USER MOD reduce.3.24.130724 H: found=0, std=0, add=1307, rem=0, adj=48 USER MOD reduce.3.24.130724 removed 1309 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: B 56 HIS : no HD1:sc= 0 X(o=-0.46,f=-0.59) USER MOD Set 1.2: B 60 CYS SG : rot -115:sc= -0.338 USER MOD Set 1.3: B 97 MET CE :methyl -172:sc= -0.117 (180deg=-0.334) USER MOD Set 2.1: A 56 HIS : no HE2:sc= -0.112 K(o=-0.49,f=-1.5) USER MOD Set 2.2: A 97 MET CE :methyl 169:sc= -0.382 (180deg=-0.3) USER MOD Set 3.1: A 38 SER OG : rot 171:sc= -0.122 USER MOD Set 3.2: A 112 LYS NZ :NH3+ -120:sc= 0.982 (180deg=0.275) USER MOD Single : A 36 LYS NZ :NH3+ 154:sc= 1.27 (180deg=1.19) USER MOD Single : A 40 TYR OH : rot 180:sc= -1.19 USER MOD Single : A 43 ASN : amide:sc= 1.8 K(o=1.8,f=-5.5!) USER MOD Single : A 46 TYR OH : rot -91:sc= 1.26 USER MOD Single : A 48 SER OG : rot 130:sc= -0.344 USER MOD Single : A 49 THR OG1 : rot -57:sc= 1.1 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0.33) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot 153:sc= -1.1 USER MOD Single : A 62 SER OG : rot -119:sc= 1.23 USER MOD Single : A 64 ASN : amide:sc= -0.605 K(o=-0.6,f=-4.3!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 CYS SG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -174:sc= 1.05 (180deg=0.798) USER MOD Single : A 74 SER OG : rot -37:sc= 0.376 USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=-0.0053) USER MOD Single : A 78 LYS NZ :NH3+ -167:sc= -0.038 (180deg=-0.231) USER MOD Single : A 80 TYR OH : rot 180:sc= -0.161 USER MOD Single : A 82 TYR OH : rot 151:sc= -0.176 USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot -30:sc= -1.78 USER MOD Single : A 100 THR OG1 : rot -141:sc= -2.23! USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ -164:sc= 0.491 (180deg=0.0228!) USER MOD Single : B 24 GLN : amide:sc= -0.575 X(o=-0.58,f=-0.26) USER MOD Single : B 27 SER OG : rot 180:sc= 0 USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 LYS NZ :NH3+ -154:sc= 1.22 (180deg=1.06) USER MOD Single : B 36 LYS NZ :NH3+ 151:sc= 1.23 (180deg=1.11) USER MOD Single : B 38 SER OG : rot 50:sc= 0.694 USER MOD Single : B 40 TYR OH : rot 180:sc= 0 USER MOD Single : B 43 ASN : amide:sc= -0.061 K(o=-0.061,f=-1.3) USER MOD Single : B 46 TYR OH : rot -159:sc= -0.246! USER MOD Single : B 48 SER OG : rot -58:sc= -3.25! USER MOD Single : B 49 THR OG1 : rot -79:sc= 1.28 USER MOD Single : B 51 GLN : amide:sc=-0.00354 X(o=-0.0035,f=0.44) USER MOD Single : B 58 SER OG : rot 180:sc= 0 USER MOD Single : B 59 SER OG : rot 180:sc= 0 USER MOD Single : B 62 SER OG : rot 102:sc= 1.32 USER MOD Single : B 64 ASN : amide:sc= -0.362 K(o=-0.36,f=-4!) USER MOD Single : B 67 THR OG1 : rot 180:sc= 0 USER MOD Single : B 70 CYS SG : rot 180:sc= 0 USER MOD Single : B 72 LYS NZ :NH3+ -161:sc= 0.999 (180deg=-0.51!) USER MOD Single : B 74 SER OG : rot 76:sc= 1.3 USER MOD Single : B 76 HIS : no HD1:sc= 0 X(o=0,f=-0.00083) USER MOD Single : B 78 LYS NZ :NH3+ -166:sc= -0.0351 (180deg=-0.252) USER MOD Single : B 80 TYR OH : rot 180:sc= 0 USER MOD Single : B 82 TYR OH : rot -93:sc= 0.0488 USER MOD Single : B 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 90 SER OG : rot -30:sc= -2.69! USER MOD Single : B 100 THR OG1 : rot -85:sc= 1.26 USER MOD Single : B 106 THR OG1 : rot 180:sc= 0 USER MOD Single : B 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 112 LYS NZ :NH3+ -136:sc= 1.2 (180deg=0.895) USER MOD ----------------------------------------------------------------- ATOM 468 N GLU A 33 -14.763 9.527 8.235 1.00 12.03 N ATOM 469 CA GLU A 33 -15.612 9.345 7.078 1.00 54.22 C ATOM 470 C GLU A 33 -14.963 8.462 6.017 1.00 72.35 C ATOM 471 O GLU A 33 -15.614 7.609 5.460 1.00 21.31 O ATOM 472 CB GLU A 33 -16.066 10.684 6.502 1.00 54.33 C ATOM 473 CG GLU A 33 -17.010 11.455 7.418 1.00 35.43 C ATOM 474 CD GLU A 33 -18.340 10.756 7.629 1.00 34.25 C ATOM 475 OE1 GLU A 33 -18.444 9.901 8.490 1.00 30.04 O ATOM 476 OE2 GLU A 33 -19.305 11.077 6.930 1.00 1.20 O ATOM 0 HA GLU A 33 -16.503 8.817 7.418 1.00 54.22 H new ATOM 0 HB2 GLU A 33 -15.189 11.298 6.298 1.00 54.33 H new ATOM 0 HB3 GLU A 33 -16.562 10.510 5.547 1.00 54.33 H new ATOM 0 HG2 GLU A 33 -16.528 11.604 8.384 1.00 35.43 H new ATOM 0 HG3 GLU A 33 -17.189 12.444 6.995 1.00 35.43 H new ATOM 483 N ILE A 34 -13.670 8.645 5.790 1.00 65.44 N ATOM 484 CA ILE A 34 -12.968 7.892 4.742 1.00 51.23 C ATOM 485 C ILE A 34 -12.904 6.391 5.028 1.00 44.03 C ATOM 486 O ILE A 34 -13.030 5.584 4.115 1.00 64.11 O ATOM 487 CB ILE A 34 -11.583 8.474 4.346 1.00 44.05 C ATOM 488 CG1 ILE A 34 -10.633 8.545 5.552 1.00 41.15 C ATOM 489 CG2 ILE A 34 -11.749 9.837 3.675 1.00 72.20 C ATOM 490 CD1 ILE A 34 -9.305 9.221 5.263 1.00 53.34 C ATOM 0 H ILE A 34 -13.084 9.300 6.308 1.00 65.44 H new ATOM 0 HA ILE A 34 -13.592 8.021 3.858 1.00 51.23 H new ATOM 0 HB ILE A 34 -11.124 7.797 3.625 1.00 44.05 H new ATOM 0 HG12 ILE A 34 -11.131 9.080 6.361 1.00 41.15 H new ATOM 0 HG13 ILE A 34 -10.442 7.533 5.909 1.00 41.15 H new ATOM 0 HG21 ILE A 34 -10.769 10.231 3.404 1.00 72.20 H new ATOM 0 HG22 ILE A 34 -12.358 9.729 2.777 1.00 72.20 H new ATOM 0 HG23 ILE A 34 -12.238 10.525 4.365 1.00 72.20 H new ATOM 0 HD11 ILE A 34 -8.696 9.228 6.167 1.00 53.34 H new ATOM 0 HD12 ILE A 34 -8.782 8.675 4.478 1.00 53.34 H new ATOM 0 HD13 ILE A 34 -9.482 10.246 4.936 1.00 53.34 H new ATOM 502 N ASP A 35 -12.765 6.003 6.299 1.00 5.22 N ATOM 503 CA ASP A 35 -12.765 4.570 6.632 1.00 52.21 C ATOM 504 C ASP A 35 -14.158 3.977 6.467 1.00 71.10 C ATOM 505 O ASP A 35 -14.307 2.816 6.127 1.00 12.14 O ATOM 506 CB ASP A 35 -12.206 4.250 8.028 1.00 61.25 C ATOM 507 CG ASP A 35 -10.705 4.432 8.156 1.00 61.15 C ATOM 508 OD1 ASP A 35 -9.959 3.745 7.443 1.00 61.23 O ATOM 509 OD2 ASP A 35 -10.264 5.187 9.015 1.00 12.14 O ATOM 0 H ASP A 35 -12.654 6.634 7.093 1.00 5.22 H new ATOM 0 HA ASP A 35 -12.082 4.104 5.922 1.00 52.21 H new ATOM 0 HB2 ASP A 35 -12.701 4.888 8.760 1.00 61.25 H new ATOM 0 HB3 ASP A 35 -12.458 3.220 8.280 1.00 61.25 H new ATOM 514 N LYS A 36 -15.168 4.810 6.670 1.00 14.24 N ATOM 515 CA LYS A 36 -16.590 4.433 6.486 1.00 22.31 C ATOM 516 C LYS A 36 -16.913 4.328 5.010 1.00 64.44 C ATOM 517 O LYS A 36 -17.933 3.757 4.618 1.00 43.11 O ATOM 518 CB LYS A 36 -17.488 5.483 7.133 1.00 24.41 C ATOM 519 CG LYS A 36 -17.374 5.560 8.649 1.00 74.54 C ATOM 520 CD LYS A 36 -18.099 6.783 9.195 1.00 3.42 C ATOM 521 CE LYS A 36 -19.567 6.805 8.820 1.00 22.32 C ATOM 522 NZ LYS A 36 -20.215 8.043 9.276 1.00 1.40 N ATOM 0 H LYS A 36 -15.039 5.776 6.969 1.00 14.24 H new ATOM 0 HA LYS A 36 -16.764 3.466 6.958 1.00 22.31 H new ATOM 0 HB2 LYS A 36 -17.246 6.459 6.713 1.00 24.41 H new ATOM 0 HB3 LYS A 36 -18.524 5.270 6.869 1.00 24.41 H new ATOM 0 HG2 LYS A 36 -17.793 4.657 9.094 1.00 74.54 H new ATOM 0 HG3 LYS A 36 -16.323 5.599 8.936 1.00 74.54 H new ATOM 0 HD2 LYS A 36 -18.005 6.802 10.281 1.00 3.42 H new ATOM 0 HD3 LYS A 36 -17.618 7.685 8.817 1.00 3.42 H new ATOM 0 HE2 LYS A 36 -19.670 6.715 7.739 1.00 22.32 H new ATOM 0 HE3 LYS A 36 -20.070 5.945 9.261 1.00 22.32 H new ATOM 0 HZ1 LYS A 36 -21.035 8.249 8.670 1.00 1.40 H new ATOM 0 HZ2 LYS A 36 -20.532 7.927 10.260 1.00 1.40 H new ATOM 0 HZ3 LYS A 36 -19.537 8.830 9.221 1.00 1.40 H new ATOM 536 N ARG A 37 -16.045 4.880 4.209 1.00 35.34 N ATOM 537 CA ARG A 37 -16.175 4.863 2.783 1.00 40.13 C ATOM 538 C ARG A 37 -15.193 3.855 2.208 1.00 32.51 C ATOM 539 O ARG A 37 -14.964 3.804 1.008 1.00 40.31 O ATOM 540 CB ARG A 37 -15.885 6.250 2.237 1.00 33.13 C ATOM 541 CG ARG A 37 -16.832 7.316 2.741 1.00 14.40 C ATOM 542 CD ARG A 37 -16.400 8.696 2.300 1.00 71.23 C ATOM 543 NE ARG A 37 -17.296 9.734 2.823 1.00 12.23 N ATOM 544 CZ ARG A 37 -17.032 11.044 2.861 1.00 24.12 C ATOM 545 NH1 ARG A 37 -15.881 11.516 2.395 1.00 20.14 N ATOM 546 NH2 ARG A 37 -17.937 11.880 3.355 1.00 44.40 N ATOM 0 H ARG A 37 -15.210 5.364 4.539 1.00 35.34 H new ATOM 0 HA ARG A 37 -17.188 4.577 2.501 1.00 40.13 H new ATOM 0 HB2 ARG A 37 -14.865 6.529 2.502 1.00 33.13 H new ATOM 0 HB3 ARG A 37 -15.934 6.219 1.149 1.00 33.13 H new ATOM 0 HG2 ARG A 37 -17.838 7.114 2.373 1.00 14.40 H new ATOM 0 HG3 ARG A 37 -16.877 7.279 3.829 1.00 14.40 H new ATOM 0 HD2 ARG A 37 -15.383 8.886 2.642 1.00 71.23 H new ATOM 0 HD3 ARG A 37 -16.384 8.743 1.211 1.00 71.23 H new ATOM 0 HE ARG A 37 -18.198 9.430 3.189 1.00 12.23 H new ATOM 0 HH11 ARG A 37 -15.189 10.877 2.004 1.00 20.14 H new ATOM 0 HH12 ARG A 37 -15.689 12.517 2.429 1.00 20.14 H new ATOM 0 HH21 ARG A 37 -18.827 11.522 3.702 1.00 44.40 H new ATOM 0 HH22 ARG A 37 -17.743 12.881 3.387 1.00 44.40 H new ATOM 560 N SER A 38 -14.630 3.056 3.068 1.00 10.14 N ATOM 561 CA SER A 38 -13.697 2.057 2.665 1.00 24.51 C ATOM 562 C SER A 38 -14.325 0.650 2.756 1.00 74.05 C ATOM 563 O SER A 38 -15.281 0.409 3.522 1.00 14.14 O ATOM 564 CB SER A 38 -12.423 2.184 3.520 1.00 33.11 C ATOM 565 OG SER A 38 -11.395 1.275 3.125 1.00 20.11 O ATOM 0 H SER A 38 -14.809 3.083 4.072 1.00 10.14 H new ATOM 0 HA SER A 38 -13.424 2.206 1.620 1.00 24.51 H new ATOM 0 HB2 SER A 38 -12.045 3.204 3.450 1.00 33.11 H new ATOM 0 HB3 SER A 38 -12.674 2.008 4.566 1.00 33.11 H new ATOM 0 HG SER A 38 -10.565 1.494 3.598 1.00 20.11 H new ATOM 571 N VAL A 39 -13.773 -0.262 1.992 1.00 70.53 N ATOM 572 CA VAL A 39 -14.247 -1.627 1.903 1.00 70.41 C ATOM 573 C VAL A 39 -13.077 -2.572 1.933 1.00 53.02 C ATOM 574 O VAL A 39 -11.937 -2.163 1.726 1.00 23.22 O ATOM 575 CB VAL A 39 -15.082 -1.918 0.604 1.00 1.33 C ATOM 576 CG1 VAL A 39 -16.340 -1.090 0.551 1.00 51.24 C ATOM 577 CG2 VAL A 39 -14.255 -1.698 -0.653 1.00 61.22 C ATOM 0 H VAL A 39 -12.963 -0.074 1.401 1.00 70.53 H new ATOM 0 HA VAL A 39 -14.906 -1.776 2.759 1.00 70.41 H new ATOM 0 HB VAL A 39 -15.369 -2.969 0.646 1.00 1.33 H new ATOM 0 HG11 VAL A 39 -16.889 -1.320 -0.362 1.00 51.24 H new ATOM 0 HG12 VAL A 39 -16.962 -1.318 1.416 1.00 51.24 H new ATOM 0 HG13 VAL A 39 -16.080 -0.032 0.560 1.00 51.24 H new ATOM 0 HG21 VAL A 39 -14.865 -1.909 -1.531 1.00 61.22 H new ATOM 0 HG22 VAL A 39 -13.914 -0.663 -0.688 1.00 61.22 H new ATOM 0 HG23 VAL A 39 -13.392 -2.364 -0.642 1.00 61.22 H new ATOM 587 N TYR A 40 -13.364 -3.805 2.171 1.00 3.42 N ATOM 588 CA TYR A 40 -12.407 -4.861 2.169 1.00 2.44 C ATOM 589 C TYR A 40 -12.677 -5.723 0.974 1.00 34.41 C ATOM 590 O TYR A 40 -13.803 -6.143 0.763 1.00 11.24 O ATOM 591 CB TYR A 40 -12.505 -5.713 3.444 1.00 43.22 C ATOM 592 CG TYR A 40 -11.858 -7.094 3.297 1.00 72.54 C ATOM 593 CD1 TYR A 40 -10.496 -7.284 3.406 1.00 12.41 C ATOM 594 CD2 TYR A 40 -12.644 -8.202 3.015 1.00 40.42 C ATOM 595 CE1 TYR A 40 -9.948 -8.546 3.237 1.00 61.30 C ATOM 596 CE2 TYR A 40 -12.119 -9.440 2.843 1.00 72.13 C ATOM 597 CZ TYR A 40 -10.778 -9.624 2.952 1.00 72.44 C ATOM 598 OH TYR A 40 -10.256 -10.895 2.758 1.00 64.03 O ATOM 0 H TYR A 40 -14.311 -4.120 2.381 1.00 3.42 H new ATOM 0 HA TYR A 40 -11.404 -4.435 2.132 1.00 2.44 H new ATOM 0 HB2 TYR A 40 -12.028 -5.181 4.267 1.00 43.22 H new ATOM 0 HB3 TYR A 40 -13.555 -5.837 3.711 1.00 43.22 H new ATOM 0 HD1 TYR A 40 -9.853 -6.444 3.624 1.00 12.41 H new ATOM 0 HD2 TYR A 40 -13.713 -8.074 2.929 1.00 40.42 H new ATOM 0 HE1 TYR A 40 -8.882 -8.691 3.326 1.00 61.30 H new ATOM 0 HE2 TYR A 40 -12.765 -10.277 2.620 1.00 72.13 H new ATOM 0 HH TYR A 40 -10.985 -11.523 2.570 1.00 64.03 H new ATOM 608 N VAL A 41 -11.675 -5.940 0.198 1.00 75.42 N ATOM 609 CA VAL A 41 -11.726 -6.784 -0.958 1.00 1.43 C ATOM 610 C VAL A 41 -10.689 -7.879 -0.771 1.00 52.42 C ATOM 611 O VAL A 41 -9.509 -7.600 -0.749 1.00 2.51 O ATOM 612 CB VAL A 41 -11.347 -5.956 -2.192 1.00 23.45 C ATOM 613 CG1 VAL A 41 -11.395 -6.805 -3.459 1.00 24.34 C ATOM 614 CG2 VAL A 41 -12.266 -4.762 -2.317 1.00 33.45 C ATOM 0 H VAL A 41 -10.758 -5.521 0.351 1.00 75.42 H new ATOM 0 HA VAL A 41 -12.723 -7.206 -1.088 1.00 1.43 H new ATOM 0 HB VAL A 41 -10.324 -5.602 -2.067 1.00 23.45 H new ATOM 0 HG11 VAL A 41 -11.122 -6.192 -4.318 1.00 24.34 H new ATOM 0 HG12 VAL A 41 -10.694 -7.635 -3.368 1.00 24.34 H new ATOM 0 HG13 VAL A 41 -12.403 -7.195 -3.598 1.00 24.34 H new ATOM 0 HG21 VAL A 41 -11.989 -4.180 -3.196 1.00 33.45 H new ATOM 0 HG22 VAL A 41 -13.296 -5.105 -2.418 1.00 33.45 H new ATOM 0 HG23 VAL A 41 -12.177 -4.139 -1.427 1.00 33.45 H new ATOM 624 N GLY A 42 -11.105 -9.094 -0.614 1.00 34.25 N ATOM 625 CA GLY A 42 -10.140 -10.136 -0.363 1.00 41.30 C ATOM 626 C GLY A 42 -10.098 -11.197 -1.421 1.00 73.40 C ATOM 627 O GLY A 42 -10.955 -11.243 -2.281 1.00 63.53 O ATOM 0 H GLY A 42 -12.079 -9.393 -0.652 1.00 34.25 H new ATOM 0 HA2 GLY A 42 -9.151 -9.687 -0.274 1.00 41.30 H new ATOM 0 HA3 GLY A 42 -10.366 -10.603 0.596 1.00 41.30 H new ATOM 631 N ASN A 43 -9.113 -12.086 -1.290 1.00 14.13 N ATOM 632 CA ASN A 43 -8.804 -13.191 -2.243 1.00 22.32 C ATOM 633 C ASN A 43 -8.452 -12.659 -3.670 1.00 21.21 C ATOM 634 O ASN A 43 -8.531 -13.393 -4.654 1.00 71.55 O ATOM 635 CB ASN A 43 -9.971 -14.209 -2.305 1.00 5.44 C ATOM 636 CG ASN A 43 -9.573 -15.545 -2.939 1.00 52.32 C ATOM 637 OD1 ASN A 43 -8.430 -15.987 -2.811 1.00 40.22 O ATOM 638 ND2 ASN A 43 -10.492 -16.186 -3.619 1.00 61.13 N ATOM 0 H ASN A 43 -8.476 -12.069 -0.493 1.00 14.13 H new ATOM 0 HA ASN A 43 -7.919 -13.702 -1.865 1.00 22.32 H new ATOM 0 HB2 ASN A 43 -10.341 -14.389 -1.296 1.00 5.44 H new ATOM 0 HB3 ASN A 43 -10.793 -13.775 -2.874 1.00 5.44 H new ATOM 0 HD21 ASN A 43 -10.270 -17.078 -4.061 1.00 61.13 H new ATOM 0 HD22 ASN A 43 -11.429 -15.793 -3.706 1.00 61.13 H new ATOM 645 N VAL A 44 -8.056 -11.394 -3.753 1.00 62.53 N ATOM 646 CA VAL A 44 -7.617 -10.792 -5.029 1.00 21.40 C ATOM 647 C VAL A 44 -6.328 -11.457 -5.505 1.00 33.40 C ATOM 648 O VAL A 44 -5.442 -11.784 -4.702 1.00 31.14 O ATOM 649 CB VAL A 44 -7.473 -9.226 -4.938 1.00 41.12 C ATOM 650 CG1 VAL A 44 -6.402 -8.794 -3.966 1.00 55.34 C ATOM 651 CG2 VAL A 44 -7.237 -8.613 -6.299 1.00 55.33 C ATOM 0 H VAL A 44 -8.026 -10.756 -2.957 1.00 62.53 H new ATOM 0 HA VAL A 44 -8.394 -10.976 -5.771 1.00 21.40 H new ATOM 0 HB VAL A 44 -8.423 -8.855 -4.552 1.00 41.12 H new ATOM 0 HG11 VAL A 44 -6.348 -7.706 -3.945 1.00 55.34 H new ATOM 0 HG12 VAL A 44 -6.644 -9.165 -2.970 1.00 55.34 H new ATOM 0 HG13 VAL A 44 -5.440 -9.199 -4.281 1.00 55.34 H new ATOM 0 HG21 VAL A 44 -7.142 -7.532 -6.200 1.00 55.33 H new ATOM 0 HG22 VAL A 44 -6.321 -9.020 -6.727 1.00 55.33 H new ATOM 0 HG23 VAL A 44 -8.077 -8.845 -6.953 1.00 55.33 H new ATOM 661 N ASP A 45 -6.247 -11.686 -6.801 1.00 22.23 N ATOM 662 CA ASP A 45 -5.122 -12.382 -7.380 1.00 20.31 C ATOM 663 C ASP A 45 -3.999 -11.396 -7.588 1.00 23.43 C ATOM 664 O ASP A 45 -4.242 -10.199 -7.735 1.00 61.35 O ATOM 665 CB ASP A 45 -5.522 -13.022 -8.727 1.00 52.53 C ATOM 666 CG ASP A 45 -4.459 -13.951 -9.308 1.00 2.13 C ATOM 667 OD1 ASP A 45 -3.480 -13.469 -9.912 1.00 31.20 O ATOM 668 OD2 ASP A 45 -4.598 -15.178 -9.166 1.00 74.11 O ATOM 0 H ASP A 45 -6.955 -11.396 -7.475 1.00 22.23 H new ATOM 0 HA ASP A 45 -4.798 -13.177 -6.708 1.00 20.31 H new ATOM 0 HB2 ASP A 45 -6.447 -13.583 -8.592 1.00 52.53 H new ATOM 0 HB3 ASP A 45 -5.732 -12.231 -9.446 1.00 52.53 H new ATOM 673 N TYR A 46 -2.788 -11.897 -7.635 1.00 2.35 N ATOM 674 CA TYR A 46 -1.611 -11.053 -7.784 1.00 64.32 C ATOM 675 C TYR A 46 -1.606 -10.431 -9.200 1.00 61.22 C ATOM 676 O TYR A 46 -0.910 -9.435 -9.476 1.00 15.33 O ATOM 677 CB TYR A 46 -0.340 -11.878 -7.566 1.00 15.01 C ATOM 678 CG TYR A 46 0.817 -11.056 -7.070 1.00 12.44 C ATOM 679 CD1 TYR A 46 1.671 -10.355 -7.929 1.00 3.41 C ATOM 680 CD2 TYR A 46 1.034 -10.950 -5.706 1.00 50.23 C ATOM 681 CE1 TYR A 46 2.680 -9.587 -7.428 1.00 13.12 C ATOM 682 CE2 TYR A 46 2.050 -10.190 -5.204 1.00 13.33 C ATOM 683 CZ TYR A 46 2.870 -9.501 -6.078 1.00 63.43 C ATOM 684 OH TYR A 46 3.867 -8.712 -5.605 1.00 72.14 O ATOM 0 H TYR A 46 -2.584 -12.894 -7.572 1.00 2.35 H new ATOM 0 HA TYR A 46 -1.639 -10.258 -7.039 1.00 64.32 H new ATOM 0 HB2 TYR A 46 -0.548 -12.672 -6.849 1.00 15.01 H new ATOM 0 HB3 TYR A 46 -0.061 -12.359 -8.503 1.00 15.01 H new ATOM 0 HD1 TYR A 46 1.530 -10.423 -8.998 1.00 3.41 H new ATOM 0 HD2 TYR A 46 0.385 -11.480 -5.025 1.00 50.23 H new ATOM 0 HE1 TYR A 46 3.330 -9.046 -8.100 1.00 13.12 H new ATOM 0 HE2 TYR A 46 2.211 -10.128 -4.138 1.00 13.33 H new ATOM 0 HH TYR A 46 4.686 -9.241 -5.511 1.00 72.14 H new ATOM 694 N GLY A 47 -2.379 -11.045 -10.086 1.00 32.34 N ATOM 695 CA GLY A 47 -2.530 -10.574 -11.428 1.00 34.12 C ATOM 696 C GLY A 47 -3.456 -9.387 -11.517 1.00 74.10 C ATOM 697 O GLY A 47 -3.489 -8.700 -12.540 1.00 71.25 O ATOM 0 H GLY A 47 -2.916 -11.887 -9.878 1.00 32.34 H new ATOM 0 HA2 GLY A 47 -1.553 -10.301 -11.827 1.00 34.12 H new ATOM 0 HA3 GLY A 47 -2.915 -11.380 -12.052 1.00 34.12 H new ATOM 701 N SER A 48 -4.229 -9.145 -10.475 1.00 31.53 N ATOM 702 CA SER A 48 -5.058 -8.003 -10.461 1.00 11.24 C ATOM 703 C SER A 48 -4.240 -6.830 -9.907 1.00 34.14 C ATOM 704 O SER A 48 -3.630 -6.928 -8.845 1.00 25.04 O ATOM 705 CB SER A 48 -6.278 -8.287 -9.613 1.00 24.22 C ATOM 706 OG SER A 48 -6.937 -9.472 -10.075 1.00 31.33 O ATOM 0 H SER A 48 -4.285 -9.732 -9.643 1.00 31.53 H new ATOM 0 HA SER A 48 -5.403 -7.748 -11.463 1.00 11.24 H new ATOM 0 HB2 SER A 48 -5.985 -8.408 -8.570 1.00 24.22 H new ATOM 0 HB3 SER A 48 -6.964 -7.441 -9.655 1.00 24.22 H new ATOM 0 HG SER A 48 -7.101 -10.072 -9.317 1.00 31.33 H new ATOM 712 N THR A 49 -4.214 -5.753 -10.631 1.00 54.41 N ATOM 713 CA THR A 49 -3.414 -4.620 -10.250 1.00 64.34 C ATOM 714 C THR A 49 -4.312 -3.521 -9.707 1.00 42.45 C ATOM 715 O THR A 49 -5.538 -3.686 -9.683 1.00 22.54 O ATOM 716 CB THR A 49 -2.573 -4.098 -11.430 1.00 74.15 C ATOM 717 OG1 THR A 49 -3.424 -3.651 -12.496 1.00 64.23 O ATOM 718 CG2 THR A 49 -1.659 -5.193 -11.953 1.00 32.32 C ATOM 0 H THR A 49 -4.740 -5.631 -11.496 1.00 54.41 H new ATOM 0 HA THR A 49 -2.720 -4.937 -9.472 1.00 64.34 H new ATOM 0 HB THR A 49 -1.973 -3.262 -11.072 1.00 74.15 H new ATOM 0 HG1 THR A 49 -4.016 -4.382 -12.771 1.00 64.23 H new ATOM 0 HG21 THR A 49 -1.071 -4.809 -12.787 1.00 32.32 H new ATOM 0 HG22 THR A 49 -0.990 -5.519 -11.157 1.00 32.32 H new ATOM 0 HG23 THR A 49 -2.259 -6.037 -12.291 1.00 32.32 H new ATOM 726 N ALA A 50 -3.731 -2.406 -9.281 1.00 1.11 N ATOM 727 CA ALA A 50 -4.492 -1.296 -8.735 1.00 31.11 C ATOM 728 C ALA A 50 -5.467 -0.766 -9.793 1.00 41.23 C ATOM 729 O ALA A 50 -6.646 -0.551 -9.514 1.00 45.23 O ATOM 730 CB ALA A 50 -3.517 -0.214 -8.282 1.00 43.03 C ATOM 0 H ALA A 50 -2.723 -2.249 -9.305 1.00 1.11 H new ATOM 0 HA ALA A 50 -5.080 -1.620 -7.877 1.00 31.11 H new ATOM 0 HB1 ALA A 50 -4.073 0.627 -7.869 1.00 43.03 H new ATOM 0 HB2 ALA A 50 -2.853 -0.619 -7.519 1.00 43.03 H new ATOM 0 HB3 ALA A 50 -2.927 0.124 -9.134 1.00 43.03 H new ATOM 736 N GLN A 51 -4.957 -0.589 -11.005 1.00 35.45 N ATOM 737 CA GLN A 51 -5.762 -0.176 -12.157 1.00 11.40 C ATOM 738 C GLN A 51 -6.917 -1.183 -12.430 1.00 72.12 C ATOM 739 O GLN A 51 -8.020 -0.787 -12.801 1.00 73.14 O ATOM 740 CB GLN A 51 -4.832 -0.020 -13.381 1.00 24.33 C ATOM 741 CG GLN A 51 -5.507 0.341 -14.703 1.00 53.31 C ATOM 742 CD GLN A 51 -6.262 1.654 -14.658 1.00 72.34 C ATOM 743 OE1 GLN A 51 -7.443 1.691 -14.348 1.00 63.04 O ATOM 744 NE2 GLN A 51 -5.591 2.732 -14.968 1.00 20.24 N ATOM 0 H GLN A 51 -3.970 -0.727 -11.222 1.00 35.45 H new ATOM 0 HA GLN A 51 -6.236 0.783 -11.947 1.00 11.40 H new ATOM 0 HB2 GLN A 51 -4.093 0.748 -13.153 1.00 24.33 H new ATOM 0 HB3 GLN A 51 -4.288 -0.955 -13.519 1.00 24.33 H new ATOM 0 HG2 GLN A 51 -4.750 0.393 -15.486 1.00 53.31 H new ATOM 0 HG3 GLN A 51 -6.197 -0.456 -14.979 1.00 53.31 H new ATOM 0 HE21 GLN A 51 -4.606 2.664 -15.222 1.00 20.24 H new ATOM 0 HE22 GLN A 51 -6.053 3.641 -14.956 1.00 20.24 H new ATOM 753 N ASP A 52 -6.665 -2.476 -12.221 1.00 4.52 N ATOM 754 CA ASP A 52 -7.739 -3.493 -12.380 1.00 21.20 C ATOM 755 C ASP A 52 -8.792 -3.321 -11.310 1.00 51.21 C ATOM 756 O ASP A 52 -9.997 -3.406 -11.577 1.00 62.14 O ATOM 757 CB ASP A 52 -7.226 -4.943 -12.318 1.00 54.10 C ATOM 758 CG ASP A 52 -6.335 -5.337 -13.455 1.00 1.24 C ATOM 759 OD1 ASP A 52 -6.838 -5.642 -14.530 1.00 11.43 O ATOM 760 OD2 ASP A 52 -5.131 -5.362 -13.282 1.00 22.15 O ATOM 0 H ASP A 52 -5.756 -2.850 -11.948 1.00 4.52 H new ATOM 0 HA ASP A 52 -8.155 -3.325 -13.373 1.00 21.20 H new ATOM 0 HB2 ASP A 52 -6.684 -5.083 -11.383 1.00 54.10 H new ATOM 0 HB3 ASP A 52 -8.082 -5.617 -12.294 1.00 54.10 H new ATOM 765 N LEU A 53 -8.330 -3.044 -10.110 1.00 33.23 N ATOM 766 CA LEU A 53 -9.196 -2.893 -8.965 1.00 21.32 C ATOM 767 C LEU A 53 -10.081 -1.686 -9.092 1.00 43.44 C ATOM 768 O LEU A 53 -11.306 -1.792 -8.890 1.00 1.22 O ATOM 769 CB LEU A 53 -8.361 -2.826 -7.689 1.00 31.35 C ATOM 770 CG LEU A 53 -7.769 -4.148 -7.235 1.00 21.31 C ATOM 771 CD1 LEU A 53 -6.722 -3.912 -6.163 1.00 50.11 C ATOM 772 CD2 LEU A 53 -8.887 -5.013 -6.674 1.00 60.24 C ATOM 0 H LEU A 53 -7.339 -2.917 -9.902 1.00 33.23 H new ATOM 0 HA LEU A 53 -9.850 -3.764 -8.916 1.00 21.32 H new ATOM 0 HB2 LEU A 53 -7.549 -2.116 -7.842 1.00 31.35 H new ATOM 0 HB3 LEU A 53 -8.984 -2.430 -6.887 1.00 31.35 H new ATOM 0 HG LEU A 53 -7.295 -4.646 -8.081 1.00 21.31 H new ATOM 0 HD11 LEU A 53 -6.305 -4.868 -5.845 1.00 50.11 H new ATOM 0 HD12 LEU A 53 -5.926 -3.284 -6.563 1.00 50.11 H new ATOM 0 HD13 LEU A 53 -7.182 -3.415 -5.309 1.00 50.11 H new ATOM 0 HD21 LEU A 53 -8.477 -5.967 -6.343 1.00 60.24 H new ATOM 0 HD22 LEU A 53 -9.351 -4.505 -5.829 1.00 60.24 H new ATOM 0 HD23 LEU A 53 -9.635 -5.188 -7.447 1.00 60.24 H new ATOM 784 N GLU A 54 -9.504 -0.548 -9.448 1.00 55.14 N ATOM 785 CA GLU A 54 -10.291 0.634 -9.638 1.00 13.42 C ATOM 786 C GLU A 54 -11.319 0.501 -10.704 1.00 53.31 C ATOM 787 O GLU A 54 -12.423 0.853 -10.476 1.00 34.45 O ATOM 788 CB GLU A 54 -9.480 1.886 -9.833 1.00 34.05 C ATOM 789 CG GLU A 54 -8.702 2.292 -8.617 1.00 31.34 C ATOM 790 CD GLU A 54 -8.176 3.662 -8.760 1.00 55.31 C ATOM 791 OE1 GLU A 54 -8.967 4.627 -8.595 1.00 11.12 O ATOM 792 OE2 GLU A 54 -7.005 3.823 -9.060 1.00 40.04 O ATOM 0 H GLU A 54 -8.503 -0.430 -9.607 1.00 55.14 H new ATOM 0 HA GLU A 54 -10.818 0.743 -8.690 1.00 13.42 H new ATOM 0 HB2 GLU A 54 -8.789 1.736 -10.663 1.00 34.05 H new ATOM 0 HB3 GLU A 54 -10.147 2.700 -10.116 1.00 34.05 H new ATOM 0 HG2 GLU A 54 -9.341 2.234 -7.736 1.00 31.34 H new ATOM 0 HG3 GLU A 54 -7.878 1.597 -8.459 1.00 31.34 H new ATOM 799 N ALA A 55 -10.964 -0.028 -11.853 1.00 4.31 N ATOM 800 CA ALA A 55 -11.938 -0.168 -12.937 1.00 4.45 C ATOM 801 C ALA A 55 -13.178 -0.956 -12.481 1.00 32.12 C ATOM 802 O ALA A 55 -14.353 -0.497 -12.633 1.00 52.25 O ATOM 803 CB ALA A 55 -11.300 -0.835 -14.147 1.00 12.33 C ATOM 0 H ALA A 55 -10.026 -0.367 -12.070 1.00 4.31 H new ATOM 0 HA ALA A 55 -12.264 0.833 -13.220 1.00 4.45 H new ATOM 0 HB1 ALA A 55 -12.040 -0.930 -14.942 1.00 12.33 H new ATOM 0 HB2 ALA A 55 -10.465 -0.229 -14.499 1.00 12.33 H new ATOM 0 HB3 ALA A 55 -10.938 -1.824 -13.868 1.00 12.33 H new ATOM 809 N HIS A 56 -12.916 -2.078 -11.834 1.00 32.11 N ATOM 810 CA HIS A 56 -13.955 -2.965 -11.362 1.00 44.14 C ATOM 811 C HIS A 56 -14.822 -2.265 -10.296 1.00 44.03 C ATOM 812 O HIS A 56 -16.045 -2.372 -10.317 1.00 63.55 O ATOM 813 CB HIS A 56 -13.327 -4.268 -10.814 1.00 45.23 C ATOM 814 CG HIS A 56 -14.311 -5.362 -10.477 1.00 43.03 C ATOM 815 ND1 HIS A 56 -14.635 -6.372 -11.345 1.00 23.13 N ATOM 816 CD2 HIS A 56 -15.019 -5.609 -9.357 1.00 24.34 C ATOM 817 CE1 HIS A 56 -15.493 -7.187 -10.784 1.00 2.52 C ATOM 818 NE2 HIS A 56 -15.750 -6.753 -9.577 1.00 74.01 N ATOM 0 H HIS A 56 -11.971 -2.397 -11.622 1.00 32.11 H new ATOM 0 HA HIS A 56 -14.607 -3.226 -12.195 1.00 44.14 H new ATOM 0 HB2 HIS A 56 -12.621 -4.650 -11.551 1.00 45.23 H new ATOM 0 HB3 HIS A 56 -12.754 -4.028 -9.918 1.00 45.23 H new ATOM 0 HD1 HIS A 56 -14.263 -6.474 -12.289 1.00 23.13 H new ATOM 0 HD2 HIS A 56 -15.013 -5.018 -8.453 1.00 24.34 H new ATOM 0 HE1 HIS A 56 -15.917 -8.069 -11.241 1.00 2.52 H new ATOM 827 N PHE A 57 -14.184 -1.547 -9.378 1.00 13.13 N ATOM 828 CA PHE A 57 -14.895 -0.832 -8.320 1.00 13.50 C ATOM 829 C PHE A 57 -15.455 0.518 -8.728 1.00 25.31 C ATOM 830 O PHE A 57 -16.389 1.019 -8.114 1.00 0.41 O ATOM 831 CB PHE A 57 -14.118 -0.773 -7.021 1.00 63.01 C ATOM 832 CG PHE A 57 -14.160 -2.071 -6.296 1.00 42.43 C ATOM 833 CD1 PHE A 57 -15.281 -2.404 -5.581 1.00 2.30 C ATOM 834 CD2 PHE A 57 -13.113 -2.960 -6.340 1.00 51.43 C ATOM 835 CE1 PHE A 57 -15.362 -3.599 -4.914 1.00 43.04 C ATOM 836 CE2 PHE A 57 -13.189 -4.161 -5.677 1.00 54.02 C ATOM 837 CZ PHE A 57 -14.315 -4.474 -4.964 1.00 22.54 C ATOM 0 H PHE A 57 -13.170 -1.443 -9.344 1.00 13.13 H new ATOM 0 HA PHE A 57 -15.776 -1.446 -8.131 1.00 13.50 H new ATOM 0 HB2 PHE A 57 -13.082 -0.505 -7.228 1.00 63.01 H new ATOM 0 HB3 PHE A 57 -14.529 0.012 -6.386 1.00 63.01 H new ATOM 0 HD1 PHE A 57 -16.112 -1.715 -5.543 1.00 2.30 H new ATOM 0 HD2 PHE A 57 -12.223 -2.713 -6.900 1.00 51.43 H new ATOM 0 HE1 PHE A 57 -16.250 -3.847 -4.352 1.00 43.04 H new ATOM 0 HE2 PHE A 57 -12.363 -4.856 -5.718 1.00 54.02 H new ATOM 0 HZ PHE A 57 -14.375 -5.416 -4.439 1.00 22.54 H new ATOM 847 N SER A 58 -14.892 1.092 -9.765 1.00 53.42 N ATOM 848 CA SER A 58 -15.291 2.403 -10.244 1.00 32.15 C ATOM 849 C SER A 58 -16.686 2.327 -10.792 1.00 3.33 C ATOM 850 O SER A 58 -17.416 3.322 -10.798 1.00 44.33 O ATOM 851 CB SER A 58 -14.313 2.941 -11.310 1.00 41.40 C ATOM 852 OG SER A 58 -14.663 4.253 -11.740 1.00 32.43 O ATOM 0 H SER A 58 -14.140 0.664 -10.306 1.00 53.42 H new ATOM 0 HA SER A 58 -15.267 3.101 -9.407 1.00 32.15 H new ATOM 0 HB2 SER A 58 -13.302 2.950 -10.903 1.00 41.40 H new ATOM 0 HB3 SER A 58 -14.305 2.268 -12.168 1.00 41.40 H new ATOM 0 HG SER A 58 -14.020 4.559 -12.413 1.00 32.43 H new ATOM 858 N SER A 59 -17.075 1.146 -11.261 1.00 53.31 N ATOM 859 CA SER A 59 -18.439 0.938 -11.683 1.00 71.40 C ATOM 860 C SER A 59 -19.435 1.206 -10.510 1.00 5.14 C ATOM 861 O SER A 59 -20.597 1.534 -10.731 1.00 52.33 O ATOM 862 CB SER A 59 -18.582 -0.488 -12.196 1.00 45.11 C ATOM 863 OG SER A 59 -17.631 -0.743 -13.233 1.00 21.45 O ATOM 0 H SER A 59 -16.467 0.332 -11.355 1.00 53.31 H new ATOM 0 HA SER A 59 -18.681 1.640 -12.481 1.00 71.40 H new ATOM 0 HB2 SER A 59 -18.434 -1.192 -11.377 1.00 45.11 H new ATOM 0 HB3 SER A 59 -19.592 -0.646 -12.574 1.00 45.11 H new ATOM 0 HG SER A 59 -17.734 -1.664 -13.552 1.00 21.45 H new ATOM 869 N CYS A 60 -18.966 1.067 -9.276 1.00 1.23 N ATOM 870 CA CYS A 60 -19.801 1.286 -8.104 1.00 32.21 C ATOM 871 C CYS A 60 -19.679 2.704 -7.506 1.00 50.51 C ATOM 872 O CYS A 60 -20.262 2.977 -6.455 1.00 33.35 O ATOM 873 CB CYS A 60 -19.476 0.241 -7.050 1.00 63.44 C ATOM 874 SG CYS A 60 -19.730 -1.442 -7.628 1.00 54.14 S ATOM 0 H CYS A 60 -18.005 0.802 -9.062 1.00 1.23 H new ATOM 0 HA CYS A 60 -20.836 1.190 -8.433 1.00 32.21 H new ATOM 0 HB2 CYS A 60 -18.439 0.359 -6.737 1.00 63.44 H new ATOM 0 HB3 CYS A 60 -20.096 0.415 -6.171 1.00 63.44 H new ATOM 0 HG CYS A 60 -18.939 -2.247 -6.982 1.00 54.14 H new ATOM 880 N GLY A 61 -18.971 3.603 -8.173 1.00 60.00 N ATOM 881 CA GLY A 61 -18.863 4.950 -7.625 1.00 35.03 C ATOM 882 C GLY A 61 -17.529 5.627 -7.847 1.00 35.42 C ATOM 883 O GLY A 61 -16.863 5.404 -8.866 1.00 12.24 O ATOM 0 H GLY A 61 -18.483 3.440 -9.054 1.00 60.00 H new ATOM 0 HA2 GLY A 61 -19.645 5.569 -8.066 1.00 35.03 H new ATOM 0 HA3 GLY A 61 -19.057 4.906 -6.553 1.00 35.03 H new ATOM 887 N SER A 62 -17.136 6.449 -6.898 1.00 23.02 N ATOM 888 CA SER A 62 -15.932 7.236 -7.001 1.00 62.50 C ATOM 889 C SER A 62 -14.880 6.790 -5.982 1.00 4.32 C ATOM 890 O SER A 62 -15.135 6.761 -4.779 1.00 60.02 O ATOM 891 CB SER A 62 -16.289 8.712 -6.805 1.00 31.42 C ATOM 892 OG SER A 62 -16.985 8.907 -5.576 1.00 24.13 O ATOM 0 H SER A 62 -17.649 6.589 -6.028 1.00 23.02 H new ATOM 0 HA SER A 62 -15.497 7.091 -7.990 1.00 62.50 H new ATOM 0 HB2 SER A 62 -15.381 9.314 -6.813 1.00 31.42 H new ATOM 0 HB3 SER A 62 -16.906 9.055 -7.636 1.00 31.42 H new ATOM 0 HG SER A 62 -17.876 9.273 -5.759 1.00 24.13 H new ATOM 898 N ILE A 63 -13.719 6.429 -6.466 1.00 54.43 N ATOM 899 CA ILE A 63 -12.638 5.985 -5.612 1.00 3.11 C ATOM 900 C ILE A 63 -11.753 7.152 -5.149 1.00 3.34 C ATOM 901 O ILE A 63 -11.334 7.992 -5.948 1.00 21.34 O ATOM 902 CB ILE A 63 -11.810 4.889 -6.313 1.00 70.25 C ATOM 903 CG1 ILE A 63 -12.716 3.672 -6.584 1.00 71.34 C ATOM 904 CG2 ILE A 63 -10.550 4.527 -5.530 1.00 35.14 C ATOM 905 CD1 ILE A 63 -12.038 2.506 -7.244 1.00 44.34 C ATOM 0 H ILE A 63 -13.493 6.433 -7.461 1.00 54.43 H new ATOM 0 HA ILE A 63 -13.081 5.555 -4.714 1.00 3.11 H new ATOM 0 HB ILE A 63 -11.448 5.270 -7.268 1.00 70.25 H new ATOM 0 HG12 ILE A 63 -13.141 3.337 -5.638 1.00 71.34 H new ATOM 0 HG13 ILE A 63 -13.548 3.991 -7.212 1.00 71.34 H new ATOM 0 HG21 ILE A 63 -10.000 3.751 -6.063 1.00 35.14 H new ATOM 0 HG22 ILE A 63 -9.921 5.411 -5.425 1.00 35.14 H new ATOM 0 HG23 ILE A 63 -10.828 4.160 -4.542 1.00 35.14 H new ATOM 0 HD11 ILE A 63 -12.759 1.702 -7.391 1.00 44.34 H new ATOM 0 HD12 ILE A 63 -11.638 2.816 -8.209 1.00 44.34 H new ATOM 0 HD13 ILE A 63 -11.224 2.152 -6.611 1.00 44.34 H new ATOM 917 N ASN A 64 -11.517 7.193 -3.854 1.00 70.53 N ATOM 918 CA ASN A 64 -10.691 8.217 -3.212 1.00 61.44 C ATOM 919 C ASN A 64 -9.253 7.712 -3.120 1.00 22.42 C ATOM 920 O ASN A 64 -8.316 8.379 -3.531 1.00 61.14 O ATOM 921 CB ASN A 64 -11.226 8.484 -1.789 1.00 35.20 C ATOM 922 CG ASN A 64 -10.571 9.666 -1.069 1.00 41.44 C ATOM 923 OD1 ASN A 64 -9.435 10.031 -1.320 1.00 22.12 O ATOM 924 ND2 ASN A 64 -11.296 10.257 -0.148 1.00 11.04 N ATOM 0 H ASN A 64 -11.896 6.508 -3.200 1.00 70.53 H new ATOM 0 HA ASN A 64 -10.724 9.137 -3.795 1.00 61.44 H new ATOM 0 HB2 ASN A 64 -12.300 8.662 -1.847 1.00 35.20 H new ATOM 0 HB3 ASN A 64 -11.083 7.586 -1.188 1.00 35.20 H new ATOM 0 HD21 ASN A 64 -10.912 11.042 0.378 1.00 11.04 H new ATOM 0 HD22 ASN A 64 -12.244 9.931 0.042 1.00 11.04 H new ATOM 931 N ARG A 65 -9.105 6.502 -2.632 1.00 22.12 N ATOM 932 CA ARG A 65 -7.794 5.889 -2.401 1.00 62.53 C ATOM 933 C ARG A 65 -7.953 4.391 -2.423 1.00 0.11 C ATOM 934 O ARG A 65 -9.058 3.895 -2.307 1.00 34.44 O ATOM 935 CB ARG A 65 -7.158 6.308 -1.031 1.00 30.12 C ATOM 936 CG ARG A 65 -6.892 7.807 -0.853 1.00 42.32 C ATOM 937 CD ARG A 65 -6.104 8.113 0.428 1.00 12.51 C ATOM 938 NE ARG A 65 -6.823 7.736 1.623 1.00 64.31 N ATOM 939 CZ ARG A 65 -6.311 7.659 2.857 1.00 74.41 C ATOM 940 NH1 ARG A 65 -5.063 8.092 3.115 1.00 53.44 N ATOM 941 NH2 ARG A 65 -7.059 7.186 3.831 1.00 21.35 N ATOM 0 H ARG A 65 -9.890 5.902 -2.379 1.00 22.12 H new ATOM 0 HA ARG A 65 -7.126 6.236 -3.190 1.00 62.53 H new ATOM 0 HB2 ARG A 65 -7.817 5.977 -0.229 1.00 30.12 H new ATOM 0 HB3 ARG A 65 -6.216 5.774 -0.910 1.00 30.12 H new ATOM 0 HG2 ARG A 65 -6.338 8.180 -1.715 1.00 42.32 H new ATOM 0 HG3 ARG A 65 -7.842 8.341 -0.829 1.00 42.32 H new ATOM 0 HD2 ARG A 65 -5.151 7.585 0.399 1.00 12.51 H new ATOM 0 HD3 ARG A 65 -5.877 9.178 0.465 1.00 12.51 H new ATOM 0 HE ARG A 65 -7.811 7.508 1.516 1.00 64.31 H new ATOM 0 HH11 ARG A 65 -4.494 8.485 2.365 1.00 53.44 H new ATOM 0 HH12 ARG A 65 -4.686 8.027 4.061 1.00 53.44 H new ATOM 0 HH21 ARG A 65 -8.014 6.884 3.640 1.00 21.35 H new ATOM 0 HH22 ARG A 65 -6.683 7.121 4.777 1.00 21.35 H new ATOM 955 N ILE A 66 -6.873 3.668 -2.560 1.00 54.30 N ATOM 956 CA ILE A 66 -6.931 2.216 -2.508 1.00 45.23 C ATOM 957 C ILE A 66 -5.676 1.695 -1.873 1.00 54.30 C ATOM 958 O ILE A 66 -4.607 2.275 -2.032 1.00 43.34 O ATOM 959 CB ILE A 66 -7.181 1.468 -3.876 1.00 64.11 C ATOM 960 CG1 ILE A 66 -6.037 1.627 -4.859 1.00 12.12 C ATOM 961 CG2 ILE A 66 -8.486 1.887 -4.525 1.00 52.14 C ATOM 962 CD1 ILE A 66 -6.265 0.854 -6.140 1.00 5.53 C ATOM 0 H ILE A 66 -5.940 4.052 -2.709 1.00 54.30 H new ATOM 0 HA ILE A 66 -7.819 1.996 -1.916 1.00 45.23 H new ATOM 0 HB ILE A 66 -7.245 0.411 -3.617 1.00 64.11 H new ATOM 0 HG12 ILE A 66 -5.907 2.684 -5.094 1.00 12.12 H new ATOM 0 HG13 ILE A 66 -5.112 1.288 -4.393 1.00 12.12 H new ATOM 0 HG21 ILE A 66 -8.616 1.347 -5.463 1.00 52.14 H new ATOM 0 HG22 ILE A 66 -9.315 1.657 -3.856 1.00 52.14 H new ATOM 0 HG23 ILE A 66 -8.466 2.959 -4.723 1.00 52.14 H new ATOM 0 HD11 ILE A 66 -5.418 1.001 -6.810 1.00 5.53 H new ATOM 0 HD12 ILE A 66 -6.367 -0.207 -5.912 1.00 5.53 H new ATOM 0 HD13 ILE A 66 -7.175 1.210 -6.623 1.00 5.53 H new ATOM 974 N THR A 67 -5.810 0.654 -1.136 1.00 75.12 N ATOM 975 CA THR A 67 -4.714 0.023 -0.469 1.00 3.32 C ATOM 976 C THR A 67 -4.720 -1.441 -0.874 1.00 33.53 C ATOM 977 O THR A 67 -5.734 -2.095 -0.738 1.00 5.40 O ATOM 978 CB THR A 67 -4.879 0.151 1.059 1.00 71.04 C ATOM 979 OG1 THR A 67 -5.006 1.537 1.402 1.00 34.03 O ATOM 980 CG2 THR A 67 -3.684 -0.440 1.792 1.00 13.11 C ATOM 0 H THR A 67 -6.708 0.199 -0.971 1.00 75.12 H new ATOM 0 HA THR A 67 -3.771 0.495 -0.746 1.00 3.32 H new ATOM 0 HB THR A 67 -5.771 -0.399 1.358 1.00 71.04 H new ATOM 0 HG1 THR A 67 -5.113 1.625 2.372 1.00 34.03 H new ATOM 0 HG21 THR A 67 -3.829 -0.335 2.867 1.00 13.11 H new ATOM 0 HG22 THR A 67 -3.588 -1.496 1.540 1.00 13.11 H new ATOM 0 HG23 THR A 67 -2.778 0.087 1.495 1.00 13.11 H new ATOM 988 N ILE A 68 -3.625 -1.946 -1.373 1.00 4.34 N ATOM 989 CA ILE A 68 -3.578 -3.318 -1.810 1.00 24.25 C ATOM 990 C ILE A 68 -2.476 -3.991 -1.038 1.00 23.52 C ATOM 991 O ILE A 68 -1.352 -3.519 -1.056 1.00 33.13 O ATOM 992 CB ILE A 68 -3.228 -3.498 -3.341 1.00 71.32 C ATOM 993 CG1 ILE A 68 -3.998 -2.542 -4.273 1.00 41.40 C ATOM 994 CG2 ILE A 68 -3.467 -4.937 -3.781 1.00 3.22 C ATOM 995 CD1 ILE A 68 -3.389 -1.161 -4.382 1.00 61.35 C ATOM 0 H ILE A 68 -2.753 -1.430 -1.488 1.00 4.34 H new ATOM 0 HA ILE A 68 -4.570 -3.739 -1.646 1.00 24.25 H new ATOM 0 HB ILE A 68 -2.172 -3.245 -3.431 1.00 71.32 H new ATOM 0 HG12 ILE A 68 -4.049 -2.984 -5.268 1.00 41.40 H new ATOM 0 HG13 ILE A 68 -5.023 -2.448 -3.913 1.00 41.40 H new ATOM 0 HG21 ILE A 68 -3.220 -5.040 -4.838 1.00 3.22 H new ATOM 0 HG22 ILE A 68 -2.838 -5.606 -3.194 1.00 3.22 H new ATOM 0 HG23 ILE A 68 -4.514 -5.196 -3.626 1.00 3.22 H new ATOM 0 HD11 ILE A 68 -3.990 -0.550 -5.056 1.00 61.35 H new ATOM 0 HD12 ILE A 68 -3.363 -0.696 -3.397 1.00 61.35 H new ATOM 0 HD13 ILE A 68 -2.374 -1.241 -4.772 1.00 61.35 H new ATOM 1007 N LEU A 69 -2.778 -5.034 -0.337 1.00 23.14 N ATOM 1008 CA LEU A 69 -1.750 -5.764 0.353 1.00 31.33 C ATOM 1009 C LEU A 69 -1.687 -7.202 -0.091 1.00 53.21 C ATOM 1010 O LEU A 69 -2.701 -7.906 -0.135 1.00 53.21 O ATOM 1011 CB LEU A 69 -1.710 -5.589 1.902 1.00 55.52 C ATOM 1012 CG LEU A 69 -2.967 -5.872 2.745 1.00 24.32 C ATOM 1013 CD1 LEU A 69 -2.585 -5.861 4.218 1.00 71.03 C ATOM 1014 CD2 LEU A 69 -4.051 -4.829 2.502 1.00 20.02 C ATOM 0 H LEU A 69 -3.722 -5.404 -0.223 1.00 23.14 H new ATOM 0 HA LEU A 69 -0.822 -5.285 0.040 1.00 31.33 H new ATOM 0 HB2 LEU A 69 -0.916 -6.233 2.280 1.00 55.52 H new ATOM 0 HB3 LEU A 69 -1.410 -4.561 2.104 1.00 55.52 H new ATOM 0 HG LEU A 69 -3.363 -6.845 2.455 1.00 24.32 H new ATOM 0 HD11 LEU A 69 -3.468 -6.060 4.824 1.00 71.03 H new ATOM 0 HD12 LEU A 69 -1.835 -6.630 4.405 1.00 71.03 H new ATOM 0 HD13 LEU A 69 -2.177 -4.885 4.481 1.00 71.03 H new ATOM 0 HD21 LEU A 69 -4.923 -5.061 3.114 1.00 20.02 H new ATOM 0 HD22 LEU A 69 -3.673 -3.842 2.769 1.00 20.02 H new ATOM 0 HD23 LEU A 69 -4.334 -4.837 1.449 1.00 20.02 H new ATOM 1026 N CYS A 70 -0.521 -7.630 -0.448 1.00 21.12 N ATOM 1027 CA CYS A 70 -0.302 -8.976 -0.886 1.00 24.13 C ATOM 1028 C CYS A 70 0.586 -9.644 0.128 1.00 55.31 C ATOM 1029 O CYS A 70 1.659 -9.107 0.460 1.00 51.35 O ATOM 1030 CB CYS A 70 0.373 -8.961 -2.254 1.00 3.24 C ATOM 1031 SG CYS A 70 -0.549 -8.051 -3.515 1.00 72.45 S ATOM 0 H CYS A 70 0.319 -7.051 -0.445 1.00 21.12 H new ATOM 0 HA CYS A 70 -1.244 -9.517 -0.975 1.00 24.13 H new ATOM 0 HB2 CYS A 70 1.365 -8.520 -2.154 1.00 3.24 H new ATOM 0 HB3 CYS A 70 0.513 -9.988 -2.591 1.00 3.24 H new ATOM 0 HG CYS A 70 0.100 -8.091 -4.641 1.00 72.45 H new ATOM 1037 N ASP A 71 0.166 -10.764 0.664 1.00 22.54 N ATOM 1038 CA ASP A 71 0.975 -11.384 1.678 1.00 55.24 C ATOM 1039 C ASP A 71 1.594 -12.663 1.199 1.00 33.42 C ATOM 1040 O ASP A 71 0.941 -13.497 0.610 1.00 43.04 O ATOM 1041 CB ASP A 71 0.212 -11.627 3.020 1.00 10.23 C ATOM 1042 CG ASP A 71 -0.767 -12.795 3.022 1.00 30.11 C ATOM 1043 OD1 ASP A 71 -1.967 -12.602 2.689 1.00 42.51 O ATOM 1044 OD2 ASP A 71 -0.347 -13.922 3.395 1.00 32.22 O ATOM 0 H ASP A 71 -0.699 -11.249 0.425 1.00 22.54 H new ATOM 0 HA ASP A 71 1.769 -10.666 1.884 1.00 55.24 H new ATOM 0 HB2 ASP A 71 0.946 -11.791 3.809 1.00 10.23 H new ATOM 0 HB3 ASP A 71 -0.334 -10.719 3.276 1.00 10.23 H new ATOM 1049 N LYS A 72 2.874 -12.778 1.407 1.00 23.41 N ATOM 1050 CA LYS A 72 3.583 -14.012 1.188 1.00 4.35 C ATOM 1051 C LYS A 72 3.927 -14.576 2.535 1.00 31.40 C ATOM 1052 O LYS A 72 4.732 -15.501 2.671 1.00 14.22 O ATOM 1053 CB LYS A 72 4.838 -13.805 0.349 1.00 42.35 C ATOM 1054 CG LYS A 72 4.555 -13.427 -1.078 1.00 15.33 C ATOM 1055 CD LYS A 72 5.830 -13.238 -1.857 1.00 70.24 C ATOM 1056 CE LYS A 72 5.533 -13.007 -3.318 1.00 31.15 C ATOM 1057 NZ LYS A 72 6.753 -12.762 -4.094 1.00 72.41 N ATOM 0 H LYS A 72 3.463 -12.013 1.736 1.00 23.41 H new ATOM 0 HA LYS A 72 2.954 -14.704 0.628 1.00 4.35 H new ATOM 0 HB2 LYS A 72 5.447 -13.026 0.808 1.00 42.35 H new ATOM 0 HB3 LYS A 72 5.429 -14.721 0.363 1.00 42.35 H new ATOM 0 HG2 LYS A 72 3.950 -14.202 -1.549 1.00 15.33 H new ATOM 0 HG3 LYS A 72 3.971 -12.507 -1.104 1.00 15.33 H new ATOM 0 HD2 LYS A 72 6.385 -12.390 -1.455 1.00 70.24 H new ATOM 0 HD3 LYS A 72 6.465 -14.117 -1.744 1.00 70.24 H new ATOM 0 HE2 LYS A 72 5.013 -13.875 -3.724 1.00 31.15 H new ATOM 0 HE3 LYS A 72 4.860 -12.155 -3.421 1.00 31.15 H new ATOM 0 HZ1 LYS A 72 6.499 -12.508 -5.070 1.00 72.41 H new ATOM 0 HZ2 LYS A 72 7.289 -11.982 -3.662 1.00 72.41 H new ATOM 0 HZ3 LYS A 72 7.338 -13.622 -4.101 1.00 72.41 H new ATOM 1071 N PHE A 73 3.289 -13.993 3.541 1.00 43.10 N ATOM 1072 CA PHE A 73 3.397 -14.407 4.915 1.00 53.44 C ATOM 1073 C PHE A 73 2.894 -15.831 5.029 1.00 34.54 C ATOM 1074 O PHE A 73 3.429 -16.641 5.790 1.00 40.44 O ATOM 1075 CB PHE A 73 2.552 -13.464 5.790 1.00 20.41 C ATOM 1076 CG PHE A 73 2.638 -13.718 7.267 1.00 4.51 C ATOM 1077 CD1 PHE A 73 3.676 -13.183 8.009 1.00 72.14 C ATOM 1078 CD2 PHE A 73 1.678 -14.480 7.915 1.00 25.32 C ATOM 1079 CE1 PHE A 73 3.762 -13.400 9.366 1.00 23.04 C ATOM 1080 CE2 PHE A 73 1.757 -14.704 9.274 1.00 42.30 C ATOM 1081 CZ PHE A 73 2.803 -14.162 10.002 1.00 75.34 C ATOM 0 H PHE A 73 2.666 -13.196 3.409 1.00 43.10 H new ATOM 0 HA PHE A 73 4.433 -14.364 5.252 1.00 53.44 H new ATOM 0 HB2 PHE A 73 2.862 -12.437 5.595 1.00 20.41 H new ATOM 0 HB3 PHE A 73 1.509 -13.546 5.483 1.00 20.41 H new ATOM 0 HD1 PHE A 73 4.430 -12.586 7.517 1.00 72.14 H new ATOM 0 HD2 PHE A 73 0.860 -14.902 7.350 1.00 25.32 H new ATOM 0 HE1 PHE A 73 4.578 -12.975 9.931 1.00 23.04 H new ATOM 0 HE2 PHE A 73 1.005 -15.301 9.769 1.00 42.30 H new ATOM 0 HZ PHE A 73 2.868 -14.335 11.066 1.00 75.34 H new ATOM 1091 N SER A 74 1.867 -16.134 4.258 1.00 34.33 N ATOM 1092 CA SER A 74 1.303 -17.460 4.212 1.00 12.45 C ATOM 1093 C SER A 74 2.130 -18.393 3.266 1.00 51.54 C ATOM 1094 O SER A 74 1.728 -19.516 2.988 1.00 23.31 O ATOM 1095 CB SER A 74 -0.177 -17.365 3.758 1.00 55.53 C ATOM 1096 OG SER A 74 -0.848 -18.627 3.821 1.00 53.21 O ATOM 0 H SER A 74 1.403 -15.463 3.646 1.00 34.33 H new ATOM 0 HA SER A 74 1.343 -17.903 5.207 1.00 12.45 H new ATOM 0 HB2 SER A 74 -0.702 -16.646 4.387 1.00 55.53 H new ATOM 0 HB3 SER A 74 -0.218 -16.985 2.737 1.00 55.53 H new ATOM 0 HG SER A 74 -0.231 -19.339 3.552 1.00 53.21 H new ATOM 1102 N GLY A 75 3.277 -17.923 2.782 1.00 32.15 N ATOM 1103 CA GLY A 75 4.113 -18.733 1.897 1.00 12.55 C ATOM 1104 C GLY A 75 3.742 -18.528 0.447 1.00 12.21 C ATOM 1105 O GLY A 75 4.594 -18.297 -0.408 1.00 74.14 O ATOM 0 H GLY A 75 3.647 -16.994 2.985 1.00 32.15 H new ATOM 0 HA2 GLY A 75 5.161 -18.473 2.046 1.00 12.55 H new ATOM 0 HA3 GLY A 75 4.006 -19.786 2.156 1.00 12.55 H new ATOM 1109 N HIS A 76 2.469 -18.598 0.195 1.00 74.23 N ATOM 1110 CA HIS A 76 1.922 -18.365 -1.125 1.00 3.41 C ATOM 1111 C HIS A 76 1.491 -16.934 -1.166 1.00 30.23 C ATOM 1112 O HIS A 76 0.935 -16.455 -0.181 1.00 32.24 O ATOM 1113 CB HIS A 76 0.725 -19.282 -1.418 1.00 23.23 C ATOM 1114 CG HIS A 76 1.064 -20.737 -1.469 1.00 53.51 C ATOM 1115 ND1 HIS A 76 0.799 -21.615 -0.446 1.00 61.34 N ATOM 1116 CD2 HIS A 76 1.639 -21.468 -2.440 1.00 51.14 C ATOM 1117 CE1 HIS A 76 1.202 -22.818 -0.785 1.00 22.23 C ATOM 1118 NE2 HIS A 76 1.714 -22.755 -1.991 1.00 74.44 N ATOM 0 H HIS A 76 1.767 -18.820 0.901 1.00 74.23 H new ATOM 0 HA HIS A 76 2.675 -18.583 -1.882 1.00 3.41 H new ATOM 0 HB2 HIS A 76 -0.035 -19.124 -0.652 1.00 23.23 H new ATOM 0 HB3 HIS A 76 0.283 -18.990 -2.371 1.00 23.23 H new ATOM 0 HD2 HIS A 76 1.979 -21.104 -3.398 1.00 51.14 H new ATOM 0 HE1 HIS A 76 1.125 -23.706 -0.176 1.00 22.23 H new ATOM 0 HE2 HIS A 76 2.105 -23.541 -2.510 1.00 74.44 H new ATOM 1127 N PRO A 77 1.757 -16.198 -2.258 1.00 33.02 N ATOM 1128 CA PRO A 77 1.342 -14.815 -2.329 1.00 43.13 C ATOM 1129 C PRO A 77 -0.168 -14.712 -2.407 1.00 21.32 C ATOM 1130 O PRO A 77 -0.807 -15.207 -3.352 1.00 10.24 O ATOM 1131 CB PRO A 77 1.991 -14.294 -3.622 1.00 5.34 C ATOM 1132 CG PRO A 77 2.269 -15.511 -4.440 1.00 61.44 C ATOM 1133 CD PRO A 77 2.475 -16.644 -3.466 1.00 72.41 C ATOM 0 HA PRO A 77 1.641 -14.242 -1.451 1.00 43.13 H new ATOM 0 HB2 PRO A 77 1.325 -13.610 -4.148 1.00 5.34 H new ATOM 0 HB3 PRO A 77 2.908 -13.745 -3.408 1.00 5.34 H new ATOM 0 HG2 PRO A 77 1.438 -15.724 -5.113 1.00 61.44 H new ATOM 0 HG3 PRO A 77 3.153 -15.367 -5.061 1.00 61.44 H new ATOM 0 HD2 PRO A 77 2.071 -17.581 -3.850 1.00 72.41 H new ATOM 0 HD3 PRO A 77 3.533 -16.812 -3.264 1.00 72.41 H new ATOM 1141 N LYS A 78 -0.723 -14.110 -1.417 1.00 33.33 N ATOM 1142 CA LYS A 78 -2.125 -13.876 -1.313 1.00 61.43 C ATOM 1143 C LYS A 78 -2.392 -12.432 -1.600 1.00 11.25 C ATOM 1144 O LYS A 78 -1.461 -11.677 -1.879 1.00 60.51 O ATOM 1145 CB LYS A 78 -2.562 -14.178 0.114 1.00 61.41 C ATOM 1146 CG LYS A 78 -2.403 -15.623 0.564 1.00 2.03 C ATOM 1147 CD LYS A 78 -3.408 -16.543 -0.100 1.00 75.22 C ATOM 1148 CE LYS A 78 -4.847 -16.195 0.300 1.00 52.34 C ATOM 1149 NZ LYS A 78 -5.059 -16.260 1.772 1.00 41.10 N ATOM 0 H LYS A 78 -0.194 -13.751 -0.623 1.00 33.33 H new ATOM 0 HA LYS A 78 -2.668 -14.507 -2.017 1.00 61.43 H new ATOM 0 HB2 LYS A 78 -1.992 -13.542 0.791 1.00 61.41 H new ATOM 0 HB3 LYS A 78 -3.610 -13.898 0.220 1.00 61.41 H new ATOM 0 HG2 LYS A 78 -1.394 -15.964 0.335 1.00 2.03 H new ATOM 0 HG3 LYS A 78 -2.520 -15.680 1.646 1.00 2.03 H new ATOM 0 HD2 LYS A 78 -3.305 -16.474 -1.183 1.00 75.22 H new ATOM 0 HD3 LYS A 78 -3.193 -17.576 0.175 1.00 75.22 H new ATOM 0 HE2 LYS A 78 -5.087 -15.193 -0.055 1.00 52.34 H new ATOM 0 HE3 LYS A 78 -5.535 -16.882 -0.194 1.00 52.34 H new ATOM 0 HZ1 LYS A 78 -6.078 -16.236 1.977 1.00 41.10 H new ATOM 0 HZ2 LYS A 78 -4.652 -17.142 2.143 1.00 41.10 H new ATOM 0 HZ3 LYS A 78 -4.595 -15.447 2.226 1.00 41.10 H new ATOM 1163 N GLY A 79 -3.620 -12.028 -1.479 1.00 52.33 N ATOM 1164 CA GLY A 79 -3.946 -10.690 -1.782 1.00 1.33 C ATOM 1165 C GLY A 79 -5.260 -10.273 -1.214 1.00 44.10 C ATOM 1166 O GLY A 79 -6.241 -11.029 -1.237 1.00 22.34 O ATOM 0 H GLY A 79 -4.400 -12.610 -1.174 1.00 52.33 H new ATOM 0 HA2 GLY A 79 -3.165 -10.034 -1.398 1.00 1.33 H new ATOM 0 HA3 GLY A 79 -3.966 -10.562 -2.864 1.00 1.33 H new ATOM 1170 N TYR A 80 -5.268 -9.091 -0.686 1.00 13.01 N ATOM 1171 CA TYR A 80 -6.447 -8.439 -0.206 1.00 11.43 C ATOM 1172 C TYR A 80 -6.244 -6.946 -0.253 1.00 71.33 C ATOM 1173 O TYR A 80 -5.147 -6.456 -0.036 1.00 5.35 O ATOM 1174 CB TYR A 80 -6.966 -8.989 1.162 1.00 34.21 C ATOM 1175 CG TYR A 80 -5.963 -9.073 2.299 1.00 23.40 C ATOM 1176 CD1 TYR A 80 -5.001 -10.073 2.313 1.00 20.43 C ATOM 1177 CD2 TYR A 80 -5.990 -8.179 3.357 1.00 61.42 C ATOM 1178 CE1 TYR A 80 -4.091 -10.184 3.337 1.00 21.13 C ATOM 1179 CE2 TYR A 80 -5.078 -8.280 4.395 1.00 42.34 C ATOM 1180 CZ TYR A 80 -4.128 -9.289 4.375 1.00 4.52 C ATOM 1181 OH TYR A 80 -3.204 -9.389 5.396 1.00 10.42 O ATOM 0 H TYR A 80 -4.423 -8.531 -0.573 1.00 13.01 H new ATOM 0 HA TYR A 80 -7.273 -8.680 -0.876 1.00 11.43 H new ATOM 0 HB2 TYR A 80 -7.794 -8.360 1.487 1.00 34.21 H new ATOM 0 HB3 TYR A 80 -7.371 -9.987 0.994 1.00 34.21 H new ATOM 0 HD1 TYR A 80 -4.967 -10.782 1.499 1.00 20.43 H new ATOM 0 HD2 TYR A 80 -6.731 -7.394 3.373 1.00 61.42 H new ATOM 0 HE1 TYR A 80 -3.352 -10.971 3.324 1.00 21.13 H new ATOM 0 HE2 TYR A 80 -5.107 -7.577 5.214 1.00 42.34 H new ATOM 0 HH TYR A 80 -3.365 -8.680 6.053 1.00 10.42 H new ATOM 1191 N ALA A 81 -7.267 -6.239 -0.572 1.00 62.22 N ATOM 1192 CA ALA A 81 -7.179 -4.835 -0.796 1.00 44.44 C ATOM 1193 C ALA A 81 -8.320 -4.125 -0.138 1.00 4.40 C ATOM 1194 O ALA A 81 -9.370 -4.686 0.055 1.00 14.44 O ATOM 1195 CB ALA A 81 -7.181 -4.554 -2.291 1.00 14.04 C ATOM 0 H ALA A 81 -8.205 -6.622 -0.688 1.00 62.22 H new ATOM 0 HA ALA A 81 -6.249 -4.467 -0.362 1.00 44.44 H new ATOM 0 HB1 ALA A 81 -7.114 -3.479 -2.459 1.00 14.04 H new ATOM 0 HB2 ALA A 81 -6.328 -5.048 -2.755 1.00 14.04 H new ATOM 0 HB3 ALA A 81 -8.103 -4.933 -2.731 1.00 14.04 H new ATOM 1201 N TYR A 82 -8.097 -2.918 0.225 1.00 43.02 N ATOM 1202 CA TYR A 82 -9.103 -2.089 0.798 1.00 43.20 C ATOM 1203 C TYR A 82 -9.302 -0.899 -0.096 1.00 21.44 C ATOM 1204 O TYR A 82 -8.386 -0.098 -0.297 1.00 41.23 O ATOM 1205 CB TYR A 82 -8.715 -1.657 2.217 1.00 32.13 C ATOM 1206 CG TYR A 82 -8.693 -2.792 3.232 1.00 4.43 C ATOM 1207 CD1 TYR A 82 -7.711 -3.774 3.198 1.00 22.10 C ATOM 1208 CD2 TYR A 82 -9.660 -2.870 4.219 1.00 63.24 C ATOM 1209 CE1 TYR A 82 -7.697 -4.802 4.120 1.00 12.44 C ATOM 1210 CE2 TYR A 82 -9.656 -3.890 5.148 1.00 55.22 C ATOM 1211 CZ TYR A 82 -8.668 -4.855 5.096 1.00 70.03 C ATOM 1212 OH TYR A 82 -8.664 -5.883 6.012 1.00 72.10 O ATOM 0 H TYR A 82 -7.189 -2.462 0.132 1.00 43.02 H new ATOM 0 HA TYR A 82 -10.037 -2.645 0.880 1.00 43.20 H new ATOM 0 HB2 TYR A 82 -7.729 -1.193 2.186 1.00 32.13 H new ATOM 0 HB3 TYR A 82 -9.416 -0.894 2.557 1.00 32.13 H new ATOM 0 HD1 TYR A 82 -6.945 -3.733 2.437 1.00 22.10 H new ATOM 0 HD2 TYR A 82 -10.433 -2.117 4.263 1.00 63.24 H new ATOM 0 HE1 TYR A 82 -6.929 -5.560 4.076 1.00 12.44 H new ATOM 0 HE2 TYR A 82 -10.420 -3.934 5.911 1.00 55.22 H new ATOM 0 HH TYR A 82 -9.058 -5.573 6.854 1.00 72.10 H new ATOM 1222 N ILE A 83 -10.468 -0.796 -0.655 1.00 43.31 N ATOM 1223 CA ILE A 83 -10.775 0.258 -1.589 1.00 11.12 C ATOM 1224 C ILE A 83 -11.499 1.367 -0.835 1.00 51.54 C ATOM 1225 O ILE A 83 -12.511 1.114 -0.193 1.00 74.53 O ATOM 1226 CB ILE A 83 -11.700 -0.285 -2.730 1.00 62.32 C ATOM 1227 CG1 ILE A 83 -11.102 -1.554 -3.382 1.00 32.40 C ATOM 1228 CG2 ILE A 83 -11.972 0.774 -3.792 1.00 1.30 C ATOM 1229 CD1 ILE A 83 -9.744 -1.375 -4.034 1.00 21.13 C ATOM 0 H ILE A 83 -11.240 -1.439 -0.480 1.00 43.31 H new ATOM 0 HA ILE A 83 -9.855 0.636 -2.036 1.00 11.12 H new ATOM 0 HB ILE A 83 -12.651 -0.548 -2.266 1.00 62.32 H new ATOM 0 HG12 ILE A 83 -11.020 -2.329 -2.620 1.00 32.40 H new ATOM 0 HG13 ILE A 83 -11.801 -1.919 -4.134 1.00 32.40 H new ATOM 0 HG21 ILE A 83 -12.617 0.357 -4.565 1.00 1.30 H new ATOM 0 HG22 ILE A 83 -12.464 1.632 -3.333 1.00 1.30 H new ATOM 0 HG23 ILE A 83 -11.030 1.092 -4.238 1.00 1.30 H new ATOM 0 HD11 ILE A 83 -9.417 -2.324 -4.460 1.00 21.13 H new ATOM 0 HD12 ILE A 83 -9.816 -0.628 -4.825 1.00 21.13 H new ATOM 0 HD13 ILE A 83 -9.022 -1.044 -3.287 1.00 21.13 H new ATOM 1241 N GLU A 84 -10.958 2.554 -0.863 1.00 12.52 N ATOM 1242 CA GLU A 84 -11.559 3.681 -0.194 1.00 50.12 C ATOM 1243 C GLU A 84 -12.264 4.557 -1.223 1.00 12.14 C ATOM 1244 O GLU A 84 -11.647 5.049 -2.171 1.00 55.42 O ATOM 1245 CB GLU A 84 -10.473 4.482 0.529 1.00 10.44 C ATOM 1246 CG GLU A 84 -10.986 5.662 1.331 1.00 44.50 C ATOM 1247 CD GLU A 84 -9.862 6.467 1.923 1.00 44.35 C ATOM 1248 OE1 GLU A 84 -9.421 6.174 3.035 1.00 51.44 O ATOM 1249 OE2 GLU A 84 -9.396 7.386 1.270 1.00 55.14 O ATOM 0 H GLU A 84 -10.088 2.770 -1.350 1.00 12.52 H new ATOM 0 HA GLU A 84 -12.288 3.334 0.538 1.00 50.12 H new ATOM 0 HB2 GLU A 84 -9.931 3.813 1.198 1.00 10.44 H new ATOM 0 HB3 GLU A 84 -9.756 4.845 -0.208 1.00 10.44 H new ATOM 0 HG2 GLU A 84 -11.592 6.301 0.689 1.00 44.50 H new ATOM 0 HG3 GLU A 84 -11.636 5.304 2.129 1.00 44.50 H new ATOM 1256 N PHE A 85 -13.530 4.719 -1.063 1.00 61.45 N ATOM 1257 CA PHE A 85 -14.313 5.514 -1.958 1.00 40.52 C ATOM 1258 C PHE A 85 -14.505 6.909 -1.400 1.00 2.32 C ATOM 1259 O PHE A 85 -14.382 7.132 -0.208 1.00 21.33 O ATOM 1260 CB PHE A 85 -15.675 4.868 -2.200 1.00 3.54 C ATOM 1261 CG PHE A 85 -15.626 3.517 -2.864 1.00 61.41 C ATOM 1262 CD1 PHE A 85 -15.518 2.364 -2.113 1.00 44.43 C ATOM 1263 CD2 PHE A 85 -15.708 3.406 -4.243 1.00 53.15 C ATOM 1264 CE1 PHE A 85 -15.492 1.128 -2.717 1.00 73.34 C ATOM 1265 CE2 PHE A 85 -15.685 2.171 -4.852 1.00 54.24 C ATOM 1266 CZ PHE A 85 -15.576 1.032 -4.087 1.00 62.20 C ATOM 0 H PHE A 85 -14.063 4.301 -0.300 1.00 61.45 H new ATOM 0 HA PHE A 85 -13.778 5.580 -2.906 1.00 40.52 H new ATOM 0 HB2 PHE A 85 -16.189 4.769 -1.244 1.00 3.54 H new ATOM 0 HB3 PHE A 85 -16.275 5.538 -2.816 1.00 3.54 H new ATOM 0 HD1 PHE A 85 -15.453 2.433 -1.037 1.00 44.43 H new ATOM 0 HD2 PHE A 85 -15.791 4.298 -4.847 1.00 53.15 H new ATOM 0 HE1 PHE A 85 -15.406 0.234 -2.117 1.00 73.34 H new ATOM 0 HE2 PHE A 85 -15.752 2.096 -5.927 1.00 54.24 H new ATOM 0 HZ PHE A 85 -15.556 0.062 -4.562 1.00 62.20 H new ATOM 1276 N ALA A 86 -14.766 7.851 -2.275 1.00 51.54 N ATOM 1277 CA ALA A 86 -15.050 9.205 -1.857 1.00 14.15 C ATOM 1278 C ALA A 86 -16.464 9.295 -1.308 1.00 11.33 C ATOM 1279 O ALA A 86 -16.768 10.146 -0.478 1.00 4.33 O ATOM 1280 CB ALA A 86 -14.864 10.173 -3.019 1.00 21.51 C ATOM 0 H ALA A 86 -14.788 7.705 -3.284 1.00 51.54 H new ATOM 0 HA ALA A 86 -14.351 9.482 -1.068 1.00 14.15 H new ATOM 0 HB1 ALA A 86 -15.082 11.188 -2.686 1.00 21.51 H new ATOM 0 HB2 ALA A 86 -13.835 10.121 -3.375 1.00 21.51 H new ATOM 0 HB3 ALA A 86 -15.542 9.904 -3.829 1.00 21.51 H new ATOM 1286 N GLU A 87 -17.322 8.425 -1.791 1.00 54.02 N ATOM 1287 CA GLU A 87 -18.700 8.375 -1.357 1.00 51.22 C ATOM 1288 C GLU A 87 -18.980 7.089 -0.586 1.00 1.05 C ATOM 1289 O GLU A 87 -18.561 6.005 -0.993 1.00 52.21 O ATOM 1290 CB GLU A 87 -19.601 8.476 -2.574 1.00 52.42 C ATOM 1291 CG GLU A 87 -19.381 9.749 -3.360 1.00 52.04 C ATOM 1292 CD GLU A 87 -20.170 9.796 -4.626 1.00 11.45 C ATOM 1293 OE1 GLU A 87 -21.361 10.147 -4.579 1.00 51.00 O ATOM 1294 OE2 GLU A 87 -19.601 9.506 -5.700 1.00 31.41 O ATOM 0 H GLU A 87 -17.083 7.730 -2.498 1.00 54.02 H new ATOM 0 HA GLU A 87 -18.898 9.210 -0.685 1.00 51.22 H new ATOM 0 HB2 GLU A 87 -19.425 7.618 -3.223 1.00 52.42 H new ATOM 0 HB3 GLU A 87 -20.642 8.426 -2.255 1.00 52.42 H new ATOM 0 HG2 GLU A 87 -19.649 10.604 -2.739 1.00 52.04 H new ATOM 0 HG3 GLU A 87 -18.321 9.846 -3.595 1.00 52.04 H new ATOM 1301 N ARG A 88 -19.706 7.210 0.515 1.00 43.52 N ATOM 1302 CA ARG A 88 -20.038 6.069 1.373 1.00 22.01 C ATOM 1303 C ARG A 88 -21.033 5.176 0.606 1.00 1.42 C ATOM 1304 O ARG A 88 -21.023 3.948 0.721 1.00 13.31 O ATOM 1305 CB ARG A 88 -20.659 6.609 2.700 1.00 35.11 C ATOM 1306 CG ARG A 88 -20.674 5.663 3.943 1.00 61.24 C ATOM 1307 CD ARG A 88 -21.479 4.382 3.761 1.00 53.32 C ATOM 1308 NE ARG A 88 -22.879 4.656 3.343 1.00 32.52 N ATOM 1309 CZ ARG A 88 -23.788 3.730 2.942 1.00 61.53 C ATOM 1310 NH1 ARG A 88 -23.477 2.429 2.913 1.00 35.51 N ATOM 1311 NH2 ARG A 88 -25.009 4.118 2.584 1.00 70.31 N ATOM 0 H ARG A 88 -20.084 8.098 0.844 1.00 43.52 H new ATOM 0 HA ARG A 88 -19.156 5.480 1.625 1.00 22.01 H new ATOM 0 HB2 ARG A 88 -20.119 7.515 2.977 1.00 35.11 H new ATOM 0 HB3 ARG A 88 -21.688 6.902 2.492 1.00 35.11 H new ATOM 0 HG2 ARG A 88 -19.647 5.398 4.192 1.00 61.24 H new ATOM 0 HG3 ARG A 88 -21.077 6.211 4.794 1.00 61.24 H new ATOM 0 HD2 ARG A 88 -20.995 3.753 3.014 1.00 53.32 H new ATOM 0 HD3 ARG A 88 -21.483 3.821 4.696 1.00 53.32 H new ATOM 0 HE ARG A 88 -23.185 5.629 3.359 1.00 32.52 H new ATOM 0 HH11 ARG A 88 -22.546 2.121 3.195 1.00 35.51 H new ATOM 0 HH12 ARG A 88 -24.171 1.745 2.609 1.00 35.51 H new ATOM 0 HH21 ARG A 88 -25.259 5.107 2.611 1.00 70.31 H new ATOM 0 HH22 ARG A 88 -25.696 3.427 2.282 1.00 70.31 H new ATOM 1325 N ASN A 89 -21.859 5.807 -0.217 1.00 22.22 N ATOM 1326 CA ASN A 89 -22.840 5.080 -1.025 1.00 24.43 C ATOM 1327 C ASN A 89 -22.170 4.235 -2.080 1.00 25.34 C ATOM 1328 O ASN A 89 -22.748 3.265 -2.562 1.00 71.32 O ATOM 1329 CB ASN A 89 -23.897 5.995 -1.658 1.00 62.41 C ATOM 1330 CG ASN A 89 -24.852 6.601 -0.648 1.00 3.53 C ATOM 1331 OD1 ASN A 89 -24.615 7.677 -0.112 1.00 25.31 O ATOM 1332 ND2 ASN A 89 -25.945 5.930 -0.392 1.00 22.20 N ATOM 0 H ASN A 89 -21.873 6.819 -0.346 1.00 22.22 H new ATOM 0 HA ASN A 89 -23.366 4.422 -0.333 1.00 24.43 H new ATOM 0 HB2 ASN A 89 -23.395 6.797 -2.199 1.00 62.41 H new ATOM 0 HB3 ASN A 89 -24.468 5.425 -2.391 1.00 62.41 H new ATOM 0 HD21 ASN A 89 -26.628 6.300 0.269 1.00 22.20 H new ATOM 0 HD22 ASN A 89 -26.115 5.037 -0.854 1.00 22.20 H new ATOM 1339 N SER A 90 -20.939 4.575 -2.432 1.00 2.35 N ATOM 1340 CA SER A 90 -20.196 3.792 -3.373 1.00 15.54 C ATOM 1341 C SER A 90 -19.859 2.435 -2.762 1.00 15.11 C ATOM 1342 O SER A 90 -19.878 1.419 -3.453 1.00 31.24 O ATOM 1343 CB SER A 90 -18.932 4.524 -3.803 1.00 62.53 C ATOM 1344 OG SER A 90 -19.239 5.786 -4.383 1.00 23.21 O ATOM 0 H SER A 90 -20.444 5.391 -2.072 1.00 2.35 H new ATOM 0 HA SER A 90 -20.806 3.633 -4.262 1.00 15.54 H new ATOM 0 HB2 SER A 90 -18.280 4.666 -2.941 1.00 62.53 H new ATOM 0 HB3 SER A 90 -18.383 3.915 -4.521 1.00 62.53 H new ATOM 0 HG SER A 90 -20.116 5.741 -4.819 1.00 23.21 H new ATOM 1350 N VAL A 91 -19.579 2.414 -1.440 1.00 2.44 N ATOM 1351 CA VAL A 91 -19.248 1.156 -0.786 1.00 43.23 C ATOM 1352 C VAL A 91 -20.469 0.287 -0.789 1.00 72.34 C ATOM 1353 O VAL A 91 -20.385 -0.897 -0.996 1.00 73.21 O ATOM 1354 CB VAL A 91 -18.709 1.283 0.696 1.00 61.45 C ATOM 1355 CG1 VAL A 91 -17.769 2.425 0.829 1.00 33.34 C ATOM 1356 CG2 VAL A 91 -19.782 1.301 1.797 1.00 61.33 C ATOM 0 H VAL A 91 -19.578 3.233 -0.832 1.00 2.44 H new ATOM 0 HA VAL A 91 -18.424 0.728 -1.357 1.00 43.23 H new ATOM 0 HB VAL A 91 -18.170 0.352 0.870 1.00 61.45 H new ATOM 0 HG11 VAL A 91 -17.415 2.487 1.858 1.00 33.34 H new ATOM 0 HG12 VAL A 91 -16.920 2.277 0.162 1.00 33.34 H new ATOM 0 HG13 VAL A 91 -18.281 3.350 0.565 1.00 33.34 H new ATOM 0 HG21 VAL A 91 -19.302 1.391 2.771 1.00 61.33 H new ATOM 0 HG22 VAL A 91 -20.449 2.149 1.641 1.00 61.33 H new ATOM 0 HG23 VAL A 91 -20.357 0.376 1.760 1.00 61.33 H new ATOM 1366 N ASP A 92 -21.614 0.915 -0.577 1.00 53.54 N ATOM 1367 CA ASP A 92 -22.894 0.245 -0.512 1.00 22.51 C ATOM 1368 C ASP A 92 -23.210 -0.457 -1.845 1.00 70.23 C ATOM 1369 O ASP A 92 -23.821 -1.525 -1.883 1.00 32.04 O ATOM 1370 CB ASP A 92 -23.945 1.295 -0.182 1.00 55.12 C ATOM 1371 CG ASP A 92 -25.278 0.727 0.157 1.00 22.23 C ATOM 1372 OD1 ASP A 92 -26.083 0.481 -0.756 1.00 55.30 O ATOM 1373 OD2 ASP A 92 -25.548 0.551 1.359 1.00 41.40 O ATOM 0 H ASP A 92 -21.676 1.924 -0.443 1.00 53.54 H new ATOM 0 HA ASP A 92 -22.882 -0.527 0.257 1.00 22.51 H new ATOM 0 HB2 ASP A 92 -23.593 1.896 0.656 1.00 55.12 H new ATOM 0 HB3 ASP A 92 -24.053 1.967 -1.033 1.00 55.12 H new ATOM 1378 N ALA A 93 -22.803 0.160 -2.935 1.00 64.12 N ATOM 1379 CA ALA A 93 -22.943 -0.444 -4.248 1.00 5.51 C ATOM 1380 C ALA A 93 -21.909 -1.572 -4.446 1.00 60.13 C ATOM 1381 O ALA A 93 -22.173 -2.567 -5.126 1.00 12.12 O ATOM 1382 CB ALA A 93 -22.820 0.608 -5.331 1.00 3.14 C ATOM 0 H ALA A 93 -22.370 1.084 -2.939 1.00 64.12 H new ATOM 0 HA ALA A 93 -23.936 -0.888 -4.319 1.00 5.51 H new ATOM 0 HB1 ALA A 93 -22.927 0.138 -6.309 1.00 3.14 H new ATOM 0 HB2 ALA A 93 -23.601 1.357 -5.201 1.00 3.14 H new ATOM 0 HB3 ALA A 93 -21.843 1.087 -5.264 1.00 3.14 H new ATOM 1388 N ALA A 94 -20.751 -1.414 -3.823 1.00 74.04 N ATOM 1389 CA ALA A 94 -19.655 -2.375 -3.948 1.00 13.51 C ATOM 1390 C ALA A 94 -19.921 -3.626 -3.108 1.00 5.30 C ATOM 1391 O ALA A 94 -19.688 -4.724 -3.546 1.00 75.44 O ATOM 1392 CB ALA A 94 -18.322 -1.733 -3.568 1.00 33.04 C ATOM 0 H ALA A 94 -20.541 -0.621 -3.218 1.00 74.04 H new ATOM 0 HA ALA A 94 -19.595 -2.682 -4.992 1.00 13.51 H new ATOM 0 HB1 ALA A 94 -17.523 -2.467 -3.669 1.00 33.04 H new ATOM 0 HB2 ALA A 94 -18.124 -0.888 -4.227 1.00 33.04 H new ATOM 0 HB3 ALA A 94 -18.367 -1.385 -2.536 1.00 33.04 H new ATOM 1398 N VAL A 95 -20.405 -3.429 -1.895 1.00 34.45 N ATOM 1399 CA VAL A 95 -20.753 -4.526 -0.973 1.00 75.02 C ATOM 1400 C VAL A 95 -21.759 -5.521 -1.561 1.00 73.15 C ATOM 1401 O VAL A 95 -21.854 -6.637 -1.101 1.00 40.54 O ATOM 1402 CB VAL A 95 -21.204 -4.059 0.429 1.00 41.03 C ATOM 1403 CG1 VAL A 95 -20.136 -3.193 1.055 1.00 52.45 C ATOM 1404 CG2 VAL A 95 -22.530 -3.323 0.372 1.00 63.55 C ATOM 0 H VAL A 95 -20.574 -2.501 -1.507 1.00 34.45 H new ATOM 0 HA VAL A 95 -19.808 -5.052 -0.838 1.00 75.02 H new ATOM 0 HB VAL A 95 -21.350 -4.943 1.050 1.00 41.03 H new ATOM 0 HG11 VAL A 95 -20.463 -2.869 2.043 1.00 52.45 H new ATOM 0 HG12 VAL A 95 -19.212 -3.764 1.148 1.00 52.45 H new ATOM 0 HG13 VAL A 95 -19.961 -2.320 0.426 1.00 52.45 H new ATOM 0 HG21 VAL A 95 -22.816 -3.010 1.376 1.00 63.55 H new ATOM 0 HG22 VAL A 95 -22.432 -2.446 -0.268 1.00 63.55 H new ATOM 0 HG23 VAL A 95 -23.296 -3.984 -0.033 1.00 63.55 H new ATOM 1414 N ALA A 96 -22.515 -5.101 -2.571 1.00 63.33 N ATOM 1415 CA ALA A 96 -23.455 -6.002 -3.262 1.00 65.35 C ATOM 1416 C ALA A 96 -22.677 -7.066 -4.076 1.00 43.34 C ATOM 1417 O ALA A 96 -23.237 -8.040 -4.576 1.00 1.04 O ATOM 1418 CB ALA A 96 -24.372 -5.199 -4.166 1.00 11.11 C ATOM 0 H ALA A 96 -22.501 -4.148 -2.934 1.00 63.33 H new ATOM 0 HA ALA A 96 -24.064 -6.518 -2.520 1.00 65.35 H new ATOM 0 HB1 ALA A 96 -25.064 -5.872 -4.673 1.00 11.11 H new ATOM 0 HB2 ALA A 96 -24.935 -4.482 -3.569 1.00 11.11 H new ATOM 0 HB3 ALA A 96 -23.777 -4.665 -4.907 1.00 11.11 H new ATOM 1424 N MET A 97 -21.388 -6.842 -4.178 1.00 1.40 N ATOM 1425 CA MET A 97 -20.445 -7.705 -4.853 1.00 52.32 C ATOM 1426 C MET A 97 -19.669 -8.541 -3.820 1.00 42.34 C ATOM 1427 O MET A 97 -18.699 -9.218 -4.158 1.00 71.20 O ATOM 1428 CB MET A 97 -19.491 -6.830 -5.669 1.00 64.45 C ATOM 1429 CG MET A 97 -20.162 -6.128 -6.839 1.00 43.10 C ATOM 1430 SD MET A 97 -19.294 -4.645 -7.422 1.00 21.02 S ATOM 1431 CE MET A 97 -17.578 -5.058 -7.227 1.00 71.10 C ATOM 0 H MET A 97 -20.947 -6.015 -3.774 1.00 1.40 H new ATOM 0 HA MET A 97 -20.968 -8.393 -5.518 1.00 52.32 H new ATOM 0 HB2 MET A 97 -19.047 -6.082 -5.013 1.00 64.45 H new ATOM 0 HB3 MET A 97 -18.676 -7.448 -6.046 1.00 64.45 H new ATOM 0 HG2 MET A 97 -20.250 -6.832 -7.667 1.00 43.10 H new ATOM 0 HG3 MET A 97 -21.175 -5.850 -6.548 1.00 43.10 H new ATOM 0 HE1 MET A 97 -16.964 -4.310 -7.729 1.00 71.10 H new ATOM 0 HE2 MET A 97 -17.327 -5.080 -6.166 1.00 71.10 H new ATOM 0 HE3 MET A 97 -17.387 -6.038 -7.665 1.00 71.10 H new ATOM 1441 N ASP A 98 -20.136 -8.472 -2.560 1.00 4.24 N ATOM 1442 CA ASP A 98 -19.575 -9.187 -1.378 1.00 61.02 C ATOM 1443 C ASP A 98 -19.034 -10.572 -1.646 1.00 23.10 C ATOM 1444 O ASP A 98 -17.883 -10.825 -1.349 1.00 44.35 O ATOM 1445 CB ASP A 98 -20.634 -9.253 -0.268 1.00 43.24 C ATOM 1446 CG ASP A 98 -20.221 -10.048 0.965 1.00 41.53 C ATOM 1447 OD1 ASP A 98 -20.458 -11.278 1.011 1.00 74.24 O ATOM 1448 OD2 ASP A 98 -19.684 -9.453 1.932 1.00 10.33 O ATOM 0 H ASP A 98 -20.944 -7.898 -2.318 1.00 4.24 H new ATOM 0 HA ASP A 98 -18.708 -8.599 -1.075 1.00 61.02 H new ATOM 0 HB2 ASP A 98 -20.882 -8.237 0.039 1.00 43.24 H new ATOM 0 HB3 ASP A 98 -21.543 -9.693 -0.678 1.00 43.24 H new ATOM 1453 N GLU A 99 -19.828 -11.473 -2.157 1.00 3.23 N ATOM 1454 CA GLU A 99 -19.331 -12.813 -2.405 1.00 63.24 C ATOM 1455 C GLU A 99 -19.384 -13.104 -3.912 1.00 63.13 C ATOM 1456 O GLU A 99 -19.534 -14.247 -4.360 1.00 34.01 O ATOM 1457 CB GLU A 99 -20.170 -13.802 -1.592 1.00 55.52 C ATOM 1458 CG GLU A 99 -19.643 -15.221 -1.576 1.00 30.14 C ATOM 1459 CD GLU A 99 -20.506 -16.129 -0.770 1.00 64.51 C ATOM 1460 OE1 GLU A 99 -21.552 -16.549 -1.268 1.00 62.01 O ATOM 1461 OE2 GLU A 99 -20.160 -16.429 0.381 1.00 25.42 O ATOM 0 H GLU A 99 -20.804 -11.316 -2.408 1.00 3.23 H new ATOM 0 HA GLU A 99 -18.292 -12.912 -2.091 1.00 63.24 H new ATOM 0 HB2 GLU A 99 -20.235 -13.442 -0.565 1.00 55.52 H new ATOM 0 HB3 GLU A 99 -21.184 -13.811 -1.992 1.00 55.52 H new ATOM 0 HG2 GLU A 99 -19.578 -15.595 -2.598 1.00 30.14 H new ATOM 0 HG3 GLU A 99 -18.632 -15.227 -1.170 1.00 30.14 H new ATOM 1468 N THR A 100 -19.232 -12.064 -4.676 1.00 64.35 N ATOM 1469 CA THR A 100 -19.231 -12.150 -6.107 1.00 55.55 C ATOM 1470 C THR A 100 -17.888 -12.758 -6.608 1.00 2.42 C ATOM 1471 O THR A 100 -16.914 -12.870 -5.847 1.00 53.00 O ATOM 1472 CB THR A 100 -19.522 -10.741 -6.681 1.00 34.53 C ATOM 1473 OG1 THR A 100 -20.795 -10.324 -6.180 1.00 32.11 O ATOM 1474 CG2 THR A 100 -19.581 -10.702 -8.192 1.00 74.22 C ATOM 0 H THR A 100 -19.103 -11.118 -4.318 1.00 64.35 H new ATOM 0 HA THR A 100 -20.013 -12.822 -6.462 1.00 55.55 H new ATOM 0 HB THR A 100 -18.705 -10.088 -6.374 1.00 34.53 H new ATOM 0 HG1 THR A 100 -21.284 -9.850 -6.884 1.00 32.11 H new ATOM 0 HG21 THR A 100 -19.788 -9.684 -8.522 1.00 74.22 H new ATOM 0 HG22 THR A 100 -18.625 -11.029 -8.602 1.00 74.22 H new ATOM 0 HG23 THR A 100 -20.372 -11.365 -8.542 1.00 74.22 H new ATOM 1482 N VAL A 101 -17.835 -13.134 -7.864 1.00 14.44 N ATOM 1483 CA VAL A 101 -16.704 -13.817 -8.391 1.00 24.13 C ATOM 1484 C VAL A 101 -15.902 -12.883 -9.306 1.00 15.21 C ATOM 1485 O VAL A 101 -16.466 -12.153 -10.140 1.00 50.31 O ATOM 1486 CB VAL A 101 -17.145 -15.122 -9.128 1.00 14.11 C ATOM 1487 CG1 VAL A 101 -18.111 -14.826 -10.263 1.00 21.53 C ATOM 1488 CG2 VAL A 101 -15.952 -15.917 -9.622 1.00 2.22 C ATOM 0 H VAL A 101 -18.581 -12.969 -8.540 1.00 14.44 H new ATOM 0 HA VAL A 101 -16.052 -14.115 -7.570 1.00 24.13 H new ATOM 0 HB VAL A 101 -17.671 -15.737 -8.398 1.00 14.11 H new ATOM 0 HG11 VAL A 101 -18.395 -15.758 -10.752 1.00 21.53 H new ATOM 0 HG12 VAL A 101 -19.001 -14.339 -9.865 1.00 21.53 H new ATOM 0 HG13 VAL A 101 -17.631 -14.168 -10.987 1.00 21.53 H new ATOM 0 HG21 VAL A 101 -16.299 -16.817 -10.129 1.00 2.22 H new ATOM 0 HG22 VAL A 101 -15.373 -15.310 -10.317 1.00 2.22 H new ATOM 0 HG23 VAL A 101 -15.325 -16.197 -8.775 1.00 2.22 H new ATOM 1498 N PHE A 102 -14.618 -12.876 -9.110 1.00 22.13 N ATOM 1499 CA PHE A 102 -13.715 -12.052 -9.863 1.00 25.10 C ATOM 1500 C PHE A 102 -12.540 -12.890 -10.312 1.00 12.41 C ATOM 1501 O PHE A 102 -11.930 -13.576 -9.505 1.00 10.42 O ATOM 1502 CB PHE A 102 -13.261 -10.870 -8.989 1.00 70.42 C ATOM 1503 CG PHE A 102 -12.248 -9.952 -9.614 1.00 31.20 C ATOM 1504 CD1 PHE A 102 -12.604 -9.093 -10.634 1.00 30.33 C ATOM 1505 CD2 PHE A 102 -10.937 -9.948 -9.171 1.00 30.35 C ATOM 1506 CE1 PHE A 102 -11.674 -8.245 -11.201 1.00 11.43 C ATOM 1507 CE2 PHE A 102 -10.007 -9.105 -9.732 1.00 50.33 C ATOM 1508 CZ PHE A 102 -10.374 -8.250 -10.750 1.00 64.03 C ATOM 0 H PHE A 102 -14.157 -13.454 -8.408 1.00 22.13 H new ATOM 0 HA PHE A 102 -14.209 -11.651 -10.748 1.00 25.10 H new ATOM 0 HB2 PHE A 102 -14.139 -10.283 -8.719 1.00 70.42 H new ATOM 0 HB3 PHE A 102 -12.844 -11.265 -8.063 1.00 70.42 H new ATOM 0 HD1 PHE A 102 -13.623 -9.084 -10.993 1.00 30.33 H new ATOM 0 HD2 PHE A 102 -10.641 -10.615 -8.375 1.00 30.35 H new ATOM 0 HE1 PHE A 102 -11.967 -7.578 -11.998 1.00 11.43 H new ATOM 0 HE2 PHE A 102 -8.988 -9.112 -9.375 1.00 50.33 H new ATOM 0 HZ PHE A 102 -9.644 -7.587 -11.191 1.00 64.03 H new ATOM 1518 N ARG A 103 -12.251 -12.855 -11.605 1.00 73.21 N ATOM 1519 CA ARG A 103 -11.158 -13.617 -12.226 1.00 63.33 C ATOM 1520 C ARG A 103 -11.326 -15.136 -11.945 1.00 30.43 C ATOM 1521 O ARG A 103 -10.364 -15.900 -11.861 1.00 22.22 O ATOM 1522 CB ARG A 103 -9.812 -13.066 -11.708 1.00 13.20 C ATOM 1523 CG ARG A 103 -8.586 -13.583 -12.430 1.00 23.15 C ATOM 1524 CD ARG A 103 -7.342 -12.896 -11.922 1.00 23.24 C ATOM 1525 NE ARG A 103 -6.155 -13.286 -12.680 1.00 42.40 N ATOM 1526 CZ ARG A 103 -5.353 -12.420 -13.322 1.00 62.13 C ATOM 1527 NH1 ARG A 103 -5.658 -11.121 -13.358 1.00 72.52 N ATOM 1528 NH2 ARG A 103 -4.260 -12.852 -13.934 1.00 41.51 N ATOM 0 H ARG A 103 -12.775 -12.288 -12.271 1.00 73.21 H new ATOM 0 HA ARG A 103 -11.181 -13.499 -13.309 1.00 63.33 H new ATOM 0 HB2 ARG A 103 -9.828 -11.979 -11.785 1.00 13.20 H new ATOM 0 HB3 ARG A 103 -9.721 -13.309 -10.649 1.00 13.20 H new ATOM 0 HG2 ARG A 103 -8.499 -14.660 -12.285 1.00 23.15 H new ATOM 0 HG3 ARG A 103 -8.690 -13.413 -13.502 1.00 23.15 H new ATOM 0 HD2 ARG A 103 -7.473 -11.816 -11.984 1.00 23.24 H new ATOM 0 HD3 ARG A 103 -7.197 -13.140 -10.870 1.00 23.24 H new ATOM 0 HE ARG A 103 -5.921 -14.278 -12.724 1.00 42.40 H new ATOM 0 HH11 ARG A 103 -6.503 -10.782 -12.897 1.00 72.52 H new ATOM 0 HH12 ARG A 103 -5.046 -10.467 -13.846 1.00 72.52 H new ATOM 0 HH21 ARG A 103 -4.025 -13.845 -13.919 1.00 41.51 H new ATOM 0 HH22 ARG A 103 -3.653 -12.192 -14.421 1.00 41.51 H new ATOM 1542 N GLY A 104 -12.575 -15.553 -11.861 1.00 75.55 N ATOM 1543 CA GLY A 104 -12.898 -16.954 -11.650 1.00 14.52 C ATOM 1544 C GLY A 104 -12.729 -17.404 -10.204 1.00 63.10 C ATOM 1545 O GLY A 104 -12.857 -18.592 -9.900 1.00 13.33 O ATOM 0 H GLY A 104 -13.387 -14.940 -11.936 1.00 75.55 H new ATOM 0 HA2 GLY A 104 -13.928 -17.132 -11.960 1.00 14.52 H new ATOM 0 HA3 GLY A 104 -12.262 -17.566 -12.290 1.00 14.52 H new ATOM 1549 N ARG A 105 -12.437 -16.474 -9.316 1.00 70.33 N ATOM 1550 CA ARG A 105 -12.276 -16.793 -7.908 1.00 24.11 C ATOM 1551 C ARG A 105 -13.205 -15.929 -7.065 1.00 43.51 C ATOM 1552 O ARG A 105 -13.491 -14.779 -7.416 1.00 15.41 O ATOM 1553 CB ARG A 105 -10.788 -16.671 -7.486 1.00 0.13 C ATOM 1554 CG ARG A 105 -10.170 -15.294 -7.700 1.00 10.54 C ATOM 1555 CD ARG A 105 -8.650 -15.327 -7.566 1.00 13.32 C ATOM 1556 NE ARG A 105 -8.175 -15.741 -6.248 1.00 71.43 N ATOM 1557 CZ ARG A 105 -6.949 -16.241 -5.999 1.00 43.32 C ATOM 1558 NH1 ARG A 105 -6.074 -16.424 -6.988 1.00 22.32 N ATOM 1559 NH2 ARG A 105 -6.600 -16.543 -4.759 1.00 40.24 N ATOM 0 H ARG A 105 -12.306 -15.488 -9.544 1.00 70.33 H new ATOM 0 HA ARG A 105 -12.562 -17.831 -7.736 1.00 24.11 H new ATOM 0 HB2 ARG A 105 -10.702 -16.931 -6.431 1.00 0.13 H new ATOM 0 HB3 ARG A 105 -10.206 -17.405 -8.044 1.00 0.13 H new ATOM 0 HG2 ARG A 105 -10.440 -14.925 -8.689 1.00 10.54 H new ATOM 0 HG3 ARG A 105 -10.584 -14.593 -6.975 1.00 10.54 H new ATOM 0 HD2 ARG A 105 -8.245 -16.006 -8.316 1.00 13.32 H new ATOM 0 HD3 ARG A 105 -8.255 -14.335 -7.787 1.00 13.32 H new ATOM 0 HE ARG A 105 -8.817 -15.645 -5.461 1.00 71.43 H new ATOM 0 HH11 ARG A 105 -6.330 -16.185 -7.946 1.00 22.32 H new ATOM 0 HH12 ARG A 105 -5.149 -16.803 -6.787 1.00 22.32 H new ATOM 0 HH21 ARG A 105 -7.259 -16.397 -3.994 1.00 40.24 H new ATOM 0 HH22 ARG A 105 -5.672 -16.922 -4.568 1.00 40.24 H new ATOM 1573 N THR A 106 -13.702 -16.481 -5.990 1.00 61.25 N ATOM 1574 CA THR A 106 -14.642 -15.781 -5.154 1.00 1.41 C ATOM 1575 C THR A 106 -13.911 -14.802 -4.259 1.00 34.45 C ATOM 1576 O THR A 106 -13.045 -15.197 -3.463 1.00 12.31 O ATOM 1577 CB THR A 106 -15.419 -16.781 -4.276 1.00 24.24 C ATOM 1578 OG1 THR A 106 -16.041 -17.775 -5.119 1.00 3.24 O ATOM 1579 CG2 THR A 106 -16.490 -16.074 -3.453 1.00 35.54 C ATOM 0 H THR A 106 -13.469 -17.421 -5.670 1.00 61.25 H new ATOM 0 HA THR A 106 -15.339 -15.241 -5.795 1.00 1.41 H new ATOM 0 HB THR A 106 -14.716 -17.255 -3.591 1.00 24.24 H new ATOM 0 HG1 THR A 106 -16.534 -18.413 -4.563 1.00 3.24 H new ATOM 0 HG21 THR A 106 -17.022 -16.805 -2.844 1.00 35.54 H new ATOM 0 HG22 THR A 106 -16.021 -15.333 -2.805 1.00 35.54 H new ATOM 0 HG23 THR A 106 -17.194 -15.578 -4.121 1.00 35.54 H new ATOM 1587 N ILE A 107 -14.227 -13.551 -4.389 1.00 32.12 N ATOM 1588 CA ILE A 107 -13.636 -12.554 -3.546 1.00 43.13 C ATOM 1589 C ILE A 107 -14.616 -12.143 -2.480 1.00 32.32 C ATOM 1590 O ILE A 107 -15.776 -12.549 -2.499 1.00 61.11 O ATOM 1591 CB ILE A 107 -13.215 -11.283 -4.346 1.00 2.02 C ATOM 1592 CG1 ILE A 107 -14.442 -10.612 -5.012 1.00 62.03 C ATOM 1593 CG2 ILE A 107 -12.155 -11.637 -5.389 1.00 3.11 C ATOM 1594 CD1 ILE A 107 -14.141 -9.286 -5.695 1.00 61.13 C ATOM 0 H ILE A 107 -14.893 -13.193 -5.073 1.00 32.12 H new ATOM 0 HA ILE A 107 -12.743 -12.996 -3.104 1.00 43.13 H new ATOM 0 HB ILE A 107 -12.785 -10.567 -3.646 1.00 2.02 H new ATOM 0 HG12 ILE A 107 -14.861 -11.298 -5.748 1.00 62.03 H new ATOM 0 HG13 ILE A 107 -15.208 -10.450 -4.254 1.00 62.03 H new ATOM 0 HG21 ILE A 107 -11.872 -10.740 -5.939 1.00 3.11 H new ATOM 0 HG22 ILE A 107 -11.278 -12.049 -4.891 1.00 3.11 H new ATOM 0 HG23 ILE A 107 -12.559 -12.375 -6.082 1.00 3.11 H new ATOM 0 HD11 ILE A 107 -15.055 -8.887 -6.134 1.00 61.13 H new ATOM 0 HD12 ILE A 107 -13.752 -8.579 -4.962 1.00 61.13 H new ATOM 0 HD13 ILE A 107 -13.400 -9.441 -6.479 1.00 61.13 H new ATOM 1606 N LYS A 108 -14.144 -11.381 -1.548 1.00 11.13 N ATOM 1607 CA LYS A 108 -14.964 -10.845 -0.501 1.00 73.13 C ATOM 1608 C LYS A 108 -14.949 -9.376 -0.589 1.00 52.04 C ATOM 1609 O LYS A 108 -13.884 -8.792 -0.695 1.00 42.50 O ATOM 1610 CB LYS A 108 -14.465 -11.216 0.898 1.00 22.00 C ATOM 1611 CG LYS A 108 -14.946 -12.499 1.498 1.00 52.44 C ATOM 1612 CD LYS A 108 -16.472 -12.587 1.614 1.00 75.40 C ATOM 1613 CE LYS A 108 -17.071 -11.610 2.616 1.00 42.02 C ATOM 1614 NZ LYS A 108 -18.513 -11.868 2.783 1.00 1.43 N ATOM 0 H LYS A 108 -13.163 -11.107 -1.488 1.00 11.13 H new ATOM 0 HA LYS A 108 -15.961 -11.264 -0.637 1.00 73.13 H new ATOM 0 HB2 LYS A 108 -13.376 -11.250 0.866 1.00 22.00 H new ATOM 0 HB3 LYS A 108 -14.739 -10.407 1.576 1.00 22.00 H new ATOM 0 HG2 LYS A 108 -14.587 -13.331 0.892 1.00 52.44 H new ATOM 0 HG3 LYS A 108 -14.507 -12.614 2.489 1.00 52.44 H new ATOM 0 HD2 LYS A 108 -16.912 -12.403 0.634 1.00 75.40 H new ATOM 0 HD3 LYS A 108 -16.747 -13.602 1.902 1.00 75.40 H new ATOM 0 HE2 LYS A 108 -16.564 -11.706 3.576 1.00 42.02 H new ATOM 0 HE3 LYS A 108 -16.915 -10.587 2.274 1.00 42.02 H new ATOM 0 HZ1 LYS A 108 -18.961 -11.050 3.243 1.00 1.43 H new ATOM 0 HZ2 LYS A 108 -18.948 -12.022 1.851 1.00 1.43 H new ATOM 0 HZ3 LYS A 108 -18.648 -12.714 3.372 1.00 1.43 H new ATOM 1628 N VAL A 109 -16.091 -8.784 -0.570 1.00 11.04 N ATOM 1629 CA VAL A 109 -16.187 -7.366 -0.494 1.00 32.24 C ATOM 1630 C VAL A 109 -17.071 -7.037 0.692 1.00 44.33 C ATOM 1631 O VAL A 109 -18.263 -7.299 0.659 1.00 70.33 O ATOM 1632 CB VAL A 109 -16.827 -6.726 -1.765 1.00 51.32 C ATOM 1633 CG1 VAL A 109 -16.805 -5.216 -1.685 1.00 62.24 C ATOM 1634 CG2 VAL A 109 -16.148 -7.198 -3.036 1.00 22.52 C ATOM 0 H VAL A 109 -16.988 -9.269 -0.607 1.00 11.04 H new ATOM 0 HA VAL A 109 -15.178 -6.964 -0.401 1.00 32.24 H new ATOM 0 HB VAL A 109 -17.865 -7.056 -1.800 1.00 51.32 H new ATOM 0 HG11 VAL A 109 -17.257 -4.797 -2.584 1.00 62.24 H new ATOM 0 HG12 VAL A 109 -17.367 -4.890 -0.810 1.00 62.24 H new ATOM 0 HG13 VAL A 109 -15.774 -4.871 -1.603 1.00 62.24 H new ATOM 0 HG21 VAL A 109 -16.623 -6.729 -3.898 1.00 22.52 H new ATOM 0 HG22 VAL A 109 -15.094 -6.923 -3.009 1.00 22.52 H new ATOM 0 HG23 VAL A 109 -16.239 -8.281 -3.116 1.00 22.52 H new ATOM 1644 N LEU A 110 -16.518 -6.461 1.728 1.00 73.23 N ATOM 1645 CA LEU A 110 -17.336 -6.101 2.847 1.00 4.53 C ATOM 1646 C LEU A 110 -16.894 -4.737 3.343 1.00 54.01 C ATOM 1647 O LEU A 110 -15.726 -4.416 3.228 1.00 32.13 O ATOM 1648 CB LEU A 110 -17.486 -7.245 3.963 1.00 53.23 C ATOM 1649 CG LEU A 110 -16.528 -7.479 5.208 1.00 44.01 C ATOM 1650 CD1 LEU A 110 -15.195 -8.055 4.897 1.00 64.25 C ATOM 1651 CD2 LEU A 110 -16.398 -6.273 6.101 1.00 53.03 C ATOM 0 H LEU A 110 -15.527 -6.237 1.817 1.00 73.23 H new ATOM 0 HA LEU A 110 -18.373 -6.013 2.522 1.00 4.53 H new ATOM 0 HB2 LEU A 110 -18.484 -7.115 4.382 1.00 53.23 H new ATOM 0 HB3 LEU A 110 -17.490 -8.188 3.416 1.00 53.23 H new ATOM 0 HG LEU A 110 -17.055 -8.255 5.763 1.00 44.01 H new ATOM 0 HD11 LEU A 110 -14.625 -8.172 5.819 1.00 64.25 H new ATOM 0 HD12 LEU A 110 -15.321 -9.028 4.422 1.00 64.25 H new ATOM 0 HD13 LEU A 110 -14.659 -7.388 4.221 1.00 64.25 H new ATOM 0 HD21 LEU A 110 -15.729 -6.505 6.930 1.00 53.03 H new ATOM 0 HD22 LEU A 110 -15.992 -5.439 5.529 1.00 53.03 H new ATOM 0 HD23 LEU A 110 -17.379 -6.002 6.491 1.00 53.03 H new ATOM 1663 N PRO A 111 -17.798 -3.895 3.861 1.00 35.10 N ATOM 1664 CA PRO A 111 -17.449 -2.533 4.225 1.00 30.41 C ATOM 1665 C PRO A 111 -16.675 -2.468 5.527 1.00 42.42 C ATOM 1666 O PRO A 111 -17.010 -3.151 6.505 1.00 63.01 O ATOM 1667 CB PRO A 111 -18.800 -1.834 4.344 1.00 54.23 C ATOM 1668 CG PRO A 111 -19.758 -2.909 4.712 1.00 55.45 C ATOM 1669 CD PRO A 111 -19.202 -4.208 4.179 1.00 13.50 C ATOM 0 HA PRO A 111 -16.791 -2.066 3.492 1.00 30.41 H new ATOM 0 HB2 PRO A 111 -18.774 -1.052 5.103 1.00 54.23 H new ATOM 0 HB3 PRO A 111 -19.082 -1.358 3.405 1.00 54.23 H new ATOM 0 HG2 PRO A 111 -19.882 -2.959 5.794 1.00 55.45 H new ATOM 0 HG3 PRO A 111 -20.742 -2.709 4.287 1.00 55.45 H new ATOM 0 HD2 PRO A 111 -19.275 -5.006 4.918 1.00 13.50 H new ATOM 0 HD3 PRO A 111 -19.746 -4.542 3.295 1.00 13.50 H new ATOM 1677 N LYS A 112 -15.654 -1.650 5.544 1.00 34.20 N ATOM 1678 CA LYS A 112 -14.821 -1.540 6.696 1.00 33.13 C ATOM 1679 C LYS A 112 -15.478 -0.570 7.679 1.00 5.51 C ATOM 1680 O LYS A 112 -15.202 0.627 7.674 1.00 11.40 O ATOM 1681 CB LYS A 112 -13.407 -1.082 6.298 1.00 61.15 C ATOM 1682 CG LYS A 112 -12.382 -1.153 7.420 1.00 23.21 C ATOM 1683 CD LYS A 112 -11.018 -0.627 6.985 1.00 41.35 C ATOM 1684 CE LYS A 112 -11.075 0.858 6.700 1.00 11.42 C ATOM 1685 NZ LYS A 112 -9.778 1.413 6.256 1.00 71.21 N ATOM 0 H LYS A 112 -15.385 -1.050 4.764 1.00 34.20 H new ATOM 0 HA LYS A 112 -14.713 -2.512 7.178 1.00 33.13 H new ATOM 0 HB2 LYS A 112 -13.060 -1.696 5.467 1.00 61.15 H new ATOM 0 HB3 LYS A 112 -13.460 -0.055 5.936 1.00 61.15 H new ATOM 0 HG2 LYS A 112 -12.738 -0.575 8.273 1.00 23.21 H new ATOM 0 HG3 LYS A 112 -12.282 -2.186 7.754 1.00 23.21 H new ATOM 0 HD2 LYS A 112 -10.283 -0.823 7.766 1.00 41.35 H new ATOM 0 HD3 LYS A 112 -10.686 -1.160 6.094 1.00 41.35 H new ATOM 0 HE2 LYS A 112 -11.826 1.046 5.933 1.00 11.42 H new ATOM 0 HE3 LYS A 112 -11.399 1.382 7.599 1.00 11.42 H new ATOM 0 HZ1 LYS A 112 -9.470 2.151 6.921 1.00 71.21 H new ATOM 0 HZ2 LYS A 112 -9.067 0.654 6.227 1.00 71.21 H new ATOM 0 HZ3 LYS A 112 -9.883 1.825 5.307 1.00 71.21 H new ATOM 2166 N GLY B 21 -7.621 -6.831 9.427 1.00 0.13 N ATOM 2167 CA GLY B 21 -8.833 -7.604 9.114 1.00 32.01 C ATOM 2168 C GLY B 21 -8.688 -9.130 9.159 1.00 73.41 C ATOM 2169 O GLY B 21 -8.343 -9.682 10.199 1.00 62.42 O ATOM 0 HA2 GLY B 21 -9.616 -7.313 9.814 1.00 32.01 H new ATOM 0 HA3 GLY B 21 -9.174 -7.321 8.118 1.00 32.01 H new ATOM 2173 N PRO B 22 -8.965 -9.819 8.013 1.00 40.22 N ATOM 2174 CA PRO B 22 -9.014 -11.298 7.887 1.00 25.53 C ATOM 2175 C PRO B 22 -7.927 -12.131 8.605 1.00 1.44 C ATOM 2176 O PRO B 22 -8.289 -13.052 9.352 1.00 64.21 O ATOM 2177 CB PRO B 22 -8.977 -11.555 6.369 1.00 62.25 C ATOM 2178 CG PRO B 22 -8.762 -10.219 5.751 1.00 34.21 C ATOM 2179 CD PRO B 22 -9.276 -9.204 6.725 1.00 30.23 C ATOM 0 HA PRO B 22 -9.911 -11.641 8.402 1.00 25.53 H new ATOM 0 HB2 PRO B 22 -8.174 -12.244 6.106 1.00 62.25 H new ATOM 0 HB3 PRO B 22 -9.908 -12.003 6.023 1.00 62.25 H new ATOM 0 HG2 PRO B 22 -7.705 -10.055 5.543 1.00 34.21 H new ATOM 0 HG3 PRO B 22 -9.289 -10.144 4.800 1.00 34.21 H new ATOM 0 HD2 PRO B 22 -8.782 -8.240 6.605 1.00 30.23 H new ATOM 0 HD3 PRO B 22 -10.346 -9.031 6.605 1.00 30.23 H new ATOM 2187 N PRO B 23 -6.588 -11.863 8.410 1.00 53.05 N ATOM 2188 CA PRO B 23 -5.552 -12.719 8.985 1.00 12.21 C ATOM 2189 C PRO B 23 -5.666 -12.794 10.494 1.00 54.25 C ATOM 2190 O PRO B 23 -5.693 -11.769 11.183 1.00 3.10 O ATOM 2191 CB PRO B 23 -4.236 -12.042 8.561 1.00 31.32 C ATOM 2192 CG PRO B 23 -4.619 -10.644 8.278 1.00 32.22 C ATOM 2193 CD PRO B 23 -5.988 -10.719 7.692 1.00 73.32 C ATOM 0 HA PRO B 23 -5.627 -13.750 8.639 1.00 12.21 H new ATOM 0 HB2 PRO B 23 -3.488 -12.097 9.352 1.00 31.32 H new ATOM 0 HB3 PRO B 23 -3.807 -12.523 7.682 1.00 31.32 H new ATOM 0 HG2 PRO B 23 -4.613 -10.043 9.188 1.00 32.22 H new ATOM 0 HG3 PRO B 23 -3.920 -10.178 7.584 1.00 32.22 H new ATOM 0 HD2 PRO B 23 -6.549 -9.799 7.856 1.00 73.32 H new ATOM 0 HD3 PRO B 23 -5.959 -10.887 6.615 1.00 73.32 H new ATOM 2201 N GLN B 24 -5.786 -14.007 10.996 1.00 1.53 N ATOM 2202 CA GLN B 24 -5.880 -14.237 12.409 1.00 75.32 C ATOM 2203 C GLN B 24 -4.655 -13.716 13.106 1.00 23.34 C ATOM 2204 O GLN B 24 -3.532 -13.898 12.610 1.00 11.32 O ATOM 2205 CB GLN B 24 -6.146 -15.712 12.707 1.00 42.31 C ATOM 2206 CG GLN B 24 -7.499 -16.167 12.189 1.00 52.44 C ATOM 2207 CD GLN B 24 -8.648 -15.437 12.861 1.00 62.50 C ATOM 2208 OE1 GLN B 24 -9.168 -15.888 13.880 1.00 12.23 O ATOM 2209 NE2 GLN B 24 -9.058 -14.318 12.304 1.00 33.55 N ATOM 0 H GLN B 24 -5.820 -14.855 10.430 1.00 1.53 H new ATOM 0 HA GLN B 24 -6.733 -13.684 12.802 1.00 75.32 H new ATOM 0 HB2 GLN B 24 -5.362 -16.319 12.254 1.00 42.31 H new ATOM 0 HB3 GLN B 24 -6.096 -15.878 13.783 1.00 42.31 H new ATOM 0 HG2 GLN B 24 -7.547 -16.003 11.112 1.00 52.44 H new ATOM 0 HG3 GLN B 24 -7.607 -17.239 12.353 1.00 52.44 H new ATOM 0 HE21 GLN B 24 -8.604 -13.973 11.459 1.00 33.55 H new ATOM 0 HE22 GLN B 24 -9.830 -13.796 12.718 1.00 33.55 H new ATOM 2218 N PRO B 25 -4.860 -13.036 14.241 1.00 45.32 N ATOM 2219 CA PRO B 25 -3.809 -12.346 14.951 1.00 44.34 C ATOM 2220 C PRO B 25 -2.620 -13.217 15.297 1.00 51.14 C ATOM 2221 O PRO B 25 -2.675 -14.056 16.201 1.00 70.43 O ATOM 2222 CB PRO B 25 -4.476 -11.802 16.223 1.00 14.43 C ATOM 2223 CG PRO B 25 -5.802 -12.473 16.304 1.00 75.32 C ATOM 2224 CD PRO B 25 -6.158 -12.908 14.917 1.00 52.13 C ATOM 0 HA PRO B 25 -3.388 -11.564 14.319 1.00 44.34 H new ATOM 0 HB2 PRO B 25 -3.873 -12.020 17.105 1.00 14.43 H new ATOM 0 HB3 PRO B 25 -4.588 -10.719 16.173 1.00 14.43 H new ATOM 0 HG2 PRO B 25 -5.761 -13.329 16.978 1.00 75.32 H new ATOM 0 HG3 PRO B 25 -6.555 -11.792 16.700 1.00 75.32 H new ATOM 0 HD2 PRO B 25 -6.700 -13.853 14.922 1.00 52.13 H new ATOM 0 HD3 PRO B 25 -6.796 -12.177 14.421 1.00 52.13 H new ATOM 2232 N LEU B 26 -1.566 -13.046 14.532 1.00 61.50 N ATOM 2233 CA LEU B 26 -0.324 -13.705 14.800 1.00 32.11 C ATOM 2234 C LEU B 26 0.322 -13.108 16.051 1.00 65.14 C ATOM 2235 O LEU B 26 -0.165 -12.079 16.576 1.00 74.20 O ATOM 2236 CB LEU B 26 0.629 -13.779 13.539 1.00 0.21 C ATOM 2237 CG LEU B 26 1.041 -12.480 12.757 1.00 64.23 C ATOM 2238 CD1 LEU B 26 -0.132 -11.753 12.121 1.00 15.12 C ATOM 2239 CD2 LEU B 26 1.856 -11.544 13.608 1.00 53.24 C ATOM 0 H LEU B 26 -1.553 -12.445 13.708 1.00 61.50 H new ATOM 0 HA LEU B 26 -0.529 -14.753 15.017 1.00 32.11 H new ATOM 0 HB2 LEU B 26 1.551 -14.262 13.864 1.00 0.21 H new ATOM 0 HB3 LEU B 26 0.155 -14.447 12.820 1.00 0.21 H new ATOM 0 HG LEU B 26 1.668 -12.828 11.936 1.00 64.23 H new ATOM 0 HD11 LEU B 26 0.229 -10.867 11.599 1.00 15.12 H new ATOM 0 HD12 LEU B 26 -0.629 -12.415 11.412 1.00 15.12 H new ATOM 0 HD13 LEU B 26 -0.839 -11.455 12.896 1.00 15.12 H new ATOM 0 HD21 LEU B 26 2.119 -10.660 13.027 1.00 53.24 H new ATOM 0 HD22 LEU B 26 1.274 -11.246 14.480 1.00 53.24 H new ATOM 0 HD23 LEU B 26 2.766 -12.048 13.934 1.00 53.24 H new ATOM 2251 N SER B 27 1.373 -13.724 16.536 1.00 0.31 N ATOM 2252 CA SER B 27 1.977 -13.317 17.788 1.00 35.24 C ATOM 2253 C SER B 27 2.458 -11.866 17.767 1.00 51.34 C ATOM 2254 O SER B 27 2.947 -11.359 16.745 1.00 21.45 O ATOM 2255 CB SER B 27 3.133 -14.262 18.137 1.00 71.24 C ATOM 2256 OG SER B 27 3.765 -13.907 19.361 1.00 42.21 O ATOM 0 H SER B 27 1.832 -14.514 16.082 1.00 0.31 H new ATOM 0 HA SER B 27 1.207 -13.378 18.557 1.00 35.24 H new ATOM 0 HB2 SER B 27 2.757 -15.283 18.206 1.00 71.24 H new ATOM 0 HB3 SER B 27 3.868 -14.247 17.332 1.00 71.24 H new ATOM 0 HG SER B 27 4.494 -14.535 19.547 1.00 42.21 H new ATOM 2262 N ALA B 28 2.298 -11.220 18.916 1.00 63.12 N ATOM 2263 CA ALA B 28 2.745 -9.853 19.147 1.00 51.24 C ATOM 2264 C ALA B 28 4.216 -9.673 18.790 1.00 65.11 C ATOM 2265 O ALA B 28 4.611 -8.631 18.268 1.00 74.41 O ATOM 2266 CB ALA B 28 2.494 -9.449 20.588 1.00 43.23 C ATOM 0 H ALA B 28 1.845 -11.640 19.728 1.00 63.12 H new ATOM 0 HA ALA B 28 2.166 -9.202 18.492 1.00 51.24 H new ATOM 0 HB1 ALA B 28 2.834 -8.425 20.743 1.00 43.23 H new ATOM 0 HB2 ALA B 28 1.428 -9.514 20.804 1.00 43.23 H new ATOM 0 HB3 ALA B 28 3.040 -10.117 21.254 1.00 43.23 H new ATOM 2272 N GLU B 29 5.010 -10.697 19.058 1.00 44.31 N ATOM 2273 CA GLU B 29 6.445 -10.689 18.766 1.00 40.33 C ATOM 2274 C GLU B 29 6.660 -10.517 17.264 1.00 14.11 C ATOM 2275 O GLU B 29 7.427 -9.654 16.834 1.00 63.32 O ATOM 2276 CB GLU B 29 7.052 -12.008 19.213 1.00 54.24 C ATOM 2277 CG GLU B 29 6.865 -12.319 20.685 1.00 41.33 C ATOM 2278 CD GLU B 29 7.714 -11.499 21.588 1.00 42.10 C ATOM 2279 OE1 GLU B 29 8.884 -11.859 21.824 1.00 14.02 O ATOM 2280 OE2 GLU B 29 7.219 -10.502 22.100 1.00 14.23 O ATOM 0 H GLU B 29 4.682 -11.563 19.486 1.00 44.31 H new ATOM 0 HA GLU B 29 6.921 -9.865 19.297 1.00 40.33 H new ATOM 0 HB2 GLU B 29 6.612 -12.814 18.626 1.00 54.24 H new ATOM 0 HB3 GLU B 29 8.119 -11.997 18.990 1.00 54.24 H new ATOM 0 HG2 GLU B 29 5.818 -12.166 20.948 1.00 41.33 H new ATOM 0 HG3 GLU B 29 7.085 -13.373 20.854 1.00 41.33 H new ATOM 2287 N GLU B 30 5.950 -11.326 16.475 1.00 50.24 N ATOM 2288 CA GLU B 30 6.027 -11.258 15.022 1.00 22.12 C ATOM 2289 C GLU B 30 5.584 -9.930 14.497 1.00 3.44 C ATOM 2290 O GLU B 30 6.176 -9.418 13.563 1.00 54.34 O ATOM 2291 CB GLU B 30 5.247 -12.379 14.331 1.00 63.15 C ATOM 2292 CG GLU B 30 5.961 -13.713 14.228 1.00 65.20 C ATOM 2293 CD GLU B 30 6.334 -14.326 15.553 1.00 72.41 C ATOM 2294 OE1 GLU B 30 7.448 -14.056 16.061 1.00 70.33 O ATOM 2295 OE2 GLU B 30 5.530 -15.104 16.091 1.00 42.03 O ATOM 0 H GLU B 30 5.312 -12.040 16.826 1.00 50.24 H new ATOM 0 HA GLU B 30 7.082 -11.392 14.783 1.00 22.12 H new ATOM 0 HB2 GLU B 30 4.311 -12.530 14.869 1.00 63.15 H new ATOM 0 HB3 GLU B 30 4.987 -12.049 13.325 1.00 63.15 H new ATOM 0 HG2 GLU B 30 5.323 -14.411 13.686 1.00 65.20 H new ATOM 0 HG3 GLU B 30 6.866 -13.581 13.635 1.00 65.20 H new ATOM 2302 N LYS B 31 4.579 -9.330 15.118 1.00 3.54 N ATOM 2303 CA LYS B 31 4.124 -8.071 14.627 1.00 73.43 C ATOM 2304 C LYS B 31 5.057 -6.920 14.868 1.00 30.10 C ATOM 2305 O LYS B 31 5.198 -6.048 14.016 1.00 64.01 O ATOM 2306 CB LYS B 31 2.630 -7.760 14.744 1.00 70.13 C ATOM 2307 CG LYS B 31 1.857 -8.348 15.884 1.00 31.03 C ATOM 2308 CD LYS B 31 0.387 -8.027 15.682 1.00 10.35 C ATOM 2309 CE LYS B 31 -0.256 -8.902 14.601 1.00 51.10 C ATOM 2310 NZ LYS B 31 -1.604 -8.430 14.232 1.00 54.43 N ATOM 0 H LYS B 31 4.087 -9.692 15.935 1.00 3.54 H new ATOM 0 HA LYS B 31 4.190 -8.232 13.551 1.00 73.43 H new ATOM 0 HB2 LYS B 31 2.522 -6.677 14.796 1.00 70.13 H new ATOM 0 HB3 LYS B 31 2.152 -8.084 13.819 1.00 70.13 H new ATOM 0 HG2 LYS B 31 2.007 -9.427 15.928 1.00 31.03 H new ATOM 0 HG3 LYS B 31 2.208 -7.939 16.831 1.00 31.03 H new ATOM 0 HD2 LYS B 31 -0.146 -8.166 16.623 1.00 10.35 H new ATOM 0 HD3 LYS B 31 0.281 -6.977 15.407 1.00 10.35 H new ATOM 0 HE2 LYS B 31 0.380 -8.909 13.716 1.00 51.10 H new ATOM 0 HE3 LYS B 31 -0.318 -9.930 14.957 1.00 51.10 H new ATOM 0 HZ1 LYS B 31 -2.001 -9.051 13.498 1.00 54.43 H new ATOM 0 HZ2 LYS B 31 -2.219 -8.448 15.070 1.00 54.43 H new ATOM 0 HZ3 LYS B 31 -1.544 -7.458 13.867 1.00 54.43 H new ATOM 2324 N LYS B 32 5.739 -6.933 16.001 1.00 2.34 N ATOM 2325 CA LYS B 32 6.744 -5.942 16.275 1.00 43.14 C ATOM 2326 C LYS B 32 7.896 -6.051 15.299 1.00 11.22 C ATOM 2327 O LYS B 32 8.386 -5.060 14.795 1.00 53.12 O ATOM 2328 CB LYS B 32 7.239 -6.101 17.685 1.00 54.01 C ATOM 2329 CG LYS B 32 6.203 -5.675 18.691 1.00 53.44 C ATOM 2330 CD LYS B 32 6.602 -6.020 20.094 1.00 45.53 C ATOM 2331 CE LYS B 32 6.707 -7.502 20.267 1.00 1.13 C ATOM 2332 NZ LYS B 32 6.751 -7.900 21.697 1.00 13.15 N ATOM 0 H LYS B 32 5.609 -7.623 16.741 1.00 2.34 H new ATOM 0 HA LYS B 32 6.298 -4.954 16.158 1.00 43.14 H new ATOM 0 HB2 LYS B 32 7.510 -7.142 17.860 1.00 54.01 H new ATOM 0 HB3 LYS B 32 8.144 -5.509 17.822 1.00 54.01 H new ATOM 0 HG2 LYS B 32 6.045 -4.599 18.614 1.00 53.44 H new ATOM 0 HG3 LYS B 32 5.253 -6.155 18.457 1.00 53.44 H new ATOM 0 HD2 LYS B 32 7.558 -5.553 20.330 1.00 45.53 H new ATOM 0 HD3 LYS B 32 5.870 -5.619 20.794 1.00 45.53 H new ATOM 0 HE2 LYS B 32 5.857 -7.983 19.784 1.00 1.13 H new ATOM 0 HE3 LYS B 32 7.605 -7.862 19.764 1.00 1.13 H new ATOM 0 HZ1 LYS B 32 7.246 -8.810 21.789 1.00 13.15 H new ATOM 0 HZ2 LYS B 32 7.256 -7.174 22.244 1.00 13.15 H new ATOM 0 HZ3 LYS B 32 5.781 -7.995 22.061 1.00 13.15 H new ATOM 2346 N GLU B 33 8.281 -7.281 15.004 1.00 21.13 N ATOM 2347 CA GLU B 33 9.400 -7.540 14.125 1.00 51.31 C ATOM 2348 C GLU B 33 9.097 -7.204 12.670 1.00 32.22 C ATOM 2349 O GLU B 33 9.906 -6.593 12.007 1.00 3.31 O ATOM 2350 CB GLU B 33 9.904 -8.975 14.278 1.00 24.14 C ATOM 2351 CG GLU B 33 10.601 -9.242 15.606 1.00 32.24 C ATOM 2352 CD GLU B 33 11.881 -8.441 15.742 1.00 73.41 C ATOM 2353 OE1 GLU B 33 12.871 -8.797 15.097 1.00 45.14 O ATOM 2354 OE2 GLU B 33 11.912 -7.448 16.452 1.00 53.43 O ATOM 0 H GLU B 33 7.828 -8.120 15.366 1.00 21.13 H new ATOM 0 HA GLU B 33 10.201 -6.868 14.433 1.00 51.31 H new ATOM 0 HB2 GLU B 33 9.062 -9.659 14.176 1.00 24.14 H new ATOM 0 HB3 GLU B 33 10.595 -9.197 13.464 1.00 24.14 H new ATOM 0 HG2 GLU B 33 9.928 -8.993 16.426 1.00 32.24 H new ATOM 0 HG3 GLU B 33 10.827 -10.305 15.691 1.00 32.24 H new ATOM 2361 N ILE B 34 7.917 -7.572 12.198 1.00 73.22 N ATOM 2362 CA ILE B 34 7.559 -7.359 10.788 1.00 40.01 C ATOM 2363 C ILE B 34 7.477 -5.877 10.413 1.00 20.34 C ATOM 2364 O ILE B 34 7.873 -5.497 9.312 1.00 41.20 O ATOM 2365 CB ILE B 34 6.297 -8.138 10.327 1.00 73.54 C ATOM 2366 CG1 ILE B 34 5.080 -7.752 11.161 1.00 11.23 C ATOM 2367 CG2 ILE B 34 6.555 -9.647 10.364 1.00 34.52 C ATOM 2368 CD1 ILE B 34 3.833 -8.578 10.883 1.00 24.00 C ATOM 0 H ILE B 34 7.190 -8.017 12.758 1.00 73.22 H new ATOM 0 HA ILE B 34 8.391 -7.789 10.230 1.00 40.01 H new ATOM 0 HB ILE B 34 6.079 -7.864 9.295 1.00 73.54 H new ATOM 0 HG12 ILE B 34 5.335 -7.847 12.217 1.00 11.23 H new ATOM 0 HG13 ILE B 34 4.851 -6.701 10.981 1.00 11.23 H new ATOM 0 HG21 ILE B 34 5.660 -10.177 10.038 1.00 34.52 H new ATOM 0 HG22 ILE B 34 7.384 -9.891 9.699 1.00 34.52 H new ATOM 0 HG23 ILE B 34 6.805 -9.949 11.381 1.00 34.52 H new ATOM 0 HD11 ILE B 34 3.019 -8.234 11.521 1.00 24.00 H new ATOM 0 HD12 ILE B 34 3.547 -8.465 9.837 1.00 24.00 H new ATOM 0 HD13 ILE B 34 4.038 -9.628 11.092 1.00 24.00 H new ATOM 2380 N ASP B 35 7.011 -5.024 11.330 1.00 30.31 N ATOM 2381 CA ASP B 35 6.962 -3.580 11.036 1.00 0.50 C ATOM 2382 C ASP B 35 8.372 -2.957 11.049 1.00 70.01 C ATOM 2383 O ASP B 35 8.628 -1.934 10.399 1.00 43.32 O ATOM 2384 CB ASP B 35 5.985 -2.808 11.948 1.00 24.13 C ATOM 2385 CG ASP B 35 4.522 -3.070 11.647 1.00 61.41 C ATOM 2386 OD1 ASP B 35 3.970 -2.433 10.739 1.00 60.12 O ATOM 2387 OD2 ASP B 35 3.893 -3.902 12.284 1.00 44.12 O ATOM 0 H ASP B 35 6.672 -5.291 12.254 1.00 30.31 H new ATOM 0 HA ASP B 35 6.564 -3.485 10.026 1.00 0.50 H new ATOM 0 HB2 ASP B 35 6.185 -3.075 12.986 1.00 24.13 H new ATOM 0 HB3 ASP B 35 6.180 -1.740 11.850 1.00 24.13 H new ATOM 2392 N LYS B 36 9.284 -3.610 11.762 1.00 72.43 N ATOM 2393 CA LYS B 36 10.719 -3.235 11.805 1.00 24.04 C ATOM 2394 C LYS B 36 11.400 -3.693 10.550 1.00 33.40 C ATOM 2395 O LYS B 36 12.506 -3.269 10.229 1.00 3.54 O ATOM 2396 CB LYS B 36 11.391 -3.884 13.009 1.00 52.52 C ATOM 2397 CG LYS B 36 10.910 -3.363 14.348 1.00 33.25 C ATOM 2398 CD LYS B 36 11.421 -4.219 15.500 1.00 74.44 C ATOM 2399 CE LYS B 36 12.929 -4.317 15.523 1.00 14.34 C ATOM 2400 NZ LYS B 36 13.391 -5.230 16.580 1.00 21.10 N ATOM 0 H LYS B 36 9.060 -4.423 12.336 1.00 72.43 H new ATOM 0 HA LYS B 36 10.798 -2.151 11.889 1.00 24.04 H new ATOM 0 HB2 LYS B 36 11.221 -4.960 12.969 1.00 52.52 H new ATOM 0 HB3 LYS B 36 12.467 -3.728 12.937 1.00 52.52 H new ATOM 0 HG2 LYS B 36 11.246 -2.335 14.481 1.00 33.25 H new ATOM 0 HG3 LYS B 36 9.820 -3.346 14.362 1.00 33.25 H new ATOM 0 HD2 LYS B 36 11.073 -3.798 16.443 1.00 74.44 H new ATOM 0 HD3 LYS B 36 10.996 -5.220 15.421 1.00 74.44 H new ATOM 0 HE2 LYS B 36 13.287 -4.667 14.555 1.00 14.34 H new ATOM 0 HE3 LYS B 36 13.357 -3.327 15.682 1.00 14.34 H new ATOM 0 HZ1 LYS B 36 14.294 -5.660 16.297 1.00 21.10 H new ATOM 0 HZ2 LYS B 36 13.523 -4.699 17.464 1.00 21.10 H new ATOM 0 HZ3 LYS B 36 12.683 -5.977 16.727 1.00 21.10 H new ATOM 2414 N ARG B 37 10.736 -4.556 9.844 1.00 22.33 N ATOM 2415 CA ARG B 37 11.240 -5.095 8.631 1.00 22.33 C ATOM 2416 C ARG B 37 10.438 -4.526 7.468 1.00 70.45 C ATOM 2417 O ARG B 37 10.507 -5.003 6.347 1.00 33.21 O ATOM 2418 CB ARG B 37 11.171 -6.612 8.702 1.00 42.43 C ATOM 2419 CG ARG B 37 11.908 -7.138 9.917 1.00 51.12 C ATOM 2420 CD ARG B 37 11.790 -8.624 10.103 1.00 51.11 C ATOM 2421 NE ARG B 37 12.353 -9.016 11.405 1.00 44.13 N ATOM 2422 CZ ARG B 37 12.677 -10.256 11.775 1.00 63.22 C ATOM 2423 NH1 ARG B 37 12.608 -11.251 10.907 1.00 74.52 N ATOM 2424 NH2 ARG B 37 13.079 -10.490 13.015 1.00 72.40 N ATOM 0 H ARG B 37 9.814 -4.907 10.104 1.00 22.33 H new ATOM 0 HA ARG B 37 12.283 -4.820 8.476 1.00 22.33 H new ATOM 0 HB2 ARG B 37 10.129 -6.930 8.740 1.00 42.43 H new ATOM 0 HB3 ARG B 37 11.603 -7.041 7.798 1.00 42.43 H new ATOM 0 HG2 ARG B 37 12.962 -6.875 9.833 1.00 51.12 H new ATOM 0 HG3 ARG B 37 11.525 -6.639 10.807 1.00 51.12 H new ATOM 0 HD2 ARG B 37 10.744 -8.924 10.045 1.00 51.11 H new ATOM 0 HD3 ARG B 37 12.315 -9.142 9.300 1.00 51.11 H new ATOM 0 HE ARG B 37 12.510 -8.273 12.086 1.00 44.13 H new ATOM 0 HH11 ARG B 37 12.306 -11.072 9.949 1.00 74.52 H new ATOM 0 HH12 ARG B 37 12.857 -12.197 11.195 1.00 74.52 H new ATOM 0 HH21 ARG B 37 13.140 -9.723 13.685 1.00 72.40 H new ATOM 0 HH22 ARG B 37 13.327 -11.437 13.300 1.00 72.40 H new ATOM 2438 N SER B 38 9.688 -3.484 7.761 1.00 30.01 N ATOM 2439 CA SER B 38 8.934 -2.777 6.769 1.00 64.35 C ATOM 2440 C SER B 38 9.644 -1.481 6.362 1.00 52.20 C ATOM 2441 O SER B 38 10.386 -0.870 7.155 1.00 71.21 O ATOM 2442 CB SER B 38 7.550 -2.438 7.304 1.00 65.22 C ATOM 2443 OG SER B 38 6.832 -3.597 7.674 1.00 12.41 O ATOM 0 H SER B 38 9.590 -3.108 8.704 1.00 30.01 H new ATOM 0 HA SER B 38 8.844 -3.422 5.895 1.00 64.35 H new ATOM 0 HB2 SER B 38 7.645 -1.779 8.167 1.00 65.22 H new ATOM 0 HB3 SER B 38 6.991 -1.891 6.545 1.00 65.22 H new ATOM 0 HG SER B 38 7.391 -4.158 8.252 1.00 12.41 H new ATOM 2449 N VAL B 39 9.374 -1.051 5.163 1.00 4.23 N ATOM 2450 CA VAL B 39 9.932 0.162 4.625 1.00 13.24 C ATOM 2451 C VAL B 39 8.841 0.966 3.981 1.00 54.05 C ATOM 2452 O VAL B 39 7.769 0.443 3.701 1.00 3.30 O ATOM 2453 CB VAL B 39 11.079 -0.062 3.583 1.00 20.44 C ATOM 2454 CG1 VAL B 39 12.259 -0.766 4.202 1.00 55.35 C ATOM 2455 CG2 VAL B 39 10.586 -0.827 2.367 1.00 61.24 C ATOM 0 H VAL B 39 8.751 -1.539 4.520 1.00 4.23 H new ATOM 0 HA VAL B 39 10.379 0.688 5.468 1.00 13.24 H new ATOM 0 HB VAL B 39 11.406 0.925 3.254 1.00 20.44 H new ATOM 0 HG11 VAL B 39 13.036 -0.905 3.450 1.00 55.35 H new ATOM 0 HG12 VAL B 39 12.652 -0.165 5.022 1.00 55.35 H new ATOM 0 HG13 VAL B 39 11.944 -1.738 4.582 1.00 55.35 H new ATOM 0 HG21 VAL B 39 11.409 -0.964 1.665 1.00 61.24 H new ATOM 0 HG22 VAL B 39 10.209 -1.801 2.678 1.00 61.24 H new ATOM 0 HG23 VAL B 39 9.786 -0.266 1.884 1.00 61.24 H new ATOM 2465 N TYR B 40 9.124 2.194 3.751 1.00 3.01 N ATOM 2466 CA TYR B 40 8.257 3.120 3.101 1.00 3.34 C ATOM 2467 C TYR B 40 8.851 3.437 1.770 1.00 63.43 C ATOM 2468 O TYR B 40 10.014 3.819 1.688 1.00 70.53 O ATOM 2469 CB TYR B 40 8.126 4.408 3.928 1.00 55.42 C ATOM 2470 CG TYR B 40 7.562 5.594 3.154 1.00 22.54 C ATOM 2471 CD1 TYR B 40 6.211 5.713 2.877 1.00 35.41 C ATOM 2472 CD2 TYR B 40 8.410 6.595 2.699 1.00 33.40 C ATOM 2473 CE1 TYR B 40 5.724 6.793 2.168 1.00 21.33 C ATOM 2474 CE2 TYR B 40 7.946 7.670 2.002 1.00 73.42 C ATOM 2475 CZ TYR B 40 6.594 7.772 1.734 1.00 32.32 C ATOM 2476 OH TYR B 40 6.103 8.858 1.036 1.00 60.43 O ATOM 0 H TYR B 40 10.015 2.609 4.024 1.00 3.01 H new ATOM 0 HA TYR B 40 7.263 2.687 2.991 1.00 3.34 H new ATOM 0 HB2 TYR B 40 7.484 4.211 4.787 1.00 55.42 H new ATOM 0 HB3 TYR B 40 9.108 4.677 4.318 1.00 55.42 H new ATOM 0 HD1 TYR B 40 5.528 4.950 3.220 1.00 35.41 H new ATOM 0 HD2 TYR B 40 9.468 6.519 2.903 1.00 33.40 H new ATOM 0 HE1 TYR B 40 4.668 6.871 1.954 1.00 21.33 H new ATOM 0 HE2 TYR B 40 8.628 8.435 1.662 1.00 73.42 H new ATOM 0 HH TYR B 40 6.842 9.458 0.802 1.00 60.43 H new ATOM 2486 N VAL B 41 8.097 3.236 0.752 1.00 13.12 N ATOM 2487 CA VAL B 41 8.489 3.525 -0.587 1.00 13.01 C ATOM 2488 C VAL B 41 7.481 4.480 -1.169 1.00 53.24 C ATOM 2489 O VAL B 41 6.351 4.092 -1.402 1.00 61.03 O ATOM 2490 CB VAL B 41 8.445 2.240 -1.427 1.00 73.31 C ATOM 2491 CG1 VAL B 41 8.877 2.485 -2.869 1.00 41.10 C ATOM 2492 CG2 VAL B 41 9.266 1.144 -0.779 1.00 23.05 C ATOM 0 H VAL B 41 7.155 2.852 0.826 1.00 13.12 H new ATOM 0 HA VAL B 41 9.495 3.944 -0.593 1.00 13.01 H new ATOM 0 HB VAL B 41 7.408 1.907 -1.462 1.00 73.31 H new ATOM 0 HG11 VAL B 41 8.831 1.550 -3.427 1.00 41.10 H new ATOM 0 HG12 VAL B 41 8.211 3.215 -3.329 1.00 41.10 H new ATOM 0 HG13 VAL B 41 9.898 2.866 -2.883 1.00 41.10 H new ATOM 0 HG21 VAL B 41 9.220 0.244 -1.392 1.00 23.05 H new ATOM 0 HG22 VAL B 41 10.302 1.470 -0.690 1.00 23.05 H new ATOM 0 HG23 VAL B 41 8.867 0.929 0.212 1.00 23.05 H new ATOM 2502 N GLY B 42 7.832 5.711 -1.404 1.00 14.12 N ATOM 2503 CA GLY B 42 6.804 6.557 -1.906 1.00 63.44 C ATOM 2504 C GLY B 42 7.162 7.417 -3.068 1.00 34.23 C ATOM 2505 O GLY B 42 8.023 8.286 -2.955 1.00 50.20 O ATOM 0 H GLY B 42 8.754 6.125 -1.267 1.00 14.12 H new ATOM 0 HA2 GLY B 42 5.957 5.933 -2.191 1.00 63.44 H new ATOM 0 HA3 GLY B 42 6.466 7.202 -1.095 1.00 63.44 H new ATOM 2509 N ASN B 43 6.586 7.044 -4.224 1.00 1.11 N ATOM 2510 CA ASN B 43 6.364 7.921 -5.416 1.00 53.34 C ATOM 2511 C ASN B 43 6.001 7.018 -6.611 1.00 4.44 C ATOM 2512 O ASN B 43 6.180 7.371 -7.763 1.00 70.12 O ATOM 2513 CB ASN B 43 7.596 8.815 -5.750 1.00 65.15 C ATOM 2514 CG ASN B 43 7.294 9.897 -6.799 1.00 11.32 C ATOM 2515 OD1 ASN B 43 6.144 10.321 -6.967 1.00 53.43 O ATOM 2516 ND2 ASN B 43 8.314 10.394 -7.447 1.00 75.21 N ATOM 0 H ASN B 43 6.246 6.094 -4.372 1.00 1.11 H new ATOM 0 HA ASN B 43 5.551 8.612 -5.193 1.00 53.34 H new ATOM 0 HB2 ASN B 43 7.948 9.293 -4.836 1.00 65.15 H new ATOM 0 HB3 ASN B 43 8.407 8.183 -6.112 1.00 65.15 H new ATOM 0 HD21 ASN B 43 8.174 11.153 -8.113 1.00 75.21 H new ATOM 0 HD22 ASN B 43 9.250 10.023 -7.286 1.00 75.21 H new ATOM 2523 N VAL B 44 5.435 5.855 -6.292 1.00 23.22 N ATOM 2524 CA VAL B 44 5.040 4.879 -7.307 1.00 52.21 C ATOM 2525 C VAL B 44 3.847 5.409 -8.103 1.00 2.14 C ATOM 2526 O VAL B 44 2.932 6.011 -7.548 1.00 63.02 O ATOM 2527 CB VAL B 44 4.750 3.459 -6.691 1.00 70.34 C ATOM 2528 CG1 VAL B 44 3.600 3.474 -5.704 1.00 13.00 C ATOM 2529 CG2 VAL B 44 4.519 2.419 -7.776 1.00 75.03 C ATOM 0 H VAL B 44 5.239 5.565 -5.334 1.00 23.22 H new ATOM 0 HA VAL B 44 5.879 4.743 -7.989 1.00 52.21 H new ATOM 0 HB VAL B 44 5.644 3.179 -6.133 1.00 70.34 H new ATOM 0 HG11 VAL B 44 3.445 2.469 -5.311 1.00 13.00 H new ATOM 0 HG12 VAL B 44 3.834 4.152 -4.883 1.00 13.00 H new ATOM 0 HG13 VAL B 44 2.693 3.811 -6.207 1.00 13.00 H new ATOM 0 HG21 VAL B 44 4.322 1.451 -7.316 1.00 75.03 H new ATOM 0 HG22 VAL B 44 3.664 2.712 -8.385 1.00 75.03 H new ATOM 0 HG23 VAL B 44 5.406 2.347 -8.406 1.00 75.03 H new ATOM 2539 N ASP B 45 3.911 5.243 -9.392 1.00 5.35 N ATOM 2540 CA ASP B 45 2.885 5.733 -10.291 1.00 31.41 C ATOM 2541 C ASP B 45 2.123 4.574 -10.926 1.00 23.12 C ATOM 2542 O ASP B 45 2.563 3.409 -10.847 1.00 63.52 O ATOM 2543 CB ASP B 45 3.524 6.671 -11.352 1.00 4.30 C ATOM 2544 CG ASP B 45 2.557 7.212 -12.403 1.00 42.50 C ATOM 2545 OD1 ASP B 45 1.455 7.676 -12.039 1.00 61.50 O ATOM 2546 OD2 ASP B 45 2.904 7.183 -13.601 1.00 3.31 O ATOM 0 H ASP B 45 4.678 4.762 -9.861 1.00 5.35 H new ATOM 0 HA ASP B 45 2.156 6.315 -9.727 1.00 31.41 H new ATOM 0 HB2 ASP B 45 3.987 7.514 -10.838 1.00 4.30 H new ATOM 0 HB3 ASP B 45 4.322 6.130 -11.859 1.00 4.30 H new ATOM 2551 N TYR B 46 1.008 4.894 -11.548 1.00 5.31 N ATOM 2552 CA TYR B 46 0.158 3.908 -12.187 1.00 15.11 C ATOM 2553 C TYR B 46 0.845 3.353 -13.394 1.00 4.23 C ATOM 2554 O TYR B 46 0.916 3.991 -14.450 1.00 73.40 O ATOM 2555 CB TYR B 46 -1.210 4.469 -12.538 1.00 53.25 C ATOM 2556 CG TYR B 46 -2.145 4.602 -11.373 1.00 13.22 C ATOM 2557 CD1 TYR B 46 -1.790 5.299 -10.226 1.00 34.34 C ATOM 2558 CD2 TYR B 46 -3.405 4.037 -11.432 1.00 52.43 C ATOM 2559 CE1 TYR B 46 -2.665 5.426 -9.176 1.00 10.13 C ATOM 2560 CE2 TYR B 46 -4.284 4.153 -10.391 1.00 72.21 C ATOM 2561 CZ TYR B 46 -3.913 4.848 -9.258 1.00 32.23 C ATOM 2562 OH TYR B 46 -4.803 5.005 -8.226 1.00 24.43 O ATOM 0 H TYR B 46 0.663 5.851 -11.626 1.00 5.31 H new ATOM 0 HA TYR B 46 -0.015 3.101 -11.476 1.00 15.11 H new ATOM 0 HB2 TYR B 46 -1.080 5.449 -12.997 1.00 53.25 H new ATOM 0 HB3 TYR B 46 -1.672 3.825 -13.287 1.00 53.25 H new ATOM 0 HD1 TYR B 46 -0.810 5.748 -10.159 1.00 34.34 H new ATOM 0 HD2 TYR B 46 -3.701 3.494 -12.317 1.00 52.43 H new ATOM 0 HE1 TYR B 46 -2.377 5.975 -8.292 1.00 10.13 H new ATOM 0 HE2 TYR B 46 -5.264 3.703 -10.455 1.00 72.21 H new ATOM 0 HH TYR B 46 -5.479 4.296 -8.266 1.00 24.43 H new ATOM 2572 N GLY B 47 1.373 2.197 -13.220 1.00 13.12 N ATOM 2573 CA GLY B 47 2.140 1.560 -14.221 1.00 43.02 C ATOM 2574 C GLY B 47 3.001 0.518 -13.591 1.00 43.34 C ATOM 2575 O GLY B 47 3.262 -0.531 -14.181 1.00 22.30 O ATOM 0 H GLY B 47 1.281 1.658 -12.359 1.00 13.12 H new ATOM 0 HA2 GLY B 47 1.485 1.106 -14.964 1.00 43.02 H new ATOM 0 HA3 GLY B 47 2.757 2.291 -14.744 1.00 43.02 H new ATOM 2579 N SER B 48 3.438 0.796 -12.377 1.00 73.04 N ATOM 2580 CA SER B 48 4.195 -0.147 -11.640 1.00 62.13 C ATOM 2581 C SER B 48 3.241 -0.987 -10.819 1.00 42.54 C ATOM 2582 O SER B 48 2.310 -0.461 -10.194 1.00 4.53 O ATOM 2583 CB SER B 48 5.158 0.582 -10.745 1.00 42.33 C ATOM 2584 OG SER B 48 5.919 1.490 -11.503 1.00 12.05 O ATOM 0 H SER B 48 3.270 1.679 -11.894 1.00 73.04 H new ATOM 0 HA SER B 48 4.763 -0.793 -12.309 1.00 62.13 H new ATOM 0 HB2 SER B 48 4.613 1.113 -9.965 1.00 42.33 H new ATOM 0 HB3 SER B 48 5.815 -0.130 -10.246 1.00 42.33 H new ATOM 0 HG SER B 48 6.397 1.007 -12.209 1.00 12.05 H new ATOM 2590 N THR B 49 3.452 -2.253 -10.824 1.00 31.02 N ATOM 2591 CA THR B 49 2.600 -3.161 -10.135 1.00 52.23 C ATOM 2592 C THR B 49 3.280 -3.655 -8.879 1.00 52.35 C ATOM 2593 O THR B 49 4.427 -3.284 -8.599 1.00 1.25 O ATOM 2594 CB THR B 49 2.262 -4.367 -11.021 1.00 10.33 C ATOM 2595 OG1 THR B 49 3.474 -5.070 -11.372 1.00 12.25 O ATOM 2596 CG2 THR B 49 1.550 -3.927 -12.290 1.00 21.11 C ATOM 0 H THR B 49 4.230 -2.697 -11.312 1.00 31.02 H new ATOM 0 HA THR B 49 1.681 -2.634 -9.879 1.00 52.23 H new ATOM 0 HB THR B 49 1.600 -5.027 -10.460 1.00 10.33 H new ATOM 0 HG1 THR B 49 3.930 -4.594 -12.098 1.00 12.25 H new ATOM 0 HG21 THR B 49 1.322 -4.801 -12.901 1.00 21.11 H new ATOM 0 HG22 THR B 49 0.624 -3.415 -12.029 1.00 21.11 H new ATOM 0 HG23 THR B 49 2.193 -3.250 -12.852 1.00 21.11 H new ATOM 2604 N ALA B 50 2.588 -4.492 -8.125 1.00 61.02 N ATOM 2605 CA ALA B 50 3.141 -5.123 -6.950 1.00 3.33 C ATOM 2606 C ALA B 50 4.328 -5.997 -7.386 1.00 50.23 C ATOM 2607 O ALA B 50 5.385 -6.006 -6.755 1.00 44.33 O ATOM 2608 CB ALA B 50 2.035 -5.960 -6.313 1.00 24.15 C ATOM 0 H ALA B 50 1.620 -4.751 -8.317 1.00 61.02 H new ATOM 0 HA ALA B 50 3.500 -4.395 -6.222 1.00 3.33 H new ATOM 0 HB1 ALA B 50 2.420 -6.452 -5.420 1.00 24.15 H new ATOM 0 HB2 ALA B 50 1.201 -5.314 -6.040 1.00 24.15 H new ATOM 0 HB3 ALA B 50 1.693 -6.713 -7.023 1.00 24.15 H new ATOM 2614 N GLN B 51 4.130 -6.697 -8.498 1.00 2.30 N ATOM 2615 CA GLN B 51 5.163 -7.516 -9.137 1.00 32.23 C ATOM 2616 C GLN B 51 6.408 -6.666 -9.513 1.00 74.11 C ATOM 2617 O GLN B 51 7.545 -7.140 -9.433 1.00 23.13 O ATOM 2618 CB GLN B 51 4.535 -8.202 -10.371 1.00 73.51 C ATOM 2619 CG GLN B 51 5.460 -9.051 -11.226 1.00 72.24 C ATOM 2620 CD GLN B 51 6.158 -10.156 -10.476 1.00 51.11 C ATOM 2621 OE1 GLN B 51 7.260 -9.980 -9.968 1.00 72.14 O ATOM 2622 NE2 GLN B 51 5.542 -11.287 -10.399 1.00 74.32 N ATOM 0 H GLN B 51 3.237 -6.714 -8.990 1.00 2.30 H new ATOM 0 HA GLN B 51 5.519 -8.277 -8.443 1.00 32.23 H new ATOM 0 HB2 GLN B 51 3.715 -8.833 -10.029 1.00 73.51 H new ATOM 0 HB3 GLN B 51 4.100 -7.429 -11.005 1.00 73.51 H new ATOM 0 HG2 GLN B 51 4.883 -9.489 -12.040 1.00 72.24 H new ATOM 0 HG3 GLN B 51 6.211 -8.405 -11.680 1.00 72.24 H new ATOM 0 HE21 GLN B 51 4.626 -11.399 -10.833 1.00 74.32 H new ATOM 0 HE22 GLN B 51 5.971 -12.069 -9.904 1.00 74.32 H new ATOM 2631 N ASP B 52 6.191 -5.421 -9.912 1.00 75.40 N ATOM 2632 CA ASP B 52 7.325 -4.512 -10.206 1.00 20.43 C ATOM 2633 C ASP B 52 8.047 -4.145 -8.939 1.00 10.31 C ATOM 2634 O ASP B 52 9.286 -4.114 -8.894 1.00 63.12 O ATOM 2635 CB ASP B 52 6.895 -3.229 -10.935 1.00 41.04 C ATOM 2636 CG ASP B 52 6.388 -3.479 -12.320 1.00 74.33 C ATOM 2637 OD1 ASP B 52 7.191 -3.665 -13.233 1.00 4.13 O ATOM 2638 OD2 ASP B 52 5.182 -3.486 -12.520 1.00 41.34 O ATOM 0 H ASP B 52 5.267 -5.010 -10.042 1.00 75.40 H new ATOM 0 HA ASP B 52 7.990 -5.061 -10.873 1.00 20.43 H new ATOM 0 HB2 ASP B 52 6.117 -2.733 -10.355 1.00 41.04 H new ATOM 0 HB3 ASP B 52 7.742 -2.545 -10.983 1.00 41.04 H new ATOM 2643 N LEU B 53 7.278 -3.892 -7.908 1.00 51.11 N ATOM 2644 CA LEU B 53 7.812 -3.522 -6.618 1.00 73.22 C ATOM 2645 C LEU B 53 8.636 -4.626 -6.003 1.00 13.51 C ATOM 2646 O LEU B 53 9.764 -4.367 -5.546 1.00 4.13 O ATOM 2647 CB LEU B 53 6.681 -3.101 -5.695 1.00 42.14 C ATOM 2648 CG LEU B 53 6.074 -1.746 -6.004 1.00 13.33 C ATOM 2649 CD1 LEU B 53 4.762 -1.579 -5.264 1.00 1.11 C ATOM 2650 CD2 LEU B 53 7.051 -0.658 -5.577 1.00 4.22 C ATOM 0 H LEU B 53 6.259 -3.937 -7.939 1.00 51.11 H new ATOM 0 HA LEU B 53 8.486 -2.678 -6.763 1.00 73.22 H new ATOM 0 HB2 LEU B 53 5.894 -3.854 -5.742 1.00 42.14 H new ATOM 0 HB3 LEU B 53 7.053 -3.091 -4.670 1.00 42.14 H new ATOM 0 HG LEU B 53 5.880 -1.670 -7.074 1.00 13.33 H new ATOM 0 HD11 LEU B 53 4.336 -0.602 -5.494 1.00 1.11 H new ATOM 0 HD12 LEU B 53 4.067 -2.360 -5.574 1.00 1.11 H new ATOM 0 HD13 LEU B 53 4.937 -1.655 -4.191 1.00 1.11 H new ATOM 0 HD21 LEU B 53 6.624 0.321 -5.795 1.00 4.22 H new ATOM 0 HD22 LEU B 53 7.242 -0.740 -4.507 1.00 4.22 H new ATOM 0 HD23 LEU B 53 7.987 -0.775 -6.123 1.00 4.22 H new ATOM 2662 N GLU B 54 8.117 -5.854 -5.996 1.00 23.20 N ATOM 2663 CA GLU B 54 8.881 -6.956 -5.471 1.00 14.40 C ATOM 2664 C GLU B 54 10.168 -7.192 -6.188 1.00 34.12 C ATOM 2665 O GLU B 54 11.156 -7.331 -5.554 1.00 13.32 O ATOM 2666 CB GLU B 54 8.117 -8.253 -5.344 1.00 43.42 C ATOM 2667 CG GLU B 54 7.031 -8.247 -4.305 1.00 12.43 C ATOM 2668 CD GLU B 54 6.619 -9.646 -3.978 1.00 23.52 C ATOM 2669 OE1 GLU B 54 7.321 -10.305 -3.181 1.00 41.23 O ATOM 2670 OE2 GLU B 54 5.636 -10.139 -4.529 1.00 13.24 O ATOM 0 H GLU B 54 7.189 -6.096 -6.343 1.00 23.20 H new ATOM 0 HA GLU B 54 9.112 -6.622 -4.460 1.00 14.40 H new ATOM 0 HB2 GLU B 54 7.674 -8.493 -6.311 1.00 43.42 H new ATOM 0 HB3 GLU B 54 8.821 -9.051 -5.109 1.00 43.42 H new ATOM 0 HG2 GLU B 54 7.383 -7.744 -3.404 1.00 12.43 H new ATOM 0 HG3 GLU B 54 6.172 -7.683 -4.670 1.00 12.43 H new ATOM 2677 N ALA B 55 10.156 -7.219 -7.505 1.00 55.44 N ATOM 2678 CA ALA B 55 11.395 -7.464 -8.268 1.00 22.42 C ATOM 2679 C ALA B 55 12.479 -6.445 -7.873 1.00 50.53 C ATOM 2680 O ALA B 55 13.634 -6.824 -7.519 1.00 71.23 O ATOM 2681 CB ALA B 55 11.107 -7.372 -9.759 1.00 60.51 C ATOM 0 H ALA B 55 9.323 -7.078 -8.076 1.00 55.44 H new ATOM 0 HA ALA B 55 11.761 -8.464 -8.036 1.00 22.42 H new ATOM 0 HB1 ALA B 55 12.025 -7.554 -10.319 1.00 60.51 H new ATOM 0 HB2 ALA B 55 10.361 -8.119 -10.032 1.00 60.51 H new ATOM 0 HB3 ALA B 55 10.728 -6.378 -9.996 1.00 60.51 H new ATOM 2687 N HIS B 56 12.093 -5.187 -7.847 1.00 64.52 N ATOM 2688 CA HIS B 56 13.019 -4.113 -7.548 1.00 63.15 C ATOM 2689 C HIS B 56 13.555 -4.240 -6.108 1.00 1.13 C ATOM 2690 O HIS B 56 14.734 -4.030 -5.860 1.00 24.45 O ATOM 2691 CB HIS B 56 12.335 -2.754 -7.772 1.00 74.13 C ATOM 2692 CG HIS B 56 13.253 -1.564 -7.707 1.00 73.33 C ATOM 2693 ND1 HIS B 56 13.784 -0.979 -8.824 1.00 55.45 N ATOM 2694 CD2 HIS B 56 13.706 -0.836 -6.661 1.00 21.14 C ATOM 2695 CE1 HIS B 56 14.516 0.049 -8.482 1.00 50.14 C ATOM 2696 NE2 HIS B 56 14.494 0.166 -7.172 1.00 14.04 N ATOM 0 H HIS B 56 11.138 -4.881 -8.031 1.00 64.52 H new ATOM 0 HA HIS B 56 13.872 -4.183 -8.223 1.00 63.15 H new ATOM 0 HB2 HIS B 56 11.847 -2.765 -8.747 1.00 74.13 H new ATOM 0 HB3 HIS B 56 11.551 -2.631 -7.025 1.00 74.13 H new ATOM 0 HD2 HIS B 56 13.488 -1.010 -5.618 1.00 21.14 H new ATOM 0 HE1 HIS B 56 15.050 0.695 -9.163 1.00 50.14 H new ATOM 0 HE2 HIS B 56 14.980 0.879 -6.628 1.00 14.04 H new ATOM 2705 N PHE B 57 12.681 -4.577 -5.172 1.00 63.40 N ATOM 2706 CA PHE B 57 13.069 -4.747 -3.776 1.00 2.00 C ATOM 2707 C PHE B 57 13.667 -6.097 -3.439 1.00 64.52 C ATOM 2708 O PHE B 57 14.381 -6.233 -2.453 1.00 64.34 O ATOM 2709 CB PHE B 57 11.989 -4.325 -2.806 1.00 71.30 C ATOM 2710 CG PHE B 57 11.904 -2.850 -2.699 1.00 13.43 C ATOM 2711 CD1 PHE B 57 12.823 -2.178 -1.935 1.00 21.21 C ATOM 2712 CD2 PHE B 57 10.943 -2.129 -3.363 1.00 24.30 C ATOM 2713 CE1 PHE B 57 12.789 -0.815 -1.830 1.00 61.11 C ATOM 2714 CE2 PHE B 57 10.909 -0.759 -3.263 1.00 33.14 C ATOM 2715 CZ PHE B 57 11.832 -0.106 -2.495 1.00 53.13 C ATOM 0 H PHE B 57 11.691 -4.740 -5.354 1.00 63.40 H new ATOM 0 HA PHE B 57 13.895 -4.048 -3.645 1.00 2.00 H new ATOM 0 HB2 PHE B 57 11.029 -4.723 -3.133 1.00 71.30 H new ATOM 0 HB3 PHE B 57 12.193 -4.751 -1.824 1.00 71.30 H new ATOM 0 HD1 PHE B 57 13.585 -2.733 -1.408 1.00 21.21 H new ATOM 0 HD2 PHE B 57 10.209 -2.642 -3.968 1.00 24.30 H new ATOM 0 HE1 PHE B 57 13.518 -0.301 -1.222 1.00 61.11 H new ATOM 0 HE2 PHE B 57 10.153 -0.198 -3.792 1.00 33.14 H new ATOM 0 HZ PHE B 57 11.804 0.971 -2.415 1.00 53.13 H new ATOM 2725 N SER B 58 13.380 -7.080 -4.255 1.00 54.24 N ATOM 2726 CA SER B 58 13.839 -8.438 -4.041 1.00 11.40 C ATOM 2727 C SER B 58 15.331 -8.494 -4.188 1.00 63.11 C ATOM 2728 O SER B 58 15.987 -9.351 -3.586 1.00 25.42 O ATOM 2729 CB SER B 58 13.159 -9.422 -5.010 1.00 25.23 C ATOM 2730 OG SER B 58 13.612 -10.761 -4.816 1.00 71.03 O ATOM 0 H SER B 58 12.816 -6.963 -5.097 1.00 54.24 H new ATOM 0 HA SER B 58 13.566 -8.739 -3.030 1.00 11.40 H new ATOM 0 HB2 SER B 58 12.079 -9.381 -4.870 1.00 25.23 H new ATOM 0 HB3 SER B 58 13.359 -9.117 -6.037 1.00 25.23 H new ATOM 0 HG SER B 58 13.156 -11.355 -5.448 1.00 71.03 H new ATOM 2736 N SER B 59 15.879 -7.585 -4.996 1.00 73.13 N ATOM 2737 CA SER B 59 17.314 -7.449 -5.108 1.00 35.42 C ATOM 2738 C SER B 59 17.932 -7.132 -3.720 1.00 52.14 C ATOM 2739 O SER B 59 19.053 -7.538 -3.418 1.00 11.01 O ATOM 2740 CB SER B 59 17.617 -6.314 -6.084 1.00 34.42 C ATOM 2741 OG SER B 59 16.948 -6.534 -7.323 1.00 12.43 O ATOM 0 H SER B 59 15.345 -6.939 -5.577 1.00 73.13 H new ATOM 0 HA SER B 59 17.747 -8.381 -5.471 1.00 35.42 H new ATOM 0 HB2 SER B 59 17.300 -5.363 -5.656 1.00 34.42 H new ATOM 0 HB3 SER B 59 18.692 -6.246 -6.251 1.00 34.42 H new ATOM 0 HG SER B 59 17.149 -5.799 -7.939 1.00 12.43 H new ATOM 2747 N CYS B 60 17.172 -6.426 -2.886 1.00 64.24 N ATOM 2748 CA CYS B 60 17.623 -6.036 -1.565 1.00 4.11 C ATOM 2749 C CYS B 60 17.246 -7.052 -0.466 1.00 5.14 C ATOM 2750 O CYS B 60 17.574 -6.844 0.701 1.00 12.02 O ATOM 2751 CB CYS B 60 17.068 -4.657 -1.211 1.00 24.12 C ATOM 2752 SG CYS B 60 17.562 -3.344 -2.351 1.00 23.43 S ATOM 0 H CYS B 60 16.228 -6.112 -3.112 1.00 64.24 H new ATOM 0 HA CYS B 60 18.712 -6.006 -1.603 1.00 4.11 H new ATOM 0 HB2 CYS B 60 15.980 -4.711 -1.187 1.00 24.12 H new ATOM 0 HB3 CYS B 60 17.397 -4.393 -0.206 1.00 24.12 H new ATOM 0 HG CYS B 60 18.301 -2.479 -1.722 1.00 23.43 H new ATOM 2758 N GLY B 61 16.607 -8.154 -0.819 1.00 35.35 N ATOM 2759 CA GLY B 61 16.269 -9.110 0.221 1.00 21.23 C ATOM 2760 C GLY B 61 15.047 -9.961 -0.022 1.00 1.30 C ATOM 2761 O GLY B 61 14.593 -10.132 -1.166 1.00 34.12 O ATOM 0 H GLY B 61 16.324 -8.402 -1.767 1.00 35.35 H new ATOM 0 HA2 GLY B 61 17.123 -9.772 0.367 1.00 21.23 H new ATOM 0 HA3 GLY B 61 16.125 -8.564 1.153 1.00 21.23 H new ATOM 2765 N SER B 62 14.510 -10.491 1.062 1.00 75.51 N ATOM 2766 CA SER B 62 13.398 -11.408 1.022 1.00 55.53 C ATOM 2767 C SER B 62 12.119 -10.720 1.484 1.00 73.13 C ATOM 2768 O SER B 62 12.015 -10.297 2.641 1.00 1.32 O ATOM 2769 CB SER B 62 13.700 -12.579 1.940 1.00 54.21 C ATOM 2770 OG SER B 62 14.960 -13.149 1.623 1.00 50.03 O ATOM 0 H SER B 62 14.843 -10.290 2.005 1.00 75.51 H new ATOM 0 HA SER B 62 13.255 -11.754 -0.002 1.00 55.53 H new ATOM 0 HB2 SER B 62 13.696 -12.245 2.978 1.00 54.21 H new ATOM 0 HB3 SER B 62 12.919 -13.333 1.845 1.00 54.21 H new ATOM 0 HG SER B 62 15.628 -12.850 2.275 1.00 50.03 H new ATOM 2776 N ILE B 63 11.171 -10.610 0.597 1.00 42.30 N ATOM 2777 CA ILE B 63 9.913 -9.960 0.881 1.00 71.12 C ATOM 2778 C ILE B 63 8.901 -10.900 1.557 1.00 14.30 C ATOM 2779 O ILE B 63 8.720 -12.054 1.154 1.00 13.42 O ATOM 2780 CB ILE B 63 9.334 -9.308 -0.401 1.00 23.21 C ATOM 2781 CG1 ILE B 63 10.279 -8.183 -0.854 1.00 0.33 C ATOM 2782 CG2 ILE B 63 7.920 -8.779 -0.171 1.00 22.13 C ATOM 2783 CD1 ILE B 63 9.882 -7.505 -2.130 1.00 73.04 C ATOM 0 H ILE B 63 11.246 -10.971 -0.354 1.00 42.30 H new ATOM 0 HA ILE B 63 10.111 -9.168 1.603 1.00 71.12 H new ATOM 0 HB ILE B 63 9.263 -10.062 -1.184 1.00 23.21 H new ATOM 0 HG12 ILE B 63 10.335 -7.435 -0.064 1.00 0.33 H new ATOM 0 HG13 ILE B 63 11.281 -8.595 -0.974 1.00 0.33 H new ATOM 0 HG21 ILE B 63 7.546 -8.329 -1.091 1.00 22.13 H new ATOM 0 HG22 ILE B 63 7.267 -9.601 0.122 1.00 22.13 H new ATOM 0 HG23 ILE B 63 7.936 -8.029 0.620 1.00 22.13 H new ATOM 0 HD11 ILE B 63 10.607 -6.727 -2.369 1.00 73.04 H new ATOM 0 HD12 ILE B 63 9.855 -8.237 -2.938 1.00 73.04 H new ATOM 0 HD13 ILE B 63 8.895 -7.058 -2.013 1.00 73.04 H new ATOM 2795 N ASN B 64 8.307 -10.395 2.620 1.00 43.43 N ATOM 2796 CA ASN B 64 7.299 -11.109 3.400 1.00 31.54 C ATOM 2797 C ASN B 64 5.907 -10.715 2.907 1.00 30.43 C ATOM 2798 O ASN B 64 5.079 -11.557 2.592 1.00 65.22 O ATOM 2799 CB ASN B 64 7.441 -10.725 4.885 1.00 52.41 C ATOM 2800 CG ASN B 64 6.597 -11.565 5.846 1.00 50.31 C ATOM 2801 OD1 ASN B 64 5.549 -12.095 5.497 1.00 4.43 O ATOM 2802 ND2 ASN B 64 7.056 -11.671 7.066 1.00 53.23 N ATOM 0 H ASN B 64 8.510 -9.461 2.977 1.00 43.43 H new ATOM 0 HA ASN B 64 7.438 -12.184 3.284 1.00 31.54 H new ATOM 0 HB2 ASN B 64 8.489 -10.814 5.171 1.00 52.41 H new ATOM 0 HB3 ASN B 64 7.166 -9.677 5.003 1.00 52.41 H new ATOM 0 HD21 ASN B 64 6.538 -12.208 7.761 1.00 53.23 H new ATOM 0 HD22 ASN B 64 7.932 -11.217 7.322 1.00 53.23 H new ATOM 2809 N ARG B 65 5.694 -9.423 2.789 1.00 22.03 N ATOM 2810 CA ARG B 65 4.403 -8.852 2.407 1.00 3.51 C ATOM 2811 C ARG B 65 4.637 -7.492 1.805 1.00 72.25 C ATOM 2812 O ARG B 65 5.704 -6.931 1.969 1.00 42.54 O ATOM 2813 CB ARG B 65 3.426 -8.706 3.618 1.00 50.04 C ATOM 2814 CG ARG B 65 3.044 -10.010 4.324 1.00 12.42 C ATOM 2815 CD ARG B 65 1.947 -9.803 5.365 1.00 2.54 C ATOM 2816 NE ARG B 65 2.351 -8.919 6.425 1.00 0.15 N ATOM 2817 CZ ARG B 65 1.548 -8.380 7.329 1.00 44.13 C ATOM 2818 NH1 ARG B 65 0.251 -8.692 7.371 1.00 62.44 N ATOM 2819 NH2 ARG B 65 2.039 -7.537 8.200 1.00 74.40 N ATOM 0 H ARG B 65 6.417 -8.723 2.956 1.00 22.03 H new ATOM 0 HA ARG B 65 3.939 -9.533 1.693 1.00 3.51 H new ATOM 0 HB2 ARG B 65 3.881 -8.038 4.350 1.00 50.04 H new ATOM 0 HB3 ARG B 65 2.514 -8.223 3.269 1.00 50.04 H new ATOM 0 HG2 ARG B 65 2.708 -10.737 3.584 1.00 12.42 H new ATOM 0 HG3 ARG B 65 3.926 -10.431 4.807 1.00 12.42 H new ATOM 0 HD2 ARG B 65 1.060 -9.398 4.877 1.00 2.54 H new ATOM 0 HD3 ARG B 65 1.666 -10.767 5.788 1.00 2.54 H new ATOM 0 HE ARG B 65 3.342 -8.687 6.486 1.00 0.15 H new ATOM 0 HH11 ARG B 65 -0.136 -9.355 6.700 1.00 62.44 H new ATOM 0 HH12 ARG B 65 -0.353 -8.267 8.074 1.00 62.44 H new ATOM 0 HH21 ARG B 65 3.031 -7.301 8.178 1.00 74.40 H new ATOM 0 HH22 ARG B 65 1.430 -7.115 8.901 1.00 74.40 H new ATOM 2833 N ILE B 66 3.661 -6.956 1.123 1.00 24.23 N ATOM 2834 CA ILE B 66 3.780 -5.611 0.584 1.00 51.44 C ATOM 2835 C ILE B 66 2.431 -4.949 0.618 1.00 33.41 C ATOM 2836 O ILE B 66 1.404 -5.606 0.454 1.00 32.22 O ATOM 2837 CB ILE B 66 4.398 -5.482 -0.867 1.00 44.23 C ATOM 2838 CG1 ILE B 66 3.531 -6.105 -1.942 1.00 71.11 C ATOM 2839 CG2 ILE B 66 5.805 -6.045 -0.944 1.00 11.54 C ATOM 2840 CD1 ILE B 66 4.113 -5.925 -3.330 1.00 41.31 C ATOM 0 H ILE B 66 2.775 -7.420 0.923 1.00 24.23 H new ATOM 0 HA ILE B 66 4.505 -5.114 1.229 1.00 51.44 H new ATOM 0 HB ILE B 66 4.442 -4.410 -1.061 1.00 44.23 H new ATOM 0 HG12 ILE B 66 3.411 -7.169 -1.737 1.00 71.11 H new ATOM 0 HG13 ILE B 66 2.537 -5.659 -1.907 1.00 71.11 H new ATOM 0 HG21 ILE B 66 6.186 -5.934 -1.959 1.00 11.54 H new ATOM 0 HG22 ILE B 66 6.451 -5.505 -0.252 1.00 11.54 H new ATOM 0 HG23 ILE B 66 5.789 -7.101 -0.676 1.00 11.54 H new ATOM 0 HD11 ILE B 66 3.454 -6.389 -4.064 1.00 41.31 H new ATOM 0 HD12 ILE B 66 4.209 -4.862 -3.549 1.00 41.31 H new ATOM 0 HD13 ILE B 66 5.096 -6.395 -3.376 1.00 41.31 H new ATOM 2852 N THR B 67 2.431 -3.687 0.868 1.00 74.33 N ATOM 2853 CA THR B 67 1.236 -2.906 0.922 1.00 64.51 C ATOM 2854 C THR B 67 1.412 -1.747 -0.040 1.00 54.33 C ATOM 2855 O THR B 67 2.386 -1.028 0.059 1.00 2.22 O ATOM 2856 CB THR B 67 1.015 -2.363 2.353 1.00 2.21 C ATOM 2857 OG1 THR B 67 0.997 -3.462 3.276 1.00 64.05 O ATOM 2858 CG2 THR B 67 -0.300 -1.602 2.455 1.00 20.34 C ATOM 0 H THR B 67 3.281 -3.152 1.046 1.00 74.33 H new ATOM 0 HA THR B 67 0.372 -3.513 0.652 1.00 64.51 H new ATOM 0 HB THR B 67 1.829 -1.678 2.592 1.00 2.21 H new ATOM 0 HG1 THR B 67 0.859 -3.123 4.185 1.00 64.05 H new ATOM 0 HG21 THR B 67 -0.428 -1.232 3.472 1.00 20.34 H new ATOM 0 HG22 THR B 67 -0.288 -0.761 1.762 1.00 20.34 H new ATOM 0 HG23 THR B 67 -1.126 -2.268 2.204 1.00 20.34 H new ATOM 2866 N ILE B 68 0.504 -1.566 -0.959 1.00 21.32 N ATOM 2867 CA ILE B 68 0.635 -0.502 -1.926 1.00 31.10 C ATOM 2868 C ILE B 68 -0.595 0.356 -1.801 1.00 20.45 C ATOM 2869 O ILE B 68 -1.695 -0.152 -1.899 1.00 2.42 O ATOM 2870 CB ILE B 68 0.683 -0.997 -3.425 1.00 15.02 C ATOM 2871 CG1 ILE B 68 1.611 -2.204 -3.656 1.00 74.21 C ATOM 2872 CG2 ILE B 68 1.089 0.141 -4.354 1.00 4.51 C ATOM 2873 CD1 ILE B 68 0.982 -3.536 -3.312 1.00 1.43 C ATOM 0 H ILE B 68 -0.334 -2.138 -1.062 1.00 21.32 H new ATOM 0 HA ILE B 68 1.573 0.011 -1.716 1.00 31.10 H new ATOM 0 HB ILE B 68 -0.329 -1.330 -3.654 1.00 15.02 H new ATOM 0 HG12 ILE B 68 1.919 -2.218 -4.701 1.00 74.21 H new ATOM 0 HG13 ILE B 68 2.514 -2.075 -3.059 1.00 74.21 H new ATOM 0 HG21 ILE B 68 1.116 -0.221 -5.382 1.00 4.51 H new ATOM 0 HG22 ILE B 68 0.365 0.952 -4.274 1.00 4.51 H new ATOM 0 HG23 ILE B 68 2.076 0.506 -4.072 1.00 4.51 H new ATOM 0 HD11 ILE B 68 1.698 -4.336 -3.502 1.00 1.43 H new ATOM 0 HD12 ILE B 68 0.699 -3.544 -2.259 1.00 1.43 H new ATOM 0 HD13 ILE B 68 0.095 -3.689 -3.927 1.00 1.43 H new ATOM 2885 N LEU B 69 -0.438 1.607 -1.541 1.00 34.30 N ATOM 2886 CA LEU B 69 -1.577 2.477 -1.491 1.00 44.30 C ATOM 2887 C LEU B 69 -1.461 3.607 -2.495 1.00 34.41 C ATOM 2888 O LEU B 69 -0.437 4.293 -2.568 1.00 0.14 O ATOM 2889 CB LEU B 69 -1.997 2.955 -0.064 1.00 21.14 C ATOM 2890 CG LEU B 69 -0.986 3.726 0.803 1.00 65.31 C ATOM 2891 CD1 LEU B 69 -1.704 4.288 2.025 1.00 63.51 C ATOM 2892 CD2 LEU B 69 0.119 2.794 1.287 1.00 40.53 C ATOM 0 H LEU B 69 0.460 2.056 -1.360 1.00 34.30 H new ATOM 0 HA LEU B 69 -2.419 1.855 -1.794 1.00 44.30 H new ATOM 0 HB2 LEU B 69 -2.879 3.586 -0.177 1.00 21.14 H new ATOM 0 HB3 LEU B 69 -2.305 2.074 0.499 1.00 21.14 H new ATOM 0 HG LEU B 69 -0.552 4.527 0.205 1.00 65.31 H new ATOM 0 HD11 LEU B 69 -0.994 4.836 2.644 1.00 63.51 H new ATOM 0 HD12 LEU B 69 -2.499 4.961 1.703 1.00 63.51 H new ATOM 0 HD13 LEU B 69 -2.134 3.470 2.603 1.00 63.51 H new ATOM 0 HD21 LEU B 69 0.826 3.355 1.899 1.00 40.53 H new ATOM 0 HD22 LEU B 69 -0.317 1.990 1.880 1.00 40.53 H new ATOM 0 HD23 LEU B 69 0.639 2.370 0.428 1.00 40.53 H new ATOM 2904 N CYS B 70 -2.475 3.776 -3.283 1.00 61.52 N ATOM 2905 CA CYS B 70 -2.512 4.808 -4.282 1.00 4.33 C ATOM 2906 C CYS B 70 -3.593 5.784 -3.894 1.00 65.04 C ATOM 2907 O CYS B 70 -4.736 5.370 -3.629 1.00 72.22 O ATOM 2908 CB CYS B 70 -2.811 4.186 -5.649 1.00 14.53 C ATOM 2909 SG CYS B 70 -1.621 2.910 -6.150 1.00 74.20 S ATOM 0 H CYS B 70 -3.314 3.196 -3.254 1.00 61.52 H new ATOM 0 HA CYS B 70 -1.554 5.323 -4.347 1.00 4.33 H new ATOM 0 HB2 CYS B 70 -3.810 3.750 -5.629 1.00 14.53 H new ATOM 0 HB3 CYS B 70 -2.823 4.974 -6.402 1.00 14.53 H new ATOM 0 HG CYS B 70 -1.954 2.440 -7.315 1.00 74.20 H new ATOM 2915 N ASP B 71 -3.265 7.051 -3.792 1.00 71.24 N ATOM 2916 CA ASP B 71 -4.262 7.994 -3.369 1.00 12.12 C ATOM 2917 C ASP B 71 -4.652 8.940 -4.466 1.00 34.00 C ATOM 2918 O ASP B 71 -3.816 9.520 -5.139 1.00 23.15 O ATOM 2919 CB ASP B 71 -3.862 8.793 -2.093 1.00 31.52 C ATOM 2920 CG ASP B 71 -2.810 9.860 -2.288 1.00 23.41 C ATOM 2921 OD1 ASP B 71 -1.613 9.555 -2.223 1.00 65.54 O ATOM 2922 OD2 ASP B 71 -3.197 11.052 -2.458 1.00 42.12 O ATOM 0 H ASP B 71 -2.343 7.440 -3.990 1.00 71.24 H new ATOM 0 HA ASP B 71 -5.128 7.384 -3.110 1.00 12.12 H new ATOM 0 HB2 ASP B 71 -4.757 9.262 -1.686 1.00 31.52 H new ATOM 0 HB3 ASP B 71 -3.503 8.088 -1.343 1.00 31.52 H new ATOM 2927 N LYS B 72 -5.929 9.061 -4.662 1.00 71.34 N ATOM 2928 CA LYS B 72 -6.490 10.034 -5.559 1.00 50.34 C ATOM 2929 C LYS B 72 -7.122 11.114 -4.737 1.00 53.51 C ATOM 2930 O LYS B 72 -7.842 11.981 -5.237 1.00 3.04 O ATOM 2931 CB LYS B 72 -7.476 9.393 -6.520 1.00 61.21 C ATOM 2932 CG LYS B 72 -6.791 8.482 -7.502 1.00 33.31 C ATOM 2933 CD LYS B 72 -7.755 7.807 -8.428 1.00 2.21 C ATOM 2934 CE LYS B 72 -6.991 7.040 -9.475 1.00 70.33 C ATOM 2935 NZ LYS B 72 -7.865 6.268 -10.360 1.00 43.23 N ATOM 0 H LYS B 72 -6.625 8.478 -4.197 1.00 71.34 H new ATOM 0 HA LYS B 72 -5.707 10.468 -6.180 1.00 50.34 H new ATOM 0 HB2 LYS B 72 -8.217 8.827 -5.956 1.00 61.21 H new ATOM 0 HB3 LYS B 72 -8.014 10.171 -7.061 1.00 61.21 H new ATOM 0 HG2 LYS B 72 -6.073 9.057 -8.087 1.00 33.31 H new ATOM 0 HG3 LYS B 72 -6.225 7.726 -6.958 1.00 33.31 H new ATOM 0 HD2 LYS B 72 -8.402 7.132 -7.868 1.00 2.21 H new ATOM 0 HD3 LYS B 72 -8.400 8.547 -8.902 1.00 2.21 H new ATOM 0 HE2 LYS B 72 -6.401 7.736 -10.071 1.00 70.33 H new ATOM 0 HE3 LYS B 72 -6.289 6.365 -8.985 1.00 70.33 H new ATOM 0 HZ1 LYS B 72 -7.311 5.528 -10.836 1.00 43.23 H new ATOM 0 HZ2 LYS B 72 -8.623 5.827 -9.801 1.00 43.23 H new ATOM 0 HZ3 LYS B 72 -8.283 6.900 -11.073 1.00 43.23 H new ATOM 2949 N PHE B 73 -6.821 11.047 -3.441 1.00 60.23 N ATOM 2950 CA PHE B 73 -7.191 12.045 -2.472 1.00 23.31 C ATOM 2951 C PHE B 73 -6.565 13.365 -2.898 1.00 60.02 C ATOM 2952 O PHE B 73 -7.128 14.426 -2.717 1.00 42.31 O ATOM 2953 CB PHE B 73 -6.638 11.612 -1.097 1.00 44.43 C ATOM 2954 CG PHE B 73 -7.024 12.484 0.064 1.00 73.24 C ATOM 2955 CD1 PHE B 73 -8.192 12.240 0.760 1.00 13.41 C ATOM 2956 CD2 PHE B 73 -6.216 13.536 0.466 1.00 30.34 C ATOM 2957 CE1 PHE B 73 -8.555 13.024 1.834 1.00 12.23 C ATOM 2958 CE2 PHE B 73 -6.569 14.327 1.541 1.00 61.23 C ATOM 2959 CZ PHE B 73 -7.742 14.073 2.227 1.00 45.41 C ATOM 0 H PHE B 73 -6.298 10.270 -3.037 1.00 60.23 H new ATOM 0 HA PHE B 73 -8.273 12.157 -2.406 1.00 23.31 H new ATOM 0 HB2 PHE B 73 -6.977 10.596 -0.893 1.00 44.43 H new ATOM 0 HB3 PHE B 73 -5.550 11.579 -1.157 1.00 44.43 H new ATOM 0 HD1 PHE B 73 -8.830 11.423 0.458 1.00 13.41 H new ATOM 0 HD2 PHE B 73 -5.300 13.739 -0.068 1.00 30.34 H new ATOM 0 HE1 PHE B 73 -9.472 12.820 2.368 1.00 12.23 H new ATOM 0 HE2 PHE B 73 -5.930 15.143 1.845 1.00 61.23 H new ATOM 0 HZ PHE B 73 -8.023 14.691 3.067 1.00 45.41 H new ATOM 2969 N SER B 74 -5.398 13.262 -3.491 1.00 12.14 N ATOM 2970 CA SER B 74 -4.679 14.404 -3.989 1.00 1.33 C ATOM 2971 C SER B 74 -5.187 14.839 -5.394 1.00 52.35 C ATOM 2972 O SER B 74 -4.579 15.698 -6.045 1.00 33.40 O ATOM 2973 CB SER B 74 -3.196 14.051 -4.046 1.00 52.41 C ATOM 2974 OG SER B 74 -2.739 13.610 -2.770 1.00 53.20 O ATOM 0 H SER B 74 -4.920 12.374 -3.641 1.00 12.14 H new ATOM 0 HA SER B 74 -4.844 15.247 -3.318 1.00 1.33 H new ATOM 0 HB2 SER B 74 -3.030 13.270 -4.788 1.00 52.41 H new ATOM 0 HB3 SER B 74 -2.621 14.921 -4.364 1.00 52.41 H new ATOM 0 HG SER B 74 -3.046 12.693 -2.612 1.00 53.20 H new ATOM 2980 N GLY B 75 -6.293 14.239 -5.863 1.00 1.22 N ATOM 2981 CA GLY B 75 -6.856 14.556 -7.186 1.00 61.42 C ATOM 2982 C GLY B 75 -6.124 13.819 -8.289 1.00 51.21 C ATOM 2983 O GLY B 75 -6.722 13.165 -9.140 1.00 72.21 O ATOM 0 H GLY B 75 -6.815 13.532 -5.346 1.00 1.22 H new ATOM 0 HA2 GLY B 75 -7.913 14.289 -7.207 1.00 61.42 H new ATOM 0 HA3 GLY B 75 -6.795 15.630 -7.361 1.00 61.42 H new ATOM 2987 N HIS B 76 -4.832 13.916 -8.231 1.00 43.22 N ATOM 2988 CA HIS B 76 -3.951 13.241 -9.143 1.00 41.33 C ATOM 2989 C HIS B 76 -3.564 11.975 -8.455 1.00 42.12 C ATOM 2990 O HIS B 76 -3.223 12.020 -7.269 1.00 4.05 O ATOM 2991 CB HIS B 76 -2.685 14.072 -9.438 1.00 44.13 C ATOM 2992 CG HIS B 76 -2.926 15.412 -10.082 1.00 2.23 C ATOM 2993 ND1 HIS B 76 -2.596 15.691 -11.389 1.00 34.23 N ATOM 2994 CD2 HIS B 76 -3.425 16.566 -9.575 1.00 4.42 C ATOM 2995 CE1 HIS B 76 -2.879 16.947 -11.653 1.00 53.25 C ATOM 2996 NE2 HIS B 76 -3.383 17.497 -10.571 1.00 14.33 N ATOM 0 H HIS B 76 -4.346 14.479 -7.533 1.00 43.22 H new ATOM 0 HA HIS B 76 -4.445 13.072 -10.100 1.00 41.33 H new ATOM 0 HB2 HIS B 76 -2.148 14.229 -8.502 1.00 44.13 H new ATOM 0 HB3 HIS B 76 -2.031 13.489 -10.087 1.00 44.13 H new ATOM 0 HD2 HIS B 76 -3.788 16.720 -8.570 1.00 4.42 H new ATOM 0 HE1 HIS B 76 -2.724 17.443 -12.599 1.00 53.25 H new ATOM 0 HE2 HIS B 76 -3.693 18.465 -10.489 1.00 14.33 H new ATOM 3005 N PRO B 77 -3.645 10.831 -9.133 1.00 22.10 N ATOM 3006 CA PRO B 77 -3.324 9.563 -8.508 1.00 12.21 C ATOM 3007 C PRO B 77 -1.869 9.499 -8.085 1.00 20.34 C ATOM 3008 O PRO B 77 -0.947 9.586 -8.910 1.00 63.35 O ATOM 3009 CB PRO B 77 -3.609 8.534 -9.608 1.00 23.50 C ATOM 3010 CG PRO B 77 -3.611 9.303 -10.883 1.00 4.21 C ATOM 3011 CD PRO B 77 -4.053 10.683 -10.536 1.00 53.53 C ATOM 0 HA PRO B 77 -3.901 9.394 -7.599 1.00 12.21 H new ATOM 0 HB2 PRO B 77 -2.848 7.754 -9.622 1.00 23.50 H new ATOM 0 HB3 PRO B 77 -4.568 8.041 -9.446 1.00 23.50 H new ATOM 0 HG2 PRO B 77 -2.618 9.314 -11.332 1.00 4.21 H new ATOM 0 HG3 PRO B 77 -4.285 8.850 -11.610 1.00 4.21 H new ATOM 0 HD2 PRO B 77 -3.578 11.429 -11.173 1.00 53.53 H new ATOM 0 HD3 PRO B 77 -5.130 10.802 -10.655 1.00 53.53 H new ATOM 3019 N LYS B 78 -1.669 9.386 -6.811 1.00 22.04 N ATOM 3020 CA LYS B 78 -0.375 9.258 -6.223 1.00 4.34 C ATOM 3021 C LYS B 78 -0.152 7.827 -5.819 1.00 13.01 C ATOM 3022 O LYS B 78 -1.035 6.988 -5.987 1.00 61.14 O ATOM 3023 CB LYS B 78 -0.324 10.141 -4.985 1.00 3.33 C ATOM 3024 CG LYS B 78 -0.484 11.639 -5.246 1.00 41.30 C ATOM 3025 CD LYS B 78 0.729 12.223 -5.960 1.00 10.32 C ATOM 3026 CE LYS B 78 1.986 12.066 -5.103 1.00 23.00 C ATOM 3027 NZ LYS B 78 1.869 12.777 -3.809 1.00 64.23 N ATOM 0 H LYS B 78 -2.427 9.380 -6.129 1.00 22.04 H new ATOM 0 HA LYS B 78 0.395 9.557 -6.935 1.00 4.34 H new ATOM 0 HB2 LYS B 78 -1.109 9.822 -4.299 1.00 3.33 H new ATOM 0 HB3 LYS B 78 0.628 9.976 -4.480 1.00 3.33 H new ATOM 0 HG2 LYS B 78 -1.377 11.810 -5.848 1.00 41.30 H new ATOM 0 HG3 LYS B 78 -0.633 12.159 -4.300 1.00 41.30 H new ATOM 0 HD2 LYS B 78 0.870 11.722 -6.917 1.00 10.32 H new ATOM 0 HD3 LYS B 78 0.558 13.278 -6.175 1.00 10.32 H new ATOM 0 HE2 LYS B 78 2.169 11.007 -4.919 1.00 23.00 H new ATOM 0 HE3 LYS B 78 2.848 12.449 -5.650 1.00 23.00 H new ATOM 0 HZ1 LYS B 78 2.807 12.849 -3.366 1.00 64.23 H new ATOM 0 HZ2 LYS B 78 1.489 13.731 -3.970 1.00 64.23 H new ATOM 0 HZ3 LYS B 78 1.229 12.251 -3.181 1.00 64.23 H new ATOM 3041 N GLY B 79 0.983 7.557 -5.238 1.00 72.50 N ATOM 3042 CA GLY B 79 1.280 6.227 -4.869 1.00 2.12 C ATOM 3043 C GLY B 79 2.418 6.126 -3.906 1.00 75.42 C ATOM 3044 O GLY B 79 3.445 6.803 -4.052 1.00 32.44 O ATOM 0 H GLY B 79 1.704 8.243 -5.017 1.00 72.50 H new ATOM 0 HA2 GLY B 79 0.394 5.773 -4.424 1.00 2.12 H new ATOM 0 HA3 GLY B 79 1.517 5.652 -5.764 1.00 2.12 H new ATOM 3048 N TYR B 80 2.231 5.297 -2.928 1.00 51.35 N ATOM 3049 CA TYR B 80 3.229 4.964 -1.962 1.00 32.45 C ATOM 3050 C TYR B 80 2.981 3.581 -1.432 1.00 22.32 C ATOM 3051 O TYR B 80 1.849 3.150 -1.322 1.00 51.53 O ATOM 3052 CB TYR B 80 3.461 6.053 -0.867 1.00 22.50 C ATOM 3053 CG TYR B 80 2.248 6.572 -0.110 1.00 75.13 C ATOM 3054 CD1 TYR B 80 1.351 7.430 -0.725 1.00 43.05 C ATOM 3055 CD2 TYR B 80 2.032 6.241 1.225 1.00 50.10 C ATOM 3056 CE1 TYR B 80 0.262 7.943 -0.041 1.00 53.33 C ATOM 3057 CE2 TYR B 80 0.947 6.758 1.927 1.00 41.34 C ATOM 3058 CZ TYR B 80 0.069 7.602 1.289 1.00 75.12 C ATOM 3059 OH TYR B 80 -0.996 8.114 1.988 1.00 33.40 O ATOM 0 H TYR B 80 1.345 4.815 -2.775 1.00 51.35 H new ATOM 0 HA TYR B 80 4.193 4.951 -2.471 1.00 32.45 H new ATOM 0 HB2 TYR B 80 4.163 5.649 -0.137 1.00 22.50 H new ATOM 0 HB3 TYR B 80 3.949 6.905 -1.341 1.00 22.50 H new ATOM 0 HD1 TYR B 80 1.504 7.704 -1.758 1.00 43.05 H new ATOM 0 HD2 TYR B 80 2.718 5.572 1.724 1.00 50.10 H new ATOM 0 HE1 TYR B 80 -0.432 8.604 -0.540 1.00 53.33 H new ATOM 0 HE2 TYR B 80 0.796 6.498 2.964 1.00 41.34 H new ATOM 0 HH TYR B 80 -0.980 7.771 2.906 1.00 33.40 H new ATOM 3069 N ALA B 81 4.019 2.884 -1.156 1.00 42.43 N ATOM 3070 CA ALA B 81 3.929 1.512 -0.789 1.00 5.40 C ATOM 3071 C ALA B 81 4.839 1.219 0.360 1.00 73.24 C ATOM 3072 O ALA B 81 5.832 1.882 0.553 1.00 11.11 O ATOM 3073 CB ALA B 81 4.295 0.635 -1.982 1.00 53.31 C ATOM 0 H ALA B 81 4.971 3.251 -1.177 1.00 42.43 H new ATOM 0 HA ALA B 81 2.905 1.295 -0.484 1.00 5.40 H new ATOM 0 HB1 ALA B 81 4.225 -0.415 -1.697 1.00 53.31 H new ATOM 0 HB2 ALA B 81 3.608 0.834 -2.804 1.00 53.31 H new ATOM 0 HB3 ALA B 81 5.314 0.858 -2.298 1.00 53.31 H new ATOM 3079 N TYR B 82 4.479 0.265 1.130 1.00 65.44 N ATOM 3080 CA TYR B 82 5.274 -0.180 2.220 1.00 33.25 C ATOM 3081 C TYR B 82 5.628 -1.615 1.983 1.00 15.53 C ATOM 3082 O TYR B 82 4.747 -2.478 1.905 1.00 72.32 O ATOM 3083 CB TYR B 82 4.535 -0.001 3.550 1.00 24.52 C ATOM 3084 CG TYR B 82 4.290 1.450 3.940 1.00 33.43 C ATOM 3085 CD1 TYR B 82 3.370 2.227 3.260 1.00 34.34 C ATOM 3086 CD2 TYR B 82 4.981 2.030 4.994 1.00 5.21 C ATOM 3087 CE1 TYR B 82 3.137 3.537 3.616 1.00 62.21 C ATOM 3088 CE2 TYR B 82 4.749 3.348 5.364 1.00 42.45 C ATOM 3089 CZ TYR B 82 3.821 4.091 4.667 1.00 35.24 C ATOM 3090 OH TYR B 82 3.574 5.397 5.019 1.00 74.25 O ATOM 0 H TYR B 82 3.602 -0.245 1.022 1.00 65.44 H new ATOM 0 HA TYR B 82 6.184 0.417 2.285 1.00 33.25 H new ATOM 0 HB2 TYR B 82 3.576 -0.516 3.492 1.00 24.52 H new ATOM 0 HB3 TYR B 82 5.110 -0.485 4.340 1.00 24.52 H new ATOM 0 HD1 TYR B 82 2.823 1.798 2.433 1.00 34.34 H new ATOM 0 HD2 TYR B 82 5.711 1.447 5.535 1.00 5.21 H new ATOM 0 HE1 TYR B 82 2.417 4.127 3.068 1.00 62.21 H new ATOM 0 HE2 TYR B 82 5.290 3.786 6.189 1.00 42.45 H new ATOM 0 HH TYR B 82 4.210 5.985 4.561 1.00 74.25 H new ATOM 3100 N ILE B 83 6.887 -1.871 1.821 1.00 54.53 N ATOM 3101 CA ILE B 83 7.359 -3.196 1.523 1.00 0.41 C ATOM 3102 C ILE B 83 7.811 -3.843 2.826 1.00 73.01 C ATOM 3103 O ILE B 83 8.653 -3.288 3.533 1.00 41.30 O ATOM 3104 CB ILE B 83 8.565 -3.127 0.528 1.00 54.12 C ATOM 3105 CG1 ILE B 83 8.219 -2.284 -0.725 1.00 32.40 C ATOM 3106 CG2 ILE B 83 9.036 -4.514 0.114 1.00 40.13 C ATOM 3107 CD1 ILE B 83 7.050 -2.791 -1.549 1.00 34.41 C ATOM 0 H ILE B 83 7.623 -1.169 1.891 1.00 54.53 H new ATOM 0 HA ILE B 83 6.562 -3.780 1.063 1.00 0.41 H new ATOM 0 HB ILE B 83 9.381 -2.637 1.059 1.00 54.12 H new ATOM 0 HG12 ILE B 83 8.002 -1.264 -0.407 1.00 32.40 H new ATOM 0 HG13 ILE B 83 9.100 -2.238 -1.365 1.00 32.40 H new ATOM 0 HG21 ILE B 83 9.874 -4.422 -0.577 1.00 40.13 H new ATOM 0 HG22 ILE B 83 9.352 -5.069 0.997 1.00 40.13 H new ATOM 0 HG23 ILE B 83 8.219 -5.045 -0.375 1.00 40.13 H new ATOM 0 HD11 ILE B 83 6.892 -2.130 -2.401 1.00 34.41 H new ATOM 0 HD12 ILE B 83 7.266 -3.798 -1.906 1.00 34.41 H new ATOM 0 HD13 ILE B 83 6.151 -2.809 -0.933 1.00 34.41 H new ATOM 3119 N GLU B 84 7.232 -4.967 3.165 1.00 4.42 N ATOM 3120 CA GLU B 84 7.586 -5.670 4.371 1.00 13.13 C ATOM 3121 C GLU B 84 8.489 -6.843 4.016 1.00 22.03 C ATOM 3122 O GLU B 84 8.113 -7.734 3.246 1.00 43.23 O ATOM 3123 CB GLU B 84 6.312 -6.165 5.070 1.00 62.34 C ATOM 3124 CG GLU B 84 6.537 -6.857 6.406 1.00 55.30 C ATOM 3125 CD GLU B 84 5.248 -7.384 7.000 1.00 71.31 C ATOM 3126 OE1 GLU B 84 4.545 -6.638 7.721 1.00 40.24 O ATOM 3127 OE2 GLU B 84 4.911 -8.521 6.747 1.00 61.22 O ATOM 0 H GLU B 84 6.503 -5.420 2.613 1.00 4.42 H new ATOM 0 HA GLU B 84 8.118 -5.003 5.049 1.00 13.13 H new ATOM 0 HB2 GLU B 84 5.648 -5.315 5.226 1.00 62.34 H new ATOM 0 HB3 GLU B 84 5.795 -6.855 4.403 1.00 62.34 H new ATOM 0 HG2 GLU B 84 7.238 -7.681 6.273 1.00 55.30 H new ATOM 0 HG3 GLU B 84 6.997 -6.157 7.103 1.00 55.30 H new ATOM 3134 N PHE B 85 9.667 -6.835 4.539 1.00 54.10 N ATOM 3135 CA PHE B 85 10.606 -7.881 4.296 1.00 21.43 C ATOM 3136 C PHE B 85 10.587 -8.865 5.437 1.00 64.25 C ATOM 3137 O PHE B 85 10.190 -8.532 6.542 1.00 12.14 O ATOM 3138 CB PHE B 85 12.015 -7.317 4.137 1.00 34.23 C ATOM 3139 CG PHE B 85 12.204 -6.378 2.977 1.00 24.42 C ATOM 3140 CD1 PHE B 85 11.981 -5.020 3.123 1.00 54.41 C ATOM 3141 CD2 PHE B 85 12.629 -6.852 1.747 1.00 30.02 C ATOM 3142 CE1 PHE B 85 12.172 -4.156 2.071 1.00 52.24 C ATOM 3143 CE2 PHE B 85 12.828 -5.988 0.689 1.00 64.32 C ATOM 3144 CZ PHE B 85 12.599 -4.639 0.854 1.00 44.21 C ATOM 0 H PHE B 85 10.011 -6.097 5.153 1.00 54.10 H new ATOM 0 HA PHE B 85 10.323 -8.386 3.372 1.00 21.43 H new ATOM 0 HB2 PHE B 85 12.285 -6.794 5.054 1.00 34.23 H new ATOM 0 HB3 PHE B 85 12.711 -8.148 4.027 1.00 34.23 H new ATOM 0 HD1 PHE B 85 11.652 -4.634 4.077 1.00 54.41 H new ATOM 0 HD2 PHE B 85 12.807 -7.909 1.614 1.00 30.02 H new ATOM 0 HE1 PHE B 85 11.987 -3.100 2.199 1.00 52.24 H new ATOM 0 HE2 PHE B 85 13.162 -6.368 -0.265 1.00 64.32 H new ATOM 0 HZ PHE B 85 12.754 -3.960 0.028 1.00 44.21 H new ATOM 3154 N ALA B 86 10.988 -10.074 5.166 1.00 45.52 N ATOM 3155 CA ALA B 86 11.092 -11.074 6.201 1.00 74.24 C ATOM 3156 C ALA B 86 12.346 -10.829 7.024 1.00 0.51 C ATOM 3157 O ALA B 86 12.396 -11.127 8.209 1.00 73.31 O ATOM 3158 CB ALA B 86 11.111 -12.465 5.592 1.00 0.42 C ATOM 0 H ALA B 86 11.250 -10.396 4.234 1.00 45.52 H new ATOM 0 HA ALA B 86 10.223 -11.004 6.856 1.00 74.24 H new ATOM 0 HB1 ALA B 86 11.190 -13.208 6.385 1.00 0.42 H new ATOM 0 HB2 ALA B 86 10.191 -12.629 5.031 1.00 0.42 H new ATOM 0 HB3 ALA B 86 11.966 -12.557 4.922 1.00 0.42 H new ATOM 3164 N GLU B 87 13.355 -10.275 6.383 1.00 41.41 N ATOM 3165 CA GLU B 87 14.607 -9.979 7.029 1.00 44.15 C ATOM 3166 C GLU B 87 14.713 -8.473 7.279 1.00 12.13 C ATOM 3167 O GLU B 87 14.382 -7.672 6.406 1.00 22.41 O ATOM 3168 CB GLU B 87 15.744 -10.451 6.126 1.00 50.21 C ATOM 3169 CG GLU B 87 15.642 -11.921 5.741 1.00 44.04 C ATOM 3170 CD GLU B 87 16.741 -12.364 4.810 1.00 74.10 C ATOM 3171 OE1 GLU B 87 17.799 -12.777 5.295 1.00 2.32 O ATOM 3172 OE2 GLU B 87 16.547 -12.320 3.573 1.00 52.14 O ATOM 0 H GLU B 87 13.325 -10.018 5.396 1.00 41.41 H new ATOM 0 HA GLU B 87 14.668 -10.493 7.988 1.00 44.15 H new ATOM 0 HB2 GLU B 87 15.753 -9.846 5.220 1.00 50.21 H new ATOM 0 HB3 GLU B 87 16.694 -10.281 6.632 1.00 50.21 H new ATOM 0 HG2 GLU B 87 15.671 -12.530 6.644 1.00 44.04 H new ATOM 0 HG3 GLU B 87 14.677 -12.100 5.267 1.00 44.04 H new ATOM 3179 N ARG B 88 15.175 -8.091 8.457 1.00 52.34 N ATOM 3180 CA ARG B 88 15.309 -6.671 8.820 1.00 5.03 C ATOM 3181 C ARG B 88 16.495 -6.105 8.025 1.00 4.33 C ATOM 3182 O ARG B 88 16.493 -4.952 7.593 1.00 70.20 O ATOM 3183 CB ARG B 88 15.544 -6.561 10.363 1.00 5.44 C ATOM 3184 CG ARG B 88 15.278 -5.178 11.050 1.00 64.03 C ATOM 3185 CD ARG B 88 16.156 -4.039 10.556 1.00 11.54 C ATOM 3186 NE ARG B 88 17.599 -4.386 10.654 1.00 65.11 N ATOM 3187 CZ ARG B 88 18.631 -3.695 10.125 1.00 1.24 C ATOM 3188 NH1 ARG B 88 18.434 -2.542 9.481 1.00 14.12 N ATOM 3189 NH2 ARG B 88 19.867 -4.165 10.270 1.00 52.21 N ATOM 0 H ARG B 88 15.467 -8.739 9.188 1.00 52.34 H new ATOM 0 HA ARG B 88 14.410 -6.102 8.580 1.00 5.03 H new ATOM 0 HB2 ARG B 88 14.912 -7.303 10.851 1.00 5.44 H new ATOM 0 HB3 ARG B 88 16.578 -6.841 10.564 1.00 5.44 H new ATOM 0 HG2 ARG B 88 14.234 -4.906 10.895 1.00 64.03 H new ATOM 0 HG3 ARG B 88 15.422 -5.289 12.125 1.00 64.03 H new ATOM 0 HD2 ARG B 88 15.905 -3.807 9.521 1.00 11.54 H new ATOM 0 HD3 ARG B 88 15.955 -3.142 11.142 1.00 11.54 H new ATOM 0 HE ARG B 88 17.833 -5.232 11.174 1.00 65.11 H new ATOM 0 HH11 ARG B 88 17.490 -2.168 9.382 1.00 14.12 H new ATOM 0 HH12 ARG B 88 19.227 -2.035 9.088 1.00 14.12 H new ATOM 0 HH21 ARG B 88 20.025 -5.037 10.775 1.00 52.21 H new ATOM 0 HH22 ARG B 88 20.657 -3.654 9.876 1.00 52.21 H new ATOM 3203 N ASN B 89 17.476 -6.959 7.783 1.00 1.22 N ATOM 3204 CA ASN B 89 18.661 -6.570 7.026 1.00 21.52 C ATOM 3205 C ASN B 89 18.317 -6.263 5.580 1.00 30.31 C ATOM 3206 O ASN B 89 19.033 -5.522 4.910 1.00 72.34 O ATOM 3207 CB ASN B 89 19.785 -7.616 7.113 1.00 43.34 C ATOM 3208 CG ASN B 89 20.360 -7.753 8.512 1.00 24.11 C ATOM 3209 OD1 ASN B 89 19.898 -8.565 9.314 1.00 53.42 O ATOM 3210 ND2 ASN B 89 21.361 -6.962 8.819 1.00 33.12 N ATOM 0 H ASN B 89 17.478 -7.929 8.099 1.00 1.22 H new ATOM 0 HA ASN B 89 19.038 -5.658 7.488 1.00 21.52 H new ATOM 0 HB2 ASN B 89 19.400 -8.583 6.788 1.00 43.34 H new ATOM 0 HB3 ASN B 89 20.583 -7.342 6.423 1.00 43.34 H new ATOM 0 HD21 ASN B 89 21.781 -7.008 9.747 1.00 33.12 H new ATOM 0 HD22 ASN B 89 21.719 -6.301 8.129 1.00 33.12 H new ATOM 3217 N SER B 90 17.197 -6.802 5.097 1.00 75.55 N ATOM 3218 CA SER B 90 16.748 -6.521 3.761 1.00 23.32 C ATOM 3219 C SER B 90 16.328 -5.058 3.649 1.00 5.35 C ATOM 3220 O SER B 90 16.552 -4.415 2.625 1.00 52.00 O ATOM 3221 CB SER B 90 15.588 -7.435 3.390 1.00 61.32 C ATOM 3222 OG SER B 90 15.960 -8.801 3.468 1.00 40.32 O ATOM 0 H SER B 90 16.594 -7.434 5.623 1.00 75.55 H new ATOM 0 HA SER B 90 17.568 -6.705 3.067 1.00 23.32 H new ATOM 0 HB2 SER B 90 14.747 -7.247 4.057 1.00 61.32 H new ATOM 0 HB3 SER B 90 15.251 -7.205 2.379 1.00 61.32 H new ATOM 0 HG SER B 90 16.915 -8.892 3.269 1.00 40.32 H new ATOM 3228 N VAL B 91 15.730 -4.525 4.727 1.00 14.50 N ATOM 3229 CA VAL B 91 15.288 -3.138 4.714 1.00 3.23 C ATOM 3230 C VAL B 91 16.503 -2.262 4.651 1.00 14.14 C ATOM 3231 O VAL B 91 16.518 -1.263 3.959 1.00 53.04 O ATOM 3232 CB VAL B 91 14.401 -2.739 5.955 1.00 4.33 C ATOM 3233 CG1 VAL B 91 13.446 -3.807 6.335 1.00 73.32 C ATOM 3234 CG2 VAL B 91 15.157 -2.148 7.162 1.00 51.11 C ATOM 0 H VAL B 91 15.548 -5.027 5.596 1.00 14.50 H new ATOM 0 HA VAL B 91 14.649 -3.004 3.841 1.00 3.23 H new ATOM 0 HB VAL B 91 13.816 -1.893 5.594 1.00 4.33 H new ATOM 0 HG11 VAL B 91 12.860 -3.482 7.194 1.00 73.32 H new ATOM 0 HG12 VAL B 91 12.779 -4.013 5.498 1.00 73.32 H new ATOM 0 HG13 VAL B 91 13.996 -4.712 6.592 1.00 73.32 H new ATOM 0 HG21 VAL B 91 14.448 -1.911 7.955 1.00 51.11 H new ATOM 0 HG22 VAL B 91 15.882 -2.875 7.529 1.00 51.11 H new ATOM 0 HG23 VAL B 91 15.677 -1.240 6.857 1.00 51.11 H new ATOM 3244 N ASP B 92 17.544 -2.677 5.369 1.00 53.41 N ATOM 3245 CA ASP B 92 18.792 -1.953 5.450 1.00 1.11 C ATOM 3246 C ASP B 92 19.432 -1.840 4.057 1.00 23.54 C ATOM 3247 O ASP B 92 20.001 -0.813 3.696 1.00 3.00 O ATOM 3248 CB ASP B 92 19.711 -2.698 6.418 1.00 25.22 C ATOM 3249 CG ASP B 92 20.901 -1.902 6.857 1.00 0.21 C ATOM 3250 OD1 ASP B 92 21.903 -1.845 6.130 1.00 1.31 O ATOM 3251 OD2 ASP B 92 20.843 -1.325 7.971 1.00 55.44 O ATOM 0 H ASP B 92 17.535 -3.538 5.915 1.00 53.41 H new ATOM 0 HA ASP B 92 18.622 -0.940 5.814 1.00 1.11 H new ATOM 0 HB2 ASP B 92 19.137 -2.990 7.297 1.00 25.22 H new ATOM 0 HB3 ASP B 92 20.055 -3.617 5.943 1.00 25.22 H new ATOM 3256 N ALA B 93 19.307 -2.888 3.272 1.00 22.43 N ATOM 3257 CA ALA B 93 19.804 -2.880 1.906 1.00 1.22 C ATOM 3258 C ALA B 93 18.906 -2.014 1.001 1.00 44.51 C ATOM 3259 O ALA B 93 19.372 -1.399 0.040 1.00 61.42 O ATOM 3260 CB ALA B 93 19.918 -4.302 1.372 1.00 73.15 C ATOM 0 H ALA B 93 18.864 -3.762 3.555 1.00 22.43 H new ATOM 0 HA ALA B 93 20.800 -2.438 1.904 1.00 1.22 H new ATOM 0 HB1 ALA B 93 20.291 -4.277 0.348 1.00 73.15 H new ATOM 0 HB2 ALA B 93 20.607 -4.871 1.996 1.00 73.15 H new ATOM 0 HB3 ALA B 93 18.937 -4.777 1.389 1.00 73.15 H new ATOM 3266 N ALA B 94 17.625 -1.964 1.329 1.00 73.51 N ATOM 3267 CA ALA B 94 16.641 -1.216 0.549 1.00 12.31 C ATOM 3268 C ALA B 94 16.753 0.291 0.807 1.00 73.11 C ATOM 3269 O ALA B 94 16.716 1.084 -0.116 1.00 22.41 O ATOM 3270 CB ALA B 94 15.231 -1.719 0.839 1.00 70.40 C ATOM 0 H ALA B 94 17.234 -2.439 2.142 1.00 73.51 H new ATOM 0 HA ALA B 94 16.852 -1.383 -0.507 1.00 12.31 H new ATOM 0 HB1 ALA B 94 14.513 -1.150 0.249 1.00 70.40 H new ATOM 0 HB2 ALA B 94 15.160 -2.775 0.577 1.00 70.40 H new ATOM 0 HB3 ALA B 94 15.011 -1.593 1.899 1.00 70.40 H new ATOM 3276 N VAL B 95 16.881 0.665 2.076 1.00 42.21 N ATOM 3277 CA VAL B 95 17.043 2.075 2.512 1.00 5.34 C ATOM 3278 C VAL B 95 18.231 2.774 1.837 1.00 62.12 C ATOM 3279 O VAL B 95 18.280 3.995 1.773 1.00 3.41 O ATOM 3280 CB VAL B 95 17.127 2.229 4.053 1.00 74.24 C ATOM 3281 CG1 VAL B 95 15.891 1.660 4.709 1.00 14.04 C ATOM 3282 CG2 VAL B 95 18.387 1.620 4.631 1.00 50.53 C ATOM 0 H VAL B 95 16.877 0.001 2.850 1.00 42.21 H new ATOM 0 HA VAL B 95 16.132 2.575 2.183 1.00 5.34 H new ATOM 0 HB VAL B 95 17.176 3.296 4.269 1.00 74.24 H new ATOM 0 HG11 VAL B 95 15.967 1.776 5.790 1.00 14.04 H new ATOM 0 HG12 VAL B 95 15.010 2.191 4.348 1.00 14.04 H new ATOM 0 HG13 VAL B 95 15.803 0.602 4.463 1.00 14.04 H new ATOM 0 HG21 VAL B 95 18.394 1.756 5.712 1.00 50.53 H new ATOM 0 HG22 VAL B 95 18.416 0.555 4.399 1.00 50.53 H new ATOM 0 HG23 VAL B 95 19.259 2.109 4.198 1.00 50.53 H new ATOM 3292 N ALA B 96 19.189 1.993 1.341 1.00 62.25 N ATOM 3293 CA ALA B 96 20.333 2.539 0.604 1.00 52.12 C ATOM 3294 C ALA B 96 19.880 3.092 -0.764 1.00 23.22 C ATOM 3295 O ALA B 96 20.650 3.725 -1.484 1.00 32.44 O ATOM 3296 CB ALA B 96 21.406 1.476 0.418 1.00 10.54 C ATOM 0 H ALA B 96 19.198 0.977 1.435 1.00 62.25 H new ATOM 0 HA ALA B 96 20.757 3.358 1.185 1.00 52.12 H new ATOM 0 HB1 ALA B 96 22.247 1.900 -0.131 1.00 10.54 H new ATOM 0 HB2 ALA B 96 21.747 1.129 1.393 1.00 10.54 H new ATOM 0 HB3 ALA B 96 20.993 0.637 -0.142 1.00 10.54 H new ATOM 3302 N MET B 97 18.629 2.818 -1.104 1.00 3.40 N ATOM 3303 CA MET B 97 18.027 3.278 -2.340 1.00 12.03 C ATOM 3304 C MET B 97 17.063 4.430 -2.071 1.00 45.41 C ATOM 3305 O MET B 97 16.264 4.770 -2.940 1.00 31.42 O ATOM 3306 CB MET B 97 17.255 2.142 -3.054 1.00 60.31 C ATOM 3307 CG MET B 97 18.087 0.921 -3.412 1.00 22.22 C ATOM 3308 SD MET B 97 17.214 -0.285 -4.464 1.00 31.21 S ATOM 3309 CE MET B 97 15.618 -0.425 -3.668 1.00 75.34 C ATOM 0 H MET B 97 18.000 2.265 -0.522 1.00 3.40 H new ATOM 0 HA MET B 97 18.839 3.614 -2.985 1.00 12.03 H new ATOM 0 HB2 MET B 97 16.431 1.826 -2.414 1.00 60.31 H new ATOM 0 HB3 MET B 97 16.814 2.542 -3.967 1.00 60.31 H new ATOM 0 HG2 MET B 97 18.992 1.248 -3.925 1.00 22.22 H new ATOM 0 HG3 MET B 97 18.402 0.426 -2.493 1.00 22.22 H new ATOM 0 HE1 MET B 97 15.050 -1.233 -4.130 1.00 75.34 H new ATOM 0 HE2 MET B 97 15.757 -0.640 -2.609 1.00 75.34 H new ATOM 0 HE3 MET B 97 15.072 0.512 -3.779 1.00 75.34 H new ATOM 3319 N ASP B 98 17.115 5.011 -0.846 1.00 21.25 N ATOM 3320 CA ASP B 98 16.238 6.155 -0.459 1.00 0.13 C ATOM 3321 C ASP B 98 16.030 7.180 -1.560 1.00 53.12 C ATOM 3322 O ASP B 98 14.918 7.653 -1.735 1.00 74.40 O ATOM 3323 CB ASP B 98 16.677 6.858 0.848 1.00 64.33 C ATOM 3324 CG ASP B 98 17.953 7.651 0.742 1.00 61.02 C ATOM 3325 OD1 ASP B 98 19.037 7.091 0.996 1.00 63.32 O ATOM 3326 OD2 ASP B 98 17.881 8.855 0.432 1.00 40.35 O ATOM 0 H ASP B 98 17.752 4.710 -0.108 1.00 21.25 H new ATOM 0 HA ASP B 98 15.275 5.679 -0.276 1.00 0.13 H new ATOM 0 HB2 ASP B 98 15.878 7.525 1.171 1.00 64.33 H new ATOM 0 HB3 ASP B 98 16.798 6.104 1.626 1.00 64.33 H new ATOM 3331 N GLU B 99 17.076 7.567 -2.261 1.00 2.44 N ATOM 3332 CA GLU B 99 16.924 8.415 -3.409 1.00 41.14 C ATOM 3333 C GLU B 99 17.231 7.632 -4.693 1.00 54.30 C ATOM 3334 O GLU B 99 18.397 7.467 -5.091 1.00 30.33 O ATOM 3335 CB GLU B 99 17.807 9.659 -3.289 1.00 44.34 C ATOM 3336 CG GLU B 99 17.706 10.609 -4.466 1.00 14.21 C ATOM 3337 CD GLU B 99 18.560 11.834 -4.294 1.00 3.34 C ATOM 3338 OE1 GLU B 99 19.798 11.719 -4.384 1.00 72.12 O ATOM 3339 OE2 GLU B 99 18.010 12.933 -4.063 1.00 21.41 O ATOM 0 H GLU B 99 18.039 7.304 -2.050 1.00 2.44 H new ATOM 0 HA GLU B 99 15.889 8.753 -3.458 1.00 41.14 H new ATOM 0 HB2 GLU B 99 17.538 10.196 -2.379 1.00 44.34 H new ATOM 0 HB3 GLU B 99 18.845 9.345 -3.178 1.00 44.34 H new ATOM 0 HG2 GLU B 99 18.004 10.088 -5.376 1.00 14.21 H new ATOM 0 HG3 GLU B 99 16.667 10.910 -4.597 1.00 14.21 H new ATOM 3346 N THR B 100 16.196 7.127 -5.291 1.00 15.30 N ATOM 3347 CA THR B 100 16.303 6.377 -6.526 1.00 61.01 C ATOM 3348 C THR B 100 15.305 6.836 -7.549 1.00 22.43 C ATOM 3349 O THR B 100 14.272 7.394 -7.206 1.00 64.34 O ATOM 3350 CB THR B 100 16.224 4.850 -6.321 1.00 22.34 C ATOM 3351 OG1 THR B 100 15.197 4.521 -5.382 1.00 44.12 O ATOM 3352 CG2 THR B 100 17.558 4.273 -5.886 1.00 60.22 C ATOM 0 H THR B 100 15.242 7.219 -4.941 1.00 15.30 H new ATOM 0 HA THR B 100 17.301 6.587 -6.910 1.00 61.01 H new ATOM 0 HB THR B 100 15.972 4.400 -7.282 1.00 22.34 H new ATOM 0 HG1 THR B 100 15.554 4.584 -4.471 1.00 44.12 H new ATOM 0 HG21 THR B 100 17.462 3.196 -5.752 1.00 60.22 H new ATOM 0 HG22 THR B 100 18.309 4.478 -6.649 1.00 60.22 H new ATOM 0 HG23 THR B 100 17.862 4.730 -4.944 1.00 60.22 H new ATOM 3360 N VAL B 101 15.600 6.603 -8.794 1.00 41.11 N ATOM 3361 CA VAL B 101 14.748 7.036 -9.861 1.00 2.00 C ATOM 3362 C VAL B 101 14.055 5.833 -10.493 1.00 54.04 C ATOM 3363 O VAL B 101 14.704 4.836 -10.858 1.00 5.14 O ATOM 3364 CB VAL B 101 15.526 7.879 -10.922 1.00 42.23 C ATOM 3365 CG1 VAL B 101 16.697 7.102 -11.494 1.00 11.15 C ATOM 3366 CG2 VAL B 101 14.600 8.366 -12.032 1.00 71.23 C ATOM 0 H VAL B 101 16.438 6.107 -9.098 1.00 41.11 H new ATOM 0 HA VAL B 101 13.986 7.695 -9.445 1.00 2.00 H new ATOM 0 HB VAL B 101 15.925 8.756 -10.412 1.00 42.23 H new ATOM 0 HG11 VAL B 101 17.217 7.716 -12.229 1.00 11.15 H new ATOM 0 HG12 VAL B 101 17.385 6.837 -10.691 1.00 11.15 H new ATOM 0 HG13 VAL B 101 16.332 6.194 -11.974 1.00 11.15 H new ATOM 0 HG21 VAL B 101 15.172 8.949 -12.754 1.00 71.23 H new ATOM 0 HG22 VAL B 101 14.150 7.509 -12.533 1.00 71.23 H new ATOM 0 HG23 VAL B 101 13.815 8.989 -11.604 1.00 71.23 H new ATOM 3376 N PHE B 102 12.762 5.912 -10.577 1.00 23.34 N ATOM 3377 CA PHE B 102 11.958 4.865 -11.121 1.00 63.44 C ATOM 3378 C PHE B 102 10.821 5.538 -11.889 1.00 20.12 C ATOM 3379 O PHE B 102 10.147 6.396 -11.337 1.00 22.53 O ATOM 3380 CB PHE B 102 11.418 4.029 -9.947 1.00 33.22 C ATOM 3381 CG PHE B 102 10.785 2.730 -10.319 1.00 51.25 C ATOM 3382 CD1 PHE B 102 11.559 1.590 -10.424 1.00 35.05 C ATOM 3383 CD2 PHE B 102 9.431 2.634 -10.543 1.00 71.54 C ATOM 3384 CE1 PHE B 102 10.993 0.379 -10.749 1.00 4.44 C ATOM 3385 CE2 PHE B 102 8.860 1.424 -10.870 1.00 34.41 C ATOM 3386 CZ PHE B 102 9.641 0.295 -10.972 1.00 64.02 C ATOM 0 H PHE B 102 12.228 6.722 -10.263 1.00 23.34 H new ATOM 0 HA PHE B 102 12.513 4.207 -11.790 1.00 63.44 H new ATOM 0 HB2 PHE B 102 12.239 3.829 -9.259 1.00 33.22 H new ATOM 0 HB3 PHE B 102 10.686 4.627 -9.404 1.00 33.22 H new ATOM 0 HD1 PHE B 102 12.623 1.651 -10.248 1.00 35.05 H new ATOM 0 HD2 PHE B 102 8.811 3.514 -10.462 1.00 71.54 H new ATOM 0 HE1 PHE B 102 11.611 -0.503 -10.829 1.00 4.44 H new ATOM 0 HE2 PHE B 102 7.796 1.361 -11.047 1.00 34.41 H new ATOM 0 HZ PHE B 102 9.192 -0.654 -11.227 1.00 64.02 H new ATOM 3396 N ARG B 103 10.643 5.181 -13.163 1.00 25.33 N ATOM 3397 CA ARG B 103 9.634 5.817 -14.055 1.00 14.23 C ATOM 3398 C ARG B 103 9.933 7.300 -14.253 1.00 20.33 C ATOM 3399 O ARG B 103 9.030 8.109 -14.465 1.00 33.03 O ATOM 3400 CB ARG B 103 8.212 5.635 -13.511 1.00 13.32 C ATOM 3401 CG ARG B 103 7.749 4.203 -13.493 1.00 42.33 C ATOM 3402 CD ARG B 103 6.346 4.073 -12.948 1.00 72.21 C ATOM 3403 NE ARG B 103 5.360 4.867 -13.692 1.00 3.42 N ATOM 3404 CZ ARG B 103 4.567 4.397 -14.664 1.00 60.12 C ATOM 3405 NH1 ARG B 103 4.773 3.189 -15.187 1.00 53.24 N ATOM 3406 NH2 ARG B 103 3.583 5.147 -15.117 1.00 3.02 N ATOM 0 H ARG B 103 11.186 4.446 -13.617 1.00 25.33 H new ATOM 0 HA ARG B 103 9.697 5.317 -15.021 1.00 14.23 H new ATOM 0 HB2 ARG B 103 8.166 6.035 -12.498 1.00 13.32 H new ATOM 0 HB3 ARG B 103 7.523 6.223 -14.117 1.00 13.32 H new ATOM 0 HG2 ARG B 103 7.785 3.797 -14.504 1.00 42.33 H new ATOM 0 HG3 ARG B 103 8.431 3.608 -12.886 1.00 42.33 H new ATOM 0 HD2 ARG B 103 6.050 3.024 -12.971 1.00 72.21 H new ATOM 0 HD3 ARG B 103 6.339 4.383 -11.903 1.00 72.21 H new ATOM 0 HE ARG B 103 5.272 5.854 -13.450 1.00 3.42 H new ATOM 0 HH11 ARG B 103 5.542 2.611 -14.848 1.00 53.24 H new ATOM 0 HH12 ARG B 103 4.162 2.843 -15.927 1.00 53.24 H new ATOM 0 HH21 ARG B 103 3.430 6.077 -14.728 1.00 3.02 H new ATOM 0 HH22 ARG B 103 2.974 4.797 -15.857 1.00 3.02 H new ATOM 3420 N GLY B 104 11.210 7.626 -14.259 1.00 73.24 N ATOM 3421 CA GLY B 104 11.643 9.004 -14.423 1.00 3.35 C ATOM 3422 C GLY B 104 11.286 9.890 -13.234 1.00 73.10 C ATOM 3423 O GLY B 104 11.312 11.119 -13.331 1.00 70.24 O ATOM 0 H GLY B 104 11.970 6.955 -14.152 1.00 73.24 H new ATOM 0 HA2 GLY B 104 12.723 9.024 -14.572 1.00 3.35 H new ATOM 0 HA3 GLY B 104 11.189 9.416 -15.324 1.00 3.35 H new ATOM 3427 N ARG B 105 10.924 9.278 -12.128 1.00 10.44 N ATOM 3428 CA ARG B 105 10.617 10.011 -10.937 1.00 70.13 C ATOM 3429 C ARG B 105 11.359 9.419 -9.754 1.00 32.22 C ATOM 3430 O ARG B 105 11.550 8.206 -9.675 1.00 22.24 O ATOM 3431 CB ARG B 105 9.088 10.089 -10.704 1.00 65.24 C ATOM 3432 CG ARG B 105 8.364 8.759 -10.561 1.00 53.21 C ATOM 3433 CD ARG B 105 6.853 8.963 -10.434 1.00 32.45 C ATOM 3434 NE ARG B 105 6.276 9.577 -11.637 1.00 50.44 N ATOM 3435 CZ ARG B 105 5.011 10.010 -11.768 1.00 55.21 C ATOM 3436 NH1 ARG B 105 4.163 9.967 -10.737 1.00 35.02 N ATOM 3437 NH2 ARG B 105 4.607 10.493 -12.928 1.00 40.42 N ATOM 0 H ARG B 105 10.837 8.266 -12.037 1.00 10.44 H new ATOM 0 HA ARG B 105 10.959 11.039 -11.056 1.00 70.13 H new ATOM 0 HB2 ARG B 105 8.908 10.676 -9.804 1.00 65.24 H new ATOM 0 HB3 ARG B 105 8.642 10.635 -11.535 1.00 65.24 H new ATOM 0 HG2 ARG B 105 8.577 8.131 -11.426 1.00 53.21 H new ATOM 0 HG3 ARG B 105 8.737 8.231 -9.684 1.00 53.21 H new ATOM 0 HD2 ARG B 105 6.372 8.002 -10.251 1.00 32.45 H new ATOM 0 HD3 ARG B 105 6.644 9.593 -9.570 1.00 32.45 H new ATOM 0 HE ARG B 105 6.890 9.684 -12.444 1.00 50.44 H new ATOM 0 HH11 ARG B 105 4.473 9.602 -9.836 1.00 35.02 H new ATOM 0 HH12 ARG B 105 3.205 10.299 -10.850 1.00 35.02 H new ATOM 0 HH21 ARG B 105 5.253 10.535 -13.716 1.00 40.42 H new ATOM 0 HH22 ARG B 105 3.648 10.824 -13.037 1.00 40.42 H new ATOM 3451 N THR B 106 11.786 10.256 -8.862 1.00 61.44 N ATOM 3452 CA THR B 106 12.554 9.829 -7.730 1.00 51.52 C ATOM 3453 C THR B 106 11.634 9.325 -6.625 1.00 11.15 C ATOM 3454 O THR B 106 10.706 10.023 -6.209 1.00 22.14 O ATOM 3455 CB THR B 106 13.409 10.995 -7.201 1.00 64.02 C ATOM 3456 OG1 THR B 106 14.219 11.507 -8.271 1.00 75.42 O ATOM 3457 CG2 THR B 106 14.312 10.547 -6.058 1.00 1.53 C ATOM 0 H THR B 106 11.612 11.260 -8.896 1.00 61.44 H new ATOM 0 HA THR B 106 13.210 9.016 -8.043 1.00 51.52 H new ATOM 0 HB THR B 106 12.740 11.769 -6.824 1.00 64.02 H new ATOM 0 HG1 THR B 106 14.765 12.251 -7.941 1.00 75.42 H new ATOM 0 HG21 THR B 106 14.902 11.394 -5.707 1.00 1.53 H new ATOM 0 HG22 THR B 106 13.701 10.167 -5.239 1.00 1.53 H new ATOM 0 HG23 THR B 106 14.979 9.760 -6.409 1.00 1.53 H new ATOM 3465 N ILE B 107 11.879 8.136 -6.159 1.00 32.44 N ATOM 3466 CA ILE B 107 11.085 7.570 -5.097 1.00 33.51 C ATOM 3467 C ILE B 107 11.834 7.702 -3.791 1.00 20.45 C ATOM 3468 O ILE B 107 13.020 8.021 -3.782 1.00 32.40 O ATOM 3469 CB ILE B 107 10.766 6.058 -5.346 1.00 60.24 C ATOM 3470 CG1 ILE B 107 12.063 5.231 -5.428 1.00 4.00 C ATOM 3471 CG2 ILE B 107 9.930 5.880 -6.617 1.00 10.13 C ATOM 3472 CD1 ILE B 107 11.847 3.736 -5.584 1.00 23.25 C ATOM 0 H ILE B 107 12.627 7.531 -6.498 1.00 32.44 H new ATOM 0 HA ILE B 107 10.141 8.114 -5.062 1.00 33.51 H new ATOM 0 HB ILE B 107 10.182 5.693 -4.501 1.00 60.24 H new ATOM 0 HG12 ILE B 107 12.655 5.590 -6.270 1.00 4.00 H new ATOM 0 HG13 ILE B 107 12.650 5.409 -4.527 1.00 4.00 H new ATOM 0 HG21 ILE B 107 9.721 4.821 -6.770 1.00 10.13 H new ATOM 0 HG22 ILE B 107 8.991 6.424 -6.514 1.00 10.13 H new ATOM 0 HG23 ILE B 107 10.482 6.268 -7.473 1.00 10.13 H new ATOM 0 HD11 ILE B 107 12.812 3.232 -5.633 1.00 23.25 H new ATOM 0 HD12 ILE B 107 11.284 3.359 -4.730 1.00 23.25 H new ATOM 0 HD13 ILE B 107 11.289 3.543 -6.500 1.00 23.25 H new ATOM 3484 N LYS B 108 11.139 7.471 -2.707 1.00 5.30 N ATOM 3485 CA LYS B 108 11.684 7.645 -1.390 1.00 5.23 C ATOM 3486 C LYS B 108 11.599 6.312 -0.648 1.00 52.31 C ATOM 3487 O LYS B 108 10.522 5.740 -0.569 1.00 73.00 O ATOM 3488 CB LYS B 108 10.839 8.725 -0.689 1.00 71.31 C ATOM 3489 CG LYS B 108 11.290 9.157 0.673 1.00 12.03 C ATOM 3490 CD LYS B 108 12.736 9.577 0.723 1.00 5.35 C ATOM 3491 CE LYS B 108 13.150 9.761 2.162 1.00 52.30 C ATOM 3492 NZ LYS B 108 14.556 10.186 2.305 1.00 32.41 N ATOM 0 H LYS B 108 10.170 7.154 -2.716 1.00 5.30 H new ATOM 0 HA LYS B 108 12.729 7.955 -1.415 1.00 5.23 H new ATOM 0 HB2 LYS B 108 10.810 9.605 -1.332 1.00 71.31 H new ATOM 0 HB3 LYS B 108 9.816 8.356 -0.607 1.00 71.31 H new ATOM 0 HG2 LYS B 108 10.667 9.987 1.007 1.00 12.03 H new ATOM 0 HG3 LYS B 108 11.133 8.338 1.375 1.00 12.03 H new ATOM 0 HD2 LYS B 108 13.363 8.824 0.245 1.00 5.35 H new ATOM 0 HD3 LYS B 108 12.877 10.506 0.170 1.00 5.35 H new ATOM 0 HE2 LYS B 108 12.502 10.503 2.629 1.00 52.30 H new ATOM 0 HE3 LYS B 108 13.002 8.825 2.700 1.00 52.30 H new ATOM 0 HZ1 LYS B 108 14.784 10.297 3.314 1.00 32.41 H new ATOM 0 HZ2 LYS B 108 15.180 9.468 1.885 1.00 32.41 H new ATOM 0 HZ3 LYS B 108 14.696 11.094 1.817 1.00 32.41 H new ATOM 3506 N VAL B 109 12.729 5.817 -0.133 1.00 75.15 N ATOM 3507 CA VAL B 109 12.768 4.538 0.605 1.00 72.12 C ATOM 3508 C VAL B 109 13.321 4.805 2.005 1.00 42.11 C ATOM 3509 O VAL B 109 14.439 5.267 2.163 1.00 25.43 O ATOM 3510 CB VAL B 109 13.637 3.463 -0.108 1.00 12.42 C ATOM 3511 CG1 VAL B 109 13.530 2.130 0.615 1.00 21.02 C ATOM 3512 CG2 VAL B 109 13.244 3.293 -1.555 1.00 3.03 C ATOM 0 H VAL B 109 13.635 6.280 -0.211 1.00 75.15 H new ATOM 0 HA VAL B 109 11.754 4.142 0.653 1.00 72.12 H new ATOM 0 HB VAL B 109 14.670 3.809 -0.079 1.00 12.42 H new ATOM 0 HG11 VAL B 109 14.144 1.388 0.104 1.00 21.02 H new ATOM 0 HG12 VAL B 109 13.878 2.244 1.642 1.00 21.02 H new ATOM 0 HG13 VAL B 109 12.491 1.801 0.619 1.00 21.02 H new ATOM 0 HG21 VAL B 109 13.875 2.533 -2.017 1.00 3.03 H new ATOM 0 HG22 VAL B 109 12.201 2.983 -1.615 1.00 3.03 H new ATOM 0 HG23 VAL B 109 13.372 4.239 -2.080 1.00 3.03 H new ATOM 3522 N LEU B 110 12.535 4.522 2.982 1.00 64.24 N ATOM 3523 CA LEU B 110 12.787 4.897 4.364 1.00 42.34 C ATOM 3524 C LEU B 110 12.275 3.728 5.235 1.00 2.41 C ATOM 3525 O LEU B 110 11.233 3.193 4.934 1.00 11.32 O ATOM 3526 CB LEU B 110 11.911 6.174 4.461 1.00 45.11 C ATOM 3527 CG LEU B 110 11.612 7.017 5.702 1.00 72.01 C ATOM 3528 CD1 LEU B 110 10.496 7.965 5.323 1.00 10.32 C ATOM 3529 CD2 LEU B 110 11.221 6.226 6.918 1.00 54.32 C ATOM 0 H LEU B 110 11.664 4.006 2.857 1.00 64.24 H new ATOM 0 HA LEU B 110 13.815 5.081 4.676 1.00 42.34 H new ATOM 0 HB2 LEU B 110 12.342 6.870 3.741 1.00 45.11 H new ATOM 0 HB3 LEU B 110 10.935 5.880 4.075 1.00 45.11 H new ATOM 0 HG LEU B 110 12.529 7.532 5.990 1.00 72.01 H new ATOM 0 HD11 LEU B 110 10.244 8.592 6.179 1.00 10.32 H new ATOM 0 HD12 LEU B 110 10.819 8.595 4.495 1.00 10.32 H new ATOM 0 HD13 LEU B 110 9.619 7.392 5.022 1.00 10.32 H new ATOM 0 HD21 LEU B 110 11.028 6.906 7.748 1.00 54.32 H new ATOM 0 HD22 LEU B 110 10.320 5.650 6.704 1.00 54.32 H new ATOM 0 HD23 LEU B 110 12.030 5.547 7.186 1.00 54.32 H new ATOM 3541 N PRO B 111 12.993 3.287 6.292 1.00 25.13 N ATOM 3542 CA PRO B 111 12.521 2.176 7.109 1.00 64.12 C ATOM 3543 C PRO B 111 11.421 2.640 8.053 1.00 40.03 C ATOM 3544 O PRO B 111 11.582 3.638 8.767 1.00 71.30 O ATOM 3545 CB PRO B 111 13.764 1.727 7.877 1.00 21.03 C ATOM 3546 CG PRO B 111 14.640 2.936 7.955 1.00 51.34 C ATOM 3547 CD PRO B 111 14.271 3.840 6.792 1.00 13.54 C ATOM 0 HA PRO B 111 12.088 1.367 6.521 1.00 64.12 H new ATOM 0 HB2 PRO B 111 13.502 1.366 8.872 1.00 21.03 H new ATOM 0 HB3 PRO B 111 14.269 0.908 7.364 1.00 21.03 H new ATOM 0 HG2 PRO B 111 14.497 3.453 8.904 1.00 51.34 H new ATOM 0 HG3 PRO B 111 15.691 2.652 7.902 1.00 51.34 H new ATOM 0 HD2 PRO B 111 14.158 4.876 7.113 1.00 13.54 H new ATOM 0 HD3 PRO B 111 15.039 3.828 6.019 1.00 13.54 H new ATOM 3555 N LYS B 112 10.317 1.922 8.075 1.00 34.51 N ATOM 3556 CA LYS B 112 9.180 2.366 8.847 1.00 31.30 C ATOM 3557 C LYS B 112 9.474 2.265 10.345 1.00 14.30 C ATOM 3558 O LYS B 112 9.144 3.175 11.104 1.00 61.41 O ATOM 3559 CB LYS B 112 7.900 1.619 8.451 1.00 23.11 C ATOM 3560 CG LYS B 112 6.655 2.186 9.117 1.00 63.51 C ATOM 3561 CD LYS B 112 5.378 1.472 8.706 1.00 74.14 C ATOM 3562 CE LYS B 112 5.334 0.041 9.199 1.00 53.24 C ATOM 3563 NZ LYS B 112 4.059 -0.623 8.850 1.00 63.43 N ATOM 0 H LYS B 112 10.185 1.043 7.575 1.00 34.51 H new ATOM 0 HA LYS B 112 9.003 3.417 8.619 1.00 31.30 H new ATOM 0 HB2 LYS B 112 7.779 1.663 7.369 1.00 23.11 H new ATOM 0 HB3 LYS B 112 8.002 0.567 8.718 1.00 23.11 H new ATOM 0 HG2 LYS B 112 6.768 2.121 10.199 1.00 63.51 H new ATOM 0 HG3 LYS B 112 6.568 3.244 8.869 1.00 63.51 H new ATOM 0 HD2 LYS B 112 4.518 2.015 9.098 1.00 74.14 H new ATOM 0 HD3 LYS B 112 5.293 1.482 7.619 1.00 74.14 H new ATOM 0 HE2 LYS B 112 6.164 -0.518 8.767 1.00 53.24 H new ATOM 0 HE3 LYS B 112 5.467 0.025 10.281 1.00 53.24 H new ATOM 0 HZ1 LYS B 112 3.711 -1.159 9.670 1.00 63.43 H new ATOM 0 HZ2 LYS B 112 3.356 0.095 8.581 1.00 63.43 H new ATOM 0 HZ3 LYS B 112 4.213 -1.272 8.052 1.00 63.43 H new