USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 610 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 86 THR OG1 : rot 180:sc= -2.22 USER MOD Set 1.2: A 89 GLN : amide:sc= -0.181 K(o=-2.4,f=-4.9!) USER MOD Set 2.1: A 67 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 68 GLN : amide:sc= -1.86! C(o=-1.9!,f=-3.7!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 97:sc= 0.0929 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 172:sc= 0.514 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= 0.399 K(o=0.4,f=-4.8!) USER MOD Single : A 52 SER OG : rot -140:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 165:sc= -0.054 (180deg=-0.246) USER MOD Single : A 62 SER OG : rot -60:sc= 0.642 USER MOD Single : A 63 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.242) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot -13:sc= -0.57! USER MOD Single : A 71 GLN : amide:sc= -0.039 X(o=-0.039,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.214 X(o=-0.21,f=-0.32) USER MOD Single : A 90 HIS : no HE2:sc= -0.998 K(o=-1,f=-3.6!) USER MOD Single : A 93 HIS : no HD1:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 97 THR OG1 : rot 38:sc= 0.241 USER MOD Single : A 99 HIS : no HD1:sc= -0.608 X(o=-0.61,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 380 N LYS A 31 7.091 -5.131 -10.873 1.00 0.00 N ATOM 381 CA LYS A 31 7.647 -4.425 -9.692 1.00 0.00 C ATOM 382 C LYS A 31 6.916 -3.091 -9.601 1.00 0.00 C ATOM 383 O LYS A 31 7.479 -2.039 -9.838 1.00 0.00 O ATOM 384 CB LYS A 31 9.132 -4.219 -9.999 1.00 0.00 C ATOM 385 CG LYS A 31 9.954 -5.303 -9.299 1.00 0.00 C ATOM 386 CD LYS A 31 10.457 -4.775 -7.954 1.00 0.00 C ATOM 387 CE LYS A 31 10.513 -5.921 -6.942 1.00 0.00 C ATOM 388 NZ LYS A 31 10.776 -5.264 -5.632 1.00 0.00 N ATOM 0 HA LYS A 31 7.530 -4.962 -8.751 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.300 -4.258 -11.075 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.450 -3.232 -9.662 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.345 -6.194 -9.147 1.00 0.00 H new ATOM 0 HG3 LYS A 31 10.797 -5.596 -9.925 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.446 -4.332 -8.072 1.00 0.00 H new ATOM 0 HD3 LYS A 31 9.797 -3.988 -7.591 1.00 0.00 H new ATOM 0 HE2 LYS A 31 9.576 -6.478 -6.924 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.301 -6.631 -7.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 10.828 -5.986 -4.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.677 -4.747 -5.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 10.006 -4.599 -5.417 1.00 0.00 H new ATOM 402 N ILE A 32 5.643 -3.138 -9.313 1.00 0.00 N ATOM 403 CA ILE A 32 4.842 -1.891 -9.265 1.00 0.00 C ATOM 404 C ILE A 32 5.430 -0.912 -8.240 1.00 0.00 C ATOM 405 O ILE A 32 5.520 -1.211 -7.065 1.00 0.00 O ATOM 406 CB ILE A 32 3.430 -2.339 -8.860 1.00 0.00 C ATOM 407 CG1 ILE A 32 2.677 -2.820 -10.104 1.00 0.00 C ATOM 408 CG2 ILE A 32 2.663 -1.169 -8.232 1.00 0.00 C ATOM 409 CD1 ILE A 32 2.781 -4.343 -10.211 1.00 0.00 C ATOM 0 H ILE A 32 5.125 -3.993 -9.109 1.00 0.00 H new ATOM 0 HA ILE A 32 4.838 -1.366 -10.220 1.00 0.00 H new ATOM 0 HB ILE A 32 3.509 -3.147 -8.133 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.631 -2.520 -10.047 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.094 -2.353 -10.997 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.663 -1.499 -7.949 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.194 -0.819 -7.347 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.586 -0.356 -8.953 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.244 -4.683 -11.097 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.829 -4.632 -10.289 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.343 -4.801 -9.324 1.00 0.00 H new ATOM 421 N ILE A 33 5.823 0.255 -8.677 1.00 0.00 N ATOM 422 CA ILE A 33 6.397 1.255 -7.726 1.00 0.00 C ATOM 423 C ILE A 33 5.396 2.390 -7.492 1.00 0.00 C ATOM 424 O ILE A 33 4.492 2.603 -8.278 1.00 0.00 O ATOM 425 CB ILE A 33 7.678 1.770 -8.392 1.00 0.00 C ATOM 426 CG1 ILE A 33 7.325 2.568 -9.661 1.00 0.00 C ATOM 427 CG2 ILE A 33 8.571 0.574 -8.747 1.00 0.00 C ATOM 428 CD1 ILE A 33 8.516 2.579 -10.619 1.00 0.00 C ATOM 0 H ILE A 33 5.772 0.560 -9.649 1.00 0.00 H new ATOM 0 HA ILE A 33 6.612 0.821 -6.750 1.00 0.00 H new ATOM 0 HB ILE A 33 8.211 2.429 -7.707 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.458 2.124 -10.150 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.053 3.589 -9.394 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.485 0.931 -9.222 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.823 0.026 -7.839 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.040 -0.086 -9.433 1.00 0.00 H new ATOM 0 HD11 ILE A 33 8.258 3.145 -11.514 1.00 0.00 H new ATOM 0 HD12 ILE A 33 9.372 3.044 -10.130 1.00 0.00 H new ATOM 0 HD13 ILE A 33 8.768 1.556 -10.897 1.00 0.00 H new ATOM 440 N LYS A 34 5.545 3.113 -6.414 1.00 0.00 N ATOM 441 CA LYS A 34 4.596 4.227 -6.124 1.00 0.00 C ATOM 442 C LYS A 34 5.117 5.543 -6.706 1.00 0.00 C ATOM 443 O LYS A 34 6.305 5.800 -6.719 1.00 0.00 O ATOM 444 CB LYS A 34 4.535 4.306 -4.597 1.00 0.00 C ATOM 445 CG LYS A 34 3.739 3.116 -4.052 1.00 0.00 C ATOM 446 CD LYS A 34 2.328 3.573 -3.666 1.00 0.00 C ATOM 447 CE LYS A 34 1.910 2.900 -2.357 1.00 0.00 C ATOM 448 NZ LYS A 34 1.294 3.987 -1.546 1.00 0.00 N ATOM 0 H LYS A 34 6.283 2.980 -5.722 1.00 0.00 H new ATOM 0 HA LYS A 34 3.615 4.054 -6.567 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.543 4.303 -4.182 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.067 5.241 -4.290 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.684 2.328 -4.803 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.245 2.694 -3.184 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.304 4.657 -3.553 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.623 3.319 -4.458 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.201 2.092 -2.537 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.768 2.464 -1.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.981 3.603 -0.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.994 4.739 -1.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.476 4.379 -2.055 1.00 0.00 H new ATOM 462 N VAL A 35 4.234 6.378 -7.185 1.00 0.00 N ATOM 463 CA VAL A 35 4.672 7.682 -7.764 1.00 0.00 C ATOM 464 C VAL A 35 3.817 8.816 -7.196 1.00 0.00 C ATOM 465 O VAL A 35 2.632 8.899 -7.454 1.00 0.00 O ATOM 466 CB VAL A 35 4.445 7.548 -9.272 1.00 0.00 C ATOM 467 CG1 VAL A 35 4.986 8.791 -9.981 1.00 0.00 C ATOM 468 CG2 VAL A 35 5.176 6.308 -9.794 1.00 0.00 C ATOM 0 H VAL A 35 3.227 6.214 -7.200 1.00 0.00 H new ATOM 0 HA VAL A 35 5.712 7.910 -7.529 1.00 0.00 H new ATOM 0 HB VAL A 35 3.377 7.450 -9.469 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.825 8.696 -11.055 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.466 9.675 -9.612 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.053 8.888 -9.781 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.013 6.215 -10.868 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.244 6.405 -9.596 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.793 5.421 -9.290 1.00 0.00 H new ATOM 478 N THR A 36 4.405 9.689 -6.422 1.00 0.00 N ATOM 479 CA THR A 36 3.621 10.815 -5.835 1.00 0.00 C ATOM 480 C THR A 36 3.814 12.086 -6.665 1.00 0.00 C ATOM 481 O THR A 36 4.899 12.631 -6.739 1.00 0.00 O ATOM 482 CB THR A 36 4.188 11.007 -4.427 1.00 0.00 C ATOM 483 OG1 THR A 36 4.483 9.737 -3.858 1.00 0.00 O ATOM 484 CG2 THR A 36 3.160 11.732 -3.556 1.00 0.00 C ATOM 0 H THR A 36 5.393 9.671 -6.171 1.00 0.00 H new ATOM 0 HA THR A 36 2.552 10.604 -5.819 1.00 0.00 H new ATOM 0 HB THR A 36 5.100 11.602 -4.480 1.00 0.00 H new ATOM 0 HG1 THR A 36 5.434 9.536 -3.983 1.00 0.00 H new ATOM 0 HG21 THR A 36 3.564 11.868 -2.553 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.935 12.705 -3.992 1.00 0.00 H new ATOM 0 HG23 THR A 36 2.247 11.139 -3.501 1.00 0.00 H new ATOM 492 N VAL A 37 2.770 12.563 -7.289 1.00 0.00 N ATOM 493 CA VAL A 37 2.895 13.801 -8.111 1.00 0.00 C ATOM 494 C VAL A 37 2.278 14.989 -7.371 1.00 0.00 C ATOM 495 O VAL A 37 1.145 14.937 -6.930 1.00 0.00 O ATOM 496 CB VAL A 37 2.119 13.517 -9.401 1.00 0.00 C ATOM 497 CG1 VAL A 37 2.257 14.711 -10.354 1.00 0.00 C ATOM 498 CG2 VAL A 37 2.679 12.258 -10.074 1.00 0.00 C ATOM 0 H VAL A 37 1.838 12.150 -7.265 1.00 0.00 H new ATOM 0 HA VAL A 37 3.936 14.051 -8.313 1.00 0.00 H new ATOM 0 HB VAL A 37 1.067 13.361 -9.162 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.705 14.509 -11.272 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.855 15.605 -9.878 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.309 14.868 -10.590 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.125 12.059 -10.991 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.732 12.410 -10.312 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.579 11.409 -9.398 1.00 0.00 H new ATOM 508 N LYS A 38 3.013 16.060 -7.237 1.00 0.00 N ATOM 509 CA LYS A 38 2.470 17.256 -6.532 1.00 0.00 C ATOM 510 C LYS A 38 1.837 18.207 -7.549 1.00 0.00 C ATOM 511 O LYS A 38 2.480 18.648 -8.481 1.00 0.00 O ATOM 512 CB LYS A 38 3.681 17.908 -5.863 1.00 0.00 C ATOM 513 CG LYS A 38 4.319 16.920 -4.884 1.00 0.00 C ATOM 514 CD LYS A 38 4.912 17.683 -3.698 1.00 0.00 C ATOM 515 CE LYS A 38 3.874 17.771 -2.577 1.00 0.00 C ATOM 516 NZ LYS A 38 4.634 18.246 -1.387 1.00 0.00 N ATOM 0 H LYS A 38 3.967 16.158 -7.586 1.00 0.00 H new ATOM 0 HA LYS A 38 1.699 17.001 -5.805 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.408 18.209 -6.617 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.375 18.812 -5.336 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.573 16.206 -4.534 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.098 16.346 -5.386 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.809 17.178 -3.339 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.212 18.683 -4.009 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.072 18.462 -2.835 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.412 16.802 -2.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.990 18.332 -0.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.387 17.565 -1.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.057 19.174 -1.593 1.00 0.00 H new ATOM 530 N THR A 39 0.583 18.520 -7.380 1.00 0.00 N ATOM 531 CA THR A 39 -0.096 19.435 -8.342 1.00 0.00 C ATOM 532 C THR A 39 -0.650 20.661 -7.605 1.00 0.00 C ATOM 533 O THR A 39 -0.622 20.713 -6.391 1.00 0.00 O ATOM 534 CB THR A 39 -1.231 18.599 -8.945 1.00 0.00 C ATOM 535 OG1 THR A 39 -1.697 17.664 -7.982 1.00 0.00 O ATOM 536 CG2 THR A 39 -0.715 17.852 -10.177 1.00 0.00 C ATOM 0 H THR A 39 -0.003 18.182 -6.617 1.00 0.00 H new ATOM 0 HA THR A 39 0.581 19.812 -9.109 1.00 0.00 H new ATOM 0 HB THR A 39 -2.051 19.256 -9.236 1.00 0.00 H new ATOM 0 HG1 THR A 39 -2.503 17.221 -8.320 1.00 0.00 H new ATOM 0 HG21 THR A 39 -1.521 17.257 -10.606 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.361 18.570 -10.916 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.105 17.195 -9.887 1.00 0.00 H new ATOM 544 N PRO A 40 -1.135 21.615 -8.363 1.00 0.00 N ATOM 545 CA PRO A 40 -1.697 22.851 -7.759 1.00 0.00 C ATOM 546 C PRO A 40 -3.002 22.557 -7.009 1.00 0.00 C ATOM 547 O PRO A 40 -3.530 23.406 -6.317 1.00 0.00 O ATOM 548 CB PRO A 40 -1.947 23.757 -8.964 1.00 0.00 C ATOM 549 CG PRO A 40 -2.096 22.822 -10.120 1.00 0.00 C ATOM 550 CD PRO A 40 -1.212 21.639 -9.831 1.00 0.00 C ATOM 0 HA PRO A 40 -1.032 23.301 -7.022 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -2.844 24.361 -8.826 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -1.118 24.448 -9.118 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -3.134 22.511 -10.236 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.803 23.307 -11.051 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -1.636 20.716 -10.225 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -0.227 21.755 -10.282 1.00 0.00 H new ATOM 558 N LYS A 41 -3.523 21.364 -7.130 1.00 0.00 N ATOM 559 CA LYS A 41 -4.786 21.025 -6.414 1.00 0.00 C ATOM 560 C LYS A 41 -4.465 20.204 -5.164 1.00 0.00 C ATOM 561 O LYS A 41 -4.912 20.512 -4.078 1.00 0.00 O ATOM 562 CB LYS A 41 -5.601 20.198 -7.409 1.00 0.00 C ATOM 563 CG LYS A 41 -7.088 20.312 -7.070 1.00 0.00 C ATOM 564 CD LYS A 41 -7.718 21.430 -7.903 1.00 0.00 C ATOM 565 CE LYS A 41 -8.980 21.941 -7.203 1.00 0.00 C ATOM 566 NZ LYS A 41 -10.108 21.252 -7.891 1.00 0.00 N ATOM 0 H LYS A 41 -3.128 20.611 -7.693 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.332 21.910 -6.087 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.421 20.550 -8.425 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.288 19.155 -7.373 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.591 19.366 -7.272 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.215 20.520 -6.008 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.007 22.245 -8.034 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.966 21.061 -8.898 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.964 21.706 -6.139 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -9.068 23.024 -7.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -11.009 21.552 -7.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -10.102 21.500 -8.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -10.001 20.223 -7.787 1.00 0.00 H new ATOM 580 N GLU A 42 -3.688 19.163 -5.314 1.00 0.00 N ATOM 581 CA GLU A 42 -3.327 18.316 -4.138 1.00 0.00 C ATOM 582 C GLU A 42 -2.234 17.314 -4.526 1.00 0.00 C ATOM 583 O GLU A 42 -1.554 17.479 -5.520 1.00 0.00 O ATOM 584 CB GLU A 42 -4.618 17.583 -3.763 1.00 0.00 C ATOM 585 CG GLU A 42 -5.111 18.080 -2.402 1.00 0.00 C ATOM 586 CD GLU A 42 -6.429 17.388 -2.050 1.00 0.00 C ATOM 587 OE1 GLU A 42 -7.271 17.283 -2.926 1.00 0.00 O ATOM 588 OE2 GLU A 42 -6.574 16.975 -0.912 1.00 0.00 O ATOM 0 H GLU A 42 -3.287 18.862 -6.202 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.939 18.906 -3.308 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.380 17.755 -4.523 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.441 16.508 -3.727 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.364 17.873 -1.636 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.251 19.161 -2.427 1.00 0.00 H new ATOM 595 N LYS A 43 -2.064 16.277 -3.751 1.00 0.00 N ATOM 596 CA LYS A 43 -1.017 15.259 -4.075 1.00 0.00 C ATOM 597 C LYS A 43 -1.673 13.900 -4.341 1.00 0.00 C ATOM 598 O LYS A 43 -2.564 13.480 -3.629 1.00 0.00 O ATOM 599 CB LYS A 43 -0.111 15.196 -2.839 1.00 0.00 C ATOM 600 CG LYS A 43 -0.955 14.996 -1.575 1.00 0.00 C ATOM 601 CD LYS A 43 -0.179 14.142 -0.570 1.00 0.00 C ATOM 602 CE LYS A 43 0.530 15.051 0.437 1.00 0.00 C ATOM 603 NZ LYS A 43 -0.413 15.166 1.584 1.00 0.00 N ATOM 0 H LYS A 43 -2.604 16.089 -2.906 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.451 15.520 -4.969 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.602 14.378 -2.943 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.469 16.115 -2.757 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.201 15.962 -1.133 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.898 14.511 -1.828 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.859 13.467 -0.050 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.550 13.521 -1.091 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.483 14.625 0.751 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.745 16.028 0.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.004 15.775 2.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.309 15.581 1.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.594 14.222 1.981 1.00 0.00 H new ATOM 617 N GLU A 44 -1.245 13.211 -5.368 1.00 0.00 N ATOM 618 CA GLU A 44 -1.857 11.884 -5.679 1.00 0.00 C ATOM 619 C GLU A 44 -0.775 10.849 -6.004 1.00 0.00 C ATOM 620 O GLU A 44 0.152 11.115 -6.744 1.00 0.00 O ATOM 621 CB GLU A 44 -2.740 12.133 -6.902 1.00 0.00 C ATOM 622 CG GLU A 44 -4.046 11.348 -6.759 1.00 0.00 C ATOM 623 CD GLU A 44 -5.087 11.908 -7.729 1.00 0.00 C ATOM 624 OE1 GLU A 44 -4.774 12.020 -8.904 1.00 0.00 O ATOM 625 OE2 GLU A 44 -6.180 12.214 -7.283 1.00 0.00 O ATOM 0 H GLU A 44 -0.503 13.508 -6.001 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.422 11.490 -4.835 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.952 13.198 -6.999 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.218 11.828 -7.809 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.872 10.292 -6.965 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.414 11.416 -5.735 1.00 0.00 H new ATOM 632 N GLU A 45 -0.896 9.666 -5.460 1.00 0.00 N ATOM 633 CA GLU A 45 0.115 8.605 -5.741 1.00 0.00 C ATOM 634 C GLU A 45 -0.338 7.762 -6.938 1.00 0.00 C ATOM 635 O GLU A 45 -1.516 7.535 -7.135 1.00 0.00 O ATOM 636 CB GLU A 45 0.159 7.752 -4.472 1.00 0.00 C ATOM 637 CG GLU A 45 1.051 8.432 -3.428 1.00 0.00 C ATOM 638 CD GLU A 45 0.176 9.147 -2.395 1.00 0.00 C ATOM 639 OE1 GLU A 45 -0.530 10.064 -2.780 1.00 0.00 O ATOM 640 OE2 GLU A 45 0.230 8.766 -1.237 1.00 0.00 O ATOM 0 H GLU A 45 -1.652 9.389 -4.833 1.00 0.00 H new ATOM 0 HA GLU A 45 1.094 9.016 -5.987 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.848 7.620 -4.075 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.544 6.758 -4.702 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.682 7.692 -2.936 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.717 9.146 -3.913 1.00 0.00 H new ATOM 647 N PHE A 46 0.584 7.298 -7.740 1.00 0.00 N ATOM 648 CA PHE A 46 0.199 6.475 -8.922 1.00 0.00 C ATOM 649 C PHE A 46 0.992 5.167 -8.942 1.00 0.00 C ATOM 650 O PHE A 46 2.208 5.167 -8.925 1.00 0.00 O ATOM 651 CB PHE A 46 0.554 7.336 -10.135 1.00 0.00 C ATOM 652 CG PHE A 46 -0.678 8.060 -10.622 1.00 0.00 C ATOM 653 CD1 PHE A 46 -1.602 7.398 -11.438 1.00 0.00 C ATOM 654 CD2 PHE A 46 -0.895 9.394 -10.258 1.00 0.00 C ATOM 655 CE1 PHE A 46 -2.745 8.069 -11.890 1.00 0.00 C ATOM 656 CE2 PHE A 46 -2.037 10.066 -10.710 1.00 0.00 C ATOM 657 CZ PHE A 46 -2.962 9.403 -11.527 1.00 0.00 C ATOM 0 H PHE A 46 1.586 7.454 -7.627 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.856 6.203 -8.908 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.329 8.055 -9.869 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.959 6.711 -10.931 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -1.434 6.369 -11.719 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -0.182 9.905 -9.628 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -3.459 7.557 -12.518 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -2.205 11.095 -10.429 1.00 0.00 H new ATOM 0 HZ PHE A 46 -3.843 9.921 -11.877 1.00 0.00 H new ATOM 667 N ALA A 47 0.312 4.054 -8.993 1.00 0.00 N ATOM 668 CA ALA A 47 1.020 2.744 -9.030 1.00 0.00 C ATOM 669 C ALA A 47 1.259 2.350 -10.486 1.00 0.00 C ATOM 670 O ALA A 47 0.353 2.375 -11.297 1.00 0.00 O ATOM 671 CB ALA A 47 0.073 1.756 -8.350 1.00 0.00 C ATOM 0 H ALA A 47 -0.706 3.996 -9.011 1.00 0.00 H new ATOM 0 HA ALA A 47 1.989 2.770 -8.531 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.527 0.765 -8.339 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.117 2.079 -7.327 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.868 1.718 -8.899 1.00 0.00 H new ATOM 677 N VAL A 48 2.466 2.004 -10.834 1.00 0.00 N ATOM 678 CA VAL A 48 2.745 1.632 -12.247 1.00 0.00 C ATOM 679 C VAL A 48 3.764 0.493 -12.298 1.00 0.00 C ATOM 680 O VAL A 48 4.533 0.316 -11.375 1.00 0.00 O ATOM 681 CB VAL A 48 3.304 2.911 -12.877 1.00 0.00 C ATOM 682 CG1 VAL A 48 2.254 4.024 -12.780 1.00 0.00 C ATOM 683 CG2 VAL A 48 4.568 3.347 -12.129 1.00 0.00 C ATOM 0 H VAL A 48 3.267 1.963 -10.204 1.00 0.00 H new ATOM 0 HA VAL A 48 1.861 1.275 -12.776 1.00 0.00 H new ATOM 0 HB VAL A 48 3.548 2.721 -13.922 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.648 4.936 -13.228 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.352 3.720 -13.311 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.014 4.208 -11.733 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.962 4.257 -12.581 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.325 3.536 -11.083 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.317 2.558 -12.190 1.00 0.00 H new ATOM 693 N PRO A 49 3.736 -0.248 -13.374 1.00 0.00 N ATOM 694 CA PRO A 49 4.670 -1.387 -13.526 1.00 0.00 C ATOM 695 C PRO A 49 6.098 -0.882 -13.726 1.00 0.00 C ATOM 696 O PRO A 49 6.378 -0.136 -14.643 1.00 0.00 O ATOM 697 CB PRO A 49 4.161 -2.112 -14.769 1.00 0.00 C ATOM 698 CG PRO A 49 3.419 -1.071 -15.543 1.00 0.00 C ATOM 699 CD PRO A 49 2.853 -0.102 -14.538 1.00 0.00 C ATOM 0 HA PRO A 49 4.701 -2.036 -12.651 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.985 -2.525 -15.351 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.510 -2.945 -14.502 1.00 0.00 H new ATOM 0 HG2 PRO A 49 4.084 -0.561 -16.240 1.00 0.00 H new ATOM 0 HG3 PRO A 49 2.623 -1.523 -16.135 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.860 0.919 -14.919 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.820 -0.343 -14.289 1.00 0.00 H new ATOM 707 N GLU A 50 6.994 -1.289 -12.860 1.00 0.00 N ATOM 708 CA GLU A 50 8.431 -0.863 -12.950 1.00 0.00 C ATOM 709 C GLU A 50 8.824 -0.500 -14.390 1.00 0.00 C ATOM 710 O GLU A 50 9.407 0.536 -14.639 1.00 0.00 O ATOM 711 CB GLU A 50 9.217 -2.090 -12.464 1.00 0.00 C ATOM 712 CG GLU A 50 10.698 -1.970 -12.851 1.00 0.00 C ATOM 713 CD GLU A 50 11.028 -2.991 -13.943 1.00 0.00 C ATOM 714 OE1 GLU A 50 11.206 -4.150 -13.607 1.00 0.00 O ATOM 715 OE2 GLU A 50 11.096 -2.597 -15.095 1.00 0.00 O ATOM 0 H GLU A 50 6.788 -1.911 -12.078 1.00 0.00 H new ATOM 0 HA GLU A 50 8.631 0.030 -12.358 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.125 -2.183 -11.382 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.794 -2.996 -12.899 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.911 -0.962 -13.206 1.00 0.00 H new ATOM 0 HG3 GLU A 50 11.327 -2.140 -11.978 1.00 0.00 H new ATOM 722 N ASN A 51 8.507 -1.340 -15.336 1.00 0.00 N ATOM 723 CA ASN A 51 8.864 -1.029 -16.749 1.00 0.00 C ATOM 724 C ASN A 51 7.770 -0.170 -17.392 1.00 0.00 C ATOM 725 O ASN A 51 7.259 -0.486 -18.448 1.00 0.00 O ATOM 726 CB ASN A 51 8.968 -2.388 -17.447 1.00 0.00 C ATOM 727 CG ASN A 51 7.616 -3.104 -17.390 1.00 0.00 C ATOM 728 OD1 ASN A 51 7.139 -3.441 -16.325 1.00 0.00 O ATOM 729 ND2 ASN A 51 6.975 -3.350 -18.500 1.00 0.00 N ATOM 0 H ASN A 51 8.019 -2.224 -15.193 1.00 0.00 H new ATOM 0 HA ASN A 51 9.794 -0.466 -16.825 1.00 0.00 H new ATOM 0 HB2 ASN A 51 9.275 -2.252 -18.484 1.00 0.00 H new ATOM 0 HB3 ASN A 51 9.733 -2.997 -16.966 1.00 0.00 H new ATOM 0 HD21 ASN A 51 6.073 -3.825 -18.473 1.00 0.00 H new ATOM 0 HD22 ASN A 51 7.376 -3.067 -19.394 1.00 0.00 H new ATOM 736 N SER A 52 7.409 0.914 -16.758 1.00 0.00 N ATOM 737 CA SER A 52 6.350 1.797 -17.326 1.00 0.00 C ATOM 738 C SER A 52 6.965 3.106 -17.827 1.00 0.00 C ATOM 739 O SER A 52 7.422 3.923 -17.052 1.00 0.00 O ATOM 740 CB SER A 52 5.397 2.068 -16.163 1.00 0.00 C ATOM 741 OG SER A 52 4.387 2.976 -16.584 1.00 0.00 O ATOM 0 H SER A 52 7.803 1.226 -15.870 1.00 0.00 H new ATOM 0 HA SER A 52 5.842 1.338 -18.174 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.945 1.136 -15.823 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.946 2.483 -15.318 1.00 0.00 H new ATOM 0 HG SER A 52 4.201 3.615 -15.865 1.00 0.00 H new ATOM 747 N SER A 53 6.975 3.313 -19.117 1.00 0.00 N ATOM 748 CA SER A 53 7.557 4.575 -19.664 1.00 0.00 C ATOM 749 C SER A 53 6.733 5.770 -19.185 1.00 0.00 C ATOM 750 O SER A 53 5.526 5.689 -19.053 1.00 0.00 O ATOM 751 CB SER A 53 7.467 4.434 -21.183 1.00 0.00 C ATOM 752 OG SER A 53 8.348 3.405 -21.613 1.00 0.00 O ATOM 0 H SER A 53 6.607 2.666 -19.814 1.00 0.00 H new ATOM 0 HA SER A 53 8.584 4.737 -19.337 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.444 4.199 -21.478 1.00 0.00 H new ATOM 0 HB3 SER A 53 7.729 5.377 -21.663 1.00 0.00 H new ATOM 0 HG SER A 53 8.291 3.311 -22.587 1.00 0.00 H new ATOM 758 N VAL A 54 7.369 6.879 -18.918 1.00 0.00 N ATOM 759 CA VAL A 54 6.615 8.074 -18.442 1.00 0.00 C ATOM 760 C VAL A 54 5.564 8.495 -19.466 1.00 0.00 C ATOM 761 O VAL A 54 4.517 8.963 -19.106 1.00 0.00 O ATOM 762 CB VAL A 54 7.649 9.179 -18.240 1.00 0.00 C ATOM 763 CG1 VAL A 54 6.938 10.471 -17.804 1.00 0.00 C ATOM 764 CG2 VAL A 54 8.637 8.745 -17.154 1.00 0.00 C ATOM 0 H VAL A 54 8.377 7.009 -19.009 1.00 0.00 H new ATOM 0 HA VAL A 54 6.081 7.860 -17.516 1.00 0.00 H new ATOM 0 HB VAL A 54 8.184 9.360 -19.172 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.675 11.261 -17.659 1.00 0.00 H new ATOM 0 HG12 VAL A 54 6.228 10.773 -18.574 1.00 0.00 H new ATOM 0 HG13 VAL A 54 6.406 10.296 -16.869 1.00 0.00 H new ATOM 0 HG21 VAL A 54 9.379 9.529 -17.003 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.100 8.570 -16.222 1.00 0.00 H new ATOM 0 HG23 VAL A 54 9.137 7.827 -17.463 1.00 0.00 H new ATOM 774 N GLN A 55 5.837 8.354 -20.735 1.00 0.00 N ATOM 775 CA GLN A 55 4.831 8.777 -21.764 1.00 0.00 C ATOM 776 C GLN A 55 3.442 8.215 -21.421 1.00 0.00 C ATOM 777 O GLN A 55 2.446 8.915 -21.484 1.00 0.00 O ATOM 778 CB GLN A 55 5.336 8.184 -23.079 1.00 0.00 C ATOM 779 CG GLN A 55 6.291 9.171 -23.753 1.00 0.00 C ATOM 780 CD GLN A 55 6.584 8.706 -25.180 1.00 0.00 C ATOM 781 OE1 GLN A 55 7.223 7.692 -25.382 1.00 0.00 O ATOM 782 NE2 GLN A 55 6.139 9.407 -26.187 1.00 0.00 N ATOM 0 H GLN A 55 6.705 7.968 -21.106 1.00 0.00 H new ATOM 0 HA GLN A 55 4.729 9.861 -21.815 1.00 0.00 H new ATOM 0 HB2 GLN A 55 5.846 7.239 -22.892 1.00 0.00 H new ATOM 0 HB3 GLN A 55 4.496 7.967 -23.738 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.850 10.168 -23.768 1.00 0.00 H new ATOM 0 HG3 GLN A 55 7.218 9.241 -23.185 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.603 10.258 -26.019 1.00 0.00 H new ATOM 0 HE22 GLN A 55 6.328 9.104 -27.142 1.00 0.00 H new ATOM 791 N GLN A 56 3.370 6.967 -21.046 1.00 0.00 N ATOM 792 CA GLN A 56 2.051 6.366 -20.687 1.00 0.00 C ATOM 793 C GLN A 56 1.534 6.972 -19.376 1.00 0.00 C ATOM 794 O GLN A 56 0.403 7.407 -19.283 1.00 0.00 O ATOM 795 CB GLN A 56 2.331 4.872 -20.516 1.00 0.00 C ATOM 796 CG GLN A 56 1.017 4.126 -20.273 1.00 0.00 C ATOM 797 CD GLN A 56 1.011 2.825 -21.081 1.00 0.00 C ATOM 798 OE1 GLN A 56 0.763 2.837 -22.270 1.00 0.00 O ATOM 799 NE2 GLN A 56 1.275 1.698 -20.480 1.00 0.00 N ATOM 0 H GLN A 56 4.168 6.336 -20.972 1.00 0.00 H new ATOM 0 HA GLN A 56 1.290 6.553 -21.445 1.00 0.00 H new ATOM 0 HB2 GLN A 56 2.824 4.480 -21.406 1.00 0.00 H new ATOM 0 HB3 GLN A 56 3.011 4.713 -19.679 1.00 0.00 H new ATOM 0 HG2 GLN A 56 0.901 3.908 -19.211 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.173 4.751 -20.564 1.00 0.00 H new ATOM 0 HE21 GLN A 56 1.483 1.689 -19.482 1.00 0.00 H new ATOM 0 HE22 GLN A 56 1.273 0.826 -21.008 1.00 0.00 H new ATOM 808 N PHE A 57 2.361 7.002 -18.365 1.00 0.00 N ATOM 809 CA PHE A 57 1.936 7.579 -17.053 1.00 0.00 C ATOM 810 C PHE A 57 1.614 9.071 -17.204 1.00 0.00 C ATOM 811 O PHE A 57 0.699 9.585 -16.591 1.00 0.00 O ATOM 812 CB PHE A 57 3.140 7.369 -16.126 1.00 0.00 C ATOM 813 CG PHE A 57 2.972 8.176 -14.855 1.00 0.00 C ATOM 814 CD1 PHE A 57 1.737 8.200 -14.194 1.00 0.00 C ATOM 815 CD2 PHE A 57 4.054 8.899 -14.341 1.00 0.00 C ATOM 816 CE1 PHE A 57 1.587 8.948 -13.020 1.00 0.00 C ATOM 817 CE2 PHE A 57 3.904 9.645 -13.168 1.00 0.00 C ATOM 818 CZ PHE A 57 2.671 9.671 -12.507 1.00 0.00 C ATOM 0 H PHE A 57 3.318 6.650 -18.390 1.00 0.00 H new ATOM 0 HA PHE A 57 1.034 7.107 -16.663 1.00 0.00 H new ATOM 0 HB2 PHE A 57 3.240 6.311 -15.883 1.00 0.00 H new ATOM 0 HB3 PHE A 57 4.056 7.667 -16.636 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.901 7.642 -14.590 1.00 0.00 H new ATOM 0 HD2 PHE A 57 5.006 8.881 -14.851 1.00 0.00 H new ATOM 0 HE1 PHE A 57 0.635 8.967 -12.510 1.00 0.00 H new ATOM 0 HE2 PHE A 57 4.740 10.202 -12.772 1.00 0.00 H new ATOM 0 HZ PHE A 57 2.555 10.248 -11.602 1.00 0.00 H new ATOM 828 N LYS A 58 2.368 9.767 -18.011 1.00 0.00 N ATOM 829 CA LYS A 58 2.126 11.226 -18.205 1.00 0.00 C ATOM 830 C LYS A 58 0.699 11.450 -18.709 1.00 0.00 C ATOM 831 O LYS A 58 0.024 12.377 -18.304 1.00 0.00 O ATOM 832 CB LYS A 58 3.138 11.674 -19.266 1.00 0.00 C ATOM 833 CG LYS A 58 4.041 12.767 -18.688 1.00 0.00 C ATOM 834 CD LYS A 58 4.305 13.833 -19.755 1.00 0.00 C ATOM 835 CE LYS A 58 5.115 13.222 -20.904 1.00 0.00 C ATOM 836 NZ LYS A 58 4.204 13.260 -22.082 1.00 0.00 N ATOM 0 H LYS A 58 3.147 9.385 -18.548 1.00 0.00 H new ATOM 0 HA LYS A 58 2.241 11.787 -17.278 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.740 10.825 -19.590 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.615 12.048 -20.146 1.00 0.00 H new ATOM 0 HG2 LYS A 58 3.569 13.220 -17.816 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.983 12.334 -18.351 1.00 0.00 H new ATOM 0 HD2 LYS A 58 3.361 14.227 -20.132 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.849 14.671 -19.319 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.026 13.791 -21.091 1.00 0.00 H new ATOM 0 HE3 LYS A 58 5.419 12.201 -20.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 4.753 13.102 -22.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.483 12.516 -21.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 3.739 14.189 -22.131 1.00 0.00 H new ATOM 850 N GLU A 59 0.235 10.600 -19.586 1.00 0.00 N ATOM 851 CA GLU A 59 -1.151 10.754 -20.115 1.00 0.00 C ATOM 852 C GLU A 59 -2.174 10.350 -19.049 1.00 0.00 C ATOM 853 O GLU A 59 -3.315 10.771 -19.080 1.00 0.00 O ATOM 854 CB GLU A 59 -1.227 9.810 -21.315 1.00 0.00 C ATOM 855 CG GLU A 59 -2.589 9.957 -21.996 1.00 0.00 C ATOM 856 CD GLU A 59 -2.693 8.963 -23.153 1.00 0.00 C ATOM 857 OE1 GLU A 59 -2.749 7.774 -22.883 1.00 0.00 O ATOM 858 OE2 GLU A 59 -2.719 9.406 -24.289 1.00 0.00 O ATOM 0 H GLU A 59 0.756 9.806 -19.959 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.373 11.784 -20.393 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -0.429 10.038 -22.022 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -1.080 8.780 -20.990 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -3.388 9.778 -21.276 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.715 10.975 -22.365 1.00 0.00 H new ATOM 865 N ALA A 60 -1.776 9.540 -18.101 1.00 0.00 N ATOM 866 CA ALA A 60 -2.728 9.115 -17.033 1.00 0.00 C ATOM 867 C ALA A 60 -3.085 10.308 -16.146 1.00 0.00 C ATOM 868 O ALA A 60 -4.225 10.497 -15.767 1.00 0.00 O ATOM 869 CB ALA A 60 -1.977 8.053 -16.228 1.00 0.00 C ATOM 0 H ALA A 60 -0.835 9.156 -18.021 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.662 8.728 -17.441 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.614 7.690 -15.421 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.710 7.222 -16.881 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.071 8.489 -15.807 1.00 0.00 H new ATOM 875 N ILE A 61 -2.113 11.111 -15.812 1.00 0.00 N ATOM 876 CA ILE A 61 -2.377 12.296 -14.946 1.00 0.00 C ATOM 877 C ILE A 61 -3.245 13.316 -15.695 1.00 0.00 C ATOM 878 O ILE A 61 -4.076 13.984 -15.113 1.00 0.00 O ATOM 879 CB ILE A 61 -0.982 12.859 -14.629 1.00 0.00 C ATOM 880 CG1 ILE A 61 -0.952 13.353 -13.179 1.00 0.00 C ATOM 881 CG2 ILE A 61 -0.636 14.017 -15.571 1.00 0.00 C ATOM 882 CD1 ILE A 61 0.241 12.732 -12.456 1.00 0.00 C ATOM 0 H ILE A 61 -1.142 10.997 -16.103 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.924 12.047 -14.037 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.246 12.067 -14.768 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.880 14.440 -13.155 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.879 13.084 -12.672 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.355 14.400 -15.328 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.646 13.663 -16.602 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.371 14.813 -15.454 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.264 13.083 -11.424 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.149 11.646 -12.468 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.163 13.024 -12.959 1.00 0.00 H new ATOM 894 N SER A 62 -3.053 13.434 -16.981 1.00 0.00 N ATOM 895 CA SER A 62 -3.859 14.405 -17.778 1.00 0.00 C ATOM 896 C SER A 62 -5.351 14.078 -17.663 1.00 0.00 C ATOM 897 O SER A 62 -6.177 14.953 -17.501 1.00 0.00 O ATOM 898 CB SER A 62 -3.381 14.233 -19.219 1.00 0.00 C ATOM 899 OG SER A 62 -3.969 13.064 -19.776 1.00 0.00 O ATOM 0 H SER A 62 -2.370 12.898 -17.517 1.00 0.00 H new ATOM 0 HA SER A 62 -3.732 15.429 -17.428 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.653 15.107 -19.811 1.00 0.00 H new ATOM 0 HB3 SER A 62 -2.294 14.155 -19.246 1.00 0.00 H new ATOM 0 HG SER A 62 -3.703 12.281 -19.249 1.00 0.00 H new ATOM 905 N LYS A 63 -5.702 12.825 -17.761 1.00 0.00 N ATOM 906 CA LYS A 63 -7.142 12.438 -17.670 1.00 0.00 C ATOM 907 C LYS A 63 -7.748 12.883 -16.332 1.00 0.00 C ATOM 908 O LYS A 63 -8.804 13.483 -16.291 1.00 0.00 O ATOM 909 CB LYS A 63 -7.153 10.910 -17.778 1.00 0.00 C ATOM 910 CG LYS A 63 -7.749 10.492 -19.123 1.00 0.00 C ATOM 911 CD LYS A 63 -6.672 10.570 -20.206 1.00 0.00 C ATOM 912 CE LYS A 63 -7.171 9.871 -21.473 1.00 0.00 C ATOM 913 NZ LYS A 63 -6.025 9.934 -22.423 1.00 0.00 N ATOM 0 H LYS A 63 -5.054 12.050 -17.900 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.735 12.912 -18.452 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.139 10.522 -17.682 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.736 10.482 -16.962 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.142 9.477 -19.059 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.585 11.142 -19.380 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.433 11.611 -20.422 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.754 10.099 -19.855 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.458 8.840 -21.268 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.050 10.371 -21.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.357 9.712 -23.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.616 10.890 -22.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.301 9.244 -22.139 1.00 0.00 H new ATOM 927 N ARG A 64 -7.098 12.582 -15.238 1.00 0.00 N ATOM 928 CA ARG A 64 -7.653 12.976 -13.906 1.00 0.00 C ATOM 929 C ARG A 64 -7.556 14.492 -13.702 1.00 0.00 C ATOM 930 O ARG A 64 -8.532 15.147 -13.394 1.00 0.00 O ATOM 931 CB ARG A 64 -6.783 12.243 -12.884 1.00 0.00 C ATOM 932 CG ARG A 64 -7.539 12.127 -11.555 1.00 0.00 C ATOM 933 CD ARG A 64 -7.624 10.656 -11.139 1.00 0.00 C ATOM 934 NE ARG A 64 -7.624 10.678 -9.650 1.00 0.00 N ATOM 935 CZ ARG A 64 -8.753 10.694 -8.997 1.00 0.00 C ATOM 936 NH1 ARG A 64 -9.616 11.651 -9.210 1.00 0.00 N ATOM 937 NH2 ARG A 64 -9.021 9.755 -8.132 1.00 0.00 N ATOM 0 H ARG A 64 -6.209 12.082 -15.208 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.708 12.717 -13.812 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.525 11.251 -13.255 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -5.847 12.781 -12.736 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.030 12.705 -10.784 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -8.540 12.545 -11.657 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.528 10.187 -11.527 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -6.779 10.087 -11.526 1.00 0.00 H new ATOM 0 HE ARG A 64 -6.740 10.681 -9.140 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -9.407 12.385 -9.887 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -10.499 11.664 -8.700 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -8.347 9.007 -7.966 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -9.904 9.768 -7.622 1.00 0.00 H new ATOM 951 N PHE A 65 -6.389 15.051 -13.868 1.00 0.00 N ATOM 952 CA PHE A 65 -6.230 16.525 -13.680 1.00 0.00 C ATOM 953 C PHE A 65 -6.983 17.283 -14.777 1.00 0.00 C ATOM 954 O PHE A 65 -7.557 18.328 -14.541 1.00 0.00 O ATOM 955 CB PHE A 65 -4.726 16.780 -13.773 1.00 0.00 C ATOM 956 CG PHE A 65 -4.082 16.454 -12.446 1.00 0.00 C ATOM 957 CD1 PHE A 65 -4.480 17.135 -11.289 1.00 0.00 C ATOM 958 CD2 PHE A 65 -3.091 15.469 -12.372 1.00 0.00 C ATOM 959 CE1 PHE A 65 -3.887 16.830 -10.059 1.00 0.00 C ATOM 960 CE2 PHE A 65 -2.497 15.163 -11.140 1.00 0.00 C ATOM 961 CZ PHE A 65 -2.896 15.844 -9.984 1.00 0.00 C ATOM 0 H PHE A 65 -5.537 14.553 -14.126 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.637 16.867 -12.728 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -4.290 16.168 -14.562 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -4.537 17.821 -14.036 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.245 17.896 -11.346 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -2.784 14.944 -13.265 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.194 17.356 -9.167 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.732 14.403 -11.083 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.439 15.609 -9.034 1.00 0.00 H new ATOM 971 N LYS A 66 -6.977 16.764 -15.977 1.00 0.00 N ATOM 972 CA LYS A 66 -7.683 17.444 -17.106 1.00 0.00 C ATOM 973 C LYS A 66 -7.039 18.802 -17.388 1.00 0.00 C ATOM 974 O LYS A 66 -7.535 19.835 -16.980 1.00 0.00 O ATOM 975 CB LYS A 66 -9.134 17.618 -16.644 1.00 0.00 C ATOM 976 CG LYS A 66 -10.055 17.689 -17.866 1.00 0.00 C ATOM 977 CD LYS A 66 -11.315 16.859 -17.606 1.00 0.00 C ATOM 978 CE LYS A 66 -11.992 16.527 -18.940 1.00 0.00 C ATOM 979 NZ LYS A 66 -13.441 16.414 -18.616 1.00 0.00 N ATOM 0 H LYS A 66 -6.510 15.892 -16.226 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.627 16.866 -18.028 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.425 16.785 -16.004 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.231 18.526 -16.049 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -10.325 18.725 -18.071 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -9.536 17.314 -18.748 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -11.056 15.941 -17.079 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -12.002 17.412 -16.965 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -11.812 17.307 -19.679 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -11.607 15.597 -19.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -13.973 16.188 -19.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -13.582 15.659 -17.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -13.781 17.316 -18.226 1.00 0.00 H new ATOM 993 N SER A 67 -5.935 18.806 -18.087 1.00 0.00 N ATOM 994 CA SER A 67 -5.249 20.093 -18.402 1.00 0.00 C ATOM 995 C SER A 67 -4.398 19.940 -19.665 1.00 0.00 C ATOM 996 O SER A 67 -4.626 20.597 -20.662 1.00 0.00 O ATOM 997 CB SER A 67 -4.364 20.378 -17.189 1.00 0.00 C ATOM 998 OG SER A 67 -3.406 21.371 -17.530 1.00 0.00 O ATOM 0 H SER A 67 -5.478 17.971 -18.454 1.00 0.00 H new ATOM 0 HA SER A 67 -5.954 20.903 -18.589 1.00 0.00 H new ATOM 0 HB2 SER A 67 -4.973 20.717 -16.351 1.00 0.00 H new ATOM 0 HB3 SER A 67 -3.861 19.466 -16.869 1.00 0.00 H new ATOM 0 HG SER A 67 -2.838 21.557 -16.754 1.00 0.00 H new ATOM 1004 N GLN A 68 -3.418 19.076 -19.629 1.00 0.00 N ATOM 1005 CA GLN A 68 -2.549 18.876 -20.825 1.00 0.00 C ATOM 1006 C GLN A 68 -1.674 17.633 -20.639 1.00 0.00 C ATOM 1007 O GLN A 68 -1.918 16.816 -19.773 1.00 0.00 O ATOM 1008 CB GLN A 68 -1.686 20.138 -20.912 1.00 0.00 C ATOM 1009 CG GLN A 68 -0.870 20.300 -19.626 1.00 0.00 C ATOM 1010 CD GLN A 68 -0.646 21.788 -19.350 1.00 0.00 C ATOM 1011 OE1 GLN A 68 -0.805 22.242 -18.234 1.00 0.00 O ATOM 1012 NE2 GLN A 68 -0.283 22.573 -20.327 1.00 0.00 N ATOM 0 H GLN A 68 -3.182 18.499 -18.821 1.00 0.00 H new ATOM 0 HA GLN A 68 -3.129 18.722 -21.735 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -1.018 20.074 -21.771 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -2.319 21.012 -21.064 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -1.394 19.839 -18.789 1.00 0.00 H new ATOM 0 HG3 GLN A 68 0.088 19.789 -19.723 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -0.149 22.193 -21.264 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -0.133 23.567 -20.154 1.00 0.00 H new ATOM 1021 N THR A 69 -0.658 17.484 -21.446 1.00 0.00 N ATOM 1022 CA THR A 69 0.232 16.293 -21.316 1.00 0.00 C ATOM 1023 C THR A 69 1.622 16.602 -21.879 1.00 0.00 C ATOM 1024 O THR A 69 2.629 16.267 -21.287 1.00 0.00 O ATOM 1025 CB THR A 69 -0.449 15.198 -22.139 1.00 0.00 C ATOM 1026 OG1 THR A 69 -1.767 14.991 -21.648 1.00 0.00 O ATOM 1027 CG2 THR A 69 0.350 13.899 -22.027 1.00 0.00 C ATOM 0 H THR A 69 -0.406 18.135 -22.190 1.00 0.00 H new ATOM 0 HA THR A 69 0.372 15.996 -20.277 1.00 0.00 H new ATOM 0 HB THR A 69 -0.493 15.503 -23.184 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.865 15.432 -20.779 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.137 13.120 -22.614 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.360 14.059 -22.404 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.397 13.590 -20.983 1.00 0.00 H new ATOM 1035 N ASP A 70 1.684 17.240 -23.018 1.00 0.00 N ATOM 1036 CA ASP A 70 3.010 17.572 -23.620 1.00 0.00 C ATOM 1037 C ASP A 70 3.829 18.428 -22.650 1.00 0.00 C ATOM 1038 O ASP A 70 4.884 18.030 -22.195 1.00 0.00 O ATOM 1039 CB ASP A 70 2.687 18.360 -24.890 1.00 0.00 C ATOM 1040 CG ASP A 70 3.981 18.658 -25.649 1.00 0.00 C ATOM 1041 OD1 ASP A 70 4.792 19.405 -25.129 1.00 0.00 O ATOM 1042 OD2 ASP A 70 4.140 18.133 -26.740 1.00 0.00 O ATOM 0 H ASP A 70 0.874 17.546 -23.558 1.00 0.00 H new ATOM 0 HA ASP A 70 3.600 16.681 -23.835 1.00 0.00 H new ATOM 0 HB2 ASP A 70 2.006 17.789 -25.521 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.180 19.291 -24.634 1.00 0.00 H new ATOM 1047 N GLN A 71 3.348 19.598 -22.329 1.00 0.00 N ATOM 1048 CA GLN A 71 4.094 20.481 -21.386 1.00 0.00 C ATOM 1049 C GLN A 71 4.033 19.905 -19.968 1.00 0.00 C ATOM 1050 O GLN A 71 4.897 20.153 -19.150 1.00 0.00 O ATOM 1051 CB GLN A 71 3.376 21.831 -21.452 1.00 0.00 C ATOM 1052 CG GLN A 71 3.489 22.399 -22.867 1.00 0.00 C ATOM 1053 CD GLN A 71 3.238 23.907 -22.834 1.00 0.00 C ATOM 1054 OE1 GLN A 71 3.964 24.669 -23.442 1.00 0.00 O ATOM 1055 NE2 GLN A 71 2.235 24.374 -22.143 1.00 0.00 N ATOM 0 H GLN A 71 2.470 19.981 -22.679 1.00 0.00 H new ATOM 0 HA GLN A 71 5.148 20.571 -21.648 1.00 0.00 H new ATOM 0 HB2 GLN A 71 2.327 21.711 -21.179 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.815 22.524 -20.734 1.00 0.00 H new ATOM 0 HG2 GLN A 71 4.479 22.193 -23.275 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.767 21.914 -23.524 1.00 0.00 H new ATOM 0 HE21 GLN A 71 1.626 23.735 -21.633 1.00 0.00 H new ATOM 0 HE22 GLN A 71 2.060 25.378 -22.113 1.00 0.00 H new ATOM 1064 N LEU A 72 3.016 19.138 -19.671 1.00 0.00 N ATOM 1065 CA LEU A 72 2.895 18.542 -18.307 1.00 0.00 C ATOM 1066 C LEU A 72 4.153 17.738 -17.962 1.00 0.00 C ATOM 1067 O LEU A 72 4.319 16.614 -18.392 1.00 0.00 O ATOM 1068 CB LEU A 72 1.674 17.621 -18.383 1.00 0.00 C ATOM 1069 CG LEU A 72 0.828 17.784 -17.120 1.00 0.00 C ATOM 1070 CD1 LEU A 72 -0.526 17.100 -17.321 1.00 0.00 C ATOM 1071 CD2 LEU A 72 1.552 17.139 -15.936 1.00 0.00 C ATOM 0 H LEU A 72 2.263 18.898 -20.316 1.00 0.00 H new ATOM 0 HA LEU A 72 2.785 19.303 -17.535 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.079 17.861 -19.264 1.00 0.00 H new ATOM 0 HB3 LEU A 72 1.994 16.584 -18.487 1.00 0.00 H new ATOM 0 HG LEU A 72 0.674 18.844 -16.920 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.129 17.216 -16.421 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.042 17.557 -18.165 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.372 16.040 -17.520 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.950 17.254 -15.035 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.705 16.079 -16.137 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.518 17.624 -15.792 1.00 0.00 H new ATOM 1083 N VAL A 73 5.039 18.310 -17.190 1.00 0.00 N ATOM 1084 CA VAL A 73 6.289 17.583 -16.817 1.00 0.00 C ATOM 1085 C VAL A 73 6.428 17.529 -15.293 1.00 0.00 C ATOM 1086 O VAL A 73 5.728 18.216 -14.575 1.00 0.00 O ATOM 1087 CB VAL A 73 7.427 18.407 -17.424 1.00 0.00 C ATOM 1088 CG1 VAL A 73 8.756 17.680 -17.202 1.00 0.00 C ATOM 1089 CG2 VAL A 73 7.190 18.591 -18.929 1.00 0.00 C ATOM 0 H VAL A 73 4.952 19.249 -16.801 1.00 0.00 H new ATOM 0 HA VAL A 73 6.292 16.555 -17.179 1.00 0.00 H new ATOM 0 HB VAL A 73 7.460 19.385 -16.943 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.568 18.266 -17.634 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.928 17.555 -16.133 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.720 16.702 -17.681 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.003 19.178 -19.356 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.154 17.615 -19.414 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.245 19.110 -19.088 1.00 0.00 H new ATOM 1099 N LEU A 74 7.329 16.725 -14.793 1.00 0.00 N ATOM 1100 CA LEU A 74 7.513 16.639 -13.317 1.00 0.00 C ATOM 1101 C LEU A 74 8.971 16.930 -12.969 1.00 0.00 C ATOM 1102 O LEU A 74 9.868 16.235 -13.396 1.00 0.00 O ATOM 1103 CB LEU A 74 7.145 15.202 -12.952 1.00 0.00 C ATOM 1104 CG LEU A 74 5.707 14.914 -13.381 1.00 0.00 C ATOM 1105 CD1 LEU A 74 5.708 14.334 -14.797 1.00 0.00 C ATOM 1106 CD2 LEU A 74 5.083 13.904 -12.415 1.00 0.00 C ATOM 0 H LEU A 74 7.944 16.125 -15.343 1.00 0.00 H new ATOM 0 HA LEU A 74 6.900 17.358 -12.773 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.827 14.506 -13.441 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.252 15.051 -11.878 1.00 0.00 H new ATOM 0 HG LEU A 74 5.127 15.837 -13.366 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.683 14.127 -15.106 1.00 0.00 H new ATOM 0 HD12 LEU A 74 6.157 15.052 -15.484 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.285 13.409 -14.811 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.057 13.696 -12.718 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.660 12.980 -12.432 1.00 0.00 H new ATOM 0 HD23 LEU A 74 5.087 14.316 -11.406 1.00 0.00 H new ATOM 1118 N ILE A 75 9.216 17.957 -12.207 1.00 0.00 N ATOM 1119 CA ILE A 75 10.622 18.290 -11.846 1.00 0.00 C ATOM 1120 C ILE A 75 11.086 17.441 -10.659 1.00 0.00 C ATOM 1121 O ILE A 75 10.717 17.679 -9.525 1.00 0.00 O ATOM 1122 CB ILE A 75 10.606 19.776 -11.482 1.00 0.00 C ATOM 1123 CG1 ILE A 75 12.010 20.204 -11.047 1.00 0.00 C ATOM 1124 CG2 ILE A 75 9.621 20.022 -10.338 1.00 0.00 C ATOM 1125 CD1 ILE A 75 12.923 20.277 -12.269 1.00 0.00 C ATOM 0 H ILE A 75 8.507 18.579 -11.819 1.00 0.00 H new ATOM 0 HA ILE A 75 11.313 18.085 -12.664 1.00 0.00 H new ATOM 0 HB ILE A 75 10.296 20.357 -12.351 1.00 0.00 H new ATOM 0 HG12 ILE A 75 11.969 21.174 -10.552 1.00 0.00 H new ATOM 0 HG13 ILE A 75 12.410 19.494 -10.323 1.00 0.00 H new ATOM 0 HG21 ILE A 75 9.615 21.082 -10.084 1.00 0.00 H new ATOM 0 HG22 ILE A 75 8.621 19.717 -10.647 1.00 0.00 H new ATOM 0 HG23 ILE A 75 9.924 19.442 -9.466 1.00 0.00 H new ATOM 0 HD11 ILE A 75 13.922 20.582 -11.959 1.00 0.00 H new ATOM 0 HD12 ILE A 75 12.974 19.297 -12.744 1.00 0.00 H new ATOM 0 HD13 ILE A 75 12.526 21.004 -12.977 1.00 0.00 H new ATOM 1137 N PHE A 76 11.902 16.454 -10.915 1.00 0.00 N ATOM 1138 CA PHE A 76 12.402 15.592 -9.804 1.00 0.00 C ATOM 1139 C PHE A 76 13.920 15.736 -9.661 1.00 0.00 C ATOM 1140 O PHE A 76 14.647 15.739 -10.636 1.00 0.00 O ATOM 1141 CB PHE A 76 12.037 14.162 -10.202 1.00 0.00 C ATOM 1142 CG PHE A 76 12.374 13.217 -9.069 1.00 0.00 C ATOM 1143 CD1 PHE A 76 12.039 13.551 -7.748 1.00 0.00 C ATOM 1144 CD2 PHE A 76 13.024 12.007 -9.339 1.00 0.00 C ATOM 1145 CE1 PHE A 76 12.355 12.676 -6.703 1.00 0.00 C ATOM 1146 CE2 PHE A 76 13.341 11.133 -8.292 1.00 0.00 C ATOM 1147 CZ PHE A 76 13.006 11.467 -6.974 1.00 0.00 C ATOM 0 H PHE A 76 12.244 16.207 -11.844 1.00 0.00 H new ATOM 0 HA PHE A 76 11.963 15.870 -8.846 1.00 0.00 H new ATOM 0 HB2 PHE A 76 10.975 14.099 -10.437 1.00 0.00 H new ATOM 0 HB3 PHE A 76 12.580 13.875 -11.102 1.00 0.00 H new ATOM 0 HD1 PHE A 76 11.537 14.484 -7.538 1.00 0.00 H new ATOM 0 HD2 PHE A 76 13.281 11.747 -10.355 1.00 0.00 H new ATOM 0 HE1 PHE A 76 12.096 12.934 -5.687 1.00 0.00 H new ATOM 0 HE2 PHE A 76 13.844 10.201 -8.501 1.00 0.00 H new ATOM 0 HZ PHE A 76 13.250 10.792 -6.167 1.00 0.00 H new ATOM 1157 N ALA A 77 14.403 15.853 -8.451 1.00 0.00 N ATOM 1158 CA ALA A 77 15.876 15.995 -8.232 1.00 0.00 C ATOM 1159 C ALA A 77 16.442 17.133 -9.089 1.00 0.00 C ATOM 1160 O ALA A 77 17.604 17.132 -9.446 1.00 0.00 O ATOM 1161 CB ALA A 77 16.475 14.653 -8.660 1.00 0.00 C ATOM 0 H ALA A 77 13.839 15.856 -7.601 1.00 0.00 H new ATOM 0 HA ALA A 77 16.112 16.236 -7.196 1.00 0.00 H new ATOM 0 HB1 ALA A 77 17.557 14.679 -8.528 1.00 0.00 H new ATOM 0 HB2 ALA A 77 16.054 13.855 -8.049 1.00 0.00 H new ATOM 0 HB3 ALA A 77 16.242 14.468 -9.709 1.00 0.00 H new ATOM 1167 N GLY A 78 15.630 18.101 -9.418 1.00 0.00 N ATOM 1168 CA GLY A 78 16.121 19.239 -10.249 1.00 0.00 C ATOM 1169 C GLY A 78 16.259 18.792 -11.706 1.00 0.00 C ATOM 1170 O GLY A 78 17.018 19.358 -12.469 1.00 0.00 O ATOM 0 H GLY A 78 14.648 18.154 -9.148 1.00 0.00 H new ATOM 0 HA2 GLY A 78 15.428 20.078 -10.180 1.00 0.00 H new ATOM 0 HA3 GLY A 78 17.083 19.588 -9.873 1.00 0.00 H new ATOM 1174 N LYS A 79 15.527 17.784 -12.101 1.00 0.00 N ATOM 1175 CA LYS A 79 15.611 17.302 -13.512 1.00 0.00 C ATOM 1176 C LYS A 79 14.216 17.277 -14.140 1.00 0.00 C ATOM 1177 O LYS A 79 13.263 17.777 -13.574 1.00 0.00 O ATOM 1178 CB LYS A 79 16.182 15.887 -13.414 1.00 0.00 C ATOM 1179 CG LYS A 79 17.700 15.935 -13.598 1.00 0.00 C ATOM 1180 CD LYS A 79 18.352 16.479 -12.326 1.00 0.00 C ATOM 1181 CE LYS A 79 19.762 15.901 -12.181 1.00 0.00 C ATOM 1182 NZ LYS A 79 19.658 14.901 -11.082 1.00 0.00 N ATOM 0 H LYS A 79 14.874 17.273 -11.507 1.00 0.00 H new ATOM 0 HA LYS A 79 16.230 17.947 -14.135 1.00 0.00 H new ATOM 0 HB2 LYS A 79 15.936 15.450 -12.446 1.00 0.00 H new ATOM 0 HB3 LYS A 79 15.733 15.249 -14.175 1.00 0.00 H new ATOM 0 HG2 LYS A 79 18.082 14.938 -13.817 1.00 0.00 H new ATOM 0 HG3 LYS A 79 17.954 16.568 -14.449 1.00 0.00 H new ATOM 0 HD2 LYS A 79 18.397 17.567 -12.366 1.00 0.00 H new ATOM 0 HD3 LYS A 79 17.750 16.216 -11.456 1.00 0.00 H new ATOM 0 HE2 LYS A 79 20.095 15.435 -13.108 1.00 0.00 H new ATOM 0 HE3 LYS A 79 20.485 16.680 -11.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 20.587 14.461 -10.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 19.346 15.374 -10.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 18.968 14.168 -11.344 1.00 0.00 H new ATOM 1196 N ILE A 80 14.085 16.689 -15.299 1.00 0.00 N ATOM 1197 CA ILE A 80 12.739 16.627 -15.953 1.00 0.00 C ATOM 1198 C ILE A 80 12.158 15.223 -15.831 1.00 0.00 C ATOM 1199 O ILE A 80 12.237 14.430 -16.750 1.00 0.00 O ATOM 1200 CB ILE A 80 12.923 16.991 -17.441 1.00 0.00 C ATOM 1201 CG1 ILE A 80 14.337 16.653 -17.942 1.00 0.00 C ATOM 1202 CG2 ILE A 80 12.677 18.488 -17.628 1.00 0.00 C ATOM 1203 CD1 ILE A 80 14.560 15.140 -17.891 1.00 0.00 C ATOM 0 H ILE A 80 14.844 16.251 -15.821 1.00 0.00 H new ATOM 0 HA ILE A 80 12.052 17.322 -15.470 1.00 0.00 H new ATOM 0 HB ILE A 80 12.208 16.405 -18.019 1.00 0.00 H new ATOM 0 HG12 ILE A 80 14.467 17.014 -18.962 1.00 0.00 H new ATOM 0 HG13 ILE A 80 15.081 17.160 -17.327 1.00 0.00 H new ATOM 0 HG21 ILE A 80 12.806 18.750 -18.678 1.00 0.00 H new ATOM 0 HG22 ILE A 80 11.662 18.732 -17.315 1.00 0.00 H new ATOM 0 HG23 ILE A 80 13.388 19.052 -17.024 1.00 0.00 H new ATOM 0 HD11 ILE A 80 15.564 14.908 -18.247 1.00 0.00 H new ATOM 0 HD12 ILE A 80 14.449 14.790 -16.865 1.00 0.00 H new ATOM 0 HD13 ILE A 80 13.826 14.642 -18.525 1.00 0.00 H new ATOM 1215 N LEU A 81 11.554 14.904 -14.717 1.00 0.00 N ATOM 1216 CA LEU A 81 10.956 13.548 -14.580 1.00 0.00 C ATOM 1217 C LEU A 81 9.850 13.397 -15.620 1.00 0.00 C ATOM 1218 O LEU A 81 8.712 13.768 -15.394 1.00 0.00 O ATOM 1219 CB LEU A 81 10.390 13.485 -13.162 1.00 0.00 C ATOM 1220 CG LEU A 81 10.004 12.041 -12.833 1.00 0.00 C ATOM 1221 CD1 LEU A 81 9.912 11.874 -11.316 1.00 0.00 C ATOM 1222 CD2 LEU A 81 8.647 11.718 -13.463 1.00 0.00 C ATOM 0 H LEU A 81 11.450 15.516 -13.907 1.00 0.00 H new ATOM 0 HA LEU A 81 11.677 12.746 -14.740 1.00 0.00 H new ATOM 0 HB2 LEU A 81 11.129 13.848 -12.447 1.00 0.00 H new ATOM 0 HB3 LEU A 81 9.519 14.134 -13.077 1.00 0.00 H new ATOM 0 HG LEU A 81 10.759 11.363 -13.231 1.00 0.00 H new ATOM 0 HD11 LEU A 81 9.637 10.846 -11.079 1.00 0.00 H new ATOM 0 HD12 LEU A 81 10.877 12.105 -10.865 1.00 0.00 H new ATOM 0 HD13 LEU A 81 9.156 12.552 -10.921 1.00 0.00 H new ATOM 0 HD21 LEU A 81 8.373 10.690 -13.228 1.00 0.00 H new ATOM 0 HD22 LEU A 81 7.891 12.395 -13.065 1.00 0.00 H new ATOM 0 HD23 LEU A 81 8.710 11.839 -14.544 1.00 0.00 H new ATOM 1234 N LYS A 82 10.186 12.883 -16.770 1.00 0.00 N ATOM 1235 CA LYS A 82 9.168 12.730 -17.842 1.00 0.00 C ATOM 1236 C LYS A 82 9.557 11.588 -18.788 1.00 0.00 C ATOM 1237 O LYS A 82 10.092 10.581 -18.368 1.00 0.00 O ATOM 1238 CB LYS A 82 9.175 14.073 -18.571 1.00 0.00 C ATOM 1239 CG LYS A 82 7.772 14.363 -19.104 1.00 0.00 C ATOM 1240 CD LYS A 82 7.769 15.708 -19.833 1.00 0.00 C ATOM 1241 CE LYS A 82 7.981 15.480 -21.330 1.00 0.00 C ATOM 1242 NZ LYS A 82 8.671 16.710 -21.811 1.00 0.00 N ATOM 0 H LYS A 82 11.123 12.562 -17.013 1.00 0.00 H new ATOM 0 HA LYS A 82 8.181 12.482 -17.452 1.00 0.00 H new ATOM 0 HB2 LYS A 82 9.491 14.866 -17.894 1.00 0.00 H new ATOM 0 HB3 LYS A 82 9.892 14.051 -19.392 1.00 0.00 H new ATOM 0 HG2 LYS A 82 7.458 13.569 -19.782 1.00 0.00 H new ATOM 0 HG3 LYS A 82 7.056 14.382 -18.282 1.00 0.00 H new ATOM 0 HD2 LYS A 82 6.823 16.223 -19.664 1.00 0.00 H new ATOM 0 HD3 LYS A 82 8.557 16.349 -19.437 1.00 0.00 H new ATOM 0 HE2 LYS A 82 8.585 14.591 -21.513 1.00 0.00 H new ATOM 0 HE3 LYS A 82 7.032 15.332 -21.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 8.852 16.630 -22.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 8.070 17.539 -21.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 9.574 16.821 -21.307 1.00 0.00 H new ATOM 1256 N ASP A 83 9.297 11.734 -20.060 1.00 0.00 N ATOM 1257 CA ASP A 83 9.650 10.652 -21.024 1.00 0.00 C ATOM 1258 C ASP A 83 11.167 10.594 -21.219 1.00 0.00 C ATOM 1259 O ASP A 83 11.706 9.602 -21.671 1.00 0.00 O ATOM 1260 CB ASP A 83 8.937 11.025 -22.326 1.00 0.00 C ATOM 1261 CG ASP A 83 9.500 12.341 -22.878 1.00 0.00 C ATOM 1262 OD1 ASP A 83 10.096 13.079 -22.111 1.00 0.00 O ATOM 1263 OD2 ASP A 83 9.322 12.586 -24.060 1.00 0.00 O ATOM 0 H ASP A 83 8.856 12.556 -20.473 1.00 0.00 H new ATOM 0 HA ASP A 83 9.345 9.666 -20.673 1.00 0.00 H new ATOM 0 HB2 ASP A 83 9.065 10.230 -23.060 1.00 0.00 H new ATOM 0 HB3 ASP A 83 7.866 11.125 -22.147 1.00 0.00 H new ATOM 1268 N GLN A 84 11.860 11.647 -20.872 1.00 0.00 N ATOM 1269 CA GLN A 84 13.343 11.651 -21.025 1.00 0.00 C ATOM 1270 C GLN A 84 13.942 10.433 -20.318 1.00 0.00 C ATOM 1271 O GLN A 84 14.942 9.887 -20.742 1.00 0.00 O ATOM 1272 CB GLN A 84 13.811 12.945 -20.358 1.00 0.00 C ATOM 1273 CG GLN A 84 15.182 13.337 -20.913 1.00 0.00 C ATOM 1274 CD GLN A 84 15.040 13.752 -22.379 1.00 0.00 C ATOM 1275 OE1 GLN A 84 15.419 13.017 -23.269 1.00 0.00 O ATOM 1276 NE2 GLN A 84 14.506 14.907 -22.670 1.00 0.00 N ATOM 0 H GLN A 84 11.462 12.504 -20.489 1.00 0.00 H new ATOM 0 HA GLN A 84 13.653 11.601 -22.069 1.00 0.00 H new ATOM 0 HB2 GLN A 84 13.091 13.742 -20.541 1.00 0.00 H new ATOM 0 HB3 GLN A 84 13.869 12.810 -19.278 1.00 0.00 H new ATOM 0 HG2 GLN A 84 15.601 14.158 -20.331 1.00 0.00 H new ATOM 0 HG3 GLN A 84 15.874 12.499 -20.827 1.00 0.00 H new ATOM 0 HE21 GLN A 84 14.188 15.524 -21.923 1.00 0.00 H new ATOM 0 HE22 GLN A 84 14.407 15.192 -23.644 1.00 0.00 H new ATOM 1285 N ASP A 85 13.338 10.005 -19.240 1.00 0.00 N ATOM 1286 CA ASP A 85 13.876 8.821 -18.505 1.00 0.00 C ATOM 1287 C ASP A 85 12.739 8.029 -17.855 1.00 0.00 C ATOM 1288 O ASP A 85 11.635 8.517 -17.708 1.00 0.00 O ATOM 1289 CB ASP A 85 14.797 9.408 -17.435 1.00 0.00 C ATOM 1290 CG ASP A 85 16.225 9.494 -17.980 1.00 0.00 C ATOM 1291 OD1 ASP A 85 16.770 8.459 -18.325 1.00 0.00 O ATOM 1292 OD2 ASP A 85 16.748 10.594 -18.043 1.00 0.00 O ATOM 0 H ASP A 85 12.499 10.422 -18.838 1.00 0.00 H new ATOM 0 HA ASP A 85 14.400 8.131 -19.167 1.00 0.00 H new ATOM 0 HB2 ASP A 85 14.448 10.398 -17.143 1.00 0.00 H new ATOM 0 HB3 ASP A 85 14.775 8.786 -16.540 1.00 0.00 H new ATOM 1297 N THR A 86 13.001 6.809 -17.461 1.00 0.00 N ATOM 1298 CA THR A 86 11.939 5.985 -16.814 1.00 0.00 C ATOM 1299 C THR A 86 11.922 6.255 -15.306 1.00 0.00 C ATOM 1300 O THR A 86 12.892 6.725 -14.743 1.00 0.00 O ATOM 1301 CB THR A 86 12.325 4.531 -17.098 1.00 0.00 C ATOM 1302 OG1 THR A 86 13.738 4.386 -17.001 1.00 0.00 O ATOM 1303 CG2 THR A 86 11.858 4.143 -18.504 1.00 0.00 C ATOM 0 H THR A 86 13.906 6.349 -17.560 1.00 0.00 H new ATOM 0 HA THR A 86 10.944 6.216 -17.195 1.00 0.00 H new ATOM 0 HB THR A 86 11.847 3.878 -16.368 1.00 0.00 H new ATOM 0 HG1 THR A 86 13.984 3.455 -17.181 1.00 0.00 H new ATOM 0 HG21 THR A 86 12.133 3.108 -18.706 1.00 0.00 H new ATOM 0 HG22 THR A 86 10.775 4.250 -18.570 1.00 0.00 H new ATOM 0 HG23 THR A 86 12.333 4.794 -19.238 1.00 0.00 H new ATOM 1311 N LEU A 87 10.830 5.973 -14.651 1.00 0.00 N ATOM 1312 CA LEU A 87 10.758 6.229 -13.180 1.00 0.00 C ATOM 1313 C LEU A 87 11.720 5.312 -12.422 1.00 0.00 C ATOM 1314 O LEU A 87 12.456 5.757 -11.564 1.00 0.00 O ATOM 1315 CB LEU A 87 9.305 5.956 -12.789 1.00 0.00 C ATOM 1316 CG LEU A 87 8.671 7.247 -12.260 1.00 0.00 C ATOM 1317 CD1 LEU A 87 8.717 8.335 -13.338 1.00 0.00 C ATOM 1318 CD2 LEU A 87 7.217 6.978 -11.867 1.00 0.00 C ATOM 0 H LEU A 87 9.986 5.578 -15.066 1.00 0.00 H new ATOM 0 HA LEU A 87 11.051 7.248 -12.930 1.00 0.00 H new ATOM 0 HB2 LEU A 87 8.747 5.590 -13.651 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.262 5.177 -12.027 1.00 0.00 H new ATOM 0 HG LEU A 87 9.229 7.587 -11.388 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.264 9.248 -12.953 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.753 8.532 -13.613 1.00 0.00 H new ATOM 0 HD13 LEU A 87 8.166 8.000 -14.217 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.766 7.896 -11.491 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.662 6.632 -12.739 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.185 6.214 -11.091 1.00 0.00 H new ATOM 1330 N ILE A 88 11.735 4.042 -12.730 1.00 0.00 N ATOM 1331 CA ILE A 88 12.672 3.125 -12.012 1.00 0.00 C ATOM 1332 C ILE A 88 14.119 3.527 -12.299 1.00 0.00 C ATOM 1333 O ILE A 88 15.032 3.135 -11.598 1.00 0.00 O ATOM 1334 CB ILE A 88 12.399 1.723 -12.559 1.00 0.00 C ATOM 1335 CG1 ILE A 88 12.376 1.749 -14.095 1.00 0.00 C ATOM 1336 CG2 ILE A 88 11.055 1.224 -12.027 1.00 0.00 C ATOM 1337 CD1 ILE A 88 13.347 0.700 -14.643 1.00 0.00 C ATOM 0 H ILE A 88 11.147 3.603 -13.439 1.00 0.00 H new ATOM 0 HA ILE A 88 12.524 3.167 -10.933 1.00 0.00 H new ATOM 0 HB ILE A 88 13.192 1.050 -12.233 1.00 0.00 H new ATOM 0 HG12 ILE A 88 11.367 1.549 -14.457 1.00 0.00 H new ATOM 0 HG13 ILE A 88 12.654 2.739 -14.456 1.00 0.00 H new ATOM 0 HG21 ILE A 88 10.858 0.225 -12.416 1.00 0.00 H new ATOM 0 HG22 ILE A 88 11.085 1.191 -10.938 1.00 0.00 H new ATOM 0 HG23 ILE A 88 10.263 1.901 -12.348 1.00 0.00 H new ATOM 0 HD11 ILE A 88 13.328 0.721 -15.733 1.00 0.00 H new ATOM 0 HD12 ILE A 88 14.356 0.920 -14.293 1.00 0.00 H new ATOM 0 HD13 ILE A 88 13.049 -0.289 -14.294 1.00 0.00 H new ATOM 1349 N GLN A 89 14.337 4.300 -13.328 1.00 0.00 N ATOM 1350 CA GLN A 89 15.724 4.719 -13.663 1.00 0.00 C ATOM 1351 C GLN A 89 16.052 6.075 -13.032 1.00 0.00 C ATOM 1352 O GLN A 89 17.204 6.457 -12.952 1.00 0.00 O ATOM 1353 CB GLN A 89 15.748 4.819 -15.188 1.00 0.00 C ATOM 1354 CG GLN A 89 17.181 5.070 -15.661 1.00 0.00 C ATOM 1355 CD GLN A 89 17.356 4.531 -17.083 1.00 0.00 C ATOM 1356 OE1 GLN A 89 16.565 3.734 -17.546 1.00 0.00 O ATOM 1357 NE2 GLN A 89 18.368 4.937 -17.800 1.00 0.00 N ATOM 0 H GLN A 89 13.613 4.659 -13.950 1.00 0.00 H new ATOM 0 HA GLN A 89 16.464 4.014 -13.284 1.00 0.00 H new ATOM 0 HB2 GLN A 89 15.364 3.899 -15.629 1.00 0.00 H new ATOM 0 HB3 GLN A 89 15.097 5.628 -15.520 1.00 0.00 H new ATOM 0 HG2 GLN A 89 17.401 6.137 -15.637 1.00 0.00 H new ATOM 0 HG3 GLN A 89 17.887 4.584 -14.988 1.00 0.00 H new ATOM 0 HE21 GLN A 89 19.032 5.606 -17.411 1.00 0.00 H new ATOM 0 HE22 GLN A 89 18.495 4.585 -18.749 1.00 0.00 H new ATOM 1366 N HIS A 90 15.063 6.814 -12.581 1.00 0.00 N ATOM 1367 CA HIS A 90 15.365 8.146 -11.961 1.00 0.00 C ATOM 1368 C HIS A 90 14.089 8.886 -11.543 1.00 0.00 C ATOM 1369 O HIS A 90 14.115 9.696 -10.638 1.00 0.00 O ATOM 1370 CB HIS A 90 16.086 8.944 -13.051 1.00 0.00 C ATOM 1371 CG HIS A 90 17.456 9.338 -12.569 1.00 0.00 C ATOM 1372 ND1 HIS A 90 18.218 8.515 -11.756 1.00 0.00 N ATOM 1373 CD2 HIS A 90 18.213 10.465 -12.778 1.00 0.00 C ATOM 1374 CE1 HIS A 90 19.377 9.153 -11.505 1.00 0.00 C ATOM 1375 NE2 HIS A 90 19.425 10.346 -12.105 1.00 0.00 N ATOM 0 H HIS A 90 14.076 6.558 -12.614 1.00 0.00 H new ATOM 0 HA HIS A 90 15.962 8.023 -11.057 1.00 0.00 H new ATOM 0 HB2 HIS A 90 16.167 8.346 -13.959 1.00 0.00 H new ATOM 0 HB3 HIS A 90 15.510 9.834 -13.305 1.00 0.00 H new ATOM 0 HD1 HIS A 90 17.950 7.594 -11.410 1.00 0.00 H new ATOM 0 HD2 HIS A 90 17.913 11.314 -13.374 1.00 0.00 H new ATOM 0 HE1 HIS A 90 20.171 8.750 -10.894 1.00 0.00 H new ATOM 1383 N GLY A 91 12.979 8.640 -12.190 1.00 0.00 N ATOM 1384 CA GLY A 91 11.732 9.367 -11.806 1.00 0.00 C ATOM 1385 C GLY A 91 11.427 9.079 -10.339 1.00 0.00 C ATOM 1386 O GLY A 91 11.216 9.979 -9.549 1.00 0.00 O ATOM 0 H GLY A 91 12.882 7.976 -12.958 1.00 0.00 H new ATOM 0 HA2 GLY A 91 11.857 10.439 -11.962 1.00 0.00 H new ATOM 0 HA3 GLY A 91 10.900 9.048 -12.434 1.00 0.00 H new ATOM 1390 N ILE A 92 11.427 7.832 -9.965 1.00 0.00 N ATOM 1391 CA ILE A 92 11.167 7.475 -8.547 1.00 0.00 C ATOM 1392 C ILE A 92 11.872 6.156 -8.232 1.00 0.00 C ATOM 1393 O ILE A 92 12.198 5.393 -9.121 1.00 0.00 O ATOM 1394 CB ILE A 92 9.650 7.313 -8.430 1.00 0.00 C ATOM 1395 CG1 ILE A 92 9.187 6.199 -9.370 1.00 0.00 C ATOM 1396 CG2 ILE A 92 8.955 8.624 -8.805 1.00 0.00 C ATOM 1397 CD1 ILE A 92 9.284 4.857 -8.646 1.00 0.00 C ATOM 0 H ILE A 92 11.597 7.041 -10.585 1.00 0.00 H new ATOM 0 HA ILE A 92 11.535 8.229 -7.851 1.00 0.00 H new ATOM 0 HB ILE A 92 9.393 7.056 -7.402 1.00 0.00 H new ATOM 0 HG12 ILE A 92 8.161 6.380 -9.690 1.00 0.00 H new ATOM 0 HG13 ILE A 92 9.803 6.186 -10.269 1.00 0.00 H new ATOM 0 HG21 ILE A 92 7.875 8.501 -8.719 1.00 0.00 H new ATOM 0 HG22 ILE A 92 9.284 9.416 -8.132 1.00 0.00 H new ATOM 0 HG23 ILE A 92 9.210 8.890 -9.831 1.00 0.00 H new ATOM 0 HD11 ILE A 92 8.955 4.060 -9.312 1.00 0.00 H new ATOM 0 HD12 ILE A 92 10.317 4.678 -8.348 1.00 0.00 H new ATOM 0 HD13 ILE A 92 8.649 4.875 -7.760 1.00 0.00 H new ATOM 1409 N HIS A 93 12.098 5.871 -6.985 1.00 0.00 N ATOM 1410 CA HIS A 93 12.767 4.590 -6.633 1.00 0.00 C ATOM 1411 C HIS A 93 11.764 3.658 -5.947 1.00 0.00 C ATOM 1412 O HIS A 93 11.868 2.450 -6.030 1.00 0.00 O ATOM 1413 CB HIS A 93 13.902 4.980 -5.687 1.00 0.00 C ATOM 1414 CG HIS A 93 15.157 5.227 -6.483 1.00 0.00 C ATOM 1415 ND1 HIS A 93 15.153 5.919 -7.688 1.00 0.00 N ATOM 1416 CD2 HIS A 93 16.465 4.876 -6.259 1.00 0.00 C ATOM 1417 CE1 HIS A 93 16.422 5.961 -8.134 1.00 0.00 C ATOM 1418 NE2 HIS A 93 17.262 5.341 -7.301 1.00 0.00 N ATOM 0 H HIS A 93 11.850 6.466 -6.195 1.00 0.00 H new ATOM 0 HA HIS A 93 13.147 4.057 -7.505 1.00 0.00 H new ATOM 0 HB2 HIS A 93 13.632 5.875 -5.127 1.00 0.00 H new ATOM 0 HB3 HIS A 93 14.071 4.187 -4.958 1.00 0.00 H new ATOM 0 HD2 HIS A 93 16.822 4.322 -5.403 1.00 0.00 H new ATOM 0 HE1 HIS A 93 16.725 6.438 -9.054 1.00 0.00 H new ATOM 0 HE2 HIS A 93 18.271 5.232 -7.406 1.00 0.00 H new ATOM 1426 N ASP A 94 10.784 4.218 -5.281 1.00 0.00 N ATOM 1427 CA ASP A 94 9.753 3.380 -4.593 1.00 0.00 C ATOM 1428 C ASP A 94 8.716 4.278 -3.913 1.00 0.00 C ATOM 1429 O ASP A 94 8.218 3.970 -2.847 1.00 0.00 O ATOM 1430 CB ASP A 94 10.519 2.562 -3.550 1.00 0.00 C ATOM 1431 CG ASP A 94 9.556 1.618 -2.827 1.00 0.00 C ATOM 1432 OD1 ASP A 94 9.161 0.632 -3.428 1.00 0.00 O ATOM 1433 OD2 ASP A 94 9.229 1.897 -1.686 1.00 0.00 O ATOM 0 H ASP A 94 10.653 5.225 -5.184 1.00 0.00 H new ATOM 0 HA ASP A 94 9.216 2.738 -5.291 1.00 0.00 H new ATOM 0 HB2 ASP A 94 11.311 1.989 -4.033 1.00 0.00 H new ATOM 0 HB3 ASP A 94 10.999 3.228 -2.832 1.00 0.00 H new ATOM 1438 N GLY A 95 8.384 5.387 -4.520 1.00 0.00 N ATOM 1439 CA GLY A 95 7.379 6.303 -3.908 1.00 0.00 C ATOM 1440 C GLY A 95 8.051 7.623 -3.521 1.00 0.00 C ATOM 1441 O GLY A 95 8.219 7.924 -2.355 1.00 0.00 O ATOM 0 H GLY A 95 8.766 5.697 -5.413 1.00 0.00 H new ATOM 0 HA2 GLY A 95 6.567 6.490 -4.611 1.00 0.00 H new ATOM 0 HA3 GLY A 95 6.937 5.837 -3.027 1.00 0.00 H new ATOM 1445 N LEU A 96 8.434 8.411 -4.489 1.00 0.00 N ATOM 1446 CA LEU A 96 9.095 9.714 -4.177 1.00 0.00 C ATOM 1447 C LEU A 96 8.137 10.874 -4.466 1.00 0.00 C ATOM 1448 O LEU A 96 7.062 10.685 -4.999 1.00 0.00 O ATOM 1449 CB LEU A 96 10.310 9.774 -5.106 1.00 0.00 C ATOM 1450 CG LEU A 96 11.571 9.339 -4.351 1.00 0.00 C ATOM 1451 CD1 LEU A 96 11.843 10.307 -3.197 1.00 0.00 C ATOM 1452 CD2 LEU A 96 11.378 7.925 -3.794 1.00 0.00 C ATOM 0 H LEU A 96 8.319 8.210 -5.482 1.00 0.00 H new ATOM 0 HA LEU A 96 9.381 9.793 -3.128 1.00 0.00 H new ATOM 0 HB2 LEU A 96 10.151 9.126 -5.968 1.00 0.00 H new ATOM 0 HB3 LEU A 96 10.436 10.787 -5.488 1.00 0.00 H new ATOM 0 HG LEU A 96 12.418 9.346 -5.037 1.00 0.00 H new ATOM 0 HD11 LEU A 96 12.740 9.994 -2.663 1.00 0.00 H new ATOM 0 HD12 LEU A 96 11.988 11.312 -3.592 1.00 0.00 H new ATOM 0 HD13 LEU A 96 10.995 10.305 -2.513 1.00 0.00 H new ATOM 0 HD21 LEU A 96 12.277 7.619 -3.258 1.00 0.00 H new ATOM 0 HD22 LEU A 96 10.528 7.915 -3.112 1.00 0.00 H new ATOM 0 HD23 LEU A 96 11.192 7.233 -4.615 1.00 0.00 H new ATOM 1464 N THR A 97 8.521 12.075 -4.118 1.00 0.00 N ATOM 1465 CA THR A 97 7.635 13.251 -4.372 1.00 0.00 C ATOM 1466 C THR A 97 8.254 14.155 -5.441 1.00 0.00 C ATOM 1467 O THR A 97 9.416 14.505 -5.375 1.00 0.00 O ATOM 1468 CB THR A 97 7.552 13.984 -3.032 1.00 0.00 C ATOM 1469 OG1 THR A 97 8.857 14.384 -2.633 1.00 0.00 O ATOM 1470 CG2 THR A 97 6.953 13.057 -1.974 1.00 0.00 C ATOM 0 H THR A 97 9.410 12.293 -3.669 1.00 0.00 H new ATOM 0 HA THR A 97 6.650 12.956 -4.735 1.00 0.00 H new ATOM 0 HB THR A 97 6.917 14.864 -3.138 1.00 0.00 H new ATOM 0 HG1 THR A 97 9.365 14.673 -3.419 1.00 0.00 H new ATOM 0 HG21 THR A 97 6.895 13.582 -1.021 1.00 0.00 H new ATOM 0 HG22 THR A 97 5.953 12.752 -2.282 1.00 0.00 H new ATOM 0 HG23 THR A 97 7.583 12.175 -1.864 1.00 0.00 H new ATOM 1478 N VAL A 98 7.487 14.530 -6.430 1.00 0.00 N ATOM 1479 CA VAL A 98 8.030 15.407 -7.511 1.00 0.00 C ATOM 1480 C VAL A 98 7.133 16.635 -7.700 1.00 0.00 C ATOM 1481 O VAL A 98 5.941 16.583 -7.468 1.00 0.00 O ATOM 1482 CB VAL A 98 8.022 14.533 -8.770 1.00 0.00 C ATOM 1483 CG1 VAL A 98 8.922 13.315 -8.553 1.00 0.00 C ATOM 1484 CG2 VAL A 98 6.592 14.061 -9.065 1.00 0.00 C ATOM 0 H VAL A 98 6.507 14.267 -6.537 1.00 0.00 H new ATOM 0 HA VAL A 98 9.028 15.779 -7.279 1.00 0.00 H new ATOM 0 HB VAL A 98 8.392 15.116 -9.613 1.00 0.00 H new ATOM 0 HG11 VAL A 98 8.916 12.694 -9.449 1.00 0.00 H new ATOM 0 HG12 VAL A 98 9.940 13.647 -8.348 1.00 0.00 H new ATOM 0 HG13 VAL A 98 8.552 12.735 -7.707 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.591 13.440 -9.961 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.219 13.481 -8.221 1.00 0.00 H new ATOM 0 HG23 VAL A 98 5.948 14.926 -9.223 1.00 0.00 H new ATOM 1494 N HIS A 99 7.693 17.742 -8.118 1.00 0.00 N ATOM 1495 CA HIS A 99 6.858 18.964 -8.319 1.00 0.00 C ATOM 1496 C HIS A 99 6.336 19.012 -9.759 1.00 0.00 C ATOM 1497 O HIS A 99 7.072 18.794 -10.702 1.00 0.00 O ATOM 1498 CB HIS A 99 7.796 20.141 -8.040 1.00 0.00 C ATOM 1499 CG HIS A 99 7.442 20.786 -6.725 1.00 0.00 C ATOM 1500 ND1 HIS A 99 8.060 21.946 -6.283 1.00 0.00 N ATOM 1501 CD2 HIS A 99 6.539 20.448 -5.744 1.00 0.00 C ATOM 1502 CE1 HIS A 99 7.529 22.260 -5.088 1.00 0.00 C ATOM 1503 NE2 HIS A 99 6.596 21.380 -4.713 1.00 0.00 N ATOM 0 H HIS A 99 8.685 17.852 -8.327 1.00 0.00 H new ATOM 0 HA HIS A 99 5.986 18.983 -7.665 1.00 0.00 H new ATOM 0 HB2 HIS A 99 8.829 19.795 -8.017 1.00 0.00 H new ATOM 0 HB3 HIS A 99 7.722 20.873 -8.844 1.00 0.00 H new ATOM 0 HD2 HIS A 99 5.885 19.589 -5.770 1.00 0.00 H new ATOM 0 HE1 HIS A 99 7.821 23.119 -4.502 1.00 0.00 H new ATOM 0 HE2 HIS A 99 6.044 21.390 -3.855 1.00 0.00 H new ATOM 1511 N LEU A 100 5.073 19.292 -9.935 1.00 0.00 N ATOM 1512 CA LEU A 100 4.507 19.350 -11.315 1.00 0.00 C ATOM 1513 C LEU A 100 4.695 20.749 -11.906 1.00 0.00 C ATOM 1514 O LEU A 100 4.448 21.747 -11.256 1.00 0.00 O ATOM 1515 CB LEU A 100 3.021 19.030 -11.150 1.00 0.00 C ATOM 1516 CG LEU A 100 2.372 18.864 -12.530 1.00 0.00 C ATOM 1517 CD1 LEU A 100 1.749 17.471 -12.642 1.00 0.00 C ATOM 1518 CD2 LEU A 100 1.282 19.924 -12.714 1.00 0.00 C ATOM 0 H LEU A 100 4.409 19.483 -9.185 1.00 0.00 H new ATOM 0 HA LEU A 100 4.999 18.652 -11.992 1.00 0.00 H new ATOM 0 HB2 LEU A 100 2.898 18.117 -10.567 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.526 19.829 -10.598 1.00 0.00 H new ATOM 0 HG LEU A 100 3.132 18.984 -13.302 1.00 0.00 H new ATOM 0 HD11 LEU A 100 1.289 17.356 -13.623 1.00 0.00 H new ATOM 0 HD12 LEU A 100 2.523 16.715 -12.514 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.990 17.348 -11.869 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.821 19.806 -13.695 1.00 0.00 H new ATOM 0 HD22 LEU A 100 0.524 19.804 -11.940 1.00 0.00 H new ATOM 0 HD23 LEU A 100 1.724 20.917 -12.638 1.00 0.00 H new ATOM 1530 N VAL A 101 5.132 20.829 -13.134 1.00 0.00 N ATOM 1531 CA VAL A 101 5.339 22.162 -13.771 1.00 0.00 C ATOM 1532 C VAL A 101 5.102 22.066 -15.282 1.00 0.00 C ATOM 1533 O VAL A 101 5.697 21.252 -15.962 1.00 0.00 O ATOM 1534 CB VAL A 101 6.796 22.523 -13.469 1.00 0.00 C ATOM 1535 CG1 VAL A 101 7.728 21.481 -14.092 1.00 0.00 C ATOM 1536 CG2 VAL A 101 7.112 23.903 -14.052 1.00 0.00 C ATOM 0 H VAL A 101 5.355 20.028 -13.724 1.00 0.00 H new ATOM 0 HA VAL A 101 4.650 22.917 -13.392 1.00 0.00 H new ATOM 0 HB VAL A 101 6.945 22.540 -12.389 1.00 0.00 H new ATOM 0 HG11 VAL A 101 8.764 21.743 -13.874 1.00 0.00 H new ATOM 0 HG12 VAL A 101 7.506 20.499 -13.675 1.00 0.00 H new ATOM 0 HG13 VAL A 101 7.579 21.459 -15.172 1.00 0.00 H new ATOM 0 HG21 VAL A 101 8.149 24.160 -13.837 1.00 0.00 H new ATOM 0 HG22 VAL A 101 6.959 23.886 -15.131 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.453 24.647 -13.604 1.00 0.00 H new ATOM 1546 N ILE A 102 4.238 22.892 -15.811 1.00 0.00 N ATOM 1547 CA ILE A 102 3.962 22.847 -17.278 1.00 0.00 C ATOM 1548 C ILE A 102 4.803 23.901 -18.007 1.00 0.00 C ATOM 1549 O ILE A 102 4.855 25.050 -17.611 1.00 0.00 O ATOM 1550 CB ILE A 102 2.465 23.151 -17.421 1.00 0.00 C ATOM 1551 CG1 ILE A 102 2.178 24.587 -16.968 1.00 0.00 C ATOM 1552 CG2 ILE A 102 1.654 22.175 -16.564 1.00 0.00 C ATOM 1553 CD1 ILE A 102 2.185 25.514 -18.184 1.00 0.00 C ATOM 0 H ILE A 102 3.712 23.595 -15.292 1.00 0.00 H new ATOM 0 HA ILE A 102 4.217 21.881 -17.714 1.00 0.00 H new ATOM 0 HB ILE A 102 2.179 23.039 -18.467 1.00 0.00 H new ATOM 0 HG12 ILE A 102 1.212 24.635 -16.466 1.00 0.00 H new ATOM 0 HG13 ILE A 102 2.929 24.909 -16.247 1.00 0.00 H new ATOM 0 HG21 ILE A 102 0.592 22.395 -16.669 1.00 0.00 H new ATOM 0 HG22 ILE A 102 1.848 21.154 -16.893 1.00 0.00 H new ATOM 0 HG23 ILE A 102 1.945 22.280 -15.519 1.00 0.00 H new ATOM 0 HD11 ILE A 102 1.981 26.536 -17.864 1.00 0.00 H new ATOM 0 HD12 ILE A 102 3.161 25.473 -18.667 1.00 0.00 H new ATOM 0 HD13 ILE A 102 1.418 25.195 -18.889 1.00 0.00 H new