USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=15 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 38 LYS NZ :NH3+ -164:sc= 0 (180deg=0) USER MOD Set 1.2: A 99 HIS : no HD1:sc= -0.031 X(o=-0.031,f=-0.46) 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 92:sc= 0.331 USER MOD Single : A 39 THR OG1 : rot 171:sc= 1.42 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= -2.45 K(o=-2.5,f=-8.9!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.173 K(o=-0.17,f=-2.1!) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 58 LYS NZ :NH3+ 158:sc= -0.0265 (180deg=-0.518) USER MOD Single : A 62 SER OG : rot -103:sc= 0.0233 USER MOD Single : A 63 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.143) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0.346 USER MOD Single : A 68 GLN :FLIP amide:sc= -0.254 F(o=-1.1,f=-0.25) USER MOD Single : A 69 THR OG1 : rot -24:sc= 0.277! USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -126:sc= 0.0805 (180deg=-0.00255) USER MOD Single : A 84 GLN : amide:sc= -1.47 K(o=-1.5,f=-6.4!) USER MOD Single : A 86 THR OG1 : rot -92:sc= -2.52 USER MOD Single : A 89 GLN : amide:sc=-0.00788 X(o=-0.0079,f=0) USER MOD Single : A 90 HIS : no HE2:sc= -2.37 K(o=-2.4,f=-3.6!) USER MOD Single : A 93 HIS : no HD1:sc= -0.149 X(o=-0.15,f=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 380 N LYS A 31 6.154 -5.451 -10.239 1.00 0.00 N ATOM 381 CA LYS A 31 7.018 -4.601 -9.366 1.00 0.00 C ATOM 382 C LYS A 31 6.463 -3.178 -9.381 1.00 0.00 C ATOM 383 O LYS A 31 7.186 -2.209 -9.490 1.00 0.00 O ATOM 384 CB LYS A 31 8.408 -4.650 -10.003 1.00 0.00 C ATOM 385 CG LYS A 31 9.466 -4.335 -8.945 1.00 0.00 C ATOM 386 CD LYS A 31 9.933 -5.634 -8.287 1.00 0.00 C ATOM 387 CE LYS A 31 11.285 -5.407 -7.608 1.00 0.00 C ATOM 388 NZ LYS A 31 10.955 -5.120 -6.184 1.00 0.00 N ATOM 0 HA LYS A 31 7.052 -4.940 -8.330 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.589 -5.636 -10.431 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.471 -3.931 -10.820 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.312 -3.822 -9.403 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.054 -3.662 -8.193 1.00 0.00 H new ATOM 0 HD2 LYS A 31 9.198 -5.967 -7.554 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.018 -6.422 -9.035 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.924 -6.286 -7.696 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.822 -4.575 -8.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 11.832 -4.953 -5.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 10.351 -4.275 -6.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 10.450 -5.932 -5.774 1.00 0.00 H new ATOM 402 N ILE A 32 5.163 -3.065 -9.315 1.00 0.00 N ATOM 403 CA ILE A 32 4.522 -1.726 -9.372 1.00 0.00 C ATOM 404 C ILE A 32 5.038 -0.829 -8.241 1.00 0.00 C ATOM 405 O ILE A 32 4.741 -1.042 -7.082 1.00 0.00 O ATOM 406 CB ILE A 32 3.023 -1.997 -9.206 1.00 0.00 C ATOM 407 CG1 ILE A 32 2.512 -2.796 -10.413 1.00 0.00 C ATOM 408 CG2 ILE A 32 2.264 -0.669 -9.121 1.00 0.00 C ATOM 409 CD1 ILE A 32 2.259 -4.249 -9.999 1.00 0.00 C ATOM 0 H ILE A 32 4.517 -3.849 -9.224 1.00 0.00 H new ATOM 0 HA ILE A 32 4.744 -1.206 -10.304 1.00 0.00 H new ATOM 0 HB ILE A 32 2.860 -2.567 -8.292 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.593 -2.351 -10.794 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.242 -2.760 -11.221 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.198 -0.866 -9.003 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.624 -0.098 -8.265 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.428 -0.097 -10.034 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.896 -4.814 -10.858 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.188 -4.692 -9.639 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.513 -4.276 -9.205 1.00 0.00 H new ATOM 421 N ILE A 33 5.808 0.174 -8.574 1.00 0.00 N ATOM 422 CA ILE A 33 6.345 1.089 -7.521 1.00 0.00 C ATOM 423 C ILE A 33 5.367 2.242 -7.276 1.00 0.00 C ATOM 424 O ILE A 33 4.372 2.381 -7.962 1.00 0.00 O ATOM 425 CB ILE A 33 7.678 1.605 -8.068 1.00 0.00 C ATOM 426 CG1 ILE A 33 7.425 2.489 -9.303 1.00 0.00 C ATOM 427 CG2 ILE A 33 8.560 0.405 -8.441 1.00 0.00 C ATOM 428 CD1 ILE A 33 8.669 2.528 -10.188 1.00 0.00 C ATOM 0 H ILE A 33 6.088 0.400 -9.528 1.00 0.00 H new ATOM 0 HA ILE A 33 6.479 0.583 -6.565 1.00 0.00 H new ATOM 0 HB ILE A 33 8.185 2.204 -7.312 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.579 2.101 -9.870 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.162 3.499 -8.989 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.513 0.761 -8.832 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.737 -0.206 -7.556 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.057 -0.194 -9.200 1.00 0.00 H new ATOM 0 HD11 ILE A 33 8.477 3.156 -11.058 1.00 0.00 H new ATOM 0 HD12 ILE A 33 9.506 2.938 -9.622 1.00 0.00 H new ATOM 0 HD13 ILE A 33 8.913 1.518 -10.517 1.00 0.00 H new ATOM 440 N LYS A 34 5.643 3.065 -6.301 1.00 0.00 N ATOM 441 CA LYS A 34 4.731 4.207 -6.003 1.00 0.00 C ATOM 442 C LYS A 34 5.390 5.532 -6.396 1.00 0.00 C ATOM 443 O LYS A 34 6.585 5.706 -6.260 1.00 0.00 O ATOM 444 CB LYS A 34 4.504 4.149 -4.489 1.00 0.00 C ATOM 445 CG LYS A 34 3.012 3.958 -4.199 1.00 0.00 C ATOM 446 CD LYS A 34 2.839 3.000 -3.017 1.00 0.00 C ATOM 447 CE LYS A 34 2.664 1.572 -3.540 1.00 0.00 C ATOM 448 NZ LYS A 34 1.852 0.881 -2.500 1.00 0.00 N ATOM 0 H LYS A 34 6.462 2.996 -5.697 1.00 0.00 H new ATOM 0 HA LYS A 34 3.796 4.142 -6.559 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.077 3.328 -4.057 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.861 5.067 -4.022 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.549 4.918 -3.973 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.508 3.560 -5.080 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.707 3.055 -2.361 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.972 3.290 -2.423 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.159 1.564 -4.506 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.627 1.081 -3.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.689 -0.106 -2.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.361 0.899 -1.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.938 1.366 -2.394 1.00 0.00 H new ATOM 462 N VAL A 35 4.617 6.468 -6.878 1.00 0.00 N ATOM 463 CA VAL A 35 5.195 7.787 -7.273 1.00 0.00 C ATOM 464 C VAL A 35 4.298 8.924 -6.773 1.00 0.00 C ATOM 465 O VAL A 35 3.174 9.080 -7.211 1.00 0.00 O ATOM 466 CB VAL A 35 5.247 7.760 -8.805 1.00 0.00 C ATOM 467 CG1 VAL A 35 3.837 7.578 -9.375 1.00 0.00 C ATOM 468 CG2 VAL A 35 5.838 9.078 -9.315 1.00 0.00 C ATOM 0 H VAL A 35 3.610 6.377 -7.016 1.00 0.00 H new ATOM 0 HA VAL A 35 6.183 7.954 -6.843 1.00 0.00 H new ATOM 0 HB VAL A 35 5.871 6.927 -9.128 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.884 7.560 -10.464 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.417 6.639 -9.014 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.205 8.405 -9.053 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.876 9.062 -10.404 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.213 9.908 -8.986 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.846 9.203 -8.918 1.00 0.00 H new ATOM 478 N THR A 36 4.784 9.717 -5.857 1.00 0.00 N ATOM 479 CA THR A 36 3.960 10.842 -5.325 1.00 0.00 C ATOM 480 C THR A 36 4.075 12.063 -6.241 1.00 0.00 C ATOM 481 O THR A 36 5.065 12.768 -6.231 1.00 0.00 O ATOM 482 CB THR A 36 4.542 11.147 -3.942 1.00 0.00 C ATOM 483 OG1 THR A 36 4.863 9.928 -3.286 1.00 0.00 O ATOM 484 CG2 THR A 36 3.515 11.921 -3.114 1.00 0.00 C ATOM 0 H THR A 36 5.717 9.635 -5.453 1.00 0.00 H new ATOM 0 HA THR A 36 2.902 10.587 -5.271 1.00 0.00 H new ATOM 0 HB THR A 36 5.444 11.749 -4.051 1.00 0.00 H new ATOM 0 HG1 THR A 36 5.796 9.693 -3.470 1.00 0.00 H new ATOM 0 HG21 THR A 36 3.930 12.138 -2.130 1.00 0.00 H new ATOM 0 HG22 THR A 36 3.271 12.856 -3.619 1.00 0.00 H new ATOM 0 HG23 THR A 36 2.611 11.322 -3.003 1.00 0.00 H new ATOM 492 N VAL A 37 3.066 12.318 -7.031 1.00 0.00 N ATOM 493 CA VAL A 37 3.110 13.493 -7.948 1.00 0.00 C ATOM 494 C VAL A 37 2.426 14.695 -7.292 1.00 0.00 C ATOM 495 O VAL A 37 1.309 14.604 -6.817 1.00 0.00 O ATOM 496 CB VAL A 37 2.343 13.054 -9.197 1.00 0.00 C ATOM 497 CG1 VAL A 37 2.315 14.198 -10.215 1.00 0.00 C ATOM 498 CG2 VAL A 37 3.036 11.839 -9.821 1.00 0.00 C ATOM 0 H VAL A 37 2.212 11.762 -7.080 1.00 0.00 H new ATOM 0 HA VAL A 37 4.130 13.795 -8.185 1.00 0.00 H new ATOM 0 HB VAL A 37 1.323 12.792 -8.918 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.768 13.881 -11.103 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.822 15.065 -9.775 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.335 14.463 -10.493 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.490 11.526 -10.711 1.00 0.00 H new ATOM 0 HG22 VAL A 37 4.057 12.104 -10.096 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.055 11.021 -9.101 1.00 0.00 H new ATOM 508 N LYS A 38 3.089 15.820 -7.262 1.00 0.00 N ATOM 509 CA LYS A 38 2.481 17.031 -6.637 1.00 0.00 C ATOM 510 C LYS A 38 1.940 17.966 -7.721 1.00 0.00 C ATOM 511 O LYS A 38 2.663 18.400 -8.596 1.00 0.00 O ATOM 512 CB LYS A 38 3.625 17.699 -5.874 1.00 0.00 C ATOM 513 CG LYS A 38 3.056 18.727 -4.896 1.00 0.00 C ATOM 514 CD LYS A 38 4.057 19.869 -4.714 1.00 0.00 C ATOM 515 CE LYS A 38 5.310 19.345 -4.010 1.00 0.00 C ATOM 516 NZ LYS A 38 6.196 20.533 -3.868 1.00 0.00 N ATOM 0 H LYS A 38 4.026 15.953 -7.643 1.00 0.00 H new ATOM 0 HA LYS A 38 1.645 16.785 -5.982 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.203 16.949 -5.334 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.307 18.184 -6.572 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.109 19.116 -5.271 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.849 18.255 -3.936 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.322 20.292 -5.683 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.607 20.671 -4.129 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.067 18.916 -3.038 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.792 18.560 -4.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.164 20.220 -3.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.199 21.072 -4.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.846 21.137 -3.098 1.00 0.00 H new ATOM 530 N THR A 39 0.674 18.278 -7.669 1.00 0.00 N ATOM 531 CA THR A 39 0.080 19.185 -8.695 1.00 0.00 C ATOM 532 C THR A 39 -0.496 20.434 -8.018 1.00 0.00 C ATOM 533 O THR A 39 -0.630 20.471 -6.811 1.00 0.00 O ATOM 534 CB THR A 39 -1.031 18.360 -9.349 1.00 0.00 C ATOM 535 OG1 THR A 39 -1.726 17.628 -8.348 1.00 0.00 O ATOM 536 CG2 THR A 39 -0.422 17.390 -10.365 1.00 0.00 C ATOM 0 H THR A 39 0.023 17.944 -6.959 1.00 0.00 H new ATOM 0 HA THR A 39 0.812 19.530 -9.425 1.00 0.00 H new ATOM 0 HB THR A 39 -1.725 19.027 -9.861 1.00 0.00 H new ATOM 0 HG1 THR A 39 -2.528 17.221 -8.738 1.00 0.00 H new ATOM 0 HG21 THR A 39 -1.215 16.804 -10.829 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.110 17.953 -11.132 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.274 16.722 -9.858 1.00 0.00 H new ATOM 544 N PRO A 40 -0.821 21.421 -8.815 1.00 0.00 N ATOM 545 CA PRO A 40 -1.389 22.677 -8.266 1.00 0.00 C ATOM 546 C PRO A 40 -2.817 22.442 -7.762 1.00 0.00 C ATOM 547 O PRO A 40 -3.762 23.040 -8.239 1.00 0.00 O ATOM 548 CB PRO A 40 -1.378 23.630 -9.459 1.00 0.00 C ATOM 549 CG PRO A 40 -1.403 22.741 -10.662 1.00 0.00 C ATOM 550 CD PRO A 40 -0.697 21.467 -10.279 1.00 0.00 C ATOM 0 HA PRO A 40 -0.829 23.066 -7.416 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -2.241 24.295 -9.441 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.489 24.261 -9.452 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.428 22.537 -10.970 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -0.906 23.219 -11.506 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -1.159 20.598 -10.747 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.347 21.479 -10.591 1.00 0.00 H new ATOM 558 N LYS A 41 -2.977 21.573 -6.799 1.00 0.00 N ATOM 559 CA LYS A 41 -4.335 21.288 -6.251 1.00 0.00 C ATOM 560 C LYS A 41 -4.219 20.336 -5.058 1.00 0.00 C ATOM 561 O LYS A 41 -4.811 20.551 -4.019 1.00 0.00 O ATOM 562 CB LYS A 41 -5.100 20.618 -7.395 1.00 0.00 C ATOM 563 CG LYS A 41 -6.580 21.000 -7.312 1.00 0.00 C ATOM 564 CD LYS A 41 -6.863 22.175 -8.253 1.00 0.00 C ATOM 565 CE LYS A 41 -7.500 23.324 -7.465 1.00 0.00 C ATOM 566 NZ LYS A 41 -8.967 23.146 -7.645 1.00 0.00 N ATOM 0 H LYS A 41 -2.219 21.045 -6.366 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.840 22.189 -5.903 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.686 20.929 -8.354 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.989 19.535 -7.336 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.202 20.147 -7.583 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.839 21.271 -6.288 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.937 22.511 -8.720 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.529 21.859 -9.056 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.223 23.281 -6.412 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.170 24.292 -7.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -9.473 23.897 -7.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.201 23.198 -8.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.253 22.219 -7.271 1.00 0.00 H new ATOM 580 N GLU A 42 -3.454 19.287 -5.204 1.00 0.00 N ATOM 581 CA GLU A 42 -3.287 18.314 -4.084 1.00 0.00 C ATOM 582 C GLU A 42 -2.199 17.293 -4.432 1.00 0.00 C ATOM 583 O GLU A 42 -1.649 17.304 -5.517 1.00 0.00 O ATOM 584 CB GLU A 42 -4.645 17.624 -3.947 1.00 0.00 C ATOM 585 CG GLU A 42 -4.960 17.408 -2.466 1.00 0.00 C ATOM 586 CD GLU A 42 -6.438 17.048 -2.305 1.00 0.00 C ATOM 587 OE1 GLU A 42 -6.962 16.376 -3.178 1.00 0.00 O ATOM 588 OE2 GLU A 42 -7.020 17.450 -1.311 1.00 0.00 O ATOM 0 H GLU A 42 -2.936 19.061 -6.053 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.984 18.801 -3.157 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.422 18.232 -4.410 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.634 16.668 -4.471 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.335 16.611 -2.063 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.731 18.310 -1.899 1.00 0.00 H new ATOM 595 N LYS A 43 -1.889 16.410 -3.521 1.00 0.00 N ATOM 596 CA LYS A 43 -0.840 15.384 -3.797 1.00 0.00 C ATOM 597 C LYS A 43 -1.487 14.008 -3.964 1.00 0.00 C ATOM 598 O LYS A 43 -2.252 13.567 -3.129 1.00 0.00 O ATOM 599 CB LYS A 43 0.069 15.406 -2.567 1.00 0.00 C ATOM 600 CG LYS A 43 1.310 16.254 -2.859 1.00 0.00 C ATOM 601 CD LYS A 43 1.567 17.206 -1.689 1.00 0.00 C ATOM 602 CE LYS A 43 0.752 18.486 -1.884 1.00 0.00 C ATOM 603 NZ LYS A 43 1.229 19.411 -0.820 1.00 0.00 N ATOM 0 H LYS A 43 -2.317 16.354 -2.597 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.287 15.590 -4.713 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.470 15.814 -1.712 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.364 14.391 -2.303 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.175 15.609 -3.014 1.00 0.00 H new ATOM 0 HG3 LYS A 43 1.167 16.822 -3.778 1.00 0.00 H new ATOM 0 HD2 LYS A 43 1.292 16.727 -0.749 1.00 0.00 H new ATOM 0 HD3 LYS A 43 2.629 17.444 -1.627 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.912 18.909 -2.876 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.316 18.292 -1.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.716 20.313 -0.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.057 18.985 0.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.248 19.582 -0.940 1.00 0.00 H new ATOM 617 N GLU A 44 -1.189 13.326 -5.039 1.00 0.00 N ATOM 618 CA GLU A 44 -1.793 11.979 -5.257 1.00 0.00 C ATOM 619 C GLU A 44 -0.726 10.981 -5.712 1.00 0.00 C ATOM 620 O GLU A 44 0.040 11.246 -6.618 1.00 0.00 O ATOM 621 CB GLU A 44 -2.835 12.187 -6.357 1.00 0.00 C ATOM 622 CG GLU A 44 -4.210 12.405 -5.724 1.00 0.00 C ATOM 623 CD GLU A 44 -4.910 11.056 -5.545 1.00 0.00 C ATOM 624 OE1 GLU A 44 -5.154 10.401 -6.545 1.00 0.00 O ATOM 625 OE2 GLU A 44 -5.189 10.701 -4.412 1.00 0.00 O ATOM 0 H GLU A 44 -0.555 13.643 -5.773 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.233 11.574 -4.346 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.565 13.047 -6.970 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.860 11.320 -7.017 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.103 12.902 -4.760 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.813 13.059 -6.355 1.00 0.00 H new ATOM 632 N GLU A 45 -0.676 9.833 -5.092 1.00 0.00 N ATOM 633 CA GLU A 45 0.336 8.811 -5.488 1.00 0.00 C ATOM 634 C GLU A 45 -0.196 7.976 -6.655 1.00 0.00 C ATOM 635 O GLU A 45 -1.387 7.772 -6.791 1.00 0.00 O ATOM 636 CB GLU A 45 0.526 7.939 -4.248 1.00 0.00 C ATOM 637 CG GLU A 45 1.630 8.534 -3.371 1.00 0.00 C ATOM 638 CD GLU A 45 1.801 7.679 -2.112 1.00 0.00 C ATOM 639 OE1 GLU A 45 0.812 7.136 -1.650 1.00 0.00 O ATOM 640 OE2 GLU A 45 2.919 7.584 -1.633 1.00 0.00 O ATOM 0 H GLU A 45 -1.293 9.558 -4.328 1.00 0.00 H new ATOM 0 HA GLU A 45 1.274 9.260 -5.815 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.406 7.878 -3.687 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.788 6.923 -4.542 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.567 8.574 -3.926 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.378 9.558 -3.096 1.00 0.00 H new ATOM 647 N PHE A 46 0.676 7.492 -7.500 1.00 0.00 N ATOM 648 CA PHE A 46 0.218 6.674 -8.657 1.00 0.00 C ATOM 649 C PHE A 46 0.967 5.339 -8.690 1.00 0.00 C ATOM 650 O PHE A 46 2.181 5.300 -8.747 1.00 0.00 O ATOM 651 CB PHE A 46 0.557 7.508 -9.893 1.00 0.00 C ATOM 652 CG PHE A 46 -0.671 8.256 -10.355 1.00 0.00 C ATOM 653 CD1 PHE A 46 -1.622 7.614 -11.156 1.00 0.00 C ATOM 654 CD2 PHE A 46 -0.855 9.594 -9.986 1.00 0.00 C ATOM 655 CE1 PHE A 46 -2.758 8.310 -11.588 1.00 0.00 C ATOM 656 CE2 PHE A 46 -1.991 10.289 -10.418 1.00 0.00 C ATOM 657 CZ PHE A 46 -2.942 9.647 -11.218 1.00 0.00 C ATOM 0 H PHE A 46 1.685 7.629 -7.437 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.845 6.441 -8.602 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.357 8.211 -9.661 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.922 6.861 -10.691 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -1.480 6.582 -11.441 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -0.121 10.090 -9.368 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -3.492 7.815 -12.207 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -2.133 11.321 -10.133 1.00 0.00 H new ATOM 0 HZ PHE A 46 -3.819 10.183 -11.550 1.00 0.00 H new ATOM 667 N ALA A 47 0.251 4.248 -8.666 1.00 0.00 N ATOM 668 CA ALA A 47 0.915 2.915 -8.709 1.00 0.00 C ATOM 669 C ALA A 47 1.099 2.494 -10.166 1.00 0.00 C ATOM 670 O ALA A 47 0.152 2.440 -10.927 1.00 0.00 O ATOM 671 CB ALA A 47 -0.043 1.966 -7.988 1.00 0.00 C ATOM 0 H ALA A 47 -0.768 4.223 -8.618 1.00 0.00 H new ATOM 0 HA ALA A 47 1.899 2.917 -8.240 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.379 0.961 -7.979 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.190 2.307 -6.963 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.001 1.953 -8.507 1.00 0.00 H new ATOM 677 N VAL A 48 2.307 2.204 -10.567 1.00 0.00 N ATOM 678 CA VAL A 48 2.537 1.801 -11.981 1.00 0.00 C ATOM 679 C VAL A 48 3.616 0.719 -12.043 1.00 0.00 C ATOM 680 O VAL A 48 4.457 0.642 -11.171 1.00 0.00 O ATOM 681 CB VAL A 48 2.995 3.083 -12.684 1.00 0.00 C ATOM 682 CG1 VAL A 48 1.920 4.164 -12.525 1.00 0.00 C ATOM 683 CG2 VAL A 48 4.303 3.577 -12.056 1.00 0.00 C ATOM 0 H VAL A 48 3.140 2.229 -9.979 1.00 0.00 H new ATOM 0 HA VAL A 48 1.648 1.383 -12.453 1.00 0.00 H new ATOM 0 HB VAL A 48 3.155 2.875 -13.742 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.245 5.077 -13.025 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.988 3.818 -12.971 1.00 0.00 H new ATOM 0 HG13 VAL A 48 1.762 4.367 -11.466 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.626 4.489 -12.558 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.143 3.783 -10.998 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.071 2.811 -12.165 1.00 0.00 H new ATOM 693 N PRO A 49 3.556 -0.089 -13.069 1.00 0.00 N ATOM 694 CA PRO A 49 4.544 -1.182 -13.223 1.00 0.00 C ATOM 695 C PRO A 49 5.936 -0.617 -13.508 1.00 0.00 C ATOM 696 O PRO A 49 6.139 0.115 -14.457 1.00 0.00 O ATOM 697 CB PRO A 49 4.013 -1.987 -14.406 1.00 0.00 C ATOM 698 CG PRO A 49 3.170 -1.023 -15.177 1.00 0.00 C ATOM 699 CD PRO A 49 2.587 -0.064 -14.173 1.00 0.00 C ATOM 0 HA PRO A 49 4.653 -1.790 -12.325 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.827 -2.376 -15.017 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.428 -2.844 -14.071 1.00 0.00 H new ATOM 0 HG2 PRO A 49 3.768 -0.492 -15.918 1.00 0.00 H new ATOM 0 HG3 PRO A 49 2.381 -1.545 -15.718 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.480 0.937 -14.590 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.597 -0.380 -13.845 1.00 0.00 H new ATOM 707 N GLU A 50 6.885 -0.953 -12.670 1.00 0.00 N ATOM 708 CA GLU A 50 8.293 -0.458 -12.834 1.00 0.00 C ATOM 709 C GLU A 50 8.659 -0.230 -14.307 1.00 0.00 C ATOM 710 O GLU A 50 9.289 0.752 -14.650 1.00 0.00 O ATOM 711 CB GLU A 50 9.166 -1.572 -12.246 1.00 0.00 C ATOM 712 CG GLU A 50 9.715 -1.142 -10.882 1.00 0.00 C ATOM 713 CD GLU A 50 11.236 -1.319 -10.858 1.00 0.00 C ATOM 714 OE1 GLU A 50 11.852 -1.122 -11.892 1.00 0.00 O ATOM 715 OE2 GLU A 50 11.758 -1.649 -9.805 1.00 0.00 O ATOM 0 H GLU A 50 6.743 -1.561 -11.863 1.00 0.00 H new ATOM 0 HA GLU A 50 8.430 0.504 -12.340 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.582 -2.486 -12.140 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.989 -1.797 -12.924 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.457 -0.101 -10.687 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.258 -1.737 -10.091 1.00 0.00 H new ATOM 722 N ASN A 51 8.275 -1.125 -15.176 1.00 0.00 N ATOM 723 CA ASN A 51 8.612 -0.949 -16.621 1.00 0.00 C ATOM 724 C ASN A 51 7.549 -0.097 -17.321 1.00 0.00 C ATOM 725 O ASN A 51 7.057 -0.448 -18.376 1.00 0.00 O ATOM 726 CB ASN A 51 8.644 -2.365 -17.203 1.00 0.00 C ATOM 727 CG ASN A 51 7.283 -3.045 -17.009 1.00 0.00 C ATOM 728 OD1 ASN A 51 6.313 -2.404 -16.657 1.00 0.00 O ATOM 729 ND2 ASN A 51 7.173 -4.327 -17.227 1.00 0.00 N ATOM 0 H ASN A 51 7.745 -1.967 -14.951 1.00 0.00 H new ATOM 0 HA ASN A 51 9.563 -0.434 -16.759 1.00 0.00 H new ATOM 0 HB2 ASN A 51 8.891 -2.325 -18.264 1.00 0.00 H new ATOM 0 HB3 ASN A 51 9.424 -2.950 -16.715 1.00 0.00 H new ATOM 0 HD21 ASN A 51 6.273 -4.790 -17.102 1.00 0.00 H new ATOM 0 HD22 ASN A 51 7.987 -4.866 -17.523 1.00 0.00 H new ATOM 736 N SER A 52 7.197 1.021 -16.746 1.00 0.00 N ATOM 737 CA SER A 52 6.172 1.900 -17.377 1.00 0.00 C ATOM 738 C SER A 52 6.812 3.217 -17.824 1.00 0.00 C ATOM 739 O SER A 52 7.157 4.055 -17.015 1.00 0.00 O ATOM 740 CB SER A 52 5.139 2.154 -16.281 1.00 0.00 C ATOM 741 OG SER A 52 4.126 3.018 -16.780 1.00 0.00 O ATOM 0 H SER A 52 7.577 1.364 -15.864 1.00 0.00 H new ATOM 0 HA SER A 52 5.725 1.445 -18.261 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.700 1.211 -15.954 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.618 2.602 -15.410 1.00 0.00 H new ATOM 0 HG SER A 52 3.461 3.181 -16.079 1.00 0.00 H new ATOM 747 N SER A 53 6.971 3.405 -19.107 1.00 0.00 N ATOM 748 CA SER A 53 7.588 4.670 -19.606 1.00 0.00 C ATOM 749 C SER A 53 6.750 5.872 -19.164 1.00 0.00 C ATOM 750 O SER A 53 5.547 5.781 -19.018 1.00 0.00 O ATOM 751 CB SER A 53 7.582 4.543 -21.129 1.00 0.00 C ATOM 752 OG SER A 53 8.444 3.480 -21.516 1.00 0.00 O ATOM 0 H SER A 53 6.701 2.739 -19.831 1.00 0.00 H new ATOM 0 HA SER A 53 8.595 4.821 -19.216 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.570 4.353 -21.485 1.00 0.00 H new ATOM 0 HB3 SER A 53 7.911 5.477 -21.585 1.00 0.00 H new ATOM 0 HG SER A 53 8.441 3.395 -22.492 1.00 0.00 H new ATOM 758 N VAL A 54 7.378 6.996 -18.944 1.00 0.00 N ATOM 759 CA VAL A 54 6.616 8.200 -18.506 1.00 0.00 C ATOM 760 C VAL A 54 5.624 8.636 -19.583 1.00 0.00 C ATOM 761 O VAL A 54 4.567 9.127 -19.278 1.00 0.00 O ATOM 762 CB VAL A 54 7.653 9.291 -18.252 1.00 0.00 C ATOM 763 CG1 VAL A 54 6.941 10.574 -17.798 1.00 0.00 C ATOM 764 CG2 VAL A 54 8.618 8.825 -17.157 1.00 0.00 C ATOM 0 H VAL A 54 8.383 7.132 -19.048 1.00 0.00 H new ATOM 0 HA VAL A 54 6.033 7.993 -17.609 1.00 0.00 H new ATOM 0 HB VAL A 54 8.210 9.490 -19.168 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.679 11.355 -17.616 1.00 0.00 H new ATOM 0 HG12 VAL A 54 6.251 10.902 -18.575 1.00 0.00 H new ATOM 0 HG13 VAL A 54 6.387 10.377 -16.880 1.00 0.00 H new ATOM 0 HG21 VAL A 54 9.361 9.601 -16.972 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.061 8.630 -16.240 1.00 0.00 H new ATOM 0 HG23 VAL A 54 9.120 7.912 -17.478 1.00 0.00 H new ATOM 774 N GLN A 55 5.958 8.486 -20.836 1.00 0.00 N ATOM 775 CA GLN A 55 5.014 8.921 -21.915 1.00 0.00 C ATOM 776 C GLN A 55 3.602 8.373 -21.655 1.00 0.00 C ATOM 777 O GLN A 55 2.620 9.081 -21.782 1.00 0.00 O ATOM 778 CB GLN A 55 5.587 8.330 -23.204 1.00 0.00 C ATOM 779 CG GLN A 55 4.854 8.927 -24.408 1.00 0.00 C ATOM 780 CD GLN A 55 5.791 8.958 -25.617 1.00 0.00 C ATOM 781 OE1 GLN A 55 6.883 8.424 -25.573 1.00 0.00 O ATOM 782 NE2 GLN A 55 5.409 9.567 -26.707 1.00 0.00 N ATOM 0 H GLN A 55 6.837 8.084 -21.162 1.00 0.00 H new ATOM 0 HA GLN A 55 4.924 10.006 -21.964 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.654 8.543 -23.272 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.478 7.245 -23.199 1.00 0.00 H new ATOM 0 HG2 GLN A 55 3.968 8.335 -24.637 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.512 9.935 -24.175 1.00 0.00 H new ATOM 0 HE21 GLN A 55 4.494 10.016 -26.747 1.00 0.00 H new ATOM 0 HE22 GLN A 55 6.026 9.594 -27.519 1.00 0.00 H new ATOM 791 N GLN A 56 3.494 7.126 -21.279 1.00 0.00 N ATOM 792 CA GLN A 56 2.147 6.541 -21.003 1.00 0.00 C ATOM 793 C GLN A 56 1.563 7.137 -19.717 1.00 0.00 C ATOM 794 O GLN A 56 0.462 7.652 -19.703 1.00 0.00 O ATOM 795 CB GLN A 56 2.392 5.041 -20.836 1.00 0.00 C ATOM 796 CG GLN A 56 2.752 4.429 -22.191 1.00 0.00 C ATOM 797 CD GLN A 56 3.106 2.952 -22.007 1.00 0.00 C ATOM 798 OE1 GLN A 56 4.164 2.627 -21.505 1.00 0.00 O ATOM 799 NE2 GLN A 56 2.260 2.038 -22.397 1.00 0.00 N ATOM 0 H GLN A 56 4.279 6.487 -21.151 1.00 0.00 H new ATOM 0 HA GLN A 56 1.435 6.751 -21.801 1.00 0.00 H new ATOM 0 HB2 GLN A 56 3.198 4.871 -20.122 1.00 0.00 H new ATOM 0 HB3 GLN A 56 1.502 4.559 -20.432 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.915 4.530 -22.881 1.00 0.00 H new ATOM 0 HG3 GLN A 56 3.594 4.963 -22.631 1.00 0.00 H new ATOM 0 HE21 GLN A 56 1.372 2.311 -22.818 1.00 0.00 H new ATOM 0 HE22 GLN A 56 2.487 1.050 -22.281 1.00 0.00 H new ATOM 808 N PHE A 57 2.299 7.076 -18.638 1.00 0.00 N ATOM 809 CA PHE A 57 1.799 7.641 -17.348 1.00 0.00 C ATOM 810 C PHE A 57 1.517 9.141 -17.503 1.00 0.00 C ATOM 811 O PHE A 57 0.576 9.670 -16.944 1.00 0.00 O ATOM 812 CB PHE A 57 2.935 7.403 -16.347 1.00 0.00 C ATOM 813 CG PHE A 57 2.627 8.107 -15.045 1.00 0.00 C ATOM 814 CD1 PHE A 57 1.413 7.867 -14.391 1.00 0.00 C ATOM 815 CD2 PHE A 57 3.553 9.002 -14.496 1.00 0.00 C ATOM 816 CE1 PHE A 57 1.127 8.520 -13.186 1.00 0.00 C ATOM 817 CE2 PHE A 57 3.267 9.656 -13.293 1.00 0.00 C ATOM 818 CZ PHE A 57 2.052 9.415 -12.638 1.00 0.00 C ATOM 0 H PHE A 57 3.228 6.658 -18.594 1.00 0.00 H new ATOM 0 HA PHE A 57 0.868 7.177 -17.023 1.00 0.00 H new ATOM 0 HB2 PHE A 57 3.060 6.334 -16.172 1.00 0.00 H new ATOM 0 HB3 PHE A 57 3.876 7.771 -16.756 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.697 7.179 -14.816 1.00 0.00 H new ATOM 0 HD2 PHE A 57 4.489 9.188 -15.002 1.00 0.00 H new ATOM 0 HE1 PHE A 57 0.192 8.333 -12.679 1.00 0.00 H new ATOM 0 HE2 PHE A 57 3.982 10.346 -12.870 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.830 9.920 -11.710 1.00 0.00 H new ATOM 828 N LYS A 58 2.336 9.822 -18.255 1.00 0.00 N ATOM 829 CA LYS A 58 2.142 11.286 -18.455 1.00 0.00 C ATOM 830 C LYS A 58 0.751 11.549 -19.034 1.00 0.00 C ATOM 831 O LYS A 58 0.054 12.453 -18.616 1.00 0.00 O ATOM 832 CB LYS A 58 3.221 11.701 -19.458 1.00 0.00 C ATOM 833 CG LYS A 58 4.443 12.229 -18.705 1.00 0.00 C ATOM 834 CD LYS A 58 4.305 13.739 -18.504 1.00 0.00 C ATOM 835 CE LYS A 58 3.623 14.019 -17.162 1.00 0.00 C ATOM 836 NZ LYS A 58 2.251 14.476 -17.516 1.00 0.00 N ATOM 0 H LYS A 58 3.138 9.424 -18.744 1.00 0.00 H new ATOM 0 HA LYS A 58 2.219 11.845 -17.522 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.503 10.850 -20.078 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.834 12.469 -20.128 1.00 0.00 H new ATOM 0 HG2 LYS A 58 4.533 11.730 -17.740 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.352 12.007 -19.264 1.00 0.00 H new ATOM 0 HD2 LYS A 58 5.287 14.211 -18.529 1.00 0.00 H new ATOM 0 HD3 LYS A 58 3.722 14.172 -19.317 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.593 13.124 -16.540 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.160 14.782 -16.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.617 14.333 -16.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 2.274 15.486 -17.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 1.902 13.929 -18.329 1.00 0.00 H new ATOM 850 N GLU A 59 0.340 10.755 -19.986 1.00 0.00 N ATOM 851 CA GLU A 59 -1.012 10.944 -20.585 1.00 0.00 C ATOM 852 C GLU A 59 -2.086 10.420 -19.626 1.00 0.00 C ATOM 853 O GLU A 59 -3.241 10.789 -19.711 1.00 0.00 O ATOM 854 CB GLU A 59 -0.994 10.123 -21.875 1.00 0.00 C ATOM 855 CG GLU A 59 -0.468 10.986 -23.024 1.00 0.00 C ATOM 856 CD GLU A 59 -1.169 10.587 -24.325 1.00 0.00 C ATOM 857 OE1 GLU A 59 -1.341 9.400 -24.542 1.00 0.00 O ATOM 858 OE2 GLU A 59 -1.522 11.478 -25.081 1.00 0.00 O ATOM 0 H GLU A 59 0.882 9.984 -20.375 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.239 11.993 -20.777 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -0.363 9.243 -21.749 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -1.998 9.766 -22.105 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -0.645 12.040 -22.812 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.610 10.858 -23.125 1.00 0.00 H new ATOM 865 N ALA A 60 -1.711 9.561 -18.712 1.00 0.00 N ATOM 866 CA ALA A 60 -2.707 9.013 -17.743 1.00 0.00 C ATOM 867 C ALA A 60 -3.261 10.136 -16.861 1.00 0.00 C ATOM 868 O ALA A 60 -4.442 10.193 -16.583 1.00 0.00 O ATOM 869 CB ALA A 60 -1.928 8.004 -16.899 1.00 0.00 C ATOM 0 H ALA A 60 -0.758 9.216 -18.595 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.559 8.553 -18.244 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.593 7.556 -16.161 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.525 7.224 -17.545 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.109 8.512 -16.389 1.00 0.00 H new ATOM 875 N ILE A 61 -2.413 11.029 -16.420 1.00 0.00 N ATOM 876 CA ILE A 61 -2.890 12.150 -15.555 1.00 0.00 C ATOM 877 C ILE A 61 -3.927 12.989 -16.309 1.00 0.00 C ATOM 878 O ILE A 61 -4.864 13.500 -15.731 1.00 0.00 O ATOM 879 CB ILE A 61 -1.629 12.971 -15.242 1.00 0.00 C ATOM 880 CG1 ILE A 61 -0.764 12.197 -14.245 1.00 0.00 C ATOM 881 CG2 ILE A 61 -2.007 14.325 -14.629 1.00 0.00 C ATOM 882 CD1 ILE A 61 0.535 12.965 -13.987 1.00 0.00 C ATOM 0 H ILE A 61 -1.413 11.031 -16.621 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.376 11.802 -14.644 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.081 13.143 -16.168 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.307 12.056 -13.310 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.540 11.205 -14.636 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.102 14.893 -14.414 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.626 14.882 -15.332 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.562 14.164 -13.705 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.150 12.412 -13.277 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.080 13.083 -14.924 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.301 13.948 -13.577 1.00 0.00 H new ATOM 894 N SER A 62 -3.770 13.137 -17.595 1.00 0.00 N ATOM 895 CA SER A 62 -4.751 13.949 -18.374 1.00 0.00 C ATOM 896 C SER A 62 -6.180 13.440 -18.134 1.00 0.00 C ATOM 897 O SER A 62 -7.066 14.198 -17.794 1.00 0.00 O ATOM 898 CB SER A 62 -4.348 13.769 -19.838 1.00 0.00 C ATOM 899 OG SER A 62 -4.867 12.538 -20.327 1.00 0.00 O ATOM 0 H SER A 62 -3.008 12.733 -18.140 1.00 0.00 H new ATOM 0 HA SER A 62 -4.741 14.998 -18.079 1.00 0.00 H new ATOM 0 HB2 SER A 62 -4.728 14.598 -20.435 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.262 13.780 -19.931 1.00 0.00 H new ATOM 0 HG SER A 62 -4.148 11.873 -20.368 1.00 0.00 H new ATOM 905 N LYS A 63 -6.412 12.169 -18.324 1.00 0.00 N ATOM 906 CA LYS A 63 -7.786 11.621 -18.120 1.00 0.00 C ATOM 907 C LYS A 63 -8.194 11.642 -16.639 1.00 0.00 C ATOM 908 O LYS A 63 -9.229 12.170 -16.284 1.00 0.00 O ATOM 909 CB LYS A 63 -7.718 10.178 -18.630 1.00 0.00 C ATOM 910 CG LYS A 63 -8.401 10.085 -19.997 1.00 0.00 C ATOM 911 CD LYS A 63 -7.381 10.377 -21.099 1.00 0.00 C ATOM 912 CE LYS A 63 -8.107 10.890 -22.344 1.00 0.00 C ATOM 913 NZ LYS A 63 -8.832 9.705 -22.882 1.00 0.00 N ATOM 0 H LYS A 63 -5.711 11.486 -18.611 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.530 12.219 -18.646 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.679 9.858 -18.709 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.206 9.508 -17.922 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.827 9.091 -20.135 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.225 10.796 -20.052 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.660 11.118 -20.754 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.820 9.474 -21.339 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.798 11.696 -22.095 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.404 11.288 -23.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.185 9.918 -23.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.185 8.892 -22.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.633 9.476 -22.260 1.00 0.00 H new ATOM 927 N ARG A 64 -7.405 11.053 -15.775 1.00 0.00 N ATOM 928 CA ARG A 64 -7.775 11.025 -14.325 1.00 0.00 C ATOM 929 C ARG A 64 -7.605 12.402 -13.671 1.00 0.00 C ATOM 930 O ARG A 64 -8.523 12.929 -13.071 1.00 0.00 O ATOM 931 CB ARG A 64 -6.815 10.016 -13.693 1.00 0.00 C ATOM 932 CG ARG A 64 -7.392 9.523 -12.364 1.00 0.00 C ATOM 933 CD ARG A 64 -8.128 8.199 -12.583 1.00 0.00 C ATOM 934 NE ARG A 64 -9.224 8.196 -11.576 1.00 0.00 N ATOM 935 CZ ARG A 64 -9.773 7.070 -11.211 1.00 0.00 C ATOM 936 NH1 ARG A 64 -10.061 6.164 -12.104 1.00 0.00 N ATOM 937 NH2 ARG A 64 -10.033 6.849 -9.951 1.00 0.00 N ATOM 0 H ARG A 64 -6.525 10.593 -16.008 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.821 10.752 -14.188 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.659 9.175 -14.368 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -5.841 10.478 -13.530 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.592 9.390 -11.636 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -8.075 10.267 -11.954 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.523 8.130 -13.597 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.461 7.349 -12.443 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.546 9.075 -11.171 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -9.857 6.335 -13.089 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -10.490 5.284 -11.818 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -9.807 7.557 -9.252 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -10.462 5.969 -9.666 1.00 0.00 H new ATOM 951 N PHE A 65 -6.441 12.984 -13.776 1.00 0.00 N ATOM 952 CA PHE A 65 -6.213 14.322 -13.151 1.00 0.00 C ATOM 953 C PHE A 65 -7.024 15.400 -13.878 1.00 0.00 C ATOM 954 O PHE A 65 -7.510 16.332 -13.270 1.00 0.00 O ATOM 955 CB PHE A 65 -4.711 14.586 -13.279 1.00 0.00 C ATOM 956 CG PHE A 65 -4.137 14.879 -11.912 1.00 0.00 C ATOM 957 CD1 PHE A 65 -4.488 16.056 -11.241 1.00 0.00 C ATOM 958 CD2 PHE A 65 -3.256 13.969 -11.315 1.00 0.00 C ATOM 959 CE1 PHE A 65 -3.959 16.324 -9.974 1.00 0.00 C ATOM 960 CE2 PHE A 65 -2.726 14.237 -10.047 1.00 0.00 C ATOM 961 CZ PHE A 65 -3.079 15.414 -9.376 1.00 0.00 C ATOM 0 H PHE A 65 -5.637 12.592 -14.267 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.533 14.343 -12.109 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -4.214 13.720 -13.717 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -4.534 15.428 -13.949 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.168 16.758 -11.702 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -2.985 13.061 -11.833 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.229 17.233 -9.457 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -2.045 13.536 -9.587 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.672 15.620 -8.397 1.00 0.00 H new ATOM 971 N LYS A 66 -7.156 15.282 -15.177 1.00 0.00 N ATOM 972 CA LYS A 66 -7.923 16.299 -15.974 1.00 0.00 C ATOM 973 C LYS A 66 -7.143 17.614 -16.034 1.00 0.00 C ATOM 974 O LYS A 66 -7.419 18.547 -15.306 1.00 0.00 O ATOM 975 CB LYS A 66 -9.269 16.499 -15.259 1.00 0.00 C ATOM 976 CG LYS A 66 -9.865 15.140 -14.877 1.00 0.00 C ATOM 977 CD LYS A 66 -11.382 15.274 -14.726 1.00 0.00 C ATOM 978 CE LYS A 66 -11.700 16.105 -13.480 1.00 0.00 C ATOM 979 NZ LYS A 66 -13.065 15.676 -13.069 1.00 0.00 N ATOM 0 H LYS A 66 -6.762 14.518 -15.727 1.00 0.00 H new ATOM 0 HA LYS A 66 -8.078 15.964 -16.999 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.129 17.108 -14.366 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.959 17.039 -15.908 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -9.629 14.399 -15.641 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -9.425 14.787 -13.944 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -11.806 15.749 -15.611 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -11.839 14.288 -14.644 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -10.974 15.923 -12.688 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -11.671 17.172 -13.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -13.353 16.202 -12.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -13.736 15.868 -13.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -13.060 14.657 -12.860 1.00 0.00 H new ATOM 993 N SER A 67 -6.169 17.687 -16.902 1.00 0.00 N ATOM 994 CA SER A 67 -5.358 18.934 -17.025 1.00 0.00 C ATOM 995 C SER A 67 -4.493 18.871 -18.288 1.00 0.00 C ATOM 996 O SER A 67 -4.818 18.186 -19.238 1.00 0.00 O ATOM 997 CB SER A 67 -4.485 18.963 -15.772 1.00 0.00 C ATOM 998 OG SER A 67 -3.766 20.189 -15.729 1.00 0.00 O ATOM 0 H SER A 67 -5.899 16.933 -17.534 1.00 0.00 H new ATOM 0 HA SER A 67 -5.976 19.828 -17.107 1.00 0.00 H new ATOM 0 HB2 SER A 67 -5.104 18.860 -14.881 1.00 0.00 H new ATOM 0 HB3 SER A 67 -3.792 18.122 -15.778 1.00 0.00 H new ATOM 0 HG SER A 67 -3.206 20.212 -14.925 1.00 0.00 H new ATOM 1004 N GLN A 68 -3.392 19.576 -18.305 1.00 0.00 N ATOM 1005 CA GLN A 68 -2.507 19.549 -19.509 1.00 0.00 C ATOM 1006 C GLN A 68 -1.826 18.184 -19.629 1.00 0.00 C ATOM 1007 O GLN A 68 -2.164 17.249 -18.930 1.00 0.00 O ATOM 1008 CB GLN A 68 -1.470 20.648 -19.268 1.00 0.00 C ATOM 1009 CG GLN A 68 -1.864 21.905 -20.046 1.00 0.00 C ATOM 1010 CD GLN A 68 -1.280 23.138 -19.354 1.00 0.00 C ATOM 1011 OE1 GLN A 68 0.005 23.357 -19.413 1.00 0.00 O flip ATOM 1012 NE2 GLN A 68 -2.001 23.910 -18.754 1.00 0.00 N flip ATOM 0 H GLN A 68 -3.067 20.168 -17.540 1.00 0.00 H new ATOM 0 HA GLN A 68 -3.061 19.712 -20.433 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -1.404 20.873 -18.203 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -0.484 20.307 -19.583 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -1.497 21.842 -21.070 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -2.950 21.986 -20.101 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -3.005 23.739 -18.708 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -1.602 24.730 -18.296 1.00 0.00 H new ATOM 1021 N THR A 69 -0.869 18.061 -20.512 1.00 0.00 N ATOM 1022 CA THR A 69 -0.169 16.754 -20.677 1.00 0.00 C ATOM 1023 C THR A 69 1.213 16.966 -21.303 1.00 0.00 C ATOM 1024 O THR A 69 2.227 16.639 -20.718 1.00 0.00 O ATOM 1025 CB THR A 69 -1.063 15.941 -21.614 1.00 0.00 C ATOM 1026 OG1 THR A 69 -2.383 15.902 -21.090 1.00 0.00 O ATOM 1027 CG2 THR A 69 -0.518 14.518 -21.735 1.00 0.00 C ATOM 0 H THR A 69 -0.543 18.808 -21.125 1.00 0.00 H new ATOM 0 HA THR A 69 -0.010 16.249 -19.724 1.00 0.00 H new ATOM 0 HB THR A 69 -1.076 16.407 -22.599 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.355 16.054 -20.122 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.156 13.940 -22.403 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.495 14.549 -22.137 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.503 14.049 -20.751 1.00 0.00 H new ATOM 1035 N ASP A 70 1.260 17.510 -22.490 1.00 0.00 N ATOM 1036 CA ASP A 70 2.576 17.743 -23.158 1.00 0.00 C ATOM 1037 C ASP A 70 3.443 18.676 -22.308 1.00 0.00 C ATOM 1038 O ASP A 70 4.430 18.263 -21.728 1.00 0.00 O ATOM 1039 CB ASP A 70 2.234 18.402 -24.495 1.00 0.00 C ATOM 1040 CG ASP A 70 1.719 17.339 -25.469 1.00 0.00 C ATOM 1041 OD1 ASP A 70 2.408 16.350 -25.653 1.00 0.00 O ATOM 1042 OD2 ASP A 70 0.646 17.534 -26.015 1.00 0.00 O ATOM 0 H ASP A 70 0.444 17.804 -23.027 1.00 0.00 H new ATOM 0 HA ASP A 70 3.138 16.819 -23.292 1.00 0.00 H new ATOM 0 HB2 ASP A 70 1.479 19.174 -24.350 1.00 0.00 H new ATOM 0 HB3 ASP A 70 3.116 18.892 -24.907 1.00 0.00 H new ATOM 1047 N GLN A 71 3.082 19.928 -22.229 1.00 0.00 N ATOM 1048 CA GLN A 71 3.885 20.888 -21.416 1.00 0.00 C ATOM 1049 C GLN A 71 3.888 20.459 -19.944 1.00 0.00 C ATOM 1050 O GLN A 71 4.799 20.768 -19.201 1.00 0.00 O ATOM 1051 CB GLN A 71 3.181 22.237 -21.579 1.00 0.00 C ATOM 1052 CG GLN A 71 3.196 22.649 -23.053 1.00 0.00 C ATOM 1053 CD GLN A 71 2.626 24.062 -23.195 1.00 0.00 C ATOM 1054 OE1 GLN A 71 3.142 24.998 -22.616 1.00 0.00 O ATOM 1055 NE2 GLN A 71 1.578 24.257 -23.948 1.00 0.00 N ATOM 0 H GLN A 71 2.266 20.328 -22.692 1.00 0.00 H new ATOM 0 HA GLN A 71 4.925 20.931 -21.738 1.00 0.00 H new ATOM 0 HB2 GLN A 71 2.154 22.168 -21.221 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.680 22.994 -20.974 1.00 0.00 H new ATOM 0 HG2 GLN A 71 4.214 22.616 -23.440 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.607 21.947 -23.644 1.00 0.00 H new ATOM 0 HE21 GLN A 71 1.146 23.471 -24.434 1.00 0.00 H new ATOM 0 HE22 GLN A 71 1.191 25.195 -24.051 1.00 0.00 H new ATOM 1064 N LEU A 72 2.875 19.751 -19.522 1.00 0.00 N ATOM 1065 CA LEU A 72 2.815 19.300 -18.100 1.00 0.00 C ATOM 1066 C LEU A 72 3.929 18.288 -17.815 1.00 0.00 C ATOM 1067 O LEU A 72 3.807 17.118 -18.120 1.00 0.00 O ATOM 1068 CB LEU A 72 1.442 18.643 -17.950 1.00 0.00 C ATOM 1069 CG LEU A 72 0.969 18.767 -16.501 1.00 0.00 C ATOM 1070 CD1 LEU A 72 -0.560 18.788 -16.462 1.00 0.00 C ATOM 1071 CD2 LEU A 72 1.480 17.572 -15.694 1.00 0.00 C ATOM 0 H LEU A 72 2.085 19.465 -20.101 1.00 0.00 H new ATOM 0 HA LEU A 72 2.951 20.125 -17.401 1.00 0.00 H new ATOM 0 HB2 LEU A 72 0.725 19.119 -18.619 1.00 0.00 H new ATOM 0 HB3 LEU A 72 1.497 17.593 -18.237 1.00 0.00 H new ATOM 0 HG LEU A 72 1.357 19.691 -16.072 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.896 18.876 -15.429 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.927 19.638 -17.037 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.948 17.864 -16.892 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.143 17.660 -14.661 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.092 16.649 -16.125 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.570 17.554 -15.720 1.00 0.00 H new ATOM 1083 N VAL A 73 5.011 18.730 -17.231 1.00 0.00 N ATOM 1084 CA VAL A 73 6.133 17.793 -16.923 1.00 0.00 C ATOM 1085 C VAL A 73 6.398 17.773 -15.415 1.00 0.00 C ATOM 1086 O VAL A 73 5.911 18.613 -14.684 1.00 0.00 O ATOM 1087 CB VAL A 73 7.342 18.356 -17.675 1.00 0.00 C ATOM 1088 CG1 VAL A 73 7.069 18.316 -19.180 1.00 0.00 C ATOM 1089 CG2 VAL A 73 7.592 19.805 -17.243 1.00 0.00 C ATOM 0 H VAL A 73 5.167 19.699 -16.954 1.00 0.00 H new ATOM 0 HA VAL A 73 5.912 16.769 -17.223 1.00 0.00 H new ATOM 0 HB VAL A 73 8.221 17.754 -17.445 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.929 18.717 -19.717 1.00 0.00 H new ATOM 0 HG12 VAL A 73 6.895 17.286 -19.491 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.188 18.917 -19.406 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.453 20.202 -17.781 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.713 20.409 -17.469 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.787 19.837 -16.171 1.00 0.00 H new ATOM 1099 N LEU A 74 7.165 16.825 -14.941 1.00 0.00 N ATOM 1100 CA LEU A 74 7.450 16.771 -13.480 1.00 0.00 C ATOM 1101 C LEU A 74 8.903 17.168 -13.215 1.00 0.00 C ATOM 1102 O LEU A 74 9.791 16.875 -13.993 1.00 0.00 O ATOM 1103 CB LEU A 74 7.202 15.316 -13.081 1.00 0.00 C ATOM 1104 CG LEU A 74 5.823 15.190 -12.429 1.00 0.00 C ATOM 1105 CD1 LEU A 74 4.739 15.523 -13.455 1.00 0.00 C ATOM 1106 CD2 LEU A 74 5.627 13.757 -11.930 1.00 0.00 C ATOM 0 H LEU A 74 7.602 16.092 -15.499 1.00 0.00 H new ATOM 0 HA LEU A 74 6.826 17.457 -12.908 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.260 14.673 -13.959 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.975 14.981 -12.389 1.00 0.00 H new ATOM 0 HG LEU A 74 5.753 15.883 -11.590 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.757 15.433 -12.990 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.878 16.543 -13.814 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.807 14.831 -14.294 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.645 13.665 -11.465 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.697 13.066 -12.770 1.00 0.00 H new ATOM 0 HD23 LEU A 74 6.399 13.518 -11.198 1.00 0.00 H new ATOM 1118 N ILE A 75 9.150 17.838 -12.124 1.00 0.00 N ATOM 1119 CA ILE A 75 10.542 18.264 -11.801 1.00 0.00 C ATOM 1120 C ILE A 75 11.113 17.386 -10.688 1.00 0.00 C ATOM 1121 O ILE A 75 10.987 17.693 -9.519 1.00 0.00 O ATOM 1122 CB ILE A 75 10.420 19.714 -11.326 1.00 0.00 C ATOM 1123 CG1 ILE A 75 9.727 20.558 -12.402 1.00 0.00 C ATOM 1124 CG2 ILE A 75 11.815 20.281 -11.054 1.00 0.00 C ATOM 1125 CD1 ILE A 75 10.495 20.454 -13.724 1.00 0.00 C ATOM 0 H ILE A 75 8.445 18.110 -11.439 1.00 0.00 H new ATOM 0 HA ILE A 75 11.209 18.173 -12.658 1.00 0.00 H new ATOM 0 HB ILE A 75 9.829 19.743 -10.411 1.00 0.00 H new ATOM 0 HG12 ILE A 75 8.701 20.216 -12.540 1.00 0.00 H new ATOM 0 HG13 ILE A 75 9.676 21.599 -12.083 1.00 0.00 H new ATOM 0 HG21 ILE A 75 11.728 21.314 -10.716 1.00 0.00 H new ATOM 0 HG22 ILE A 75 12.305 19.687 -10.283 1.00 0.00 H new ATOM 0 HG23 ILE A 75 12.406 20.247 -11.969 1.00 0.00 H new ATOM 0 HD11 ILE A 75 9.996 21.056 -14.483 1.00 0.00 H new ATOM 0 HD12 ILE A 75 11.513 20.818 -13.583 1.00 0.00 H new ATOM 0 HD13 ILE A 75 10.523 19.413 -14.047 1.00 0.00 H new ATOM 1137 N PHE A 76 11.735 16.296 -11.043 1.00 0.00 N ATOM 1138 CA PHE A 76 12.312 15.398 -10.000 1.00 0.00 C ATOM 1139 C PHE A 76 13.473 16.095 -9.282 1.00 0.00 C ATOM 1140 O PHE A 76 14.626 15.902 -9.615 1.00 0.00 O ATOM 1141 CB PHE A 76 12.810 14.166 -10.758 1.00 0.00 C ATOM 1142 CG PHE A 76 13.405 13.184 -9.777 1.00 0.00 C ATOM 1143 CD1 PHE A 76 12.583 12.544 -8.841 1.00 0.00 C ATOM 1144 CD2 PHE A 76 14.779 12.919 -9.799 1.00 0.00 C ATOM 1145 CE1 PHE A 76 13.137 11.638 -7.928 1.00 0.00 C ATOM 1146 CE2 PHE A 76 15.333 12.015 -8.885 1.00 0.00 C ATOM 1147 CZ PHE A 76 14.511 11.374 -7.950 1.00 0.00 C ATOM 0 H PHE A 76 11.869 15.988 -12.006 1.00 0.00 H new ATOM 0 HA PHE A 76 11.580 15.134 -9.237 1.00 0.00 H new ATOM 0 HB2 PHE A 76 11.987 13.702 -11.301 1.00 0.00 H new ATOM 0 HB3 PHE A 76 13.556 14.457 -11.497 1.00 0.00 H new ATOM 0 HD1 PHE A 76 11.523 12.749 -8.823 1.00 0.00 H new ATOM 0 HD2 PHE A 76 15.412 13.412 -10.522 1.00 0.00 H new ATOM 0 HE1 PHE A 76 12.504 11.143 -7.207 1.00 0.00 H new ATOM 0 HE2 PHE A 76 16.394 11.812 -8.901 1.00 0.00 H new ATOM 0 HZ PHE A 76 14.938 10.675 -7.245 1.00 0.00 H new ATOM 1157 N ALA A 77 13.175 16.901 -8.295 1.00 0.00 N ATOM 1158 CA ALA A 77 14.256 17.613 -7.546 1.00 0.00 C ATOM 1159 C ALA A 77 15.190 18.349 -8.512 1.00 0.00 C ATOM 1160 O ALA A 77 16.362 18.527 -8.243 1.00 0.00 O ATOM 1161 CB ALA A 77 15.015 16.514 -6.799 1.00 0.00 C ATOM 0 H ALA A 77 12.227 17.098 -7.974 1.00 0.00 H new ATOM 0 HA ALA A 77 13.853 18.365 -6.868 1.00 0.00 H new ATOM 0 HB1 ALA A 77 15.827 16.959 -6.224 1.00 0.00 H new ATOM 0 HB2 ALA A 77 14.334 15.996 -6.124 1.00 0.00 H new ATOM 0 HB3 ALA A 77 15.425 15.803 -7.516 1.00 0.00 H new ATOM 1167 N GLY A 78 14.679 18.776 -9.635 1.00 0.00 N ATOM 1168 CA GLY A 78 15.535 19.500 -10.619 1.00 0.00 C ATOM 1169 C GLY A 78 15.433 18.816 -11.983 1.00 0.00 C ATOM 1170 O GLY A 78 15.172 19.450 -12.986 1.00 0.00 O ATOM 0 H GLY A 78 13.705 18.655 -9.914 1.00 0.00 H new ATOM 0 HA2 GLY A 78 15.218 20.540 -10.697 1.00 0.00 H new ATOM 0 HA3 GLY A 78 16.571 19.507 -10.280 1.00 0.00 H new ATOM 1174 N LYS A 79 15.635 17.525 -12.026 1.00 0.00 N ATOM 1175 CA LYS A 79 15.547 16.799 -13.327 1.00 0.00 C ATOM 1176 C LYS A 79 14.134 16.928 -13.903 1.00 0.00 C ATOM 1177 O LYS A 79 13.290 17.609 -13.353 1.00 0.00 O ATOM 1178 CB LYS A 79 15.860 15.340 -12.991 1.00 0.00 C ATOM 1179 CG LYS A 79 17.373 15.119 -13.041 1.00 0.00 C ATOM 1180 CD LYS A 79 17.776 14.101 -11.973 1.00 0.00 C ATOM 1181 CE LYS A 79 19.234 14.331 -11.568 1.00 0.00 C ATOM 1182 NZ LYS A 79 19.162 15.068 -10.275 1.00 0.00 N ATOM 0 H LYS A 79 15.857 16.943 -11.218 1.00 0.00 H new ATOM 0 HA LYS A 79 16.234 17.199 -14.073 1.00 0.00 H new ATOM 0 HB2 LYS A 79 15.478 15.094 -12.000 1.00 0.00 H new ATOM 0 HB3 LYS A 79 15.361 14.678 -13.698 1.00 0.00 H new ATOM 0 HG2 LYS A 79 17.667 14.762 -14.028 1.00 0.00 H new ATOM 0 HG3 LYS A 79 17.895 16.062 -12.875 1.00 0.00 H new ATOM 0 HD2 LYS A 79 17.127 14.196 -11.102 1.00 0.00 H new ATOM 0 HD3 LYS A 79 17.650 13.088 -12.356 1.00 0.00 H new ATOM 0 HE2 LYS A 79 19.766 13.386 -11.455 1.00 0.00 H new ATOM 0 HE3 LYS A 79 19.767 14.909 -12.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 20.124 15.263 -9.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 18.656 15.966 -10.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 18.655 14.491 -9.574 1.00 0.00 H new ATOM 1196 N ILE A 80 13.867 16.273 -15.002 1.00 0.00 N ATOM 1197 CA ILE A 80 12.502 16.360 -15.605 1.00 0.00 C ATOM 1198 C ILE A 80 11.826 14.994 -15.595 1.00 0.00 C ATOM 1199 O ILE A 80 11.975 14.219 -16.518 1.00 0.00 O ATOM 1200 CB ILE A 80 12.666 16.842 -17.062 1.00 0.00 C ATOM 1201 CG1 ILE A 80 14.071 16.535 -17.604 1.00 0.00 C ATOM 1202 CG2 ILE A 80 12.429 18.352 -17.125 1.00 0.00 C ATOM 1203 CD1 ILE A 80 14.230 15.025 -17.782 1.00 0.00 C ATOM 0 H ILE A 80 14.530 15.684 -15.507 1.00 0.00 H new ATOM 0 HA ILE A 80 11.883 17.050 -15.031 1.00 0.00 H new ATOM 0 HB ILE A 80 11.938 16.312 -17.676 1.00 0.00 H new ATOM 0 HG12 ILE A 80 14.224 17.042 -18.557 1.00 0.00 H new ATOM 0 HG13 ILE A 80 14.828 16.913 -16.917 1.00 0.00 H new ATOM 0 HG21 ILE A 80 12.544 18.696 -18.153 1.00 0.00 H new ATOM 0 HG22 ILE A 80 11.420 18.577 -16.778 1.00 0.00 H new ATOM 0 HG23 ILE A 80 13.153 18.861 -16.489 1.00 0.00 H new ATOM 0 HD11 ILE A 80 15.226 14.807 -18.166 1.00 0.00 H new ATOM 0 HD12 ILE A 80 14.095 14.529 -16.821 1.00 0.00 H new ATOM 0 HD13 ILE A 80 13.482 14.661 -18.486 1.00 0.00 H new ATOM 1215 N LEU A 81 11.059 14.696 -14.578 1.00 0.00 N ATOM 1216 CA LEU A 81 10.357 13.383 -14.559 1.00 0.00 C ATOM 1217 C LEU A 81 9.395 13.347 -15.744 1.00 0.00 C ATOM 1218 O LEU A 81 8.240 13.715 -15.637 1.00 0.00 O ATOM 1219 CB LEU A 81 9.598 13.329 -13.231 1.00 0.00 C ATOM 1220 CG LEU A 81 9.968 12.045 -12.489 1.00 0.00 C ATOM 1221 CD1 LEU A 81 9.493 12.132 -11.036 1.00 0.00 C ATOM 1222 CD2 LEU A 81 9.295 10.850 -13.171 1.00 0.00 C ATOM 0 H LEU A 81 10.891 15.297 -13.771 1.00 0.00 H new ATOM 0 HA LEU A 81 11.034 12.532 -14.640 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.845 14.199 -12.622 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.524 13.361 -13.412 1.00 0.00 H new ATOM 0 HG LEU A 81 11.050 11.918 -12.509 1.00 0.00 H new ATOM 0 HD11 LEU A 81 9.759 11.215 -10.511 1.00 0.00 H new ATOM 0 HD12 LEU A 81 9.971 12.981 -10.547 1.00 0.00 H new ATOM 0 HD13 LEU A 81 8.411 12.262 -11.014 1.00 0.00 H new ATOM 0 HD21 LEU A 81 9.558 9.934 -12.643 1.00 0.00 H new ATOM 0 HD22 LEU A 81 8.213 10.982 -13.152 1.00 0.00 H new ATOM 0 HD23 LEU A 81 9.634 10.783 -14.205 1.00 0.00 H new ATOM 1234 N LYS A 82 9.882 12.940 -16.882 1.00 0.00 N ATOM 1235 CA LYS A 82 9.027 12.906 -18.095 1.00 0.00 C ATOM 1236 C LYS A 82 9.420 11.726 -18.984 1.00 0.00 C ATOM 1237 O LYS A 82 9.933 10.730 -18.518 1.00 0.00 O ATOM 1238 CB LYS A 82 9.304 14.235 -18.798 1.00 0.00 C ATOM 1239 CG LYS A 82 8.043 14.700 -19.526 1.00 0.00 C ATOM 1240 CD LYS A 82 8.436 15.514 -20.761 1.00 0.00 C ATOM 1241 CE LYS A 82 7.460 15.217 -21.902 1.00 0.00 C ATOM 1242 NZ LYS A 82 8.188 15.609 -23.142 1.00 0.00 N ATOM 0 H LYS A 82 10.843 12.628 -17.023 1.00 0.00 H new ATOM 0 HA LYS A 82 7.970 12.781 -17.861 1.00 0.00 H new ATOM 0 HB2 LYS A 82 9.614 14.985 -18.071 1.00 0.00 H new ATOM 0 HB3 LYS A 82 10.124 14.120 -19.507 1.00 0.00 H new ATOM 0 HG2 LYS A 82 7.442 13.839 -19.821 1.00 0.00 H new ATOM 0 HG3 LYS A 82 7.428 15.305 -18.860 1.00 0.00 H new ATOM 0 HD2 LYS A 82 8.424 16.578 -20.527 1.00 0.00 H new ATOM 0 HD3 LYS A 82 9.453 15.266 -21.065 1.00 0.00 H new ATOM 0 HE2 LYS A 82 7.185 14.162 -21.922 1.00 0.00 H new ATOM 0 HE3 LYS A 82 6.537 15.785 -21.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 7.609 16.279 -23.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 9.090 16.059 -22.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 8.374 14.763 -23.718 1.00 0.00 H new ATOM 1256 N ASP A 83 9.187 11.835 -20.261 1.00 0.00 N ATOM 1257 CA ASP A 83 9.544 10.719 -21.185 1.00 0.00 C ATOM 1258 C ASP A 83 11.062 10.636 -21.365 1.00 0.00 C ATOM 1259 O ASP A 83 11.587 9.645 -21.835 1.00 0.00 O ATOM 1260 CB ASP A 83 8.850 11.056 -22.506 1.00 0.00 C ATOM 1261 CG ASP A 83 9.371 12.390 -23.052 1.00 0.00 C ATOM 1262 OD1 ASP A 83 10.066 13.081 -22.324 1.00 0.00 O ATOM 1263 OD2 ASP A 83 9.066 12.698 -24.192 1.00 0.00 O ATOM 0 H ASP A 83 8.764 12.649 -20.707 1.00 0.00 H new ATOM 0 HA ASP A 83 9.227 9.749 -20.801 1.00 0.00 H new ATOM 0 HB2 ASP A 83 9.029 10.263 -23.232 1.00 0.00 H new ATOM 0 HB3 ASP A 83 7.772 11.113 -22.355 1.00 0.00 H new ATOM 1268 N GLN A 84 11.772 11.665 -20.989 1.00 0.00 N ATOM 1269 CA GLN A 84 13.255 11.642 -21.133 1.00 0.00 C ATOM 1270 C GLN A 84 13.847 10.528 -20.267 1.00 0.00 C ATOM 1271 O GLN A 84 14.846 9.927 -20.614 1.00 0.00 O ATOM 1272 CB GLN A 84 13.727 13.011 -20.642 1.00 0.00 C ATOM 1273 CG GLN A 84 15.204 13.198 -20.996 1.00 0.00 C ATOM 1274 CD GLN A 84 15.562 14.686 -20.939 1.00 0.00 C ATOM 1275 OE1 GLN A 84 14.800 15.490 -20.439 1.00 0.00 O ATOM 1276 NE2 GLN A 84 16.700 15.088 -21.435 1.00 0.00 N ATOM 0 H GLN A 84 11.388 12.521 -20.588 1.00 0.00 H new ATOM 0 HA GLN A 84 13.568 11.451 -22.160 1.00 0.00 H new ATOM 0 HB2 GLN A 84 13.130 13.799 -21.100 1.00 0.00 H new ATOM 0 HB3 GLN A 84 13.587 13.091 -19.564 1.00 0.00 H new ATOM 0 HG2 GLN A 84 15.829 12.637 -20.301 1.00 0.00 H new ATOM 0 HG3 GLN A 84 15.402 12.804 -21.993 1.00 0.00 H new ATOM 0 HE21 GLN A 84 17.340 14.414 -21.855 1.00 0.00 H new ATOM 0 HE22 GLN A 84 16.950 16.076 -21.403 1.00 0.00 H new ATOM 1285 N ASP A 85 13.244 10.251 -19.141 1.00 0.00 N ATOM 1286 CA ASP A 85 13.781 9.177 -18.253 1.00 0.00 C ATOM 1287 C ASP A 85 12.652 8.260 -17.778 1.00 0.00 C ATOM 1288 O ASP A 85 11.486 8.562 -17.938 1.00 0.00 O ATOM 1289 CB ASP A 85 14.410 9.915 -17.070 1.00 0.00 C ATOM 1290 CG ASP A 85 13.354 10.782 -16.379 1.00 0.00 C ATOM 1291 OD1 ASP A 85 12.486 10.219 -15.733 1.00 0.00 O ATOM 1292 OD2 ASP A 85 13.432 11.992 -16.508 1.00 0.00 O ATOM 0 H ASP A 85 12.406 10.720 -18.798 1.00 0.00 H new ATOM 0 HA ASP A 85 14.503 8.543 -18.768 1.00 0.00 H new ATOM 0 HB2 ASP A 85 14.826 9.198 -16.362 1.00 0.00 H new ATOM 0 HB3 ASP A 85 15.236 10.537 -17.415 1.00 0.00 H new ATOM 1297 N THR A 86 12.991 7.142 -17.192 1.00 0.00 N ATOM 1298 CA THR A 86 11.939 6.204 -16.705 1.00 0.00 C ATOM 1299 C THR A 86 11.721 6.387 -15.200 1.00 0.00 C ATOM 1300 O THR A 86 12.626 6.734 -14.464 1.00 0.00 O ATOM 1301 CB THR A 86 12.479 4.805 -17.008 1.00 0.00 C ATOM 1302 OG1 THR A 86 13.870 4.762 -16.723 1.00 0.00 O ATOM 1303 CG2 THR A 86 12.251 4.477 -18.483 1.00 0.00 C ATOM 0 H THR A 86 13.951 6.838 -17.030 1.00 0.00 H new ATOM 0 HA THR A 86 10.977 6.378 -17.186 1.00 0.00 H new ATOM 0 HB THR A 86 11.958 4.074 -16.389 1.00 0.00 H new ATOM 0 HG1 THR A 86 14.377 4.979 -17.533 1.00 0.00 H new ATOM 0 HG21 THR A 86 12.636 3.480 -18.698 1.00 0.00 H new ATOM 0 HG22 THR A 86 11.184 4.509 -18.702 1.00 0.00 H new ATOM 0 HG23 THR A 86 12.770 5.208 -19.103 1.00 0.00 H new ATOM 1311 N LEU A 87 10.520 6.160 -14.743 1.00 0.00 N ATOM 1312 CA LEU A 87 10.218 6.319 -13.289 1.00 0.00 C ATOM 1313 C LEU A 87 11.155 5.456 -12.439 1.00 0.00 C ATOM 1314 O LEU A 87 11.662 5.891 -11.424 1.00 0.00 O ATOM 1315 CB LEU A 87 8.765 5.852 -13.147 1.00 0.00 C ATOM 1316 CG LEU A 87 8.235 6.200 -11.755 1.00 0.00 C ATOM 1317 CD1 LEU A 87 8.422 7.698 -11.484 1.00 0.00 C ATOM 1318 CD2 LEU A 87 6.746 5.853 -11.680 1.00 0.00 C ATOM 0 H LEU A 87 9.729 5.869 -15.317 1.00 0.00 H new ATOM 0 HA LEU A 87 10.359 7.344 -12.946 1.00 0.00 H new ATOM 0 HB2 LEU A 87 8.146 6.326 -13.909 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.703 4.776 -13.310 1.00 0.00 H new ATOM 0 HG LEU A 87 8.786 5.629 -11.007 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.042 7.938 -10.491 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.482 7.948 -11.538 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.875 8.274 -12.231 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.364 6.100 -10.689 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.201 6.424 -12.431 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.611 4.788 -11.866 1.00 0.00 H new ATOM 1330 N ILE A 88 11.383 4.237 -12.840 1.00 0.00 N ATOM 1331 CA ILE A 88 12.283 3.342 -12.048 1.00 0.00 C ATOM 1332 C ILE A 88 13.748 3.768 -12.167 1.00 0.00 C ATOM 1333 O ILE A 88 14.592 3.303 -11.425 1.00 0.00 O ATOM 1334 CB ILE A 88 12.113 1.952 -12.655 1.00 0.00 C ATOM 1335 CG1 ILE A 88 12.366 2.007 -14.169 1.00 0.00 C ATOM 1336 CG2 ILE A 88 10.697 1.447 -12.391 1.00 0.00 C ATOM 1337 CD1 ILE A 88 13.355 0.910 -14.566 1.00 0.00 C ATOM 0 H ILE A 88 10.987 3.818 -13.681 1.00 0.00 H new ATOM 0 HA ILE A 88 12.026 3.378 -10.989 1.00 0.00 H new ATOM 0 HB ILE A 88 12.832 1.273 -12.197 1.00 0.00 H new ATOM 0 HG12 ILE A 88 11.428 1.878 -14.709 1.00 0.00 H new ATOM 0 HG13 ILE A 88 12.761 2.984 -14.446 1.00 0.00 H new ATOM 0 HG21 ILE A 88 10.578 0.454 -12.825 1.00 0.00 H new ATOM 0 HG22 ILE A 88 10.523 1.396 -11.316 1.00 0.00 H new ATOM 0 HG23 ILE A 88 9.977 2.129 -12.843 1.00 0.00 H new ATOM 0 HD11 ILE A 88 13.532 0.952 -15.641 1.00 0.00 H new ATOM 0 HD12 ILE A 88 14.296 1.060 -14.037 1.00 0.00 H new ATOM 0 HD13 ILE A 88 12.942 -0.064 -14.304 1.00 0.00 H new ATOM 1349 N GLN A 89 14.072 4.614 -13.105 1.00 0.00 N ATOM 1350 CA GLN A 89 15.499 5.015 -13.268 1.00 0.00 C ATOM 1351 C GLN A 89 15.770 6.421 -12.727 1.00 0.00 C ATOM 1352 O GLN A 89 16.899 6.873 -12.742 1.00 0.00 O ATOM 1353 CB GLN A 89 15.746 4.976 -14.775 1.00 0.00 C ATOM 1354 CG GLN A 89 17.236 5.173 -15.051 1.00 0.00 C ATOM 1355 CD GLN A 89 17.518 4.932 -16.536 1.00 0.00 C ATOM 1356 OE1 GLN A 89 17.902 5.839 -17.248 1.00 0.00 O ATOM 1357 NE2 GLN A 89 17.342 3.740 -17.037 1.00 0.00 N ATOM 0 H GLN A 89 13.418 5.042 -13.760 1.00 0.00 H new ATOM 0 HA GLN A 89 16.158 4.350 -12.710 1.00 0.00 H new ATOM 0 HB2 GLN A 89 15.412 4.023 -15.185 1.00 0.00 H new ATOM 0 HB3 GLN A 89 15.167 5.756 -15.270 1.00 0.00 H new ATOM 0 HG2 GLN A 89 17.538 6.183 -14.772 1.00 0.00 H new ATOM 0 HG3 GLN A 89 17.823 4.485 -14.442 1.00 0.00 H new ATOM 0 HE21 GLN A 89 17.020 2.978 -16.440 1.00 0.00 H new ATOM 0 HE22 GLN A 89 17.527 3.570 -18.026 1.00 0.00 H new ATOM 1366 N HIS A 90 14.774 7.130 -12.254 1.00 0.00 N ATOM 1367 CA HIS A 90 15.064 8.508 -11.735 1.00 0.00 C ATOM 1368 C HIS A 90 13.828 9.172 -11.131 1.00 0.00 C ATOM 1369 O HIS A 90 13.926 9.916 -10.175 1.00 0.00 O ATOM 1370 CB HIS A 90 15.524 9.301 -12.959 1.00 0.00 C ATOM 1371 CG HIS A 90 16.813 10.013 -12.648 1.00 0.00 C ATOM 1372 ND1 HIS A 90 17.732 10.342 -13.630 1.00 0.00 N ATOM 1373 CD2 HIS A 90 17.350 10.461 -11.466 1.00 0.00 C ATOM 1374 CE1 HIS A 90 18.765 10.961 -13.029 1.00 0.00 C ATOM 1375 NE2 HIS A 90 18.583 11.059 -11.710 1.00 0.00 N ATOM 0 H HIS A 90 13.801 6.829 -12.204 1.00 0.00 H new ATOM 0 HA HIS A 90 15.808 8.471 -10.939 1.00 0.00 H new ATOM 0 HB2 HIS A 90 15.663 8.631 -13.807 1.00 0.00 H new ATOM 0 HB3 HIS A 90 14.759 10.023 -13.245 1.00 0.00 H new ATOM 0 HD1 HIS A 90 17.642 10.150 -14.628 1.00 0.00 H new ATOM 0 HD2 HIS A 90 16.886 10.364 -10.495 1.00 0.00 H new ATOM 0 HE1 HIS A 90 19.635 11.333 -13.550 1.00 0.00 H new ATOM 1383 N GLY A 91 12.669 8.941 -11.683 1.00 0.00 N ATOM 1384 CA GLY A 91 11.453 9.602 -11.130 1.00 0.00 C ATOM 1385 C GLY A 91 11.286 9.217 -9.663 1.00 0.00 C ATOM 1386 O GLY A 91 11.124 10.062 -8.807 1.00 0.00 O ATOM 0 H GLY A 91 12.511 8.330 -12.484 1.00 0.00 H new ATOM 0 HA2 GLY A 91 11.540 10.684 -11.225 1.00 0.00 H new ATOM 0 HA3 GLY A 91 10.573 9.301 -11.698 1.00 0.00 H new ATOM 1390 N ILE A 92 11.340 7.949 -9.366 1.00 0.00 N ATOM 1391 CA ILE A 92 11.199 7.500 -7.951 1.00 0.00 C ATOM 1392 C ILE A 92 11.846 6.123 -7.790 1.00 0.00 C ATOM 1393 O ILE A 92 11.913 5.350 -8.725 1.00 0.00 O ATOM 1394 CB ILE A 92 9.690 7.403 -7.699 1.00 0.00 C ATOM 1395 CG1 ILE A 92 9.063 6.499 -8.757 1.00 0.00 C ATOM 1396 CG2 ILE A 92 9.051 8.790 -7.771 1.00 0.00 C ATOM 1397 CD1 ILE A 92 9.118 5.051 -8.280 1.00 0.00 C ATOM 0 H ILE A 92 11.476 7.200 -10.045 1.00 0.00 H new ATOM 0 HA ILE A 92 11.680 8.183 -7.251 1.00 0.00 H new ATOM 0 HB ILE A 92 9.519 6.988 -6.706 1.00 0.00 H new ATOM 0 HG12 ILE A 92 8.030 6.795 -8.939 1.00 0.00 H new ATOM 0 HG13 ILE A 92 9.595 6.603 -9.702 1.00 0.00 H new ATOM 0 HG21 ILE A 92 7.979 8.707 -7.590 1.00 0.00 H new ATOM 0 HG22 ILE A 92 9.497 9.436 -7.015 1.00 0.00 H new ATOM 0 HG23 ILE A 92 9.220 9.218 -8.759 1.00 0.00 H new ATOM 0 HD11 ILE A 92 8.671 4.402 -9.033 1.00 0.00 H new ATOM 0 HD12 ILE A 92 10.156 4.760 -8.120 1.00 0.00 H new ATOM 0 HD13 ILE A 92 8.566 4.955 -7.345 1.00 0.00 H new ATOM 1409 N HIS A 93 12.309 5.807 -6.616 1.00 0.00 N ATOM 1410 CA HIS A 93 12.936 4.474 -6.403 1.00 0.00 C ATOM 1411 C HIS A 93 11.936 3.538 -5.717 1.00 0.00 C ATOM 1412 O HIS A 93 12.013 2.333 -5.841 1.00 0.00 O ATOM 1413 CB HIS A 93 14.141 4.744 -5.502 1.00 0.00 C ATOM 1414 CG HIS A 93 15.277 5.282 -6.330 1.00 0.00 C ATOM 1415 ND1 HIS A 93 16.601 5.149 -5.941 1.00 0.00 N ATOM 1416 CD2 HIS A 93 15.306 5.958 -7.529 1.00 0.00 C ATOM 1417 CE1 HIS A 93 17.363 5.729 -6.886 1.00 0.00 C ATOM 1418 NE2 HIS A 93 16.624 6.238 -7.876 1.00 0.00 N ATOM 0 H HIS A 93 12.281 6.412 -5.795 1.00 0.00 H new ATOM 0 HA HIS A 93 13.234 3.993 -7.335 1.00 0.00 H new ATOM 0 HB2 HIS A 93 13.874 5.459 -4.724 1.00 0.00 H new ATOM 0 HB3 HIS A 93 14.446 3.826 -5.000 1.00 0.00 H new ATOM 0 HD2 HIS A 93 14.438 6.230 -8.111 1.00 0.00 H new ATOM 0 HE1 HIS A 93 18.441 5.777 -6.849 1.00 0.00 H new ATOM 0 HE2 HIS A 93 16.955 6.727 -8.708 1.00 0.00 H new ATOM 1426 N ASP A 94 10.991 4.096 -5.001 1.00 0.00 N ATOM 1427 CA ASP A 94 9.965 3.264 -4.302 1.00 0.00 C ATOM 1428 C ASP A 94 8.993 4.175 -3.546 1.00 0.00 C ATOM 1429 O ASP A 94 8.690 3.955 -2.390 1.00 0.00 O ATOM 1430 CB ASP A 94 10.748 2.384 -3.320 1.00 0.00 C ATOM 1431 CG ASP A 94 9.780 1.476 -2.558 1.00 0.00 C ATOM 1432 OD1 ASP A 94 9.215 0.592 -3.179 1.00 0.00 O ATOM 1433 OD2 ASP A 94 9.621 1.682 -1.366 1.00 0.00 O ATOM 0 H ASP A 94 10.886 5.102 -4.870 1.00 0.00 H new ATOM 0 HA ASP A 94 9.379 2.662 -4.996 1.00 0.00 H new ATOM 0 HB2 ASP A 94 11.479 1.782 -3.859 1.00 0.00 H new ATOM 0 HB3 ASP A 94 11.304 3.008 -2.620 1.00 0.00 H new ATOM 1438 N GLY A 95 8.505 5.202 -4.193 1.00 0.00 N ATOM 1439 CA GLY A 95 7.557 6.132 -3.515 1.00 0.00 C ATOM 1440 C GLY A 95 8.261 7.456 -3.209 1.00 0.00 C ATOM 1441 O GLY A 95 8.594 7.743 -2.076 1.00 0.00 O ATOM 0 H GLY A 95 8.723 5.436 -5.162 1.00 0.00 H new ATOM 0 HA2 GLY A 95 6.689 6.309 -4.151 1.00 0.00 H new ATOM 0 HA3 GLY A 95 7.190 5.683 -2.592 1.00 0.00 H new ATOM 1445 N LEU A 96 8.492 8.266 -4.210 1.00 0.00 N ATOM 1446 CA LEU A 96 9.174 9.573 -3.972 1.00 0.00 C ATOM 1447 C LEU A 96 8.243 10.731 -4.346 1.00 0.00 C ATOM 1448 O LEU A 96 7.142 10.524 -4.820 1.00 0.00 O ATOM 1449 CB LEU A 96 10.404 9.553 -4.882 1.00 0.00 C ATOM 1450 CG LEU A 96 11.673 9.612 -4.031 1.00 0.00 C ATOM 1451 CD1 LEU A 96 11.994 8.217 -3.492 1.00 0.00 C ATOM 1452 CD2 LEU A 96 12.839 10.107 -4.890 1.00 0.00 C ATOM 0 H LEU A 96 8.238 8.079 -5.180 1.00 0.00 H new ATOM 0 HA LEU A 96 9.447 9.712 -2.926 1.00 0.00 H new ATOM 0 HB2 LEU A 96 10.404 8.649 -5.491 1.00 0.00 H new ATOM 0 HB3 LEU A 96 10.375 10.399 -5.568 1.00 0.00 H new ATOM 0 HG LEU A 96 11.518 10.296 -3.196 1.00 0.00 H new ATOM 0 HD11 LEU A 96 12.899 8.261 -2.886 1.00 0.00 H new ATOM 0 HD12 LEU A 96 11.164 7.863 -2.880 1.00 0.00 H new ATOM 0 HD13 LEU A 96 12.148 7.532 -4.325 1.00 0.00 H new ATOM 0 HD21 LEU A 96 13.744 10.150 -4.285 1.00 0.00 H new ATOM 0 HD22 LEU A 96 12.992 9.423 -5.725 1.00 0.00 H new ATOM 0 HD23 LEU A 96 12.612 11.102 -5.273 1.00 0.00 H new ATOM 1464 N THR A 97 8.674 11.947 -4.134 1.00 0.00 N ATOM 1465 CA THR A 97 7.812 13.117 -4.475 1.00 0.00 C ATOM 1466 C THR A 97 8.455 13.955 -5.583 1.00 0.00 C ATOM 1467 O THR A 97 9.663 14.059 -5.678 1.00 0.00 O ATOM 1468 CB THR A 97 7.712 13.928 -3.182 1.00 0.00 C ATOM 1469 OG1 THR A 97 7.398 13.058 -2.103 1.00 0.00 O ATOM 1470 CG2 THR A 97 6.616 14.985 -3.325 1.00 0.00 C ATOM 0 H THR A 97 9.585 12.180 -3.740 1.00 0.00 H new ATOM 0 HA THR A 97 6.833 12.808 -4.842 1.00 0.00 H new ATOM 0 HB THR A 97 8.664 14.421 -2.986 1.00 0.00 H new ATOM 0 HG1 THR A 97 7.335 13.576 -1.273 1.00 0.00 H new ATOM 0 HG21 THR A 97 6.545 15.563 -2.403 1.00 0.00 H new ATOM 0 HG22 THR A 97 6.859 15.651 -4.153 1.00 0.00 H new ATOM 0 HG23 THR A 97 5.662 14.496 -3.521 1.00 0.00 H new ATOM 1478 N VAL A 98 7.651 14.554 -6.419 1.00 0.00 N ATOM 1479 CA VAL A 98 8.205 15.391 -7.526 1.00 0.00 C ATOM 1480 C VAL A 98 7.373 16.668 -7.690 1.00 0.00 C ATOM 1481 O VAL A 98 6.176 16.670 -7.478 1.00 0.00 O ATOM 1482 CB VAL A 98 8.105 14.512 -8.777 1.00 0.00 C ATOM 1483 CG1 VAL A 98 6.642 14.137 -9.033 1.00 0.00 C ATOM 1484 CG2 VAL A 98 8.651 15.282 -9.983 1.00 0.00 C ATOM 0 H VAL A 98 6.633 14.501 -6.385 1.00 0.00 H new ATOM 0 HA VAL A 98 9.231 15.706 -7.335 1.00 0.00 H new ATOM 0 HB VAL A 98 8.688 13.603 -8.626 1.00 0.00 H new ATOM 0 HG11 VAL A 98 6.577 13.512 -9.924 1.00 0.00 H new ATOM 0 HG12 VAL A 98 6.252 13.589 -8.176 1.00 0.00 H new ATOM 0 HG13 VAL A 98 6.055 15.043 -9.182 1.00 0.00 H new ATOM 0 HG21 VAL A 98 8.581 14.659 -10.875 1.00 0.00 H new ATOM 0 HG22 VAL A 98 8.067 16.191 -10.129 1.00 0.00 H new ATOM 0 HG23 VAL A 98 9.694 15.545 -9.805 1.00 0.00 H new ATOM 1494 N HIS A 99 7.998 17.753 -8.069 1.00 0.00 N ATOM 1495 CA HIS A 99 7.236 19.028 -8.248 1.00 0.00 C ATOM 1496 C HIS A 99 6.731 19.143 -9.688 1.00 0.00 C ATOM 1497 O HIS A 99 7.504 19.242 -10.619 1.00 0.00 O ATOM 1498 CB HIS A 99 8.244 20.137 -7.943 1.00 0.00 C ATOM 1499 CG HIS A 99 7.519 21.333 -7.389 1.00 0.00 C ATOM 1500 ND1 HIS A 99 6.231 21.663 -7.782 1.00 0.00 N ATOM 1501 CD2 HIS A 99 7.887 22.287 -6.473 1.00 0.00 C ATOM 1502 CE1 HIS A 99 5.874 22.773 -7.109 1.00 0.00 C ATOM 1503 NE2 HIS A 99 6.848 23.195 -6.298 1.00 0.00 N ATOM 0 H HIS A 99 8.998 17.813 -8.262 1.00 0.00 H new ATOM 0 HA HIS A 99 6.362 19.082 -7.599 1.00 0.00 H new ATOM 0 HB2 HIS A 99 8.985 19.783 -7.226 1.00 0.00 H new ATOM 0 HB3 HIS A 99 8.783 20.413 -8.849 1.00 0.00 H new ATOM 0 HD2 HIS A 99 8.839 22.327 -5.965 1.00 0.00 H new ATOM 0 HE1 HIS A 99 4.917 23.263 -7.212 1.00 0.00 H new ATOM 0 HE2 HIS A 99 6.833 24.008 -5.683 1.00 0.00 H new ATOM 1511 N LEU A 100 5.439 19.133 -9.878 1.00 0.00 N ATOM 1512 CA LEU A 100 4.884 19.239 -11.260 1.00 0.00 C ATOM 1513 C LEU A 100 4.823 20.702 -11.706 1.00 0.00 C ATOM 1514 O LEU A 100 4.634 21.597 -10.906 1.00 0.00 O ATOM 1515 CB LEU A 100 3.477 18.649 -11.167 1.00 0.00 C ATOM 1516 CG LEU A 100 2.923 18.418 -12.575 1.00 0.00 C ATOM 1517 CD1 LEU A 100 2.101 17.127 -12.597 1.00 0.00 C ATOM 1518 CD2 LEU A 100 2.033 19.597 -12.971 1.00 0.00 C ATOM 0 H LEU A 100 4.743 19.056 -9.136 1.00 0.00 H new ATOM 0 HA LEU A 100 5.502 18.715 -11.990 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.502 17.709 -10.616 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.824 19.325 -10.615 1.00 0.00 H new ATOM 0 HG LEU A 100 3.749 18.332 -13.281 1.00 0.00 H new ATOM 0 HD11 LEU A 100 1.707 16.964 -13.600 1.00 0.00 H new ATOM 0 HD12 LEU A 100 2.736 16.287 -12.315 1.00 0.00 H new ATOM 0 HD13 LEU A 100 1.274 17.210 -11.892 1.00 0.00 H new ATOM 0 HD21 LEU A 100 1.638 19.434 -13.974 1.00 0.00 H new ATOM 0 HD22 LEU A 100 1.207 19.683 -12.265 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.619 20.516 -12.957 1.00 0.00 H new ATOM 1530 N VAL A 101 4.978 20.949 -12.981 1.00 0.00 N ATOM 1531 CA VAL A 101 4.927 22.352 -13.485 1.00 0.00 C ATOM 1532 C VAL A 101 4.843 22.363 -15.016 1.00 0.00 C ATOM 1533 O VAL A 101 5.548 21.636 -15.692 1.00 0.00 O ATOM 1534 CB VAL A 101 6.231 22.997 -13.009 1.00 0.00 C ATOM 1535 CG1 VAL A 101 7.425 22.261 -13.622 1.00 0.00 C ATOM 1536 CG2 VAL A 101 6.261 24.464 -13.441 1.00 0.00 C ATOM 0 H VAL A 101 5.138 20.238 -13.695 1.00 0.00 H new ATOM 0 HA VAL A 101 4.053 22.890 -13.118 1.00 0.00 H new ATOM 0 HB VAL A 101 6.288 22.935 -11.922 1.00 0.00 H new ATOM 0 HG11 VAL A 101 8.351 22.723 -13.281 1.00 0.00 H new ATOM 0 HG12 VAL A 101 7.406 21.216 -13.313 1.00 0.00 H new ATOM 0 HG13 VAL A 101 7.369 22.319 -14.709 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.189 24.924 -13.102 1.00 0.00 H new ATOM 0 HG22 VAL A 101 6.201 24.525 -14.528 1.00 0.00 H new ATOM 0 HG23 VAL A 101 5.414 24.990 -13.001 1.00 0.00 H new ATOM 1546 N ILE A 102 3.986 23.180 -15.565 1.00 0.00 N ATOM 1547 CA ILE A 102 3.854 23.238 -17.052 1.00 0.00 C ATOM 1548 C ILE A 102 4.921 24.170 -17.644 1.00 0.00 C ATOM 1549 O ILE A 102 5.173 25.243 -17.134 1.00 0.00 O ATOM 1550 CB ILE A 102 2.428 23.762 -17.341 1.00 0.00 C ATOM 1551 CG1 ILE A 102 2.371 25.301 -17.249 1.00 0.00 C ATOM 1552 CG2 ILE A 102 1.431 23.148 -16.351 1.00 0.00 C ATOM 1553 CD1 ILE A 102 2.661 25.771 -15.821 1.00 0.00 C ATOM 0 H ILE A 102 3.371 23.810 -15.050 1.00 0.00 H new ATOM 0 HA ILE A 102 4.004 22.259 -17.508 1.00 0.00 H new ATOM 0 HB ILE A 102 2.161 23.468 -18.356 1.00 0.00 H new ATOM 0 HG12 ILE A 102 3.097 25.738 -17.935 1.00 0.00 H new ATOM 0 HG13 ILE A 102 1.387 25.652 -17.560 1.00 0.00 H new ATOM 0 HG21 ILE A 102 0.430 23.523 -16.563 1.00 0.00 H new ATOM 0 HG22 ILE A 102 1.440 22.063 -16.451 1.00 0.00 H new ATOM 0 HG23 ILE A 102 1.713 23.421 -15.334 1.00 0.00 H new ATOM 0 HD11 ILE A 102 2.615 26.859 -15.780 1.00 0.00 H new ATOM 0 HD12 ILE A 102 1.919 25.351 -15.142 1.00 0.00 H new ATOM 0 HD13 ILE A 102 3.655 25.438 -15.523 1.00 0.00 H new