 1.00 0.00 C ATOM 478 O SER A 32 -7.025 -7.804 -0.003 1.00 0.00 O ATOM 479 CB SER A 32 -6.211 -10.545 0.732 1.00 0.00 C ATOM 480 OG SER A 32 -5.943 -10.718 2.115 1.00 0.00 O ATOM 0 H SER A 32 -7.248 -10.661 -1.454 1.00 0.00 H new ATOM 0 HA SER A 32 -8.327 -10.532 1.203 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.048 -11.487 0.209 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.510 -9.823 0.313 1.00 0.00 H new ATOM 0 HG SER A 32 -5.020 -11.026 2.233 1.00 0.00 H new ATOM 486 N GLU A 33 -8.598 -8.100 1.555 1.00 0.00 N ATOM 487 CA GLU A 33 -8.710 -6.683 1.837 1.00 0.00 C ATOM 488 C GLU A 33 -7.766 -6.306 2.955 1.00 0.00 C ATOM 489 O GLU A 33 -7.954 -6.693 4.108 1.00 0.00 O ATOM 490 CB GLU A 33 -10.135 -6.303 2.215 1.00 0.00 C ATOM 491 CG GLU A 33 -11.167 -6.638 1.154 1.00 0.00 C ATOM 492 CD GLU A 33 -12.557 -6.187 1.532 1.00 0.00 C ATOM 493 OE1 GLU A 33 -12.762 -4.965 1.718 1.00 0.00 O ATOM 494 OE2 GLU A 33 -13.456 -7.040 1.637 1.00 0.00 O ATOM 0 H GLU A 33 -9.236 -8.692 2.087 1.00 0.00 H new ATOM 0 HA GLU A 33 -8.443 -6.137 0.932 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.402 -6.813 3.141 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -10.173 -5.233 2.418 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -10.880 -6.169 0.213 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -11.172 -7.715 0.985 1.00 0.00 H new ATOM 501 N ILE A 34 -6.750 -5.561 2.623 1.00 0.00 N ATOM 502 CA ILE A 34 -5.767 -5.154 3.595 1.00 0.00 C ATOM 503 C ILE A 34 -6.052 -3.733 4.048 1.00 0.00 C ATOM 504 O ILE A 34 -6.388 -2.873 3.237 1.00 0.00 O ATOM 505 CB ILE A 34 -4.337 -5.230 3.013 1.00 0.00 C ATOM 506 CG1 ILE A 34 -4.064 -6.622 2.416 1.00 0.00 C ATOM 507 CG2 ILE A 34 -3.311 -4.904 4.088 1.00 0.00 C ATOM 508 CD1 ILE A 34 -4.118 -7.750 3.428 1.00 0.00 C ATOM 0 H ILE A 34 -6.577 -5.219 1.678 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.829 -5.835 4.444 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.253 -4.493 2.214 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.793 -6.818 1.630 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.081 -6.617 1.945 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.309 -4.961 3.664 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.488 -3.897 4.466 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.401 -5.620 4.905 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.915 -8.697 2.928 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.370 -7.580 4.202 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.108 -7.784 3.882 1.00 0.00 H new ATOM 520 N HIS A 35 -5.935 -3.477 5.339 1.00 0.00 N ATOM 521 CA HIS A 35 -6.174 -2.147 5.884 1.00 0.00 C ATOM 522 C HIS A 35 -4.889 -1.643 6.515 1.00 0.00 C ATOM 523 O HIS A 35 -4.238 -2.365 7.268 1.00 0.00 O ATOM 524 CB HIS A 35 -7.290 -2.162 6.946 1.00 0.00 C ATOM 525 CG HIS A 35 -8.665 -2.459 6.417 1.00 0.00 C ATOM 526 ND1 HIS A 35 -9.809 -1.885 6.927 1.00 0.00 N ATOM 527 CD2 HIS A 35 -9.077 -3.295 5.440 1.00 0.00 C ATOM 528 CE1 HIS A 35 -10.860 -2.357 6.292 1.00 0.00 C ATOM 529 NE2 HIS A 35 -10.447 -3.219 5.383 1.00 0.00 N ATOM 0 H HIS A 35 -5.674 -4.175 6.035 1.00 0.00 H new ATOM 0 HA HIS A 35 -6.492 -1.492 5.073 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -7.040 -2.905 7.704 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -7.310 -1.193 7.444 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -8.445 -3.911 4.817 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -11.888 -2.085 6.483 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -11.046 -3.742 4.744 1.00 0.00 H new ATOM 538 N PHE A 36 -4.513 -0.425 6.211 1.00 0.00 N ATOM 539 CA PHE A 36 -3.276 0.148 6.736 1.00 0.00 C ATOM 540 C PHE A 36 -3.431 1.633 6.993 1.00 0.00 C ATOM 541 O PHE A 36 -4.402 2.255 6.558 1.00 0.00 O ATOM 542 CB PHE A 36 -2.110 -0.117 5.776 1.00 0.00 C ATOM 543 CG PHE A 36 -2.537 -0.167 4.349 1.00 0.00 C ATOM 544 CD1 PHE A 36 -2.759 0.990 3.640 1.00 0.00 C ATOM 545 CD2 PHE A 36 -2.745 -1.382 3.724 1.00 0.00 C ATOM 546 CE1 PHE A 36 -3.177 0.933 2.334 1.00 0.00 C ATOM 547 CE2 PHE A 36 -3.167 -1.437 2.422 1.00 0.00 C ATOM 548 CZ PHE A 36 -3.383 -0.279 1.727 1.00 0.00 C ATOM 0 H PHE A 36 -5.041 0.199 5.601 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.056 -0.336 7.687 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.360 0.664 5.899 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.634 -1.061 6.041 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.604 1.948 4.113 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.573 -2.299 4.268 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.344 1.846 1.782 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.329 -2.393 1.945 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.716 -0.319 0.700 1.00 0.00 H new ATOM 558 N LYS A 37 -2.470 2.209 7.692 1.00 0.00 N ATOM 559 CA LYS A 37 -2.524 3.605 8.063 1.00 0.00 C ATOM 560 C LYS A 37 -1.249 4.324 7.630 1.00 0.00 C ATOM 561 O LYS A 37 -0.150 4.013 8.106 1.00 0.00 O ATOM 562 CB LYS A 37 -2.708 3.714 9.576 1.00 0.00 C ATOM 563 CG LYS A 37 -3.957 3.002 10.070 1.00 0.00 C ATOM 564 CD LYS A 37 -3.970 2.849 11.576 1.00 0.00 C ATOM 565 CE LYS A 37 -5.173 2.039 12.016 1.00 0.00 C ATOM 566 NZ LYS A 37 -5.171 1.779 13.477 1.00 0.00 N ATOM 0 H LYS A 37 -1.635 1.722 8.016 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.366 4.079 7.559 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.835 3.294 10.075 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.760 4.766 9.856 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.839 3.559 9.756 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.020 2.018 9.606 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.054 2.359 11.906 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -3.993 3.832 12.047 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -6.085 2.570 11.745 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -5.185 1.090 11.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.012 1.222 13.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -4.314 1.249 13.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.186 2.683 13.991 1.00 0.00 H new ATOM 580 N VAL A 38 -1.385 5.274 6.723 1.00 0.00 N ATOM 581 CA VAL A 38 -0.246 6.044 6.232 1.00 0.00 C ATOM 582 C VAL A 38 -0.592 7.526 6.194 1.00 0.00 C ATOM 583 O VAL A 38 -1.758 7.903 6.239 1.00 0.00 O ATOM 584 CB VAL A 38 0.227 5.589 4.817 1.00 0.00 C ATOM 585 CG1 VAL A 38 0.720 4.146 4.829 1.00 0.00 C ATOM 586 CG2 VAL A 38 -0.879 5.772 3.790 1.00 0.00 C ATOM 0 H VAL A 38 -2.278 5.536 6.306 1.00 0.00 H new ATOM 0 HA VAL A 38 0.575 5.864 6.926 1.00 0.00 H new ATOM 0 HB VAL A 38 1.067 6.223 4.533 1.00 0.00 H new ATOM 0 HG11 VAL A 38 1.042 3.863 3.827 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.559 4.054 5.519 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.088 3.488 5.150 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.524 5.448 2.812 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.745 5.176 4.078 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.162 6.824 3.743 1.00 0.00 H new ATOM 596 N LYS A 39 0.408 8.369 6.119 1.00 0.00 N ATOM 597 CA LYS A 39 0.180 9.796 6.096 1.00 0.00 C ATOM 598 C LYS A 39 -0.008 10.296 4.658 1.00 0.00 C ATOM 599 O LYS A 39 0.302 9.592 3.704 1.00 0.00 O ATOM 600 CB LYS A 39 1.331 10.516 6.783 1.00 0.00 C ATOM 601 CG LYS A 39 1.036 11.959 7.089 1.00 0.00 C ATOM 602 CD LYS A 39 2.127 12.590 7.910 1.00 0.00 C ATOM 603 CE LYS A 39 1.841 14.056 8.144 1.00 0.00 C ATOM 604 NZ LYS A 39 2.809 14.669 9.091 1.00 0.00 N ATOM 0 H LYS A 39 1.389 8.093 6.073 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.738 10.014 6.641 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.572 9.997 7.711 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.215 10.460 6.148 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.917 12.511 6.157 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.090 12.031 7.625 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.214 12.074 8.866 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.084 12.478 7.400 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.877 14.588 7.194 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.830 14.170 8.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.577 15.674 9.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.757 14.178 10.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.772 14.584 8.707 1.00 0.00 H new ATOM 618 N MET A 40 -0.508 11.516 4.502 1.00 0.00 N ATOM 619 CA MET A 40 -0.786 12.069 3.176 1.00 0.00 C ATOM 620 C MET A 40 0.481 12.457 2.424 1.00 0.00 C ATOM 621 O MET A 40 0.572 12.283 1.209 1.00 0.00 O ATOM 622 CB MET A 40 -1.726 13.273 3.273 1.00 0.00 C ATOM 623 CG MET A 40 -3.163 12.908 3.592 1.00 0.00 C ATOM 624 SD MET A 40 -4.295 13.290 2.237 1.00 0.00 S ATOM 625 CE MET A 40 -3.576 12.326 0.905 1.00 0.00 C ATOM 0 H MET A 40 -0.730 12.143 5.275 1.00 0.00 H new ATOM 0 HA MET A 40 -1.273 11.277 2.607 1.00 0.00 H new ATOM 0 HB2 MET A 40 -1.354 13.950 4.042 1.00 0.00 H new ATOM 0 HB3 MET A 40 -1.701 13.818 2.329 1.00 0.00 H new ATOM 0 HG2 MET A 40 -3.221 11.844 3.820 1.00 0.00 H new ATOM 0 HG3 MET A 40 -3.480 13.444 4.487 1.00 0.00 H new ATOM 0 HE1 MET A 40 -4.078 12.568 -0.032 1.00 0.00 H new ATOM 0 HE2 MET A 40 -2.515 12.559 0.819 1.00 0.00 H new ATOM 0 HE3 MET A 40 -3.698 11.264 1.118 1.00 0.00 H new ATOM 635 N THR A 41 1.464 12.970 3.137 1.00 0.00 N ATOM 636 CA THR A 41 2.699 13.421 2.517 1.00 0.00 C ATOM 637 C THR A 41 3.770 12.322 2.514 1.00 0.00 C ATOM 638 O THR A 41 4.944 12.582 2.241 1.00 0.00 O ATOM 639 CB THR A 41 3.248 14.686 3.231 1.00 0.00 C ATOM 640 OG1 THR A 41 4.413 15.176 2.553 1.00 0.00 O ATOM 641 CG2 THR A 41 3.600 14.380 4.680 1.00 0.00 C ATOM 0 H THR A 41 1.433 13.086 4.150 1.00 0.00 H new ATOM 0 HA THR A 41 2.463 13.669 1.482 1.00 0.00 H new ATOM 0 HB THR A 41 2.468 15.448 3.209 1.00 0.00 H new ATOM 0 HG1 THR A 41 4.952 14.420 2.240 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.982 15.281 5.160 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.709 14.039 5.207 1.00 0.00 H new ATOM 0 HG23 THR A 41 4.361 13.601 4.713 1.00 0.00 H new ATOM 649 N THR A 42 3.376 11.092 2.790 1.00 0.00 N ATOM 650 CA THR A 42 4.337 10.012 2.820 1.00 0.00 C ATOM 651 C THR A 42 4.367 9.291 1.477 1.00 0.00 C ATOM 652 O THR A 42 3.554 9.565 0.594 1.00 0.00 O ATOM 653 CB THR A 42 4.049 9.001 3.964 1.00 0.00 C ATOM 654 OG1 THR A 42 5.237 8.246 4.256 1.00 0.00 O ATOM 655 CG2 THR A 42 2.935 8.038 3.577 1.00 0.00 C ATOM 0 H THR A 42 2.414 10.822 2.993 1.00 0.00 H new ATOM 0 HA THR A 42 5.314 10.455 3.014 1.00 0.00 H new ATOM 0 HB THR A 42 3.737 9.566 4.842 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.052 7.611 4.979 1.00 0.00 H new ATOM 0 HG21 THR A 42 2.755 7.342 4.396 1.00 0.00 H new ATOM 0 HG22 THR A 42 2.024 8.600 3.371 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.228 7.482 2.686 1.00 0.00 H new ATOM 663 N HIS A 43 5.296 8.375 1.318 1.00 0.00 N ATOM 664 CA HIS A 43 5.431 7.647 0.075 1.00 0.00 C ATOM 665 C HIS A 43 4.641 6.351 0.095 1.00 0.00 C ATOM 666 O HIS A 43 4.585 5.647 1.107 1.00 0.00 O ATOM 667 CB HIS A 43 6.897 7.363 -0.235 1.00 0.00 C ATOM 668 CG HIS A 43 7.662 8.555 -0.709 1.00 0.00 C ATOM 669 ND1 HIS A 43 9.004 8.737 -0.468 1.00 0.00 N ATOM 670 CD2 HIS A 43 7.269 9.618 -1.439 1.00 0.00 C ATOM 671 CE1 HIS A 43 9.397 9.861 -1.031 1.00 0.00 C ATOM 672 NE2 HIS A 43 8.364 10.411 -1.625 1.00 0.00 N ATOM 0 H HIS A 43 5.972 8.115 2.037 1.00 0.00 H new ATOM 0 HA HIS A 43 5.022 8.279 -0.713 1.00 0.00 H new ATOM 0 HB2 HIS A 43 7.377 6.969 0.661 1.00 0.00 H new ATOM 0 HB3 HIS A 43 6.952 6.584 -0.995 1.00 0.00 H new ATOM 0 HD2 HIS A 43 6.272 9.807 -1.808 1.00 0.00 H new ATOM 0 HE1 HIS A 43 10.399 10.262 -1.008 1.00 0.00 H new ATOM 0 HE2 HIS A 43 8.377 11.290 -2.142 1.00 0.00 H new ATOM 681 N LEU A 44 4.042 6.032 -1.043 1.00 0.00 N ATOM 682 CA LEU A 44 3.250 4.818 -1.222 1.00 0.00 C ATOM 683 C LEU A 44 4.107 3.574 -1.072 1.00 0.00 C ATOM 684 O LEU A 44 3.593 2.485 -0.863 1.00 0.00 O ATOM 685 CB LEU A 44 2.602 4.821 -2.612 1.00 0.00 C ATOM 686 CG LEU A 44 1.081 5.010 -2.666 1.00 0.00 C ATOM 687 CD1 LEU A 44 0.369 3.779 -2.154 1.00 0.00 C ATOM 688 CD2 LEU A 44 0.661 6.223 -1.875 1.00 0.00 C ATOM 0 H LEU A 44 4.091 6.614 -1.879 1.00 0.00 H new ATOM 0 HA LEU A 44 2.480 4.803 -0.451 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.064 5.614 -3.200 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.845 3.878 -3.102 1.00 0.00 H new ATOM 0 HG LEU A 44 0.800 5.164 -3.708 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.709 3.936 -2.202 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.638 2.921 -2.769 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.663 3.592 -1.121 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.422 6.335 -1.929 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.962 6.101 -0.834 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.139 7.111 -2.289 1.00 0.00 H new ATOM 700 N LYS A 45 5.420 3.741 -1.187 1.00 0.00 N ATOM 701 CA LYS A 45 6.364 2.634 -1.071 1.00 0.00 C ATOM 702 C LYS A 45 6.125 1.811 0.206 1.00 0.00 C ATOM 703 O LYS A 45 6.173 0.587 0.178 1.00 0.00 O ATOM 704 CB LYS A 45 7.796 3.163 -1.126 1.00 0.00 C ATOM 705 CG LYS A 45 8.074 4.313 -0.174 1.00 0.00 C ATOM 706 CD LYS A 45 8.879 3.877 1.029 1.00 0.00 C ATOM 707 CE LYS A 45 10.246 3.350 0.618 1.00 0.00 C ATOM 708 NZ LYS A 45 11.125 3.161 1.780 1.00 0.00 N ATOM 0 H LYS A 45 5.860 4.645 -1.363 1.00 0.00 H new ATOM 0 HA LYS A 45 6.204 1.962 -1.914 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.482 2.346 -0.901 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.012 3.489 -2.144 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.612 5.099 -0.704 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.129 4.743 0.159 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.001 4.718 1.712 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.336 3.103 1.571 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.128 2.402 0.092 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.710 4.046 -0.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 12.048 2.801 1.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 11.257 4.070 2.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.693 2.477 2.434 1.00 0.00 H new ATOM 722 N LYS A 46 5.831 2.496 1.319 1.00 0.00 N ATOM 723 CA LYS A 46 5.544 1.823 2.595 1.00 0.00 C ATOM 724 C LYS A 46 4.269 1.065 2.475 1.00 0.00 C ATOM 725 O LYS A 46 4.170 -0.077 2.842 1.00 0.00 O ATOM 726 CB LYS A 46 5.344 2.833 3.706 1.00 0.00 C ATOM 727 CG LYS A 46 6.359 3.931 3.778 1.00 0.00 C ATOM 728 CD LYS A 46 5.996 4.916 4.883 1.00 0.00 C ATOM 729 CE LYS A 46 5.813 4.215 6.232 1.00 0.00 C ATOM 730 NZ LYS A 46 7.004 3.416 6.626 1.00 0.00 N ATOM 0 H LYS A 46 5.785 3.514 1.363 1.00 0.00 H new ATOM 0 HA LYS A 46 6.387 1.170 2.823 1.00 0.00 H new ATOM 0 HB2 LYS A 46 4.358 3.282 3.590 1.00 0.00 H new ATOM 0 HB3 LYS A 46 5.342 2.302 4.658 1.00 0.00 H new ATOM 0 HG2 LYS A 46 7.347 3.510 3.967 1.00 0.00 H new ATOM 0 HG3 LYS A 46 6.411 4.451 2.821 1.00 0.00 H new ATOM 0 HD2 LYS A 46 6.778 5.671 4.969 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.077 5.438 4.617 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.610 4.961 7.000 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.942 3.562 6.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.871 3.046 7.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.125 2.623 5.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 7.851 4.020 6.602 1.00 0.00 H new ATOM 744 N LEU A 47 3.304 1.720 1.921 1.00 0.00 N ATOM 745 CA LEU A 47 1.969 1.181 1.793 1.00 0.00 C ATOM 746 C LEU A 47 1.998 -0.100 0.968 1.00 0.00 C ATOM 747 O LEU A 47 1.449 -1.132 1.368 1.00 0.00 O ATOM 748 CB LEU A 47 1.071 2.242 1.149 1.00 0.00 C ATOM 749 CG LEU A 47 -0.425 1.942 1.079 1.00 0.00 C ATOM 750 CD1 LEU A 47 -1.209 3.241 0.929 1.00 0.00 C ATOM 751 CD2 LEU A 47 -0.744 1.001 -0.082 1.00 0.00 C ATOM 0 H LEU A 47 3.410 2.658 1.536 1.00 0.00 H new ATOM 0 HA LEU A 47 1.568 0.928 2.775 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.203 3.174 1.698 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.428 2.416 0.134 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.718 1.448 2.006 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.275 3.019 0.880 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.012 3.886 1.785 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.901 3.748 0.014 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.816 0.805 -0.107 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.437 1.464 -1.020 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.207 0.062 0.052 1.00 0.00 H new ATOM 763 N LYS A 48 2.647 -0.029 -0.177 1.00 0.00 N ATOM 764 CA LYS A 48 2.776 -1.164 -1.072 1.00 0.00 C ATOM 765 C LYS A 48 3.477 -2.333 -0.378 1.00 0.00 C ATOM 766 O LYS A 48 3.013 -3.466 -0.422 1.00 0.00 O ATOM 767 CB LYS A 48 3.546 -0.757 -2.330 1.00 0.00 C ATOM 768 CG LYS A 48 2.967 0.460 -3.041 1.00 0.00 C ATOM 769 CD LYS A 48 4.045 1.228 -3.797 1.00 0.00 C ATOM 770 CE LYS A 48 4.568 0.450 -4.977 1.00 0.00 C ATOM 771 NZ LYS A 48 5.816 1.028 -5.516 1.00 0.00 N ATOM 0 H LYS A 48 3.101 0.819 -0.515 1.00 0.00 H new ATOM 0 HA LYS A 48 1.775 -1.489 -1.357 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.581 -0.549 -2.059 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.561 -1.598 -3.023 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.190 0.142 -3.736 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.493 1.118 -2.312 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.639 2.179 -4.141 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.868 1.458 -3.121 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.747 -0.583 -4.679 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.811 0.429 -5.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.382 0.278 -5.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.585 1.754 -6.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.361 1.460 -4.743 1.00 0.00 H new ATOM 785 N GLU A 49 4.573 -2.046 0.303 1.00 0.00 N ATOM 786 CA GLU A 49 5.341 -3.089 0.974 1.00 0.00 C ATOM 787 C GLU A 49 4.587 -3.600 2.201 1.00 0.00 C ATOM 788 O GLU A 49 4.684 -4.776 2.572 1.00 0.00 O ATOM 789 CB GLU A 49 6.751 -2.577 1.349 1.00 0.00 C ATOM 790 CG GLU A 49 6.788 -1.526 2.456 1.00 0.00 C ATOM 791 CD GLU A 49 6.918 -2.136 3.840 1.00 0.00 C ATOM 792 OE1 GLU A 49 7.830 -2.968 4.040 1.00 0.00 O ATOM 793 OE2 GLU A 49 6.117 -1.788 4.731 1.00 0.00 O ATOM 0 H GLU A 49 4.952 -1.105 0.408 1.00 0.00 H new ATOM 0 HA GLU A 49 5.468 -3.925 0.286 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.359 -3.428 1.657 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.217 -2.159 0.457 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.625 -0.850 2.281 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.879 -0.926 2.412 1.00 0.00 H new ATOM 800 N SER A 50 3.811 -2.718 2.811 1.00 0.00 N ATOM 801 CA SER A 50 3.047 -3.041 3.988 1.00 0.00 C ATOM 802 C SER A 50 1.885 -3.986 3.674 1.00 0.00 C ATOM 803 O SER A 50 1.635 -4.947 4.407 1.00 0.00 O ATOM 804 CB SER A 50 2.558 -1.757 4.664 1.00 0.00 C ATOM 805 OG SER A 50 3.615 -1.122 5.372 1.00 0.00 O ATOM 0 H SER A 50 3.698 -1.755 2.495 1.00 0.00 H new ATOM 0 HA SER A 50 3.700 -3.572 4.681 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.157 -1.076 3.913 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.744 -1.990 5.350 1.00 0.00 H new ATOM 0 HG SER A 50 4.463 -1.565 5.160 1.00 0.00 H new ATOM 811 N TYR A 51 1.175 -3.751 2.585 1.00 0.00 N ATOM 812 CA TYR A 51 0.081 -4.635 2.249 1.00 0.00 C ATOM 813 C TYR A 51 0.620 -5.938 1.664 1.00 0.00 C ATOM 814 O TYR A 51 0.048 -7.009 1.873 1.00 0.00 O ATOM 815 CB TYR A 51 -0.953 -3.963 1.319 1.00 0.00 C ATOM 816 CG TYR A 51 -0.659 -4.042 -0.163 1.00 0.00 C ATOM 817 CD1 TYR A 51 -1.008 -5.166 -0.890 1.00 0.00 C ATOM 818 CD2 TYR A 51 -0.058 -2.993 -0.832 1.00 0.00 C ATOM 819 CE1 TYR A 51 -0.766 -5.247 -2.237 1.00 0.00 C ATOM 820 CE2 TYR A 51 0.191 -3.067 -2.191 1.00 0.00 C ATOM 821 CZ TYR A 51 -0.166 -4.196 -2.884 1.00 0.00 C ATOM 822 OH TYR A 51 0.076 -4.274 -4.229 1.00 0.00 O ATOM 0 H TYR A 51 1.331 -2.979 1.937 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.456 -4.870 3.168 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.927 -4.418 1.501 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.035 -2.912 1.598 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.481 -5.996 -0.386 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.221 -2.103 -0.287 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -1.046 -6.134 -2.786 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.663 -2.242 -2.703 1.00 0.00 H new ATOM 0 HH TYR A 51 -0.593 -4.854 -4.649 1.00 0.00 H new ATOM 832 N CYS A 52 1.744 -5.851 0.948 1.00 0.00 N ATOM 833 CA CYS A 52 2.380 -7.029 0.381 1.00 0.00 C ATOM 834 C CYS A 52 2.785 -7.995 1.472 1.00 0.00 C ATOM 835 O CYS A 52 2.551 -9.204 1.370 1.00 0.00 O ATOM 836 CB CYS A 52 3.591 -6.651 -0.471 1.00 0.00 C ATOM 837 SG CYS A 52 3.173 -5.991 -2.096 1.00 0.00 S ATOM 0 H CYS A 52 2.227 -4.975 0.751 1.00 0.00 H new ATOM 0 HA CYS A 52 1.652 -7.519 -0.266 1.00 0.00 H new ATOM 0 HB2 CYS A 52 4.184 -5.912 0.068 1.00 0.00 H new ATOM 0 HB3 CYS A 52 4.220 -7.532 -0.600 1.00 0.00 H new ATOM 0 HG CYS A 52 2.994 -4.706 -2.010 1.00 0.00 H new ATOM 843 N GLN A 53 3.367 -7.468 2.542 1.00 0.00 N ATOM 844 CA GLN A 53 3.783 -8.304 3.649 1.00 0.00 C ATOM 845 C GLN A 53 2.571 -8.910 4.348 1.00 0.00 C ATOM 846 O GLN A 53 2.625 -10.038 4.825 1.00 0.00 O ATOM 847 CB GLN A 53 4.666 -7.540 4.651 1.00 0.00 C ATOM 848 CG GLN A 53 3.965 -6.392 5.348 1.00 0.00 C ATOM 849 CD GLN A 53 4.818 -5.721 6.402 1.00 0.00 C ATOM 850 OE1 GLN A 53 6.038 -5.677 6.294 1.00 0.00 O ATOM 851 NE2 GLN A 53 4.179 -5.192 7.428 1.00 0.00 N ATOM 0 H GLN A 53 3.558 -6.473 2.662 1.00 0.00 H new ATOM 0 HA GLN A 53 4.389 -9.111 3.237 1.00 0.00 H new ATOM 0 HB2 GLN A 53 5.030 -8.239 5.404 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.540 -7.153 4.127 1.00 0.00 H new ATOM 0 HG2 GLN A 53 3.669 -5.652 4.605 1.00 0.00 H new ATOM 0 HG3 GLN A 53 3.051 -6.762 5.812 1.00 0.00 H new ATOM 0 HE21 GLN A 53 3.162 -5.250 7.480 1.00 0.00 H new ATOM 0 HE22 GLN A 53 4.702 -4.725 8.169 1.00 0.00 H new ATOM 860 N ARG A 54 1.458 -8.153 4.420 1.00 0.00 N ATOM 861 CA ARG A 54 0.217 -8.670 5.016 1.00 0.00 C ATOM 862 C ARG A 54 -0.271 -9.918 4.283 1.00 0.00 C ATOM 863 O ARG A 54 -0.902 -10.793 4.873 1.00 0.00 O ATOM 864 CB ARG A 54 -0.878 -7.595 4.991 1.00 0.00 C ATOM 865 CG ARG A 54 -0.592 -6.391 5.875 1.00 0.00 C ATOM 866 CD ARG A 54 -0.941 -6.660 7.327 1.00 0.00 C ATOM 867 NE ARG A 54 -2.204 -6.022 7.719 1.00 0.00 N ATOM 868 CZ ARG A 54 -2.398 -5.392 8.890 1.00 0.00 C ATOM 869 NH1 ARG A 54 -1.436 -5.371 9.806 1.00 0.00 N ATOM 870 NH2 ARG A 54 -3.560 -4.801 9.141 1.00 0.00 N ATOM 0 H ARG A 54 1.396 -7.194 4.077 1.00 0.00 H new ATOM 0 HA ARG A 54 0.434 -8.939 6.050 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -1.013 -7.254 3.965 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.820 -8.045 5.304 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.463 -6.126 5.798 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.163 -5.534 5.517 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.013 -7.736 7.489 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.137 -6.295 7.966 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.983 -6.059 7.061 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.546 -5.834 9.622 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.587 -4.892 10.694 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -4.305 -4.825 8.445 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -3.707 -4.323 10.030 1.00 0.00 H new ATOM 884 N GLN A 55 0.021 -9.999 2.998 1.00 0.00 N ATOM 885 CA GLN A 55 -0.382 -11.143 2.195 1.00 0.00 C ATOM 886 C GLN A 55 0.691 -12.216 2.207 1.00 0.00 C ATOM 887 O GLN A 55 0.419 -13.384 1.944 1.00 0.00 O ATOM 888 CB GLN A 55 -0.646 -10.707 0.766 1.00 0.00 C ATOM 889 CG GLN A 55 -1.869 -9.827 0.608 1.00 0.00 C ATOM 890 CD GLN A 55 -1.724 -8.836 -0.527 1.00 0.00 C ATOM 891 OE1 GLN A 55 -2.691 -8.509 -1.217 1.00 0.00 O ATOM 892 NE2 GLN A 55 -0.522 -8.324 -0.702 1.00 0.00 N ATOM 0 H GLN A 55 0.537 -9.285 2.485 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.294 -11.556 2.625 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.226 -10.170 0.393 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.765 -11.593 0.142 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.743 -10.453 0.431 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.047 -9.287 1.538 1.00 0.00 H new ATOM 0 HE21 GLN A 55 0.251 -8.623 -0.108 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -0.365 -7.629 -1.432 1.00 0.00 H new ATOM 901 N GLY A 56 1.918 -11.828 2.511 1.00 0.00 N ATOM 902 CA GLY A 56 3.000 -12.784 2.552 1.00 0.00 C ATOM 903 C GLY A 56 3.506 -13.122 1.169 1.00 0.00 C ATOM 904 O GLY A 56 3.915 -14.253 0.901 1.00 0.00 O ATOM 0 H GLY A 56 2.183 -10.868 2.730 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.818 -12.381 3.149 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.662 -13.694 3.047 1.00 0.00 H new ATOM 908 N VAL A 57 3.480 -12.142 0.275 1.00 0.00 N ATOM 909 CA VAL A 57 3.924 -12.342 -1.098 1.00 0.00 C ATOM 910 C VAL A 57 4.830 -11.195 -1.537 1.00 0.00 C ATOM 911 O VAL A 57 4.689 -10.066 -1.055 1.00 0.00 O ATOM 912 CB VAL A 57 2.727 -12.456 -2.090 1.00 0.00 C ATOM 913 CG1 VAL A 57 1.830 -13.633 -1.736 1.00 0.00 C ATOM 914 CG2 VAL A 57 1.928 -11.162 -2.132 1.00 0.00 C ATOM 0 H VAL A 57 3.155 -11.197 0.478 1.00 0.00 H new ATOM 0 HA VAL A 57 4.476 -13.282 -1.119 1.00 0.00 H new ATOM 0 HB VAL A 57 3.137 -12.633 -3.084 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.004 -13.687 -2.445 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.407 -14.557 -1.780 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.435 -13.500 -0.729 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.099 -11.269 -2.832 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.538 -10.943 -1.138 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.574 -10.346 -2.456 1.00 0.00 H new ATOM 924 N PRO A 58 5.776 -11.469 -2.446 1.00 0.00 N ATOM 925 CA PRO A 58 6.693 -10.456 -2.959 1.00 0.00 C ATOM 926 C PRO A 58 5.967 -9.359 -3.740 1.00 0.00 C ATOM 927 O PRO A 58 4.924 -9.593 -4.363 1.00 0.00 O ATOM 928 CB PRO A 58 7.628 -11.239 -3.880 1.00 0.00 C ATOM 929 CG PRO A 58 6.888 -12.479 -4.221 1.00 0.00 C ATOM 930 CD PRO A 58 6.030 -12.792 -3.035 1.00 0.00 C ATOM 0 HA PRO A 58 7.213 -9.938 -2.153 1.00 0.00 H new ATOM 0 HB2 PRO A 58 7.870 -10.666 -4.775 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.571 -11.467 -3.383 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.280 -12.336 -5.115 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.576 -13.298 -4.431 1.00 0.00 H new ATOM 0 HD2 PRO A 58 5.104 -13.287 -3.327 1.00 0.00 H new ATOM 0 HD3 PRO A 58 6.538 -13.454 -2.334 1.00 0.00 H new ATOM 938 N MET A 59 6.538 -8.169 -3.723 1.00 0.00 N ATOM 939 CA MET A 59 5.955 -7.001 -4.385 1.00 0.00 C ATOM 940 C MET A 59 6.093 -7.102 -5.897 1.00 0.00 C ATOM 941 O MET A 59 5.521 -6.316 -6.641 1.00 0.00 O ATOM 942 CB MET A 59 6.648 -5.730 -3.898 1.00 0.00 C ATOM 943 CG MET A 59 6.682 -5.589 -2.389 1.00 0.00 C ATOM 944 SD MET A 59 7.568 -4.119 -1.849 1.00 0.00 S ATOM 945 CE MET A 59 6.503 -2.838 -2.493 1.00 0.00 C ATOM 0 H MET A 59 7.421 -7.977 -3.250 1.00 0.00 H new ATOM 0 HA MET A 59 4.895 -6.965 -4.135 1.00 0.00 H new ATOM 0 HB2 MET A 59 7.670 -5.717 -4.278 1.00 0.00 H new ATOM 0 HB3 MET A 59 6.139 -4.865 -4.323 1.00 0.00 H new ATOM 0 HG2 MET A 59 5.661 -5.553 -2.008 1.00 0.00 H new ATOM 0 HG3 MET A 59 7.153 -6.472 -1.956 1.00 0.00 H new ATOM 0 HE1 MET A 59 6.720 -1.897 -1.988 1.00 0.00 H new ATOM 0 HE2 MET A 59 6.676 -2.725 -3.563 1.00 0.00 H new ATOM 0 HE3 MET A 59 5.462 -3.110 -2.321 1.00 0.00 H new ATOM 955 N ASN A 60 6.869 -8.065 -6.344 1.00 0.00 N ATOM 956 CA ASN A 60 7.105 -8.276 -7.765 1.00 0.00 C ATOM 957 C ASN A 60 6.104 -9.267 -8.350 1.00 0.00 C ATOM 958 O ASN A 60 6.049 -9.469 -9.553 1.00 0.00 O ATOM 959 CB ASN A 60 8.534 -8.782 -7.989 1.00 0.00 C ATOM 960 CG ASN A 60 8.880 -9.958 -7.089 1.00 0.00 C ATOM 961 OD1 ASN A 60 9.396 -9.780 -5.987 1.00 0.00 O ATOM 962 ND2 ASN A 60 8.595 -11.162 -7.538 1.00 0.00 N ATOM 0 H ASN A 60 7.356 -8.726 -5.738 1.00 0.00 H new ATOM 0 HA ASN A 60 6.975 -7.322 -8.275 1.00 0.00 H new ATOM 0 HB2 ASN A 60 8.652 -9.078 -9.031 1.00 0.00 H new ATOM 0 HB3 ASN A 60 9.237 -7.969 -7.807 1.00 0.00 H new ATOM 0 HD21 ASN A 60 8.802 -11.981 -6.967 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.167 -11.276 -8.457 1.00 0.00 H new ATOM 969 N SER A 61 5.341 -9.913 -7.492 1.00 0.00 N ATOM 970 CA SER A 61 4.363 -10.888 -7.934 1.00 0.00 C ATOM 971 C SER A 61 2.970 -10.296 -8.123 1.00 0.00 C ATOM 972 O SER A 61 2.091 -10.927 -8.717 1.00 0.00 O ATOM 973 CB SER A 61 4.321 -12.042 -6.951 1.00 0.00 C ATOM 974 OG SER A 61 5.534 -12.768 -6.982 1.00 0.00 O ATOM 0 H SER A 61 5.379 -9.780 -6.481 1.00 0.00 H new ATOM 0 HA SER A 61 4.678 -11.243 -8.915 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.144 -11.663 -5.945 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.489 -12.703 -7.194 1.00 0.00 H new ATOM 0 HG SER A 61 5.391 -13.661 -6.604 1.00 0.00 H new ATOM 980 N LEU A 62 2.748 -9.102 -7.637 1.00 0.00 N ATOM 981 CA LEU A 62 1.444 -8.487 -7.769 1.00 0.00 C ATOM 982 C LEU A 62 1.512 -7.080 -8.363 1.00 0.00 C ATOM 983 O LEU A 62 2.568 -6.464 -8.427 1.00 0.00 O ATOM 984 CB LEU A 62 0.700 -8.514 -6.431 1.00 0.00 C ATOM 985 CG LEU A 62 1.517 -8.145 -5.200 1.00 0.00 C ATOM 986 CD1 LEU A 62 1.915 -6.679 -5.229 1.00 0.00 C ATOM 987 CD2 LEU A 62 0.739 -8.473 -3.942 1.00 0.00 C ATOM 0 H LEU A 62 3.443 -8.537 -7.150 1.00 0.00 H new ATOM 0 HA LEU A 62 0.874 -9.080 -8.484 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.148 -7.832 -6.497 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.294 -9.515 -6.285 1.00 0.00 H new ATOM 0 HG LEU A 62 2.434 -8.734 -5.203 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.497 -6.442 -4.339 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.515 -6.482 -6.118 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.019 -6.059 -5.252 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.332 -8.205 -3.067 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.194 -7.910 -3.934 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.519 -9.540 -3.918 1.00 0.00 H new ATOM 999 N ARG A 63 0.368 -6.583 -8.783 1.00 0.00 N ATOM 1000 CA ARG A 63 0.267 -5.284 -9.423 1.00 0.00 C ATOM 1001 C ARG A 63 -0.476 -4.309 -8.543 1.00 0.00 C ATOM 1002 O ARG A 63 -1.639 -4.518 -8.226 1.00 0.00 O ATOM 1003 CB ARG A 63 -0.505 -5.403 -10.731 1.00 0.00 C ATOM 1004 CG ARG A 63 0.081 -6.359 -11.749 1.00 0.00 C ATOM 1005 CD ARG A 63 1.062 -5.659 -12.663 1.00 0.00 C ATOM 1006 NE ARG A 63 2.294 -5.270 -11.971 1.00 0.00 N ATOM 1007 CZ ARG A 63 2.864 -4.067 -12.030 1.00 0.00 C ATOM 1008 NH1 ARG A 63 2.280 -3.073 -12.683 1.00 0.00 N ATOM 1009 NH2 ARG A 63 4.019 -3.859 -11.416 1.00 0.00 N ATOM 0 H ARG A 63 -0.524 -7.069 -8.691 1.00 0.00 H new ATOM 0 HA ARG A 63 1.281 -4.927 -9.604 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -1.523 -5.720 -10.504 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.573 -4.414 -11.184 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.582 -7.179 -11.234 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.721 -6.798 -12.342 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.309 -6.316 -13.497 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.591 -4.772 -13.085 1.00 0.00 H new ATOM 0 HE ARG A 63 2.753 -5.978 -11.397 1.00 0.00 H new ATOM 0 HH11 ARG A 63 1.385 -3.224 -13.147 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.726 -2.156 -12.721 1.00 0.00 H new ATOM 0 HH21 ARG A 63 4.467 -4.617 -10.902 1.00 0.00 H new ATOM 0 HH22 ARG A 63 4.460 -2.940 -11.457 1.00 0.00 H new ATOM 1023 N PHE A 64 0.179 -3.256 -8.145 1.00 0.00 N ATOM 1024 CA PHE A 64 -0.462 -2.212 -7.367 1.00 0.00 C ATOM 1025 C PHE A 64 -0.769 -1.004 -8.243 1.00 0.00 C ATOM 1026 O PHE A 64 0.142 -0.333 -8.743 1.00 0.00 O ATOM 1027 CB PHE A 64 0.414 -1.808 -6.173 1.00 0.00 C ATOM 1028 CG PHE A 64 1.900 -2.055 -6.374 1.00 0.00 C ATOM 1029 CD1 PHE A 64 2.592 -1.448 -7.415 1.00 0.00 C ATOM 1030 CD2 PHE A 64 2.598 -2.900 -5.520 1.00 0.00 C ATOM 1031 CE1 PHE A 64 3.938 -1.681 -7.603 1.00 0.00 C ATOM 1032 CE2 PHE A 64 3.947 -3.135 -5.701 1.00 0.00 C ATOM 1033 CZ PHE A 64 4.618 -2.525 -6.745 1.00 0.00 C ATOM 0 H PHE A 64 1.165 -3.089 -8.344 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.403 -2.603 -6.980 1.00 0.00 H new ATOM 0 HB2 PHE A 64 0.259 -0.749 -5.965 1.00 0.00 H new ATOM 0 HB3 PHE A 64 0.082 -2.358 -5.292 1.00 0.00 H new ATOM 0 HD1 PHE A 64 2.068 -0.784 -8.087 1.00 0.00 H new ATOM 0 HD2 PHE A 64 2.079 -3.380 -4.704 1.00 0.00 H new ATOM 0 HE1 PHE A 64 4.460 -1.205 -8.420 1.00 0.00 H new ATOM 0 HE2 PHE A 64 4.477 -3.794 -5.029 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.672 -2.708 -6.890 1.00 0.00 H new ATOM 1043 N LEU A 65 -2.044 -0.725 -8.448 1.00 0.00 N ATOM 1044 CA LEU A 65 -2.432 0.395 -9.275 1.00 0.00 C ATOM 1045 C LEU A 65 -3.665 1.103 -8.714 1.00 0.00 C ATOM 1046 O LEU A 65 -4.417 0.550 -7.908 1.00 0.00 O ATOM 1047 CB LEU A 65 -2.642 -0.047 -10.766 1.00 0.00 C ATOM 1048 CG LEU A 65 -3.965 -0.753 -11.149 1.00 0.00 C ATOM 1049 CD1 LEU A 65 -4.316 -1.845 -10.169 1.00 0.00 C ATOM 1050 CD2 LEU A 65 -5.106 0.253 -11.302 1.00 0.00 C ATOM 0 H LEU A 65 -2.821 -1.256 -8.055 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.615 1.116 -9.262 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.547 0.841 -11.391 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.822 -0.713 -11.033 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.814 -1.228 -12.118 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.251 -2.318 -10.471 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.521 -2.590 -10.154 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.431 -1.417 -9.173 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.022 -0.274 -11.571 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.255 0.781 -10.360 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.856 0.970 -12.084 1.00 0.00 H new ATOM 1062 N PHE A 66 -3.869 2.323 -9.148 1.00 0.00 N ATOM 1063 CA PHE A 66 -4.997 3.119 -8.732 1.00 0.00 C ATOM 1064 C PHE A 66 -5.460 3.970 -9.892 1.00 0.00 C ATOM 1065 O PHE A 66 -4.639 4.518 -10.607 1.00 0.00 O ATOM 1066 CB PHE A 66 -4.608 4.001 -7.546 1.00 0.00 C ATOM 1067 CG PHE A 66 -5.696 4.914 -7.080 1.00 0.00 C ATOM 1068 CD1 PHE A 66 -6.739 4.432 -6.322 1.00 0.00 C ATOM 1069 CD2 PHE A 66 -5.665 6.259 -7.395 1.00 0.00 C ATOM 1070 CE1 PHE A 66 -7.737 5.272 -5.884 1.00 0.00 C ATOM 1071 CE2 PHE A 66 -6.660 7.107 -6.963 1.00 0.00 C ATOM 1072 CZ PHE A 66 -7.700 6.613 -6.204 1.00 0.00 C ATOM 0 H PHE A 66 -3.250 2.796 -9.807 1.00 0.00 H new ATOM 0 HA PHE A 66 -5.811 2.464 -8.420 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.305 3.362 -6.716 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.740 4.599 -7.822 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -6.774 3.383 -6.068 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.851 6.650 -7.987 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -8.549 4.881 -5.289 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.626 8.156 -7.218 1.00 0.00 H new ATOM 0 HZ PHE A 66 -8.483 7.274 -5.861 1.00 0.00 H new ATOM 1082 N GLU A 67 -6.783 4.048 -10.089 1.00 0.00 N ATOM 1083 CA GLU A 67 -7.423 4.822 -11.182 1.00 0.00 C ATOM 1084 C GLU A 67 -6.791 4.537 -12.560 1.00 0.00 C ATOM 1085 O GLU A 67 -6.850 5.364 -13.473 1.00 0.00 O ATOM 1086 CB GLU A 67 -7.429 6.341 -10.892 1.00 0.00 C ATOM 1087 CG GLU A 67 -6.065 6.990 -10.921 1.00 0.00 C ATOM 1088 CD GLU A 67 -6.130 8.497 -10.982 1.00 0.00 C ATOM 1089 OE1 GLU A 67 -6.163 9.048 -12.102 1.00 0.00 O ATOM 1090 OE2 GLU A 67 -6.134 9.137 -9.921 1.00 0.00 O ATOM 0 H GLU A 67 -7.456 3.571 -9.489 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.458 4.481 -11.220 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.068 6.835 -11.624 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.877 6.509 -9.913 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.508 6.692 -10.033 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.511 6.620 -11.784 1.00 0.00 H new ATOM 1097 N GLY A 68 -6.227 3.353 -12.722 1.00 0.00 N ATOM 1098 CA GLY A 68 -5.591 3.000 -13.973 1.00 0.00 C ATOM 1099 C GLY A 68 -4.155 3.483 -14.066 1.00 0.00 C ATOM 1100 O GLY A 68 -3.631 3.696 -15.159 1.00 0.00 O ATOM 0 H GLY A 68 -6.198 2.626 -12.007 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -5.612 1.917 -14.092 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -6.165 3.423 -14.798 1.00 0.00 H new ATOM 1104 N GLN A 69 -3.511 3.664 -12.926 1.00 0.00 N ATOM 1105 CA GLN A 69 -2.123 4.102 -12.894 1.00 0.00 C ATOM 1106 C GLN A 69 -1.343 3.210 -11.944 1.00 0.00 C ATOM 1107 O GLN A 69 -1.835 2.861 -10.876 1.00 0.00 O ATOM 1108 CB GLN A 69 -2.020 5.575 -12.432 1.00 0.00 C ATOM 1109 CG GLN A 69 -1.789 5.738 -10.929 1.00 0.00 C ATOM 1110 CD GLN A 69 -1.884 7.168 -10.459 1.00 0.00 C ATOM 1111 OE1 GLN A 69 -0.905 7.916 -10.505 1.00 0.00 O ATOM 1112 NE2 GLN A 69 -3.038 7.537 -9.952 1.00 0.00 N ATOM 0 H GLN A 69 -3.927 3.514 -12.007 1.00 0.00 H new ATOM 0 HA GLN A 69 -1.707 4.031 -13.899 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -1.204 6.058 -12.970 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -2.936 6.097 -12.708 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.521 5.137 -10.389 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.804 5.345 -10.676 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -3.820 6.883 -9.936 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -3.152 8.478 -9.575 1.00 0.00 H new ATOM 1121 N ARG A 70 -0.147 2.814 -12.320 1.00 0.00 N ATOM 1122 CA ARG A 70 0.659 1.988 -11.442 1.00 0.00 C ATOM 1123 C ARG A 70 1.212 2.832 -10.309 1.00 0.00 C ATOM 1124 O ARG A 70 1.514 4.023 -10.480 1.00 0.00 O ATOM 1125 CB ARG A 70 1.798 1.264 -12.202 1.00 0.00 C ATOM 1126 CG ARG A 70 3.063 2.089 -12.435 1.00 0.00 C ATOM 1127 CD ARG A 70 2.824 3.260 -13.368 1.00 0.00 C ATOM 1128 NE ARG A 70 4.044 4.026 -13.591 1.00 0.00 N ATOM 1129 CZ ARG A 70 4.092 5.205 -14.205 1.00 0.00 C ATOM 1130 NH1 ARG A 70 2.983 5.762 -14.678 1.00 0.00 N ATOM 1131 NH2 ARG A 70 5.252 5.821 -14.355 1.00 0.00 N ATOM 0 H ARG A 70 0.286 3.045 -13.214 1.00 0.00 H new ATOM 0 HA ARG A 70 0.016 1.210 -11.029 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.068 0.366 -11.646 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.415 0.937 -13.169 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.434 2.459 -11.479 1.00 0.00 H new ATOM 0 HG3 ARG A 70 3.840 1.448 -12.852 1.00 0.00 H new ATOM 0 HD2 ARG A 70 2.444 2.894 -14.322 1.00 0.00 H new ATOM 0 HD3 ARG A 70 2.057 3.910 -12.947 1.00 0.00 H new ATOM 0 HE ARG A 70 4.921 3.631 -13.253 1.00 0.00 H new ATOM 0 HH11 ARG A 70 2.087 5.285 -14.571 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.027 6.666 -15.148 1.00 0.00 H new ATOM 0 HH21 ARG A 70 6.107 5.392 -14.000 1.00 0.00 H new ATOM 0 HH22 ARG A 70 5.292 6.725 -14.825 1.00 0.00 H new ATOM 1145 N ILE A 71 1.329 2.251 -9.153 1.00 0.00 N ATOM 1146 CA ILE A 71 1.812 2.975 -8.013 1.00 0.00 C ATOM 1147 C ILE A 71 3.326 2.860 -7.907 1.00 0.00 C ATOM 1148 O ILE A 71 3.873 1.767 -7.772 1.00 0.00 O ATOM 1149 CB ILE A 71 1.169 2.474 -6.709 1.00 0.00 C ATOM 1150 CG1 ILE A 71 -0.359 2.346 -6.861 1.00 0.00 C ATOM 1151 CG2 ILE A 71 1.509 3.413 -5.577 1.00 0.00 C ATOM 1152 CD1 ILE A 71 -1.052 3.616 -7.322 1.00 0.00 C ATOM 0 H ILE A 71 1.096 1.274 -8.973 1.00 0.00 H new ATOM 0 HA ILE A 71 1.535 4.020 -8.155 1.00 0.00 H new ATOM 0 HB ILE A 71 1.567 1.485 -6.484 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.576 1.549 -7.573 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.783 2.042 -5.904 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.051 3.053 -4.656 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.591 3.455 -5.452 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.131 4.410 -5.805 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.124 3.437 -7.402 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.870 4.412 -6.600 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.660 3.912 -8.295 1.00 0.00 H new ATOM 1164 N ALA A 72 4.007 3.989 -7.958 1.00 0.00 N ATOM 1165 CA ALA A 72 5.441 4.014 -7.861 1.00 0.00 C ATOM 1166 C ALA A 72 5.833 4.162 -6.407 1.00 0.00 C ATOM 1167 O ALA A 72 5.008 4.531 -5.572 1.00 0.00 O ATOM 1168 CB ALA A 72 5.994 5.162 -8.685 1.00 0.00 C ATOM 0 H ALA A 72 3.577 4.908 -8.068 1.00 0.00 H new ATOM 0 HA ALA A 72 5.856 3.084 -8.250 1.00 0.00 H new ATOM 0 HB1 ALA A 72 7.081 5.175 -8.607 1.00 0.00 H new ATOM 0 HB2 ALA A 72 5.707 5.032 -9.728 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.592 6.104 -8.312 1.00 0.00 H new ATOM 1174 N ASP A 73 7.073 3.873 -6.087 1.00 0.00 N ATOM 1175 CA ASP A 73 7.547 3.980 -4.712 1.00 0.00 C ATOM 1176 C ASP A 73 7.657 5.435 -4.304 1.00 0.00 C ATOM 1177 O ASP A 73 7.616 5.779 -3.123 1.00 0.00 O ATOM 1178 CB ASP A 73 8.887 3.261 -4.547 1.00 0.00 C ATOM 1179 CG ASP A 73 8.759 1.774 -4.789 1.00 0.00 C ATOM 1180 OD1 ASP A 73 7.980 1.112 -4.071 1.00 0.00 O ATOM 1181 OD2 ASP A 73 9.391 1.264 -5.724 1.00 0.00 O ATOM 0 H ASP A 73 7.778 3.561 -6.755 1.00 0.00 H new ATOM 0 HA ASP A 73 6.824 3.496 -4.056 1.00 0.00 H new ATOM 0 HB2 ASP A 73 9.613 3.681 -5.243 1.00 0.00 H new ATOM 0 HB3 ASP A 73 9.271 3.434 -3.542 1.00 0.00 H new ATOM 1186 N ASN A 74 7.754 6.301 -5.293 1.00 0.00 N ATOM 1187 CA ASN A 74 7.856 7.730 -5.055 1.00 0.00 C ATOM 1188 C ASN A 74 6.493 8.365 -5.205 1.00 0.00 C ATOM 1189 O ASN A 74 6.350 9.587 -5.166 1.00 0.00 O ATOM 1190 CB ASN A 74 8.835 8.376 -6.037 1.00 0.00 C ATOM 1191 CG ASN A 74 10.128 7.613 -6.143 1.00 0.00 C ATOM 1192 OD1 ASN A 74 11.088 7.874 -5.414 1.00 0.00 O ATOM 1193 ND2 ASN A 74 10.165 6.664 -7.059 1.00 0.00 N ATOM 0 H ASN A 74 7.764 6.038 -6.278 1.00 0.00 H new ATOM 0 HA ASN A 74 8.228 7.888 -4.043 1.00 0.00 H new ATOM 0 HB2 ASN A 74 8.371 8.437 -7.021 1.00 0.00 H new ATOM 0 HB3 ASN A 74 9.044 9.397 -5.719 1.00 0.00 H new ATOM 0 HD21 ASN A 74 11.013 6.111 -7.187 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.346 6.483 -7.640 1.00 0.00 H new ATOM 1200 N HIS A 75 5.469 7.535 -5.373 1.00 0.00 N ATOM 1201 CA HIS A 75 4.113 8.049 -5.502 1.00 0.00 C ATOM 1202 C HIS A 75 3.541 8.312 -4.132 1.00 0.00 C ATOM 1203 O HIS A 75 3.792 7.564 -3.200 1.00 0.00 O ATOM 1204 CB HIS A 75 3.207 7.082 -6.275 1.00 0.00 C ATOM 1205 CG HIS A 75 3.096 7.391 -7.740 1.00 0.00 C ATOM 1206 ND1 HIS A 75 2.388 6.605 -8.635 1.00 0.00 N ATOM 1207 CD2 HIS A 75 3.604 8.408 -8.468 1.00 0.00 C ATOM 1208 CE1 HIS A 75 2.478 7.131 -9.842 1.00 0.00 C ATOM 1209 NE2 HIS A 75 3.207 8.221 -9.766 1.00 0.00 N ATOM 0 H HIS A 75 5.550 6.519 -5.422 1.00 0.00 H new ATOM 0 HA HIS A 75 4.157 8.979 -6.069 1.00 0.00 H new ATOM 0 HB2 HIS A 75 3.589 6.068 -6.156 1.00 0.00 H new ATOM 0 HB3 HIS A 75 2.211 7.101 -5.833 1.00 0.00 H new ATOM 0 HD2 HIS A 75 4.212 9.220 -8.096 1.00 0.00 H new ATOM 0 HE1 HIS A 75 2.029 6.733 -10.740 1.00 0.00 H new ATOM 0 HE2 HIS A 75 3.441 8.831 -10.549 1.00 0.00 H new ATOM 1218 N THR A 76 2.808 9.388 -3.992 1.00 0.00 N ATOM 1219 CA THR A 76 2.202 9.729 -2.713 1.00 0.00 C ATOM 1220 C THR A 76 0.687 9.738 -2.822 1.00 0.00 C ATOM 1221 O THR A 76 0.138 9.941 -3.912 1.00 0.00 O ATOM 1222 CB THR A 76 2.676 11.114 -2.219 1.00 0.00 C ATOM 1223 OG1 THR A 76 2.254 12.118 -3.130 1.00 0.00 O ATOM 1224 CG2 THR A 76 4.180 11.155 -2.105 1.00 0.00 C ATOM 0 H THR A 76 2.612 10.049 -4.744 1.00 0.00 H new ATOM 0 HA THR A 76 2.514 8.969 -1.996 1.00 0.00 H new ATOM 0 HB THR A 76 2.240 11.294 -1.236 1.00 0.00 H new ATOM 0 HG1 THR A 76 2.555 12.995 -2.813 1.00 0.00 H new ATOM 0 HG21 THR A 76 4.492 12.139 -1.756 1.00 0.00 H new ATOM 0 HG22 THR A 76 4.512 10.396 -1.396 1.00 0.00 H new ATOM 0 HG23 THR A 76 4.624 10.959 -3.081 1.00 0.00 H new ATOM 1232 N PRO A 77 -0.016 9.517 -1.698 1.00 0.00 N ATOM 1233 CA PRO A 77 -1.474 9.520 -1.674 1.00 0.00 C ATOM 1234 C PRO A 77 -2.035 10.860 -2.129 1.00 0.00 C ATOM 1235 O PRO A 77 -3.006 10.924 -2.868 1.00 0.00 O ATOM 1236 CB PRO A 77 -1.818 9.280 -0.197 1.00 0.00 C ATOM 1237 CG PRO A 77 -0.602 8.665 0.393 1.00 0.00 C ATOM 1238 CD PRO A 77 0.557 9.234 -0.366 1.00 0.00 C ATOM 0 HA PRO A 77 -1.896 8.771 -2.344 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -2.070 10.214 0.305 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.681 8.621 -0.096 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -0.524 8.896 1.455 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.631 7.579 0.304 1.00 0.00 H new ATOM 0 HD2 PRO A 77 0.943 10.137 0.106 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.385 8.527 -0.426 1.00 0.00 H new ATOM 1246 N LYS A 78 -1.390 11.936 -1.709 1.00 0.00 N ATOM 1247 CA LYS A 78 -1.849 13.276 -2.038 1.00 0.00 C ATOM 1248 C LYS A 78 -1.699 13.561 -3.532 1.00 0.00 C ATOM 1249 O LYS A 78 -2.565 14.174 -4.150 1.00 0.00 O ATOM 1250 CB LYS A 78 -1.083 14.320 -1.230 1.00 0.00 C ATOM 1251 CG LYS A 78 0.408 14.276 -1.460 1.00 0.00 C ATOM 1252 CD LYS A 78 1.058 15.602 -1.162 1.00 0.00 C ATOM 1253 CE LYS A 78 2.415 15.672 -1.816 1.00 0.00 C ATOM 1254 NZ LYS A 78 2.993 17.032 -1.756 1.00 0.00 N ATOM 0 H LYS A 78 -0.545 11.908 -1.138 1.00 0.00 H new ATOM 0 HA LYS A 78 -2.907 13.335 -1.782 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.454 15.312 -1.487 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.285 14.169 -0.170 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.851 13.504 -0.830 1.00 0.00 H new ATOM 0 HG3 LYS A 78 0.608 13.997 -2.494 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.428 16.414 -1.525 1.00 0.00 H new ATOM 0 HD3 LYS A 78 1.158 15.733 -0.085 1.00 0.00 H new ATOM 0 HE2 LYS A 78 3.090 14.970 -1.326 1.00 0.00 H new ATOM 0 HE3 LYS A 78 2.332 15.360 -2.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 3.925 17.034 -2.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 2.363 17.699 -2.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 3.098 17.321 -0.763 1.00 0.00 H new ATOM 1268 N GLU A 79 -0.610 13.093 -4.121 1.00 0.00 N ATOM 1269 CA GLU A 79 -0.342 13.333 -5.527 1.00 0.00 C ATOM 1270 C GLU A 79 -1.250 12.495 -6.402 1.00 0.00 C ATOM 1271 O GLU A 79 -1.691 12.937 -7.461 1.00 0.00 O ATOM 1272 CB GLU A 79 1.110 13.035 -5.856 1.00 0.00 C ATOM 1273 CG GLU A 79 2.089 14.097 -5.375 1.00 0.00 C ATOM 1274 CD GLU A 79 2.105 15.338 -6.236 1.00 0.00 C ATOM 1275 OE1 GLU A 79 1.288 16.248 -5.999 1.00 0.00 O ATOM 1276 OE2 GLU A 79 2.958 15.418 -7.141 1.00 0.00 O ATOM 0 H GLU A 79 0.104 12.543 -3.644 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.540 14.386 -5.727 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.383 12.078 -5.412 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.211 12.926 -6.936 1.00 0.00 H new ATOM 0 HG2 GLU A 79 1.835 14.377 -4.353 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.092 13.670 -5.349 1.00 0.00 H new ATOM 1283 N LEU A 80 -1.543 11.275 -5.965 1.00 0.00 N ATOM 1284 CA LEU A 80 -2.404 10.393 -6.742 1.00 0.00 C ATOM 1285 C LEU A 80 -3.878 10.710 -6.495 1.00 0.00 C ATOM 1286 O LEU A 80 -4.771 10.041 -7.017 1.00 0.00 O ATOM 1287 CB LEU A 80 -2.117 8.914 -6.440 1.00 0.00 C ATOM 1288 CG LEU A 80 -0.651 8.456 -6.560 1.00 0.00 C ATOM 1289 CD1 LEU A 80 -0.570 6.967 -6.827 1.00 0.00 C ATOM 1290 CD2 LEU A 80 0.089 9.227 -7.633 1.00 0.00 C ATOM 0 H LEU A 80 -1.202 10.879 -5.089 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.183 10.570 -7.795 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.458 8.701 -5.427 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.720 8.306 -7.114 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.167 8.665 -5.606 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.475 6.668 -6.908 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.040 6.424 -6.007 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.086 6.736 -7.759 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.119 8.876 -7.688 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.399 9.071 -8.595 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.080 10.289 -7.389 1.00 0.00 H new ATOM 1302 N GLY A 81 -4.134 11.733 -5.691 1.00 0.00 N ATOM 1303 CA GLY A 81 -5.500 12.152 -5.426 1.00 0.00 C ATOM 1304 C GLY A 81 -6.241 11.186 -4.529 1.00 0.00 C ATOM 1305 O GLY A 81 -7.425 10.912 -4.736 1.00 0.00 O ATOM 0 H GLY A 81 -3.419 12.283 -5.215 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.490 13.138 -4.962 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -6.036 12.249 -6.370 1.00 0.00 H new ATOM 1309 N MET A 82 -5.557 10.669 -3.536 1.00 0.00 N ATOM 1310 CA MET A 82 -6.143 9.738 -2.593 1.00 0.00 C ATOM 1311 C MET A 82 -6.547 10.476 -1.335 1.00 0.00 C ATOM 1312 O MET A 82 -6.089 11.595 -1.082 1.00 0.00 O ATOM 1313 CB MET A 82 -5.144 8.641 -2.241 1.00 0.00 C ATOM 1314 CG MET A 82 -4.740 7.768 -3.409 1.00 0.00 C ATOM 1315 SD MET A 82 -3.417 6.621 -2.983 1.00 0.00 S ATOM 1316 CE MET A 82 -3.130 5.849 -4.565 1.00 0.00 C ATOM 0 H MET A 82 -4.576 10.881 -3.356 1.00 0.00 H new ATOM 0 HA MET A 82 -7.022 9.282 -3.049 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.250 9.101 -1.820 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.574 8.010 -1.463 1.00 0.00 H new ATOM 0 HG2 MET A 82 -5.607 7.206 -3.756 1.00 0.00 H new ATOM 0 HG3 MET A 82 -4.417 8.400 -4.237 1.00 0.00 H new ATOM 0 HE1 MET A 82 -2.109 5.468 -4.604 1.00 0.00 H new ATOM 0 HE2 MET A 82 -3.830 5.025 -4.700 1.00 0.00 H new ATOM 0 HE3 MET A 82 -3.275 6.582 -5.359 1.00 0.00 H new ATOM 1326 N GLU A 83 -7.393 9.868 -0.547 1.00 0.00 N ATOM 1327 CA GLU A 83 -7.866 10.471 0.683 1.00 0.00 C ATOM 1328 C GLU A 83 -8.035 9.409 1.757 1.00 0.00 C ATOM 1329 O GLU A 83 -7.624 8.263 1.580 1.00 0.00 O ATOM 1330 CB GLU A 83 -9.188 11.183 0.420 1.00 0.00 C ATOM 1331 CG GLU A 83 -10.207 10.307 -0.285 1.00 0.00 C ATOM 1332 CD GLU A 83 -11.444 11.061 -0.681 1.00 0.00 C ATOM 1333 OE1 GLU A 83 -11.361 11.915 -1.588 1.00 0.00 O ATOM 1334 OE2 GLU A 83 -12.511 10.799 -0.097 1.00 0.00 O ATOM 0 H GLU A 83 -7.777 8.942 -0.734 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.134 11.198 1.036 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -9.605 11.524 1.368 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -9.002 12.071 -0.184 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -9.752 9.871 -1.174 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.484 9.480 0.369 1.00 0.00 H new ATOM 1341 N GLU A 84 -8.638 9.776 2.876 1.00 0.00 N ATOM 1342 CA GLU A 84 -8.845 8.830 3.953 1.00 0.00 C ATOM 1343 C GLU A 84 -9.896 7.808 3.577 1.00 0.00 C ATOM 1344 O GLU A 84 -10.924 8.143 2.981 1.00 0.00 O ATOM 1345 CB GLU A 84 -9.235 9.533 5.253 1.00 0.00 C ATOM 1346 CG GLU A 84 -10.455 10.422 5.134 1.00 0.00 C ATOM 1347 CD GLU A 84 -11.087 10.710 6.471 1.00 0.00 C ATOM 1348 OE1 GLU A 84 -10.415 11.293 7.339 1.00 0.00 O ATOM 1349 OE2 GLU A 84 -12.260 10.338 6.665 1.00 0.00 O ATOM 0 H GLU A 84 -8.989 10.716 3.059 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.898 8.316 4.119 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -9.421 8.780 6.019 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -8.393 10.134 5.595 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -10.172 11.361 4.659 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.188 9.944 4.484 1.00 0.00 H new ATOM 1356 N GLU A 85 -9.606 6.550 3.884 1.00 0.00 N ATOM 1357 CA GLU A 85 -10.497 5.426 3.638 1.00 0.00 C ATOM 1358 C GLU A 85 -10.547 5.054 2.154 1.00 0.00 C ATOM 1359 O GLU A 85 -11.345 4.205 1.735 1.00 0.00 O ATOM 1360 CB GLU A 85 -11.889 5.684 4.212 1.00 0.00 C ATOM 1361 CG GLU A 85 -11.951 5.582 5.730 1.00 0.00 C ATOM 1362 CD GLU A 85 -11.511 4.222 6.244 1.00 0.00 C ATOM 1363 OE1 GLU A 85 -12.365 3.319 6.364 1.00 0.00 O ATOM 1364 OE2 GLU A 85 -10.317 4.051 6.530 1.00 0.00 O ATOM 0 H GLU A 85 -8.725 6.278 4.320 1.00 0.00 H new ATOM 0 HA GLU A 85 -10.087 4.563 4.163 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -12.219 6.678 3.909 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -12.589 4.970 3.779 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -11.318 6.354 6.168 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -12.970 5.779 6.062 1.00 0.00 H new ATOM 1371 N ASP A 86 -9.709 5.711 1.354 1.00 0.00 N ATOM 1372 CA ASP A 86 -9.588 5.401 -0.073 1.00 0.00 C ATOM 1373 C ASP A 86 -9.136 3.955 -0.280 1.00 0.00 C ATOM 1374 O ASP A 86 -8.577 3.321 0.624 1.00 0.00 O ATOM 1375 CB ASP A 86 -8.603 6.350 -0.751 1.00 0.00 C ATOM 1376 CG ASP A 86 -8.979 6.646 -2.186 1.00 0.00 C ATOM 1377 OD1 ASP A 86 -9.645 5.800 -2.819 1.00 0.00 O ATOM 1378 OD2 ASP A 86 -8.635 7.737 -2.677 1.00 0.00 O ATOM 0 H ASP A 86 -9.100 6.466 1.670 1.00 0.00 H new ATOM 0 HA ASP A 86 -10.571 5.530 -0.525 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.558 7.284 -0.190 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.605 5.913 -0.723 1.00 0.00 H new ATOM 1383 N VAL A 87 -9.365 3.429 -1.461 1.00 0.00 N ATOM 1384 CA VAL A 87 -9.036 2.049 -1.759 1.00 0.00 C ATOM 1385 C VAL A 87 -8.160 1.940 -3.010 1.00 0.00 C ATOM 1386 O VAL A 87 -8.320 2.695 -3.970 1.00 0.00 O ATOM 1387 CB VAL A 87 -10.321 1.190 -1.938 1.00 0.00 C ATOM 1388 CG1 VAL A 87 -11.189 1.733 -3.061 1.00 0.00 C ATOM 1389 CG2 VAL A 87 -9.972 -0.269 -2.189 1.00 0.00 C ATOM 0 H VAL A 87 -9.782 3.939 -2.240 1.00 0.00 H new ATOM 0 HA VAL A 87 -8.473 1.664 -0.908 1.00 0.00 H new ATOM 0 HB VAL A 87 -10.890 1.249 -1.010 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -12.080 1.114 -3.164 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -11.483 2.757 -2.831 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -10.627 1.718 -3.995 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -10.888 -0.847 -2.310 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -9.370 -0.349 -3.094 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.407 -0.659 -1.342 1.00 0.00 H new ATOM 1399 N ILE A 88 -7.232 0.999 -2.989 1.00 0.00 N ATOM 1400 CA ILE A 88 -6.338 0.759 -4.106 1.00 0.00 C ATOM 1401 C ILE A 88 -6.597 -0.643 -4.666 1.00 0.00 C ATOM 1402 O ILE A 88 -7.052 -1.536 -3.938 1.00 0.00 O ATOM 1403 CB ILE A 88 -4.846 0.894 -3.673 1.00 0.00 C ATOM 1404 CG1 ILE A 88 -4.630 2.193 -2.893 1.00 0.00 C ATOM 1405 CG2 ILE A 88 -3.914 0.845 -4.875 1.00 0.00 C ATOM 1406 CD1 ILE A 88 -4.679 2.015 -1.391 1.00 0.00 C ATOM 0 H ILE A 88 -7.078 0.379 -2.194 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.531 1.507 -4.875 1.00 0.00 H new ATOM 0 HB ILE A 88 -4.611 0.048 -3.027 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.664 2.616 -3.169 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -5.390 2.915 -3.190 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.882 0.942 -4.539 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -4.039 -0.105 -5.394 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.153 1.663 -5.554 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -4.518 2.977 -0.905 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.654 1.622 -1.103 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -3.901 1.318 -1.082 1.00 0.00 H new ATOM 1418 N GLU A 89 -6.304 -0.849 -5.940 1.00 0.00 N ATOM 1419 CA GLU A 89 -6.577 -2.121 -6.585 1.00 0.00 C ATOM 1420 C GLU A 89 -5.282 -2.895 -6.801 1.00 0.00 C ATOM 1421 O GLU A 89 -4.246 -2.316 -7.146 1.00 0.00 O ATOM 1422 CB GLU A 89 -7.276 -1.888 -7.925 1.00 0.00 C ATOM 1423 CG GLU A 89 -7.760 -3.159 -8.594 1.00 0.00 C ATOM 1424 CD GLU A 89 -8.899 -3.805 -7.843 1.00 0.00 C ATOM 1425 OE1 GLU A 89 -10.062 -3.395 -8.054 1.00 0.00 O ATOM 1426 OE2 GLU A 89 -8.645 -4.725 -7.044 1.00 0.00 O ATOM 0 H GLU A 89 -5.877 -0.150 -6.548 1.00 0.00 H new ATOM 0 HA GLU A 89 -7.231 -2.707 -5.939 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -8.127 -1.224 -7.769 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.589 -1.374 -8.597 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -8.081 -2.932 -9.611 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.932 -3.864 -8.671 1.00 0.00 H new ATOM 1433 N VAL A 90 -5.315 -4.195 -6.563 1.00 0.00 N ATOM 1434 CA VAL A 90 -4.147 -5.028 -6.757 1.00 0.00 C ATOM 1435 C VAL A 90 -4.465 -6.245 -7.632 1.00 0.00 C ATOM 1436 O VAL A 90 -5.473 -6.928 -7.440 1.00 0.00 O ATOM 1437 CB VAL A 90 -3.578 -5.498 -5.402 1.00 0.00 C ATOM 1438 CG1 VAL A 90 -2.378 -6.420 -5.593 1.00 0.00 C ATOM 1439 CG2 VAL A 90 -3.202 -4.297 -4.553 1.00 0.00 C ATOM 0 H VAL A 90 -6.141 -4.695 -6.234 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.399 -4.422 -7.268 1.00 0.00 H new ATOM 0 HB VAL A 90 -4.351 -6.068 -4.886 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -2.001 -6.733 -4.619 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -2.681 -7.298 -6.164 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -1.593 -5.889 -6.132 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.801 -4.637 -3.598 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -2.448 -3.706 -5.073 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -4.086 -3.684 -4.378 1.00 0.00 H new ATOM 1449 N TYR A 91 -3.592 -6.511 -8.589 1.00 0.00 N ATOM 1450 CA TYR A 91 -3.731 -7.650 -9.487 1.00 0.00 C ATOM 1451 C TYR A 91 -2.569 -8.610 -9.281 1.00 0.00 C ATOM 1452 O TYR A 91 -1.666 -8.343 -8.496 1.00 0.00 O ATOM 1453 CB TYR A 91 -3.767 -7.188 -10.956 1.00 0.00 C ATOM 1454 CG TYR A 91 -5.057 -6.529 -11.370 1.00 0.00 C ATOM 1455 CD1 TYR A 91 -5.264 -5.173 -11.163 1.00 0.00 C ATOM 1456 CD2 TYR A 91 -6.065 -7.260 -11.979 1.00 0.00 C ATOM 1457 CE1 TYR A 91 -6.438 -4.564 -11.551 1.00 0.00 C ATOM 1458 CE2 TYR A 91 -7.243 -6.661 -12.368 1.00 0.00 C ATOM 1459 CZ TYR A 91 -7.426 -5.313 -12.152 1.00 0.00 C ATOM 1460 OH TYR A 91 -8.603 -4.712 -12.541 1.00 0.00 O ATOM 0 H TYR A 91 -2.764 -5.943 -8.767 1.00 0.00 H new ATOM 0 HA TYR A 91 -4.669 -8.156 -9.260 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -2.946 -6.491 -11.125 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -3.591 -8.050 -11.600 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -4.492 -4.584 -10.690 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -5.925 -8.317 -12.151 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -6.583 -3.507 -11.385 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -8.019 -7.245 -12.840 1.00 0.00 H new ATOM 0 HH TYR A 91 -9.192 -5.380 -12.949 1.00 0.00 H new ATOM 1470 N GLN A 92 -2.591 -9.727 -9.966 1.00 0.00 N ATOM 1471 CA GLN A 92 -1.522 -10.702 -9.877 1.00 0.00 C ATOM 1472 C GLN A 92 -0.707 -10.701 -11.168 1.00 0.00 C ATOM 1473 O GLN A 92 -1.264 -10.777 -12.259 1.00 0.00 O ATOM 1474 CB GLN A 92 -2.095 -12.101 -9.651 1.00 0.00 C ATOM 1475 CG GLN A 92 -1.068 -13.107 -9.167 1.00 0.00 C ATOM 1476 CD GLN A 92 -0.798 -12.985 -7.683 1.00 0.00 C ATOM 1477 OE1 GLN A 92 -1.426 -13.655 -6.881 1.00 0.00 O ATOM 1478 NE2 GLN A 92 0.130 -12.115 -7.308 1.00 0.00 N ATOM 0 H GLN A 92 -3.346 -9.989 -10.600 1.00 0.00 H new ATOM 0 HA GLN A 92 -0.882 -10.434 -9.037 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -2.903 -12.040 -8.922 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -2.532 -12.460 -10.583 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -1.418 -14.115 -9.388 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -0.137 -12.965 -9.716 1.00 0.00 H new ATOM 0 HE21 GLN A 92 0.634 -11.573 -8.010 1.00 0.00 H new ATOM 0 HE22 GLN A 92 0.340 -11.988 -6.318 1.00 0.00 H new ATOM 1487 N GLU A 93 0.607 -10.604 -11.051 1.00 0.00 N ATOM 1488 CA GLU A 93 1.473 -10.634 -12.222 1.00 0.00 C ATOM 1489 C GLU A 93 2.435 -11.816 -12.149 1.00 0.00 C ATOM 1490 O GLU A 93 3.485 -11.822 -12.793 1.00 0.00 O ATOM 1491 CB GLU A 93 2.257 -9.330 -12.366 1.00 0.00 C ATOM 1492 CG GLU A 93 3.184 -9.032 -11.205 1.00 0.00 C ATOM 1493 CD GLU A 93 4.202 -7.974 -11.540 1.00 0.00 C ATOM 1494 OE1 GLU A 93 5.109 -8.254 -12.344 1.00 0.00 O ATOM 1495 OE2 GLU A 93 4.101 -6.857 -11.006 1.00 0.00 O ATOM 0 H GLU A 93 1.097 -10.504 -10.162 1.00 0.00 H new ATOM 0 HA GLU A 93 0.837 -10.749 -13.100 1.00 0.00 H new ATOM 0 HB2 GLU A 93 2.844 -9.371 -13.284 1.00 0.00 H new ATOM 0 HB3 GLU A 93 1.552 -8.505 -12.475 1.00 0.00 H new ATOM 0 HG2 GLU A 93 2.595 -8.707 -10.347 1.00 0.00 H new ATOM 0 HG3 GLU A 93 3.698 -9.947 -10.910 1.00 0.00 H new