USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 699 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 78 SER OG : rot -116:sc= 0.512 USER MOD Set 1.2: A 82 HIS : no HD1:sc= -4.09! C(o=-3.6!,f=-9.6!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN :FLIP amide:sc= -0.0477 F(o=-1.3!,f=-0.048) USER MOD Single : A 68 SER OG : rot -107:sc= 0.134 USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot -165:sc= 0.238 USER MOD Single : A 93 THR OG1 : rot -58:sc= 0.763 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 HIS : no HD1:sc= -1.32 K(o=-1.3,f=-3.4!) USER MOD Single : A 105 ASN :FLIP amide:sc= -0.0072 F(o=-1.4!,f=-0.0072) USER MOD Single : A 106 ASN :FLIP amide:sc= -3.18! C(o=-4.1!,f=-3.2!) USER MOD Single : A 109 ASN : amide:sc= -4.45! C(o=-4.5!,f=-5.2!) USER MOD Single : A 119 THR OG1 : rot 22:sc= 0.257 USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 ASN : amide:sc= -0.0963 K(o=-0.096,f=-5.6!) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 133 ASN : amide:sc= -1.89! C(o=-1.9!,f=-5!) USER MOD Single : A 138 GLN : amide:sc=-0.00149 K(o=-0.0015,f=-1.5!) USER MOD Single : A 141 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.052) USER MOD Single : A 148 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 416 N GLY A 54 -12.794 -5.239 -4.545 1.00 0.00 N ATOM 417 CA GLY A 54 -12.312 -4.923 -3.167 1.00 0.00 C ATOM 418 C GLY A 54 -10.993 -5.649 -2.906 1.00 0.00 C ATOM 419 O GLY A 54 -10.562 -5.776 -1.779 1.00 0.00 O ATOM 0 HA2 GLY A 54 -12.175 -3.847 -3.057 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -13.057 -5.226 -2.432 1.00 0.00 H new ATOM 423 N LEU A 55 -10.352 -6.127 -3.945 1.00 0.00 N ATOM 424 CA LEU A 55 -9.049 -6.851 -3.780 1.00 0.00 C ATOM 425 C LEU A 55 -7.921 -6.054 -4.427 1.00 0.00 C ATOM 426 O LEU A 55 -8.009 -5.616 -5.557 1.00 0.00 O ATOM 427 CB LEU A 55 -9.161 -8.243 -4.428 1.00 0.00 C ATOM 428 CG LEU A 55 -9.616 -9.278 -3.379 1.00 0.00 C ATOM 429 CD1 LEU A 55 -8.482 -9.541 -2.356 1.00 0.00 C ATOM 430 CD2 LEU A 55 -10.872 -8.765 -2.647 1.00 0.00 C ATOM 0 H LEU A 55 -10.677 -6.047 -4.908 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.825 -6.963 -2.719 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.872 -8.213 -5.253 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.199 -8.537 -4.847 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.853 -10.212 -3.888 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.817 -10.273 -1.622 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.604 -9.924 -2.876 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.226 -8.610 -1.850 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -11.188 -9.501 -1.908 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -10.643 -7.824 -2.147 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -11.674 -8.607 -3.368 1.00 0.00 H new ATOM 442 N ALA A 56 -6.847 -5.881 -3.708 1.00 0.00 N ATOM 443 CA ALA A 56 -5.686 -5.129 -4.252 1.00 0.00 C ATOM 444 C ALA A 56 -4.398 -5.780 -3.760 1.00 0.00 C ATOM 445 O ALA A 56 -4.379 -6.444 -2.740 1.00 0.00 O ATOM 446 CB ALA A 56 -5.745 -3.688 -3.766 1.00 0.00 C ATOM 0 H ALA A 56 -6.725 -6.232 -2.758 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.713 -5.144 -5.342 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.894 -3.135 -4.164 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.671 -3.226 -4.109 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.712 -3.670 -2.677 1.00 0.00 H new ATOM 452 N LEU A 57 -3.323 -5.607 -4.489 1.00 0.00 N ATOM 453 CA LEU A 57 -2.025 -6.224 -4.086 1.00 0.00 C ATOM 454 C LEU A 57 -0.917 -5.180 -4.091 1.00 0.00 C ATOM 455 O LEU A 57 -0.959 -4.200 -4.818 1.00 0.00 O ATOM 456 CB LEU A 57 -1.655 -7.334 -5.074 1.00 0.00 C ATOM 457 CG LEU A 57 -2.717 -8.460 -5.042 1.00 0.00 C ATOM 458 CD1 LEU A 57 -3.793 -8.206 -6.105 1.00 0.00 C ATOM 459 CD2 LEU A 57 -2.049 -9.813 -5.322 1.00 0.00 C ATOM 0 H LEU A 57 -3.291 -5.062 -5.350 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.134 -6.633 -3.082 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.581 -6.924 -6.081 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.676 -7.742 -4.823 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.179 -8.472 -4.055 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.533 -9.005 -6.072 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.281 -7.251 -5.908 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.331 -8.181 -7.092 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.801 -10.602 -5.298 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.578 -9.790 -6.305 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.293 -10.010 -4.562 1.00 0.00 H new ATOM 471 N LEU A 58 0.089 -5.403 -3.283 1.00 0.00 N ATOM 472 CA LEU A 58 1.243 -4.460 -3.210 1.00 0.00 C ATOM 473 C LEU A 58 2.486 -5.174 -3.723 1.00 0.00 C ATOM 474 O LEU A 58 2.815 -6.253 -3.275 1.00 0.00 O ATOM 475 CB LEU A 58 1.452 -4.045 -1.751 1.00 0.00 C ATOM 476 CG LEU A 58 0.189 -3.341 -1.241 1.00 0.00 C ATOM 477 CD1 LEU A 58 0.362 -2.970 0.234 1.00 0.00 C ATOM 478 CD2 LEU A 58 -0.075 -2.071 -2.068 1.00 0.00 C ATOM 0 H LEU A 58 0.159 -6.210 -2.663 1.00 0.00 H new ATOM 0 HA LEU A 58 1.051 -3.574 -3.815 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.667 -4.921 -1.139 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.312 -3.380 -1.669 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.660 -4.017 -1.345 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.538 -2.470 0.591 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.532 -3.874 0.819 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.216 -2.301 0.343 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.974 -1.577 -1.699 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.774 -1.394 -1.977 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.213 -2.341 -3.115 1.00 0.00 H new ATOM 490 N VAL A 59 3.173 -4.585 -4.671 1.00 0.00 N ATOM 491 CA VAL A 59 4.397 -5.233 -5.242 1.00 0.00 C ATOM 492 C VAL A 59 5.612 -4.337 -5.012 1.00 0.00 C ATOM 493 O VAL A 59 5.577 -3.144 -5.240 1.00 0.00 O ATOM 494 CB VAL A 59 4.196 -5.450 -6.745 1.00 0.00 C ATOM 495 CG1 VAL A 59 5.524 -5.860 -7.395 1.00 0.00 C ATOM 496 CG2 VAL A 59 3.161 -6.558 -6.956 1.00 0.00 C ATOM 0 H VAL A 59 2.938 -3.679 -5.076 1.00 0.00 H new ATOM 0 HA VAL A 59 4.564 -6.192 -4.751 1.00 0.00 H new ATOM 0 HB VAL A 59 3.847 -4.524 -7.202 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.374 -6.013 -8.464 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.263 -5.073 -7.241 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.880 -6.786 -6.943 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.012 -6.718 -8.024 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.517 -7.480 -6.497 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.216 -6.265 -6.498 1.00 0.00 H new ATOM 506 N VAL A 60 6.691 -4.915 -4.563 1.00 0.00 N ATOM 507 CA VAL A 60 7.919 -4.117 -4.316 1.00 0.00 C ATOM 508 C VAL A 60 8.529 -3.678 -5.650 1.00 0.00 C ATOM 509 O VAL A 60 8.743 -4.475 -6.542 1.00 0.00 O ATOM 510 CB VAL A 60 8.919 -4.979 -3.548 1.00 0.00 C ATOM 511 CG1 VAL A 60 10.253 -4.238 -3.413 1.00 0.00 C ATOM 512 CG2 VAL A 60 8.352 -5.276 -2.159 1.00 0.00 C ATOM 0 H VAL A 60 6.773 -5.910 -4.356 1.00 0.00 H new ATOM 0 HA VAL A 60 7.673 -3.229 -3.734 1.00 0.00 H new ATOM 0 HB VAL A 60 9.088 -5.911 -4.087 1.00 0.00 H new ATOM 0 HG11 VAL A 60 10.961 -4.860 -2.864 1.00 0.00 H new ATOM 0 HG12 VAL A 60 10.652 -4.023 -4.404 1.00 0.00 H new ATOM 0 HG13 VAL A 60 10.097 -3.303 -2.874 1.00 0.00 H new ATOM 0 HG21 VAL A 60 9.058 -5.891 -1.602 1.00 0.00 H new ATOM 0 HG22 VAL A 60 8.187 -4.340 -1.626 1.00 0.00 H new ATOM 0 HG23 VAL A 60 7.406 -5.809 -2.258 1.00 0.00 H new ATOM 522 N LYS A 61 8.809 -2.410 -5.791 1.00 0.00 N ATOM 523 CA LYS A 61 9.407 -1.902 -7.058 1.00 0.00 C ATOM 524 C LYS A 61 10.928 -2.000 -6.969 1.00 0.00 C ATOM 525 O LYS A 61 11.607 -2.270 -7.940 1.00 0.00 O ATOM 526 CB LYS A 61 8.998 -0.438 -7.249 1.00 0.00 C ATOM 527 CG LYS A 61 9.220 -0.022 -8.706 1.00 0.00 C ATOM 528 CD LYS A 61 8.691 1.398 -8.919 1.00 0.00 C ATOM 529 CE LYS A 61 8.898 1.797 -10.381 1.00 0.00 C ATOM 530 NZ LYS A 61 8.359 3.167 -10.606 1.00 0.00 N ATOM 0 H LYS A 61 8.648 -1.700 -5.077 1.00 0.00 H new ATOM 0 HA LYS A 61 9.054 -2.495 -7.902 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.950 -0.306 -6.979 1.00 0.00 H new ATOM 0 HB3 LYS A 61 9.581 0.201 -6.586 1.00 0.00 H new ATOM 0 HG2 LYS A 61 10.281 -0.066 -8.950 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.710 -0.715 -9.375 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.633 1.447 -8.662 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.211 2.095 -8.262 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.959 1.767 -10.630 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.396 1.086 -11.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 8.501 3.437 -11.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.343 3.181 -10.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.857 3.841 -9.990 1.00 0.00 H new ATOM 544 N ARG A 62 11.469 -1.778 -5.805 1.00 0.00 N ATOM 545 CA ARG A 62 12.946 -1.851 -5.641 1.00 0.00 C ATOM 546 C ARG A 62 13.282 -2.289 -4.223 1.00 0.00 C ATOM 547 O ARG A 62 12.763 -1.759 -3.260 1.00 0.00 O ATOM 548 CB ARG A 62 13.558 -0.471 -5.899 1.00 0.00 C ATOM 549 CG ARG A 62 15.086 -0.552 -5.805 1.00 0.00 C ATOM 550 CD ARG A 62 15.692 0.825 -6.092 1.00 0.00 C ATOM 551 NE ARG A 62 15.272 1.783 -5.029 1.00 0.00 N ATOM 552 CZ ARG A 62 15.562 3.053 -5.131 1.00 0.00 C ATOM 553 NH1 ARG A 62 16.227 3.493 -6.164 1.00 0.00 N ATOM 554 NH2 ARG A 62 15.184 3.884 -4.198 1.00 0.00 N ATOM 0 H ARG A 62 10.950 -1.548 -4.957 1.00 0.00 H new ATOM 0 HA ARG A 62 13.351 -2.572 -6.352 1.00 0.00 H new ATOM 0 HB2 ARG A 62 13.264 -0.112 -6.885 1.00 0.00 H new ATOM 0 HB3 ARG A 62 13.178 0.247 -5.172 1.00 0.00 H new ATOM 0 HG2 ARG A 62 15.382 -0.891 -4.812 1.00 0.00 H new ATOM 0 HG3 ARG A 62 15.466 -1.284 -6.518 1.00 0.00 H new ATOM 0 HD2 ARG A 62 16.779 0.756 -6.126 1.00 0.00 H new ATOM 0 HD3 ARG A 62 15.365 1.182 -7.069 1.00 0.00 H new ATOM 0 HE ARG A 62 14.755 1.445 -4.217 1.00 0.00 H new ATOM 0 HH11 ARG A 62 16.522 2.845 -6.894 1.00 0.00 H new ATOM 0 HH12 ARG A 62 16.452 4.485 -6.241 1.00 0.00 H new ATOM 0 HH21 ARG A 62 14.663 3.542 -3.391 1.00 0.00 H new ATOM 0 HH22 ARG A 62 15.410 4.876 -4.276 1.00 0.00 H new ATOM 568 N GLY A 63 14.165 -3.239 -4.084 1.00 0.00 N ATOM 569 CA GLY A 63 14.565 -3.699 -2.726 1.00 0.00 C ATOM 570 C GLY A 63 14.756 -5.221 -2.720 1.00 0.00 C ATOM 571 O GLY A 63 14.384 -5.902 -3.655 1.00 0.00 O ATOM 0 H GLY A 63 14.628 -3.718 -4.856 1.00 0.00 H new ATOM 0 HA2 GLY A 63 15.490 -3.207 -2.425 1.00 0.00 H new ATOM 0 HA3 GLY A 63 13.803 -3.417 -1.999 1.00 0.00 H new ATOM 575 N PRO A 64 15.312 -5.752 -1.656 1.00 0.00 N ATOM 576 CA PRO A 64 15.531 -7.228 -1.506 1.00 0.00 C ATOM 577 C PRO A 64 14.245 -8.023 -1.757 1.00 0.00 C ATOM 578 O PRO A 64 14.255 -9.079 -2.359 1.00 0.00 O ATOM 579 CB PRO A 64 15.963 -7.378 -0.037 1.00 0.00 C ATOM 580 CG PRO A 64 16.557 -6.060 0.333 1.00 0.00 C ATOM 581 CD PRO A 64 15.799 -5.008 -0.478 1.00 0.00 C ATOM 0 HA PRO A 64 16.260 -7.609 -2.221 1.00 0.00 H new ATOM 0 HB2 PRO A 64 15.113 -7.620 0.601 1.00 0.00 H new ATOM 0 HB3 PRO A 64 16.688 -8.183 0.080 1.00 0.00 H new ATOM 0 HG2 PRO A 64 16.456 -5.874 1.402 1.00 0.00 H new ATOM 0 HG3 PRO A 64 17.622 -6.035 0.104 1.00 0.00 H new ATOM 0 HD2 PRO A 64 14.975 -4.580 0.093 1.00 0.00 H new ATOM 0 HD3 PRO A 64 16.449 -4.182 -0.768 1.00 0.00 H new ATOM 589 N ASN A 65 13.142 -7.514 -1.292 1.00 0.00 N ATOM 590 CA ASN A 65 11.847 -8.215 -1.488 1.00 0.00 C ATOM 591 C ASN A 65 11.323 -7.892 -2.888 1.00 0.00 C ATOM 592 O ASN A 65 10.132 -7.834 -3.124 1.00 0.00 O ATOM 593 CB ASN A 65 10.855 -7.725 -0.430 1.00 0.00 C ATOM 594 CG ASN A 65 11.292 -8.215 0.956 1.00 0.00 C ATOM 595 OD1 ASN A 65 11.980 -9.321 1.065 1.00 0.00 O flip ATOM 596 ND2 ASN A 65 11.004 -7.583 1.953 1.00 0.00 N flip ATOM 0 H ASN A 65 13.082 -6.634 -0.780 1.00 0.00 H new ATOM 0 HA ASN A 65 11.975 -9.293 -1.389 1.00 0.00 H new ATOM 0 HB2 ASN A 65 10.804 -6.636 -0.442 1.00 0.00 H new ATOM 0 HB3 ASN A 65 9.855 -8.093 -0.658 1.00 0.00 H new ATOM 0 HD21 ASN A 65 10.467 -6.719 1.872 1.00 0.00 H new ATOM 0 HD22 ASN A 65 11.299 -7.916 2.871 1.00 0.00 H new ATOM 603 N ALA A 66 12.215 -7.668 -3.816 1.00 0.00 N ATOM 604 CA ALA A 66 11.787 -7.330 -5.203 1.00 0.00 C ATOM 605 C ALA A 66 11.012 -8.497 -5.818 1.00 0.00 C ATOM 606 O ALA A 66 11.413 -9.642 -5.734 1.00 0.00 O ATOM 607 CB ALA A 66 13.024 -7.029 -6.049 1.00 0.00 C ATOM 0 H ALA A 66 13.224 -7.705 -3.672 1.00 0.00 H new ATOM 0 HA ALA A 66 11.136 -6.456 -5.176 1.00 0.00 H new ATOM 0 HB1 ALA A 66 12.718 -6.781 -7.065 1.00 0.00 H new ATOM 0 HB2 ALA A 66 13.564 -6.187 -5.617 1.00 0.00 H new ATOM 0 HB3 ALA A 66 13.673 -7.905 -6.069 1.00 0.00 H new ATOM 613 N GLY A 67 9.904 -8.204 -6.444 1.00 0.00 N ATOM 614 CA GLY A 67 9.081 -9.277 -7.075 1.00 0.00 C ATOM 615 C GLY A 67 8.079 -9.788 -6.042 1.00 0.00 C ATOM 616 O GLY A 67 7.116 -10.454 -6.363 1.00 0.00 O ATOM 0 H GLY A 67 9.531 -7.260 -6.546 1.00 0.00 H new ATOM 0 HA2 GLY A 67 8.559 -8.889 -7.950 1.00 0.00 H new ATOM 0 HA3 GLY A 67 9.719 -10.091 -7.419 1.00 0.00 H new ATOM 620 N SER A 68 8.307 -9.475 -4.797 1.00 0.00 N ATOM 621 CA SER A 68 7.383 -9.936 -3.724 1.00 0.00 C ATOM 622 C SER A 68 6.012 -9.283 -3.896 1.00 0.00 C ATOM 623 O SER A 68 5.901 -8.137 -4.299 1.00 0.00 O ATOM 624 CB SER A 68 7.959 -9.559 -2.364 1.00 0.00 C ATOM 625 OG SER A 68 7.159 -10.136 -1.340 1.00 0.00 O ATOM 0 H SER A 68 9.098 -8.917 -4.475 1.00 0.00 H new ATOM 0 HA SER A 68 7.272 -11.018 -3.789 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.987 -9.912 -2.281 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.984 -8.475 -2.255 1.00 0.00 H new ATOM 0 HG SER A 68 6.630 -9.435 -0.904 1.00 0.00 H new ATOM 631 N ARG A 69 4.965 -10.007 -3.586 1.00 0.00 N ATOM 632 CA ARG A 69 3.586 -9.451 -3.719 1.00 0.00 C ATOM 633 C ARG A 69 2.756 -9.835 -2.496 1.00 0.00 C ATOM 634 O ARG A 69 2.956 -10.874 -1.898 1.00 0.00 O ATOM 635 CB ARG A 69 2.938 -10.011 -4.989 1.00 0.00 C ATOM 636 CG ARG A 69 2.837 -11.538 -4.907 1.00 0.00 C ATOM 637 CD ARG A 69 2.203 -12.065 -6.195 1.00 0.00 C ATOM 638 NE ARG A 69 2.103 -13.553 -6.138 1.00 0.00 N ATOM 639 CZ ARG A 69 1.057 -14.130 -5.603 1.00 0.00 C ATOM 640 NH1 ARG A 69 0.083 -13.411 -5.116 1.00 0.00 N ATOM 641 NH2 ARG A 69 0.986 -15.432 -5.564 1.00 0.00 N ATOM 0 H ARG A 69 5.009 -10.967 -3.244 1.00 0.00 H new ATOM 0 HA ARG A 69 3.633 -8.364 -3.786 1.00 0.00 H new ATOM 0 HB2 ARG A 69 1.945 -9.581 -5.119 1.00 0.00 H new ATOM 0 HB3 ARG A 69 3.526 -9.725 -5.861 1.00 0.00 H new ATOM 0 HG2 ARG A 69 3.826 -11.974 -4.769 1.00 0.00 H new ATOM 0 HG3 ARG A 69 2.237 -11.830 -4.045 1.00 0.00 H new ATOM 0 HD2 ARG A 69 1.213 -11.630 -6.328 1.00 0.00 H new ATOM 0 HD3 ARG A 69 2.801 -11.764 -7.055 1.00 0.00 H new ATOM 0 HE ARG A 69 2.856 -14.125 -6.519 1.00 0.00 H new ATOM 0 HH11 ARG A 69 0.134 -12.393 -5.151 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -0.729 -13.867 -4.701 1.00 0.00 H new ATOM 0 HH21 ARG A 69 1.744 -15.996 -5.949 1.00 0.00 H new ATOM 0 HH22 ARG A 69 0.173 -15.886 -5.148 1.00 0.00 H new ATOM 655 N PHE A 70 1.823 -8.996 -2.121 1.00 0.00 N ATOM 656 CA PHE A 70 0.963 -9.285 -0.934 1.00 0.00 C ATOM 657 C PHE A 70 -0.499 -9.129 -1.326 1.00 0.00 C ATOM 658 O PHE A 70 -0.830 -8.400 -2.240 1.00 0.00 O ATOM 659 CB PHE A 70 1.296 -8.299 0.180 1.00 0.00 C ATOM 660 CG PHE A 70 2.715 -8.531 0.631 1.00 0.00 C ATOM 661 CD1 PHE A 70 2.994 -9.524 1.577 1.00 0.00 C ATOM 662 CD2 PHE A 70 3.755 -7.759 0.097 1.00 0.00 C ATOM 663 CE1 PHE A 70 4.312 -9.745 1.991 1.00 0.00 C ATOM 664 CE2 PHE A 70 5.072 -7.981 0.511 1.00 0.00 C ATOM 665 CZ PHE A 70 5.351 -8.973 1.458 1.00 0.00 C ATOM 0 H PHE A 70 1.619 -8.114 -2.592 1.00 0.00 H new ATOM 0 HA PHE A 70 1.143 -10.303 -0.587 1.00 0.00 H new ATOM 0 HB2 PHE A 70 1.176 -7.275 -0.175 1.00 0.00 H new ATOM 0 HB3 PHE A 70 0.609 -8.429 1.016 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.192 -10.120 1.987 1.00 0.00 H new ATOM 0 HD2 PHE A 70 3.540 -6.993 -0.634 1.00 0.00 H new ATOM 0 HE1 PHE A 70 4.528 -10.511 2.721 1.00 0.00 H new ATOM 0 HE2 PHE A 70 5.874 -7.387 0.100 1.00 0.00 H new ATOM 0 HZ PHE A 70 6.368 -9.143 1.778 1.00 0.00 H new ATOM 675 N LEU A 71 -1.375 -9.821 -0.643 1.00 0.00 N ATOM 676 CA LEU A 71 -2.837 -9.747 -0.960 1.00 0.00 C ATOM 677 C LEU A 71 -3.577 -9.015 0.162 1.00 0.00 C ATOM 678 O LEU A 71 -3.248 -9.152 1.325 1.00 0.00 O ATOM 679 CB LEU A 71 -3.385 -11.170 -1.093 1.00 0.00 C ATOM 680 CG LEU A 71 -4.864 -11.134 -1.507 1.00 0.00 C ATOM 681 CD1 LEU A 71 -5.019 -10.482 -2.895 1.00 0.00 C ATOM 682 CD2 LEU A 71 -5.405 -12.568 -1.545 1.00 0.00 C ATOM 0 H LEU A 71 -1.138 -10.442 0.131 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.983 -9.202 -1.893 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.806 -11.722 -1.833 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.278 -11.698 -0.146 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.426 -10.543 -0.784 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.073 -10.464 -3.173 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.635 -9.462 -2.863 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.459 -11.057 -3.632 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.455 -12.553 -1.838 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.835 -13.153 -2.267 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.310 -13.019 -0.557 1.00 0.00 H new ATOM 694 N LEU A 72 -4.580 -8.235 -0.182 1.00 0.00 N ATOM 695 CA LEU A 72 -5.360 -7.484 0.851 1.00 0.00 C ATOM 696 C LEU A 72 -6.810 -7.968 0.854 1.00 0.00 C ATOM 697 O LEU A 72 -7.689 -7.331 0.308 1.00 0.00 O ATOM 698 CB LEU A 72 -5.314 -5.991 0.525 1.00 0.00 C ATOM 699 CG LEU A 72 -3.855 -5.515 0.498 1.00 0.00 C ATOM 700 CD1 LEU A 72 -3.815 -4.028 0.137 1.00 0.00 C ATOM 701 CD2 LEU A 72 -3.197 -5.732 1.875 1.00 0.00 C ATOM 0 H LEU A 72 -4.891 -8.088 -1.142 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.926 -7.657 1.836 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.786 -5.804 -0.440 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.877 -5.428 1.270 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.306 -6.090 -0.247 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.780 -3.686 0.117 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.265 -3.880 -0.844 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.371 -3.458 0.881 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.163 -5.390 1.842 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.742 -5.167 2.632 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -3.221 -6.792 2.127 1.00 0.00 H new ATOM 713 N ASP A 73 -7.061 -9.096 1.471 1.00 0.00 N ATOM 714 CA ASP A 73 -8.446 -9.647 1.541 1.00 0.00 C ATOM 715 C ASP A 73 -8.937 -9.539 2.985 1.00 0.00 C ATOM 716 O ASP A 73 -9.571 -10.436 3.506 1.00 0.00 O ATOM 717 CB ASP A 73 -8.427 -11.117 1.107 1.00 0.00 C ATOM 718 CG ASP A 73 -9.856 -11.663 1.077 1.00 0.00 C ATOM 719 OD1 ASP A 73 -10.748 -10.962 1.526 1.00 0.00 O ATOM 720 OD2 ASP A 73 -10.035 -12.774 0.602 1.00 0.00 O ATOM 0 H ASP A 73 -6.353 -9.665 1.935 1.00 0.00 H new ATOM 0 HA ASP A 73 -9.111 -9.090 0.881 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -7.971 -11.210 0.121 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.818 -11.702 1.796 1.00 0.00 H new ATOM 725 N GLN A 74 -8.645 -8.436 3.635 1.00 0.00 N ATOM 726 CA GLN A 74 -9.087 -8.242 5.052 1.00 0.00 C ATOM 727 C GLN A 74 -9.640 -6.827 5.223 1.00 0.00 C ATOM 728 O GLN A 74 -9.238 -5.903 4.545 1.00 0.00 O ATOM 729 CB GLN A 74 -7.900 -8.443 6.001 1.00 0.00 C ATOM 730 CG GLN A 74 -7.510 -9.921 6.014 1.00 0.00 C ATOM 731 CD GLN A 74 -6.311 -10.133 6.938 1.00 0.00 C ATOM 732 OE1 GLN A 74 -5.866 -9.214 7.597 1.00 0.00 O ATOM 733 NE2 GLN A 74 -5.768 -11.317 7.017 1.00 0.00 N ATOM 0 H GLN A 74 -8.116 -7.658 3.241 1.00 0.00 H new ATOM 0 HA GLN A 74 -9.863 -8.970 5.288 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -7.055 -7.835 5.679 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -8.164 -8.116 7.007 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -8.352 -10.526 6.351 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -7.265 -10.251 5.004 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -6.142 -12.088 6.463 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -4.969 -11.472 7.632 1.00 0.00 H new ATOM 742 N ALA A 75 -10.566 -6.656 6.123 1.00 0.00 N ATOM 743 CA ALA A 75 -11.157 -5.306 6.344 1.00 0.00 C ATOM 744 C ALA A 75 -10.061 -4.327 6.763 1.00 0.00 C ATOM 745 O ALA A 75 -9.947 -3.244 6.220 1.00 0.00 O ATOM 746 CB ALA A 75 -12.198 -5.401 7.457 1.00 0.00 C ATOM 0 H ALA A 75 -10.941 -7.395 6.718 1.00 0.00 H new ATOM 0 HA ALA A 75 -11.622 -4.953 5.424 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -12.638 -4.419 7.628 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -12.979 -6.103 7.165 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -11.721 -5.749 8.373 1.00 0.00 H new ATOM 752 N ILE A 76 -9.255 -4.703 7.722 1.00 0.00 N ATOM 753 CA ILE A 76 -8.151 -3.807 8.186 1.00 0.00 C ATOM 754 C ILE A 76 -6.834 -4.575 8.159 1.00 0.00 C ATOM 755 O ILE A 76 -6.723 -5.650 8.717 1.00 0.00 O ATOM 756 CB ILE A 76 -8.441 -3.335 9.612 1.00 0.00 C ATOM 757 CG1 ILE A 76 -9.703 -2.470 9.606 1.00 0.00 C ATOM 758 CG2 ILE A 76 -7.253 -2.514 10.126 1.00 0.00 C ATOM 759 CD1 ILE A 76 -10.154 -2.206 11.043 1.00 0.00 C ATOM 0 H ILE A 76 -9.314 -5.598 8.207 1.00 0.00 H new ATOM 0 HA ILE A 76 -8.081 -2.941 7.527 1.00 0.00 H new ATOM 0 HB ILE A 76 -8.593 -4.195 10.264 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -9.506 -1.526 9.097 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -10.497 -2.971 9.052 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -7.457 -2.176 11.142 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -6.355 -3.132 10.122 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.101 -1.649 9.480 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -11.053 -1.590 11.035 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -10.368 -3.154 11.537 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -9.363 -1.686 11.583 1.00 0.00 H new ATOM 771 N THR A 77 -5.833 -4.028 7.516 1.00 0.00 N ATOM 772 CA THR A 77 -4.503 -4.708 7.444 1.00 0.00 C ATOM 773 C THR A 77 -3.433 -3.776 8.012 1.00 0.00 C ATOM 774 O THR A 77 -3.289 -2.646 7.587 1.00 0.00 O ATOM 775 CB THR A 77 -4.181 -5.036 5.987 1.00 0.00 C ATOM 776 OG1 THR A 77 -5.208 -5.862 5.455 1.00 0.00 O ATOM 777 CG2 THR A 77 -2.843 -5.773 5.915 1.00 0.00 C ATOM 0 H THR A 77 -5.881 -3.131 7.033 1.00 0.00 H new ATOM 0 HA THR A 77 -4.526 -5.631 8.024 1.00 0.00 H new ATOM 0 HB THR A 77 -4.118 -4.114 5.409 1.00 0.00 H new ATOM 0 HG1 THR A 77 -5.006 -6.073 4.520 1.00 0.00 H new ATOM 0 HG21 THR A 77 -2.612 -6.008 4.876 1.00 0.00 H new ATOM 0 HG22 THR A 77 -2.057 -5.141 6.328 1.00 0.00 H new ATOM 0 HG23 THR A 77 -2.905 -6.697 6.490 1.00 0.00 H new ATOM 785 N SER A 78 -2.689 -4.237 8.981 1.00 0.00 N ATOM 786 CA SER A 78 -1.631 -3.384 9.599 1.00 0.00 C ATOM 787 C SER A 78 -0.269 -3.699 8.989 1.00 0.00 C ATOM 788 O SER A 78 -0.103 -4.673 8.280 1.00 0.00 O ATOM 789 CB SER A 78 -1.579 -3.662 11.096 1.00 0.00 C ATOM 790 OG SER A 78 -0.444 -3.012 11.652 1.00 0.00 O ATOM 0 H SER A 78 -2.769 -5.175 9.374 1.00 0.00 H new ATOM 0 HA SER A 78 -1.869 -2.336 9.415 1.00 0.00 H new ATOM 0 HB2 SER A 78 -2.490 -3.304 11.576 1.00 0.00 H new ATOM 0 HB3 SER A 78 -1.524 -4.735 11.277 1.00 0.00 H new ATOM 0 HG SER A 78 0.179 -3.683 12.000 1.00 0.00 H new ATOM 796 N ALA A 79 0.709 -2.868 9.260 1.00 0.00 N ATOM 797 CA ALA A 79 2.081 -3.085 8.707 1.00 0.00 C ATOM 798 C ALA A 79 3.065 -3.337 9.850 1.00 0.00 C ATOM 799 O ALA A 79 2.704 -3.354 11.010 1.00 0.00 O ATOM 800 CB ALA A 79 2.514 -1.831 7.947 1.00 0.00 C ATOM 0 H ALA A 79 0.612 -2.040 9.848 1.00 0.00 H new ATOM 0 HA ALA A 79 2.071 -3.947 8.039 1.00 0.00 H new ATOM 0 HB1 ALA A 79 3.514 -1.980 7.540 1.00 0.00 H new ATOM 0 HB2 ALA A 79 1.815 -1.640 7.133 1.00 0.00 H new ATOM 0 HB3 ALA A 79 2.522 -0.978 8.626 1.00 0.00 H new ATOM 806 N GLY A 80 4.313 -3.523 9.519 1.00 0.00 N ATOM 807 CA GLY A 80 5.351 -3.750 10.561 1.00 0.00 C ATOM 808 C GLY A 80 5.097 -5.053 11.316 1.00 0.00 C ATOM 809 O GLY A 80 4.838 -6.086 10.733 1.00 0.00 O ATOM 0 H GLY A 80 4.661 -3.527 8.560 1.00 0.00 H new ATOM 0 HA2 GLY A 80 6.336 -3.782 10.096 1.00 0.00 H new ATOM 0 HA3 GLY A 80 5.356 -2.915 11.262 1.00 0.00 H new ATOM 813 N ARG A 81 5.201 -5.013 12.615 1.00 0.00 N ATOM 814 CA ARG A 81 5.000 -6.246 13.418 1.00 0.00 C ATOM 815 C ARG A 81 3.516 -6.588 13.477 1.00 0.00 C ATOM 816 O ARG A 81 2.687 -5.740 13.729 1.00 0.00 O ATOM 817 CB ARG A 81 5.522 -6.006 14.835 1.00 0.00 C ATOM 818 CG ARG A 81 7.008 -5.618 14.794 1.00 0.00 C ATOM 819 CD ARG A 81 7.881 -6.857 14.552 1.00 0.00 C ATOM 820 NE ARG A 81 9.317 -6.483 14.697 1.00 0.00 N ATOM 821 CZ ARG A 81 10.251 -7.376 14.507 1.00 0.00 C ATOM 822 NH1 ARG A 81 9.935 -8.595 14.163 1.00 0.00 N ATOM 823 NH2 ARG A 81 11.503 -7.045 14.657 1.00 0.00 N ATOM 0 H ARG A 81 5.417 -4.175 13.155 1.00 0.00 H new ATOM 0 HA ARG A 81 5.539 -7.074 12.957 1.00 0.00 H new ATOM 0 HB2 ARG A 81 4.945 -5.215 15.314 1.00 0.00 H new ATOM 0 HB3 ARG A 81 5.390 -6.905 15.436 1.00 0.00 H new ATOM 0 HG2 ARG A 81 7.177 -4.887 14.004 1.00 0.00 H new ATOM 0 HG3 ARG A 81 7.292 -5.144 15.733 1.00 0.00 H new ATOM 0 HD2 ARG A 81 7.624 -7.642 15.263 1.00 0.00 H new ATOM 0 HD3 ARG A 81 7.696 -7.257 13.555 1.00 0.00 H new ATOM 0 HE ARG A 81 9.571 -5.527 14.945 1.00 0.00 H new ATOM 0 HH11 ARG A 81 8.956 -8.853 14.042 1.00 0.00 H new ATOM 0 HH12 ARG A 81 10.667 -9.289 14.016 1.00 0.00 H new ATOM 0 HH21 ARG A 81 11.750 -6.092 14.922 1.00 0.00 H new ATOM 0 HH22 ARG A 81 12.235 -7.740 14.510 1.00 0.00 H new ATOM 837 N HIS A 82 3.187 -7.832 13.259 1.00 0.00 N ATOM 838 CA HIS A 82 1.763 -8.265 13.305 1.00 0.00 C ATOM 839 C HIS A 82 1.654 -9.672 12.698 1.00 0.00 C ATOM 840 O HIS A 82 1.363 -9.821 11.530 1.00 0.00 O ATOM 841 CB HIS A 82 0.884 -7.277 12.497 1.00 0.00 C ATOM 842 CG HIS A 82 0.210 -6.307 13.429 1.00 0.00 C ATOM 843 ND1 HIS A 82 0.367 -4.940 13.305 1.00 0.00 N ATOM 844 CD2 HIS A 82 -0.599 -6.499 14.519 1.00 0.00 C ATOM 845 CE1 HIS A 82 -0.331 -4.362 14.297 1.00 0.00 C ATOM 846 NE2 HIS A 82 -0.940 -5.268 15.069 1.00 0.00 N ATOM 0 H HIS A 82 3.853 -8.575 13.048 1.00 0.00 H new ATOM 0 HA HIS A 82 1.416 -8.279 14.338 1.00 0.00 H new ATOM 0 HB2 HIS A 82 1.498 -6.736 11.778 1.00 0.00 H new ATOM 0 HB3 HIS A 82 0.135 -7.826 11.927 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -0.922 -7.459 14.893 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -0.393 -3.295 14.452 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -1.527 -5.094 15.885 1.00 0.00 H new ATOM 854 N PRO A 83 1.866 -10.695 13.484 1.00 0.00 N ATOM 855 CA PRO A 83 1.761 -12.098 12.998 1.00 0.00 C ATOM 856 C PRO A 83 0.419 -12.336 12.294 1.00 0.00 C ATOM 857 O PRO A 83 0.330 -13.063 11.323 1.00 0.00 O ATOM 858 CB PRO A 83 1.869 -12.942 14.281 1.00 0.00 C ATOM 859 CG PRO A 83 2.595 -12.074 15.263 1.00 0.00 C ATOM 860 CD PRO A 83 2.232 -10.630 14.911 1.00 0.00 C ATOM 0 HA PRO A 83 2.528 -12.348 12.265 1.00 0.00 H new ATOM 0 HB2 PRO A 83 0.883 -13.219 14.654 1.00 0.00 H new ATOM 0 HB3 PRO A 83 2.412 -13.869 14.098 1.00 0.00 H new ATOM 0 HG2 PRO A 83 2.299 -12.311 16.285 1.00 0.00 H new ATOM 0 HG3 PRO A 83 3.672 -12.231 15.199 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.404 -10.266 15.520 1.00 0.00 H new ATOM 0 HD3 PRO A 83 3.071 -9.955 15.078 1.00 0.00 H new ATOM 868 N ASP A 84 -0.628 -11.727 12.786 1.00 0.00 N ATOM 869 CA ASP A 84 -1.972 -11.909 12.162 1.00 0.00 C ATOM 870 C ASP A 84 -2.235 -10.772 11.166 1.00 0.00 C ATOM 871 O ASP A 84 -3.041 -9.894 11.407 1.00 0.00 O ATOM 872 CB ASP A 84 -3.037 -11.894 13.261 1.00 0.00 C ATOM 873 CG ASP A 84 -4.414 -12.153 12.651 1.00 0.00 C ATOM 874 OD1 ASP A 84 -4.507 -12.175 11.434 1.00 0.00 O ATOM 875 OD2 ASP A 84 -5.353 -12.330 13.410 1.00 0.00 O ATOM 0 H ASP A 84 -0.610 -11.109 13.597 1.00 0.00 H new ATOM 0 HA ASP A 84 -2.008 -12.860 11.631 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -2.812 -12.654 14.009 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -3.031 -10.932 13.773 1.00 0.00 H new ATOM 880 N SER A 85 -1.569 -10.786 10.042 1.00 0.00 N ATOM 881 CA SER A 85 -1.789 -9.717 9.029 1.00 0.00 C ATOM 882 C SER A 85 -1.103 -10.110 7.717 1.00 0.00 C ATOM 883 O SER A 85 -0.089 -10.780 7.710 1.00 0.00 O ATOM 884 CB SER A 85 -1.207 -8.392 9.534 1.00 0.00 C ATOM 885 OG SER A 85 -1.403 -7.398 8.540 1.00 0.00 O ATOM 0 H SER A 85 -0.881 -11.493 9.783 1.00 0.00 H new ATOM 0 HA SER A 85 -2.859 -9.596 8.861 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.693 -8.097 10.464 1.00 0.00 H new ATOM 0 HB3 SER A 85 -0.145 -8.505 9.751 1.00 0.00 H new ATOM 0 HG SER A 85 -0.835 -6.624 8.735 1.00 0.00 H new ATOM 891 N ASP A 86 -1.655 -9.702 6.607 1.00 0.00 N ATOM 892 CA ASP A 86 -1.045 -10.045 5.288 1.00 0.00 C ATOM 893 C ASP A 86 0.343 -9.409 5.181 1.00 0.00 C ATOM 894 O ASP A 86 1.277 -10.008 4.684 1.00 0.00 O ATOM 895 CB ASP A 86 -1.934 -9.494 4.171 1.00 0.00 C ATOM 896 CG ASP A 86 -3.219 -10.318 4.082 1.00 0.00 C ATOM 897 OD1 ASP A 86 -3.238 -11.414 4.621 1.00 0.00 O ATOM 898 OD2 ASP A 86 -4.164 -9.840 3.476 1.00 0.00 O ATOM 0 H ASP A 86 -2.507 -9.143 6.555 1.00 0.00 H new ATOM 0 HA ASP A 86 -0.956 -11.128 5.198 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -2.174 -8.449 4.366 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -1.402 -9.527 3.220 1.00 0.00 H new ATOM 903 N ILE A 87 0.476 -8.192 5.623 1.00 0.00 N ATOM 904 CA ILE A 87 1.795 -7.504 5.533 1.00 0.00 C ATOM 905 C ILE A 87 2.657 -7.875 6.734 1.00 0.00 C ATOM 906 O ILE A 87 2.272 -7.692 7.873 1.00 0.00 O ATOM 907 CB ILE A 87 1.563 -5.993 5.503 1.00 0.00 C ATOM 908 CG1 ILE A 87 0.539 -5.658 4.411 1.00 0.00 C ATOM 909 CG2 ILE A 87 2.878 -5.262 5.224 1.00 0.00 C ATOM 910 CD1 ILE A 87 0.971 -6.259 3.066 1.00 0.00 C ATOM 0 H ILE A 87 -0.272 -7.641 6.044 1.00 0.00 H new ATOM 0 HA ILE A 87 2.311 -7.814 4.625 1.00 0.00 H new ATOM 0 HB ILE A 87 1.182 -5.669 6.472 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -0.440 -6.046 4.691 1.00 0.00 H new ATOM 0 HG13 ILE A 87 0.439 -4.577 4.317 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.700 -4.187 5.205 1.00 0.00 H new ATOM 0 HG22 ILE A 87 3.598 -5.497 6.008 1.00 0.00 H new ATOM 0 HG23 ILE A 87 3.274 -5.581 4.260 1.00 0.00 H new ATOM 0 HD11 ILE A 87 0.233 -6.011 2.303 1.00 0.00 H new ATOM 0 HD12 ILE A 87 1.940 -5.851 2.779 1.00 0.00 H new ATOM 0 HD13 ILE A 87 1.047 -7.342 3.159 1.00 0.00 H new ATOM 922 N PHE A 88 3.827 -8.400 6.480 1.00 0.00 N ATOM 923 CA PHE A 88 4.751 -8.797 7.583 1.00 0.00 C ATOM 924 C PHE A 88 6.137 -8.211 7.303 1.00 0.00 C ATOM 925 O PHE A 88 6.986 -8.859 6.720 1.00 0.00 O ATOM 926 CB PHE A 88 4.829 -10.323 7.631 1.00 0.00 C ATOM 927 CG PHE A 88 5.749 -10.749 8.746 1.00 0.00 C ATOM 928 CD1 PHE A 88 5.290 -10.743 10.068 1.00 0.00 C ATOM 929 CD2 PHE A 88 7.059 -11.147 8.459 1.00 0.00 C ATOM 930 CE1 PHE A 88 6.142 -11.137 11.104 1.00 0.00 C ATOM 931 CE2 PHE A 88 7.912 -11.541 9.496 1.00 0.00 C ATOM 932 CZ PHE A 88 7.454 -11.536 10.820 1.00 0.00 C ATOM 0 H PHE A 88 4.186 -8.573 5.541 1.00 0.00 H new ATOM 0 HA PHE A 88 4.388 -8.422 8.540 1.00 0.00 H new ATOM 0 HB2 PHE A 88 3.835 -10.743 7.786 1.00 0.00 H new ATOM 0 HB3 PHE A 88 5.193 -10.708 6.679 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.279 -10.434 10.288 1.00 0.00 H new ATOM 0 HD2 PHE A 88 7.412 -11.150 7.438 1.00 0.00 H new ATOM 0 HE1 PHE A 88 5.788 -11.134 12.124 1.00 0.00 H new ATOM 0 HE2 PHE A 88 8.923 -11.849 9.276 1.00 0.00 H new ATOM 0 HZ PHE A 88 8.112 -11.840 11.621 1.00 0.00 H new ATOM 942 N LEU A 89 6.370 -6.985 7.704 1.00 0.00 N ATOM 943 CA LEU A 89 7.698 -6.338 7.462 1.00 0.00 C ATOM 944 C LEU A 89 8.492 -6.289 8.766 1.00 0.00 C ATOM 945 O LEU A 89 8.012 -5.829 9.782 1.00 0.00 O ATOM 946 CB LEU A 89 7.476 -4.914 6.940 1.00 0.00 C ATOM 947 CG LEU A 89 6.719 -4.962 5.604 1.00 0.00 C ATOM 948 CD1 LEU A 89 6.389 -3.535 5.151 1.00 0.00 C ATOM 949 CD2 LEU A 89 7.577 -5.655 4.528 1.00 0.00 C ATOM 0 H LEU A 89 5.692 -6.400 8.192 1.00 0.00 H new ATOM 0 HA LEU A 89 8.257 -6.915 6.726 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.910 -4.334 7.669 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.434 -4.412 6.808 1.00 0.00 H new ATOM 0 HG LEU A 89 5.797 -5.528 5.741 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.852 -3.569 4.203 1.00 0.00 H new ATOM 0 HD12 LEU A 89 5.767 -3.049 5.903 1.00 0.00 H new ATOM 0 HD13 LEU A 89 7.313 -2.971 5.024 1.00 0.00 H new ATOM 0 HD21 LEU A 89 7.028 -5.682 3.587 1.00 0.00 H new ATOM 0 HD22 LEU A 89 8.506 -5.101 4.391 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.805 -6.673 4.844 1.00 0.00 H new ATOM 961 N ASP A 90 9.715 -6.759 8.737 1.00 0.00 N ATOM 962 CA ASP A 90 10.572 -6.744 9.961 1.00 0.00 C ATOM 963 C ASP A 90 11.966 -6.248 9.576 1.00 0.00 C ATOM 964 O ASP A 90 12.855 -7.024 9.288 1.00 0.00 O ATOM 965 CB ASP A 90 10.666 -8.162 10.535 1.00 0.00 C ATOM 966 CG ASP A 90 9.345 -8.523 11.213 1.00 0.00 C ATOM 967 OD1 ASP A 90 8.532 -7.631 11.395 1.00 0.00 O ATOM 968 OD2 ASP A 90 9.165 -9.684 11.545 1.00 0.00 O ATOM 0 H ASP A 90 10.159 -7.156 7.909 1.00 0.00 H new ATOM 0 HA ASP A 90 10.140 -6.084 10.713 1.00 0.00 H new ATOM 0 HB2 ASP A 90 10.886 -8.874 9.740 1.00 0.00 H new ATOM 0 HB3 ASP A 90 11.484 -8.222 11.253 1.00 0.00 H new ATOM 973 N ASP A 91 12.163 -4.954 9.565 1.00 0.00 N ATOM 974 CA ASP A 91 13.500 -4.403 9.194 1.00 0.00 C ATOM 975 C ASP A 91 13.651 -2.982 9.740 1.00 0.00 C ATOM 976 O ASP A 91 12.764 -2.445 10.372 1.00 0.00 O ATOM 977 CB ASP A 91 13.654 -4.371 7.670 1.00 0.00 C ATOM 978 CG ASP A 91 13.836 -5.794 7.148 1.00 0.00 C ATOM 979 OD1 ASP A 91 14.599 -6.532 7.752 1.00 0.00 O ATOM 980 OD2 ASP A 91 13.214 -6.123 6.150 1.00 0.00 O ATOM 0 H ASP A 91 11.456 -4.256 9.797 1.00 0.00 H new ATOM 0 HA ASP A 91 14.269 -5.044 9.624 1.00 0.00 H new ATOM 0 HB2 ASP A 91 12.775 -3.914 7.214 1.00 0.00 H new ATOM 0 HB3 ASP A 91 14.512 -3.758 7.393 1.00 0.00 H new ATOM 985 N VAL A 92 14.787 -2.380 9.507 1.00 0.00 N ATOM 986 CA VAL A 92 15.037 -0.997 10.012 1.00 0.00 C ATOM 987 C VAL A 92 14.065 0.001 9.373 1.00 0.00 C ATOM 988 O VAL A 92 13.393 -0.300 8.407 1.00 0.00 O ATOM 989 CB VAL A 92 16.476 -0.590 9.673 1.00 0.00 C ATOM 990 CG1 VAL A 92 16.915 0.582 10.558 1.00 0.00 C ATOM 991 CG2 VAL A 92 17.410 -1.777 9.910 1.00 0.00 C ATOM 0 H VAL A 92 15.560 -2.791 8.983 1.00 0.00 H new ATOM 0 HA VAL A 92 14.886 -0.986 11.091 1.00 0.00 H new ATOM 0 HB VAL A 92 16.521 -0.286 8.627 1.00 0.00 H new ATOM 0 HG11 VAL A 92 17.938 0.863 10.309 1.00 0.00 H new ATOM 0 HG12 VAL A 92 16.254 1.432 10.390 1.00 0.00 H new ATOM 0 HG13 VAL A 92 16.865 0.285 11.606 1.00 0.00 H new ATOM 0 HG21 VAL A 92 18.433 -1.489 9.669 1.00 0.00 H new ATOM 0 HG22 VAL A 92 17.355 -2.080 10.956 1.00 0.00 H new ATOM 0 HG23 VAL A 92 17.109 -2.610 9.274 1.00 0.00 H new ATOM 1001 N THR A 93 13.993 1.186 9.922 1.00 0.00 N ATOM 1002 CA THR A 93 13.074 2.233 9.384 1.00 0.00 C ATOM 1003 C THR A 93 11.633 1.783 9.589 1.00 0.00 C ATOM 1004 O THR A 93 10.701 2.516 9.318 1.00 0.00 O ATOM 1005 CB THR A 93 13.343 2.471 7.888 1.00 0.00 C ATOM 1006 OG1 THR A 93 12.658 1.496 7.116 1.00 0.00 O ATOM 1007 CG2 THR A 93 14.851 2.391 7.601 1.00 0.00 C ATOM 0 H THR A 93 14.540 1.476 10.732 1.00 0.00 H new ATOM 0 HA THR A 93 13.247 3.169 9.915 1.00 0.00 H new ATOM 0 HB THR A 93 12.983 3.464 7.619 1.00 0.00 H new ATOM 0 HG1 THR A 93 12.951 0.600 7.386 1.00 0.00 H new ATOM 0 HG21 THR A 93 15.029 2.561 6.539 1.00 0.00 H new ATOM 0 HG22 THR A 93 15.373 3.151 8.183 1.00 0.00 H new ATOM 0 HG23 THR A 93 15.222 1.404 7.878 1.00 0.00 H new ATOM 1015 N VAL A 94 11.445 0.582 10.080 1.00 0.00 N ATOM 1016 CA VAL A 94 10.066 0.064 10.327 1.00 0.00 C ATOM 1017 C VAL A 94 9.944 -0.355 11.793 1.00 0.00 C ATOM 1018 O VAL A 94 10.766 -1.086 12.311 1.00 0.00 O ATOM 1019 CB VAL A 94 9.810 -1.139 9.419 1.00 0.00 C ATOM 1020 CG1 VAL A 94 8.509 -1.835 9.836 1.00 0.00 C ATOM 1021 CG2 VAL A 94 9.690 -0.654 7.974 1.00 0.00 C ATOM 0 H VAL A 94 12.195 -0.066 10.322 1.00 0.00 H new ATOM 0 HA VAL A 94 9.332 0.840 10.111 1.00 0.00 H new ATOM 0 HB VAL A 94 10.635 -1.846 9.505 1.00 0.00 H new ATOM 0 HG11 VAL A 94 8.330 -2.692 9.186 1.00 0.00 H new ATOM 0 HG12 VAL A 94 8.592 -2.174 10.869 1.00 0.00 H new ATOM 0 HG13 VAL A 94 7.678 -1.135 9.750 1.00 0.00 H new ATOM 0 HG21 VAL A 94 9.507 -1.505 7.318 1.00 0.00 H new ATOM 0 HG22 VAL A 94 8.862 0.050 7.894 1.00 0.00 H new ATOM 0 HG23 VAL A 94 10.616 -0.160 7.678 1.00 0.00 H new ATOM 1031 N SER A 95 8.921 0.108 12.464 1.00 0.00 N ATOM 1032 CA SER A 95 8.723 -0.244 13.903 1.00 0.00 C ATOM 1033 C SER A 95 7.551 -1.224 14.046 1.00 0.00 C ATOM 1034 O SER A 95 7.388 -2.139 13.265 1.00 0.00 O ATOM 1035 CB SER A 95 8.402 1.031 14.682 1.00 0.00 C ATOM 1036 OG SER A 95 9.428 1.988 14.459 1.00 0.00 O ATOM 0 H SER A 95 8.207 0.722 12.072 1.00 0.00 H new ATOM 0 HA SER A 95 9.630 -0.709 14.291 1.00 0.00 H new ATOM 0 HB2 SER A 95 7.439 1.432 14.365 1.00 0.00 H new ATOM 0 HB3 SER A 95 8.320 0.810 15.746 1.00 0.00 H new ATOM 0 HG SER A 95 9.224 2.808 14.956 1.00 0.00 H new ATOM 1042 N ARG A 96 6.741 -1.032 15.052 1.00 0.00 N ATOM 1043 CA ARG A 96 5.577 -1.936 15.282 1.00 0.00 C ATOM 1044 C ARG A 96 4.589 -1.851 14.117 1.00 0.00 C ATOM 1045 O ARG A 96 4.072 -2.850 13.655 1.00 0.00 O ATOM 1046 CB ARG A 96 4.872 -1.497 16.568 1.00 0.00 C ATOM 1047 CG ARG A 96 5.732 -1.846 17.801 1.00 0.00 C ATOM 1048 CD ARG A 96 5.454 -3.291 18.241 1.00 0.00 C ATOM 1049 NE ARG A 96 6.358 -3.663 19.368 1.00 0.00 N ATOM 1050 CZ ARG A 96 6.012 -3.417 20.603 1.00 0.00 C ATOM 1051 NH1 ARG A 96 4.911 -2.768 20.861 1.00 0.00 N ATOM 1052 NH2 ARG A 96 6.777 -3.818 21.579 1.00 0.00 N ATOM 0 H ARG A 96 6.837 -0.278 15.732 1.00 0.00 H new ATOM 0 HA ARG A 96 5.930 -2.964 15.364 1.00 0.00 H new ATOM 0 HB2 ARG A 96 4.685 -0.423 16.539 1.00 0.00 H new ATOM 0 HB3 ARG A 96 3.901 -1.987 16.643 1.00 0.00 H new ATOM 0 HG2 ARG A 96 6.789 -1.726 17.564 1.00 0.00 H new ATOM 0 HG3 ARG A 96 5.509 -1.159 18.617 1.00 0.00 H new ATOM 0 HD2 ARG A 96 4.414 -3.392 18.550 1.00 0.00 H new ATOM 0 HD3 ARG A 96 5.605 -3.971 17.403 1.00 0.00 H new ATOM 0 HE ARG A 96 7.252 -4.113 19.173 1.00 0.00 H new ATOM 0 HH11 ARG A 96 4.315 -2.450 20.096 1.00 0.00 H new ATOM 0 HH12 ARG A 96 4.645 -2.578 21.827 1.00 0.00 H new ATOM 0 HH21 ARG A 96 7.641 -4.321 21.376 1.00 0.00 H new ATOM 0 HH22 ARG A 96 6.512 -3.629 22.546 1.00 0.00 H new ATOM 1066 N ARG A 97 4.322 -0.674 13.634 1.00 0.00 N ATOM 1067 CA ARG A 97 3.370 -0.537 12.496 1.00 0.00 C ATOM 1068 C ARG A 97 3.655 0.773 11.764 1.00 0.00 C ATOM 1069 O ARG A 97 3.161 1.822 12.125 1.00 0.00 O ATOM 1070 CB ARG A 97 1.917 -0.556 13.010 1.00 0.00 C ATOM 1071 CG ARG A 97 1.822 0.217 14.327 1.00 0.00 C ATOM 1072 CD ARG A 97 0.350 0.440 14.702 1.00 0.00 C ATOM 1073 NE ARG A 97 -0.287 -0.862 15.063 1.00 0.00 N ATOM 1074 CZ ARG A 97 -1.568 -0.922 15.331 1.00 0.00 C ATOM 1075 NH1 ARG A 97 -2.310 0.149 15.254 1.00 0.00 N ATOM 1076 NH2 ARG A 97 -2.110 -2.058 15.678 1.00 0.00 N ATOM 0 H ARG A 97 4.720 0.201 13.976 1.00 0.00 H new ATOM 0 HA ARG A 97 3.500 -1.374 11.810 1.00 0.00 H new ATOM 0 HB2 ARG A 97 1.254 -0.111 12.268 1.00 0.00 H new ATOM 0 HB3 ARG A 97 1.587 -1.584 13.157 1.00 0.00 H new ATOM 0 HG2 ARG A 97 2.328 -0.335 15.119 1.00 0.00 H new ATOM 0 HG3 ARG A 97 2.331 1.176 14.232 1.00 0.00 H new ATOM 0 HD2 ARG A 97 0.281 1.133 15.540 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -0.182 0.896 13.867 1.00 0.00 H new ATOM 0 HE ARG A 97 0.279 -1.710 15.101 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -1.893 1.040 14.984 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -3.307 0.095 15.464 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -1.536 -2.899 15.740 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -3.107 -2.105 15.887 1.00 0.00 H new ATOM 1090 N HIS A 98 4.454 0.716 10.735 1.00 0.00 N ATOM 1091 CA HIS A 98 4.780 1.952 9.974 1.00 0.00 C ATOM 1092 C HIS A 98 3.498 2.538 9.382 1.00 0.00 C ATOM 1093 O HIS A 98 3.317 3.739 9.343 1.00 0.00 O ATOM 1094 CB HIS A 98 5.754 1.618 8.842 1.00 0.00 C ATOM 1095 CG HIS A 98 6.211 2.890 8.180 1.00 0.00 C ATOM 1096 ND1 HIS A 98 5.465 3.523 7.198 1.00 0.00 N ATOM 1097 CD2 HIS A 98 7.337 3.658 8.349 1.00 0.00 C ATOM 1098 CE1 HIS A 98 6.143 4.621 6.818 1.00 0.00 C ATOM 1099 NE2 HIS A 98 7.291 4.751 7.487 1.00 0.00 N ATOM 0 H HIS A 98 4.896 -0.136 10.388 1.00 0.00 H new ATOM 0 HA HIS A 98 5.239 2.678 10.645 1.00 0.00 H new ATOM 0 HB2 HIS A 98 6.612 1.072 9.235 1.00 0.00 H new ATOM 0 HB3 HIS A 98 5.271 0.969 8.112 1.00 0.00 H new ATOM 0 HD2 HIS A 98 8.136 3.447 9.044 1.00 0.00 H new ATOM 0 HE1 HIS A 98 5.800 5.313 6.063 1.00 0.00 H new ATOM 0 HE2 HIS A 98 7.985 5.492 7.388 1.00 0.00 H new ATOM 1107 N ALA A 99 2.608 1.708 8.907 1.00 0.00 N ATOM 1108 CA ALA A 99 1.350 2.240 8.307 1.00 0.00 C ATOM 1109 C ALA A 99 0.218 1.221 8.441 1.00 0.00 C ATOM 1110 O ALA A 99 0.441 0.043 8.660 1.00 0.00 O ATOM 1111 CB ALA A 99 1.584 2.539 6.826 1.00 0.00 C ATOM 0 H ALA A 99 2.696 0.692 8.908 1.00 0.00 H new ATOM 0 HA ALA A 99 1.068 3.151 8.834 1.00 0.00 H new ATOM 0 HB1 ALA A 99 0.667 2.928 6.384 1.00 0.00 H new ATOM 0 HB2 ALA A 99 2.378 3.279 6.725 1.00 0.00 H new ATOM 0 HB3 ALA A 99 1.875 1.623 6.311 1.00 0.00 H new ATOM 1117 N GLU A 100 -1.004 1.675 8.295 1.00 0.00 N ATOM 1118 CA GLU A 100 -2.181 0.760 8.391 1.00 0.00 C ATOM 1119 C GLU A 100 -3.125 1.041 7.223 1.00 0.00 C ATOM 1120 O GLU A 100 -3.264 2.166 6.781 1.00 0.00 O ATOM 1121 CB GLU A 100 -2.922 1.000 9.708 1.00 0.00 C ATOM 1122 CG GLU A 100 -4.095 0.021 9.812 1.00 0.00 C ATOM 1123 CD GLU A 100 -4.784 0.179 11.167 1.00 0.00 C ATOM 1124 OE1 GLU A 100 -4.508 1.156 11.843 1.00 0.00 O ATOM 1125 OE2 GLU A 100 -5.582 -0.683 11.505 1.00 0.00 O ATOM 0 H GLU A 100 -1.236 2.651 8.112 1.00 0.00 H new ATOM 0 HA GLU A 100 -1.840 -0.275 8.356 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -2.244 0.864 10.551 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -3.285 2.027 9.753 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -4.807 0.206 9.008 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -3.738 -1.002 9.692 1.00 0.00 H new ATOM 1132 N PHE A 101 -3.773 0.020 6.719 1.00 0.00 N ATOM 1133 CA PHE A 101 -4.717 0.195 5.574 1.00 0.00 C ATOM 1134 C PHE A 101 -6.138 -0.108 6.040 1.00 0.00 C ATOM 1135 O PHE A 101 -6.360 -1.010 6.823 1.00 0.00 O ATOM 1136 CB PHE A 101 -4.330 -0.779 4.465 1.00 0.00 C ATOM 1137 CG PHE A 101 -2.985 -0.387 3.912 1.00 0.00 C ATOM 1138 CD1 PHE A 101 -2.899 0.602 2.928 1.00 0.00 C ATOM 1139 CD2 PHE A 101 -1.825 -1.008 4.387 1.00 0.00 C ATOM 1140 CE1 PHE A 101 -1.651 0.972 2.415 1.00 0.00 C ATOM 1141 CE2 PHE A 101 -0.576 -0.638 3.875 1.00 0.00 C ATOM 1142 CZ PHE A 101 -0.489 0.352 2.889 1.00 0.00 C ATOM 0 H PHE A 101 -3.686 -0.938 7.057 1.00 0.00 H new ATOM 0 HA PHE A 101 -4.668 1.219 5.204 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -4.295 -1.797 4.854 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -5.080 -0.766 3.674 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -3.796 1.081 2.564 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -1.893 -1.772 5.148 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -1.584 1.735 1.654 1.00 0.00 H new ATOM 0 HE2 PHE A 101 0.321 -1.116 4.241 1.00 0.00 H new ATOM 0 HZ PHE A 101 0.475 0.637 2.494 1.00 0.00 H new ATOM 1152 N ARG A 102 -7.104 0.639 5.562 1.00 0.00 N ATOM 1153 CA ARG A 102 -8.523 0.402 5.972 1.00 0.00 C ATOM 1154 C ARG A 102 -9.402 0.261 4.735 1.00 0.00 C ATOM 1155 O ARG A 102 -9.298 1.015 3.787 1.00 0.00 O ATOM 1156 CB ARG A 102 -9.010 1.583 6.809 1.00 0.00 C ATOM 1157 CG ARG A 102 -8.300 1.560 8.160 1.00 0.00 C ATOM 1158 CD ARG A 102 -8.733 2.765 8.996 1.00 0.00 C ATOM 1159 NE ARG A 102 -8.039 2.716 10.313 1.00 0.00 N ATOM 1160 CZ ARG A 102 -8.195 3.680 11.180 1.00 0.00 C ATOM 1161 NH1 ARG A 102 -8.955 4.702 10.901 1.00 0.00 N ATOM 1162 NH2 ARG A 102 -7.584 3.616 12.331 1.00 0.00 N ATOM 0 H ARG A 102 -6.969 1.406 4.903 1.00 0.00 H new ATOM 0 HA ARG A 102 -8.581 -0.514 6.559 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -8.806 2.521 6.292 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -10.089 1.525 6.950 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -8.535 0.636 8.689 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -7.220 1.577 8.013 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -8.489 3.691 8.476 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -9.814 2.755 9.139 1.00 0.00 H new ATOM 0 HE ARG A 102 -7.438 1.924 10.539 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -9.432 4.752 10.001 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -9.072 5.451 11.583 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -6.989 2.817 12.549 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -7.701 4.365 13.013 1.00 0.00 H new ATOM 1176 N LEU A 103 -10.274 -0.708 4.748 1.00 0.00 N ATOM 1177 CA LEU A 103 -11.188 -0.933 3.592 1.00 0.00 C ATOM 1178 C LEU A 103 -12.547 -0.295 3.901 1.00 0.00 C ATOM 1179 O LEU A 103 -13.124 -0.523 4.944 1.00 0.00 O ATOM 1180 CB LEU A 103 -11.350 -2.442 3.386 1.00 0.00 C ATOM 1181 CG LEU A 103 -12.377 -2.727 2.282 1.00 0.00 C ATOM 1182 CD1 LEU A 103 -11.957 -2.035 0.977 1.00 0.00 C ATOM 1183 CD2 LEU A 103 -12.458 -4.241 2.056 1.00 0.00 C ATOM 0 H LEU A 103 -10.394 -1.363 5.521 1.00 0.00 H new ATOM 0 HA LEU A 103 -10.780 -0.484 2.686 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -10.390 -2.884 3.120 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -11.669 -2.910 4.317 1.00 0.00 H new ATOM 0 HG LEU A 103 -13.351 -2.343 2.586 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -12.693 -2.244 0.201 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -11.897 -0.959 1.139 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -10.983 -2.410 0.664 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -13.186 -4.454 1.273 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -11.480 -4.617 1.755 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -12.766 -4.731 2.980 1.00 0.00 H new ATOM 1195 N GLU A 104 -13.056 0.520 3.008 1.00 0.00 N ATOM 1196 CA GLU A 104 -14.371 1.195 3.255 1.00 0.00 C ATOM 1197 C GLU A 104 -15.519 0.432 2.568 1.00 0.00 C ATOM 1198 O GLU A 104 -15.711 -0.750 2.779 1.00 0.00 O ATOM 1199 CB GLU A 104 -14.301 2.626 2.711 1.00 0.00 C ATOM 1200 CG GLU A 104 -13.780 2.606 1.271 1.00 0.00 C ATOM 1201 CD GLU A 104 -13.874 4.013 0.679 1.00 0.00 C ATOM 1202 OE1 GLU A 104 -13.544 4.953 1.383 1.00 0.00 O ATOM 1203 OE2 GLU A 104 -14.271 4.126 -0.469 1.00 0.00 O ATOM 0 H GLU A 104 -12.616 0.748 2.116 1.00 0.00 H new ATOM 0 HA GLU A 104 -14.568 1.208 4.327 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -15.288 3.087 2.744 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -13.645 3.232 3.337 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -12.747 2.259 1.251 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -14.363 1.907 0.671 1.00 0.00 H new ATOM 1210 N ASN A 105 -16.303 1.113 1.770 1.00 0.00 N ATOM 1211 CA ASN A 105 -17.454 0.456 1.088 1.00 0.00 C ATOM 1212 C ASN A 105 -16.959 -0.613 0.108 1.00 0.00 C ATOM 1213 O ASN A 105 -17.436 -1.729 0.117 1.00 0.00 O ATOM 1214 CB ASN A 105 -18.234 1.525 0.315 1.00 0.00 C ATOM 1215 CG ASN A 105 -18.932 2.479 1.293 1.00 0.00 C ATOM 1216 OD1 ASN A 105 -19.032 2.157 2.556 1.00 0.00 O flip ATOM 1217 ND2 ASN A 105 -19.384 3.537 0.904 1.00 0.00 N flip ATOM 0 H ASN A 105 -16.192 2.105 1.562 1.00 0.00 H new ATOM 0 HA ASN A 105 -18.090 -0.022 1.833 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -17.557 2.085 -0.330 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -18.972 1.051 -0.332 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -19.308 3.793 -0.081 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -19.839 4.170 1.562 1.00 0.00 H new ATOM 1224 N ASN A 106 -16.007 -0.286 -0.730 1.00 0.00 N ATOM 1225 CA ASN A 106 -15.489 -1.293 -1.709 1.00 0.00 C ATOM 1226 C ASN A 106 -14.209 -0.759 -2.372 1.00 0.00 C ATOM 1227 O ASN A 106 -13.827 -1.203 -3.439 1.00 0.00 O ATOM 1228 CB ASN A 106 -16.557 -1.567 -2.790 1.00 0.00 C ATOM 1229 CG ASN A 106 -17.565 -2.604 -2.286 1.00 0.00 C ATOM 1230 OD1 ASN A 106 -17.130 -3.665 -1.664 1.00 0.00 O flip ATOM 1231 ND2 ASN A 106 -18.758 -2.447 -2.456 1.00 0.00 N flip ATOM 0 H ASN A 106 -15.566 0.633 -0.779 1.00 0.00 H new ATOM 0 HA ASN A 106 -15.263 -2.221 -1.183 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -17.073 -0.641 -3.045 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -16.079 -1.927 -3.701 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -19.099 -1.618 -2.942 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -19.418 -3.144 -2.112 1.00 0.00 H new ATOM 1238 N GLU A 107 -13.540 0.183 -1.744 1.00 0.00 N ATOM 1239 CA GLU A 107 -12.274 0.752 -2.322 1.00 0.00 C ATOM 1240 C GLU A 107 -11.105 0.427 -1.384 1.00 0.00 C ATOM 1241 O GLU A 107 -10.893 -0.710 -1.018 1.00 0.00 O ATOM 1242 CB GLU A 107 -12.405 2.276 -2.454 1.00 0.00 C ATOM 1243 CG GLU A 107 -13.441 2.620 -3.524 1.00 0.00 C ATOM 1244 CD GLU A 107 -13.620 4.139 -3.593 1.00 0.00 C ATOM 1245 OE1 GLU A 107 -12.922 4.832 -2.869 1.00 0.00 O ATOM 1246 OE2 GLU A 107 -14.451 4.583 -4.369 1.00 0.00 O ATOM 0 H GLU A 107 -13.818 0.585 -0.849 1.00 0.00 H new ATOM 0 HA GLU A 107 -12.096 0.317 -3.305 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -12.700 2.708 -1.498 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -11.441 2.711 -2.716 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -13.120 2.237 -4.493 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -14.392 2.141 -3.291 1.00 0.00 H new ATOM 1253 N PHE A 108 -10.349 1.417 -0.982 1.00 0.00 N ATOM 1254 CA PHE A 108 -9.208 1.168 -0.055 1.00 0.00 C ATOM 1255 C PHE A 108 -8.760 2.498 0.548 1.00 0.00 C ATOM 1256 O PHE A 108 -8.953 3.547 -0.033 1.00 0.00 O ATOM 1257 CB PHE A 108 -8.034 0.518 -0.816 1.00 0.00 C ATOM 1258 CG PHE A 108 -8.201 -0.985 -0.836 1.00 0.00 C ATOM 1259 CD1 PHE A 108 -8.168 -1.696 0.370 1.00 0.00 C ATOM 1260 CD2 PHE A 108 -8.393 -1.664 -2.044 1.00 0.00 C ATOM 1261 CE1 PHE A 108 -8.325 -3.082 0.368 1.00 0.00 C ATOM 1262 CE2 PHE A 108 -8.552 -3.054 -2.045 1.00 0.00 C ATOM 1263 CZ PHE A 108 -8.517 -3.763 -0.838 1.00 0.00 C ATOM 0 H PHE A 108 -10.475 2.391 -1.258 1.00 0.00 H new ATOM 0 HA PHE A 108 -9.526 0.490 0.737 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -7.994 0.901 -1.836 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -7.090 0.781 -0.339 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -8.021 -1.171 1.302 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -8.418 -1.116 -2.974 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -8.298 -3.629 1.299 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -8.702 -3.580 -2.976 1.00 0.00 H new ATOM 0 HZ PHE A 108 -8.638 -4.836 -0.839 1.00 0.00 H new ATOM 1273 N ASN A 109 -8.146 2.466 1.703 1.00 0.00 N ATOM 1274 CA ASN A 109 -7.672 3.731 2.335 1.00 0.00 C ATOM 1275 C ASN A 109 -6.345 3.471 3.041 1.00 0.00 C ATOM 1276 O ASN A 109 -6.101 2.387 3.532 1.00 0.00 O ATOM 1277 CB ASN A 109 -8.688 4.202 3.375 1.00 0.00 C ATOM 1278 CG ASN A 109 -10.074 4.303 2.742 1.00 0.00 C ATOM 1279 OD1 ASN A 109 -10.208 4.673 1.595 1.00 0.00 O ATOM 1280 ND2 ASN A 109 -11.121 3.987 3.451 1.00 0.00 N ATOM 0 H ASN A 109 -7.953 1.617 2.235 1.00 0.00 H new ATOM 0 HA ASN A 109 -7.551 4.492 1.564 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -8.712 3.506 4.213 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -8.390 5.172 3.774 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -12.053 4.051 3.041 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -11.009 3.676 4.416 1.00 0.00 H new ATOM 1287 N VAL A 110 -5.493 4.466 3.115 1.00 0.00 N ATOM 1288 CA VAL A 110 -4.179 4.294 3.812 1.00 0.00 C ATOM 1289 C VAL A 110 -4.054 5.363 4.898 1.00 0.00 C ATOM 1290 O VAL A 110 -4.272 6.536 4.657 1.00 0.00 O ATOM 1291 CB VAL A 110 -3.034 4.432 2.799 1.00 0.00 C ATOM 1292 CG1 VAL A 110 -3.258 5.665 1.921 1.00 0.00 C ATOM 1293 CG2 VAL A 110 -1.699 4.571 3.542 1.00 0.00 C ATOM 0 H VAL A 110 -5.652 5.393 2.721 1.00 0.00 H new ATOM 0 HA VAL A 110 -4.124 3.305 4.266 1.00 0.00 H new ATOM 0 HB VAL A 110 -3.010 3.542 2.170 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -2.441 5.755 1.205 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -4.201 5.563 1.384 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -3.292 6.556 2.547 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -0.889 4.669 2.819 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -1.727 5.456 4.178 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -1.531 3.687 4.158 1.00 0.00 H new ATOM 1303 N VAL A 111 -3.705 4.958 6.095 1.00 0.00 N ATOM 1304 CA VAL A 111 -3.556 5.927 7.220 1.00 0.00 C ATOM 1305 C VAL A 111 -2.193 5.730 7.885 1.00 0.00 C ATOM 1306 O VAL A 111 -1.801 4.626 8.209 1.00 0.00 O ATOM 1307 CB VAL A 111 -4.671 5.678 8.240 1.00 0.00 C ATOM 1308 CG1 VAL A 111 -4.394 6.474 9.522 1.00 0.00 C ATOM 1309 CG2 VAL A 111 -6.012 6.119 7.644 1.00 0.00 C ATOM 0 H VAL A 111 -3.516 3.986 6.341 1.00 0.00 H new ATOM 0 HA VAL A 111 -3.625 6.948 6.844 1.00 0.00 H new ATOM 0 HB VAL A 111 -4.708 4.615 8.480 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -5.191 6.292 10.243 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -3.441 6.159 9.947 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -4.352 7.538 9.288 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -6.807 5.943 8.368 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -5.971 7.181 7.401 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -6.213 5.547 6.738 1.00 0.00 H new ATOM 1319 N ASP A 112 -1.473 6.800 8.096 1.00 0.00 N ATOM 1320 CA ASP A 112 -0.134 6.699 8.746 1.00 0.00 C ATOM 1321 C ASP A 112 -0.258 7.077 10.226 1.00 0.00 C ATOM 1322 O ASP A 112 -0.637 8.180 10.568 1.00 0.00 O ATOM 1323 CB ASP A 112 0.832 7.647 8.042 1.00 0.00 C ATOM 1324 CG ASP A 112 2.222 7.509 8.660 1.00 0.00 C ATOM 1325 OD1 ASP A 112 2.335 6.839 9.674 1.00 0.00 O ATOM 1326 OD2 ASP A 112 3.150 8.080 8.114 1.00 0.00 O ATOM 0 H ASP A 112 -1.758 7.746 7.844 1.00 0.00 H new ATOM 0 HA ASP A 112 0.242 5.679 8.671 1.00 0.00 H new ATOM 0 HB2 ASP A 112 0.871 7.418 6.977 1.00 0.00 H new ATOM 0 HB3 ASP A 112 0.482 8.675 8.134 1.00 0.00 H new ATOM 1331 N VAL A 113 0.043 6.159 11.105 1.00 0.00 N ATOM 1332 CA VAL A 113 -0.072 6.444 12.566 1.00 0.00 C ATOM 1333 C VAL A 113 1.094 7.323 13.027 1.00 0.00 C ATOM 1334 O VAL A 113 1.716 8.015 12.245 1.00 0.00 O ATOM 1335 CB VAL A 113 -0.036 5.123 13.342 1.00 0.00 C ATOM 1336 CG1 VAL A 113 -1.170 4.216 12.865 1.00 0.00 C ATOM 1337 CG2 VAL A 113 1.306 4.421 13.106 1.00 0.00 C ATOM 0 H VAL A 113 0.365 5.219 10.873 1.00 0.00 H new ATOM 0 HA VAL A 113 -1.011 6.966 12.752 1.00 0.00 H new ATOM 0 HB VAL A 113 -0.156 5.330 14.405 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -1.142 3.277 13.418 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -2.127 4.710 13.035 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -1.051 4.013 11.801 1.00 0.00 H new ATOM 0 HG21 VAL A 113 1.328 3.482 13.659 1.00 0.00 H new ATOM 0 HG22 VAL A 113 1.428 4.218 12.042 1.00 0.00 H new ATOM 0 HG23 VAL A 113 2.118 5.063 13.449 1.00 0.00 H new ATOM 1405 N THR A 119 4.193 8.370 5.500 1.00 0.00 N ATOM 1406 CA THR A 119 3.760 7.673 4.259 1.00 0.00 C ATOM 1407 C THR A 119 3.352 8.699 3.203 1.00 0.00 C ATOM 1408 O THR A 119 2.702 9.682 3.498 1.00 0.00 O ATOM 1409 CB THR A 119 2.572 6.765 4.575 1.00 0.00 C ATOM 1410 OG1 THR A 119 2.889 5.959 5.701 1.00 0.00 O ATOM 1411 CG2 THR A 119 2.271 5.867 3.370 1.00 0.00 C ATOM 0 HA THR A 119 4.586 7.074 3.875 1.00 0.00 H new ATOM 0 HB THR A 119 1.695 7.375 4.793 1.00 0.00 H new ATOM 0 HG1 THR A 119 3.603 6.386 6.218 1.00 0.00 H new ATOM 0 HG21 THR A 119 1.423 5.221 3.600 1.00 0.00 H new ATOM 0 HG22 THR A 119 2.031 6.486 2.506 1.00 0.00 H new ATOM 0 HG23 THR A 119 3.144 5.254 3.146 1.00 0.00 H new ATOM 1419 N TYR A 120 3.727 8.469 1.970 1.00 0.00 N ATOM 1420 CA TYR A 120 3.370 9.414 0.869 1.00 0.00 C ATOM 1421 C TYR A 120 2.629 8.654 -0.222 1.00 0.00 C ATOM 1422 O TYR A 120 2.947 7.521 -0.524 1.00 0.00 O ATOM 1423 CB TYR A 120 4.653 10.009 0.293 1.00 0.00 C ATOM 1424 CG TYR A 120 5.565 10.431 1.426 1.00 0.00 C ATOM 1425 CD1 TYR A 120 5.082 11.266 2.447 1.00 0.00 C ATOM 1426 CD2 TYR A 120 6.892 9.984 1.462 1.00 0.00 C ATOM 1427 CE1 TYR A 120 5.925 11.651 3.493 1.00 0.00 C ATOM 1428 CE2 TYR A 120 7.733 10.371 2.511 1.00 0.00 C ATOM 1429 CZ TYR A 120 7.249 11.204 3.527 1.00 0.00 C ATOM 1430 OH TYR A 120 8.077 11.587 4.560 1.00 0.00 O ATOM 0 H TYR A 120 4.271 7.658 1.677 1.00 0.00 H new ATOM 0 HA TYR A 120 2.734 10.211 1.253 1.00 0.00 H new ATOM 0 HB2 TYR A 120 5.155 9.276 -0.339 1.00 0.00 H new ATOM 0 HB3 TYR A 120 4.418 10.866 -0.338 1.00 0.00 H new ATOM 0 HD1 TYR A 120 4.059 11.611 2.424 1.00 0.00 H new ATOM 0 HD2 TYR A 120 7.266 9.340 0.680 1.00 0.00 H new ATOM 0 HE1 TYR A 120 5.553 12.295 4.276 1.00 0.00 H new ATOM 0 HE2 TYR A 120 8.756 10.027 2.537 1.00 0.00 H new ATOM 0 HH TYR A 120 8.963 11.189 4.434 1.00 0.00 H new ATOM 1440 N VAL A 121 1.639 9.275 -0.815 1.00 0.00 N ATOM 1441 CA VAL A 121 0.856 8.608 -1.895 1.00 0.00 C ATOM 1442 C VAL A 121 0.886 9.471 -3.160 1.00 0.00 C ATOM 1443 O VAL A 121 0.649 10.662 -3.124 1.00 0.00 O ATOM 1444 CB VAL A 121 -0.595 8.408 -1.426 1.00 0.00 C ATOM 1445 CG1 VAL A 121 -1.363 9.740 -1.458 1.00 0.00 C ATOM 1446 CG2 VAL A 121 -1.285 7.390 -2.342 1.00 0.00 C ATOM 0 H VAL A 121 1.339 10.224 -0.593 1.00 0.00 H new ATOM 0 HA VAL A 121 1.296 7.636 -2.119 1.00 0.00 H new ATOM 0 HB VAL A 121 -0.588 8.039 -0.400 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -2.387 9.578 -1.123 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -0.875 10.457 -0.798 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -1.372 10.130 -2.476 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -2.314 7.244 -2.014 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -1.280 7.761 -3.367 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -0.752 6.440 -2.297 1.00 0.00 H new ATOM 1456 N ASN A 122 1.170 8.864 -4.276 1.00 0.00 N ATOM 1457 CA ASN A 122 1.214 9.614 -5.567 1.00 0.00 C ATOM 1458 C ASN A 122 2.128 10.837 -5.457 1.00 0.00 C ATOM 1459 O ASN A 122 2.845 11.017 -4.491 1.00 0.00 O ATOM 1460 CB ASN A 122 -0.197 10.073 -5.942 1.00 0.00 C ATOM 1461 CG ASN A 122 -1.037 8.858 -6.326 1.00 0.00 C ATOM 1462 OD1 ASN A 122 -0.503 7.835 -6.709 1.00 0.00 O ATOM 1463 ND2 ASN A 122 -2.337 8.921 -6.232 1.00 0.00 N ATOM 0 H ASN A 122 1.377 7.868 -4.353 1.00 0.00 H new ATOM 0 HA ASN A 122 1.608 8.950 -6.336 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -0.656 10.597 -5.104 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -0.154 10.777 -6.773 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -2.906 8.112 -6.480 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -2.784 9.780 -5.911 1.00 0.00 H new ATOM 1470 N ARG A 123 2.113 11.676 -6.460 1.00 0.00 N ATOM 1471 CA ARG A 123 2.979 12.887 -6.446 1.00 0.00 C ATOM 1472 C ARG A 123 2.428 13.878 -5.417 1.00 0.00 C ATOM 1473 O ARG A 123 2.892 14.993 -5.302 1.00 0.00 O ATOM 1474 CB ARG A 123 2.982 13.518 -7.843 1.00 0.00 C ATOM 1475 CG ARG A 123 4.132 14.527 -7.965 1.00 0.00 C ATOM 1476 CD ARG A 123 4.218 15.046 -9.402 1.00 0.00 C ATOM 1477 NE ARG A 123 5.310 16.059 -9.485 1.00 0.00 N ATOM 1478 CZ ARG A 123 5.660 16.563 -10.638 1.00 0.00 C ATOM 1479 NH1 ARG A 123 5.056 16.185 -11.730 1.00 0.00 N ATOM 1480 NH2 ARG A 123 6.617 17.448 -10.696 1.00 0.00 N ATOM 0 H ARG A 123 1.533 11.571 -7.293 1.00 0.00 H new ATOM 0 HA ARG A 123 4.001 12.620 -6.176 1.00 0.00 H new ATOM 0 HB2 ARG A 123 3.088 12.742 -8.601 1.00 0.00 H new ATOM 0 HB3 ARG A 123 2.030 14.016 -8.027 1.00 0.00 H new ATOM 0 HG2 ARG A 123 3.973 15.358 -7.278 1.00 0.00 H new ATOM 0 HG3 ARG A 123 5.073 14.055 -7.682 1.00 0.00 H new ATOM 0 HD2 ARG A 123 4.414 14.223 -10.089 1.00 0.00 H new ATOM 0 HD3 ARG A 123 3.268 15.490 -9.700 1.00 0.00 H new ATOM 0 HE ARG A 123 5.787 16.360 -8.635 1.00 0.00 H new ATOM 0 HH11 ARG A 123 4.307 15.494 -11.686 1.00 0.00 H new ATOM 0 HH12 ARG A 123 5.332 16.581 -12.629 1.00 0.00 H new ATOM 0 HH21 ARG A 123 7.090 17.745 -9.842 1.00 0.00 H new ATOM 0 HH22 ARG A 123 6.892 17.843 -11.595 1.00 0.00 H new ATOM 1494 N GLU A 124 1.436 13.469 -4.660 1.00 0.00 N ATOM 1495 CA GLU A 124 0.841 14.367 -3.620 1.00 0.00 C ATOM 1496 C GLU A 124 0.993 13.699 -2.248 1.00 0.00 C ATOM 1497 O GLU A 124 0.091 13.037 -1.775 1.00 0.00 O ATOM 1498 CB GLU A 124 -0.648 14.585 -3.928 1.00 0.00 C ATOM 1499 CG GLU A 124 -1.267 13.289 -4.448 1.00 0.00 C ATOM 1500 CD GLU A 124 -2.778 13.478 -4.596 1.00 0.00 C ATOM 1501 OE1 GLU A 124 -3.181 14.180 -5.509 1.00 0.00 O ATOM 1502 OE2 GLU A 124 -3.506 12.918 -3.793 1.00 0.00 O ATOM 0 H GLU A 124 1.011 12.544 -4.720 1.00 0.00 H new ATOM 0 HA GLU A 124 1.351 15.330 -3.620 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -1.170 14.912 -3.029 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -0.763 15.376 -4.669 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -0.826 13.021 -5.408 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -1.056 12.470 -3.761 1.00 0.00 H new ATOM 1509 N PRO A 125 2.128 13.869 -1.609 1.00 0.00 N ATOM 1510 CA PRO A 125 2.390 13.263 -0.267 1.00 0.00 C ATOM 1511 C PRO A 125 1.363 13.715 0.778 1.00 0.00 C ATOM 1512 O PRO A 125 1.049 14.883 0.886 1.00 0.00 O ATOM 1513 CB PRO A 125 3.800 13.776 0.099 1.00 0.00 C ATOM 1514 CG PRO A 125 4.428 14.137 -1.207 1.00 0.00 C ATOM 1515 CD PRO A 125 3.288 14.636 -2.088 1.00 0.00 C ATOM 0 HA PRO A 125 2.318 12.176 -0.289 1.00 0.00 H new ATOM 0 HB2 PRO A 125 3.747 14.638 0.764 1.00 0.00 H new ATOM 0 HB3 PRO A 125 4.377 13.010 0.617 1.00 0.00 H new ATOM 0 HG2 PRO A 125 5.188 14.907 -1.076 1.00 0.00 H new ATOM 0 HG3 PRO A 125 4.921 13.275 -1.656 1.00 0.00 H new ATOM 0 HD2 PRO A 125 3.134 15.709 -1.977 1.00 0.00 H new ATOM 0 HD3 PRO A 125 3.485 14.450 -3.144 1.00 0.00 H new ATOM 1523 N VAL A 126 0.846 12.802 1.556 1.00 0.00 N ATOM 1524 CA VAL A 126 -0.150 13.191 2.598 1.00 0.00 C ATOM 1525 C VAL A 126 -0.072 12.221 3.777 1.00 0.00 C ATOM 1526 O VAL A 126 0.350 11.090 3.642 1.00 0.00 O ATOM 1527 CB VAL A 126 -1.564 13.147 2.007 1.00 0.00 C ATOM 1528 CG1 VAL A 126 -1.679 14.183 0.887 1.00 0.00 C ATOM 1529 CG2 VAL A 126 -1.857 11.741 1.458 1.00 0.00 C ATOM 0 H VAL A 126 1.069 11.807 1.516 1.00 0.00 H new ATOM 0 HA VAL A 126 0.073 14.202 2.940 1.00 0.00 H new ATOM 0 HB VAL A 126 -2.291 13.378 2.786 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -2.684 14.153 0.466 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -1.484 15.177 1.289 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -0.952 13.958 0.107 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -2.863 11.716 1.039 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -1.134 11.496 0.680 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -1.782 11.012 2.265 1.00 0.00 H new ATOM 1539 N ASP A 127 -0.493 12.657 4.930 1.00 0.00 N ATOM 1540 CA ASP A 127 -0.474 11.773 6.127 1.00 0.00 C ATOM 1541 C ASP A 127 -1.436 10.603 5.896 1.00 0.00 C ATOM 1542 O ASP A 127 -1.143 9.467 6.216 1.00 0.00 O ATOM 1543 CB ASP A 127 -0.940 12.580 7.338 1.00 0.00 C ATOM 1544 CG ASP A 127 0.146 13.580 7.737 1.00 0.00 C ATOM 1545 OD1 ASP A 127 1.233 13.497 7.189 1.00 0.00 O ATOM 1546 OD2 ASP A 127 -0.131 14.416 8.581 1.00 0.00 O ATOM 0 H ASP A 127 -0.853 13.597 5.096 1.00 0.00 H new ATOM 0 HA ASP A 127 0.532 11.391 6.300 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -1.865 13.107 7.103 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -1.157 11.912 8.171 1.00 0.00 H new ATOM 1551 N SER A 128 -2.584 10.878 5.340 1.00 0.00 N ATOM 1552 CA SER A 128 -3.567 9.790 5.083 1.00 0.00 C ATOM 1553 C SER A 128 -4.537 10.226 3.985 1.00 0.00 C ATOM 1554 O SER A 128 -4.926 11.376 3.910 1.00 0.00 O ATOM 1555 CB SER A 128 -4.349 9.496 6.363 1.00 0.00 C ATOM 1556 OG SER A 128 -5.104 10.642 6.726 1.00 0.00 O ATOM 0 H SER A 128 -2.883 11.810 5.053 1.00 0.00 H new ATOM 0 HA SER A 128 -3.037 8.892 4.765 1.00 0.00 H new ATOM 0 HB2 SER A 128 -5.011 8.644 6.210 1.00 0.00 H new ATOM 0 HB3 SER A 128 -3.664 9.228 7.168 1.00 0.00 H new ATOM 0 HG SER A 128 -5.608 10.456 7.546 1.00 0.00 H new ATOM 1562 N ALA A 129 -4.944 9.315 3.140 1.00 0.00 N ATOM 1563 CA ALA A 129 -5.901 9.680 2.053 1.00 0.00 C ATOM 1564 C ALA A 129 -6.358 8.423 1.313 1.00 0.00 C ATOM 1565 O ALA A 129 -5.799 7.352 1.466 1.00 0.00 O ATOM 1566 CB ALA A 129 -5.230 10.629 1.055 1.00 0.00 C ATOM 0 H ALA A 129 -4.656 8.337 3.155 1.00 0.00 H new ATOM 0 HA ALA A 129 -6.762 10.174 2.503 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -5.937 10.888 0.267 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -4.914 11.535 1.571 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -4.361 10.140 0.616 1.00 0.00 H new ATOM 1572 N VAL A 130 -7.379 8.556 0.509 1.00 0.00 N ATOM 1573 CA VAL A 130 -7.901 7.393 -0.261 1.00 0.00 C ATOM 1574 C VAL A 130 -7.006 7.121 -1.462 1.00 0.00 C ATOM 1575 O VAL A 130 -6.458 8.018 -2.073 1.00 0.00 O ATOM 1576 CB VAL A 130 -9.321 7.688 -0.737 1.00 0.00 C ATOM 1577 CG1 VAL A 130 -9.804 6.564 -1.660 1.00 0.00 C ATOM 1578 CG2 VAL A 130 -10.252 7.790 0.471 1.00 0.00 C ATOM 0 H VAL A 130 -7.878 9.432 0.352 1.00 0.00 H new ATOM 0 HA VAL A 130 -7.910 6.514 0.384 1.00 0.00 H new ATOM 0 HB VAL A 130 -9.328 8.630 -1.285 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -10.818 6.780 -1.997 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -9.143 6.493 -2.523 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -9.795 5.619 -1.117 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -11.266 8.001 0.132 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -10.241 6.848 1.019 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -9.914 8.594 1.124 1.00 0.00 H new ATOM 1588 N LEU A 131 -6.848 5.871 -1.783 1.00 0.00 N ATOM 1589 CA LEU A 131 -5.982 5.465 -2.924 1.00 0.00 C ATOM 1590 C LEU A 131 -6.662 4.378 -3.748 1.00 0.00 C ATOM 1591 O LEU A 131 -7.542 3.682 -3.280 1.00 0.00 O ATOM 1592 CB LEU A 131 -4.628 4.969 -2.391 1.00 0.00 C ATOM 1593 CG LEU A 131 -4.748 3.642 -1.591 1.00 0.00 C ATOM 1594 CD1 LEU A 131 -5.877 3.707 -0.555 1.00 0.00 C ATOM 1595 CD2 LEU A 131 -4.962 2.425 -2.528 1.00 0.00 C ATOM 0 H LEU A 131 -7.292 5.095 -1.292 1.00 0.00 H new ATOM 0 HA LEU A 131 -5.816 6.327 -3.570 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -3.944 4.824 -3.227 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -4.191 5.736 -1.751 1.00 0.00 H new ATOM 0 HG LEU A 131 -3.803 3.510 -1.065 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -5.930 2.761 -0.015 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -5.679 4.516 0.149 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -6.825 3.890 -1.061 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -5.041 1.516 -1.932 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -5.879 2.564 -3.101 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -4.117 2.338 -3.211 1.00 0.00 H new ATOM 1607 N ALA A 132 -6.261 4.234 -4.982 1.00 0.00 N ATOM 1608 CA ALA A 132 -6.863 3.197 -5.859 1.00 0.00 C ATOM 1609 C ALA A 132 -5.820 2.731 -6.876 1.00 0.00 C ATOM 1610 O ALA A 132 -4.655 3.066 -6.793 1.00 0.00 O ATOM 1611 CB ALA A 132 -8.068 3.781 -6.596 1.00 0.00 C ATOM 0 H ALA A 132 -5.534 4.798 -5.422 1.00 0.00 H new ATOM 0 HA ALA A 132 -7.189 2.352 -5.252 1.00 0.00 H new ATOM 0 HB1 ALA A 132 -8.507 3.017 -7.238 1.00 0.00 H new ATOM 0 HB2 ALA A 132 -8.810 4.116 -5.871 1.00 0.00 H new ATOM 0 HB3 ALA A 132 -7.747 4.627 -7.205 1.00 0.00 H new ATOM 1617 N ASN A 133 -6.234 1.937 -7.824 1.00 0.00 N ATOM 1618 CA ASN A 133 -5.285 1.404 -8.847 1.00 0.00 C ATOM 1619 C ASN A 133 -4.454 2.525 -9.482 1.00 0.00 C ATOM 1620 O ASN A 133 -4.938 3.607 -9.754 1.00 0.00 O ATOM 1621 CB ASN A 133 -6.081 0.682 -9.932 1.00 0.00 C ATOM 1622 CG ASN A 133 -6.923 1.688 -10.718 1.00 0.00 C ATOM 1623 OD1 ASN A 133 -7.123 2.806 -10.283 1.00 0.00 O ATOM 1624 ND2 ASN A 133 -7.428 1.334 -11.868 1.00 0.00 N ATOM 0 H ASN A 133 -7.200 1.630 -7.936 1.00 0.00 H new ATOM 0 HA ASN A 133 -4.598 0.716 -8.355 1.00 0.00 H new ATOM 0 HB2 ASN A 133 -5.402 0.158 -10.605 1.00 0.00 H new ATOM 0 HB3 ASN A 133 -6.727 -0.071 -9.481 1.00 0.00 H new ATOM 0 HD21 ASN A 133 -7.991 1.995 -12.403 1.00 0.00 H new ATOM 0 HD22 ASN A 133 -7.260 0.396 -12.232 1.00 0.00 H new ATOM 1631 N GLY A 134 -3.197 2.253 -9.735 1.00 0.00 N ATOM 1632 CA GLY A 134 -2.310 3.273 -10.368 1.00 0.00 C ATOM 1633 C GLY A 134 -1.753 4.201 -9.294 1.00 0.00 C ATOM 1634 O GLY A 134 -1.332 5.304 -9.579 1.00 0.00 O ATOM 0 H GLY A 134 -2.746 1.362 -9.528 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -1.494 2.782 -10.898 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -2.869 3.848 -11.106 1.00 0.00 H new ATOM 1638 N ASP A 135 -1.741 3.762 -8.057 1.00 0.00 N ATOM 1639 CA ASP A 135 -1.202 4.619 -6.950 1.00 0.00 C ATOM 1640 C ASP A 135 0.108 4.029 -6.451 1.00 0.00 C ATOM 1641 O ASP A 135 0.332 2.838 -6.531 1.00 0.00 O ATOM 1642 CB ASP A 135 -2.212 4.688 -5.804 1.00 0.00 C ATOM 1643 CG ASP A 135 -3.329 5.671 -6.163 1.00 0.00 C ATOM 1644 OD1 ASP A 135 -3.219 6.315 -7.194 1.00 0.00 O ATOM 1645 OD2 ASP A 135 -4.267 5.777 -5.395 1.00 0.00 O ATOM 0 H ASP A 135 -2.082 2.846 -7.765 1.00 0.00 H new ATOM 0 HA ASP A 135 -1.027 5.628 -7.325 1.00 0.00 H new ATOM 0 HB2 ASP A 135 -2.631 3.700 -5.615 1.00 0.00 H new ATOM 0 HB3 ASP A 135 -1.716 5.005 -4.887 1.00 0.00 H new ATOM 1650 N GLU A 136 0.979 4.861 -5.937 1.00 0.00 N ATOM 1651 CA GLU A 136 2.291 4.367 -5.424 1.00 0.00 C ATOM 1652 C GLU A 136 2.347 4.556 -3.911 1.00 0.00 C ATOM 1653 O GLU A 136 1.935 5.572 -3.386 1.00 0.00 O ATOM 1654 CB GLU A 136 3.425 5.164 -6.081 1.00 0.00 C ATOM 1655 CG GLU A 136 4.762 4.444 -5.870 1.00 0.00 C ATOM 1656 CD GLU A 136 5.164 4.536 -4.397 1.00 0.00 C ATOM 1657 OE1 GLU A 136 4.845 5.538 -3.780 1.00 0.00 O ATOM 1658 OE2 GLU A 136 5.788 3.606 -3.913 1.00 0.00 O ATOM 0 H GLU A 136 0.835 5.867 -5.851 1.00 0.00 H new ATOM 0 HA GLU A 136 2.403 3.309 -5.662 1.00 0.00 H new ATOM 0 HB2 GLU A 136 3.229 5.280 -7.147 1.00 0.00 H new ATOM 0 HB3 GLU A 136 3.471 6.166 -5.655 1.00 0.00 H new ATOM 0 HG2 GLU A 136 4.676 3.400 -6.170 1.00 0.00 H new ATOM 0 HG3 GLU A 136 5.532 4.893 -6.497 1.00 0.00 H new ATOM 1665 N VAL A 137 2.860 3.578 -3.210 1.00 0.00 N ATOM 1666 CA VAL A 137 2.962 3.671 -1.725 1.00 0.00 C ATOM 1667 C VAL A 137 4.409 3.422 -1.313 1.00 0.00 C ATOM 1668 O VAL A 137 5.036 2.480 -1.758 1.00 0.00 O ATOM 1669 CB VAL A 137 2.055 2.614 -1.099 1.00 0.00 C ATOM 1670 CG1 VAL A 137 2.291 2.554 0.412 1.00 0.00 C ATOM 1671 CG2 VAL A 137 0.598 2.984 -1.376 1.00 0.00 C ATOM 0 H VAL A 137 3.216 2.710 -3.609 1.00 0.00 H new ATOM 0 HA VAL A 137 2.653 4.660 -1.385 1.00 0.00 H new ATOM 0 HB VAL A 137 2.278 1.638 -1.531 1.00 0.00 H new ATOM 0 HG11 VAL A 137 1.641 1.798 0.852 1.00 0.00 H new ATOM 0 HG12 VAL A 137 3.332 2.296 0.608 1.00 0.00 H new ATOM 0 HG13 VAL A 137 2.069 3.525 0.854 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -0.058 2.235 -0.933 1.00 0.00 H new ATOM 0 HG22 VAL A 137 0.381 3.959 -0.941 1.00 0.00 H new ATOM 0 HG23 VAL A 137 0.431 3.022 -2.452 1.00 0.00 H new ATOM 1681 N GLN A 138 4.941 4.262 -0.465 1.00 0.00 N ATOM 1682 CA GLN A 138 6.351 4.096 0.000 1.00 0.00 C ATOM 1683 C GLN A 138 6.359 3.890 1.508 1.00 0.00 C ATOM 1684 O GLN A 138 5.826 4.688 2.256 1.00 0.00 O ATOM 1685 CB GLN A 138 7.143 5.357 -0.344 1.00 0.00 C ATOM 1686 CG GLN A 138 8.582 5.204 0.152 1.00 0.00 C ATOM 1687 CD GLN A 138 9.423 6.375 -0.357 1.00 0.00 C ATOM 1688 OE1 GLN A 138 8.922 7.248 -1.035 1.00 0.00 O ATOM 1689 NE2 GLN A 138 10.692 6.430 -0.055 1.00 0.00 N ATOM 0 H GLN A 138 4.453 5.066 -0.070 1.00 0.00 H new ATOM 0 HA GLN A 138 6.804 3.234 -0.489 1.00 0.00 H new ATOM 0 HB2 GLN A 138 7.134 5.523 -1.421 1.00 0.00 H new ATOM 0 HB3 GLN A 138 6.678 6.229 0.117 1.00 0.00 H new ATOM 0 HG2 GLN A 138 8.601 5.175 1.241 1.00 0.00 H new ATOM 0 HG3 GLN A 138 9.001 4.261 -0.200 1.00 0.00 H new ATOM 0 HE21 GLN A 138 11.113 5.696 0.515 1.00 0.00 H new ATOM 0 HE22 GLN A 138 11.262 7.207 -0.389 1.00 0.00 H new ATOM 1698 N ILE A 139 6.968 2.823 1.964 1.00 0.00 N ATOM 1699 CA ILE A 139 7.032 2.544 3.432 1.00 0.00 C ATOM 1700 C ILE A 139 8.491 2.476 3.875 1.00 0.00 C ATOM 1701 O ILE A 139 9.298 1.767 3.306 1.00 0.00 O ATOM 1702 CB ILE A 139 6.346 1.209 3.729 1.00 0.00 C ATOM 1703 CG1 ILE A 139 4.854 1.321 3.399 1.00 0.00 C ATOM 1704 CG2 ILE A 139 6.519 0.872 5.212 1.00 0.00 C ATOM 1705 CD1 ILE A 139 4.207 -0.065 3.446 1.00 0.00 C ATOM 0 H ILE A 139 7.428 2.127 1.376 1.00 0.00 H new ATOM 0 HA ILE A 139 6.525 3.342 3.975 1.00 0.00 H new ATOM 0 HB ILE A 139 6.793 0.422 3.122 1.00 0.00 H new ATOM 0 HG12 ILE A 139 4.364 1.986 4.110 1.00 0.00 H new ATOM 0 HG13 ILE A 139 4.723 1.760 2.410 1.00 0.00 H new ATOM 0 HG21 ILE A 139 6.032 -0.079 5.428 1.00 0.00 H new ATOM 0 HG22 ILE A 139 7.581 0.797 5.447 1.00 0.00 H new ATOM 0 HG23 ILE A 139 6.068 1.657 5.819 1.00 0.00 H new ATOM 0 HD11 ILE A 139 3.146 0.021 3.211 1.00 0.00 H new ATOM 0 HD12 ILE A 139 4.689 -0.716 2.717 1.00 0.00 H new ATOM 0 HD13 ILE A 139 4.324 -0.488 4.444 1.00 0.00 H new ATOM 1717 N GLY A 140 8.831 3.205 4.902 1.00 0.00 N ATOM 1718 CA GLY A 140 10.230 3.190 5.415 1.00 0.00 C ATOM 1719 C GLY A 140 11.224 3.302 4.257 1.00 0.00 C ATOM 1720 O GLY A 140 11.227 4.260 3.510 1.00 0.00 O ATOM 0 H GLY A 140 8.193 3.816 5.412 1.00 0.00 H new ATOM 0 HA2 GLY A 140 10.378 4.016 6.111 1.00 0.00 H new ATOM 0 HA3 GLY A 140 10.411 2.269 5.970 1.00 0.00 H new ATOM 1724 N LYS A 141 12.083 2.327 4.118 1.00 0.00 N ATOM 1725 CA LYS A 141 13.096 2.359 3.024 1.00 0.00 C ATOM 1726 C LYS A 141 12.594 1.501 1.862 1.00 0.00 C ATOM 1727 O LYS A 141 13.083 1.589 0.754 1.00 0.00 O ATOM 1728 CB LYS A 141 14.408 1.773 3.554 1.00 0.00 C ATOM 1729 CG LYS A 141 15.510 1.947 2.508 1.00 0.00 C ATOM 1730 CD LYS A 141 16.842 1.442 3.070 1.00 0.00 C ATOM 1731 CE LYS A 141 17.939 1.622 2.018 1.00 0.00 C ATOM 1732 NZ LYS A 141 18.334 3.058 1.952 1.00 0.00 N ATOM 0 H LYS A 141 12.126 1.505 4.720 1.00 0.00 H new ATOM 0 HA LYS A 141 13.256 3.382 2.685 1.00 0.00 H new ATOM 0 HB2 LYS A 141 14.692 2.271 4.481 1.00 0.00 H new ATOM 0 HB3 LYS A 141 14.278 0.716 3.787 1.00 0.00 H new ATOM 0 HG2 LYS A 141 15.255 1.397 1.602 1.00 0.00 H new ATOM 0 HG3 LYS A 141 15.597 2.997 2.229 1.00 0.00 H new ATOM 0 HD2 LYS A 141 17.098 1.991 3.976 1.00 0.00 H new ATOM 0 HD3 LYS A 141 16.757 0.391 3.347 1.00 0.00 H new ATOM 0 HE2 LYS A 141 18.803 1.007 2.270 1.00 0.00 H new ATOM 0 HE3 LYS A 141 17.582 1.287 1.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 19.188 3.157 1.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 17.561 3.612 1.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 18.529 3.409 2.911 1.00 0.00 H new ATOM 1746 N PHE A 142 11.622 0.668 2.113 1.00 0.00 N ATOM 1747 CA PHE A 142 11.089 -0.204 1.029 1.00 0.00 C ATOM 1748 C PHE A 142 10.115 0.580 0.152 1.00 0.00 C ATOM 1749 O PHE A 142 9.392 1.437 0.621 1.00 0.00 O ATOM 1750 CB PHE A 142 10.377 -1.403 1.654 1.00 0.00 C ATOM 1751 CG PHE A 142 11.412 -2.351 2.209 1.00 0.00 C ATOM 1752 CD1 PHE A 142 11.972 -2.112 3.469 1.00 0.00 C ATOM 1753 CD2 PHE A 142 11.819 -3.462 1.460 1.00 0.00 C ATOM 1754 CE1 PHE A 142 12.939 -2.983 3.980 1.00 0.00 C ATOM 1755 CE2 PHE A 142 12.785 -4.333 1.972 1.00 0.00 C ATOM 1756 CZ PHE A 142 13.346 -4.094 3.231 1.00 0.00 C ATOM 0 H PHE A 142 11.174 0.554 3.022 1.00 0.00 H new ATOM 0 HA PHE A 142 11.914 -0.551 0.407 1.00 0.00 H new ATOM 0 HB2 PHE A 142 9.706 -1.072 2.446 1.00 0.00 H new ATOM 0 HB3 PHE A 142 9.764 -1.909 0.908 1.00 0.00 H new ATOM 0 HD1 PHE A 142 11.657 -1.255 4.046 1.00 0.00 H new ATOM 0 HD2 PHE A 142 11.387 -3.646 0.487 1.00 0.00 H new ATOM 0 HE1 PHE A 142 13.372 -2.799 4.952 1.00 0.00 H new ATOM 0 HE2 PHE A 142 13.098 -5.191 1.395 1.00 0.00 H new ATOM 0 HZ PHE A 142 14.093 -4.767 3.625 1.00 0.00 H new ATOM 1766 N ARG A 143 10.097 0.284 -1.125 1.00 0.00 N ATOM 1767 CA ARG A 143 9.180 0.995 -2.070 1.00 0.00 C ATOM 1768 C ARG A 143 8.174 0.001 -2.647 1.00 0.00 C ATOM 1769 O ARG A 143 8.539 -1.029 -3.179 1.00 0.00 O ATOM 1770 CB ARG A 143 10.010 1.599 -3.202 1.00 0.00 C ATOM 1771 CG ARG A 143 9.098 2.388 -4.142 1.00 0.00 C ATOM 1772 CD ARG A 143 9.938 3.057 -5.231 1.00 0.00 C ATOM 1773 NE ARG A 143 9.063 3.959 -6.032 1.00 0.00 N ATOM 1774 CZ ARG A 143 9.554 4.642 -7.032 1.00 0.00 C ATOM 1775 NH1 ARG A 143 10.815 4.537 -7.343 1.00 0.00 N ATOM 1776 NH2 ARG A 143 8.778 5.433 -7.721 1.00 0.00 N ATOM 0 H ARG A 143 10.685 -0.428 -1.557 1.00 0.00 H new ATOM 0 HA ARG A 143 8.643 1.784 -1.544 1.00 0.00 H new ATOM 0 HB2 ARG A 143 10.780 2.253 -2.793 1.00 0.00 H new ATOM 0 HB3 ARG A 143 10.521 0.810 -3.753 1.00 0.00 H new ATOM 0 HG2 ARG A 143 8.362 1.723 -4.594 1.00 0.00 H new ATOM 0 HG3 ARG A 143 8.545 3.141 -3.581 1.00 0.00 H new ATOM 0 HD2 ARG A 143 10.754 3.624 -4.782 1.00 0.00 H new ATOM 0 HD3 ARG A 143 10.391 2.302 -5.874 1.00 0.00 H new ATOM 0 HE ARG A 143 8.074 4.044 -5.798 1.00 0.00 H new ATOM 0 HH11 ARG A 143 11.423 3.920 -6.805 1.00 0.00 H new ATOM 0 HH12 ARG A 143 11.194 5.072 -8.124 1.00 0.00 H new ATOM 0 HH21 ARG A 143 7.791 5.517 -7.479 1.00 0.00 H new ATOM 0 HH22 ARG A 143 9.159 5.967 -8.502 1.00 0.00 H new ATOM 1790 N LEU A 144 6.905 0.307 -2.540 1.00 0.00 N ATOM 1791 CA LEU A 144 5.847 -0.607 -3.070 1.00 0.00 C ATOM 1792 C LEU A 144 4.918 0.164 -3.997 1.00 0.00 C ATOM 1793 O LEU A 144 4.822 1.373 -3.934 1.00 0.00 O ATOM 1794 CB LEU A 144 5.032 -1.180 -1.907 1.00 0.00 C ATOM 1795 CG LEU A 144 5.927 -2.077 -1.017 1.00 0.00 C ATOM 1796 CD1 LEU A 144 6.539 -1.252 0.123 1.00 0.00 C ATOM 1797 CD2 LEU A 144 5.089 -3.213 -0.417 1.00 0.00 C ATOM 0 H LEU A 144 6.554 1.159 -2.104 1.00 0.00 H new ATOM 0 HA LEU A 144 6.322 -1.419 -3.621 1.00 0.00 H new ATOM 0 HB2 LEU A 144 4.613 -0.368 -1.313 1.00 0.00 H new ATOM 0 HB3 LEU A 144 4.193 -1.759 -2.292 1.00 0.00 H new ATOM 0 HG LEU A 144 6.726 -2.491 -1.633 1.00 0.00 H new ATOM 0 HD11 LEU A 144 7.166 -1.895 0.741 1.00 0.00 H new ATOM 0 HD12 LEU A 144 7.144 -0.447 -0.294 1.00 0.00 H new ATOM 0 HD13 LEU A 144 5.742 -0.827 0.733 1.00 0.00 H new ATOM 0 HD21 LEU A 144 5.723 -3.842 0.208 1.00 0.00 H new ATOM 0 HD22 LEU A 144 4.286 -2.792 0.188 1.00 0.00 H new ATOM 0 HD23 LEU A 144 4.662 -3.814 -1.220 1.00 0.00 H new ATOM 1809 N VAL A 145 4.233 -0.541 -4.860 1.00 0.00 N ATOM 1810 CA VAL A 145 3.292 0.116 -5.813 1.00 0.00 C ATOM 1811 C VAL A 145 1.899 -0.493 -5.648 1.00 0.00 C ATOM 1812 O VAL A 145 1.744 -1.697 -5.534 1.00 0.00 O ATOM 1813 CB VAL A 145 3.797 -0.091 -7.243 1.00 0.00 C ATOM 1814 CG1 VAL A 145 3.626 -1.555 -7.659 1.00 0.00 C ATOM 1815 CG2 VAL A 145 2.997 0.805 -8.189 1.00 0.00 C ATOM 0 H VAL A 145 4.287 -1.556 -4.945 1.00 0.00 H new ATOM 0 HA VAL A 145 3.237 1.185 -5.607 1.00 0.00 H new ATOM 0 HB VAL A 145 4.855 0.166 -7.291 1.00 0.00 H new ATOM 0 HG11 VAL A 145 3.989 -1.688 -8.678 1.00 0.00 H new ATOM 0 HG12 VAL A 145 4.196 -2.194 -6.984 1.00 0.00 H new ATOM 0 HG13 VAL A 145 2.571 -1.826 -7.611 1.00 0.00 H new ATOM 0 HG21 VAL A 145 3.351 0.663 -9.210 1.00 0.00 H new ATOM 0 HG22 VAL A 145 1.940 0.543 -8.131 1.00 0.00 H new ATOM 0 HG23 VAL A 145 3.129 1.848 -7.901 1.00 0.00 H new ATOM 1825 N PHE A 146 0.884 0.332 -5.612 1.00 0.00 N ATOM 1826 CA PHE A 146 -0.501 -0.188 -5.431 1.00 0.00 C ATOM 1827 C PHE A 146 -1.130 -0.478 -6.792 1.00 0.00 C ATOM 1828 O PHE A 146 -1.452 0.426 -7.551 1.00 0.00 O ATOM 1829 CB PHE A 146 -1.337 0.861 -4.695 1.00 0.00 C ATOM 1830 CG PHE A 146 -2.747 0.356 -4.529 1.00 0.00 C ATOM 1831 CD1 PHE A 146 -3.691 0.571 -5.538 1.00 0.00 C ATOM 1832 CD2 PHE A 146 -3.113 -0.326 -3.366 1.00 0.00 C ATOM 1833 CE1 PHE A 146 -5.000 0.102 -5.381 1.00 0.00 C ATOM 1834 CE2 PHE A 146 -4.421 -0.793 -3.208 1.00 0.00 C ATOM 1835 CZ PHE A 146 -5.364 -0.579 -4.217 1.00 0.00 C ATOM 0 H PHE A 146 0.957 1.346 -5.701 1.00 0.00 H new ATOM 0 HA PHE A 146 -0.469 -1.110 -4.851 1.00 0.00 H new ATOM 0 HB2 PHE A 146 -0.898 1.072 -3.720 1.00 0.00 H new ATOM 0 HB3 PHE A 146 -1.338 1.797 -5.253 1.00 0.00 H new ATOM 0 HD1 PHE A 146 -3.410 1.099 -6.438 1.00 0.00 H new ATOM 0 HD2 PHE A 146 -2.384 -0.493 -2.587 1.00 0.00 H new ATOM 0 HE1 PHE A 146 -5.729 0.267 -6.160 1.00 0.00 H new ATOM 0 HE2 PHE A 146 -4.702 -1.318 -2.307 1.00 0.00 H new ATOM 0 HZ PHE A 146 -6.375 -0.940 -4.097 1.00 0.00 H new ATOM 1845 N LEU A 147 -1.316 -1.742 -7.100 1.00 0.00 N ATOM 1846 CA LEU A 147 -1.934 -2.136 -8.403 1.00 0.00 C ATOM 1847 C LEU A 147 -2.920 -3.280 -8.171 1.00 0.00 C ATOM 1848 O LEU A 147 -2.704 -4.145 -7.343 1.00 0.00 O ATOM 1849 CB LEU A 147 -0.841 -2.590 -9.375 1.00 0.00 C ATOM 1850 CG LEU A 147 0.056 -1.400 -9.751 1.00 0.00 C ATOM 1851 CD1 LEU A 147 1.260 -1.909 -10.550 1.00 0.00 C ATOM 1852 CD2 LEU A 147 -0.732 -0.373 -10.592 1.00 0.00 C ATOM 0 H LEU A 147 -1.062 -2.523 -6.495 1.00 0.00 H new ATOM 0 HA LEU A 147 -2.461 -1.282 -8.828 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -0.242 -3.378 -8.919 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -1.293 -3.013 -10.272 1.00 0.00 H new ATOM 0 HG LEU A 147 0.398 -0.910 -8.839 1.00 0.00 H new ATOM 0 HD11 LEU A 147 1.900 -1.068 -10.819 1.00 0.00 H new ATOM 0 HD12 LEU A 147 1.826 -2.616 -9.944 1.00 0.00 H new ATOM 0 HD13 LEU A 147 0.912 -2.405 -11.456 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -0.081 0.463 -10.849 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -1.090 -0.849 -11.505 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -1.582 -0.007 -10.016 1.00 0.00 H new ATOM 1864 N THR A 148 -4.007 -3.286 -8.890 1.00 0.00 N ATOM 1865 CA THR A 148 -5.019 -4.365 -8.711 1.00 0.00 C ATOM 1866 C THR A 148 -4.668 -5.575 -9.580 1.00 0.00 C ATOM 1867 O THR A 148 -3.827 -5.507 -10.455 1.00 0.00 O ATOM 1868 CB THR A 148 -6.394 -3.830 -9.116 1.00 0.00 C ATOM 1869 OG1 THR A 148 -6.370 -3.457 -10.488 1.00 0.00 O ATOM 1870 CG2 THR A 148 -6.738 -2.611 -8.261 1.00 0.00 C ATOM 0 H THR A 148 -4.239 -2.588 -9.596 1.00 0.00 H new ATOM 0 HA THR A 148 -5.030 -4.676 -7.666 1.00 0.00 H new ATOM 0 HB THR A 148 -7.146 -4.604 -8.963 1.00 0.00 H new ATOM 0 HG1 THR A 148 -7.251 -3.116 -10.750 1.00 0.00 H new ATOM 0 HG21 THR A 148 -7.718 -2.229 -8.549 1.00 0.00 H new ATOM 0 HG22 THR A 148 -6.755 -2.897 -7.209 1.00 0.00 H new ATOM 0 HG23 THR A 148 -5.987 -1.836 -8.414 1.00 0.00 H new