USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 587 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 Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -165:sc= 1.15 (180deg=0.811) USER MOD Single : A 29 GLN : amide:sc= -2.06 K(o=-2.1,f=-4.8!) USER MOD Single : A 31 SER OG : rot -33:sc= 0.615 USER MOD Single : A 32 SER OG : rot 96:sc= 1.24 USER MOD Single : A 35 HIS : no HD1:sc= -0.409 K(o=-0.41,f=-6.4!) USER MOD Single : A 39 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.151) USER MOD Single : A 40 MET CE :methyl -153:sc= -1.19 (180deg=-2.35!) USER MOD Single : A 41 THR OG1 : rot 32:sc= 0.311 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0159 USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=-0.0036) USER MOD Single : A 45 LYS NZ :NH3+ -177:sc= 1.24 (180deg=1.19) USER MOD Single : A 46 LYS NZ :NH3+ 165:sc= -0.117 (180deg=-0.512) USER MOD Single : A 48 LYS NZ :NH3+ -160:sc= 0.748 (180deg=-0.0036) USER MOD Single : A 50 SER OG : rot 77:sc= 1.1 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 67:sc= 1.03 USER MOD Single : A 53 GLN : amide:sc= -0.0611 K(o=-0.061,f=-0.93) USER MOD Single : A 55 GLN : amide:sc= -2.78! K(o=-2.8!,f=-0.24) USER MOD Single : A 59 MET CE :methyl -149:sc= -5.2! (180deg=-9.98!) USER MOD Single : A 60 ASN : amide:sc= -1.02 K(o=-1,f=-0.028) USER MOD Single : A 61 SER OG : rot 180:sc= -0.38 USER MOD Single : A 69 GLN : amide:sc= -1.2! K(o=-1.2!,f=-0.023) USER MOD Single : A 74 ASN : amide:sc= -0.392 K(o=-0.39,f=-6.3!) USER MOD Single : A 75 HIS : no HE2:sc= 0.575 K(o=0.58,f=-2.3!) USER MOD Single : A 76 THR OG1 : rot -140:sc= -0.269 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 154:sc= -1.09 (180deg=-2.44) USER MOD Single : A 91 TYR OH : rot 177:sc= 0.456 USER MOD Single : A 92 GLN : amide:sc= -0.24 K(o=-0.24,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 311 N ILE A 22 -7.743 6.872 9.493 1.00 0.00 N ATOM 312 CA ILE A 22 -8.760 6.388 8.592 1.00 0.00 C ATOM 313 C ILE A 22 -8.471 4.962 8.176 1.00 0.00 C ATOM 314 O ILE A 22 -7.330 4.513 8.203 1.00 0.00 O ATOM 315 CB ILE A 22 -8.846 7.246 7.328 1.00 0.00 C ATOM 316 CG1 ILE A 22 -7.470 7.375 6.689 1.00 0.00 C ATOM 317 CG2 ILE A 22 -9.432 8.616 7.642 1.00 0.00 C ATOM 318 CD1 ILE A 22 -7.529 7.555 5.205 1.00 0.00 C ATOM 0 HA ILE A 22 -9.707 6.440 9.129 1.00 0.00 H new ATOM 0 HB ILE A 22 -9.512 6.755 6.618 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -6.948 8.223 7.132 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.884 6.485 6.918 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -9.483 9.208 6.728 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -10.434 8.497 8.054 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.799 9.125 8.369 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.517 7.641 4.808 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -8.024 6.695 4.754 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -8.089 8.460 4.970 1.00 0.00 H new ATOM 330 N LYS A 23 -9.497 4.253 7.776 1.00 0.00 N ATOM 331 CA LYS A 23 -9.343 2.883 7.335 1.00 0.00 C ATOM 332 C LYS A 23 -9.433 2.825 5.829 1.00 0.00 C ATOM 333 O LYS A 23 -10.186 3.566 5.226 1.00 0.00 O ATOM 334 CB LYS A 23 -10.415 1.983 7.952 1.00 0.00 C ATOM 335 CG LYS A 23 -11.830 2.341 7.532 1.00 0.00 C ATOM 336 CD LYS A 23 -12.810 1.250 7.898 1.00 0.00 C ATOM 337 CE LYS A 23 -14.181 1.539 7.330 1.00 0.00 C ATOM 338 NZ LYS A 23 -15.134 0.427 7.579 1.00 0.00 N ATOM 0 H LYS A 23 -10.455 4.602 7.746 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.367 2.523 7.661 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -10.213 0.949 7.672 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -10.343 2.039 9.038 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -12.127 3.274 8.011 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -11.859 2.511 6.456 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -12.451 0.292 7.521 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -12.873 1.162 8.983 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -14.571 2.456 7.773 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -14.099 1.713 6.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -16.061 0.667 7.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -14.776 -0.443 7.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -15.233 0.277 8.603 1.00 0.00 H new ATOM 352 N LEU A 24 -8.647 1.977 5.220 1.00 0.00 N ATOM 353 CA LEU A 24 -8.655 1.823 3.781 1.00 0.00 C ATOM 354 C LEU A 24 -8.477 0.361 3.414 1.00 0.00 C ATOM 355 O LEU A 24 -8.338 -0.503 4.296 1.00 0.00 O ATOM 356 CB LEU A 24 -7.553 2.657 3.118 1.00 0.00 C ATOM 357 CG LEU A 24 -7.436 4.108 3.562 1.00 0.00 C ATOM 358 CD1 LEU A 24 -6.563 4.227 4.799 1.00 0.00 C ATOM 359 CD2 LEU A 24 -6.887 4.949 2.445 1.00 0.00 C ATOM 0 H LEU A 24 -7.982 1.372 5.703 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.617 2.181 3.415 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.597 2.166 3.302 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.717 2.643 2.040 1.00 0.00 H new ATOM 0 HG LEU A 24 -8.432 4.471 3.817 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.495 5.273 5.097 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.001 3.646 5.611 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.566 3.847 4.578 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.808 5.985 2.775 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.900 4.581 2.164 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.554 4.892 1.585 1.00 0.00 H new ATOM 371 N LYS A 25 -8.451 0.077 2.122 1.00 0.00 N ATOM 372 CA LYS A 25 -8.312 -1.279 1.639 1.00 0.00 C ATOM 373 C LYS A 25 -7.599 -1.289 0.301 1.00 0.00 C ATOM 374 O LYS A 25 -7.755 -0.378 -0.511 1.00 0.00 O ATOM 375 CB LYS A 25 -9.694 -1.952 1.527 1.00 0.00 C ATOM 376 CG LYS A 25 -9.659 -3.394 1.013 1.00 0.00 C ATOM 377 CD LYS A 25 -9.840 -3.465 -0.493 1.00 0.00 C ATOM 378 CE LYS A 25 -11.272 -3.166 -0.899 1.00 0.00 C ATOM 379 NZ LYS A 25 -12.209 -4.238 -0.460 1.00 0.00 N ATOM 0 H LYS A 25 -8.526 0.779 1.385 1.00 0.00 H new ATOM 0 HA LYS A 25 -7.713 -1.846 2.351 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.170 -1.941 2.508 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.320 -1.358 0.862 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.709 -3.853 1.286 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.444 -3.972 1.500 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.169 -2.754 -0.975 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.561 -4.457 -0.847 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.581 -2.214 -0.467 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.327 -3.057 -1.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.114 -4.135 -0.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -11.797 -5.168 -0.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.371 -4.160 0.564 1.00 0.00 H new ATOM 393 N VAL A 26 -6.810 -2.317 0.059 1.00 0.00 N ATOM 394 CA VAL A 26 -6.090 -2.432 -1.206 1.00 0.00 C ATOM 395 C VAL A 26 -6.160 -3.862 -1.714 1.00 0.00 C ATOM 396 O VAL A 26 -6.116 -4.812 -0.928 1.00 0.00 O ATOM 397 CB VAL A 26 -4.601 -1.967 -1.109 1.00 0.00 C ATOM 398 CG1 VAL A 26 -4.472 -0.716 -0.262 1.00 0.00 C ATOM 399 CG2 VAL A 26 -3.715 -3.054 -0.568 1.00 0.00 C ATOM 0 H VAL A 26 -6.648 -3.083 0.713 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.581 -1.761 -1.911 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.272 -1.736 -2.122 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.425 -0.416 -0.213 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.059 0.087 -0.708 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.839 -0.918 0.744 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.688 -2.693 -0.515 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.052 -3.336 0.429 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.761 -3.922 -1.225 1.00 0.00 H new ATOM 409 N ILE A 27 -6.306 -4.023 -3.018 1.00 0.00 N ATOM 410 CA ILE A 27 -6.421 -5.342 -3.624 1.00 0.00 C ATOM 411 C ILE A 27 -5.304 -5.565 -4.625 1.00 0.00 C ATOM 412 O ILE A 27 -4.910 -4.650 -5.349 1.00 0.00 O ATOM 413 CB ILE A 27 -7.776 -5.497 -4.348 1.00 0.00 C ATOM 414 CG1 ILE A 27 -8.911 -5.222 -3.380 1.00 0.00 C ATOM 415 CG2 ILE A 27 -7.919 -6.898 -4.941 1.00 0.00 C ATOM 416 CD1 ILE A 27 -10.228 -4.916 -4.053 1.00 0.00 C ATOM 0 H ILE A 27 -6.348 -3.251 -3.683 1.00 0.00 H new ATOM 0 HA ILE A 27 -6.352 -6.080 -2.825 1.00 0.00 H new ATOM 0 HB ILE A 27 -7.817 -4.776 -5.164 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -9.039 -6.087 -2.730 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -8.636 -4.382 -2.742 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -8.881 -6.983 -5.446 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -7.117 -7.073 -5.658 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -7.861 -7.638 -4.143 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -10.989 -4.731 -3.295 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -10.119 -4.032 -4.681 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -10.528 -5.764 -4.669 1.00 0.00 H new ATOM 428 N GLY A 28 -4.791 -6.775 -4.671 1.00 0.00 N ATOM 429 CA GLY A 28 -3.742 -7.085 -5.606 1.00 0.00 C ATOM 430 C GLY A 28 -4.094 -8.261 -6.473 1.00 0.00 C ATOM 431 O GLY A 28 -5.097 -8.934 -6.234 1.00 0.00 O ATOM 0 H GLY A 28 -5.082 -7.551 -4.076 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.547 -6.216 -6.234 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -2.822 -7.298 -5.062 1.00 0.00 H new ATOM 435 N GLN A 29 -3.252 -8.537 -7.467 1.00 0.00 N ATOM 436 CA GLN A 29 -3.472 -9.644 -8.413 1.00 0.00 C ATOM 437 C GLN A 29 -3.406 -11.006 -7.717 1.00 0.00 C ATOM 438 O GLN A 29 -3.583 -12.049 -8.336 1.00 0.00 O ATOM 439 CB GLN A 29 -2.444 -9.592 -9.551 1.00 0.00 C ATOM 440 CG GLN A 29 -1.034 -10.055 -9.175 1.00 0.00 C ATOM 441 CD GLN A 29 -0.386 -9.220 -8.083 1.00 0.00 C ATOM 442 OE1 GLN A 29 0.195 -8.182 -8.344 1.00 0.00 O ATOM 443 NE2 GLN A 29 -0.458 -9.694 -6.859 1.00 0.00 N ATOM 0 H GLN A 29 -2.400 -8.006 -7.644 1.00 0.00 H new ATOM 0 HA GLN A 29 -4.474 -9.523 -8.826 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.805 -10.209 -10.374 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.387 -8.568 -9.921 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -1.078 -11.094 -8.848 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.403 -10.027 -10.064 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -0.954 -10.567 -6.679 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -0.018 -9.189 -6.090 1.00 0.00 H new ATOM 452 N ASP A 30 -3.139 -10.986 -6.427 1.00 0.00 N ATOM 453 CA ASP A 30 -3.064 -12.194 -5.631 1.00 0.00 C ATOM 454 C ASP A 30 -4.461 -12.586 -5.156 1.00 0.00 C ATOM 455 O ASP A 30 -4.640 -13.578 -4.455 1.00 0.00 O ATOM 456 CB ASP A 30 -2.130 -11.962 -4.426 1.00 0.00 C ATOM 457 CG ASP A 30 -1.929 -13.199 -3.563 1.00 0.00 C ATOM 458 OD1 ASP A 30 -1.261 -14.148 -4.018 1.00 0.00 O ATOM 459 OD2 ASP A 30 -2.422 -13.216 -2.422 1.00 0.00 O ATOM 0 H ASP A 30 -2.968 -10.130 -5.900 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.661 -13.006 -6.237 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.160 -11.621 -4.789 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.539 -11.162 -3.809 1.00 0.00 H new ATOM 464 N SER A 31 -5.472 -11.787 -5.556 1.00 0.00 N ATOM 465 CA SER A 31 -6.866 -12.001 -5.155 1.00 0.00 C ATOM 466 C SER A 31 -7.045 -11.718 -3.668 1.00 0.00 C ATOM 467 O SER A 31 -8.090 -12.011 -3.075 1.00 0.00 O ATOM 468 CB SER A 31 -7.344 -13.422 -5.516 1.00 0.00 C ATOM 469 OG SER A 31 -8.734 -13.583 -5.251 1.00 0.00 O ATOM 0 H SER A 31 -5.339 -10.979 -6.164 1.00 0.00 H new ATOM 0 HA SER A 31 -7.488 -11.300 -5.711 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.148 -13.617 -6.570 1.00 0.00 H new ATOM 0 HB3 SER A 31 -6.775 -14.156 -4.945 1.00 0.00 H new ATOM 0 HG SER A 31 -8.984 -13.041 -4.474 1.00 0.00 H new ATOM 475 N SER A 32 -6.038 -11.119 -3.073 1.00 0.00 N ATOM 476 CA SER A 32 -6.064 -10.791 -1.680 1.00 0.00 C ATOM 477 C SER A 32 -6.239 -9.297 -1.493 1.00 0.00 C ATOM 478 O SER A 32 -6.075 -8.506 -2.441 1.00 0.00 O ATOM 479 CB SER A 32 -4.775 -11.268 -1.010 1.00 0.00 C ATOM 480 OG SER A 32 -4.637 -12.677 -1.128 1.00 0.00 O ATOM 0 H SER A 32 -5.178 -10.848 -3.550 1.00 0.00 H new ATOM 0 HA SER A 32 -6.910 -11.295 -1.213 1.00 0.00 H new ATOM 0 HB2 SER A 32 -3.918 -10.774 -1.468 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.781 -10.985 0.043 1.00 0.00 H new ATOM 0 HG SER A 32 -4.068 -12.887 -1.898 1.00 0.00 H new ATOM 486 N GLU A 33 -6.559 -8.905 -0.281 1.00 0.00 N ATOM 487 CA GLU A 33 -6.749 -7.525 0.052 1.00 0.00 C ATOM 488 C GLU A 33 -6.390 -7.308 1.501 1.00 0.00 C ATOM 489 O GLU A 33 -6.407 -8.246 2.302 1.00 0.00 O ATOM 490 CB GLU A 33 -8.190 -7.062 -0.229 1.00 0.00 C ATOM 491 CG GLU A 33 -9.273 -7.735 0.609 1.00 0.00 C ATOM 492 CD GLU A 33 -10.619 -7.036 0.471 1.00 0.00 C ATOM 493 OE1 GLU A 33 -11.018 -6.715 -0.665 1.00 0.00 O ATOM 494 OE2 GLU A 33 -11.271 -6.771 1.507 1.00 0.00 O ATOM 0 H GLU A 33 -6.694 -9.545 0.502 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.094 -6.924 -0.580 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -8.245 -5.986 -0.066 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.410 -7.236 -1.282 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.373 -8.777 0.304 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.972 -7.737 1.656 1.00 0.00 H new ATOM 501 N ILE A 34 -6.062 -6.094 1.851 1.00 0.00 N ATOM 502 CA ILE A 34 -5.694 -5.781 3.215 1.00 0.00 C ATOM 503 C ILE A 34 -6.420 -4.526 3.664 1.00 0.00 C ATOM 504 O ILE A 34 -6.621 -3.588 2.874 1.00 0.00 O ATOM 505 CB ILE A 34 -4.152 -5.589 3.379 1.00 0.00 C ATOM 506 CG1 ILE A 34 -3.755 -5.428 4.851 1.00 0.00 C ATOM 507 CG2 ILE A 34 -3.657 -4.415 2.574 1.00 0.00 C ATOM 508 CD1 ILE A 34 -3.572 -6.738 5.579 1.00 0.00 C ATOM 0 H ILE A 34 -6.040 -5.299 1.212 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.987 -6.625 3.839 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.677 -6.493 2.998 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.827 -4.859 4.907 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.519 -4.843 5.362 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.581 -4.309 2.710 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.875 -4.580 1.519 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.157 -3.507 2.910 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.292 -6.543 6.614 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.505 -7.301 5.555 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.787 -7.317 5.094 1.00 0.00 H new ATOM 520 N HIS A 35 -6.870 -4.527 4.899 1.00 0.00 N ATOM 521 CA HIS A 35 -7.520 -3.373 5.483 1.00 0.00 C ATOM 522 C HIS A 35 -6.596 -2.787 6.518 1.00 0.00 C ATOM 523 O HIS A 35 -5.951 -3.523 7.264 1.00 0.00 O ATOM 524 CB HIS A 35 -8.846 -3.759 6.154 1.00 0.00 C ATOM 525 CG HIS A 35 -9.881 -4.320 5.229 1.00 0.00 C ATOM 526 ND1 HIS A 35 -11.202 -4.462 5.582 1.00 0.00 N ATOM 527 CD2 HIS A 35 -9.784 -4.789 3.966 1.00 0.00 C ATOM 528 CE1 HIS A 35 -11.869 -4.994 4.581 1.00 0.00 C ATOM 529 NE2 HIS A 35 -11.031 -5.201 3.588 1.00 0.00 N ATOM 0 H HIS A 35 -6.796 -5.327 5.527 1.00 0.00 H new ATOM 0 HA HIS A 35 -7.737 -2.652 4.695 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -8.642 -4.492 6.934 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -9.258 -2.877 6.645 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -8.887 -4.831 3.366 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -12.925 -5.222 4.575 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -11.273 -5.604 2.683 1.00 0.00 H new ATOM 538 N PHE A 36 -6.505 -1.490 6.575 1.00 0.00 N ATOM 539 CA PHE A 36 -5.620 -0.853 7.530 1.00 0.00 C ATOM 540 C PHE A 36 -6.140 0.496 7.950 1.00 0.00 C ATOM 541 O PHE A 36 -6.748 1.215 7.157 1.00 0.00 O ATOM 542 CB PHE A 36 -4.196 -0.723 6.958 1.00 0.00 C ATOM 543 CG PHE A 36 -4.151 -0.251 5.534 1.00 0.00 C ATOM 544 CD1 PHE A 36 -4.247 1.093 5.226 1.00 0.00 C ATOM 545 CD2 PHE A 36 -4.017 -1.161 4.504 1.00 0.00 C ATOM 546 CE1 PHE A 36 -4.212 1.521 3.916 1.00 0.00 C ATOM 547 CE2 PHE A 36 -3.983 -0.744 3.198 1.00 0.00 C ATOM 548 CZ PHE A 36 -4.080 0.600 2.900 1.00 0.00 C ATOM 0 H PHE A 36 -7.026 -0.848 5.978 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.583 -1.490 8.414 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.628 -0.029 7.578 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.699 -1.691 7.025 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.351 1.817 6.021 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.938 -2.214 4.730 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.288 2.574 3.687 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.880 -1.467 2.403 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.052 0.929 1.872 1.00 0.00 H new ATOM 584 N VAL A 38 -4.762 3.802 8.997 1.00 0.00 N ATOM 585 CA VAL A 38 -3.579 4.634 9.057 1.00 0.00 C ATOM 586 C VAL A 38 -3.933 6.037 9.489 1.00 0.00 C ATOM 587 O VAL A 38 -5.077 6.335 9.770 1.00 0.00 O ATOM 588 CB VAL A 38 -2.843 4.682 7.698 1.00 0.00 C ATOM 589 CG1 VAL A 38 -2.312 3.309 7.325 1.00 0.00 C ATOM 590 CG2 VAL A 38 -3.751 5.226 6.603 1.00 0.00 C ATOM 0 HA VAL A 38 -2.911 4.187 9.793 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.995 5.360 7.799 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.798 3.366 6.366 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.615 2.968 8.091 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.142 2.606 7.251 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.208 5.249 5.658 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.626 4.584 6.503 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.070 6.235 6.863 1.00 0.00 H new ATOM 600 N LYS A 39 -2.959 6.909 9.495 1.00 0.00 N ATOM 601 CA LYS A 39 -3.163 8.268 9.939 1.00 0.00 C ATOM 602 C LYS A 39 -3.452 9.148 8.733 1.00 0.00 C ATOM 603 O LYS A 39 -3.115 8.782 7.604 1.00 0.00 O ATOM 604 CB LYS A 39 -1.917 8.764 10.688 1.00 0.00 C ATOM 605 CG LYS A 39 -2.036 10.166 11.269 1.00 0.00 C ATOM 606 CD LYS A 39 -0.750 10.586 11.963 1.00 0.00 C ATOM 607 CE LYS A 39 -0.601 9.939 13.330 1.00 0.00 C ATOM 608 NZ LYS A 39 -1.562 10.501 14.313 1.00 0.00 N ATOM 0 H LYS A 39 -2.006 6.702 9.195 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.012 8.312 10.621 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.696 8.068 11.497 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.067 8.740 10.006 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -2.270 10.873 10.473 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.863 10.199 11.979 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.103 10.316 11.340 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.735 11.670 12.072 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.757 8.864 13.242 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.417 10.085 13.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -1.281 10.218 15.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.562 11.539 14.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.516 10.140 14.111 1.00 0.00 H new ATOM 622 N MET A 40 -4.093 10.302 8.960 1.00 0.00 N ATOM 623 CA MET A 40 -4.387 11.253 7.881 1.00 0.00 C ATOM 624 C MET A 40 -3.123 11.551 7.083 1.00 0.00 C ATOM 625 O MET A 40 -3.157 11.753 5.868 1.00 0.00 O ATOM 626 CB MET A 40 -4.968 12.550 8.458 1.00 0.00 C ATOM 627 CG MET A 40 -5.344 13.617 7.419 1.00 0.00 C ATOM 628 SD MET A 40 -6.844 13.229 6.468 1.00 0.00 S ATOM 629 CE MET A 40 -6.208 12.165 5.165 1.00 0.00 C ATOM 0 H MET A 40 -4.417 10.599 9.880 1.00 0.00 H new ATOM 0 HA MET A 40 -5.125 10.807 7.214 1.00 0.00 H new ATOM 0 HB2 MET A 40 -5.856 12.304 9.040 1.00 0.00 H new ATOM 0 HB3 MET A 40 -4.242 12.979 9.149 1.00 0.00 H new ATOM 0 HG2 MET A 40 -5.486 14.571 7.928 1.00 0.00 H new ATOM 0 HG3 MET A 40 -4.511 13.745 6.728 1.00 0.00 H new ATOM 0 HE1 MET A 40 -6.849 12.242 4.287 1.00 0.00 H new ATOM 0 HE2 MET A 40 -5.196 12.475 4.904 1.00 0.00 H new ATOM 0 HE3 MET A 40 -6.193 11.132 5.514 1.00 0.00 H new ATOM 639 N THR A 41 -2.000 11.572 7.770 1.00 0.00 N ATOM 640 CA THR A 41 -0.734 11.784 7.142 1.00 0.00 C ATOM 641 C THR A 41 0.263 10.735 7.643 1.00 0.00 C ATOM 642 O THR A 41 0.527 10.630 8.842 1.00 0.00 O ATOM 643 CB THR A 41 -0.225 13.211 7.453 1.00 0.00 C ATOM 644 OG1 THR A 41 -0.157 13.413 8.877 1.00 0.00 O ATOM 645 CG2 THR A 41 -1.174 14.240 6.860 1.00 0.00 C ATOM 0 H THR A 41 -1.950 11.441 8.780 1.00 0.00 H new ATOM 0 HA THR A 41 -0.839 11.684 6.062 1.00 0.00 H new ATOM 0 HB THR A 41 0.767 13.327 7.017 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.054 12.564 9.318 1.00 0.00 H new ATOM 0 HG21 THR A 41 -0.809 15.243 7.083 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.228 14.105 5.780 1.00 0.00 H new ATOM 0 HG23 THR A 41 -2.167 14.111 7.292 1.00 0.00 H new ATOM 653 N THR A 42 0.793 9.931 6.732 1.00 0.00 N ATOM 654 CA THR A 42 1.738 8.889 7.090 1.00 0.00 C ATOM 655 C THR A 42 2.324 8.257 5.827 1.00 0.00 C ATOM 656 O THR A 42 1.904 8.571 4.711 1.00 0.00 O ATOM 657 CB THR A 42 1.067 7.791 7.968 1.00 0.00 C ATOM 658 OG1 THR A 42 2.061 6.930 8.553 1.00 0.00 O ATOM 659 CG2 THR A 42 0.097 6.952 7.146 1.00 0.00 C ATOM 0 H THR A 42 0.582 9.983 5.735 1.00 0.00 H new ATOM 0 HA THR A 42 2.537 9.347 7.672 1.00 0.00 H new ATOM 0 HB THR A 42 0.516 8.296 8.761 1.00 0.00 H new ATOM 0 HG1 THR A 42 1.621 6.248 9.102 1.00 0.00 H new ATOM 0 HG21 THR A 42 -0.358 6.193 7.783 1.00 0.00 H new ATOM 0 HG22 THR A 42 -0.682 7.594 6.735 1.00 0.00 H new ATOM 0 HG23 THR A 42 0.635 6.467 6.331 1.00 0.00 H new ATOM 667 N HIS A 43 3.278 7.362 6.000 1.00 0.00 N ATOM 668 CA HIS A 43 3.908 6.689 4.880 1.00 0.00 C ATOM 669 C HIS A 43 3.195 5.396 4.561 1.00 0.00 C ATOM 670 O HIS A 43 3.117 4.490 5.397 1.00 0.00 O ATOM 671 CB HIS A 43 5.378 6.408 5.176 1.00 0.00 C ATOM 672 CG HIS A 43 6.188 7.641 5.376 1.00 0.00 C ATOM 673 ND1 HIS A 43 6.975 7.854 6.479 1.00 0.00 N ATOM 674 CD2 HIS A 43 6.320 8.737 4.602 1.00 0.00 C ATOM 675 CE1 HIS A 43 7.556 9.031 6.380 1.00 0.00 C ATOM 676 NE2 HIS A 43 7.175 9.588 5.248 1.00 0.00 N ATOM 0 H HIS A 43 3.636 7.083 6.913 1.00 0.00 H new ATOM 0 HA HIS A 43 3.842 7.349 4.015 1.00 0.00 H new ATOM 0 HB2 HIS A 43 5.449 5.787 6.069 1.00 0.00 H new ATOM 0 HB3 HIS A 43 5.803 5.833 4.353 1.00 0.00 H new ATOM 0 HD2 HIS A 43 5.841 8.911 3.650 1.00 0.00 H new ATOM 0 HE1 HIS A 43 8.230 9.466 7.103 1.00 0.00 H new ATOM 0 HE2 HIS A 43 7.469 10.504 4.909 1.00 0.00 H new ATOM 685 N LEU A 44 2.669 5.295 3.346 1.00 0.00 N ATOM 686 CA LEU A 44 1.950 4.092 2.901 1.00 0.00 C ATOM 687 C LEU A 44 2.843 2.844 2.906 1.00 0.00 C ATOM 688 O LEU A 44 2.364 1.717 2.758 1.00 0.00 O ATOM 689 CB LEU A 44 1.348 4.308 1.513 1.00 0.00 C ATOM 690 CG LEU A 44 0.331 5.448 1.397 1.00 0.00 C ATOM 691 CD1 LEU A 44 -0.277 5.474 0.012 1.00 0.00 C ATOM 692 CD2 LEU A 44 -0.756 5.325 2.456 1.00 0.00 C ATOM 0 H LEU A 44 2.724 6.032 2.643 1.00 0.00 H new ATOM 0 HA LEU A 44 1.146 3.918 3.616 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.160 4.498 0.811 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.865 3.382 1.199 1.00 0.00 H new ATOM 0 HG LEU A 44 0.857 6.388 1.565 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.997 6.289 -0.054 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.509 5.624 -0.728 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.782 4.528 -0.182 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.463 6.148 2.349 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.280 4.377 2.331 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.304 5.362 3.447 1.00 0.00 H new ATOM 704 N LYS A 45 4.137 3.036 3.079 1.00 0.00 N ATOM 705 CA LYS A 45 5.072 1.932 3.158 1.00 0.00 C ATOM 706 C LYS A 45 4.682 1.008 4.321 1.00 0.00 C ATOM 707 O LYS A 45 4.876 -0.205 4.269 1.00 0.00 O ATOM 708 CB LYS A 45 6.494 2.481 3.329 1.00 0.00 C ATOM 709 CG LYS A 45 7.599 1.440 3.223 1.00 0.00 C ATOM 710 CD LYS A 45 7.901 0.770 4.555 1.00 0.00 C ATOM 711 CE LYS A 45 8.362 1.776 5.601 1.00 0.00 C ATOM 712 NZ LYS A 45 8.762 1.111 6.868 1.00 0.00 N ATOM 0 H LYS A 45 4.567 3.957 3.168 1.00 0.00 H new ATOM 0 HA LYS A 45 5.041 1.347 2.239 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.665 3.249 2.575 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.565 2.968 4.302 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.310 0.681 2.496 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.505 1.914 2.845 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.010 0.255 4.914 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.672 0.012 4.414 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.203 2.348 5.209 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.560 2.486 5.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.021 1.832 7.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.968 0.545 7.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 9.578 0.490 6.692 1.00 0.00 H new ATOM 726 N LYS A 46 4.091 1.597 5.356 1.00 0.00 N ATOM 727 CA LYS A 46 3.626 0.866 6.519 1.00 0.00 C ATOM 728 C LYS A 46 2.562 -0.168 6.134 1.00 0.00 C ATOM 729 O LYS A 46 2.499 -1.271 6.698 1.00 0.00 O ATOM 730 CB LYS A 46 3.062 1.858 7.540 1.00 0.00 C ATOM 731 CG LYS A 46 2.227 1.223 8.624 1.00 0.00 C ATOM 732 CD LYS A 46 0.739 1.465 8.405 1.00 0.00 C ATOM 733 CE LYS A 46 -0.088 0.846 9.520 1.00 0.00 C ATOM 734 NZ LYS A 46 0.408 1.234 10.872 1.00 0.00 N ATOM 0 H LYS A 46 3.922 2.602 5.407 1.00 0.00 H new ATOM 0 HA LYS A 46 4.466 0.326 6.956 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.890 2.396 8.003 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.456 2.596 7.016 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.421 0.151 8.651 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.522 1.625 9.593 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.545 2.537 8.357 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.436 1.043 7.447 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.128 1.156 9.414 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.068 -0.240 9.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.315 1.009 11.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.280 0.709 11.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.606 2.255 10.889 1.00 0.00 H new ATOM 748 N LEU A 47 1.740 0.172 5.158 1.00 0.00 N ATOM 749 CA LEU A 47 0.683 -0.720 4.730 1.00 0.00 C ATOM 750 C LEU A 47 1.268 -1.816 3.856 1.00 0.00 C ATOM 751 O LEU A 47 0.780 -2.942 3.847 1.00 0.00 O ATOM 752 CB LEU A 47 -0.447 0.045 4.016 1.00 0.00 C ATOM 753 CG LEU A 47 -0.224 0.409 2.552 1.00 0.00 C ATOM 754 CD1 LEU A 47 -0.697 -0.705 1.642 1.00 0.00 C ATOM 755 CD2 LEU A 47 -0.925 1.701 2.221 1.00 0.00 C ATOM 0 H LEU A 47 1.785 1.055 4.650 1.00 0.00 H new ATOM 0 HA LEU A 47 0.232 -1.182 5.608 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.355 -0.555 4.081 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.634 0.966 4.569 1.00 0.00 H new ATOM 0 HG LEU A 47 0.845 0.544 2.391 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.528 -0.423 0.603 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.143 -1.617 1.865 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.761 -0.879 1.802 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.757 1.948 1.173 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.994 1.591 2.401 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.532 2.500 2.850 1.00 0.00 H new ATOM 767 N LYS A 48 2.339 -1.483 3.113 1.00 0.00 N ATOM 768 CA LYS A 48 3.054 -2.487 2.315 1.00 0.00 C ATOM 769 C LYS A 48 3.545 -3.599 3.217 1.00 0.00 C ATOM 770 O LYS A 48 3.385 -4.785 2.924 1.00 0.00 O ATOM 771 CB LYS A 48 4.264 -1.883 1.600 1.00 0.00 C ATOM 772 CG LYS A 48 4.003 -1.371 0.197 1.00 0.00 C ATOM 773 CD LYS A 48 3.219 -0.077 0.191 1.00 0.00 C ATOM 774 CE LYS A 48 3.213 0.539 -1.200 1.00 0.00 C ATOM 775 NZ LYS A 48 4.539 0.397 -1.873 1.00 0.00 N ATOM 0 H LYS A 48 2.722 -0.540 3.050 1.00 0.00 H new ATOM 0 HA LYS A 48 2.357 -2.869 1.569 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.647 -1.060 2.203 1.00 0.00 H new ATOM 0 HB3 LYS A 48 5.050 -2.637 1.553 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.954 -1.219 -0.314 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.456 -2.127 -0.367 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.196 -0.264 0.516 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.657 0.623 0.903 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.444 0.061 -1.807 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.952 1.595 -1.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.615 1.094 -2.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.299 0.560 -1.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.628 -0.562 -2.266 1.00 0.00 H new ATOM 789 N GLU A 49 4.137 -3.204 4.334 1.00 0.00 N ATOM 790 CA GLU A 49 4.654 -4.147 5.299 1.00 0.00 C ATOM 791 C GLU A 49 3.528 -4.970 5.865 1.00 0.00 C ATOM 792 O GLU A 49 3.577 -6.183 5.852 1.00 0.00 O ATOM 793 CB GLU A 49 5.386 -3.413 6.413 1.00 0.00 C ATOM 794 CG GLU A 49 6.444 -2.467 5.888 1.00 0.00 C ATOM 795 CD GLU A 49 7.267 -1.825 6.974 1.00 0.00 C ATOM 796 OE1 GLU A 49 6.879 -0.749 7.469 1.00 0.00 O ATOM 797 OE2 GLU A 49 8.322 -2.383 7.325 1.00 0.00 O ATOM 0 H GLU A 49 4.269 -2.226 4.591 1.00 0.00 H new ATOM 0 HA GLU A 49 5.360 -4.812 4.801 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.666 -2.852 7.009 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.852 -4.140 7.078 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.106 -3.012 5.215 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.962 -1.687 5.298 1.00 0.00 H new ATOM 804 N SER A 50 2.488 -4.300 6.320 1.00 0.00 N ATOM 805 CA SER A 50 1.320 -4.970 6.887 1.00 0.00 C ATOM 806 C SER A 50 0.698 -5.956 5.872 1.00 0.00 C ATOM 807 O SER A 50 0.127 -6.986 6.241 1.00 0.00 O ATOM 808 CB SER A 50 0.290 -3.927 7.329 1.00 0.00 C ATOM 809 OG SER A 50 0.878 -2.968 8.208 1.00 0.00 O ATOM 0 H SER A 50 2.422 -3.282 6.310 1.00 0.00 H new ATOM 0 HA SER A 50 1.637 -5.547 7.756 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.119 -3.421 6.454 1.00 0.00 H new ATOM 0 HB3 SER A 50 -0.542 -4.422 7.829 1.00 0.00 H new ATOM 0 HG SER A 50 1.415 -2.334 7.688 1.00 0.00 H new ATOM 815 N TYR A 51 0.860 -5.654 4.589 1.00 0.00 N ATOM 816 CA TYR A 51 0.343 -6.514 3.534 1.00 0.00 C ATOM 817 C TYR A 51 1.228 -7.754 3.436 1.00 0.00 C ATOM 818 O TYR A 51 0.754 -8.891 3.495 1.00 0.00 O ATOM 819 CB TYR A 51 0.313 -5.775 2.181 1.00 0.00 C ATOM 820 CG TYR A 51 -0.551 -6.439 1.109 1.00 0.00 C ATOM 821 CD1 TYR A 51 -0.392 -7.778 0.781 1.00 0.00 C ATOM 822 CD2 TYR A 51 -1.524 -5.718 0.435 1.00 0.00 C ATOM 823 CE1 TYR A 51 -1.175 -8.378 -0.185 1.00 0.00 C ATOM 824 CE2 TYR A 51 -2.315 -6.313 -0.537 1.00 0.00 C ATOM 825 CZ TYR A 51 -2.134 -7.643 -0.840 1.00 0.00 C ATOM 826 OH TYR A 51 -2.914 -8.236 -1.805 1.00 0.00 O ATOM 0 H TYR A 51 1.345 -4.821 4.256 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.680 -6.802 3.777 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -0.051 -4.761 2.345 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.333 -5.691 1.806 1.00 0.00 H new ATOM 0 HD1 TYR A 51 0.359 -8.362 1.292 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -1.669 -4.674 0.671 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -1.034 -9.422 -0.425 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.068 -5.736 -1.053 1.00 0.00 H new ATOM 0 HH TYR A 51 -3.542 -7.577 -2.168 1.00 0.00 H new ATOM 836 N CYS A 52 2.521 -7.525 3.311 1.00 0.00 N ATOM 837 CA CYS A 52 3.490 -8.595 3.189 1.00 0.00 C ATOM 838 C CYS A 52 3.540 -9.451 4.452 1.00 0.00 C ATOM 839 O CYS A 52 3.770 -10.646 4.391 1.00 0.00 O ATOM 840 CB CYS A 52 4.877 -8.018 2.873 1.00 0.00 C ATOM 841 SG CYS A 52 6.171 -9.256 2.658 1.00 0.00 S ATOM 0 H CYS A 52 2.929 -6.590 3.291 1.00 0.00 H new ATOM 0 HA CYS A 52 3.179 -9.240 2.367 1.00 0.00 H new ATOM 0 HB2 CYS A 52 4.809 -7.420 1.964 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.168 -7.343 3.678 1.00 0.00 H new ATOM 0 HG CYS A 52 5.927 -9.958 1.591 1.00 0.00 H new ATOM 847 N GLN A 53 3.323 -8.839 5.596 1.00 0.00 N ATOM 848 CA GLN A 53 3.365 -9.554 6.862 1.00 0.00 C ATOM 849 C GLN A 53 2.136 -10.439 7.057 1.00 0.00 C ATOM 850 O GLN A 53 2.229 -11.529 7.612 1.00 0.00 O ATOM 851 CB GLN A 53 3.514 -8.572 8.022 1.00 0.00 C ATOM 852 CG GLN A 53 4.798 -7.771 7.964 1.00 0.00 C ATOM 853 CD GLN A 53 6.022 -8.623 8.196 1.00 0.00 C ATOM 854 OE1 GLN A 53 5.974 -9.638 8.889 1.00 0.00 O ATOM 855 NE2 GLN A 53 7.124 -8.220 7.617 1.00 0.00 N ATOM 0 H GLN A 53 3.115 -7.844 5.680 1.00 0.00 H new ATOM 0 HA GLN A 53 4.235 -10.210 6.842 1.00 0.00 H new ATOM 0 HB2 GLN A 53 2.666 -7.887 8.021 1.00 0.00 H new ATOM 0 HB3 GLN A 53 3.479 -9.122 8.962 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.876 -7.286 6.991 1.00 0.00 H new ATOM 0 HG3 GLN A 53 4.763 -6.980 8.713 1.00 0.00 H new ATOM 0 HE21 GLN A 53 7.122 -7.372 7.050 1.00 0.00 H new ATOM 0 HE22 GLN A 53 7.985 -8.754 7.733 1.00 0.00 H new ATOM 864 N ARG A 54 0.986 -9.975 6.591 1.00 0.00 N ATOM 865 CA ARG A 54 -0.252 -10.721 6.763 1.00 0.00 C ATOM 866 C ARG A 54 -0.421 -11.782 5.678 1.00 0.00 C ATOM 867 O ARG A 54 -0.693 -12.944 5.966 1.00 0.00 O ATOM 868 CB ARG A 54 -1.446 -9.767 6.742 1.00 0.00 C ATOM 869 CG ARG A 54 -2.782 -10.429 7.049 1.00 0.00 C ATOM 870 CD ARG A 54 -2.825 -10.960 8.474 1.00 0.00 C ATOM 871 NE ARG A 54 -4.126 -11.545 8.803 1.00 0.00 N ATOM 872 CZ ARG A 54 -4.724 -11.434 9.995 1.00 0.00 C ATOM 873 NH1 ARG A 54 -4.151 -10.741 10.973 1.00 0.00 N ATOM 874 NH2 ARG A 54 -5.900 -12.007 10.200 1.00 0.00 N ATOM 0 H ARG A 54 0.884 -9.090 6.093 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.205 -11.227 7.727 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -1.273 -8.971 7.466 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.504 -9.297 5.760 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.588 -9.710 6.903 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.954 -11.247 6.349 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.046 -11.712 8.604 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -2.606 -10.150 9.169 1.00 0.00 H new ATOM 0 HE ARG A 54 -4.609 -12.072 8.075 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -3.250 -10.289 10.818 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.612 -10.660 11.879 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -6.349 -12.532 9.450 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -6.357 -11.923 11.108 1.00 0.00 H new ATOM 888 N GLN A 55 -0.257 -11.384 4.429 1.00 0.00 N ATOM 889 CA GLN A 55 -0.451 -12.294 3.304 1.00 0.00 C ATOM 890 C GLN A 55 0.818 -13.083 2.985 1.00 0.00 C ATOM 891 O GLN A 55 0.778 -14.079 2.257 1.00 0.00 O ATOM 892 CB GLN A 55 -0.937 -11.526 2.066 1.00 0.00 C ATOM 893 CG GLN A 55 -2.435 -11.195 2.078 1.00 0.00 C ATOM 894 CD GLN A 55 -2.825 -10.134 3.101 1.00 0.00 C ATOM 895 OE1 GLN A 55 -3.918 -10.173 3.666 1.00 0.00 O ATOM 896 NE2 GLN A 55 -1.957 -9.165 3.322 1.00 0.00 N ATOM 0 H GLN A 55 0.010 -10.436 4.163 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.217 -13.013 3.593 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.372 -10.597 1.984 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.714 -12.115 1.176 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.730 -10.854 1.085 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.997 -12.106 2.282 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.060 -9.163 2.837 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.183 -8.418 3.978 1.00 0.00 H new ATOM 905 N GLY A 56 1.944 -12.643 3.534 1.00 0.00 N ATOM 906 CA GLY A 56 3.215 -13.330 3.323 1.00 0.00 C ATOM 907 C GLY A 56 3.613 -13.416 1.856 1.00 0.00 C ATOM 908 O GLY A 56 4.114 -14.442 1.399 1.00 0.00 O ATOM 0 H GLY A 56 2.004 -11.816 4.127 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.998 -12.810 3.875 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.149 -14.337 3.735 1.00 0.00 H new ATOM 912 N VAL A 57 3.385 -12.348 1.118 1.00 0.00 N ATOM 913 CA VAL A 57 3.710 -12.310 -0.304 1.00 0.00 C ATOM 914 C VAL A 57 4.696 -11.179 -0.604 1.00 0.00 C ATOM 915 O VAL A 57 4.807 -10.231 0.175 1.00 0.00 O ATOM 916 CB VAL A 57 2.432 -12.154 -1.176 1.00 0.00 C ATOM 917 CG1 VAL A 57 1.652 -13.459 -1.218 1.00 0.00 C ATOM 918 CG2 VAL A 57 1.551 -11.035 -0.644 1.00 0.00 C ATOM 0 H VAL A 57 2.973 -11.487 1.478 1.00 0.00 H new ATOM 0 HA VAL A 57 4.178 -13.261 -0.559 1.00 0.00 H new ATOM 0 HB VAL A 57 2.742 -11.899 -2.189 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.761 -13.331 -1.833 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.277 -14.243 -1.645 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.358 -13.740 -0.207 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.663 -10.943 -1.269 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.253 -11.262 0.380 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.105 -10.096 -0.661 1.00 0.00 H new ATOM 928 N PRO A 58 5.449 -11.279 -1.721 1.00 0.00 N ATOM 929 CA PRO A 58 6.443 -10.267 -2.103 1.00 0.00 C ATOM 930 C PRO A 58 5.799 -8.949 -2.554 1.00 0.00 C ATOM 931 O PRO A 58 5.213 -8.860 -3.627 1.00 0.00 O ATOM 932 CB PRO A 58 7.196 -10.927 -3.262 1.00 0.00 C ATOM 933 CG PRO A 58 6.229 -11.898 -3.841 1.00 0.00 C ATOM 934 CD PRO A 58 5.396 -12.392 -2.696 1.00 0.00 C ATOM 0 HA PRO A 58 7.084 -9.991 -1.266 1.00 0.00 H new ATOM 0 HB2 PRO A 58 7.507 -10.190 -4.002 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.099 -11.428 -2.913 1.00 0.00 H new ATOM 0 HG2 PRO A 58 5.606 -11.422 -4.599 1.00 0.00 H new ATOM 0 HG3 PRO A 58 6.750 -12.723 -4.328 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.373 -12.604 -3.007 1.00 0.00 H new ATOM 0 HD3 PRO A 58 5.799 -13.313 -2.275 1.00 0.00 H new ATOM 942 N MET A 59 5.916 -7.924 -1.722 1.00 0.00 N ATOM 943 CA MET A 59 5.327 -6.617 -1.998 1.00 0.00 C ATOM 944 C MET A 59 6.123 -5.808 -3.019 1.00 0.00 C ATOM 945 O MET A 59 5.689 -4.743 -3.450 1.00 0.00 O ATOM 946 CB MET A 59 5.134 -5.827 -0.700 1.00 0.00 C ATOM 947 CG MET A 59 3.692 -5.815 -0.167 1.00 0.00 C ATOM 948 SD MET A 59 2.957 -7.460 0.024 1.00 0.00 S ATOM 949 CE MET A 59 2.250 -7.734 -1.602 1.00 0.00 C ATOM 0 H MET A 59 6.421 -7.973 -0.837 1.00 0.00 H new ATOM 0 HA MET A 59 4.351 -6.801 -2.447 1.00 0.00 H new ATOM 0 HB2 MET A 59 5.787 -6.246 0.066 1.00 0.00 H new ATOM 0 HB3 MET A 59 5.455 -4.799 -0.865 1.00 0.00 H new ATOM 0 HG2 MET A 59 3.678 -5.309 0.798 1.00 0.00 H new ATOM 0 HG3 MET A 59 3.071 -5.228 -0.844 1.00 0.00 H new ATOM 0 HE1 MET A 59 1.360 -8.357 -1.512 1.00 0.00 H new ATOM 0 HE2 MET A 59 1.979 -6.777 -2.047 1.00 0.00 H new ATOM 0 HE3 MET A 59 2.981 -8.235 -2.237 1.00 0.00 H new ATOM 959 N ASN A 60 7.298 -6.285 -3.390 1.00 0.00 N ATOM 960 CA ASN A 60 8.128 -5.567 -4.361 1.00 0.00 C ATOM 961 C ASN A 60 7.820 -6.023 -5.785 1.00 0.00 C ATOM 962 O ASN A 60 7.903 -5.239 -6.734 1.00 0.00 O ATOM 963 CB ASN A 60 9.621 -5.754 -4.067 1.00 0.00 C ATOM 964 CG ASN A 60 9.992 -5.477 -2.625 1.00 0.00 C ATOM 965 OD1 ASN A 60 10.985 -6.001 -2.117 1.00 0.00 O ATOM 966 ND2 ASN A 60 9.204 -4.672 -1.951 1.00 0.00 N ATOM 0 H ASN A 60 7.702 -7.155 -3.043 1.00 0.00 H new ATOM 0 HA ASN A 60 7.889 -4.508 -4.270 1.00 0.00 H new ATOM 0 HB2 ASN A 60 9.907 -6.775 -4.318 1.00 0.00 H new ATOM 0 HB3 ASN A 60 10.196 -5.093 -4.715 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.405 -4.462 -0.973 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.391 -4.256 -2.405 1.00 0.00 H new ATOM 973 N SER A 61 7.505 -7.314 -5.934 1.00 0.00 N ATOM 974 CA SER A 61 7.129 -7.894 -7.225 1.00 0.00 C ATOM 975 C SER A 61 5.968 -7.129 -7.881 1.00 0.00 C ATOM 976 O SER A 61 5.819 -7.118 -9.102 1.00 0.00 O ATOM 977 CB SER A 61 6.762 -9.357 -7.033 1.00 0.00 C ATOM 978 OG SER A 61 7.798 -10.042 -6.351 1.00 0.00 O ATOM 0 H SER A 61 7.504 -7.984 -5.165 1.00 0.00 H new ATOM 0 HA SER A 61 7.984 -7.815 -7.897 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.833 -9.434 -6.468 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.585 -9.824 -8.002 1.00 0.00 H new ATOM 0 HG SER A 61 7.547 -10.982 -6.233 1.00 0.00 H new ATOM 984 N LEU A 62 5.148 -6.507 -7.068 1.00 0.00 N ATOM 985 CA LEU A 62 4.053 -5.708 -7.553 1.00 0.00 C ATOM 986 C LEU A 62 4.162 -4.284 -7.022 1.00 0.00 C ATOM 987 O LEU A 62 4.986 -3.997 -6.156 1.00 0.00 O ATOM 988 CB LEU A 62 2.674 -6.339 -7.211 1.00 0.00 C ATOM 989 CG LEU A 62 2.483 -7.021 -5.835 1.00 0.00 C ATOM 990 CD1 LEU A 62 3.137 -8.391 -5.799 1.00 0.00 C ATOM 991 CD2 LEU A 62 2.982 -6.146 -4.695 1.00 0.00 C ATOM 0 H LEU A 62 5.223 -6.542 -6.051 1.00 0.00 H new ATOM 0 HA LEU A 62 4.119 -5.676 -8.641 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.922 -5.554 -7.297 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.451 -7.079 -7.979 1.00 0.00 H new ATOM 0 HG LEU A 62 1.411 -7.159 -5.694 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.984 -8.842 -4.818 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.692 -9.027 -6.564 1.00 0.00 H new ATOM 0 HD13 LEU A 62 4.206 -8.289 -5.988 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.829 -6.662 -3.747 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.044 -5.942 -4.831 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.430 -5.206 -4.690 1.00 0.00 H new ATOM 1003 N ARG A 63 3.347 -3.391 -7.533 1.00 0.00 N ATOM 1004 CA ARG A 63 3.372 -2.015 -7.082 1.00 0.00 C ATOM 1005 C ARG A 63 1.989 -1.557 -6.688 1.00 0.00 C ATOM 1006 O ARG A 63 0.989 -2.164 -7.071 1.00 0.00 O ATOM 1007 CB ARG A 63 3.961 -1.069 -8.142 1.00 0.00 C ATOM 1008 CG ARG A 63 3.186 -1.009 -9.451 1.00 0.00 C ATOM 1009 CD ARG A 63 3.549 -2.161 -10.372 1.00 0.00 C ATOM 1010 NE ARG A 63 2.833 -2.087 -11.649 1.00 0.00 N ATOM 1011 CZ ARG A 63 3.062 -1.169 -12.593 1.00 0.00 C ATOM 1012 NH1 ARG A 63 4.002 -0.244 -12.418 1.00 0.00 N ATOM 1013 NH2 ARG A 63 2.365 -1.189 -13.717 1.00 0.00 N ATOM 0 H ARG A 63 2.659 -3.590 -8.260 1.00 0.00 H new ATOM 0 HA ARG A 63 4.023 -1.978 -6.208 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.014 -0.065 -7.722 1.00 0.00 H new ATOM 0 HB3 ARG A 63 4.984 -1.379 -8.356 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.116 -1.033 -9.242 1.00 0.00 H new ATOM 0 HG3 ARG A 63 3.392 -0.063 -9.953 1.00 0.00 H new ATOM 0 HD2 ARG A 63 4.623 -2.153 -10.557 1.00 0.00 H new ATOM 0 HD3 ARG A 63 3.317 -3.106 -9.880 1.00 0.00 H new ATOM 0 HE ARG A 63 2.110 -2.784 -11.830 1.00 0.00 H new ATOM 0 HH11 ARG A 63 4.553 -0.233 -11.560 1.00 0.00 H new ATOM 0 HH12 ARG A 63 4.172 0.454 -13.142 1.00 0.00 H new ATOM 0 HH21 ARG A 63 1.653 -1.905 -13.863 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.539 -0.489 -14.438 1.00 0.00 H new ATOM 1027 N PHE A 64 1.926 -0.471 -5.950 1.00 0.00 N ATOM 1028 CA PHE A 64 0.666 0.046 -5.464 1.00 0.00 C ATOM 1029 C PHE A 64 0.316 1.324 -6.198 1.00 0.00 C ATOM 1030 O PHE A 64 1.044 2.322 -6.130 1.00 0.00 O ATOM 1031 CB PHE A 64 0.731 0.296 -3.948 1.00 0.00 C ATOM 1032 CG PHE A 64 0.809 -0.963 -3.108 1.00 0.00 C ATOM 1033 CD1 PHE A 64 1.803 -1.908 -3.324 1.00 0.00 C ATOM 1034 CD2 PHE A 64 -0.107 -1.190 -2.095 1.00 0.00 C ATOM 1035 CE1 PHE A 64 1.881 -3.049 -2.551 1.00 0.00 C ATOM 1036 CE2 PHE A 64 -0.033 -2.334 -1.318 1.00 0.00 C ATOM 1037 CZ PHE A 64 0.961 -3.262 -1.547 1.00 0.00 C ATOM 0 H PHE A 64 2.741 0.076 -5.671 1.00 0.00 H new ATOM 0 HA PHE A 64 -0.112 -0.694 -5.652 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.600 0.917 -3.732 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -0.149 0.864 -3.648 1.00 0.00 H new ATOM 0 HD1 PHE A 64 2.527 -1.748 -4.109 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -0.888 -0.467 -1.909 1.00 0.00 H new ATOM 0 HE1 PHE A 64 2.661 -3.773 -2.733 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.755 -2.500 -0.532 1.00 0.00 H new ATOM 0 HZ PHE A 64 1.018 -4.154 -0.941 1.00 0.00 H new ATOM 1047 N LEU A 65 -0.782 1.290 -6.914 1.00 0.00 N ATOM 1048 CA LEU A 65 -1.226 2.425 -7.688 1.00 0.00 C ATOM 1049 C LEU A 65 -2.620 2.818 -7.287 1.00 0.00 C ATOM 1050 O LEU A 65 -3.515 1.983 -7.162 1.00 0.00 O ATOM 1051 CB LEU A 65 -1.209 2.112 -9.184 1.00 0.00 C ATOM 1052 CG LEU A 65 0.097 1.540 -9.751 1.00 0.00 C ATOM 1053 CD1 LEU A 65 -0.023 1.318 -11.249 1.00 0.00 C ATOM 1054 CD2 LEU A 65 1.264 2.460 -9.442 1.00 0.00 C ATOM 0 H LEU A 65 -1.393 0.476 -6.977 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.539 3.248 -7.490 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.010 1.403 -9.393 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.444 3.028 -9.726 1.00 0.00 H new ATOM 0 HG LEU A 65 0.283 0.578 -9.274 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.913 0.912 -11.633 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.832 0.616 -11.449 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.236 2.267 -11.742 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.180 2.036 -9.853 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.085 3.438 -9.889 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.366 2.568 -8.362 1.00 0.00 H new ATOM 1066 N PHE A 66 -2.813 4.076 -7.074 1.00 0.00 N ATOM 1067 CA PHE A 66 -4.117 4.591 -6.763 1.00 0.00 C ATOM 1068 C PHE A 66 -4.661 5.280 -7.972 1.00 0.00 C ATOM 1069 O PHE A 66 -4.242 6.379 -8.291 1.00 0.00 O ATOM 1070 CB PHE A 66 -4.075 5.557 -5.575 1.00 0.00 C ATOM 1071 CG PHE A 66 -5.374 6.282 -5.332 1.00 0.00 C ATOM 1072 CD1 PHE A 66 -6.595 5.627 -5.469 1.00 0.00 C ATOM 1073 CD2 PHE A 66 -5.373 7.617 -4.982 1.00 0.00 C ATOM 1074 CE1 PHE A 66 -7.776 6.294 -5.263 1.00 0.00 C ATOM 1075 CE2 PHE A 66 -6.559 8.294 -4.767 1.00 0.00 C ATOM 1076 CZ PHE A 66 -7.763 7.630 -4.909 1.00 0.00 C ATOM 0 H PHE A 66 -2.077 4.781 -7.109 1.00 0.00 H new ATOM 0 HA PHE A 66 -4.764 3.761 -6.480 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.807 5.001 -4.677 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.287 6.291 -5.743 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -6.613 4.582 -5.741 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.434 8.139 -4.875 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -8.716 5.775 -5.377 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.545 9.338 -4.489 1.00 0.00 H new ATOM 0 HZ PHE A 66 -8.692 8.155 -4.744 1.00 0.00 H new ATOM 1086 N GLU A 67 -5.557 4.602 -8.680 1.00 0.00 N ATOM 1087 CA GLU A 67 -6.198 5.127 -9.894 1.00 0.00 C ATOM 1088 C GLU A 67 -5.160 5.688 -10.896 1.00 0.00 C ATOM 1089 O GLU A 67 -5.452 6.582 -11.694 1.00 0.00 O ATOM 1090 CB GLU A 67 -7.266 6.190 -9.536 1.00 0.00 C ATOM 1091 CG GLU A 67 -6.711 7.534 -9.089 1.00 0.00 C ATOM 1092 CD GLU A 67 -7.773 8.593 -8.968 1.00 0.00 C ATOM 1093 OE1 GLU A 67 -8.311 9.026 -10.009 1.00 0.00 O ATOM 1094 OE2 GLU A 67 -8.075 9.006 -7.846 1.00 0.00 O ATOM 0 H GLU A 67 -5.866 3.663 -8.430 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.700 4.295 -10.387 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.905 6.348 -10.405 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.900 5.794 -8.743 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.213 7.414 -8.127 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.955 7.864 -9.801 1.00 0.00 H new ATOM 1101 N GLY A 68 -3.955 5.121 -10.877 1.00 0.00 N ATOM 1102 CA GLY A 68 -2.900 5.578 -11.762 1.00 0.00 C ATOM 1103 C GLY A 68 -1.815 6.377 -11.049 1.00 0.00 C ATOM 1104 O GLY A 68 -0.824 6.777 -11.658 1.00 0.00 O ATOM 0 H GLY A 68 -3.692 4.351 -10.262 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -2.445 4.715 -12.249 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -3.337 6.194 -12.548 1.00 0.00 H new ATOM 1108 N GLN A 69 -1.991 6.609 -9.758 1.00 0.00 N ATOM 1109 CA GLN A 69 -1.001 7.322 -8.962 1.00 0.00 C ATOM 1110 C GLN A 69 0.056 6.352 -8.491 1.00 0.00 C ATOM 1111 O GLN A 69 -0.263 5.270 -8.014 1.00 0.00 O ATOM 1112 CB GLN A 69 -1.661 7.981 -7.749 1.00 0.00 C ATOM 1113 CG GLN A 69 -2.600 9.127 -8.087 1.00 0.00 C ATOM 1114 CD GLN A 69 -1.876 10.378 -8.561 1.00 0.00 C ATOM 1115 OE1 GLN A 69 -2.386 11.125 -9.389 1.00 0.00 O ATOM 1116 NE2 GLN A 69 -0.698 10.631 -8.022 1.00 0.00 N ATOM 0 H GLN A 69 -2.815 6.312 -9.235 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.547 8.097 -9.579 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.217 7.223 -7.198 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -0.881 8.351 -7.084 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -3.295 8.802 -8.862 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -3.195 9.371 -7.207 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -0.302 9.988 -7.336 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -0.183 11.469 -8.292 1.00 0.00 H new ATOM 1125 N ARG A 70 1.307 6.718 -8.633 1.00 0.00 N ATOM 1126 CA ARG A 70 2.398 5.875 -8.208 1.00 0.00 C ATOM 1127 C ARG A 70 2.660 6.023 -6.718 1.00 0.00 C ATOM 1128 O ARG A 70 2.957 7.110 -6.227 1.00 0.00 O ATOM 1129 CB ARG A 70 3.661 6.231 -8.990 1.00 0.00 C ATOM 1130 CG ARG A 70 4.909 5.478 -8.548 1.00 0.00 C ATOM 1131 CD ARG A 70 4.798 3.987 -8.831 1.00 0.00 C ATOM 1132 NE ARG A 70 4.572 3.718 -10.253 1.00 0.00 N ATOM 1133 CZ ARG A 70 5.463 3.147 -11.069 1.00 0.00 C ATOM 1134 NH1 ARG A 70 6.661 2.796 -10.617 1.00 0.00 N ATOM 1135 NH2 ARG A 70 5.154 2.941 -12.341 1.00 0.00 N ATOM 0 H ARG A 70 1.597 7.605 -9.045 1.00 0.00 H new ATOM 0 HA ARG A 70 2.123 4.839 -8.405 1.00 0.00 H new ATOM 0 HB2 ARG A 70 3.487 6.032 -10.047 1.00 0.00 H new ATOM 0 HB3 ARG A 70 3.844 7.301 -8.893 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.780 5.882 -9.064 1.00 0.00 H new ATOM 0 HG3 ARG A 70 5.070 5.635 -7.481 1.00 0.00 H new ATOM 0 HD2 ARG A 70 5.711 3.487 -8.507 1.00 0.00 H new ATOM 0 HD3 ARG A 70 3.979 3.566 -8.247 1.00 0.00 H new ATOM 0 HE ARG A 70 3.671 3.985 -10.648 1.00 0.00 H new ATOM 0 HH11 ARG A 70 6.906 2.962 -9.641 1.00 0.00 H new ATOM 0 HH12 ARG A 70 7.336 2.361 -11.246 1.00 0.00 H new ATOM 0 HH21 ARG A 70 4.238 3.218 -12.695 1.00 0.00 H new ATOM 0 HH22 ARG A 70 5.832 2.505 -12.966 1.00 0.00 H new ATOM 1149 N ILE A 71 2.529 4.938 -5.993 1.00 0.00 N ATOM 1150 CA ILE A 71 2.847 4.928 -4.584 1.00 0.00 C ATOM 1151 C ILE A 71 4.019 3.978 -4.341 1.00 0.00 C ATOM 1152 O ILE A 71 3.836 2.763 -4.180 1.00 0.00 O ATOM 1153 CB ILE A 71 1.640 4.505 -3.682 1.00 0.00 C ATOM 1154 CG1 ILE A 71 0.493 5.536 -3.740 1.00 0.00 C ATOM 1155 CG2 ILE A 71 2.096 4.318 -2.237 1.00 0.00 C ATOM 1156 CD1 ILE A 71 -0.344 5.482 -4.996 1.00 0.00 C ATOM 0 H ILE A 71 2.202 4.044 -6.359 1.00 0.00 H new ATOM 0 HA ILE A 71 3.106 5.950 -4.307 1.00 0.00 H new ATOM 0 HB ILE A 71 1.261 3.559 -4.068 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.158 5.383 -2.879 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.917 6.536 -3.645 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.245 4.024 -1.622 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.860 3.542 -2.194 1.00 0.00 H new ATOM 0 HG23 ILE A 71 2.509 5.254 -1.862 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.124 6.242 -4.947 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.289 5.668 -5.864 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.802 4.497 -5.086 1.00 0.00 H new ATOM 1168 N ALA A 72 5.226 4.508 -4.332 1.00 0.00 N ATOM 1169 CA ALA A 72 6.393 3.677 -4.122 1.00 0.00 C ATOM 1170 C ALA A 72 6.995 3.925 -2.755 1.00 0.00 C ATOM 1171 O ALA A 72 8.009 4.616 -2.619 1.00 0.00 O ATOM 1172 CB ALA A 72 7.424 3.907 -5.218 1.00 0.00 C ATOM 0 H ALA A 72 5.423 5.500 -4.466 1.00 0.00 H new ATOM 0 HA ALA A 72 6.078 2.635 -4.166 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.292 3.272 -5.040 1.00 0.00 H new ATOM 0 HB2 ALA A 72 6.987 3.661 -6.186 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.732 4.953 -5.214 1.00 0.00 H new ATOM 1178 N ASP A 73 6.346 3.355 -1.733 1.00 0.00 N ATOM 1179 CA ASP A 73 6.791 3.441 -0.334 1.00 0.00 C ATOM 1180 C ASP A 73 7.187 4.861 0.051 1.00 0.00 C ATOM 1181 O ASP A 73 8.185 5.078 0.735 1.00 0.00 O ATOM 1182 CB ASP A 73 7.955 2.471 -0.087 1.00 0.00 C ATOM 1183 CG ASP A 73 7.563 1.044 -0.384 1.00 0.00 C ATOM 1184 OD1 ASP A 73 6.421 0.666 -0.047 1.00 0.00 O ATOM 1185 OD2 ASP A 73 8.370 0.308 -0.992 1.00 0.00 O ATOM 0 H ASP A 73 5.489 2.816 -1.853 1.00 0.00 H new ATOM 0 HA ASP A 73 5.950 3.157 0.298 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.803 2.753 -0.711 1.00 0.00 H new ATOM 0 HB3 ASP A 73 8.282 2.551 0.950 1.00 0.00 H new ATOM 1190 N ASN A 74 6.380 5.836 -0.354 1.00 0.00 N ATOM 1191 CA ASN A 74 6.713 7.227 -0.111 1.00 0.00 C ATOM 1192 C ASN A 74 5.472 8.104 -0.049 1.00 0.00 C ATOM 1193 O ASN A 74 5.376 9.011 0.777 1.00 0.00 O ATOM 1194 CB ASN A 74 7.657 7.745 -1.206 1.00 0.00 C ATOM 1195 CG ASN A 74 7.025 7.785 -2.590 1.00 0.00 C ATOM 1196 OD1 ASN A 74 6.141 6.981 -2.927 1.00 0.00 O ATOM 1197 ND2 ASN A 74 7.462 8.714 -3.396 1.00 0.00 N ATOM 0 H ASN A 74 5.500 5.687 -0.847 1.00 0.00 H new ATOM 0 HA ASN A 74 7.210 7.279 0.858 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.992 8.748 -0.940 1.00 0.00 H new ATOM 0 HB3 ASN A 74 8.543 7.111 -1.239 1.00 0.00 H new ATOM 0 HD21 ASN A 74 7.076 8.796 -4.336 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.190 9.358 -3.085 1.00 0.00 H new ATOM 1204 N HIS A 75 4.520 7.832 -0.926 1.00 0.00 N ATOM 1205 CA HIS A 75 3.318 8.631 -1.033 1.00 0.00 C ATOM 1206 C HIS A 75 2.469 8.579 0.227 1.00 0.00 C ATOM 1207 O HIS A 75 2.497 7.604 0.986 1.00 0.00 O ATOM 1208 CB HIS A 75 2.500 8.214 -2.249 1.00 0.00 C ATOM 1209 CG HIS A 75 2.325 9.314 -3.248 1.00 0.00 C ATOM 1210 ND1 HIS A 75 2.828 9.260 -4.527 1.00 0.00 N ATOM 1211 CD2 HIS A 75 1.692 10.502 -3.150 1.00 0.00 C ATOM 1212 CE1 HIS A 75 2.514 10.361 -5.168 1.00 0.00 C ATOM 1213 NE2 HIS A 75 1.822 11.139 -4.360 1.00 0.00 N ATOM 0 H HIS A 75 4.562 7.052 -1.581 1.00 0.00 H new ATOM 0 HA HIS A 75 3.637 9.666 -1.159 1.00 0.00 H new ATOM 0 HB2 HIS A 75 2.986 7.367 -2.733 1.00 0.00 H new ATOM 0 HB3 HIS A 75 1.519 7.872 -1.919 1.00 0.00 H new ATOM 0 HD1 HIS A 75 3.363 8.484 -4.917 1.00 0.00 H new ATOM 0 HD2 HIS A 75 1.178 10.882 -2.280 1.00 0.00 H new ATOM 0 HE1 HIS A 75 2.779 10.592 -6.189 1.00 0.00 H new ATOM 1222 N THR A 76 1.718 9.639 0.445 1.00 0.00 N ATOM 1223 CA THR A 76 0.859 9.768 1.601 1.00 0.00 C ATOM 1224 C THR A 76 -0.609 9.788 1.173 1.00 0.00 C ATOM 1225 O THR A 76 -0.926 10.178 0.042 1.00 0.00 O ATOM 1226 CB THR A 76 1.175 11.067 2.373 1.00 0.00 C ATOM 1227 OG1 THR A 76 1.026 12.195 1.507 1.00 0.00 O ATOM 1228 CG2 THR A 76 2.588 11.044 2.926 1.00 0.00 C ATOM 0 H THR A 76 1.688 10.443 -0.183 1.00 0.00 H new ATOM 0 HA THR A 76 1.040 8.911 2.250 1.00 0.00 H new ATOM 0 HB THR A 76 0.476 11.143 3.206 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.742 12.840 1.684 1.00 0.00 H new ATOM 0 HG21 THR A 76 2.783 11.971 3.465 1.00 0.00 H new ATOM 0 HG22 THR A 76 2.699 10.199 3.606 1.00 0.00 H new ATOM 0 HG23 THR A 76 3.298 10.945 2.105 1.00 0.00 H new ATOM 1236 N PRO A 77 -1.526 9.384 2.073 1.00 0.00 N ATOM 1237 CA PRO A 77 -2.970 9.358 1.785 1.00 0.00 C ATOM 1238 C PRO A 77 -3.527 10.755 1.511 1.00 0.00 C ATOM 1239 O PRO A 77 -4.483 10.932 0.751 1.00 0.00 O ATOM 1240 CB PRO A 77 -3.585 8.779 3.077 1.00 0.00 C ATOM 1241 CG PRO A 77 -2.555 8.999 4.130 1.00 0.00 C ATOM 1242 CD PRO A 77 -1.229 8.914 3.438 1.00 0.00 C ATOM 0 HA PRO A 77 -3.198 8.776 0.892 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.519 9.281 3.328 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.813 7.719 2.964 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -2.685 9.971 4.605 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -2.634 8.247 4.915 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.481 9.540 3.925 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -0.841 7.895 3.437 1.00 0.00 H new ATOM 1250 N LYS A 78 -2.888 11.750 2.094 1.00 0.00 N ATOM 1251 CA LYS A 78 -3.335 13.127 1.985 1.00 0.00 C ATOM 1252 C LYS A 78 -2.938 13.727 0.646 1.00 0.00 C ATOM 1253 O LYS A 78 -3.684 14.500 0.049 1.00 0.00 O ATOM 1254 CB LYS A 78 -2.739 13.967 3.119 1.00 0.00 C ATOM 1255 CG LYS A 78 -1.215 13.967 3.146 1.00 0.00 C ATOM 1256 CD LYS A 78 -0.659 15.359 3.395 1.00 0.00 C ATOM 1257 CE LYS A 78 0.860 15.358 3.357 1.00 0.00 C ATOM 1258 NZ LYS A 78 1.424 16.725 3.511 1.00 0.00 N ATOM 0 H LYS A 78 -2.046 11.628 2.656 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.422 13.133 2.059 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -3.092 14.994 3.023 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.110 13.590 4.072 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -0.865 13.290 3.925 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -0.834 13.587 2.198 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -1.044 16.047 2.643 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.001 15.722 4.364 1.00 0.00 H new ATOM 0 HE2 LYS A 78 1.242 14.717 4.152 1.00 0.00 H new ATOM 0 HE3 LYS A 78 1.198 14.931 2.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 2.462 16.678 3.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 1.081 17.331 2.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 1.123 17.124 4.423 1.00 0.00 H new ATOM 1272 N GLU A 79 -1.766 13.348 0.164 1.00 0.00 N ATOM 1273 CA GLU A 79 -1.238 13.886 -1.070 1.00 0.00 C ATOM 1274 C GLU A 79 -1.965 13.291 -2.257 1.00 0.00 C ATOM 1275 O GLU A 79 -2.099 13.910 -3.308 1.00 0.00 O ATOM 1276 CB GLU A 79 0.249 13.579 -1.158 1.00 0.00 C ATOM 1277 CG GLU A 79 0.937 14.203 -2.350 1.00 0.00 C ATOM 1278 CD GLU A 79 0.937 15.711 -2.291 1.00 0.00 C ATOM 1279 OE1 GLU A 79 -0.012 16.333 -2.801 1.00 0.00 O ATOM 1280 OE2 GLU A 79 1.886 16.280 -1.732 1.00 0.00 O ATOM 0 H GLU A 79 -1.160 12.663 0.616 1.00 0.00 H new ATOM 0 HA GLU A 79 -1.386 14.966 -1.083 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.736 13.928 -0.247 1.00 0.00 H new ATOM 0 HB3 GLU A 79 0.384 12.498 -1.198 1.00 0.00 H new ATOM 0 HG2 GLU A 79 1.965 13.844 -2.401 1.00 0.00 H new ATOM 0 HG3 GLU A 79 0.440 13.878 -3.264 1.00 0.00 H new ATOM 1287 N LEU A 80 -2.445 12.081 -2.083 1.00 0.00 N ATOM 1288 CA LEU A 80 -3.167 11.396 -3.128 1.00 0.00 C ATOM 1289 C LEU A 80 -4.581 11.929 -3.241 1.00 0.00 C ATOM 1290 O LEU A 80 -5.281 11.658 -4.212 1.00 0.00 O ATOM 1291 CB LEU A 80 -3.196 9.914 -2.836 1.00 0.00 C ATOM 1292 CG LEU A 80 -1.841 9.228 -2.803 1.00 0.00 C ATOM 1293 CD1 LEU A 80 -1.957 7.902 -2.098 1.00 0.00 C ATOM 1294 CD2 LEU A 80 -1.300 9.044 -4.215 1.00 0.00 C ATOM 0 H LEU A 80 -2.347 11.548 -1.219 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.658 11.570 -4.076 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.685 9.760 -1.874 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.813 9.425 -3.589 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.140 9.856 -2.254 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.982 7.414 -2.077 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.305 8.062 -1.077 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.668 7.269 -2.629 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.329 8.551 -4.171 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.992 8.431 -4.793 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.191 10.018 -4.693 1.00 0.00 H new ATOM 1306 N GLY A 81 -5.013 12.698 -2.247 1.00 0.00 N ATOM 1307 CA GLY A 81 -6.338 13.256 -2.302 1.00 0.00 C ATOM 1308 C GLY A 81 -7.408 12.256 -1.929 1.00 0.00 C ATOM 1309 O GLY A 81 -8.580 12.447 -2.250 1.00 0.00 O ATOM 0 H GLY A 81 -4.472 12.939 -1.417 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -6.396 14.112 -1.629 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -6.529 13.628 -3.308 1.00 0.00 H new ATOM 1313 N MET A 82 -7.030 11.182 -1.245 1.00 0.00 N ATOM 1314 CA MET A 82 -7.984 10.132 -0.928 1.00 0.00 C ATOM 1315 C MET A 82 -8.323 10.137 0.565 1.00 0.00 C ATOM 1316 O MET A 82 -7.800 10.967 1.327 1.00 0.00 O ATOM 1317 CB MET A 82 -7.474 8.766 -1.406 1.00 0.00 C ATOM 1318 CG MET A 82 -6.065 8.400 -0.963 1.00 0.00 C ATOM 1319 SD MET A 82 -5.988 7.769 0.712 1.00 0.00 S ATOM 1320 CE MET A 82 -4.732 6.510 0.517 1.00 0.00 C ATOM 0 H MET A 82 -6.083 11.018 -0.904 1.00 0.00 H new ATOM 0 HA MET A 82 -8.911 10.331 -1.466 1.00 0.00 H new ATOM 0 HB2 MET A 82 -8.159 7.997 -1.049 1.00 0.00 H new ATOM 0 HB3 MET A 82 -7.510 8.745 -2.495 1.00 0.00 H new ATOM 0 HG2 MET A 82 -5.661 7.651 -1.644 1.00 0.00 H new ATOM 0 HG3 MET A 82 -5.427 9.280 -1.042 1.00 0.00 H new ATOM 0 HE1 MET A 82 -4.234 6.342 1.472 1.00 0.00 H new ATOM 0 HE2 MET A 82 -5.196 5.582 0.182 1.00 0.00 H new ATOM 0 HE3 MET A 82 -4.000 6.837 -0.222 1.00 0.00 H new ATOM 1330 N GLU A 83 -9.198 9.229 0.994 1.00 0.00 N ATOM 1331 CA GLU A 83 -9.657 9.215 2.380 1.00 0.00 C ATOM 1332 C GLU A 83 -10.061 7.804 2.835 1.00 0.00 C ATOM 1333 O GLU A 83 -9.650 6.814 2.250 1.00 0.00 O ATOM 1334 CB GLU A 83 -10.819 10.198 2.541 1.00 0.00 C ATOM 1335 CG GLU A 83 -11.952 9.976 1.557 1.00 0.00 C ATOM 1336 CD GLU A 83 -13.012 11.032 1.668 1.00 0.00 C ATOM 1337 OE1 GLU A 83 -12.754 12.182 1.250 1.00 0.00 O ATOM 1338 OE2 GLU A 83 -14.111 10.727 2.171 1.00 0.00 O ATOM 0 H GLU A 83 -9.600 8.499 0.406 1.00 0.00 H new ATOM 0 HA GLU A 83 -8.831 9.526 3.020 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.211 10.119 3.555 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -10.442 11.214 2.423 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -11.554 9.968 0.542 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -12.397 8.997 1.732 1.00 0.00 H new ATOM 1345 N GLU A 84 -10.856 7.720 3.907 1.00 0.00 N ATOM 1346 CA GLU A 84 -11.271 6.438 4.461 1.00 0.00 C ATOM 1347 C GLU A 84 -12.146 5.653 3.487 1.00 0.00 C ATOM 1348 O GLU A 84 -12.822 6.229 2.626 1.00 0.00 O ATOM 1349 CB GLU A 84 -12.001 6.636 5.795 1.00 0.00 C ATOM 1350 CG GLU A 84 -13.306 7.403 5.688 1.00 0.00 C ATOM 1351 CD GLU A 84 -13.979 7.570 7.028 1.00 0.00 C ATOM 1352 OE1 GLU A 84 -14.632 6.609 7.494 1.00 0.00 O ATOM 1353 OE2 GLU A 84 -13.854 8.651 7.627 1.00 0.00 O ATOM 0 H GLU A 84 -11.223 8.531 4.406 1.00 0.00 H new ATOM 0 HA GLU A 84 -10.368 5.853 4.636 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.203 5.659 6.233 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.339 7.163 6.483 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.114 8.385 5.255 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.978 6.880 5.008 1.00 0.00 H new ATOM 1360 N GLU A 85 -12.123 4.326 3.638 1.00 0.00 N ATOM 1361 CA GLU A 85 -12.875 3.396 2.807 1.00 0.00 C ATOM 1362 C GLU A 85 -12.406 3.476 1.347 1.00 0.00 C ATOM 1363 O GLU A 85 -13.146 3.148 0.415 1.00 0.00 O ATOM 1364 CB GLU A 85 -14.385 3.661 2.930 1.00 0.00 C ATOM 1365 CG GLU A 85 -15.260 2.475 2.546 1.00 0.00 C ATOM 1366 CD GLU A 85 -15.060 1.287 3.466 1.00 0.00 C ATOM 1367 OE1 GLU A 85 -15.716 1.236 4.526 1.00 0.00 O ATOM 1368 OE2 GLU A 85 -14.251 0.393 3.132 1.00 0.00 O ATOM 0 H GLU A 85 -11.568 3.864 4.358 1.00 0.00 H new ATOM 0 HA GLU A 85 -12.687 2.382 3.160 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -14.610 3.947 3.958 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -14.646 4.510 2.299 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -16.307 2.777 2.569 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -15.037 2.179 1.521 1.00 0.00 H new ATOM 1375 N ASP A 86 -11.159 3.893 1.153 1.00 0.00 N ATOM 1376 CA ASP A 86 -10.599 4.019 -0.180 1.00 0.00 C ATOM 1377 C ASP A 86 -10.053 2.697 -0.667 1.00 0.00 C ATOM 1378 O ASP A 86 -9.802 1.781 0.123 1.00 0.00 O ATOM 1379 CB ASP A 86 -9.494 5.055 -0.194 1.00 0.00 C ATOM 1380 CG ASP A 86 -9.790 6.184 -1.155 1.00 0.00 C ATOM 1381 OD1 ASP A 86 -9.541 6.018 -2.366 1.00 0.00 O ATOM 1382 OD2 ASP A 86 -10.299 7.241 -0.706 1.00 0.00 O ATOM 0 H ASP A 86 -10.520 4.149 1.905 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.401 4.335 -0.847 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -9.362 5.458 0.810 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -8.554 4.579 -0.472 1.00 0.00 H new ATOM 1387 N VAL A 87 -9.857 2.588 -1.968 1.00 0.00 N ATOM 1388 CA VAL A 87 -9.339 1.379 -2.549 1.00 0.00 C ATOM 1389 C VAL A 87 -8.101 1.668 -3.390 1.00 0.00 C ATOM 1390 O VAL A 87 -8.086 2.574 -4.231 1.00 0.00 O ATOM 1391 CB VAL A 87 -10.410 0.629 -3.398 1.00 0.00 C ATOM 1392 CG1 VAL A 87 -10.923 1.496 -4.541 1.00 0.00 C ATOM 1393 CG2 VAL A 87 -9.861 -0.693 -3.926 1.00 0.00 C ATOM 0 H VAL A 87 -10.052 3.331 -2.639 1.00 0.00 H new ATOM 0 HA VAL A 87 -9.059 0.724 -1.724 1.00 0.00 H new ATOM 0 HB VAL A 87 -11.253 0.411 -2.743 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -11.668 0.942 -5.112 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -11.376 2.401 -4.136 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -10.093 1.766 -5.194 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -10.628 -1.196 -4.515 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -8.990 -0.501 -4.553 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.572 -1.328 -3.088 1.00 0.00 H new ATOM 1403 N ILE A 88 -7.059 0.913 -3.140 1.00 0.00 N ATOM 1404 CA ILE A 88 -5.820 1.038 -3.874 1.00 0.00 C ATOM 1405 C ILE A 88 -5.643 -0.204 -4.727 1.00 0.00 C ATOM 1406 O ILE A 88 -6.089 -1.296 -4.352 1.00 0.00 O ATOM 1407 CB ILE A 88 -4.596 1.209 -2.937 1.00 0.00 C ATOM 1408 CG1 ILE A 88 -4.851 2.323 -1.903 1.00 0.00 C ATOM 1409 CG2 ILE A 88 -3.335 1.505 -3.743 1.00 0.00 C ATOM 1410 CD1 ILE A 88 -5.044 3.697 -2.506 1.00 0.00 C ATOM 0 H ILE A 88 -7.045 0.191 -2.419 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.875 1.933 -4.493 1.00 0.00 H new ATOM 0 HB ILE A 88 -4.447 0.272 -2.401 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.736 2.067 -1.320 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -4.011 2.358 -1.209 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.489 1.621 -3.066 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -3.140 0.681 -4.429 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.474 2.425 -4.311 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.218 4.422 -1.711 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -4.151 3.978 -3.064 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.902 3.682 -3.178 1.00 0.00 H new ATOM 1422 N GLU A 89 -5.005 -0.058 -5.860 1.00 0.00 N ATOM 1423 CA GLU A 89 -4.864 -1.149 -6.786 1.00 0.00 C ATOM 1424 C GLU A 89 -3.414 -1.599 -6.858 1.00 0.00 C ATOM 1425 O GLU A 89 -2.507 -0.792 -7.017 1.00 0.00 O ATOM 1426 CB GLU A 89 -5.359 -0.717 -8.157 1.00 0.00 C ATOM 1427 CG GLU A 89 -6.600 0.161 -8.095 1.00 0.00 C ATOM 1428 CD GLU A 89 -7.221 0.389 -9.449 1.00 0.00 C ATOM 1429 OE1 GLU A 89 -6.694 1.213 -10.219 1.00 0.00 O ATOM 1430 OE2 GLU A 89 -8.249 -0.259 -9.751 1.00 0.00 O ATOM 0 H GLU A 89 -4.572 0.814 -6.164 1.00 0.00 H new ATOM 0 HA GLU A 89 -5.463 -1.992 -6.441 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -4.564 -0.176 -8.670 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -5.578 -1.603 -8.753 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.335 -0.302 -7.436 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.338 1.123 -7.654 1.00 0.00 H new ATOM 1437 N VAL A 90 -3.192 -2.883 -6.733 1.00 0.00 N ATOM 1438 CA VAL A 90 -1.852 -3.424 -6.771 1.00 0.00 C ATOM 1439 C VAL A 90 -1.638 -4.208 -8.049 1.00 0.00 C ATOM 1440 O VAL A 90 -2.269 -5.245 -8.278 1.00 0.00 O ATOM 1441 CB VAL A 90 -1.557 -4.316 -5.546 1.00 0.00 C ATOM 1442 CG1 VAL A 90 -0.162 -4.895 -5.627 1.00 0.00 C ATOM 1443 CG2 VAL A 90 -1.727 -3.527 -4.265 1.00 0.00 C ATOM 0 H VAL A 90 -3.926 -3.579 -6.603 1.00 0.00 H new ATOM 0 HA VAL A 90 -1.159 -2.583 -6.743 1.00 0.00 H new ATOM 0 HB VAL A 90 -2.270 -5.141 -5.545 1.00 0.00 H new ATOM 0 HG11 VAL A 90 0.024 -5.520 -4.754 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.070 -5.498 -6.531 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.567 -4.085 -5.655 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -1.515 -4.170 -3.411 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -1.037 -2.683 -4.263 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.751 -3.159 -4.197 1.00 0.00 H new ATOM 1453 N TYR A 91 -0.754 -3.712 -8.883 1.00 0.00 N ATOM 1454 CA TYR A 91 -0.483 -4.324 -10.166 1.00 0.00 C ATOM 1455 C TYR A 91 0.839 -5.049 -10.143 1.00 0.00 C ATOM 1456 O TYR A 91 1.803 -4.577 -9.543 1.00 0.00 O ATOM 1457 CB TYR A 91 -0.478 -3.266 -11.258 1.00 0.00 C ATOM 1458 CG TYR A 91 -1.812 -2.593 -11.454 1.00 0.00 C ATOM 1459 CD1 TYR A 91 -2.748 -3.114 -12.332 1.00 0.00 C ATOM 1460 CD2 TYR A 91 -2.136 -1.441 -10.758 1.00 0.00 C ATOM 1461 CE1 TYR A 91 -3.971 -2.507 -12.512 1.00 0.00 C ATOM 1462 CE2 TYR A 91 -3.356 -0.825 -10.928 1.00 0.00 C ATOM 1463 CZ TYR A 91 -4.273 -1.364 -11.808 1.00 0.00 C ATOM 1464 OH TYR A 91 -5.498 -0.758 -11.984 1.00 0.00 O ATOM 0 H TYR A 91 -0.203 -2.875 -8.693 1.00 0.00 H new ATOM 0 HA TYR A 91 -1.270 -5.049 -10.375 1.00 0.00 H new ATOM 0 HB2 TYR A 91 0.269 -2.510 -11.016 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -0.172 -3.727 -12.197 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -2.515 -4.012 -12.885 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -1.419 -1.018 -10.070 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -4.689 -2.926 -13.202 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -3.594 0.073 -10.377 1.00 0.00 H new ATOM 0 HH TYR A 91 -5.573 0.009 -11.379 1.00 0.00 H new ATOM 1474 N GLN A 92 0.896 -6.188 -10.802 1.00 0.00 N ATOM 1475 CA GLN A 92 2.099 -6.989 -10.827 1.00 0.00 C ATOM 1476 C GLN A 92 3.050 -6.476 -11.888 1.00 0.00 C ATOM 1477 O GLN A 92 2.709 -6.408 -13.075 1.00 0.00 O ATOM 1478 CB GLN A 92 1.750 -8.460 -11.078 1.00 0.00 C ATOM 1479 CG GLN A 92 2.729 -9.464 -10.464 1.00 0.00 C ATOM 1480 CD GLN A 92 4.096 -9.476 -11.125 1.00 0.00 C ATOM 1481 OE1 GLN A 92 4.230 -9.237 -12.327 1.00 0.00 O ATOM 1482 NE2 GLN A 92 5.116 -9.763 -10.343 1.00 0.00 N ATOM 0 H GLN A 92 0.117 -6.580 -11.330 1.00 0.00 H new ATOM 0 HA GLN A 92 2.593 -6.912 -9.858 1.00 0.00 H new ATOM 0 HB2 GLN A 92 0.754 -8.656 -10.681 1.00 0.00 H new ATOM 0 HB3 GLN A 92 1.704 -8.630 -12.154 1.00 0.00 H new ATOM 0 HG2 GLN A 92 2.851 -9.236 -9.405 1.00 0.00 H new ATOM 0 HG3 GLN A 92 2.297 -10.463 -10.528 1.00 0.00 H new ATOM 0 HE21 GLN A 92 4.962 -9.955 -9.353 1.00 0.00 H new ATOM 0 HE22 GLN A 92 6.060 -9.794 -10.727 1.00 0.00 H new ATOM 1491 N GLU A 93 4.231 -6.104 -11.453 1.00 0.00 N ATOM 1492 CA GLU A 93 5.280 -5.615 -12.314 1.00 0.00 C ATOM 1493 C GLU A 93 6.487 -5.315 -11.477 1.00 0.00 C ATOM 1494 O GLU A 93 6.444 -4.466 -10.582 1.00 0.00 O ATOM 1495 CB GLU A 93 4.856 -4.369 -13.101 1.00 0.00 C ATOM 1496 CG GLU A 93 5.954 -3.806 -13.997 1.00 0.00 C ATOM 1497 CD GLU A 93 5.528 -2.562 -14.746 1.00 0.00 C ATOM 1498 OE1 GLU A 93 4.775 -2.689 -15.731 1.00 0.00 O ATOM 1499 OE2 GLU A 93 5.950 -1.449 -14.354 1.00 0.00 O ATOM 0 H GLU A 93 4.494 -6.134 -10.468 1.00 0.00 H new ATOM 0 HA GLU A 93 5.507 -6.387 -13.049 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.989 -4.615 -13.715 1.00 0.00 H new ATOM 0 HB3 GLU A 93 4.541 -3.597 -12.399 1.00 0.00 H new ATOM 0 HG2 GLU A 93 6.829 -3.575 -13.389 1.00 0.00 H new ATOM 0 HG3 GLU A 93 6.257 -4.569 -14.714 1.00 0.00 H new