USER MOD reduce.3.24.130724 H: found=0, std=0, add=1307, rem=0, adj=44 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 62 SER OG : rot -118:sc= 0.867 USER MOD Set 1.2: B 90 SER OG : rot 180:sc= -1.63! USER MOD Set 2.1: B 56 HIS : no HD1:sc= 0 X(o=-0.15,f=-0.15) USER MOD Set 2.2: B 60 CYS SG : rot 180:sc= 0 USER MOD Set 2.3: B 97 MET CE :methyl -164:sc= -0.153 (180deg=-0.514) USER MOD Set 3.1: B 46 TYR OH : rot 180:sc= 0.0119 USER MOD Set 3.2: B 72 LYS NZ :NH3+ -172:sc= 0.754 (180deg=0.721) USER MOD Set 4.1: B 38 SER OG : rot 121:sc= -1.88! USER MOD Set 4.2: B 112 LYS NZ :NH3+ -105:sc= 1.24 (180deg=-1.17) USER MOD Set 5.1: A 56 HIS : no HD1:sc= 0.00355 X(o=-0.86,f=-1) USER MOD Set 5.2: A 60 CYS SG : rot -111:sc= -0.748 USER MOD Set 5.3: A 97 MET CE :methyl -142:sc= -0.115 (180deg=-0.512) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -105:sc= 1.2 USER MOD Single : A 40 TYR OH : rot -178:sc= -0.558 USER MOD Single : A 43 ASN : amide:sc= 0.818 K(o=0.82,f=-1.2) USER MOD Single : A 46 TYR OH : rot 68:sc= 0.791 USER MOD Single : A 48 SER OG : rot 117:sc= 0.0022 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.0642 USER MOD Single : A 51 GLN : amide:sc= -0.489 X(o=-0.49,f=-0.097) 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 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -3.82! C(o=-3.8!,f=-8.7!) USER MOD Single : A 67 THR OG1 : rot 86:sc= 1.06 USER MOD Single : A 70 CYS SG : rot 180:sc= -0.05 USER MOD Single : A 72 LYS NZ :NH3+ 168:sc= 0.98 (180deg=0.297) USER MOD Single : A 74 SER OG : rot -28:sc= 0.223 USER MOD Single : A 76 HIS : no HD1:sc=-0.000797 X(o=-0.0008,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot -179:sc= 2.21 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -0.601 X(o=-0.6,f=-0.24) USER MOD Single : A 90 SER OG : rot 180:sc= -0.04 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ -163:sc= 0.577 (180deg=0.352) USER MOD Single : A 112 LYS NZ :NH3+ 139:sc= 1.11 (180deg=-0.613) USER MOD Single : B 24 GLN : amide:sc= -0.576 X(o=-0.58,f=-0.85) USER MOD Single : B 27 SER OG : rot 180:sc=-0.00593 USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 LYS NZ :NH3+ -164:sc= -0.105 (180deg=-0.409) USER MOD Single : B 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 40 TYR OH : rot 180:sc= -0.173 USER MOD Single : B 43 ASN : amide:sc= 1.05 K(o=1.1,f=-3.6!) USER MOD Single : B 48 SER OG : rot 120:sc= 0 USER MOD Single : B 49 THR OG1 : rot 145:sc= 0.376 USER MOD Single : B 51 GLN : amide:sc= -1.2 K(o=-1.2,f=-2.1) USER MOD Single : B 58 SER OG : rot 20:sc= 0.0445 USER MOD Single : B 59 SER OG : rot 180:sc= 0 USER MOD Single : B 64 ASN : amide:sc= -3.17! C(o=-3.2!,f=-5.8!) USER MOD Single : B 67 THR OG1 : rot 87:sc= 0.888 USER MOD Single : B 70 CYS SG : rot 180:sc= 0 USER MOD Single : B 74 SER OG : rot 10:sc= 0.0853 USER MOD Single : B 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 80 TYR OH : rot -146:sc= 2.13 USER MOD Single : B 82 TYR OH : rot 60:sc= 0.327 USER MOD Single : B 89 ASN : amide:sc= -0.622! C(o=-0.62!,f=-3.3!) USER MOD Single : B 100 THR OG1 : rot -66:sc= 1.28 USER MOD Single : B 106 THR OG1 : rot 180:sc= 0 USER MOD Single : B 108 LYS NZ :NH3+ -174:sc= 0.938 (180deg=0.921) USER MOD ----------------------------------------------------------------- ATOM 468 N GLU A 33 -14.415 7.868 9.482 1.00 43.00 N ATOM 469 CA GLU A 33 -15.109 7.844 8.221 1.00 73.21 C ATOM 470 C GLU A 33 -14.463 6.955 7.189 1.00 12.20 C ATOM 471 O GLU A 33 -15.155 6.237 6.498 1.00 61.30 O ATOM 472 CB GLU A 33 -15.417 9.219 7.679 1.00 25.20 C ATOM 473 CG GLU A 33 -16.318 10.010 8.593 1.00 15.20 C ATOM 474 CD GLU A 33 -16.842 11.250 7.956 1.00 44.30 C ATOM 475 OE1 GLU A 33 -16.126 12.259 7.924 1.00 64.42 O ATOM 476 OE2 GLU A 33 -18.010 11.224 7.492 1.00 41.30 O ATOM 0 HA GLU A 33 -16.071 7.384 8.449 1.00 73.21 H new ATOM 0 HB2 GLU A 33 -14.485 9.765 7.531 1.00 25.20 H new ATOM 0 HB3 GLU A 33 -15.890 9.123 6.701 1.00 25.20 H new ATOM 0 HG2 GLU A 33 -17.155 9.384 8.901 1.00 15.20 H new ATOM 0 HG3 GLU A 33 -15.769 10.275 9.496 1.00 15.20 H new ATOM 483 N ILE A 34 -13.148 6.973 7.103 1.00 34.32 N ATOM 484 CA ILE A 34 -12.453 6.128 6.133 1.00 43.15 C ATOM 485 C ILE A 34 -12.697 4.660 6.435 1.00 63.10 C ATOM 486 O ILE A 34 -12.798 3.846 5.533 1.00 44.11 O ATOM 487 CB ILE A 34 -10.946 6.459 5.940 1.00 63.23 C ATOM 488 CG1 ILE A 34 -10.156 6.323 7.248 1.00 42.52 C ATOM 489 CG2 ILE A 34 -10.785 7.853 5.331 1.00 74.20 C ATOM 490 CD1 ILE A 34 -8.710 6.766 7.141 1.00 45.04 C ATOM 0 H ILE A 34 -12.540 7.553 7.681 1.00 34.32 H new ATOM 0 HA ILE A 34 -12.891 6.359 5.162 1.00 43.15 H new ATOM 0 HB ILE A 34 -10.528 5.729 5.247 1.00 63.23 H new ATOM 0 HG12 ILE A 34 -10.650 6.911 8.022 1.00 42.52 H new ATOM 0 HG13 ILE A 34 -10.184 5.282 7.571 1.00 42.52 H new ATOM 0 HG21 ILE A 34 -9.725 8.073 5.201 1.00 74.20 H new ATOM 0 HG22 ILE A 34 -11.284 7.887 4.363 1.00 74.20 H new ATOM 0 HG23 ILE A 34 -11.230 8.594 5.995 1.00 74.20 H new ATOM 0 HD11 ILE A 34 -8.218 6.640 8.106 1.00 45.04 H new ATOM 0 HD12 ILE A 34 -8.199 6.162 6.391 1.00 45.04 H new ATOM 0 HD13 ILE A 34 -8.672 7.815 6.849 1.00 45.04 H new ATOM 502 N ASP A 35 -12.819 4.347 7.719 1.00 52.42 N ATOM 503 CA ASP A 35 -13.151 2.995 8.177 1.00 31.23 C ATOM 504 C ASP A 35 -14.616 2.670 7.771 1.00 42.25 C ATOM 505 O ASP A 35 -14.922 1.576 7.355 1.00 11.23 O ATOM 506 CB ASP A 35 -12.975 2.931 9.711 1.00 61.22 C ATOM 507 CG ASP A 35 -13.227 1.558 10.340 1.00 53.31 C ATOM 508 OD1 ASP A 35 -12.303 0.722 10.363 1.00 4.42 O ATOM 509 OD2 ASP A 35 -14.337 1.333 10.895 1.00 4.12 O ATOM 0 H ASP A 35 -12.692 5.020 8.475 1.00 52.42 H new ATOM 0 HA ASP A 35 -12.491 2.259 7.718 1.00 31.23 H new ATOM 0 HB2 ASP A 35 -11.961 3.245 9.958 1.00 61.22 H new ATOM 0 HB3 ASP A 35 -13.652 3.652 10.169 1.00 61.22 H new ATOM 514 N LYS A 36 -15.494 3.674 7.870 1.00 51.21 N ATOM 515 CA LYS A 36 -16.928 3.537 7.488 1.00 42.31 C ATOM 516 C LYS A 36 -17.165 3.303 6.004 1.00 23.52 C ATOM 517 O LYS A 36 -17.998 2.496 5.631 1.00 55.42 O ATOM 518 CB LYS A 36 -17.711 4.802 7.830 1.00 52.40 C ATOM 519 CG LYS A 36 -18.171 4.964 9.217 1.00 41.01 C ATOM 520 CD LYS A 36 -18.901 6.282 9.352 1.00 15.25 C ATOM 521 CE LYS A 36 -19.135 6.608 10.786 1.00 41.04 C ATOM 522 NZ LYS A 36 -19.833 7.895 10.959 1.00 11.12 N ATOM 0 H LYS A 36 -15.246 4.602 8.213 1.00 51.21 H new ATOM 0 HA LYS A 36 -17.262 2.665 8.051 1.00 42.31 H new ATOM 0 HB2 LYS A 36 -17.088 5.661 7.580 1.00 52.40 H new ATOM 0 HB3 LYS A 36 -18.585 4.842 7.179 1.00 52.40 H new ATOM 0 HG2 LYS A 36 -18.830 4.141 9.492 1.00 41.01 H new ATOM 0 HG3 LYS A 36 -17.322 4.934 9.900 1.00 41.01 H new ATOM 0 HD2 LYS A 36 -18.319 7.076 8.883 1.00 15.25 H new ATOM 0 HD3 LYS A 36 -19.854 6.232 8.825 1.00 15.25 H new ATOM 0 HE2 LYS A 36 -19.723 5.814 11.246 1.00 41.04 H new ATOM 0 HE3 LYS A 36 -18.180 6.642 11.310 1.00 41.04 H new ATOM 0 HZ1 LYS A 36 -19.974 8.080 11.973 1.00 11.12 H new ATOM 0 HZ2 LYS A 36 -19.262 8.658 10.544 1.00 11.12 H new ATOM 0 HZ3 LYS A 36 -20.757 7.856 10.483 1.00 11.12 H new ATOM 536 N ARG A 37 -16.445 4.010 5.169 1.00 5.12 N ATOM 537 CA ARG A 37 -16.751 4.038 3.732 1.00 73.02 C ATOM 538 C ARG A 37 -15.778 3.147 2.919 1.00 34.52 C ATOM 539 O ARG A 37 -15.658 3.295 1.708 1.00 30.42 O ATOM 540 CB ARG A 37 -16.753 5.539 3.246 1.00 64.54 C ATOM 541 CG ARG A 37 -15.399 6.190 3.381 1.00 62.24 C ATOM 542 CD ARG A 37 -15.400 7.638 3.932 1.00 61.31 C ATOM 543 NE ARG A 37 -16.023 8.676 3.111 1.00 24.30 N ATOM 544 CZ ARG A 37 -15.970 10.005 3.440 1.00 11.02 C ATOM 545 NH1 ARG A 37 -15.328 10.395 4.535 1.00 75.40 N ATOM 546 NH2 ARG A 37 -16.530 10.912 2.670 1.00 51.44 N ATOM 0 H ARG A 37 -15.643 4.577 5.443 1.00 5.12 H new ATOM 0 HA ARG A 37 -17.740 3.614 3.560 1.00 73.02 H new ATOM 0 HB2 ARG A 37 -17.070 5.580 2.204 1.00 64.54 H new ATOM 0 HB3 ARG A 37 -17.484 6.104 3.824 1.00 64.54 H new ATOM 0 HG2 ARG A 37 -14.783 5.573 4.035 1.00 62.24 H new ATOM 0 HG3 ARG A 37 -14.919 6.194 2.402 1.00 62.24 H new ATOM 0 HD2 ARG A 37 -15.902 7.629 4.899 1.00 61.31 H new ATOM 0 HD3 ARG A 37 -14.365 7.929 4.113 1.00 61.31 H new ATOM 0 HE ARG A 37 -16.515 8.400 2.261 1.00 24.30 H new ATOM 0 HH11 ARG A 37 -14.873 9.705 5.133 1.00 75.40 H new ATOM 0 HH12 ARG A 37 -15.290 11.385 4.778 1.00 75.40 H new ATOM 0 HH21 ARG A 37 -17.011 10.629 1.816 1.00 51.44 H new ATOM 0 HH22 ARG A 37 -16.483 11.898 2.927 1.00 51.44 H new ATOM 560 N SER A 38 -15.110 2.219 3.595 1.00 10.10 N ATOM 561 CA SER A 38 -14.187 1.299 2.927 1.00 11.12 C ATOM 562 C SER A 38 -14.690 -0.165 2.886 1.00 34.05 C ATOM 563 O SER A 38 -15.636 -0.545 3.593 1.00 0.32 O ATOM 564 CB SER A 38 -12.807 1.400 3.555 1.00 22.11 C ATOM 565 OG SER A 38 -12.866 1.196 4.955 1.00 1.23 O ATOM 0 H SER A 38 -15.188 2.081 4.603 1.00 10.10 H new ATOM 0 HA SER A 38 -14.129 1.609 1.884 1.00 11.12 H new ATOM 0 HB2 SER A 38 -12.145 0.661 3.105 1.00 22.11 H new ATOM 0 HB3 SER A 38 -12.380 2.381 3.345 1.00 22.11 H new ATOM 0 HG SER A 38 -12.756 2.054 5.416 1.00 1.23 H new ATOM 571 N VAL A 39 -14.023 -0.976 2.066 1.00 52.40 N ATOM 572 CA VAL A 39 -14.371 -2.384 1.831 1.00 73.44 C ATOM 573 C VAL A 39 -13.136 -3.268 1.730 1.00 13.20 C ATOM 574 O VAL A 39 -12.024 -2.779 1.559 1.00 14.04 O ATOM 575 CB VAL A 39 -15.223 -2.594 0.544 1.00 40.34 C ATOM 576 CG1 VAL A 39 -16.626 -2.102 0.735 1.00 73.23 C ATOM 577 CG2 VAL A 39 -14.602 -1.870 -0.623 1.00 64.33 C ATOM 0 H VAL A 39 -13.208 -0.670 1.534 1.00 52.40 H new ATOM 0 HA VAL A 39 -14.965 -2.671 2.699 1.00 73.44 H new ATOM 0 HB VAL A 39 -15.249 -3.665 0.340 1.00 40.34 H new ATOM 0 HG11 VAL A 39 -17.196 -2.262 -0.180 1.00 73.23 H new ATOM 0 HG12 VAL A 39 -17.095 -2.648 1.554 1.00 73.23 H new ATOM 0 HG13 VAL A 39 -16.610 -1.038 0.970 1.00 73.23 H new ATOM 0 HG21 VAL A 39 -15.210 -2.027 -1.514 1.00 64.33 H new ATOM 0 HG22 VAL A 39 -14.549 -0.804 -0.403 1.00 64.33 H new ATOM 0 HG23 VAL A 39 -13.597 -2.255 -0.797 1.00 64.33 H new ATOM 587 N TYR A 40 -13.361 -4.554 1.830 1.00 21.11 N ATOM 588 CA TYR A 40 -12.352 -5.584 1.697 1.00 72.25 C ATOM 589 C TYR A 40 -12.593 -6.322 0.415 1.00 42.40 C ATOM 590 O TYR A 40 -13.698 -6.775 0.172 1.00 22.13 O ATOM 591 CB TYR A 40 -12.428 -6.592 2.871 1.00 62.51 C ATOM 592 CG TYR A 40 -11.704 -7.927 2.602 1.00 41.12 C ATOM 593 CD1 TYR A 40 -10.335 -8.066 2.760 1.00 42.44 C ATOM 594 CD2 TYR A 40 -12.423 -9.039 2.167 1.00 63.11 C ATOM 595 CE1 TYR A 40 -9.708 -9.269 2.498 1.00 15.11 C ATOM 596 CE2 TYR A 40 -11.818 -10.235 1.902 1.00 24.24 C ATOM 597 CZ TYR A 40 -10.452 -10.352 2.069 1.00 41.23 C ATOM 598 OH TYR A 40 -9.820 -11.555 1.808 1.00 72.24 O ATOM 0 H TYR A 40 -14.291 -4.931 2.014 1.00 21.11 H new ATOM 0 HA TYR A 40 -11.368 -5.115 1.703 1.00 72.25 H new ATOM 0 HB2 TYR A 40 -11.998 -6.131 3.760 1.00 62.51 H new ATOM 0 HB3 TYR A 40 -13.475 -6.797 3.093 1.00 62.51 H new ATOM 0 HD1 TYR A 40 -9.749 -7.222 3.093 1.00 42.44 H new ATOM 0 HD2 TYR A 40 -13.491 -8.953 2.035 1.00 63.11 H new ATOM 0 HE1 TYR A 40 -8.640 -9.363 2.628 1.00 15.11 H new ATOM 0 HE2 TYR A 40 -12.401 -11.079 1.566 1.00 24.24 H new ATOM 0 HH TYR A 40 -10.477 -12.207 1.486 1.00 72.24 H new ATOM 608 N VAL A 41 -11.588 -6.418 -0.390 1.00 4.12 N ATOM 609 CA VAL A 41 -11.617 -7.161 -1.615 1.00 33.03 C ATOM 610 C VAL A 41 -10.625 -8.306 -1.488 1.00 24.45 C ATOM 611 O VAL A 41 -9.414 -8.076 -1.400 1.00 75.41 O ATOM 612 CB VAL A 41 -11.191 -6.253 -2.786 1.00 53.02 C ATOM 613 CG1 VAL A 41 -11.179 -7.010 -4.109 1.00 5.12 C ATOM 614 CG2 VAL A 41 -12.074 -5.031 -2.868 1.00 32.31 C ATOM 0 H VAL A 41 -10.691 -5.967 -0.211 1.00 4.12 H new ATOM 0 HA VAL A 41 -12.623 -7.536 -1.805 1.00 33.03 H new ATOM 0 HB VAL A 41 -10.171 -5.923 -2.591 1.00 53.02 H new ATOM 0 HG11 VAL A 41 -10.874 -6.337 -4.910 1.00 5.12 H new ATOM 0 HG12 VAL A 41 -10.477 -7.841 -4.046 1.00 5.12 H new ATOM 0 HG13 VAL A 41 -12.178 -7.394 -4.318 1.00 5.12 H new ATOM 0 HG21 VAL A 41 -11.754 -4.406 -3.702 1.00 32.31 H new ATOM 0 HG22 VAL A 41 -13.108 -5.339 -3.022 1.00 32.31 H new ATOM 0 HG23 VAL A 41 -11.998 -4.464 -1.940 1.00 32.31 H new ATOM 624 N GLY A 42 -11.114 -9.514 -1.441 1.00 34.53 N ATOM 625 CA GLY A 42 -10.231 -10.628 -1.243 1.00 25.32 C ATOM 626 C GLY A 42 -10.269 -11.664 -2.335 1.00 73.32 C ATOM 627 O GLY A 42 -10.991 -11.520 -3.331 1.00 52.13 O ATOM 0 H GLY A 42 -12.102 -9.750 -1.535 1.00 34.53 H new ATOM 0 HA2 GLY A 42 -9.211 -10.254 -1.151 1.00 25.32 H new ATOM 0 HA3 GLY A 42 -10.481 -11.108 -0.297 1.00 25.32 H new ATOM 631 N ASN A 43 -9.483 -12.719 -2.106 1.00 61.33 N ATOM 632 CA ASN A 43 -9.267 -13.880 -2.997 1.00 24.54 C ATOM 633 C ASN A 43 -8.408 -13.528 -4.224 1.00 10.24 C ATOM 634 O ASN A 43 -7.986 -14.405 -4.977 1.00 21.43 O ATOM 635 CB ASN A 43 -10.583 -14.585 -3.407 1.00 52.20 C ATOM 636 CG ASN A 43 -10.332 -15.916 -4.127 1.00 42.02 C ATOM 637 OD1 ASN A 43 -9.356 -16.622 -3.848 1.00 24.43 O ATOM 638 ND2 ASN A 43 -11.175 -16.263 -5.043 1.00 30.11 N ATOM 0 H ASN A 43 -8.944 -12.798 -1.243 1.00 61.33 H new ATOM 0 HA ASN A 43 -8.703 -14.600 -2.404 1.00 24.54 H new ATOM 0 HB2 ASN A 43 -11.188 -14.764 -2.518 1.00 52.20 H new ATOM 0 HB3 ASN A 43 -11.158 -13.926 -4.057 1.00 52.20 H new ATOM 0 HD21 ASN A 43 -11.043 -17.136 -5.554 1.00 30.11 H new ATOM 0 HD22 ASN A 43 -11.973 -15.664 -5.255 1.00 30.11 H new ATOM 645 N VAL A 44 -8.117 -12.256 -4.397 1.00 63.11 N ATOM 646 CA VAL A 44 -7.321 -11.807 -5.514 1.00 62.21 C ATOM 647 C VAL A 44 -5.840 -12.119 -5.258 1.00 3.53 C ATOM 648 O VAL A 44 -5.172 -11.444 -4.506 1.00 42.42 O ATOM 649 CB VAL A 44 -7.585 -10.306 -5.834 1.00 62.25 C ATOM 650 CG1 VAL A 44 -7.330 -9.388 -4.633 1.00 44.23 C ATOM 651 CG2 VAL A 44 -6.786 -9.879 -7.026 1.00 40.12 C ATOM 0 H VAL A 44 -8.424 -11.511 -3.771 1.00 63.11 H new ATOM 0 HA VAL A 44 -7.618 -12.354 -6.409 1.00 62.21 H new ATOM 0 HB VAL A 44 -8.645 -10.209 -6.069 1.00 62.25 H new ATOM 0 HG11 VAL A 44 -7.530 -8.355 -4.916 1.00 44.23 H new ATOM 0 HG12 VAL A 44 -7.987 -9.673 -3.811 1.00 44.23 H new ATOM 0 HG13 VAL A 44 -6.291 -9.483 -4.317 1.00 44.23 H new ATOM 0 HG21 VAL A 44 -6.981 -8.828 -7.237 1.00 40.12 H new ATOM 0 HG22 VAL A 44 -5.724 -10.017 -6.821 1.00 40.12 H new ATOM 0 HG23 VAL A 44 -7.070 -10.481 -7.889 1.00 40.12 H new ATOM 661 N ASP A 45 -5.324 -13.151 -5.904 1.00 34.42 N ATOM 662 CA ASP A 45 -4.009 -13.643 -5.523 1.00 60.52 C ATOM 663 C ASP A 45 -2.870 -12.859 -6.100 1.00 12.33 C ATOM 664 O ASP A 45 -2.355 -13.200 -7.179 1.00 62.03 O ATOM 665 CB ASP A 45 -3.792 -15.130 -5.853 1.00 64.04 C ATOM 666 CG ASP A 45 -4.741 -16.068 -5.168 1.00 32.43 C ATOM 667 OD1 ASP A 45 -4.564 -16.351 -3.961 1.00 61.02 O ATOM 668 OD2 ASP A 45 -5.677 -16.557 -5.835 1.00 72.21 O ATOM 0 H ASP A 45 -5.776 -13.651 -6.670 1.00 34.42 H new ATOM 0 HA ASP A 45 -4.006 -13.511 -4.441 1.00 60.52 H new ATOM 0 HB2 ASP A 45 -3.882 -15.266 -6.931 1.00 64.04 H new ATOM 0 HB3 ASP A 45 -2.772 -15.404 -5.581 1.00 64.04 H new ATOM 673 N TYR A 46 -2.543 -11.769 -5.420 1.00 44.43 N ATOM 674 CA TYR A 46 -1.266 -11.045 -5.590 1.00 71.11 C ATOM 675 C TYR A 46 -1.080 -10.311 -6.973 1.00 53.14 C ATOM 676 O TYR A 46 -0.286 -9.375 -7.076 1.00 52.02 O ATOM 677 CB TYR A 46 -0.144 -12.096 -5.348 1.00 22.31 C ATOM 678 CG TYR A 46 1.281 -11.656 -5.493 1.00 72.33 C ATOM 679 CD1 TYR A 46 1.980 -11.165 -4.413 1.00 41.42 C ATOM 680 CD2 TYR A 46 1.938 -11.771 -6.707 1.00 73.12 C ATOM 681 CE1 TYR A 46 3.293 -10.787 -4.528 1.00 5.23 C ATOM 682 CE2 TYR A 46 3.249 -11.402 -6.842 1.00 63.54 C ATOM 683 CZ TYR A 46 3.931 -10.911 -5.757 1.00 42.34 C ATOM 684 OH TYR A 46 5.250 -10.539 -5.906 1.00 10.35 O ATOM 0 H TYR A 46 -3.157 -11.348 -4.723 1.00 44.43 H new ATOM 0 HA TYR A 46 -1.236 -10.222 -4.876 1.00 71.11 H new ATOM 0 HB2 TYR A 46 -0.270 -12.491 -4.340 1.00 22.31 H new ATOM 0 HB3 TYR A 46 -0.309 -12.924 -6.038 1.00 22.31 H new ATOM 0 HD1 TYR A 46 1.485 -11.076 -3.457 1.00 41.42 H new ATOM 0 HD2 TYR A 46 1.406 -12.159 -7.563 1.00 73.12 H new ATOM 0 HE1 TYR A 46 3.826 -10.397 -3.673 1.00 5.23 H new ATOM 0 HE2 TYR A 46 3.744 -11.497 -7.797 1.00 63.54 H new ATOM 0 HH TYR A 46 5.823 -11.156 -5.404 1.00 10.35 H new ATOM 694 N GLY A 47 -1.818 -10.706 -7.993 1.00 51.02 N ATOM 695 CA GLY A 47 -1.534 -10.218 -9.329 1.00 15.44 C ATOM 696 C GLY A 47 -2.467 -9.155 -9.886 1.00 44.10 C ATOM 697 O GLY A 47 -2.344 -8.800 -11.069 1.00 10.51 O ATOM 0 H GLY A 47 -2.605 -11.352 -7.926 1.00 51.02 H new ATOM 0 HA2 GLY A 47 -0.521 -9.817 -9.335 1.00 15.44 H new ATOM 0 HA3 GLY A 47 -1.544 -11.069 -10.010 1.00 15.44 H new ATOM 701 N SER A 48 -3.406 -8.654 -9.114 1.00 70.32 N ATOM 702 CA SER A 48 -4.241 -7.591 -9.640 1.00 3.55 C ATOM 703 C SER A 48 -3.583 -6.239 -9.383 1.00 62.10 C ATOM 704 O SER A 48 -2.873 -6.054 -8.386 1.00 20.31 O ATOM 705 CB SER A 48 -5.648 -7.634 -9.073 1.00 43.44 C ATOM 706 OG SER A 48 -6.504 -6.747 -9.765 1.00 4.43 O ATOM 0 H SER A 48 -3.608 -8.948 -8.158 1.00 70.32 H new ATOM 0 HA SER A 48 -4.336 -7.740 -10.716 1.00 3.55 H new ATOM 0 HB2 SER A 48 -6.040 -8.649 -9.141 1.00 43.44 H new ATOM 0 HB3 SER A 48 -5.625 -7.371 -8.015 1.00 43.44 H new ATOM 0 HG SER A 48 -7.214 -7.257 -10.208 1.00 4.43 H new ATOM 712 N THR A 49 -3.802 -5.316 -10.280 1.00 11.25 N ATOM 713 CA THR A 49 -3.179 -4.023 -10.211 1.00 41.21 C ATOM 714 C THR A 49 -4.113 -2.992 -9.575 1.00 50.44 C ATOM 715 O THR A 49 -5.334 -3.177 -9.571 1.00 71.33 O ATOM 716 CB THR A 49 -2.780 -3.577 -11.622 1.00 31.24 C ATOM 717 OG1 THR A 49 -3.951 -3.490 -12.443 1.00 24.22 O ATOM 718 CG2 THR A 49 -1.859 -4.603 -12.238 1.00 13.43 C ATOM 0 H THR A 49 -4.420 -5.441 -11.082 1.00 11.25 H new ATOM 0 HA THR A 49 -2.290 -4.097 -9.584 1.00 41.21 H new ATOM 0 HB THR A 49 -2.282 -2.609 -11.558 1.00 31.24 H new ATOM 0 HG1 THR A 49 -3.697 -3.203 -13.345 1.00 24.22 H new ATOM 0 HG21 THR A 49 -1.577 -4.283 -13.241 1.00 13.43 H new ATOM 0 HG22 THR A 49 -0.964 -4.704 -11.624 1.00 13.43 H new ATOM 0 HG23 THR A 49 -2.370 -5.564 -12.294 1.00 13.43 H new ATOM 726 N ALA A 50 -3.549 -1.898 -9.058 1.00 3.11 N ATOM 727 CA ALA A 50 -4.319 -0.866 -8.379 1.00 50.32 C ATOM 728 C ALA A 50 -5.272 -0.177 -9.346 1.00 25.31 C ATOM 729 O ALA A 50 -6.449 -0.022 -9.056 1.00 34.55 O ATOM 730 CB ALA A 50 -3.359 0.147 -7.751 1.00 54.31 C ATOM 0 H ALA A 50 -2.548 -1.707 -9.101 1.00 3.11 H new ATOM 0 HA ALA A 50 -4.921 -1.326 -7.595 1.00 50.32 H new ATOM 0 HB1 ALA A 50 -3.931 0.922 -7.241 1.00 54.31 H new ATOM 0 HB2 ALA A 50 -2.714 -0.360 -7.033 1.00 54.31 H new ATOM 0 HB3 ALA A 50 -2.748 0.601 -8.531 1.00 54.31 H new ATOM 736 N GLN A 51 -4.753 0.219 -10.496 1.00 24.44 N ATOM 737 CA GLN A 51 -5.547 0.883 -11.533 1.00 64.43 C ATOM 738 C GLN A 51 -6.732 0.029 -11.995 1.00 41.11 C ATOM 739 O GLN A 51 -7.835 0.554 -12.208 1.00 12.24 O ATOM 740 CB GLN A 51 -4.608 1.298 -12.703 1.00 35.25 C ATOM 741 CG GLN A 51 -5.260 1.948 -13.942 1.00 30.41 C ATOM 742 CD GLN A 51 -5.673 0.957 -15.032 1.00 72.33 C ATOM 743 OE1 GLN A 51 -4.909 0.673 -15.902 1.00 20.30 O ATOM 744 NE2 GLN A 51 -6.845 0.439 -14.985 1.00 34.42 N ATOM 0 H GLN A 51 -3.772 0.093 -10.743 1.00 24.44 H new ATOM 0 HA GLN A 51 -5.997 1.784 -11.115 1.00 64.43 H new ATOM 0 HB2 GLN A 51 -3.866 1.993 -12.309 1.00 35.25 H new ATOM 0 HB3 GLN A 51 -4.069 0.410 -13.033 1.00 35.25 H new ATOM 0 HG2 GLN A 51 -6.140 2.507 -13.623 1.00 30.41 H new ATOM 0 HG3 GLN A 51 -4.562 2.669 -14.369 1.00 30.41 H new ATOM 0 HE21 GLN A 51 -7.485 0.694 -14.233 1.00 34.42 H new ATOM 0 HE22 GLN A 51 -7.137 -0.228 -15.699 1.00 34.42 H new ATOM 753 N ASP A 52 -6.509 -1.261 -12.134 1.00 54.01 N ATOM 754 CA ASP A 52 -7.565 -2.192 -12.577 1.00 31.22 C ATOM 755 C ASP A 52 -8.623 -2.355 -11.492 1.00 1.32 C ATOM 756 O ASP A 52 -9.825 -2.393 -11.771 1.00 71.03 O ATOM 757 CB ASP A 52 -6.955 -3.534 -12.942 1.00 3.42 C ATOM 758 CG ASP A 52 -7.936 -4.526 -13.526 1.00 72.12 C ATOM 759 OD1 ASP A 52 -8.267 -4.402 -14.727 1.00 0.52 O ATOM 760 OD2 ASP A 52 -8.311 -5.465 -12.848 1.00 52.12 O ATOM 0 H ASP A 52 -5.609 -1.704 -11.950 1.00 54.01 H new ATOM 0 HA ASP A 52 -8.050 -1.779 -13.462 1.00 31.22 H new ATOM 0 HB2 ASP A 52 -6.151 -3.371 -13.659 1.00 3.42 H new ATOM 0 HB3 ASP A 52 -6.504 -3.969 -12.050 1.00 3.42 H new ATOM 765 N LEU A 53 -8.164 -2.384 -10.253 1.00 23.24 N ATOM 766 CA LEU A 53 -9.043 -2.510 -9.100 1.00 64.25 C ATOM 767 C LEU A 53 -9.876 -1.266 -8.910 1.00 14.33 C ATOM 768 O LEU A 53 -11.099 -1.345 -8.725 1.00 33.30 O ATOM 769 CB LEU A 53 -8.210 -2.778 -7.843 1.00 2.44 C ATOM 770 CG LEU A 53 -7.704 -4.195 -7.679 1.00 62.53 C ATOM 771 CD1 LEU A 53 -6.653 -4.252 -6.584 1.00 30.21 C ATOM 772 CD2 LEU A 53 -8.879 -5.083 -7.308 1.00 42.12 C ATOM 0 H LEU A 53 -7.174 -2.321 -10.016 1.00 23.24 H new ATOM 0 HA LEU A 53 -9.720 -3.346 -9.275 1.00 64.25 H new ATOM 0 HB2 LEU A 53 -7.353 -2.104 -7.847 1.00 2.44 H new ATOM 0 HB3 LEU A 53 -8.811 -2.523 -6.970 1.00 2.44 H new ATOM 0 HG LEU A 53 -7.252 -4.536 -8.610 1.00 62.53 H new ATOM 0 HD11 LEU A 53 -6.296 -5.276 -6.475 1.00 30.21 H new ATOM 0 HD12 LEU A 53 -5.818 -3.603 -6.847 1.00 30.21 H new ATOM 0 HD13 LEU A 53 -7.090 -3.918 -5.643 1.00 30.21 H new ATOM 0 HD21 LEU A 53 -8.535 -6.110 -7.185 1.00 42.12 H new ATOM 0 HD22 LEU A 53 -9.318 -4.733 -6.374 1.00 42.12 H new ATOM 0 HD23 LEU A 53 -9.628 -5.044 -8.098 1.00 42.12 H new ATOM 784 N GLU A 54 -9.224 -0.127 -8.974 1.00 23.31 N ATOM 785 CA GLU A 54 -9.861 1.153 -8.794 1.00 42.43 C ATOM 786 C GLU A 54 -10.909 1.388 -9.859 1.00 21.34 C ATOM 787 O GLU A 54 -12.015 1.737 -9.544 1.00 41.43 O ATOM 788 CB GLU A 54 -8.750 2.214 -8.806 1.00 13.20 C ATOM 789 CG GLU A 54 -9.114 3.658 -8.414 1.00 65.14 C ATOM 790 CD GLU A 54 -9.888 4.430 -9.459 1.00 54.34 C ATOM 791 OE1 GLU A 54 -9.835 4.076 -10.639 1.00 21.43 O ATOM 792 OE2 GLU A 54 -10.487 5.462 -9.122 1.00 62.15 O ATOM 0 H GLU A 54 -8.222 -0.066 -9.155 1.00 23.31 H new ATOM 0 HA GLU A 54 -10.396 1.201 -7.846 1.00 42.43 H new ATOM 0 HB2 GLU A 54 -7.961 1.876 -8.134 1.00 13.20 H new ATOM 0 HB3 GLU A 54 -8.325 2.239 -9.810 1.00 13.20 H new ATOM 0 HG2 GLU A 54 -9.700 3.632 -7.495 1.00 65.14 H new ATOM 0 HG3 GLU A 54 -8.195 4.200 -8.190 1.00 65.14 H new ATOM 799 N ALA A 55 -10.558 1.156 -11.112 1.00 24.03 N ATOM 800 CA ALA A 55 -11.503 1.341 -12.210 1.00 41.31 C ATOM 801 C ALA A 55 -12.764 0.500 -12.004 1.00 52.44 C ATOM 802 O ALA A 55 -13.917 0.995 -12.114 1.00 32.20 O ATOM 803 CB ALA A 55 -10.849 1.022 -13.553 1.00 42.03 C ATOM 0 H ALA A 55 -9.631 0.841 -11.398 1.00 24.03 H new ATOM 0 HA ALA A 55 -11.800 2.390 -12.219 1.00 41.31 H new ATOM 0 HB1 ALA A 55 -11.574 1.168 -14.354 1.00 42.03 H new ATOM 0 HB2 ALA A 55 -9.997 1.684 -13.709 1.00 42.03 H new ATOM 0 HB3 ALA A 55 -10.509 -0.014 -13.555 1.00 42.03 H new ATOM 809 N HIS A 56 -12.541 -0.739 -11.599 1.00 12.30 N ATOM 810 CA HIS A 56 -13.623 -1.696 -11.432 1.00 41.33 C ATOM 811 C HIS A 56 -14.568 -1.243 -10.311 1.00 10.32 C ATOM 812 O HIS A 56 -15.777 -1.386 -10.409 1.00 74.44 O ATOM 813 CB HIS A 56 -13.068 -3.109 -11.160 1.00 40.04 C ATOM 814 CG HIS A 56 -14.115 -4.191 -11.120 1.00 11.42 C ATOM 815 ND1 HIS A 56 -14.419 -4.974 -12.203 1.00 61.42 N ATOM 816 CD2 HIS A 56 -14.914 -4.621 -10.119 1.00 63.11 C ATOM 817 CE1 HIS A 56 -15.356 -5.828 -11.882 1.00 25.03 C ATOM 818 NE2 HIS A 56 -15.680 -5.640 -10.619 1.00 5.13 N ATOM 0 H HIS A 56 -11.616 -1.107 -11.379 1.00 12.30 H new ATOM 0 HA HIS A 56 -14.194 -1.739 -12.359 1.00 41.33 H new ATOM 0 HB2 HIS A 56 -12.338 -3.354 -11.932 1.00 40.04 H new ATOM 0 HB3 HIS A 56 -12.535 -3.100 -10.209 1.00 40.04 H new ATOM 0 HD2 HIS A 56 -14.943 -4.233 -9.111 1.00 63.11 H new ATOM 0 HE1 HIS A 56 -15.791 -6.564 -12.542 1.00 25.03 H new ATOM 0 HE2 HIS A 56 -16.384 -6.166 -10.100 1.00 5.13 H new ATOM 827 N PHE A 57 -13.997 -0.695 -9.265 1.00 20.21 N ATOM 828 CA PHE A 57 -14.756 -0.187 -8.143 1.00 12.42 C ATOM 829 C PHE A 57 -15.301 1.205 -8.365 1.00 34.21 C ATOM 830 O PHE A 57 -16.267 1.616 -7.726 1.00 43.05 O ATOM 831 CB PHE A 57 -14.025 -0.329 -6.829 1.00 31.33 C ATOM 832 CG PHE A 57 -14.127 -1.708 -6.287 1.00 54.50 C ATOM 833 CD1 PHE A 57 -15.230 -2.051 -5.558 1.00 43.30 C ATOM 834 CD2 PHE A 57 -13.150 -2.657 -6.507 1.00 31.13 C ATOM 835 CE1 PHE A 57 -15.379 -3.307 -5.042 1.00 45.40 C ATOM 836 CE2 PHE A 57 -13.293 -3.930 -5.987 1.00 52.14 C ATOM 837 CZ PHE A 57 -14.412 -4.247 -5.256 1.00 64.23 C ATOM 0 H PHE A 57 -12.988 -0.588 -9.166 1.00 20.21 H new ATOM 0 HA PHE A 57 -15.633 -0.831 -8.072 1.00 12.42 H new ATOM 0 HB2 PHE A 57 -12.975 -0.070 -6.967 1.00 31.33 H new ATOM 0 HB3 PHE A 57 -14.435 0.377 -6.107 1.00 31.33 H new ATOM 0 HD1 PHE A 57 -16.000 -1.314 -5.386 1.00 43.30 H new ATOM 0 HD2 PHE A 57 -12.273 -2.405 -7.085 1.00 31.13 H new ATOM 0 HE1 PHE A 57 -16.259 -3.556 -4.467 1.00 45.40 H new ATOM 0 HE2 PHE A 57 -12.527 -4.673 -6.155 1.00 52.14 H new ATOM 0 HZ PHE A 57 -14.527 -5.241 -4.850 1.00 64.23 H new ATOM 847 N SER A 58 -14.689 1.919 -9.276 1.00 24.40 N ATOM 848 CA SER A 58 -15.036 3.291 -9.551 1.00 1.13 C ATOM 849 C SER A 58 -16.386 3.351 -10.236 1.00 14.22 C ATOM 850 O SER A 58 -17.071 4.375 -10.197 1.00 74.41 O ATOM 851 CB SER A 58 -13.957 3.987 -10.388 1.00 42.13 C ATOM 852 OG SER A 58 -14.251 5.378 -10.572 1.00 12.32 O ATOM 0 H SER A 58 -13.928 1.561 -9.853 1.00 24.40 H new ATOM 0 HA SER A 58 -15.099 3.828 -8.604 1.00 1.13 H new ATOM 0 HB2 SER A 58 -12.989 3.880 -9.898 1.00 42.13 H new ATOM 0 HB3 SER A 58 -13.878 3.499 -11.359 1.00 42.13 H new ATOM 0 HG SER A 58 -13.544 5.794 -11.108 1.00 12.32 H new ATOM 858 N SER A 59 -16.769 2.275 -10.883 1.00 3.01 N ATOM 859 CA SER A 59 -18.096 2.184 -11.443 1.00 2.42 C ATOM 860 C SER A 59 -19.173 2.320 -10.316 1.00 42.14 C ATOM 861 O SER A 59 -20.280 2.795 -10.552 1.00 34.32 O ATOM 862 CB SER A 59 -18.233 0.845 -12.154 1.00 62.55 C ATOM 863 OG SER A 59 -17.172 0.673 -13.095 1.00 61.25 O ATOM 0 H SER A 59 -16.183 1.454 -11.034 1.00 3.01 H new ATOM 0 HA SER A 59 -18.253 2.994 -12.155 1.00 2.42 H new ATOM 0 HB2 SER A 59 -18.217 0.035 -11.425 1.00 62.55 H new ATOM 0 HB3 SER A 59 -19.194 0.794 -12.666 1.00 62.55 H new ATOM 0 HG SER A 59 -17.270 -0.192 -13.544 1.00 61.25 H new ATOM 869 N CYS A 60 -18.806 1.934 -9.088 1.00 2.41 N ATOM 870 CA CYS A 60 -19.714 1.968 -7.942 1.00 11.54 C ATOM 871 C CYS A 60 -19.614 3.296 -7.141 1.00 13.34 C ATOM 872 O CYS A 60 -20.237 3.443 -6.079 1.00 14.20 O ATOM 873 CB CYS A 60 -19.398 0.785 -7.031 1.00 73.02 C ATOM 874 SG CYS A 60 -19.498 -0.823 -7.858 1.00 3.24 S ATOM 0 H CYS A 60 -17.872 1.590 -8.864 1.00 2.41 H new ATOM 0 HA CYS A 60 -20.735 1.904 -8.318 1.00 11.54 H new ATOM 0 HB2 CYS A 60 -18.395 0.911 -6.622 1.00 73.02 H new ATOM 0 HB3 CYS A 60 -20.089 0.793 -6.188 1.00 73.02 H new ATOM 0 HG CYS A 60 -20.516 -1.486 -7.396 1.00 3.24 H new ATOM 880 N GLY A 61 -18.879 4.260 -7.659 1.00 61.13 N ATOM 881 CA GLY A 61 -18.727 5.511 -6.938 1.00 5.05 C ATOM 882 C GLY A 61 -17.342 6.092 -7.040 1.00 31.04 C ATOM 883 O GLY A 61 -16.516 5.621 -7.822 1.00 74.34 O ATOM 0 H GLY A 61 -18.389 4.207 -8.552 1.00 61.13 H new ATOM 0 HA2 GLY A 61 -19.446 6.234 -7.323 1.00 5.05 H new ATOM 0 HA3 GLY A 61 -18.969 5.349 -5.888 1.00 5.05 H new ATOM 887 N SER A 62 -17.078 7.103 -6.251 1.00 11.33 N ATOM 888 CA SER A 62 -15.809 7.762 -6.285 1.00 2.25 C ATOM 889 C SER A 62 -14.898 7.201 -5.204 1.00 71.14 C ATOM 890 O SER A 62 -15.266 7.112 -4.031 1.00 51.44 O ATOM 891 CB SER A 62 -15.997 9.269 -6.121 1.00 22.13 C ATOM 892 OG SER A 62 -16.906 9.764 -7.104 1.00 60.10 O ATOM 0 H SER A 62 -17.736 7.486 -5.573 1.00 11.33 H new ATOM 0 HA SER A 62 -15.337 7.582 -7.251 1.00 2.25 H new ATOM 0 HB2 SER A 62 -16.375 9.489 -5.123 1.00 22.13 H new ATOM 0 HB3 SER A 62 -15.036 9.775 -6.217 1.00 22.13 H new ATOM 0 HG SER A 62 -17.020 10.730 -6.987 1.00 60.10 H new ATOM 898 N ILE A 63 -13.757 6.792 -5.618 1.00 2.41 N ATOM 899 CA ILE A 63 -12.754 6.234 -4.766 1.00 55.41 C ATOM 900 C ILE A 63 -11.881 7.306 -4.111 1.00 24.41 C ATOM 901 O ILE A 63 -11.453 8.275 -4.747 1.00 62.50 O ATOM 902 CB ILE A 63 -11.931 5.186 -5.547 1.00 34.51 C ATOM 903 CG1 ILE A 63 -12.832 3.977 -5.846 1.00 75.31 C ATOM 904 CG2 ILE A 63 -10.648 4.789 -4.834 1.00 21.01 C ATOM 905 CD1 ILE A 63 -12.181 2.887 -6.637 1.00 3.02 C ATOM 0 H ILE A 63 -13.477 6.835 -6.598 1.00 2.41 H new ATOM 0 HA ILE A 63 -13.248 5.727 -3.938 1.00 55.41 H new ATOM 0 HB ILE A 63 -11.600 5.630 -6.486 1.00 34.51 H new ATOM 0 HG12 ILE A 63 -13.182 3.561 -4.901 1.00 75.31 H new ATOM 0 HG13 ILE A 63 -13.712 4.323 -6.388 1.00 75.31 H new ATOM 0 HG21 ILE A 63 -10.113 4.050 -5.431 1.00 21.01 H new ATOM 0 HG22 ILE A 63 -10.020 5.669 -4.698 1.00 21.01 H new ATOM 0 HG23 ILE A 63 -10.890 4.362 -3.861 1.00 21.01 H new ATOM 0 HD11 ILE A 63 -12.894 2.078 -6.798 1.00 3.02 H new ATOM 0 HD12 ILE A 63 -11.856 3.281 -7.600 1.00 3.02 H new ATOM 0 HD13 ILE A 63 -11.318 2.507 -6.091 1.00 3.02 H new ATOM 917 N ASN A 64 -11.672 7.132 -2.829 1.00 73.44 N ATOM 918 CA ASN A 64 -10.886 8.031 -2.002 1.00 13.41 C ATOM 919 C ASN A 64 -9.431 7.568 -2.030 1.00 42.30 C ATOM 920 O ASN A 64 -8.516 8.321 -2.399 1.00 20.34 O ATOM 921 CB ASN A 64 -11.438 7.953 -0.553 1.00 20.14 C ATOM 922 CG ASN A 64 -10.782 8.889 0.462 1.00 61.43 C ATOM 923 OD1 ASN A 64 -9.658 9.295 0.322 1.00 33.32 O ATOM 924 ND2 ASN A 64 -11.484 9.170 1.523 1.00 2.31 N ATOM 0 H ASN A 64 -12.053 6.340 -2.312 1.00 73.44 H new ATOM 0 HA ASN A 64 -10.945 9.057 -2.367 1.00 13.41 H new ATOM 0 HB2 ASN A 64 -12.506 8.168 -0.580 1.00 20.14 H new ATOM 0 HB3 ASN A 64 -11.328 6.928 -0.198 1.00 20.14 H new ATOM 0 HD21 ASN A 64 -11.083 9.748 2.262 1.00 2.31 H new ATOM 0 HD22 ASN A 64 -12.435 8.812 1.615 1.00 2.31 H new ATOM 931 N ARG A 65 -9.244 6.309 -1.693 1.00 12.43 N ATOM 932 CA ARG A 65 -7.929 5.693 -1.585 1.00 3.41 C ATOM 933 C ARG A 65 -8.123 4.222 -1.819 1.00 40.22 C ATOM 934 O ARG A 65 -9.248 3.741 -1.761 1.00 74.24 O ATOM 935 CB ARG A 65 -7.321 5.869 -0.150 1.00 64.12 C ATOM 936 CG ARG A 65 -7.372 7.283 0.420 1.00 62.21 C ATOM 937 CD ARG A 65 -6.727 7.394 1.796 1.00 11.23 C ATOM 938 NE ARG A 65 -5.250 7.367 1.761 1.00 64.53 N ATOM 939 CZ ARG A 65 -4.468 7.213 2.859 1.00 60.43 C ATOM 940 NH1 ARG A 65 -5.010 6.809 4.010 1.00 14.42 N ATOM 941 NH2 ARG A 65 -3.147 7.419 2.791 1.00 62.52 N ATOM 0 H ARG A 65 -10.011 5.671 -1.482 1.00 12.43 H new ATOM 0 HA ARG A 65 -7.254 6.158 -2.303 1.00 3.41 H new ATOM 0 HB2 ARG A 65 -7.848 5.202 0.532 1.00 64.12 H new ATOM 0 HB3 ARG A 65 -6.281 5.544 -0.173 1.00 64.12 H new ATOM 0 HG2 ARG A 65 -6.869 7.964 -0.267 1.00 62.21 H new ATOM 0 HG3 ARG A 65 -8.411 7.605 0.485 1.00 62.21 H new ATOM 0 HD2 ARG A 65 -7.054 8.321 2.268 1.00 11.23 H new ATOM 0 HD3 ARG A 65 -7.082 6.575 2.422 1.00 11.23 H new ATOM 0 HE ARG A 65 -4.790 7.470 0.856 1.00 64.53 H new ATOM 0 HH11 ARG A 65 -6.010 6.617 4.063 1.00 14.42 H new ATOM 0 HH12 ARG A 65 -4.424 6.693 4.837 1.00 14.42 H new ATOM 0 HH21 ARG A 65 -2.719 7.695 1.907 1.00 62.52 H new ATOM 0 HH22 ARG A 65 -2.569 7.300 3.623 1.00 62.52 H new ATOM 955 N ILE A 66 -7.073 3.515 -2.082 1.00 73.23 N ATOM 956 CA ILE A 66 -7.145 2.080 -2.155 1.00 71.43 C ATOM 957 C ILE A 66 -5.873 1.546 -1.588 1.00 11.40 C ATOM 958 O ILE A 66 -4.800 2.145 -1.781 1.00 55.13 O ATOM 959 CB ILE A 66 -7.408 1.427 -3.580 1.00 73.31 C ATOM 960 CG1 ILE A 66 -6.259 1.586 -4.544 1.00 1.15 C ATOM 961 CG2 ILE A 66 -8.671 1.942 -4.223 1.00 43.21 C ATOM 962 CD1 ILE A 66 -6.483 0.820 -5.843 1.00 3.22 C ATOM 0 H ILE A 66 -6.146 3.905 -2.252 1.00 73.23 H new ATOM 0 HA ILE A 66 -8.036 1.804 -1.592 1.00 71.43 H new ATOM 0 HB ILE A 66 -7.519 0.363 -3.370 1.00 73.31 H new ATOM 0 HG12 ILE A 66 -6.119 2.644 -4.768 1.00 1.15 H new ATOM 0 HG13 ILE A 66 -5.341 1.236 -4.072 1.00 1.15 H new ATOM 0 HG21 ILE A 66 -8.805 1.465 -5.194 1.00 43.21 H new ATOM 0 HG22 ILE A 66 -9.524 1.712 -3.585 1.00 43.21 H new ATOM 0 HG23 ILE A 66 -8.598 3.021 -4.356 1.00 43.21 H new ATOM 0 HD11 ILE A 66 -5.628 0.966 -6.504 1.00 3.22 H new ATOM 0 HD12 ILE A 66 -6.595 -0.242 -5.624 1.00 3.22 H new ATOM 0 HD13 ILE A 66 -7.386 1.187 -6.331 1.00 3.22 H new ATOM 974 N THR A 67 -5.974 0.480 -0.899 1.00 21.44 N ATOM 975 CA THR A 67 -4.855 -0.108 -0.259 1.00 63.14 C ATOM 976 C THR A 67 -4.755 -1.547 -0.724 1.00 45.22 C ATOM 977 O THR A 67 -5.714 -2.295 -0.612 1.00 24.52 O ATOM 978 CB THR A 67 -5.051 -0.068 1.274 1.00 41.45 C ATOM 979 OG1 THR A 67 -5.361 1.280 1.692 1.00 53.31 O ATOM 980 CG2 THR A 67 -3.787 -0.528 1.986 1.00 13.33 C ATOM 0 H THR A 67 -6.850 -0.023 -0.757 1.00 21.44 H new ATOM 0 HA THR A 67 -3.944 0.437 -0.509 1.00 63.14 H new ATOM 0 HB THR A 67 -5.872 -0.736 1.533 1.00 41.45 H new ATOM 0 HG1 THR A 67 -6.325 1.434 1.611 1.00 53.31 H new ATOM 0 HG21 THR A 67 -3.944 -0.493 3.064 1.00 13.33 H new ATOM 0 HG22 THR A 67 -3.552 -1.549 1.686 1.00 13.33 H new ATOM 0 HG23 THR A 67 -2.959 0.129 1.718 1.00 13.33 H new ATOM 988 N ILE A 68 -3.627 -1.942 -1.246 1.00 11.42 N ATOM 989 CA ILE A 68 -3.477 -3.291 -1.725 1.00 53.22 C ATOM 990 C ILE A 68 -2.303 -3.864 -0.994 1.00 4.45 C ATOM 991 O ILE A 68 -1.213 -3.342 -1.096 1.00 34.10 O ATOM 992 CB ILE A 68 -3.188 -3.404 -3.275 1.00 74.22 C ATOM 993 CG1 ILE A 68 -4.114 -2.507 -4.116 1.00 43.15 C ATOM 994 CG2 ILE A 68 -3.314 -4.849 -3.740 1.00 63.11 C ATOM 995 CD1 ILE A 68 -3.650 -1.073 -4.201 1.00 53.35 C ATOM 0 H ILE A 68 -2.801 -1.353 -1.351 1.00 11.42 H new ATOM 0 HA ILE A 68 -4.416 -3.817 -1.551 1.00 53.22 H new ATOM 0 HB ILE A 68 -2.166 -3.057 -3.427 1.00 74.22 H new ATOM 0 HG12 ILE A 68 -4.187 -2.917 -5.123 1.00 43.15 H new ATOM 0 HG13 ILE A 68 -5.116 -2.531 -3.689 1.00 43.15 H new ATOM 0 HG21 ILE A 68 -3.111 -4.906 -4.809 1.00 63.11 H new ATOM 0 HG22 ILE A 68 -2.597 -5.468 -3.201 1.00 63.11 H new ATOM 0 HG23 ILE A 68 -4.324 -5.208 -3.542 1.00 63.11 H new ATOM 0 HD11 ILE A 68 -4.350 -0.500 -4.809 1.00 53.35 H new ATOM 0 HD12 ILE A 68 -3.604 -0.645 -3.199 1.00 53.35 H new ATOM 0 HD13 ILE A 68 -2.660 -1.037 -4.656 1.00 53.35 H new ATOM 1007 N LEU A 69 -2.526 -4.862 -0.213 1.00 11.04 N ATOM 1008 CA LEU A 69 -1.445 -5.472 0.515 1.00 61.05 C ATOM 1009 C LEU A 69 -1.294 -6.935 0.197 1.00 44.41 C ATOM 1010 O LEU A 69 -2.263 -7.692 0.218 1.00 24.30 O ATOM 1011 CB LEU A 69 -1.401 -5.153 2.042 1.00 4.11 C ATOM 1012 CG LEU A 69 -2.651 -5.390 2.894 1.00 51.21 C ATOM 1013 CD1 LEU A 69 -2.293 -5.257 4.363 1.00 23.05 C ATOM 1014 CD2 LEU A 69 -3.719 -4.365 2.562 1.00 62.44 C ATOM 0 H LEU A 69 -3.443 -5.280 -0.055 1.00 11.04 H new ATOM 0 HA LEU A 69 -0.549 -4.977 0.139 1.00 61.05 H new ATOM 0 HB2 LEU A 69 -0.592 -5.741 2.476 1.00 4.11 H new ATOM 0 HB3 LEU A 69 -1.125 -4.104 2.150 1.00 4.11 H new ATOM 0 HG LEU A 69 -3.030 -6.390 2.684 1.00 51.21 H new ATOM 0 HD11 LEU A 69 -3.182 -5.425 4.971 1.00 23.05 H new ATOM 0 HD12 LEU A 69 -1.532 -5.994 4.620 1.00 23.05 H new ATOM 0 HD13 LEU A 69 -1.907 -4.256 4.554 1.00 23.05 H new ATOM 0 HD21 LEU A 69 -4.601 -4.547 3.176 1.00 62.44 H new ATOM 0 HD22 LEU A 69 -3.337 -3.364 2.763 1.00 62.44 H new ATOM 0 HD23 LEU A 69 -3.987 -4.447 1.509 1.00 62.44 H new ATOM 1026 N CYS A 70 -0.105 -7.322 -0.135 1.00 31.23 N ATOM 1027 CA CYS A 70 0.183 -8.683 -0.475 1.00 4.21 C ATOM 1028 C CYS A 70 1.175 -9.243 0.525 1.00 72.45 C ATOM 1029 O CYS A 70 2.178 -8.601 0.812 1.00 11.02 O ATOM 1030 CB CYS A 70 0.759 -8.745 -1.887 1.00 24.10 C ATOM 1031 SG CYS A 70 -0.334 -8.068 -3.156 1.00 70.13 S ATOM 0 H CYS A 70 0.702 -6.700 -0.179 1.00 31.23 H new ATOM 0 HA CYS A 70 -0.730 -9.277 -0.444 1.00 4.21 H new ATOM 0 HB2 CYS A 70 1.703 -8.201 -1.907 1.00 24.10 H new ATOM 0 HB3 CYS A 70 0.984 -9.783 -2.132 1.00 24.10 H new ATOM 0 HG CYS A 70 0.240 -8.162 -4.318 1.00 70.13 H new ATOM 1037 N ASP A 71 0.900 -10.398 1.076 1.00 25.23 N ATOM 1038 CA ASP A 71 1.832 -10.995 2.015 1.00 23.34 C ATOM 1039 C ASP A 71 2.320 -12.302 1.510 1.00 4.25 C ATOM 1040 O ASP A 71 1.611 -13.006 0.815 1.00 73.32 O ATOM 1041 CB ASP A 71 1.254 -11.169 3.429 1.00 43.24 C ATOM 1042 CG ASP A 71 0.124 -12.182 3.550 1.00 2.10 C ATOM 1043 OD1 ASP A 71 0.383 -13.385 3.568 1.00 33.52 O ATOM 1044 OD2 ASP A 71 -1.020 -11.767 3.695 1.00 23.45 O ATOM 0 H ASP A 71 0.055 -10.941 0.899 1.00 25.23 H new ATOM 0 HA ASP A 71 2.662 -10.293 2.096 1.00 23.34 H new ATOM 0 HB2 ASP A 71 2.060 -11.467 4.099 1.00 43.24 H new ATOM 0 HB3 ASP A 71 0.892 -10.202 3.777 1.00 43.24 H new ATOM 1049 N LYS A 72 3.538 -12.616 1.813 1.00 52.52 N ATOM 1050 CA LYS A 72 4.083 -13.872 1.421 1.00 13.24 C ATOM 1051 C LYS A 72 4.503 -14.638 2.678 1.00 22.03 C ATOM 1052 O LYS A 72 5.165 -15.671 2.602 1.00 74.41 O ATOM 1053 CB LYS A 72 5.285 -13.650 0.492 1.00 53.13 C ATOM 1054 CG LYS A 72 5.756 -14.905 -0.241 1.00 14.45 C ATOM 1055 CD LYS A 72 7.070 -14.678 -0.980 1.00 21.00 C ATOM 1056 CE LYS A 72 6.939 -13.603 -2.033 1.00 23.11 C ATOM 1057 NZ LYS A 72 8.210 -13.368 -2.747 1.00 40.31 N ATOM 0 H LYS A 72 4.176 -12.015 2.334 1.00 52.52 H new ATOM 0 HA LYS A 72 3.338 -14.453 0.878 1.00 13.24 H new ATOM 0 HB2 LYS A 72 5.024 -12.890 -0.245 1.00 53.13 H new ATOM 0 HB3 LYS A 72 6.114 -13.254 1.079 1.00 53.13 H new ATOM 0 HG2 LYS A 72 5.879 -15.718 0.475 1.00 14.45 H new ATOM 0 HG3 LYS A 72 4.991 -15.218 -0.951 1.00 14.45 H new ATOM 0 HD2 LYS A 72 7.845 -14.397 -0.267 1.00 21.00 H new ATOM 0 HD3 LYS A 72 7.390 -15.609 -1.448 1.00 21.00 H new ATOM 0 HE2 LYS A 72 6.169 -13.889 -2.749 1.00 23.11 H new ATOM 0 HE3 LYS A 72 6.610 -12.675 -1.565 1.00 23.11 H new ATOM 0 HZ1 LYS A 72 8.033 -12.779 -3.586 1.00 40.31 H new ATOM 0 HZ2 LYS A 72 8.877 -12.880 -2.116 1.00 40.31 H new ATOM 0 HZ3 LYS A 72 8.616 -14.279 -3.042 1.00 40.31 H new ATOM 1071 N PHE A 73 4.091 -14.137 3.859 1.00 62.12 N ATOM 1072 CA PHE A 73 4.444 -14.811 5.113 1.00 3.31 C ATOM 1073 C PHE A 73 3.767 -16.156 5.212 1.00 75.44 C ATOM 1074 O PHE A 73 4.188 -17.028 5.972 1.00 23.40 O ATOM 1075 CB PHE A 73 4.165 -13.961 6.379 1.00 0.34 C ATOM 1076 CG PHE A 73 2.724 -13.575 6.669 1.00 65.53 C ATOM 1077 CD1 PHE A 73 1.801 -14.518 7.102 1.00 15.32 C ATOM 1078 CD2 PHE A 73 2.309 -12.268 6.535 1.00 4.02 C ATOM 1079 CE1 PHE A 73 0.500 -14.161 7.385 1.00 1.32 C ATOM 1080 CE2 PHE A 73 1.006 -11.904 6.824 1.00 51.31 C ATOM 1081 CZ PHE A 73 0.102 -12.854 7.247 1.00 21.12 C ATOM 0 H PHE A 73 3.530 -13.292 3.966 1.00 62.12 H new ATOM 0 HA PHE A 73 5.524 -14.956 5.079 1.00 3.31 H new ATOM 0 HB2 PHE A 73 4.545 -14.509 7.241 1.00 0.34 H new ATOM 0 HB3 PHE A 73 4.749 -13.044 6.302 1.00 0.34 H new ATOM 0 HD1 PHE A 73 2.107 -15.547 7.219 1.00 15.32 H new ATOM 0 HD2 PHE A 73 3.010 -11.518 6.200 1.00 4.02 H new ATOM 0 HE1 PHE A 73 -0.206 -14.909 7.715 1.00 1.32 H new ATOM 0 HE2 PHE A 73 0.697 -10.875 6.718 1.00 51.31 H new ATOM 0 HZ PHE A 73 -0.916 -12.572 7.469 1.00 21.12 H new ATOM 1091 N SER A 74 2.724 -16.310 4.440 1.00 31.44 N ATOM 1092 CA SER A 74 1.981 -17.532 4.376 1.00 32.13 C ATOM 1093 C SER A 74 2.718 -18.556 3.472 1.00 2.34 C ATOM 1094 O SER A 74 2.266 -19.673 3.292 1.00 5.02 O ATOM 1095 CB SER A 74 0.560 -17.226 3.843 1.00 30.14 C ATOM 1096 OG SER A 74 -0.280 -18.376 3.849 1.00 55.01 O ATOM 0 H SER A 74 2.364 -15.576 3.830 1.00 31.44 H new ATOM 0 HA SER A 74 1.895 -17.973 5.369 1.00 32.13 H new ATOM 0 HB2 SER A 74 0.106 -16.445 4.453 1.00 30.14 H new ATOM 0 HB3 SER A 74 0.632 -16.837 2.827 1.00 30.14 H new ATOM 0 HG SER A 74 0.268 -19.182 3.750 1.00 55.01 H new ATOM 1102 N GLY A 75 3.852 -18.152 2.906 1.00 73.20 N ATOM 1103 CA GLY A 75 4.619 -19.018 2.030 1.00 61.03 C ATOM 1104 C GLY A 75 4.281 -18.735 0.606 1.00 33.54 C ATOM 1105 O GLY A 75 5.150 -18.489 -0.231 1.00 54.00 O ATOM 0 H GLY A 75 4.257 -17.226 3.042 1.00 73.20 H new ATOM 0 HA2 GLY A 75 5.685 -18.864 2.196 1.00 61.03 H new ATOM 0 HA3 GLY A 75 4.408 -20.062 2.262 1.00 61.03 H new ATOM 1109 N HIS A 76 3.017 -18.745 0.349 1.00 3.31 N ATOM 1110 CA HIS A 76 2.500 -18.397 -0.939 1.00 41.51 C ATOM 1111 C HIS A 76 2.111 -16.957 -0.870 1.00 75.43 C ATOM 1112 O HIS A 76 1.501 -16.541 0.119 1.00 51.25 O ATOM 1113 CB HIS A 76 1.311 -19.271 -1.370 1.00 61.30 C ATOM 1114 CG HIS A 76 1.660 -20.705 -1.622 1.00 35.33 C ATOM 1115 ND1 HIS A 76 0.964 -21.756 -1.086 1.00 43.30 N ATOM 1116 CD2 HIS A 76 2.612 -21.257 -2.408 1.00 21.54 C ATOM 1117 CE1 HIS A 76 1.464 -22.884 -1.521 1.00 75.52 C ATOM 1118 NE2 HIS A 76 2.467 -22.612 -2.328 1.00 73.32 N ATOM 0 H HIS A 76 2.303 -18.997 1.032 1.00 3.31 H new ATOM 0 HA HIS A 76 3.265 -18.571 -1.696 1.00 41.51 H new ATOM 0 HB2 HIS A 76 0.543 -19.226 -0.597 1.00 61.30 H new ATOM 0 HB3 HIS A 76 0.876 -18.850 -2.276 1.00 61.30 H new ATOM 0 HD2 HIS A 76 3.350 -20.725 -2.990 1.00 21.54 H new ATOM 0 HE1 HIS A 76 1.113 -23.872 -1.261 1.00 75.52 H new ATOM 0 HE2 HIS A 76 3.042 -23.300 -2.814 1.00 73.32 H new ATOM 1127 N PRO A 77 2.483 -16.151 -1.859 1.00 44.30 N ATOM 1128 CA PRO A 77 2.151 -14.750 -1.841 1.00 41.42 C ATOM 1129 C PRO A 77 0.654 -14.538 -2.078 1.00 44.42 C ATOM 1130 O PRO A 77 0.088 -14.926 -3.116 1.00 22.31 O ATOM 1131 CB PRO A 77 3.019 -14.168 -2.953 1.00 30.20 C ATOM 1132 CG PRO A 77 3.218 -15.293 -3.904 1.00 31.55 C ATOM 1133 CD PRO A 77 3.240 -16.540 -3.065 1.00 33.20 C ATOM 0 HA PRO A 77 2.342 -14.266 -0.883 1.00 41.42 H new ATOM 0 HB2 PRO A 77 2.529 -13.323 -3.436 1.00 30.20 H new ATOM 0 HB3 PRO A 77 3.970 -13.805 -2.564 1.00 30.20 H new ATOM 0 HG2 PRO A 77 2.414 -15.330 -4.639 1.00 31.55 H new ATOM 0 HG3 PRO A 77 4.150 -15.177 -4.457 1.00 31.55 H new ATOM 0 HD2 PRO A 77 2.773 -17.380 -3.580 1.00 33.20 H new ATOM 0 HD3 PRO A 77 4.258 -16.843 -2.821 1.00 33.20 H new ATOM 1141 N LYS A 78 0.031 -13.956 -1.103 1.00 34.51 N ATOM 1142 CA LYS A 78 -1.399 -13.736 -1.063 1.00 32.04 C ATOM 1143 C LYS A 78 -1.700 -12.312 -1.430 1.00 62.24 C ATOM 1144 O LYS A 78 -0.841 -11.441 -1.303 1.00 51.22 O ATOM 1145 CB LYS A 78 -1.876 -13.961 0.380 1.00 70.02 C ATOM 1146 CG LYS A 78 -1.639 -15.363 0.949 1.00 55.44 C ATOM 1147 CD LYS A 78 -2.700 -16.374 0.582 1.00 73.22 C ATOM 1148 CE LYS A 78 -4.110 -16.004 1.081 1.00 74.40 C ATOM 1149 NZ LYS A 78 -4.262 -16.132 2.549 1.00 70.44 N ATOM 0 H LYS A 78 0.513 -13.604 -0.276 1.00 34.51 H new ATOM 0 HA LYS A 78 -1.896 -14.413 -1.758 1.00 32.04 H new ATOM 0 HB2 LYS A 78 -1.376 -13.238 1.025 1.00 70.02 H new ATOM 0 HB3 LYS A 78 -2.943 -13.746 0.428 1.00 70.02 H new ATOM 0 HG2 LYS A 78 -0.673 -15.725 0.598 1.00 55.44 H new ATOM 0 HG3 LYS A 78 -1.579 -15.296 2.035 1.00 55.44 H new ATOM 0 HD2 LYS A 78 -2.725 -16.483 -0.502 1.00 73.22 H new ATOM 0 HD3 LYS A 78 -2.422 -17.344 0.993 1.00 73.22 H new ATOM 0 HE2 LYS A 78 -4.335 -14.979 0.787 1.00 74.40 H new ATOM 0 HE3 LYS A 78 -4.842 -16.645 0.589 1.00 74.40 H new ATOM 0 HZ1 LYS A 78 -5.231 -15.870 2.822 1.00 70.44 H new ATOM 0 HZ2 LYS A 78 -4.077 -17.115 2.833 1.00 70.44 H new ATOM 0 HZ3 LYS A 78 -3.585 -15.501 3.024 1.00 70.44 H new ATOM 1163 N GLY A 79 -2.904 -12.074 -1.858 1.00 62.50 N ATOM 1164 CA GLY A 79 -3.300 -10.755 -2.196 1.00 40.24 C ATOM 1165 C GLY A 79 -4.670 -10.410 -1.672 1.00 33.33 C ATOM 1166 O GLY A 79 -5.592 -11.241 -1.683 1.00 15.21 O ATOM 0 H GLY A 79 -3.626 -12.784 -1.979 1.00 62.50 H new ATOM 0 HA2 GLY A 79 -2.573 -10.048 -1.796 1.00 40.24 H new ATOM 0 HA3 GLY A 79 -3.291 -10.643 -3.280 1.00 40.24 H new ATOM 1170 N TYR A 80 -4.779 -9.217 -1.182 1.00 43.42 N ATOM 1171 CA TYR A 80 -6.019 -8.647 -0.725 1.00 11.13 C ATOM 1172 C TYR A 80 -5.963 -7.149 -0.800 1.00 43.14 C ATOM 1173 O TYR A 80 -4.909 -6.537 -0.574 1.00 60.34 O ATOM 1174 CB TYR A 80 -6.487 -9.196 0.652 1.00 21.11 C ATOM 1175 CG TYR A 80 -5.413 -9.323 1.712 1.00 33.42 C ATOM 1176 CD1 TYR A 80 -5.095 -8.280 2.564 1.00 30.24 C ATOM 1177 CD2 TYR A 80 -4.723 -10.516 1.856 1.00 22.23 C ATOM 1178 CE1 TYR A 80 -4.111 -8.428 3.528 1.00 24.35 C ATOM 1179 CE2 TYR A 80 -3.750 -10.666 2.803 1.00 15.04 C ATOM 1180 CZ TYR A 80 -3.447 -9.628 3.638 1.00 70.35 C ATOM 1181 OH TYR A 80 -2.449 -9.786 4.575 1.00 2.14 O ATOM 0 H TYR A 80 -3.984 -8.586 -1.083 1.00 43.42 H new ATOM 0 HA TYR A 80 -6.805 -8.974 -1.406 1.00 11.13 H new ATOM 0 HB2 TYR A 80 -7.272 -8.543 1.034 1.00 21.11 H new ATOM 0 HB3 TYR A 80 -6.935 -10.177 0.497 1.00 21.11 H new ATOM 0 HD1 TYR A 80 -5.620 -7.340 2.477 1.00 30.24 H new ATOM 0 HD2 TYR A 80 -4.960 -11.345 1.206 1.00 22.23 H new ATOM 0 HE1 TYR A 80 -3.867 -7.608 4.188 1.00 24.35 H new ATOM 0 HE2 TYR A 80 -3.221 -11.604 2.891 1.00 15.04 H new ATOM 0 HH TYR A 80 -2.076 -10.690 4.506 1.00 2.14 H new ATOM 1191 N ALA A 81 -7.064 -6.556 -1.126 1.00 71.14 N ATOM 1192 CA ALA A 81 -7.113 -5.155 -1.376 1.00 35.52 C ATOM 1193 C ALA A 81 -8.272 -4.553 -0.644 1.00 65.12 C ATOM 1194 O ALA A 81 -9.250 -5.217 -0.388 1.00 72.11 O ATOM 1195 CB ALA A 81 -7.250 -4.916 -2.872 1.00 74.25 C ATOM 0 H ALA A 81 -7.960 -7.034 -1.227 1.00 71.14 H new ATOM 0 HA ALA A 81 -6.195 -4.685 -1.023 1.00 35.52 H new ATOM 0 HB1 ALA A 81 -7.288 -3.844 -3.067 1.00 74.25 H new ATOM 0 HB2 ALA A 81 -6.394 -5.349 -3.390 1.00 74.25 H new ATOM 0 HB3 ALA A 81 -8.166 -5.383 -3.233 1.00 74.25 H new ATOM 1201 N TYR A 82 -8.139 -3.335 -0.269 1.00 2.41 N ATOM 1202 CA TYR A 82 -9.177 -2.620 0.396 1.00 41.24 C ATOM 1203 C TYR A 82 -9.427 -1.350 -0.336 1.00 54.21 C ATOM 1204 O TYR A 82 -8.488 -0.639 -0.679 1.00 41.21 O ATOM 1205 CB TYR A 82 -8.782 -2.327 1.826 1.00 35.22 C ATOM 1206 CG TYR A 82 -8.523 -3.559 2.647 1.00 60.02 C ATOM 1207 CD1 TYR A 82 -7.269 -4.130 2.690 1.00 72.34 C ATOM 1208 CD2 TYR A 82 -9.527 -4.139 3.387 1.00 53.12 C ATOM 1209 CE1 TYR A 82 -7.022 -5.242 3.450 1.00 52.24 C ATOM 1210 CE2 TYR A 82 -9.288 -5.259 4.151 1.00 24.21 C ATOM 1211 CZ TYR A 82 -8.021 -5.804 4.172 1.00 32.32 C ATOM 1212 OH TYR A 82 -7.751 -6.900 4.931 1.00 13.55 O ATOM 0 H TYR A 82 -7.289 -2.790 -0.416 1.00 2.41 H new ATOM 0 HA TYR A 82 -10.085 -3.223 0.411 1.00 41.24 H new ATOM 0 HB2 TYR A 82 -7.886 -1.706 1.826 1.00 35.22 H new ATOM 0 HB3 TYR A 82 -9.573 -1.745 2.300 1.00 35.22 H new ATOM 0 HD1 TYR A 82 -6.467 -3.692 2.114 1.00 72.34 H new ATOM 0 HD2 TYR A 82 -10.518 -3.709 3.368 1.00 53.12 H new ATOM 0 HE1 TYR A 82 -6.031 -5.671 3.474 1.00 52.24 H new ATOM 0 HE2 TYR A 82 -10.084 -5.706 4.728 1.00 24.21 H new ATOM 0 HH TYR A 82 -8.567 -7.188 5.391 1.00 13.55 H new ATOM 1222 N ILE A 83 -10.656 -1.080 -0.617 1.00 14.01 N ATOM 1223 CA ILE A 83 -11.006 0.088 -1.362 1.00 63.23 C ATOM 1224 C ILE A 83 -11.692 1.098 -0.430 1.00 21.40 C ATOM 1225 O ILE A 83 -12.750 0.806 0.137 1.00 62.11 O ATOM 1226 CB ILE A 83 -11.990 -0.293 -2.514 1.00 31.43 C ATOM 1227 CG1 ILE A 83 -11.458 -1.484 -3.350 1.00 14.31 C ATOM 1228 CG2 ILE A 83 -12.258 0.892 -3.420 1.00 31.44 C ATOM 1229 CD1 ILE A 83 -10.126 -1.248 -4.039 1.00 33.30 C ATOM 0 H ILE A 83 -11.448 -1.660 -0.339 1.00 14.01 H new ATOM 0 HA ILE A 83 -10.103 0.527 -1.786 1.00 63.23 H new ATOM 0 HB ILE A 83 -12.926 -0.595 -2.044 1.00 31.43 H new ATOM 0 HG12 ILE A 83 -11.362 -2.351 -2.697 1.00 14.31 H new ATOM 0 HG13 ILE A 83 -12.201 -1.736 -4.107 1.00 14.31 H new ATOM 0 HG21 ILE A 83 -12.946 0.596 -4.212 1.00 31.44 H new ATOM 0 HG22 ILE A 83 -12.700 1.702 -2.839 1.00 31.44 H new ATOM 0 HG23 ILE A 83 -11.321 1.232 -3.861 1.00 31.44 H new ATOM 0 HD11 ILE A 83 -9.842 -2.140 -4.597 1.00 33.30 H new ATOM 0 HD12 ILE A 83 -10.215 -0.405 -4.724 1.00 33.30 H new ATOM 0 HD13 ILE A 83 -9.363 -1.030 -3.291 1.00 33.30 H new ATOM 1241 N GLU A 84 -11.083 2.246 -0.255 1.00 15.33 N ATOM 1242 CA GLU A 84 -11.662 3.315 0.533 1.00 23.53 C ATOM 1243 C GLU A 84 -12.439 4.245 -0.398 1.00 0.43 C ATOM 1244 O GLU A 84 -11.866 4.839 -1.316 1.00 40.50 O ATOM 1245 CB GLU A 84 -10.572 4.133 1.280 1.00 63.25 C ATOM 1246 CG GLU A 84 -9.858 3.444 2.468 1.00 60.15 C ATOM 1247 CD GLU A 84 -9.101 2.167 2.141 1.00 65.33 C ATOM 1248 OE1 GLU A 84 -7.972 2.237 1.661 1.00 60.13 O ATOM 1249 OE2 GLU A 84 -9.625 1.086 2.419 1.00 11.41 O ATOM 0 H GLU A 84 -10.171 2.469 -0.654 1.00 15.33 H new ATOM 0 HA GLU A 84 -12.321 2.874 1.281 1.00 23.53 H new ATOM 0 HB2 GLU A 84 -9.813 4.426 0.554 1.00 63.25 H new ATOM 0 HB3 GLU A 84 -11.032 5.050 1.648 1.00 63.25 H new ATOM 0 HG2 GLU A 84 -9.158 4.155 2.907 1.00 60.15 H new ATOM 0 HG3 GLU A 84 -10.602 3.216 3.231 1.00 60.15 H new ATOM 1256 N PHE A 85 -13.719 4.381 -0.183 1.00 52.41 N ATOM 1257 CA PHE A 85 -14.526 5.225 -1.039 1.00 10.23 C ATOM 1258 C PHE A 85 -14.715 6.607 -0.481 1.00 40.34 C ATOM 1259 O PHE A 85 -14.480 6.858 0.689 1.00 71.21 O ATOM 1260 CB PHE A 85 -15.883 4.614 -1.309 1.00 4.50 C ATOM 1261 CG PHE A 85 -15.845 3.355 -2.092 1.00 25.12 C ATOM 1262 CD1 PHE A 85 -15.716 3.395 -3.466 1.00 44.11 C ATOM 1263 CD2 PHE A 85 -15.954 2.132 -1.467 1.00 31.30 C ATOM 1264 CE1 PHE A 85 -15.697 2.240 -4.202 1.00 23.02 C ATOM 1265 CE2 PHE A 85 -15.933 0.973 -2.198 1.00 71.13 C ATOM 1266 CZ PHE A 85 -15.806 1.026 -3.566 1.00 61.30 C ATOM 0 H PHE A 85 -14.229 3.923 0.572 1.00 52.41 H new ATOM 0 HA PHE A 85 -13.971 5.305 -1.974 1.00 10.23 H new ATOM 0 HB2 PHE A 85 -16.376 4.420 -0.357 1.00 4.50 H new ATOM 0 HB3 PHE A 85 -16.495 5.341 -1.843 1.00 4.50 H new ATOM 0 HD1 PHE A 85 -15.629 4.348 -3.966 1.00 44.11 H new ATOM 0 HD2 PHE A 85 -16.057 2.086 -0.393 1.00 31.30 H new ATOM 0 HE1 PHE A 85 -15.597 2.283 -5.277 1.00 23.02 H new ATOM 0 HE2 PHE A 85 -16.016 0.018 -1.700 1.00 71.13 H new ATOM 0 HZ PHE A 85 -15.792 0.112 -4.142 1.00 61.30 H new ATOM 1276 N ALA A 86 -15.105 7.513 -1.348 1.00 41.44 N ATOM 1277 CA ALA A 86 -15.437 8.859 -0.960 1.00 21.01 C ATOM 1278 C ALA A 86 -16.787 8.920 -0.271 1.00 74.32 C ATOM 1279 O ALA A 86 -17.117 9.907 0.345 1.00 42.34 O ATOM 1280 CB ALA A 86 -15.422 9.779 -2.165 1.00 52.35 C ATOM 0 H ALA A 86 -15.200 7.333 -2.347 1.00 41.44 H new ATOM 0 HA ALA A 86 -14.681 9.194 -0.250 1.00 21.01 H new ATOM 0 HB1 ALA A 86 -15.675 10.792 -1.852 1.00 52.35 H new ATOM 0 HB2 ALA A 86 -14.428 9.775 -2.613 1.00 52.35 H new ATOM 0 HB3 ALA A 86 -16.152 9.432 -2.897 1.00 52.35 H new ATOM 1286 N GLU A 87 -17.586 7.879 -0.394 1.00 31.13 N ATOM 1287 CA GLU A 87 -18.860 7.899 0.298 1.00 13.45 C ATOM 1288 C GLU A 87 -19.306 6.514 0.693 1.00 53.30 C ATOM 1289 O GLU A 87 -18.841 5.509 0.145 1.00 73.14 O ATOM 1290 CB GLU A 87 -19.944 8.522 -0.592 1.00 22.00 C ATOM 1291 CG GLU A 87 -20.838 9.555 0.088 1.00 44.04 C ATOM 1292 CD GLU A 87 -21.692 8.947 1.153 1.00 31.42 C ATOM 1293 OE1 GLU A 87 -22.711 8.339 0.812 1.00 34.44 O ATOM 1294 OE2 GLU A 87 -21.325 9.019 2.338 1.00 24.21 O ATOM 0 H GLU A 87 -17.389 7.041 -0.942 1.00 31.13 H new ATOM 0 HA GLU A 87 -18.720 8.496 1.199 1.00 13.45 H new ATOM 0 HB2 GLU A 87 -19.461 8.993 -1.448 1.00 22.00 H new ATOM 0 HB3 GLU A 87 -20.574 7.722 -0.982 1.00 22.00 H new ATOM 0 HG2 GLU A 87 -20.218 10.338 0.524 1.00 44.04 H new ATOM 0 HG3 GLU A 87 -21.474 10.030 -0.659 1.00 44.04 H new ATOM 1301 N ARG A 88 -20.226 6.488 1.637 1.00 74.53 N ATOM 1302 CA ARG A 88 -20.886 5.296 2.053 1.00 14.22 C ATOM 1303 C ARG A 88 -21.714 4.716 0.924 1.00 65.01 C ATOM 1304 O ARG A 88 -21.817 3.503 0.794 1.00 32.03 O ATOM 1305 CB ARG A 88 -21.799 5.547 3.255 1.00 1.41 C ATOM 1306 CG ARG A 88 -21.139 5.427 4.609 1.00 55.34 C ATOM 1307 CD ARG A 88 -20.567 4.025 4.786 1.00 11.23 C ATOM 1308 NE ARG A 88 -21.534 2.977 4.397 1.00 42.42 N ATOM 1309 CZ ARG A 88 -21.424 1.673 4.662 1.00 42.45 C ATOM 1310 NH1 ARG A 88 -20.411 1.210 5.370 1.00 61.04 N ATOM 1311 NH2 ARG A 88 -22.316 0.838 4.170 1.00 10.14 N ATOM 0 H ARG A 88 -20.533 7.321 2.139 1.00 74.53 H new ATOM 0 HA ARG A 88 -20.108 4.589 2.341 1.00 14.22 H new ATOM 0 HB2 ARG A 88 -22.223 6.547 3.164 1.00 1.41 H new ATOM 0 HB3 ARG A 88 -22.630 4.843 3.211 1.00 1.41 H new ATOM 0 HG2 ARG A 88 -20.345 6.168 4.703 1.00 55.34 H new ATOM 0 HG3 ARG A 88 -21.864 5.635 5.396 1.00 55.34 H new ATOM 0 HD2 ARG A 88 -19.663 3.924 4.186 1.00 11.23 H new ATOM 0 HD3 ARG A 88 -20.276 3.881 5.827 1.00 11.23 H new ATOM 0 HE ARG A 88 -22.360 3.277 3.879 1.00 42.42 H new ATOM 0 HH11 ARG A 88 -19.700 1.851 5.722 1.00 61.04 H new ATOM 0 HH12 ARG A 88 -20.339 0.211 5.565 1.00 61.04 H new ATOM 0 HH21 ARG A 88 -23.080 1.190 3.593 1.00 10.14 H new ATOM 0 HH22 ARG A 88 -22.242 -0.160 4.366 1.00 10.14 H new ATOM 1325 N ASN A 89 -22.298 5.585 0.099 1.00 54.13 N ATOM 1326 CA ASN A 89 -23.109 5.106 -1.014 1.00 72.11 C ATOM 1327 C ASN A 89 -22.285 4.274 -1.966 1.00 55.00 C ATOM 1328 O ASN A 89 -22.784 3.327 -2.558 1.00 20.12 O ATOM 1329 CB ASN A 89 -23.832 6.219 -1.811 1.00 43.23 C ATOM 1330 CG ASN A 89 -22.940 7.155 -2.594 1.00 4.44 C ATOM 1331 OD1 ASN A 89 -22.545 6.870 -3.704 1.00 41.02 O ATOM 1332 ND2 ASN A 89 -22.681 8.261 -2.081 1.00 55.21 N ATOM 0 H ASN A 89 -22.227 6.599 0.178 1.00 54.13 H new ATOM 0 HA ASN A 89 -23.885 4.500 -0.547 1.00 72.11 H new ATOM 0 HB2 ASN A 89 -24.530 5.748 -2.504 1.00 43.23 H new ATOM 0 HB3 ASN A 89 -24.425 6.811 -1.114 1.00 43.23 H new ATOM 0 HD21 ASN A 89 -22.127 8.945 -2.597 1.00 55.21 H new ATOM 0 HD22 ASN A 89 -23.023 8.482 -1.146 1.00 55.21 H new ATOM 1339 N SER A 90 -21.014 4.615 -2.120 1.00 24.53 N ATOM 1340 CA SER A 90 -20.160 3.909 -3.008 1.00 63.54 C ATOM 1341 C SER A 90 -19.858 2.498 -2.484 1.00 52.40 C ATOM 1342 O SER A 90 -19.848 1.541 -3.250 1.00 1.52 O ATOM 1343 CB SER A 90 -18.903 4.716 -3.166 1.00 21.42 C ATOM 1344 OG SER A 90 -19.236 6.060 -3.504 1.00 73.15 O ATOM 0 H SER A 90 -20.566 5.388 -1.627 1.00 24.53 H new ATOM 0 HA SER A 90 -20.645 3.780 -3.975 1.00 63.54 H new ATOM 0 HB2 SER A 90 -18.327 4.695 -2.241 1.00 21.42 H new ATOM 0 HB3 SER A 90 -18.274 4.280 -3.943 1.00 21.42 H new ATOM 0 HG SER A 90 -18.415 6.585 -3.605 1.00 73.15 H new ATOM 1350 N VAL A 91 -19.641 2.375 -1.172 1.00 23.23 N ATOM 1351 CA VAL A 91 -19.420 1.066 -0.578 1.00 41.13 C ATOM 1352 C VAL A 91 -20.655 0.183 -0.672 1.00 23.03 C ATOM 1353 O VAL A 91 -20.550 -0.962 -1.108 1.00 32.22 O ATOM 1354 CB VAL A 91 -18.761 1.081 0.865 1.00 52.11 C ATOM 1355 CG1 VAL A 91 -19.135 2.297 1.637 1.00 11.23 C ATOM 1356 CG2 VAL A 91 -19.144 -0.150 1.678 1.00 51.42 C ATOM 0 H VAL A 91 -19.615 3.155 -0.515 1.00 23.23 H new ATOM 0 HA VAL A 91 -18.650 0.604 -1.195 1.00 41.13 H new ATOM 0 HB VAL A 91 -17.684 1.081 0.698 1.00 52.11 H new ATOM 0 HG11 VAL A 91 -18.661 2.265 2.618 1.00 11.23 H new ATOM 0 HG12 VAL A 91 -18.800 3.185 1.101 1.00 11.23 H new ATOM 0 HG13 VAL A 91 -20.218 2.333 1.758 1.00 11.23 H new ATOM 0 HG21 VAL A 91 -18.672 -0.100 2.659 1.00 51.42 H new ATOM 0 HG22 VAL A 91 -20.227 -0.184 1.798 1.00 51.42 H new ATOM 0 HG23 VAL A 91 -18.808 -1.048 1.159 1.00 51.42 H new ATOM 1366 N ASP A 92 -21.827 0.718 -0.315 1.00 63.31 N ATOM 1367 CA ASP A 92 -23.089 -0.038 -0.454 1.00 13.14 C ATOM 1368 C ASP A 92 -23.331 -0.472 -1.895 1.00 53.22 C ATOM 1369 O ASP A 92 -23.919 -1.525 -2.155 1.00 35.23 O ATOM 1370 CB ASP A 92 -24.297 0.756 0.067 1.00 55.02 C ATOM 1371 CG ASP A 92 -24.385 0.836 1.582 1.00 54.13 C ATOM 1372 OD1 ASP A 92 -23.835 1.778 2.196 1.00 2.44 O ATOM 1373 OD2 ASP A 92 -25.044 -0.036 2.186 1.00 43.42 O ATOM 0 H ASP A 92 -21.935 1.657 0.068 1.00 63.31 H new ATOM 0 HA ASP A 92 -22.980 -0.931 0.161 1.00 13.14 H new ATOM 0 HB2 ASP A 92 -24.254 1.767 -0.337 1.00 55.02 H new ATOM 0 HB3 ASP A 92 -25.210 0.299 -0.315 1.00 55.02 H new ATOM 1378 N ALA A 93 -22.884 0.333 -2.827 1.00 4.24 N ATOM 1379 CA ALA A 93 -23.008 0.006 -4.227 1.00 52.34 C ATOM 1380 C ALA A 93 -22.015 -1.092 -4.650 1.00 41.13 C ATOM 1381 O ALA A 93 -22.334 -1.963 -5.459 1.00 5.01 O ATOM 1382 CB ALA A 93 -22.853 1.247 -5.089 1.00 32.14 C ATOM 0 H ALA A 93 -22.428 1.226 -2.640 1.00 4.24 H new ATOM 0 HA ALA A 93 -24.011 -0.392 -4.381 1.00 52.34 H new ATOM 0 HB1 ALA A 93 -22.950 0.975 -6.140 1.00 32.14 H new ATOM 0 HB2 ALA A 93 -23.626 1.970 -4.828 1.00 32.14 H new ATOM 0 HB3 ALA A 93 -21.871 1.688 -4.918 1.00 32.14 H new ATOM 1388 N ALA A 94 -20.823 -1.045 -4.068 1.00 15.34 N ATOM 1389 CA ALA A 94 -19.736 -1.967 -4.403 1.00 41.24 C ATOM 1390 C ALA A 94 -19.957 -3.352 -3.801 1.00 22.04 C ATOM 1391 O ALA A 94 -19.734 -4.364 -4.461 1.00 71.33 O ATOM 1392 CB ALA A 94 -18.412 -1.400 -3.938 1.00 23.13 C ATOM 0 H ALA A 94 -20.579 -0.366 -3.348 1.00 15.34 H new ATOM 0 HA ALA A 94 -19.722 -2.080 -5.487 1.00 41.24 H new ATOM 0 HB1 ALA A 94 -17.610 -2.093 -4.192 1.00 23.13 H new ATOM 0 HB2 ALA A 94 -18.233 -0.443 -4.429 1.00 23.13 H new ATOM 0 HB3 ALA A 94 -18.438 -1.255 -2.858 1.00 23.13 H new ATOM 1398 N VAL A 95 -20.378 -3.379 -2.534 1.00 42.32 N ATOM 1399 CA VAL A 95 -20.672 -4.632 -1.795 1.00 72.42 C ATOM 1400 C VAL A 95 -21.613 -5.576 -2.562 1.00 35.31 C ATOM 1401 O VAL A 95 -21.609 -6.770 -2.328 1.00 74.23 O ATOM 1402 CB VAL A 95 -21.217 -4.383 -0.362 1.00 32.33 C ATOM 1403 CG1 VAL A 95 -20.213 -3.630 0.485 1.00 23.32 C ATOM 1404 CG2 VAL A 95 -22.551 -3.675 -0.376 1.00 62.23 C ATOM 0 H VAL A 95 -20.528 -2.535 -1.981 1.00 42.32 H new ATOM 0 HA VAL A 95 -19.705 -5.126 -1.701 1.00 72.42 H new ATOM 0 HB VAL A 95 -21.376 -5.362 0.090 1.00 32.33 H new ATOM 0 HG11 VAL A 95 -20.624 -3.471 1.482 1.00 23.32 H new ATOM 0 HG12 VAL A 95 -19.293 -4.210 0.560 1.00 23.32 H new ATOM 0 HG13 VAL A 95 -19.998 -2.666 0.024 1.00 23.32 H new ATOM 0 HG21 VAL A 95 -22.893 -3.522 0.648 1.00 62.23 H new ATOM 0 HG22 VAL A 95 -22.445 -2.710 -0.871 1.00 62.23 H new ATOM 0 HG23 VAL A 95 -23.279 -4.281 -0.915 1.00 62.23 H new ATOM 1414 N ALA A 96 -22.391 -5.024 -3.498 1.00 20.32 N ATOM 1415 CA ALA A 96 -23.316 -5.812 -4.319 1.00 63.41 C ATOM 1416 C ALA A 96 -22.558 -6.777 -5.254 1.00 43.53 C ATOM 1417 O ALA A 96 -23.158 -7.656 -5.880 1.00 63.41 O ATOM 1418 CB ALA A 96 -24.217 -4.893 -5.127 1.00 2.24 C ATOM 0 H ALA A 96 -22.398 -4.026 -3.707 1.00 20.32 H new ATOM 0 HA ALA A 96 -23.931 -6.412 -3.648 1.00 63.41 H new ATOM 0 HB1 ALA A 96 -24.898 -5.491 -5.732 1.00 2.24 H new ATOM 0 HB2 ALA A 96 -24.792 -4.261 -4.451 1.00 2.24 H new ATOM 0 HB3 ALA A 96 -23.608 -4.267 -5.779 1.00 2.24 H new ATOM 1424 N MET A 97 -21.254 -6.592 -5.353 1.00 71.21 N ATOM 1425 CA MET A 97 -20.417 -7.454 -6.166 1.00 52.14 C ATOM 1426 C MET A 97 -19.710 -8.497 -5.305 1.00 72.41 C ATOM 1427 O MET A 97 -18.843 -9.193 -5.797 1.00 42.34 O ATOM 1428 CB MET A 97 -19.349 -6.660 -6.947 1.00 14.24 C ATOM 1429 CG MET A 97 -19.877 -5.652 -7.953 1.00 13.34 C ATOM 1430 SD MET A 97 -18.544 -4.889 -8.931 1.00 60.20 S ATOM 1431 CE MET A 97 -17.549 -4.122 -7.646 1.00 44.21 C ATOM 0 H MET A 97 -20.749 -5.845 -4.876 1.00 71.21 H new ATOM 0 HA MET A 97 -21.082 -7.943 -6.877 1.00 52.14 H new ATOM 0 HB2 MET A 97 -18.719 -6.133 -6.230 1.00 14.24 H new ATOM 0 HB3 MET A 97 -18.709 -7.369 -7.473 1.00 14.24 H new ATOM 0 HG2 MET A 97 -20.580 -6.146 -8.624 1.00 13.34 H new ATOM 0 HG3 MET A 97 -20.431 -4.874 -7.428 1.00 13.34 H new ATOM 0 HE1 MET A 97 -17.176 -3.161 -8.000 1.00 44.21 H new ATOM 0 HE2 MET A 97 -18.159 -3.969 -6.756 1.00 44.21 H new ATOM 0 HE3 MET A 97 -16.708 -4.770 -7.402 1.00 44.21 H new ATOM 1441 N ASP A 98 -20.064 -8.575 -4.001 1.00 14.42 N ATOM 1442 CA ASP A 98 -19.425 -9.524 -3.051 1.00 65.10 C ATOM 1443 C ASP A 98 -19.205 -10.913 -3.599 1.00 71.35 C ATOM 1444 O ASP A 98 -18.184 -11.515 -3.308 1.00 23.43 O ATOM 1445 CB ASP A 98 -20.099 -9.580 -1.682 1.00 41.30 C ATOM 1446 CG ASP A 98 -21.430 -10.286 -1.643 1.00 51.12 C ATOM 1447 OD1 ASP A 98 -22.457 -9.662 -1.922 1.00 42.25 O ATOM 1448 OD2 ASP A 98 -21.460 -11.484 -1.275 1.00 71.31 O ATOM 0 H ASP A 98 -20.788 -7.993 -3.580 1.00 14.42 H new ATOM 0 HA ASP A 98 -18.436 -9.089 -2.907 1.00 65.10 H new ATOM 0 HB2 ASP A 98 -19.424 -10.075 -0.984 1.00 41.30 H new ATOM 0 HB3 ASP A 98 -20.237 -8.560 -1.322 1.00 41.30 H new ATOM 1453 N GLU A 99 -20.148 -11.454 -4.323 1.00 34.00 N ATOM 1454 CA GLU A 99 -19.915 -12.678 -5.016 1.00 31.23 C ATOM 1455 C GLU A 99 -19.909 -12.398 -6.527 1.00 73.33 C ATOM 1456 O GLU A 99 -20.970 -12.243 -7.153 1.00 63.04 O ATOM 1457 CB GLU A 99 -20.995 -13.686 -4.638 1.00 5.24 C ATOM 1458 CG GLU A 99 -20.852 -15.056 -5.252 1.00 45.14 C ATOM 1459 CD GLU A 99 -21.985 -15.946 -4.846 1.00 52.05 C ATOM 1460 OE1 GLU A 99 -23.032 -15.910 -5.508 1.00 1.24 O ATOM 1461 OE2 GLU A 99 -21.862 -16.675 -3.841 1.00 3.11 O ATOM 0 H GLU A 99 -21.082 -11.062 -4.444 1.00 34.00 H new ATOM 0 HA GLU A 99 -18.949 -13.101 -4.739 1.00 31.23 H new ATOM 0 HB2 GLU A 99 -21.003 -13.793 -3.553 1.00 5.24 H new ATOM 0 HB3 GLU A 99 -21.964 -13.278 -4.926 1.00 5.24 H new ATOM 0 HG2 GLU A 99 -20.823 -14.971 -6.338 1.00 45.14 H new ATOM 0 HG3 GLU A 99 -19.906 -15.501 -4.942 1.00 45.14 H new ATOM 1468 N THR A 100 -18.726 -12.304 -7.088 1.00 22.11 N ATOM 1469 CA THR A 100 -18.581 -11.997 -8.497 1.00 64.02 C ATOM 1470 C THR A 100 -17.300 -12.623 -9.022 1.00 44.23 C ATOM 1471 O THR A 100 -16.442 -13.034 -8.244 1.00 4.51 O ATOM 1472 CB THR A 100 -18.568 -10.446 -8.764 1.00 74.42 C ATOM 1473 OG1 THR A 100 -18.705 -10.186 -10.171 1.00 42.22 O ATOM 1474 CG2 THR A 100 -17.260 -9.812 -8.294 1.00 34.13 C ATOM 0 H THR A 100 -17.845 -12.436 -6.590 1.00 22.11 H new ATOM 0 HA THR A 100 -19.442 -12.412 -9.021 1.00 64.02 H new ATOM 0 HB THR A 100 -19.401 -10.015 -8.209 1.00 74.42 H new ATOM 0 HG1 THR A 100 -18.698 -9.219 -10.327 1.00 42.22 H new ATOM 0 HG21 THR A 100 -17.283 -8.741 -8.493 1.00 34.13 H new ATOM 0 HG22 THR A 100 -17.138 -9.980 -7.224 1.00 34.13 H new ATOM 0 HG23 THR A 100 -16.424 -10.262 -8.830 1.00 34.13 H new ATOM 1482 N VAL A 101 -17.160 -12.676 -10.316 1.00 1.42 N ATOM 1483 CA VAL A 101 -15.996 -13.242 -10.919 1.00 22.00 C ATOM 1484 C VAL A 101 -15.137 -12.130 -11.522 1.00 0.43 C ATOM 1485 O VAL A 101 -15.570 -11.375 -12.393 1.00 61.12 O ATOM 1486 CB VAL A 101 -16.346 -14.348 -11.959 1.00 42.41 C ATOM 1487 CG1 VAL A 101 -17.247 -13.817 -13.051 1.00 12.12 C ATOM 1488 CG2 VAL A 101 -15.084 -14.979 -12.546 1.00 41.31 C ATOM 0 H VAL A 101 -17.852 -12.327 -10.979 1.00 1.42 H new ATOM 0 HA VAL A 101 -15.417 -13.743 -10.144 1.00 22.00 H new ATOM 0 HB VAL A 101 -16.893 -15.129 -11.431 1.00 42.41 H new ATOM 0 HG11 VAL A 101 -17.471 -14.615 -13.759 1.00 12.12 H new ATOM 0 HG12 VAL A 101 -18.175 -13.451 -12.611 1.00 12.12 H new ATOM 0 HG13 VAL A 101 -16.746 -13.001 -13.571 1.00 12.12 H new ATOM 0 HG21 VAL A 101 -15.363 -15.747 -13.268 1.00 41.31 H new ATOM 0 HG22 VAL A 101 -14.491 -14.211 -13.043 1.00 41.31 H new ATOM 0 HG23 VAL A 101 -14.497 -15.430 -11.746 1.00 41.31 H new ATOM 1498 N PHE A 102 -13.957 -12.023 -11.022 1.00 5.04 N ATOM 1499 CA PHE A 102 -13.032 -11.013 -11.411 1.00 51.43 C ATOM 1500 C PHE A 102 -11.682 -11.650 -11.631 1.00 61.34 C ATOM 1501 O PHE A 102 -11.145 -12.287 -10.734 1.00 62.40 O ATOM 1502 CB PHE A 102 -12.971 -9.960 -10.296 1.00 54.52 C ATOM 1503 CG PHE A 102 -11.977 -8.845 -10.485 1.00 23.32 C ATOM 1504 CD1 PHE A 102 -12.258 -7.778 -11.315 1.00 71.22 C ATOM 1505 CD2 PHE A 102 -10.766 -8.862 -9.809 1.00 74.42 C ATOM 1506 CE1 PHE A 102 -11.351 -6.750 -11.472 1.00 72.23 C ATOM 1507 CE2 PHE A 102 -9.859 -7.839 -9.960 1.00 0.43 C ATOM 1508 CZ PHE A 102 -10.151 -6.781 -10.792 1.00 63.40 C ATOM 0 H PHE A 102 -13.595 -12.655 -10.308 1.00 5.04 H new ATOM 0 HA PHE A 102 -13.341 -10.529 -12.338 1.00 51.43 H new ATOM 0 HB2 PHE A 102 -13.962 -9.520 -10.187 1.00 54.52 H new ATOM 0 HB3 PHE A 102 -12.742 -10.467 -9.359 1.00 54.52 H new ATOM 0 HD1 PHE A 102 -13.197 -7.748 -11.847 1.00 71.22 H new ATOM 0 HD2 PHE A 102 -10.532 -9.689 -9.155 1.00 74.42 H new ATOM 0 HE1 PHE A 102 -11.580 -5.922 -12.126 1.00 72.23 H new ATOM 0 HE2 PHE A 102 -8.920 -7.865 -9.427 1.00 0.43 H new ATOM 0 HZ PHE A 102 -9.441 -5.976 -10.912 1.00 63.40 H new ATOM 1518 N ARG A 103 -11.162 -11.499 -12.833 1.00 44.23 N ATOM 1519 CA ARG A 103 -9.858 -12.012 -13.213 1.00 11.05 C ATOM 1520 C ARG A 103 -9.662 -13.516 -12.952 1.00 52.12 C ATOM 1521 O ARG A 103 -8.741 -13.936 -12.235 1.00 74.32 O ATOM 1522 CB ARG A 103 -8.732 -11.160 -12.673 1.00 40.51 C ATOM 1523 CG ARG A 103 -8.879 -9.703 -13.078 1.00 42.15 C ATOM 1524 CD ARG A 103 -7.601 -8.962 -12.896 1.00 0.44 C ATOM 1525 NE ARG A 103 -6.587 -9.443 -13.846 1.00 70.44 N ATOM 1526 CZ ARG A 103 -5.297 -9.542 -13.589 1.00 23.21 C ATOM 1527 NH1 ARG A 103 -4.881 -9.458 -12.347 1.00 42.42 N ATOM 1528 NH2 ARG A 103 -4.447 -9.813 -14.554 1.00 24.43 N ATOM 0 H ARG A 103 -11.641 -11.008 -13.587 1.00 44.23 H new ATOM 0 HA ARG A 103 -9.822 -11.929 -14.299 1.00 11.05 H new ATOM 0 HB2 ARG A 103 -8.710 -11.234 -11.586 1.00 40.51 H new ATOM 0 HB3 ARG A 103 -7.779 -11.544 -13.038 1.00 40.51 H new ATOM 0 HG2 ARG A 103 -9.192 -9.642 -14.120 1.00 42.15 H new ATOM 0 HG3 ARG A 103 -9.662 -9.234 -12.482 1.00 42.15 H new ATOM 0 HD2 ARG A 103 -7.768 -7.895 -13.043 1.00 0.44 H new ATOM 0 HD3 ARG A 103 -7.241 -9.091 -11.875 1.00 0.44 H new ATOM 0 HE ARG A 103 -6.905 -9.721 -14.774 1.00 70.44 H new ATOM 0 HH11 ARG A 103 -5.553 -9.318 -11.593 1.00 42.42 H new ATOM 0 HH12 ARG A 103 -3.886 -9.533 -12.136 1.00 42.42 H new ATOM 0 HH21 ARG A 103 -4.784 -9.948 -15.507 1.00 24.43 H new ATOM 0 HH22 ARG A 103 -3.451 -9.888 -14.350 1.00 24.43 H new ATOM 1542 N GLY A 104 -10.573 -14.300 -13.503 1.00 21.52 N ATOM 1543 CA GLY A 104 -10.538 -15.765 -13.409 1.00 15.13 C ATOM 1544 C GLY A 104 -10.864 -16.346 -12.038 1.00 70.54 C ATOM 1545 O GLY A 104 -10.765 -17.560 -11.837 1.00 1.35 O ATOM 0 H GLY A 104 -11.367 -13.943 -14.034 1.00 21.52 H new ATOM 0 HA2 GLY A 104 -11.242 -16.174 -14.134 1.00 15.13 H new ATOM 0 HA3 GLY A 104 -9.545 -16.106 -13.701 1.00 15.13 H new ATOM 1549 N ARG A 105 -11.202 -15.513 -11.101 1.00 21.45 N ATOM 1550 CA ARG A 105 -11.551 -15.972 -9.765 1.00 33.42 C ATOM 1551 C ARG A 105 -12.788 -15.277 -9.251 1.00 0.01 C ATOM 1552 O ARG A 105 -13.133 -14.201 -9.703 1.00 21.33 O ATOM 1553 CB ARG A 105 -10.382 -15.717 -8.811 1.00 44.40 C ATOM 1554 CG ARG A 105 -9.866 -14.299 -8.908 1.00 74.33 C ATOM 1555 CD ARG A 105 -8.788 -13.980 -7.913 1.00 75.13 C ATOM 1556 NE ARG A 105 -7.675 -14.940 -7.915 1.00 64.45 N ATOM 1557 CZ ARG A 105 -6.700 -15.035 -8.825 1.00 72.43 C ATOM 1558 NH1 ARG A 105 -6.754 -14.343 -9.966 1.00 70.11 N ATOM 1559 NH2 ARG A 105 -5.680 -15.845 -8.589 1.00 1.42 N ATOM 0 H ARG A 105 -11.248 -14.502 -11.226 1.00 21.45 H new ATOM 0 HA ARG A 105 -11.760 -17.041 -9.817 1.00 33.42 H new ATOM 0 HB2 ARG A 105 -10.700 -15.917 -7.788 1.00 44.40 H new ATOM 0 HB3 ARG A 105 -9.573 -16.413 -9.036 1.00 44.40 H new ATOM 0 HG2 ARG A 105 -9.482 -14.130 -9.914 1.00 74.33 H new ATOM 0 HG3 ARG A 105 -10.697 -13.609 -8.764 1.00 74.33 H new ATOM 0 HD2 ARG A 105 -8.397 -12.984 -8.122 1.00 75.13 H new ATOM 0 HD3 ARG A 105 -9.226 -13.948 -6.915 1.00 75.13 H new ATOM 0 HE ARG A 105 -7.643 -15.603 -7.141 1.00 64.45 H new ATOM 0 HH11 ARG A 105 -7.548 -13.730 -10.154 1.00 70.11 H new ATOM 0 HH12 ARG A 105 -6.002 -14.427 -10.650 1.00 70.11 H new ATOM 0 HH21 ARG A 105 -5.647 -16.384 -7.724 1.00 1.42 H new ATOM 0 HH22 ARG A 105 -4.927 -15.930 -9.272 1.00 1.42 H new ATOM 1573 N THR A 106 -13.448 -15.894 -8.325 1.00 65.44 N ATOM 1574 CA THR A 106 -14.578 -15.301 -7.693 1.00 51.30 C ATOM 1575 C THR A 106 -14.050 -14.496 -6.508 1.00 22.43 C ATOM 1576 O THR A 106 -13.432 -15.052 -5.622 1.00 60.22 O ATOM 1577 CB THR A 106 -15.526 -16.415 -7.195 1.00 24.42 C ATOM 1578 OG1 THR A 106 -15.827 -17.289 -8.303 1.00 61.04 O ATOM 1579 CG2 THR A 106 -16.826 -15.838 -6.645 1.00 51.31 C ATOM 0 H THR A 106 -13.216 -16.827 -7.985 1.00 65.44 H new ATOM 0 HA THR A 106 -15.130 -14.660 -8.380 1.00 51.30 H new ATOM 0 HB THR A 106 -15.032 -16.960 -6.390 1.00 24.42 H new ATOM 0 HG1 THR A 106 -16.427 -18.003 -8.003 1.00 61.04 H new ATOM 0 HG21 THR A 106 -17.469 -16.650 -6.304 1.00 51.31 H new ATOM 0 HG22 THR A 106 -16.605 -15.175 -5.809 1.00 51.31 H new ATOM 0 HG23 THR A 106 -17.335 -15.277 -7.429 1.00 51.31 H new ATOM 1587 N ILE A 107 -14.277 -13.218 -6.478 1.00 3.02 N ATOM 1588 CA ILE A 107 -13.717 -12.419 -5.395 1.00 73.52 C ATOM 1589 C ILE A 107 -14.762 -12.114 -4.367 1.00 63.04 C ATOM 1590 O ILE A 107 -15.937 -12.400 -4.577 1.00 61.12 O ATOM 1591 CB ILE A 107 -13.071 -11.089 -5.881 1.00 71.35 C ATOM 1592 CG1 ILE A 107 -14.111 -10.185 -6.565 1.00 12.02 C ATOM 1593 CG2 ILE A 107 -11.893 -11.379 -6.813 1.00 65.21 C ATOM 1594 CD1 ILE A 107 -13.587 -8.815 -6.948 1.00 30.44 C ATOM 0 H ILE A 107 -14.829 -12.703 -7.164 1.00 3.02 H new ATOM 0 HA ILE A 107 -12.924 -13.025 -4.957 1.00 73.52 H new ATOM 0 HB ILE A 107 -12.694 -10.553 -5.010 1.00 71.35 H new ATOM 0 HG12 ILE A 107 -14.477 -10.685 -7.461 1.00 12.02 H new ATOM 0 HG13 ILE A 107 -14.964 -10.062 -5.898 1.00 12.02 H new ATOM 0 HG21 ILE A 107 -11.452 -10.439 -7.145 1.00 65.21 H new ATOM 0 HG22 ILE A 107 -11.143 -11.964 -6.281 1.00 65.21 H new ATOM 0 HG23 ILE A 107 -12.244 -11.941 -7.679 1.00 65.21 H new ATOM 0 HD11 ILE A 107 -14.382 -8.241 -7.424 1.00 30.44 H new ATOM 0 HD12 ILE A 107 -13.248 -8.292 -6.054 1.00 30.44 H new ATOM 0 HD13 ILE A 107 -12.754 -8.925 -7.642 1.00 30.44 H new ATOM 1606 N LYS A 108 -14.338 -11.556 -3.259 1.00 50.25 N ATOM 1607 CA LYS A 108 -15.224 -11.277 -2.161 1.00 0.13 C ATOM 1608 C LYS A 108 -15.048 -9.844 -1.736 1.00 53.15 C ATOM 1609 O LYS A 108 -13.923 -9.420 -1.466 1.00 22.34 O ATOM 1610 CB LYS A 108 -14.932 -12.224 -0.970 1.00 42.14 C ATOM 1611 CG LYS A 108 -15.848 -12.014 0.242 1.00 71.01 C ATOM 1612 CD LYS A 108 -17.296 -12.243 -0.136 1.00 23.11 C ATOM 1613 CE LYS A 108 -18.250 -12.014 1.027 1.00 24.00 C ATOM 1614 NZ LYS A 108 -19.663 -12.330 0.664 1.00 63.03 N ATOM 0 H LYS A 108 -13.369 -11.284 -3.096 1.00 50.25 H new ATOM 0 HA LYS A 108 -16.253 -11.441 -2.482 1.00 0.13 H new ATOM 0 HB2 LYS A 108 -15.028 -13.255 -1.309 1.00 42.14 H new ATOM 0 HB3 LYS A 108 -13.897 -12.087 -0.657 1.00 42.14 H new ATOM 0 HG2 LYS A 108 -15.563 -12.697 1.042 1.00 71.01 H new ATOM 0 HG3 LYS A 108 -15.723 -11.002 0.628 1.00 71.01 H new ATOM 0 HD2 LYS A 108 -17.563 -11.576 -0.956 1.00 23.11 H new ATOM 0 HD3 LYS A 108 -17.415 -13.263 -0.503 1.00 23.11 H new ATOM 0 HE2 LYS A 108 -17.946 -12.632 1.872 1.00 24.00 H new ATOM 0 HE3 LYS A 108 -18.183 -10.976 1.351 1.00 24.00 H new ATOM 0 HZ1 LYS A 108 -20.305 -11.900 1.360 1.00 63.03 H new ATOM 0 HZ2 LYS A 108 -19.872 -11.950 -0.281 1.00 63.03 H new ATOM 0 HZ3 LYS A 108 -19.798 -13.361 0.660 1.00 63.03 H new ATOM 1628 N VAL A 109 -16.135 -9.098 -1.696 1.00 45.24 N ATOM 1629 CA VAL A 109 -16.078 -7.727 -1.272 1.00 62.14 C ATOM 1630 C VAL A 109 -17.125 -7.425 -0.207 1.00 3.24 C ATOM 1631 O VAL A 109 -18.311 -7.608 -0.419 1.00 44.24 O ATOM 1632 CB VAL A 109 -16.048 -6.680 -2.443 1.00 52.02 C ATOM 1633 CG1 VAL A 109 -17.274 -6.693 -3.329 1.00 32.13 C ATOM 1634 CG2 VAL A 109 -15.761 -5.284 -1.925 1.00 41.51 C ATOM 0 H VAL A 109 -17.066 -9.426 -1.954 1.00 45.24 H new ATOM 0 HA VAL A 109 -15.103 -7.603 -0.801 1.00 62.14 H new ATOM 0 HB VAL A 109 -15.226 -6.995 -3.086 1.00 52.02 H new ATOM 0 HG11 VAL A 109 -17.167 -5.939 -4.109 1.00 32.13 H new ATOM 0 HG12 VAL A 109 -17.382 -7.676 -3.787 1.00 32.13 H new ATOM 0 HG13 VAL A 109 -18.158 -6.473 -2.730 1.00 32.13 H new ATOM 0 HG21 VAL A 109 -15.747 -4.582 -2.759 1.00 41.51 H new ATOM 0 HG22 VAL A 109 -16.537 -4.992 -1.218 1.00 41.51 H new ATOM 0 HG23 VAL A 109 -14.792 -5.273 -1.425 1.00 41.51 H new ATOM 1644 N LEU A 110 -16.686 -6.975 0.924 1.00 64.33 N ATOM 1645 CA LEU A 110 -17.585 -6.685 2.020 1.00 50.52 C ATOM 1646 C LEU A 110 -16.999 -5.504 2.778 1.00 42.33 C ATOM 1647 O LEU A 110 -15.813 -5.239 2.623 1.00 75.22 O ATOM 1648 CB LEU A 110 -17.904 -7.961 2.927 1.00 12.24 C ATOM 1649 CG LEU A 110 -16.815 -8.582 3.848 1.00 42.31 C ATOM 1650 CD1 LEU A 110 -15.539 -8.895 3.130 1.00 30.14 C ATOM 1651 CD2 LEU A 110 -16.585 -7.760 5.097 1.00 34.32 C ATOM 0 H LEU A 110 -15.702 -6.795 1.124 1.00 64.33 H new ATOM 0 HA LEU A 110 -18.571 -6.413 1.643 1.00 50.52 H new ATOM 0 HB2 LEU A 110 -18.748 -7.697 3.564 1.00 12.24 H new ATOM 0 HB3 LEU A 110 -18.245 -8.751 2.258 1.00 12.24 H new ATOM 0 HG LEU A 110 -17.214 -9.544 4.171 1.00 42.31 H new ATOM 0 HD11 LEU A 110 -14.823 -9.325 3.831 1.00 30.14 H new ATOM 0 HD12 LEU A 110 -15.737 -9.608 2.330 1.00 30.14 H new ATOM 0 HD13 LEU A 110 -15.126 -7.980 2.706 1.00 30.14 H new ATOM 0 HD21 LEU A 110 -15.816 -8.234 5.708 1.00 34.32 H new ATOM 0 HD22 LEU A 110 -16.260 -6.758 4.818 1.00 34.32 H new ATOM 0 HD23 LEU A 110 -17.512 -7.696 5.666 1.00 34.32 H new ATOM 1663 N PRO A 111 -17.785 -4.771 3.571 1.00 45.51 N ATOM 1664 CA PRO A 111 -17.302 -3.565 4.256 1.00 61.43 C ATOM 1665 C PRO A 111 -16.151 -3.832 5.217 1.00 4.32 C ATOM 1666 O PRO A 111 -16.176 -4.793 6.005 1.00 50.34 O ATOM 1667 CB PRO A 111 -18.527 -3.083 5.039 1.00 72.03 C ATOM 1668 CG PRO A 111 -19.682 -3.715 4.354 1.00 75.42 C ATOM 1669 CD PRO A 111 -19.196 -5.041 3.885 1.00 5.33 C ATOM 0 HA PRO A 111 -16.907 -2.843 3.541 1.00 61.43 H new ATOM 0 HB2 PRO A 111 -18.473 -3.385 6.085 1.00 72.03 H new ATOM 0 HB3 PRO A 111 -18.604 -1.996 5.025 1.00 72.03 H new ATOM 0 HG2 PRO A 111 -20.527 -3.826 5.033 1.00 75.42 H new ATOM 0 HG3 PRO A 111 -20.023 -3.105 3.518 1.00 75.42 H new ATOM 0 HD2 PRO A 111 -19.301 -5.807 4.654 1.00 5.33 H new ATOM 0 HD3 PRO A 111 -19.747 -5.389 3.011 1.00 5.33 H new ATOM 1677 N LYS A 112 -15.140 -3.005 5.148 1.00 14.11 N ATOM 1678 CA LYS A 112 -14.073 -3.074 6.095 1.00 23.23 C ATOM 1679 C LYS A 112 -14.569 -2.352 7.308 1.00 14.13 C ATOM 1680 O LYS A 112 -14.625 -1.142 7.334 1.00 32.51 O ATOM 1681 CB LYS A 112 -12.780 -2.461 5.541 1.00 64.55 C ATOM 1682 CG LYS A 112 -11.610 -2.480 6.532 1.00 62.24 C ATOM 1683 CD LYS A 112 -10.288 -2.073 5.880 1.00 65.22 C ATOM 1684 CE LYS A 112 -10.402 -0.757 5.159 1.00 62.21 C ATOM 1685 NZ LYS A 112 -9.134 -0.338 4.522 1.00 61.52 N ATOM 0 H LYS A 112 -15.039 -2.276 4.442 1.00 14.11 H new ATOM 0 HA LYS A 112 -13.811 -4.105 6.332 1.00 23.23 H new ATOM 0 HB2 LYS A 112 -12.490 -3.002 4.640 1.00 64.55 H new ATOM 0 HB3 LYS A 112 -12.976 -1.431 5.245 1.00 64.55 H new ATOM 0 HG2 LYS A 112 -11.827 -1.805 7.359 1.00 62.24 H new ATOM 0 HG3 LYS A 112 -11.511 -3.480 6.954 1.00 62.24 H new ATOM 0 HD2 LYS A 112 -9.513 -2.003 6.643 1.00 65.22 H new ATOM 0 HD3 LYS A 112 -9.976 -2.846 5.178 1.00 65.22 H new ATOM 0 HE2 LYS A 112 -11.178 -0.832 4.397 1.00 62.21 H new ATOM 0 HE3 LYS A 112 -10.720 0.011 5.864 1.00 62.21 H new ATOM 0 HZ1 LYS A 112 -9.333 0.065 3.584 1.00 61.52 H new ATOM 0 HZ2 LYS A 112 -8.668 0.378 5.115 1.00 61.52 H new ATOM 0 HZ3 LYS A 112 -8.508 -1.162 4.419 1.00 61.52 H new ATOM 2166 N GLY B 21 -10.202 -8.043 8.659 1.00 22.35 N ATOM 2167 CA GLY B 21 -11.434 -8.778 8.498 1.00 20.05 C ATOM 2168 C GLY B 21 -11.214 -10.267 8.593 1.00 15.43 C ATOM 2169 O GLY B 21 -11.269 -10.827 9.694 1.00 71.53 O ATOM 0 HA2 GLY B 21 -12.146 -8.466 9.262 1.00 20.05 H new ATOM 0 HA3 GLY B 21 -11.878 -8.537 7.532 1.00 20.05 H new ATOM 2173 N PRO B 22 -11.045 -10.960 7.449 1.00 22.23 N ATOM 2174 CA PRO B 22 -10.657 -12.365 7.435 1.00 65.32 C ATOM 2175 C PRO B 22 -9.436 -12.638 8.403 1.00 1.24 C ATOM 2176 O PRO B 22 -9.564 -13.467 9.317 1.00 2.33 O ATOM 2177 CB PRO B 22 -10.367 -12.675 5.940 1.00 11.42 C ATOM 2178 CG PRO B 22 -10.494 -11.347 5.226 1.00 12.44 C ATOM 2179 CD PRO B 22 -11.292 -10.448 6.102 1.00 73.33 C ATOM 0 HA PRO B 22 -11.433 -13.028 7.817 1.00 65.32 H new ATOM 0 HB2 PRO B 22 -9.370 -13.097 5.812 1.00 11.42 H new ATOM 0 HB3 PRO B 22 -11.075 -13.404 5.545 1.00 11.42 H new ATOM 0 HG2 PRO B 22 -9.510 -10.920 5.031 1.00 12.44 H new ATOM 0 HG3 PRO B 22 -10.983 -11.475 4.260 1.00 12.44 H new ATOM 0 HD2 PRO B 22 -10.974 -9.410 6.005 1.00 73.33 H new ATOM 0 HD3 PRO B 22 -12.352 -10.482 5.850 1.00 73.33 H new ATOM 2187 N PRO B 23 -8.250 -11.951 8.251 1.00 23.22 N ATOM 2188 CA PRO B 23 -7.212 -12.019 9.244 1.00 60.31 C ATOM 2189 C PRO B 23 -7.430 -10.910 10.275 1.00 50.21 C ATOM 2190 O PRO B 23 -7.773 -9.791 9.922 1.00 23.03 O ATOM 2191 CB PRO B 23 -5.907 -11.757 8.450 1.00 52.10 C ATOM 2192 CG PRO B 23 -6.330 -11.195 7.126 1.00 31.41 C ATOM 2193 CD PRO B 23 -7.829 -11.094 7.129 1.00 12.12 C ATOM 0 HA PRO B 23 -7.190 -12.969 9.778 1.00 60.31 H new ATOM 0 HB2 PRO B 23 -5.261 -11.058 8.982 1.00 52.10 H new ATOM 0 HB3 PRO B 23 -5.339 -12.678 8.319 1.00 52.10 H new ATOM 0 HG2 PRO B 23 -5.881 -10.215 6.966 1.00 31.41 H new ATOM 0 HG3 PRO B 23 -5.992 -11.837 6.313 1.00 31.41 H new ATOM 0 HD2 PRO B 23 -8.158 -10.064 7.270 1.00 12.12 H new ATOM 0 HD3 PRO B 23 -8.253 -11.438 6.185 1.00 12.12 H new ATOM 2201 N GLN B 24 -7.287 -11.213 11.519 1.00 23.32 N ATOM 2202 CA GLN B 24 -7.387 -10.186 12.507 1.00 64.32 C ATOM 2203 C GLN B 24 -6.025 -9.768 12.945 1.00 13.41 C ATOM 2204 O GLN B 24 -5.132 -10.637 13.093 1.00 54.21 O ATOM 2205 CB GLN B 24 -8.282 -10.567 13.675 1.00 1.01 C ATOM 2206 CG GLN B 24 -9.759 -10.535 13.349 1.00 40.24 C ATOM 2207 CD GLN B 24 -10.235 -9.130 13.010 1.00 40.51 C ATOM 2208 OE1 GLN B 24 -10.234 -8.715 11.856 1.00 42.11 O ATOM 2209 NE2 GLN B 24 -10.598 -8.380 14.022 1.00 73.40 N ATOM 0 H GLN B 24 -7.103 -12.150 11.877 1.00 23.32 H new ATOM 0 HA GLN B 24 -7.878 -9.329 12.046 1.00 64.32 H new ATOM 0 HB2 GLN B 24 -8.016 -11.569 14.013 1.00 1.01 H new ATOM 0 HB3 GLN B 24 -8.088 -9.888 14.506 1.00 1.01 H new ATOM 0 HG2 GLN B 24 -9.960 -11.199 12.508 1.00 40.24 H new ATOM 0 HG3 GLN B 24 -10.327 -10.916 14.198 1.00 40.24 H new ATOM 0 HE21 GLN B 24 -10.586 -8.760 14.969 1.00 73.40 H new ATOM 0 HE22 GLN B 24 -10.893 -7.416 13.863 1.00 73.40 H new ATOM 2218 N PRO B 25 -5.840 -8.432 13.128 1.00 23.35 N ATOM 2219 CA PRO B 25 -4.575 -7.786 13.459 1.00 12.13 C ATOM 2220 C PRO B 25 -3.629 -8.655 14.260 1.00 34.34 C ATOM 2221 O PRO B 25 -3.987 -9.179 15.307 1.00 13.22 O ATOM 2222 CB PRO B 25 -5.002 -6.572 14.287 1.00 52.35 C ATOM 2223 CG PRO B 25 -6.453 -6.340 13.965 1.00 12.24 C ATOM 2224 CD PRO B 25 -6.899 -7.432 13.020 1.00 31.34 C ATOM 0 HA PRO B 25 -4.016 -7.546 12.555 1.00 12.13 H new ATOM 0 HB2 PRO B 25 -4.864 -6.758 15.352 1.00 52.35 H new ATOM 0 HB3 PRO B 25 -4.402 -5.698 14.035 1.00 52.35 H new ATOM 0 HG2 PRO B 25 -7.053 -6.354 14.875 1.00 12.24 H new ATOM 0 HG3 PRO B 25 -6.591 -5.360 13.508 1.00 12.24 H new ATOM 0 HD2 PRO B 25 -7.868 -7.841 13.308 1.00 31.34 H new ATOM 0 HD3 PRO B 25 -7.000 -7.063 11.999 1.00 31.34 H new ATOM 2232 N LEU B 26 -2.443 -8.826 13.734 1.00 32.52 N ATOM 2233 CA LEU B 26 -1.391 -9.599 14.366 1.00 5.33 C ATOM 2234 C LEU B 26 -1.050 -9.106 15.789 1.00 53.22 C ATOM 2235 O LEU B 26 -1.501 -8.040 16.212 1.00 2.12 O ATOM 2236 CB LEU B 26 -0.131 -9.780 13.443 1.00 3.41 C ATOM 2237 CG LEU B 26 0.494 -8.541 12.700 1.00 12.11 C ATOM 2238 CD1 LEU B 26 -0.408 -7.999 11.588 1.00 34.12 C ATOM 2239 CD2 LEU B 26 0.840 -7.433 13.666 1.00 23.33 C ATOM 0 H LEU B 26 -2.171 -8.426 12.836 1.00 32.52 H new ATOM 0 HA LEU B 26 -1.795 -10.602 14.504 1.00 5.33 H new ATOM 0 HB2 LEU B 26 0.656 -10.220 14.055 1.00 3.41 H new ATOM 0 HB3 LEU B 26 -0.392 -10.515 12.682 1.00 3.41 H new ATOM 0 HG LEU B 26 1.410 -8.905 12.234 1.00 12.11 H new ATOM 0 HD11 LEU B 26 0.075 -7.146 11.111 1.00 34.12 H new ATOM 0 HD12 LEU B 26 -0.580 -8.779 10.847 1.00 34.12 H new ATOM 0 HD13 LEU B 26 -1.361 -7.686 12.013 1.00 34.12 H new ATOM 0 HD21 LEU B 26 1.269 -6.594 13.119 1.00 23.33 H new ATOM 0 HD22 LEU B 26 -0.062 -7.106 14.183 1.00 23.33 H new ATOM 0 HD23 LEU B 26 1.563 -7.799 14.395 1.00 23.33 H new ATOM 2251 N SER B 27 -0.272 -9.870 16.509 1.00 10.11 N ATOM 2252 CA SER B 27 -0.023 -9.572 17.894 1.00 44.33 C ATOM 2253 C SER B 27 0.938 -8.381 18.062 1.00 24.24 C ATOM 2254 O SER B 27 1.616 -7.962 17.116 1.00 2.04 O ATOM 2255 CB SER B 27 0.483 -10.808 18.632 1.00 4.03 C ATOM 2256 OG SER B 27 0.419 -10.626 20.033 1.00 21.41 O ATOM 0 H SER B 27 0.200 -10.704 16.159 1.00 10.11 H new ATOM 0 HA SER B 27 -0.972 -9.277 18.343 1.00 44.33 H new ATOM 0 HB2 SER B 27 -0.113 -11.675 18.347 1.00 4.03 H new ATOM 0 HB3 SER B 27 1.511 -11.017 18.336 1.00 4.03 H new ATOM 0 HG SER B 27 0.747 -11.432 20.483 1.00 21.41 H new ATOM 2262 N ALA B 28 0.966 -7.861 19.278 1.00 43.31 N ATOM 2263 CA ALA B 28 1.728 -6.672 19.644 1.00 0.20 C ATOM 2264 C ALA B 28 3.199 -6.734 19.244 1.00 41.42 C ATOM 2265 O ALA B 28 3.717 -5.797 18.669 1.00 62.44 O ATOM 2266 CB ALA B 28 1.589 -6.397 21.123 1.00 45.03 C ATOM 0 H ALA B 28 0.447 -8.262 20.060 1.00 43.31 H new ATOM 0 HA ALA B 28 1.300 -5.848 19.074 1.00 0.20 H new ATOM 0 HB1 ALA B 28 2.162 -5.507 21.383 1.00 45.03 H new ATOM 0 HB2 ALA B 28 0.539 -6.236 21.366 1.00 45.03 H new ATOM 0 HB3 ALA B 28 1.965 -7.249 21.689 1.00 45.03 H new ATOM 2272 N GLU B 29 3.846 -7.827 19.514 1.00 20.14 N ATOM 2273 CA GLU B 29 5.262 -7.990 19.188 1.00 23.51 C ATOM 2274 C GLU B 29 5.506 -7.975 17.690 1.00 14.13 C ATOM 2275 O GLU B 29 6.478 -7.368 17.213 1.00 60.24 O ATOM 2276 CB GLU B 29 5.767 -9.231 19.842 1.00 23.23 C ATOM 2277 CG GLU B 29 5.873 -9.070 21.337 1.00 3.52 C ATOM 2278 CD GLU B 29 7.197 -8.538 21.775 1.00 10.44 C ATOM 2279 OE1 GLU B 29 8.166 -9.318 21.811 1.00 11.01 O ATOM 2280 OE2 GLU B 29 7.296 -7.346 22.111 1.00 13.32 O ATOM 0 H GLU B 29 3.424 -8.639 19.965 1.00 20.14 H new ATOM 0 HA GLU B 29 5.823 -7.140 19.577 1.00 23.51 H new ATOM 0 HB2 GLU B 29 5.099 -10.061 19.612 1.00 23.23 H new ATOM 0 HB3 GLU B 29 6.745 -9.486 19.433 1.00 23.23 H new ATOM 0 HG2 GLU B 29 5.086 -8.399 21.681 1.00 3.52 H new ATOM 0 HG3 GLU B 29 5.700 -10.035 21.814 1.00 3.52 H new ATOM 2287 N GLU B 30 4.609 -8.603 16.949 1.00 62.22 N ATOM 2288 CA GLU B 30 4.651 -8.563 15.494 1.00 73.05 C ATOM 2289 C GLU B 30 4.537 -7.146 15.008 1.00 75.11 C ATOM 2290 O GLU B 30 5.192 -6.771 14.047 1.00 62.51 O ATOM 2291 CB GLU B 30 3.550 -9.417 14.856 1.00 33.33 C ATOM 2292 CG GLU B 30 3.797 -10.907 14.860 1.00 1.44 C ATOM 2293 CD GLU B 30 4.055 -11.477 16.222 1.00 21.55 C ATOM 2294 OE1 GLU B 30 3.148 -11.490 17.042 1.00 52.51 O ATOM 2295 OE2 GLU B 30 5.171 -11.943 16.471 1.00 4.35 O ATOM 0 H GLU B 30 3.838 -9.150 17.332 1.00 62.22 H new ATOM 0 HA GLU B 30 5.611 -8.981 15.191 1.00 73.05 H new ATOM 0 HB2 GLU B 30 2.614 -9.220 15.378 1.00 33.33 H new ATOM 0 HB3 GLU B 30 3.414 -9.092 13.825 1.00 33.33 H new ATOM 0 HG2 GLU B 30 2.933 -11.410 14.424 1.00 1.44 H new ATOM 0 HG3 GLU B 30 4.650 -11.126 14.218 1.00 1.44 H new ATOM 2302 N LYS B 31 3.755 -6.340 15.725 1.00 51.24 N ATOM 2303 CA LYS B 31 3.518 -4.963 15.350 1.00 33.11 C ATOM 2304 C LYS B 31 4.810 -4.183 15.448 1.00 10.33 C ATOM 2305 O LYS B 31 5.115 -3.375 14.572 1.00 71.13 O ATOM 2306 CB LYS B 31 2.432 -4.326 16.224 1.00 1.33 C ATOM 2307 CG LYS B 31 1.089 -5.012 16.114 1.00 25.25 C ATOM 2308 CD LYS B 31 0.064 -4.414 17.049 1.00 11.22 C ATOM 2309 CE LYS B 31 -1.254 -5.140 16.920 1.00 75.41 C ATOM 2310 NZ LYS B 31 -2.269 -4.632 17.856 1.00 54.12 N ATOM 0 H LYS B 31 3.274 -6.629 16.577 1.00 51.24 H new ATOM 0 HA LYS B 31 3.162 -4.939 14.320 1.00 33.11 H new ATOM 0 HB2 LYS B 31 2.757 -4.345 17.264 1.00 1.33 H new ATOM 0 HB3 LYS B 31 2.320 -3.278 15.944 1.00 1.33 H new ATOM 0 HG2 LYS B 31 0.729 -4.939 15.088 1.00 25.25 H new ATOM 0 HG3 LYS B 31 1.206 -6.073 16.336 1.00 25.25 H new ATOM 0 HD2 LYS B 31 0.421 -4.475 18.077 1.00 11.22 H new ATOM 0 HD3 LYS B 31 -0.072 -3.357 16.821 1.00 11.22 H new ATOM 0 HE2 LYS B 31 -1.623 -5.039 15.899 1.00 75.41 H new ATOM 0 HE3 LYS B 31 -1.099 -6.204 17.099 1.00 75.41 H new ATOM 0 HZ1 LYS B 31 -3.155 -5.162 17.729 1.00 54.12 H new ATOM 0 HZ2 LYS B 31 -1.931 -4.751 18.832 1.00 54.12 H new ATOM 0 HZ3 LYS B 31 -2.439 -3.623 17.669 1.00 54.12 H new ATOM 2324 N LYS B 32 5.598 -4.438 16.517 1.00 34.21 N ATOM 2325 CA LYS B 32 6.895 -3.799 16.654 1.00 13.40 C ATOM 2326 C LYS B 32 7.832 -4.214 15.531 1.00 44.43 C ATOM 2327 O LYS B 32 8.469 -3.377 14.914 1.00 43.22 O ATOM 2328 CB LYS B 32 7.605 -4.099 18.019 1.00 12.32 C ATOM 2329 CG LYS B 32 7.221 -3.283 19.307 1.00 54.31 C ATOM 2330 CD LYS B 32 5.855 -3.582 19.951 1.00 62.41 C ATOM 2331 CE LYS B 32 4.684 -3.073 19.160 1.00 32.13 C ATOM 2332 NZ LYS B 32 4.754 -1.605 18.929 1.00 53.52 N ATOM 0 H LYS B 32 5.351 -5.072 17.277 1.00 34.21 H new ATOM 0 HA LYS B 32 6.687 -2.730 16.609 1.00 13.40 H new ATOM 0 HB2 LYS B 32 7.441 -5.153 18.244 1.00 12.32 H new ATOM 0 HB3 LYS B 32 8.676 -3.969 17.862 1.00 12.32 H new ATOM 0 HG2 LYS B 32 7.993 -3.455 20.058 1.00 54.31 H new ATOM 0 HG3 LYS B 32 7.251 -2.223 19.056 1.00 54.31 H new ATOM 0 HD2 LYS B 32 5.753 -4.660 20.079 1.00 62.41 H new ATOM 0 HD3 LYS B 32 5.829 -3.138 20.946 1.00 62.41 H new ATOM 0 HE2 LYS B 32 4.645 -3.588 18.200 1.00 32.13 H new ATOM 0 HE3 LYS B 32 3.761 -3.312 19.688 1.00 32.13 H new ATOM 0 HZ1 LYS B 32 3.822 -1.256 18.628 1.00 53.52 H new ATOM 0 HZ2 LYS B 32 5.035 -1.128 19.810 1.00 53.52 H new ATOM 0 HZ3 LYS B 32 5.455 -1.403 18.188 1.00 53.52 H new ATOM 2346 N GLU B 33 7.893 -5.508 15.252 1.00 43.34 N ATOM 2347 CA GLU B 33 8.844 -6.015 14.274 1.00 70.13 C ATOM 2348 C GLU B 33 8.498 -5.662 12.839 1.00 4.31 C ATOM 2349 O GLU B 33 9.382 -5.394 12.042 1.00 5.11 O ATOM 2350 CB GLU B 33 9.089 -7.497 14.408 1.00 54.12 C ATOM 2351 CG GLU B 33 9.667 -7.914 15.729 1.00 61.43 C ATOM 2352 CD GLU B 33 10.037 -9.366 15.730 1.00 74.41 C ATOM 2353 OE1 GLU B 33 9.126 -10.225 15.724 1.00 0.42 O ATOM 2354 OE2 GLU B 33 11.248 -9.676 15.725 1.00 4.00 O ATOM 0 H GLU B 33 7.302 -6.219 15.683 1.00 43.34 H new ATOM 0 HA GLU B 33 9.772 -5.496 14.512 1.00 70.13 H new ATOM 0 HB2 GLU B 33 8.147 -8.024 14.255 1.00 54.12 H new ATOM 0 HB3 GLU B 33 9.764 -7.814 13.613 1.00 54.12 H new ATOM 0 HG2 GLU B 33 10.549 -7.312 15.948 1.00 61.43 H new ATOM 0 HG3 GLU B 33 8.944 -7.721 16.522 1.00 61.43 H new ATOM 2361 N ILE B 34 7.229 -5.677 12.493 1.00 13.40 N ATOM 2362 CA ILE B 34 6.836 -5.342 11.120 1.00 64.20 C ATOM 2363 C ILE B 34 7.111 -3.882 10.827 1.00 1.33 C ATOM 2364 O ILE B 34 7.470 -3.527 9.722 1.00 3.03 O ATOM 2365 CB ILE B 34 5.383 -5.742 10.751 1.00 64.44 C ATOM 2366 CG1 ILE B 34 4.350 -5.072 11.672 1.00 1.11 C ATOM 2367 CG2 ILE B 34 5.236 -7.253 10.764 1.00 1.32 C ATOM 2368 CD1 ILE B 34 2.924 -5.512 11.417 1.00 63.14 C ATOM 0 H ILE B 34 6.459 -5.911 13.119 1.00 13.40 H new ATOM 0 HA ILE B 34 7.461 -5.956 10.472 1.00 64.20 H new ATOM 0 HB ILE B 34 5.183 -5.382 9.742 1.00 64.44 H new ATOM 0 HG12 ILE B 34 4.607 -5.289 12.709 1.00 1.11 H new ATOM 0 HG13 ILE B 34 4.414 -3.991 11.548 1.00 1.11 H new ATOM 0 HG21 ILE B 34 4.212 -7.521 10.504 1.00 1.32 H new ATOM 0 HG22 ILE B 34 5.922 -7.692 10.039 1.00 1.32 H new ATOM 0 HG23 ILE B 34 5.469 -7.633 11.759 1.00 1.32 H new ATOM 0 HD11 ILE B 34 2.255 -4.996 12.106 1.00 63.14 H new ATOM 0 HD12 ILE B 34 2.646 -5.270 10.391 1.00 63.14 H new ATOM 0 HD13 ILE B 34 2.842 -6.588 11.570 1.00 63.14 H new ATOM 2380 N ASP B 35 6.951 -3.069 11.847 1.00 62.51 N ATOM 2381 CA ASP B 35 7.219 -1.637 11.797 1.00 54.23 C ATOM 2382 C ASP B 35 8.733 -1.446 11.656 1.00 2.30 C ATOM 2383 O ASP B 35 9.212 -0.706 10.814 1.00 13.14 O ATOM 2384 CB ASP B 35 6.736 -1.065 13.141 1.00 4.13 C ATOM 2385 CG ASP B 35 6.782 0.439 13.307 1.00 62.30 C ATOM 2386 OD1 ASP B 35 5.799 1.121 12.906 1.00 51.23 O ATOM 2387 OD2 ASP B 35 7.691 0.931 13.944 1.00 32.31 O ATOM 0 H ASP B 35 6.623 -3.386 12.759 1.00 62.51 H new ATOM 0 HA ASP B 35 6.719 -1.141 10.965 1.00 54.23 H new ATOM 0 HB2 ASP B 35 5.708 -1.391 13.298 1.00 4.13 H new ATOM 0 HB3 ASP B 35 7.336 -1.511 13.934 1.00 4.13 H new ATOM 2392 N LYS B 36 9.453 -2.211 12.457 1.00 33.35 N ATOM 2393 CA LYS B 36 10.902 -2.179 12.557 1.00 1.22 C ATOM 2394 C LYS B 36 11.585 -2.584 11.217 1.00 71.42 C ATOM 2395 O LYS B 36 12.640 -2.051 10.857 1.00 30.02 O ATOM 2396 CB LYS B 36 11.305 -3.186 13.651 1.00 2.13 C ATOM 2397 CG LYS B 36 12.661 -2.980 14.237 1.00 11.31 C ATOM 2398 CD LYS B 36 13.024 -4.059 15.267 1.00 40.11 C ATOM 2399 CE LYS B 36 12.339 -3.851 16.609 1.00 23.11 C ATOM 2400 NZ LYS B 36 12.760 -4.870 17.602 1.00 64.11 N ATOM 0 H LYS B 36 9.028 -2.898 13.080 1.00 33.35 H new ATOM 0 HA LYS B 36 11.224 -1.165 12.794 1.00 1.22 H new ATOM 0 HB2 LYS B 36 10.569 -3.139 14.454 1.00 2.13 H new ATOM 0 HB3 LYS B 36 11.257 -4.191 13.232 1.00 2.13 H new ATOM 0 HG2 LYS B 36 13.403 -2.980 13.438 1.00 11.31 H new ATOM 0 HG3 LYS B 36 12.704 -2.000 14.712 1.00 11.31 H new ATOM 0 HD2 LYS B 36 12.750 -5.037 14.873 1.00 40.11 H new ATOM 0 HD3 LYS B 36 14.104 -4.066 15.413 1.00 40.11 H new ATOM 0 HE2 LYS B 36 12.573 -2.856 16.987 1.00 23.11 H new ATOM 0 HE3 LYS B 36 11.258 -3.896 16.477 1.00 23.11 H new ATOM 0 HZ1 LYS B 36 12.273 -4.697 18.505 1.00 64.11 H new ATOM 0 HZ2 LYS B 36 12.514 -5.818 17.252 1.00 64.11 H new ATOM 0 HZ3 LYS B 36 13.788 -4.810 17.746 1.00 64.11 H new ATOM 2414 N ARG B 37 10.984 -3.531 10.509 1.00 75.43 N ATOM 2415 CA ARG B 37 11.543 -4.106 9.287 1.00 31.33 C ATOM 2416 C ARG B 37 10.898 -3.552 8.001 1.00 64.44 C ATOM 2417 O ARG B 37 11.078 -4.135 6.924 1.00 44.43 O ATOM 2418 CB ARG B 37 11.308 -5.611 9.332 1.00 33.14 C ATOM 2419 CG ARG B 37 11.990 -6.319 10.484 1.00 0.00 C ATOM 2420 CD ARG B 37 11.531 -7.758 10.586 1.00 30.50 C ATOM 2421 NE ARG B 37 10.106 -7.849 10.939 1.00 14.01 N ATOM 2422 CZ ARG B 37 9.414 -8.990 11.120 1.00 50.13 C ATOM 2423 NH1 ARG B 37 9.983 -10.161 10.903 1.00 32.24 N ATOM 2424 NH2 ARG B 37 8.143 -8.946 11.505 1.00 24.03 N ATOM 0 H ARG B 37 10.081 -3.929 10.769 1.00 75.43 H new ATOM 0 HA ARG B 37 12.601 -3.846 9.252 1.00 31.33 H new ATOM 0 HB2 ARG B 37 10.236 -5.797 9.392 1.00 33.14 H new ATOM 0 HB3 ARG B 37 11.656 -6.048 8.396 1.00 33.14 H new ATOM 0 HG2 ARG B 37 13.071 -6.287 10.346 1.00 0.00 H new ATOM 0 HG3 ARG B 37 11.772 -5.797 11.416 1.00 0.00 H new ATOM 0 HD2 ARG B 37 11.704 -8.264 9.636 1.00 30.50 H new ATOM 0 HD3 ARG B 37 12.126 -8.278 11.337 1.00 30.50 H new ATOM 0 HE ARG B 37 9.598 -6.972 11.057 1.00 14.01 H new ATOM 0 HH11 ARG B 37 10.955 -10.207 10.596 1.00 32.24 H new ATOM 0 HH12 ARG B 37 9.451 -11.020 11.043 1.00 32.24 H new ATOM 0 HH21 ARG B 37 7.689 -8.046 11.664 1.00 24.03 H new ATOM 0 HH22 ARG B 37 7.621 -9.812 11.641 1.00 24.03 H new ATOM 2438 N SER B 38 10.164 -2.474 8.094 1.00 44.41 N ATOM 2439 CA SER B 38 9.491 -1.950 6.919 1.00 23.32 C ATOM 2440 C SER B 38 10.192 -0.716 6.316 1.00 71.00 C ATOM 2441 O SER B 38 11.025 -0.060 6.958 1.00 61.42 O ATOM 2442 CB SER B 38 8.028 -1.646 7.240 1.00 74.22 C ATOM 2443 OG SER B 38 7.334 -1.168 6.098 1.00 53.12 O ATOM 0 H SER B 38 10.014 -1.944 8.953 1.00 44.41 H new ATOM 0 HA SER B 38 9.539 -2.726 6.155 1.00 23.32 H new ATOM 0 HB2 SER B 38 7.541 -2.547 7.612 1.00 74.22 H new ATOM 0 HB3 SER B 38 7.976 -0.903 8.036 1.00 74.22 H new ATOM 0 HG SER B 38 6.576 -1.759 5.905 1.00 53.12 H new ATOM 2449 N VAL B 39 9.824 -0.409 5.076 1.00 52.34 N ATOM 2450 CA VAL B 39 10.336 0.722 4.322 1.00 45.11 C ATOM 2451 C VAL B 39 9.225 1.441 3.574 1.00 71.40 C ATOM 2452 O VAL B 39 8.143 0.898 3.372 1.00 53.32 O ATOM 2453 CB VAL B 39 11.446 0.337 3.298 1.00 33.21 C ATOM 2454 CG1 VAL B 39 12.724 -0.011 3.990 1.00 70.15 C ATOM 2455 CG2 VAL B 39 11.010 -0.831 2.445 1.00 51.15 C ATOM 0 H VAL B 39 9.141 -0.959 4.556 1.00 52.34 H new ATOM 0 HA VAL B 39 10.777 1.379 5.071 1.00 45.11 H new ATOM 0 HB VAL B 39 11.613 1.206 2.662 1.00 33.21 H new ATOM 0 HG11 VAL B 39 13.479 -0.275 3.249 1.00 70.15 H new ATOM 0 HG12 VAL B 39 13.069 0.845 4.570 1.00 70.15 H new ATOM 0 HG13 VAL B 39 12.558 -0.857 4.656 1.00 70.15 H new ATOM 0 HG21 VAL B 39 11.801 -1.081 1.738 1.00 51.15 H new ATOM 0 HG22 VAL B 39 10.808 -1.692 3.083 1.00 51.15 H new ATOM 0 HG23 VAL B 39 10.106 -0.564 1.898 1.00 51.15 H new ATOM 2465 N TYR B 40 9.526 2.634 3.157 1.00 62.22 N ATOM 2466 CA TYR B 40 8.661 3.487 2.385 1.00 21.21 C ATOM 2467 C TYR B 40 9.233 3.623 1.016 1.00 23.42 C ATOM 2468 O TYR B 40 10.389 3.977 0.870 1.00 42.43 O ATOM 2469 CB TYR B 40 8.573 4.892 3.023 1.00 70.34 C ATOM 2470 CG TYR B 40 8.033 5.992 2.083 1.00 3.53 C ATOM 2471 CD1 TYR B 40 6.683 6.165 1.853 1.00 60.11 C ATOM 2472 CD2 TYR B 40 8.912 6.848 1.429 1.00 22.22 C ATOM 2473 CE1 TYR B 40 6.221 7.155 1.010 1.00 33.42 C ATOM 2474 CE2 TYR B 40 8.474 7.834 0.591 1.00 42.01 C ATOM 2475 CZ TYR B 40 7.117 7.989 0.382 1.00 61.42 C ATOM 2476 OH TYR B 40 6.657 8.974 -0.459 1.00 12.33 O ATOM 0 H TYR B 40 10.429 3.065 3.355 1.00 62.22 H new ATOM 0 HA TYR B 40 7.664 3.049 2.352 1.00 21.21 H new ATOM 0 HB2 TYR B 40 7.932 4.838 3.903 1.00 70.34 H new ATOM 0 HB3 TYR B 40 9.565 5.183 3.369 1.00 70.34 H new ATOM 0 HD1 TYR B 40 5.975 5.513 2.342 1.00 60.11 H new ATOM 0 HD2 TYR B 40 9.974 6.730 1.588 1.00 22.22 H new ATOM 0 HE1 TYR B 40 5.161 7.275 0.844 1.00 33.42 H new ATOM 0 HE2 TYR B 40 9.180 8.485 0.097 1.00 42.01 H new ATOM 0 HH TYR B 40 7.417 9.476 -0.821 1.00 12.33 H new ATOM 2486 N VAL B 41 8.452 3.325 0.041 1.00 20.13 N ATOM 2487 CA VAL B 41 8.805 3.488 -1.334 1.00 31.32 C ATOM 2488 C VAL B 41 7.912 4.583 -1.894 1.00 73.25 C ATOM 2489 O VAL B 41 6.693 4.398 -2.016 1.00 4.52 O ATOM 2490 CB VAL B 41 8.504 2.190 -2.104 1.00 63.04 C ATOM 2491 CG1 VAL B 41 8.883 2.316 -3.577 1.00 0.32 C ATOM 2492 CG2 VAL B 41 9.239 1.028 -1.466 1.00 11.32 C ATOM 0 H VAL B 41 7.515 2.947 0.177 1.00 20.13 H new ATOM 0 HA VAL B 41 9.863 3.731 -1.430 1.00 31.32 H new ATOM 0 HB VAL B 41 7.431 2.006 -2.053 1.00 63.04 H new ATOM 0 HG11 VAL B 41 8.658 1.382 -4.092 1.00 0.32 H new ATOM 0 HG12 VAL B 41 8.314 3.127 -4.031 1.00 0.32 H new ATOM 0 HG13 VAL B 41 9.949 2.529 -3.662 1.00 0.32 H new ATOM 0 HG21 VAL B 41 9.021 0.113 -2.017 1.00 11.32 H new ATOM 0 HG22 VAL B 41 10.312 1.219 -1.490 1.00 11.32 H new ATOM 0 HG23 VAL B 41 8.914 0.915 -0.432 1.00 11.32 H new ATOM 2502 N GLY B 42 8.474 5.708 -2.198 1.00 13.34 N ATOM 2503 CA GLY B 42 7.673 6.788 -2.681 1.00 1.03 C ATOM 2504 C GLY B 42 7.942 7.141 -4.106 1.00 70.11 C ATOM 2505 O GLY B 42 8.893 6.644 -4.715 1.00 73.22 O ATOM 0 H GLY B 42 9.472 5.903 -2.122 1.00 13.34 H new ATOM 0 HA2 GLY B 42 6.621 6.525 -2.573 1.00 1.03 H new ATOM 0 HA3 GLY B 42 7.848 7.666 -2.059 1.00 1.03 H new ATOM 2509 N ASN B 43 7.089 8.012 -4.619 1.00 50.52 N ATOM 2510 CA ASN B 43 7.075 8.506 -6.007 1.00 24.35 C ATOM 2511 C ASN B 43 6.740 7.378 -7.004 1.00 22.04 C ATOM 2512 O ASN B 43 6.816 7.551 -8.202 1.00 25.14 O ATOM 2513 CB ASN B 43 8.379 9.266 -6.380 1.00 3.32 C ATOM 2514 CG ASN B 43 8.275 10.021 -7.720 1.00 62.40 C ATOM 2515 OD1 ASN B 43 7.195 10.452 -8.130 1.00 75.01 O ATOM 2516 ND2 ASN B 43 9.377 10.199 -8.395 1.00 33.43 N ATOM 0 H ASN B 43 6.343 8.422 -4.057 1.00 50.52 H new ATOM 0 HA ASN B 43 6.273 9.241 -6.078 1.00 24.35 H new ATOM 0 HB2 ASN B 43 8.619 9.975 -5.588 1.00 3.32 H new ATOM 0 HB3 ASN B 43 9.204 8.556 -6.433 1.00 3.32 H new ATOM 0 HD21 ASN B 43 9.356 10.704 -9.281 1.00 33.43 H new ATOM 0 HD22 ASN B 43 10.259 9.834 -8.037 1.00 33.43 H new ATOM 2523 N VAL B 44 6.340 6.231 -6.485 1.00 43.14 N ATOM 2524 CA VAL B 44 5.884 5.135 -7.317 1.00 43.44 C ATOM 2525 C VAL B 44 4.622 5.574 -8.038 1.00 13.11 C ATOM 2526 O VAL B 44 3.622 5.957 -7.418 1.00 21.44 O ATOM 2527 CB VAL B 44 5.699 3.810 -6.497 1.00 44.32 C ATOM 2528 CG1 VAL B 44 4.758 3.980 -5.335 1.00 35.23 C ATOM 2529 CG2 VAL B 44 5.253 2.675 -7.383 1.00 62.10 C ATOM 0 H VAL B 44 6.322 6.035 -5.484 1.00 43.14 H new ATOM 0 HA VAL B 44 6.643 4.895 -8.061 1.00 43.44 H new ATOM 0 HB VAL B 44 6.677 3.561 -6.085 1.00 44.32 H new ATOM 0 HG11 VAL B 44 4.665 3.034 -4.801 1.00 35.23 H new ATOM 0 HG12 VAL B 44 5.148 4.741 -4.659 1.00 35.23 H new ATOM 0 HG13 VAL B 44 3.779 4.287 -5.702 1.00 35.23 H new ATOM 0 HG21 VAL B 44 5.134 1.772 -6.785 1.00 62.10 H new ATOM 0 HG22 VAL B 44 4.301 2.930 -7.849 1.00 62.10 H new ATOM 0 HG23 VAL B 44 6.001 2.502 -8.157 1.00 62.10 H new ATOM 2539 N ASP B 45 4.700 5.589 -9.345 1.00 62.05 N ATOM 2540 CA ASP B 45 3.629 6.103 -10.157 1.00 3.13 C ATOM 2541 C ASP B 45 2.418 5.222 -10.087 1.00 74.14 C ATOM 2542 O ASP B 45 2.532 3.993 -9.935 1.00 43.40 O ATOM 2543 CB ASP B 45 4.078 6.322 -11.614 1.00 3.14 C ATOM 2544 CG ASP B 45 2.957 6.833 -12.523 1.00 51.03 C ATOM 2545 OD1 ASP B 45 2.496 7.966 -12.341 1.00 21.54 O ATOM 2546 OD2 ASP B 45 2.544 6.106 -13.444 1.00 73.50 O ATOM 0 H ASP B 45 5.503 5.247 -9.872 1.00 62.05 H new ATOM 0 HA ASP B 45 3.353 7.076 -9.751 1.00 3.13 H new ATOM 0 HB2 ASP B 45 4.902 7.035 -11.630 1.00 3.14 H new ATOM 0 HB3 ASP B 45 4.461 5.383 -12.014 1.00 3.14 H new ATOM 2551 N TYR B 46 1.272 5.861 -10.148 1.00 11.04 N ATOM 2552 CA TYR B 46 -0.009 5.211 -10.157 1.00 24.41 C ATOM 2553 C TYR B 46 -0.080 4.321 -11.402 1.00 30.21 C ATOM 2554 O TYR B 46 -0.427 4.774 -12.501 1.00 33.02 O ATOM 2555 CB TYR B 46 -1.094 6.303 -10.163 1.00 54.33 C ATOM 2556 CG TYR B 46 -2.540 5.851 -10.113 1.00 1.32 C ATOM 2557 CD1 TYR B 46 -3.169 5.607 -8.904 1.00 44.53 C ATOM 2558 CD2 TYR B 46 -3.285 5.725 -11.277 1.00 64.13 C ATOM 2559 CE1 TYR B 46 -4.503 5.249 -8.854 1.00 21.13 C ATOM 2560 CE2 TYR B 46 -4.610 5.358 -11.241 1.00 23.11 C ATOM 2561 CZ TYR B 46 -5.218 5.125 -10.031 1.00 72.15 C ATOM 2562 OH TYR B 46 -6.549 4.792 -9.993 1.00 23.42 O ATOM 0 H TYR B 46 1.209 6.878 -10.194 1.00 11.04 H new ATOM 0 HA TYR B 46 -0.161 4.582 -9.280 1.00 24.41 H new ATOM 0 HB2 TYR B 46 -0.917 6.959 -9.310 1.00 54.33 H new ATOM 0 HB3 TYR B 46 -0.960 6.905 -11.062 1.00 54.33 H new ATOM 0 HD1 TYR B 46 -2.608 5.698 -7.985 1.00 44.53 H new ATOM 0 HD2 TYR B 46 -2.815 5.919 -12.230 1.00 64.13 H new ATOM 0 HE1 TYR B 46 -4.983 5.068 -7.904 1.00 21.13 H new ATOM 0 HE2 TYR B 46 -5.170 5.254 -12.159 1.00 23.11 H new ATOM 0 HH TYR B 46 -6.901 4.747 -10.906 1.00 23.42 H new ATOM 2572 N GLY B 47 0.345 3.088 -11.237 1.00 61.32 N ATOM 2573 CA GLY B 47 0.416 2.175 -12.330 1.00 53.43 C ATOM 2574 C GLY B 47 1.400 1.047 -12.082 1.00 2.33 C ATOM 2575 O GLY B 47 1.343 0.029 -12.770 1.00 55.14 O ATOM 0 H GLY B 47 0.647 2.702 -10.342 1.00 61.32 H new ATOM 0 HA2 GLY B 47 -0.573 1.756 -12.514 1.00 53.43 H new ATOM 0 HA3 GLY B 47 0.706 2.714 -13.232 1.00 53.43 H new ATOM 2579 N SER B 48 2.304 1.202 -11.099 1.00 4.51 N ATOM 2580 CA SER B 48 3.215 0.117 -10.783 1.00 1.13 C ATOM 2581 C SER B 48 2.440 -1.005 -10.075 1.00 10.43 C ATOM 2582 O SER B 48 1.438 -0.739 -9.387 1.00 43.31 O ATOM 2583 CB SER B 48 4.367 0.614 -9.927 1.00 41.11 C ATOM 2584 OG SER B 48 5.127 1.595 -10.625 1.00 64.31 O ATOM 0 H SER B 48 2.414 2.043 -10.533 1.00 4.51 H new ATOM 0 HA SER B 48 3.642 -0.277 -11.705 1.00 1.13 H new ATOM 0 HB2 SER B 48 3.981 1.038 -9.000 1.00 41.11 H new ATOM 0 HB3 SER B 48 5.009 -0.223 -9.652 1.00 41.11 H new ATOM 0 HG SER B 48 5.112 2.437 -10.124 1.00 64.31 H new ATOM 2590 N THR B 49 2.856 -2.235 -10.267 1.00 63.53 N ATOM 2591 CA THR B 49 2.148 -3.351 -9.690 1.00 5.22 C ATOM 2592 C THR B 49 2.829 -3.841 -8.414 1.00 3.10 C ATOM 2593 O THR B 49 4.001 -3.542 -8.180 1.00 74.20 O ATOM 2594 CB THR B 49 2.064 -4.522 -10.692 1.00 1.25 C ATOM 2595 OG1 THR B 49 3.377 -5.029 -10.958 1.00 74.04 O ATOM 2596 CG2 THR B 49 1.462 -4.052 -12.000 1.00 15.11 C ATOM 0 H THR B 49 3.678 -2.487 -10.816 1.00 63.53 H new ATOM 0 HA THR B 49 1.144 -3.003 -9.447 1.00 5.22 H new ATOM 0 HB THR B 49 1.439 -5.301 -10.256 1.00 1.25 H new ATOM 0 HG1 THR B 49 3.333 -6.000 -11.086 1.00 74.04 H new ATOM 0 HG21 THR B 49 1.409 -4.888 -12.697 1.00 15.11 H new ATOM 0 HG22 THR B 49 0.459 -3.665 -11.821 1.00 15.11 H new ATOM 0 HG23 THR B 49 2.084 -3.264 -12.425 1.00 15.11 H new ATOM 2604 N ALA B 50 2.096 -4.610 -7.603 1.00 74.54 N ATOM 2605 CA ALA B 50 2.623 -5.180 -6.368 1.00 50.31 C ATOM 2606 C ALA B 50 3.727 -6.175 -6.685 1.00 1.15 C ATOM 2607 O ALA B 50 4.778 -6.157 -6.071 1.00 11.25 O ATOM 2608 CB ALA B 50 1.487 -5.875 -5.626 1.00 71.34 C ATOM 0 H ALA B 50 1.122 -4.852 -7.787 1.00 74.54 H new ATOM 0 HA ALA B 50 3.040 -4.390 -5.744 1.00 50.31 H new ATOM 0 HB1 ALA B 50 1.867 -6.306 -4.700 1.00 71.34 H new ATOM 0 HB2 ALA B 50 0.706 -5.150 -5.395 1.00 71.34 H new ATOM 0 HB3 ALA B 50 1.074 -6.666 -6.252 1.00 71.34 H new ATOM 2614 N GLN B 51 3.469 -7.023 -7.664 1.00 72.40 N ATOM 2615 CA GLN B 51 4.429 -8.024 -8.129 1.00 71.44 C ATOM 2616 C GLN B 51 5.731 -7.344 -8.563 1.00 43.35 C ATOM 2617 O GLN B 51 6.810 -7.744 -8.115 1.00 25.14 O ATOM 2618 CB GLN B 51 3.766 -8.801 -9.312 1.00 23.21 C ATOM 2619 CG GLN B 51 4.547 -9.969 -9.992 1.00 24.31 C ATOM 2620 CD GLN B 51 5.848 -9.577 -10.674 1.00 12.30 C ATOM 2621 OE1 GLN B 51 6.899 -9.670 -10.101 1.00 34.43 O ATOM 2622 NE2 GLN B 51 5.773 -9.078 -11.846 1.00 60.34 N ATOM 0 H GLN B 51 2.582 -7.042 -8.167 1.00 72.40 H new ATOM 0 HA GLN B 51 4.684 -8.721 -7.331 1.00 71.44 H new ATOM 0 HB2 GLN B 51 2.821 -9.206 -8.949 1.00 23.21 H new ATOM 0 HB3 GLN B 51 3.524 -8.074 -10.087 1.00 23.21 H new ATOM 0 HG2 GLN B 51 4.766 -10.724 -9.237 1.00 24.31 H new ATOM 0 HG3 GLN B 51 3.896 -10.436 -10.731 1.00 24.31 H new ATOM 0 HE21 GLN B 51 4.869 -9.009 -12.314 1.00 60.34 H new ATOM 0 HE22 GLN B 51 6.617 -8.748 -12.315 1.00 60.34 H new ATOM 2631 N ASP B 52 5.627 -6.315 -9.398 1.00 73.51 N ATOM 2632 CA ASP B 52 6.822 -5.630 -9.913 1.00 72.23 C ATOM 2633 C ASP B 52 7.628 -5.019 -8.772 1.00 13.11 C ATOM 2634 O ASP B 52 8.867 -5.102 -8.747 1.00 11.34 O ATOM 2635 CB ASP B 52 6.458 -4.567 -10.945 1.00 40.43 C ATOM 2636 CG ASP B 52 7.672 -3.979 -11.624 1.00 32.01 C ATOM 2637 OD1 ASP B 52 8.244 -4.651 -12.517 1.00 63.53 O ATOM 2638 OD2 ASP B 52 8.069 -2.857 -11.308 1.00 61.11 O ATOM 0 H ASP B 52 4.741 -5.936 -9.733 1.00 73.51 H new ATOM 0 HA ASP B 52 7.440 -6.377 -10.412 1.00 72.23 H new ATOM 0 HB2 ASP B 52 5.802 -5.005 -11.697 1.00 40.43 H new ATOM 0 HB3 ASP B 52 5.897 -3.770 -10.458 1.00 40.43 H new ATOM 2643 N LEU B 53 6.921 -4.447 -7.819 1.00 52.32 N ATOM 2644 CA LEU B 53 7.528 -3.869 -6.633 1.00 62.12 C ATOM 2645 C LEU B 53 8.191 -4.920 -5.769 1.00 10.32 C ATOM 2646 O LEU B 53 9.348 -4.753 -5.353 1.00 13.43 O ATOM 2647 CB LEU B 53 6.464 -3.120 -5.829 1.00 22.15 C ATOM 2648 CG LEU B 53 6.055 -1.772 -6.382 1.00 1.20 C ATOM 2649 CD1 LEU B 53 4.781 -1.295 -5.702 1.00 3.22 C ATOM 2650 CD2 LEU B 53 7.181 -0.786 -6.113 1.00 34.43 C ATOM 0 H LEU B 53 5.904 -4.369 -7.844 1.00 52.32 H new ATOM 0 HA LEU B 53 8.305 -3.176 -6.955 1.00 62.12 H new ATOM 0 HB2 LEU B 53 5.576 -3.749 -5.760 1.00 22.15 H new ATOM 0 HB3 LEU B 53 6.834 -2.979 -4.813 1.00 22.15 H new ATOM 0 HG LEU B 53 5.868 -1.849 -7.453 1.00 1.20 H new ATOM 0 HD11 LEU B 53 4.494 -0.324 -6.106 1.00 3.22 H new ATOM 0 HD12 LEU B 53 3.981 -2.014 -5.882 1.00 3.22 H new ATOM 0 HD13 LEU B 53 4.953 -1.205 -4.629 1.00 3.22 H new ATOM 0 HD21 LEU B 53 6.908 0.194 -6.504 1.00 34.43 H new ATOM 0 HD22 LEU B 53 7.352 -0.714 -5.039 1.00 34.43 H new ATOM 0 HD23 LEU B 53 8.091 -1.131 -6.603 1.00 34.43 H new ATOM 2662 N GLU B 54 7.482 -6.005 -5.516 1.00 61.30 N ATOM 2663 CA GLU B 54 7.971 -7.077 -4.682 1.00 34.44 C ATOM 2664 C GLU B 54 9.199 -7.721 -5.298 1.00 13.43 C ATOM 2665 O GLU B 54 10.199 -7.844 -4.647 1.00 41.20 O ATOM 2666 CB GLU B 54 6.798 -8.064 -4.471 1.00 12.22 C ATOM 2667 CG GLU B 54 6.975 -9.186 -3.433 1.00 51.52 C ATOM 2668 CD GLU B 54 7.724 -10.408 -3.918 1.00 74.03 C ATOM 2669 OE1 GLU B 54 8.924 -10.410 -3.970 1.00 71.43 O ATOM 2670 OE2 GLU B 54 7.069 -11.421 -4.229 1.00 70.31 O ATOM 0 H GLU B 54 6.546 -6.164 -5.888 1.00 61.30 H new ATOM 0 HA GLU B 54 8.301 -6.710 -3.710 1.00 34.44 H new ATOM 0 HB2 GLU B 54 5.920 -7.483 -4.188 1.00 12.22 H new ATOM 0 HB3 GLU B 54 6.577 -8.530 -5.431 1.00 12.22 H new ATOM 0 HG2 GLU B 54 7.500 -8.779 -2.569 1.00 51.52 H new ATOM 0 HG3 GLU B 54 5.989 -9.498 -3.089 1.00 51.52 H new ATOM 2677 N ALA B 55 9.133 -8.057 -6.574 1.00 64.31 N ATOM 2678 CA ALA B 55 10.282 -8.651 -7.275 1.00 25.41 C ATOM 2679 C ALA B 55 11.508 -7.745 -7.174 1.00 71.30 C ATOM 2680 O ALA B 55 12.629 -8.215 -6.908 1.00 34.44 O ATOM 2681 CB ALA B 55 9.934 -8.889 -8.731 1.00 61.30 C ATOM 0 H ALA B 55 8.303 -7.933 -7.154 1.00 64.31 H new ATOM 0 HA ALA B 55 10.518 -9.604 -6.801 1.00 25.41 H new ATOM 0 HB1 ALA B 55 10.790 -9.329 -9.243 1.00 61.30 H new ATOM 0 HB2 ALA B 55 9.084 -9.569 -8.796 1.00 61.30 H new ATOM 0 HB3 ALA B 55 9.677 -7.941 -9.203 1.00 61.30 H new ATOM 2687 N HIS B 56 11.283 -6.455 -7.317 1.00 75.43 N ATOM 2688 CA HIS B 56 12.381 -5.495 -7.310 1.00 33.01 C ATOM 2689 C HIS B 56 13.010 -5.425 -5.920 1.00 3.54 C ATOM 2690 O HIS B 56 14.218 -5.303 -5.779 1.00 0.44 O ATOM 2691 CB HIS B 56 11.906 -4.106 -7.779 1.00 33.53 C ATOM 2692 CG HIS B 56 13.009 -3.090 -7.935 1.00 24.30 C ATOM 2693 ND1 HIS B 56 13.637 -2.842 -9.132 1.00 34.43 N ATOM 2694 CD2 HIS B 56 13.577 -2.245 -7.042 1.00 61.22 C ATOM 2695 CE1 HIS B 56 14.534 -1.899 -8.973 1.00 24.00 C ATOM 2696 NE2 HIS B 56 14.516 -1.522 -7.717 1.00 65.05 N ATOM 0 H HIS B 56 10.358 -6.043 -7.439 1.00 75.43 H new ATOM 0 HA HIS B 56 13.141 -5.833 -8.014 1.00 33.01 H new ATOM 0 HB2 HIS B 56 11.391 -4.215 -8.734 1.00 33.53 H new ATOM 0 HB3 HIS B 56 11.176 -3.725 -7.065 1.00 33.53 H new ATOM 0 HD2 HIS B 56 13.333 -2.160 -5.993 1.00 61.22 H new ATOM 0 HE1 HIS B 56 15.177 -1.501 -9.744 1.00 24.00 H new ATOM 0 HE2 HIS B 56 15.111 -0.801 -7.309 1.00 65.05 H new ATOM 2705 N PHE B 57 12.186 -5.514 -4.907 1.00 51.10 N ATOM 2706 CA PHE B 57 12.652 -5.497 -3.540 1.00 0.00 C ATOM 2707 C PHE B 57 13.141 -6.843 -3.056 1.00 61.31 C ATOM 2708 O PHE B 57 13.927 -6.926 -2.123 1.00 21.13 O ATOM 2709 CB PHE B 57 11.683 -4.836 -2.584 1.00 42.04 C ATOM 2710 CG PHE B 57 11.787 -3.351 -2.629 1.00 1.43 C ATOM 2711 CD1 PHE B 57 12.733 -2.730 -1.857 1.00 53.31 C ATOM 2712 CD2 PHE B 57 10.972 -2.577 -3.432 1.00 34.43 C ATOM 2713 CE1 PHE B 57 12.877 -1.367 -1.867 1.00 63.51 C ATOM 2714 CE2 PHE B 57 11.115 -1.200 -3.445 1.00 14.03 C ATOM 2715 CZ PHE B 57 12.069 -0.604 -2.660 1.00 53.30 C ATOM 0 H PHE B 57 11.174 -5.600 -5.004 1.00 51.10 H new ATOM 0 HA PHE B 57 13.533 -4.856 -3.548 1.00 0.00 H new ATOM 0 HB2 PHE B 57 10.665 -5.137 -2.833 1.00 42.04 H new ATOM 0 HB3 PHE B 57 11.879 -5.183 -1.570 1.00 42.04 H new ATOM 0 HD1 PHE B 57 13.378 -3.326 -1.228 1.00 53.31 H new ATOM 0 HD2 PHE B 57 10.222 -3.047 -4.051 1.00 34.43 H new ATOM 0 HE1 PHE B 57 13.628 -0.898 -1.249 1.00 63.51 H new ATOM 0 HE2 PHE B 57 10.476 -0.596 -4.072 1.00 14.03 H new ATOM 0 HZ PHE B 57 12.181 0.470 -2.669 1.00 53.30 H new ATOM 2725 N SER B 58 12.687 -7.884 -3.710 1.00 74.51 N ATOM 2726 CA SER B 58 13.029 -9.236 -3.349 1.00 25.02 C ATOM 2727 C SER B 58 14.477 -9.509 -3.717 1.00 44.52 C ATOM 2728 O SER B 58 15.126 -10.390 -3.147 1.00 2.13 O ATOM 2729 CB SER B 58 12.088 -10.264 -3.996 1.00 41.55 C ATOM 2730 OG SER B 58 12.364 -11.587 -3.516 1.00 75.44 O ATOM 0 H SER B 58 12.064 -7.815 -4.515 1.00 74.51 H new ATOM 0 HA SER B 58 12.907 -9.342 -2.271 1.00 25.02 H new ATOM 0 HB2 SER B 58 11.053 -10.003 -3.777 1.00 41.55 H new ATOM 0 HB3 SER B 58 12.202 -10.235 -5.080 1.00 41.55 H new ATOM 0 HG SER B 58 12.848 -11.532 -2.666 1.00 75.44 H new ATOM 2736 N SER B 59 14.996 -8.766 -4.683 1.00 2.43 N ATOM 2737 CA SER B 59 16.401 -8.846 -4.995 1.00 64.21 C ATOM 2738 C SER B 59 17.236 -8.397 -3.772 1.00 4.44 C ATOM 2739 O SER B 59 18.373 -8.813 -3.592 1.00 14.31 O ATOM 2740 CB SER B 59 16.701 -7.958 -6.195 1.00 34.43 C ATOM 2741 OG SER B 59 15.877 -8.318 -7.297 1.00 4.00 O ATOM 0 H SER B 59 14.465 -8.109 -5.255 1.00 2.43 H new ATOM 0 HA SER B 59 16.665 -9.875 -5.237 1.00 64.21 H new ATOM 0 HB2 SER B 59 16.533 -6.913 -5.933 1.00 34.43 H new ATOM 0 HB3 SER B 59 17.751 -8.052 -6.472 1.00 34.43 H new ATOM 0 HG SER B 59 16.080 -7.738 -8.060 1.00 4.00 H new ATOM 2747 N CYS B 60 16.645 -7.557 -2.936 1.00 72.40 N ATOM 2748 CA CYS B 60 17.298 -7.074 -1.742 1.00 22.34 C ATOM 2749 C CYS B 60 16.655 -7.661 -0.475 1.00 72.32 C ATOM 2750 O CYS B 60 16.914 -7.188 0.630 1.00 4.11 O ATOM 2751 CB CYS B 60 17.211 -5.549 -1.705 1.00 62.20 C ATOM 2752 SG CYS B 60 17.921 -4.736 -3.154 1.00 63.43 S ATOM 0 H CYS B 60 15.701 -7.195 -3.071 1.00 72.40 H new ATOM 0 HA CYS B 60 18.341 -7.391 -1.766 1.00 22.34 H new ATOM 0 HB2 CYS B 60 16.165 -5.257 -1.614 1.00 62.20 H new ATOM 0 HB3 CYS B 60 17.721 -5.188 -0.812 1.00 62.20 H new ATOM 0 HG CYS B 60 17.798 -3.448 -3.032 1.00 63.43 H new ATOM 2758 N GLY B 61 15.862 -8.708 -0.618 1.00 4.33 N ATOM 2759 CA GLY B 61 15.214 -9.242 0.558 1.00 53.11 C ATOM 2760 C GLY B 61 14.202 -10.325 0.296 1.00 31.31 C ATOM 2761 O GLY B 61 13.884 -10.637 -0.835 1.00 24.41 O ATOM 0 H GLY B 61 15.659 -9.185 -1.496 1.00 4.33 H new ATOM 0 HA2 GLY B 61 15.979 -9.636 1.227 1.00 53.11 H new ATOM 0 HA3 GLY B 61 14.720 -8.425 1.084 1.00 53.11 H new ATOM 2765 N SER B 62 13.707 -10.898 1.346 1.00 4.54 N ATOM 2766 CA SER B 62 12.715 -11.925 1.262 1.00 1.23 C ATOM 2767 C SER B 62 11.341 -11.358 0.870 1.00 13.23 C ATOM 2768 O SER B 62 10.832 -11.621 -0.227 1.00 5.51 O ATOM 2769 CB SER B 62 12.674 -12.666 2.601 1.00 60.03 C ATOM 2770 OG SER B 62 12.660 -11.738 3.701 1.00 41.34 O ATOM 0 H SER B 62 13.983 -10.664 2.300 1.00 4.54 H new ATOM 0 HA SER B 62 12.980 -12.627 0.472 1.00 1.23 H new ATOM 0 HB2 SER B 62 11.788 -13.300 2.643 1.00 60.03 H new ATOM 0 HB3 SER B 62 13.540 -13.322 2.685 1.00 60.03 H new ATOM 0 HG SER B 62 13.459 -11.872 4.253 1.00 41.34 H new ATOM 2776 N ILE B 63 10.767 -10.619 1.793 1.00 23.04 N ATOM 2777 CA ILE B 63 9.492 -9.912 1.695 1.00 63.11 C ATOM 2778 C ILE B 63 8.394 -10.636 2.422 1.00 15.42 C ATOM 2779 O ILE B 63 7.995 -11.747 2.070 1.00 64.43 O ATOM 2780 CB ILE B 63 9.052 -9.364 0.301 1.00 11.02 C ATOM 2781 CG1 ILE B 63 10.072 -8.336 -0.197 1.00 54.43 C ATOM 2782 CG2 ILE B 63 7.660 -8.729 0.404 1.00 35.34 C ATOM 2783 CD1 ILE B 63 9.725 -7.714 -1.519 1.00 53.51 C ATOM 0 H ILE B 63 11.206 -10.481 2.703 1.00 23.04 H new ATOM 0 HA ILE B 63 9.705 -8.978 2.215 1.00 63.11 H new ATOM 0 HB ILE B 63 9.007 -10.188 -0.411 1.00 11.02 H new ATOM 0 HG12 ILE B 63 10.169 -7.547 0.549 1.00 54.43 H new ATOM 0 HG13 ILE B 63 11.046 -8.818 -0.280 1.00 54.43 H new ATOM 0 HG21 ILE B 63 7.360 -8.349 -0.573 1.00 35.34 H new ATOM 0 HG22 ILE B 63 6.942 -9.478 0.738 1.00 35.34 H new ATOM 0 HG23 ILE B 63 7.687 -7.908 1.120 1.00 35.34 H new ATOM 0 HD11 ILE B 63 10.498 -6.998 -1.799 1.00 53.51 H new ATOM 0 HD12 ILE B 63 9.657 -8.491 -2.280 1.00 53.51 H new ATOM 0 HD13 ILE B 63 8.767 -7.200 -1.439 1.00 53.51 H new ATOM 2795 N ASN B 64 7.951 -9.998 3.464 1.00 43.23 N ATOM 2796 CA ASN B 64 6.945 -10.501 4.355 1.00 22.34 C ATOM 2797 C ASN B 64 5.581 -10.060 3.878 1.00 23.24 C ATOM 2798 O ASN B 64 4.675 -10.879 3.696 1.00 72.35 O ATOM 2799 CB ASN B 64 7.264 -9.975 5.773 1.00 10.15 C ATOM 2800 CG ASN B 64 6.262 -10.333 6.844 1.00 13.52 C ATOM 2801 OD1 ASN B 64 5.542 -11.294 6.743 1.00 11.03 O ATOM 2802 ND2 ASN B 64 6.285 -9.595 7.916 1.00 10.33 N ATOM 0 H ASN B 64 8.294 -9.075 3.728 1.00 43.23 H new ATOM 0 HA ASN B 64 6.940 -11.591 4.376 1.00 22.34 H new ATOM 0 HB2 ASN B 64 8.240 -10.358 6.072 1.00 10.15 H new ATOM 0 HB3 ASN B 64 7.348 -8.889 5.728 1.00 10.15 H new ATOM 0 HD21 ASN B 64 5.681 -9.823 8.705 1.00 10.33 H new ATOM 0 HD22 ASN B 64 6.907 -8.789 7.967 1.00 10.33 H new ATOM 2809 N ARG B 65 5.461 -8.774 3.611 1.00 13.52 N ATOM 2810 CA ARG B 65 4.211 -8.172 3.164 1.00 22.43 C ATOM 2811 C ARG B 65 4.577 -6.932 2.384 1.00 74.23 C ATOM 2812 O ARG B 65 5.696 -6.467 2.483 1.00 65.21 O ATOM 2813 CB ARG B 65 3.297 -7.749 4.364 1.00 53.14 C ATOM 2814 CG ARG B 65 3.114 -8.799 5.466 1.00 3.43 C ATOM 2815 CD ARG B 65 2.147 -8.347 6.553 1.00 21.40 C ATOM 2816 NE ARG B 65 0.740 -8.347 6.109 1.00 41.00 N ATOM 2817 CZ ARG B 65 -0.277 -7.771 6.786 1.00 4.45 C ATOM 2818 NH1 ARG B 65 -0.028 -6.966 7.819 1.00 12.04 N ATOM 2819 NH2 ARG B 65 -1.524 -7.976 6.403 1.00 33.33 N ATOM 0 H ARG B 65 6.230 -8.110 3.697 1.00 13.52 H new ATOM 0 HA ARG B 65 3.658 -8.898 2.569 1.00 22.43 H new ATOM 0 HB2 ARG B 65 3.713 -6.847 4.813 1.00 53.14 H new ATOM 0 HB3 ARG B 65 2.314 -7.486 3.973 1.00 53.14 H new ATOM 0 HG2 ARG B 65 2.749 -9.725 5.023 1.00 3.43 H new ATOM 0 HG3 ARG B 65 4.082 -9.021 5.916 1.00 3.43 H new ATOM 0 HD2 ARG B 65 2.249 -9.002 7.418 1.00 21.40 H new ATOM 0 HD3 ARG B 65 2.419 -7.343 6.879 1.00 21.40 H new ATOM 0 HE ARG B 65 0.520 -8.815 5.230 1.00 41.00 H new ATOM 0 HH11 ARG B 65 0.935 -6.782 8.102 1.00 12.04 H new ATOM 0 HH12 ARG B 65 -0.800 -6.534 8.326 1.00 12.04 H new ATOM 0 HH21 ARG B 65 -1.719 -8.569 5.596 1.00 33.33 H new ATOM 0 HH22 ARG B 65 -2.292 -7.541 6.914 1.00 33.33 H new ATOM 2833 N ILE B 66 3.671 -6.422 1.610 1.00 51.02 N ATOM 2834 CA ILE B 66 3.870 -5.149 0.956 1.00 33.23 C ATOM 2835 C ILE B 66 2.543 -4.468 0.932 1.00 21.53 C ATOM 2836 O ILE B 66 1.520 -5.122 0.752 1.00 2.34 O ATOM 2837 CB ILE B 66 4.476 -5.165 -0.513 1.00 74.43 C ATOM 2838 CG1 ILE B 66 3.520 -5.697 -1.565 1.00 51.22 C ATOM 2839 CG2 ILE B 66 5.777 -5.933 -0.589 1.00 4.04 C ATOM 2840 CD1 ILE B 66 4.082 -5.571 -2.970 1.00 64.51 C ATOM 0 H ILE B 66 2.775 -6.866 1.409 1.00 51.02 H new ATOM 0 HA ILE B 66 4.636 -4.633 1.535 1.00 33.23 H new ATOM 0 HB ILE B 66 4.663 -4.115 -0.737 1.00 74.43 H new ATOM 0 HG12 ILE B 66 3.300 -6.744 -1.357 1.00 51.22 H new ATOM 0 HG13 ILE B 66 2.577 -5.154 -1.503 1.00 51.22 H new ATOM 0 HG21 ILE B 66 6.151 -5.915 -1.613 1.00 4.04 H new ATOM 0 HG22 ILE B 66 6.510 -5.473 0.073 1.00 4.04 H new ATOM 0 HG23 ILE B 66 5.609 -6.965 -0.282 1.00 4.04 H new ATOM 0 HD11 ILE B 66 3.361 -5.965 -3.687 1.00 64.51 H new ATOM 0 HD12 ILE B 66 4.277 -4.522 -3.191 1.00 64.51 H new ATOM 0 HD13 ILE B 66 5.011 -6.136 -3.042 1.00 64.51 H new ATOM 2852 N THR B 67 2.550 -3.212 1.120 1.00 44.11 N ATOM 2853 CA THR B 67 1.352 -2.445 1.171 1.00 15.40 C ATOM 2854 C THR B 67 1.469 -1.333 0.151 1.00 21.40 C ATOM 2855 O THR B 67 2.423 -0.573 0.181 1.00 62.20 O ATOM 2856 CB THR B 67 1.182 -1.847 2.585 1.00 4.31 C ATOM 2857 OG1 THR B 67 1.262 -2.903 3.567 1.00 74.43 O ATOM 2858 CG2 THR B 67 -0.166 -1.153 2.721 1.00 61.32 C ATOM 0 H THR B 67 3.401 -2.664 1.247 1.00 44.11 H new ATOM 0 HA THR B 67 0.486 -3.069 0.951 1.00 15.40 H new ATOM 0 HB THR B 67 1.975 -1.117 2.746 1.00 4.31 H new ATOM 0 HG1 THR B 67 2.199 -3.052 3.812 1.00 74.43 H new ATOM 0 HG21 THR B 67 -0.263 -0.740 3.725 1.00 61.32 H new ATOM 0 HG22 THR B 67 -0.236 -0.348 1.989 1.00 61.32 H new ATOM 0 HG23 THR B 67 -0.965 -1.873 2.546 1.00 61.32 H new ATOM 2866 N ILE B 68 0.531 -1.229 -0.742 1.00 33.13 N ATOM 2867 CA ILE B 68 0.590 -0.201 -1.744 1.00 70.42 C ATOM 2868 C ILE B 68 -0.678 0.591 -1.606 1.00 54.34 C ATOM 2869 O ILE B 68 -1.760 0.040 -1.765 1.00 2.14 O ATOM 2870 CB ILE B 68 0.648 -0.727 -3.228 1.00 33.41 C ATOM 2871 CG1 ILE B 68 1.647 -1.879 -3.464 1.00 3.14 C ATOM 2872 CG2 ILE B 68 0.973 0.413 -4.183 1.00 50.21 C ATOM 2873 CD1 ILE B 68 1.147 -3.226 -3.014 1.00 1.31 C ATOM 0 H ILE B 68 -0.283 -1.840 -0.800 1.00 33.13 H new ATOM 0 HA ILE B 68 1.508 0.363 -1.579 1.00 70.42 H new ATOM 0 HB ILE B 68 -0.345 -1.132 -3.423 1.00 33.41 H new ATOM 0 HG12 ILE B 68 1.885 -1.928 -4.527 1.00 3.14 H new ATOM 0 HG13 ILE B 68 2.576 -1.654 -2.939 1.00 3.14 H new ATOM 0 HG21 ILE B 68 1.009 0.033 -5.204 1.00 50.21 H new ATOM 0 HG22 ILE B 68 0.203 1.181 -4.109 1.00 50.21 H new ATOM 0 HG23 ILE B 68 1.940 0.843 -3.921 1.00 50.21 H new ATOM 0 HD11 ILE B 68 1.907 -3.982 -3.214 1.00 1.31 H new ATOM 0 HD12 ILE B 68 0.937 -3.197 -1.945 1.00 1.31 H new ATOM 0 HD13 ILE B 68 0.235 -3.476 -3.557 1.00 1.31 H new ATOM 2885 N LEU B 69 -0.567 1.829 -1.262 1.00 62.34 N ATOM 2886 CA LEU B 69 -1.737 2.659 -1.117 1.00 2.33 C ATOM 2887 C LEU B 69 -1.696 3.856 -2.029 1.00 31.21 C ATOM 2888 O LEU B 69 -0.697 4.575 -2.089 1.00 23.53 O ATOM 2889 CB LEU B 69 -2.135 3.007 0.351 1.00 53.40 C ATOM 2890 CG LEU B 69 -1.084 3.621 1.286 1.00 12.21 C ATOM 2891 CD1 LEU B 69 -1.757 4.107 2.559 1.00 61.23 C ATOM 2892 CD2 LEU B 69 -0.029 2.593 1.660 1.00 64.45 C ATOM 0 H LEU B 69 0.319 2.299 -1.073 1.00 62.34 H new ATOM 0 HA LEU B 69 -2.564 2.032 -1.449 1.00 2.33 H new ATOM 0 HB2 LEU B 69 -2.978 3.696 0.308 1.00 53.40 H new ATOM 0 HB3 LEU B 69 -2.496 2.091 0.819 1.00 53.40 H new ATOM 0 HG LEU B 69 -0.608 4.452 0.765 1.00 12.21 H new ATOM 0 HD11 LEU B 69 -1.010 4.543 3.222 1.00 61.23 H new ATOM 0 HD12 LEU B 69 -2.505 4.860 2.311 1.00 61.23 H new ATOM 0 HD13 LEU B 69 -2.240 3.267 3.059 1.00 61.23 H new ATOM 0 HD21 LEU B 69 0.706 3.050 2.323 1.00 64.45 H new ATOM 0 HD22 LEU B 69 -0.503 1.753 2.168 1.00 64.45 H new ATOM 0 HD23 LEU B 69 0.468 2.237 0.758 1.00 64.45 H new ATOM 2904 N CYS B 70 -2.748 4.046 -2.760 1.00 23.01 N ATOM 2905 CA CYS B 70 -2.853 5.136 -3.686 1.00 12.10 C ATOM 2906 C CYS B 70 -3.994 6.032 -3.252 1.00 35.42 C ATOM 2907 O CYS B 70 -5.071 5.526 -2.910 1.00 73.22 O ATOM 2908 CB CYS B 70 -3.123 4.583 -5.088 1.00 23.22 C ATOM 2909 SG CYS B 70 -1.847 3.449 -5.691 1.00 73.21 S ATOM 0 H CYS B 70 -3.570 3.443 -2.733 1.00 23.01 H new ATOM 0 HA CYS B 70 -1.926 5.709 -3.704 1.00 12.10 H new ATOM 0 HB2 CYS B 70 -4.082 4.065 -5.085 1.00 23.22 H new ATOM 0 HB3 CYS B 70 -3.213 5.416 -5.785 1.00 23.22 H new ATOM 0 HG CYS B 70 -2.164 3.033 -6.881 1.00 73.21 H new ATOM 2915 N ASP B 71 -3.788 7.336 -3.227 1.00 71.24 N ATOM 2916 CA ASP B 71 -4.869 8.217 -2.832 1.00 14.30 C ATOM 2917 C ASP B 71 -5.239 9.131 -3.962 1.00 33.25 C ATOM 2918 O ASP B 71 -4.370 9.667 -4.641 1.00 21.14 O ATOM 2919 CB ASP B 71 -4.543 9.009 -1.552 1.00 2.15 C ATOM 2920 CG ASP B 71 -3.385 9.971 -1.685 1.00 42.34 C ATOM 2921 OD1 ASP B 71 -3.596 11.105 -2.111 1.00 34.13 O ATOM 2922 OD2 ASP B 71 -2.267 9.603 -1.348 1.00 2.14 O ATOM 0 H ASP B 71 -2.910 7.797 -3.468 1.00 71.24 H new ATOM 0 HA ASP B 71 -5.730 7.592 -2.596 1.00 14.30 H new ATOM 0 HB2 ASP B 71 -5.429 9.567 -1.250 1.00 2.15 H new ATOM 0 HB3 ASP B 71 -4.322 8.304 -0.751 1.00 2.15 H new ATOM 2927 N LYS B 72 -6.528 9.273 -4.205 1.00 33.10 N ATOM 2928 CA LYS B 72 -7.011 10.115 -5.285 1.00 12.11 C ATOM 2929 C LYS B 72 -7.990 11.165 -4.734 1.00 63.30 C ATOM 2930 O LYS B 72 -8.589 11.931 -5.486 1.00 0.33 O ATOM 2931 CB LYS B 72 -7.704 9.230 -6.363 1.00 13.05 C ATOM 2932 CG LYS B 72 -8.114 9.967 -7.643 1.00 64.15 C ATOM 2933 CD LYS B 72 -8.885 9.082 -8.640 1.00 21.05 C ATOM 2934 CE LYS B 72 -8.051 7.919 -9.159 1.00 31.42 C ATOM 2935 NZ LYS B 72 -8.745 7.161 -10.219 1.00 54.03 N ATOM 0 H LYS B 72 -7.263 8.814 -3.667 1.00 33.10 H new ATOM 0 HA LYS B 72 -6.171 10.637 -5.744 1.00 12.11 H new ATOM 0 HB2 LYS B 72 -7.030 8.416 -6.631 1.00 13.05 H new ATOM 0 HB3 LYS B 72 -8.592 8.777 -5.923 1.00 13.05 H new ATOM 0 HG2 LYS B 72 -8.732 10.825 -7.377 1.00 64.15 H new ATOM 0 HG3 LYS B 72 -7.221 10.357 -8.131 1.00 64.15 H new ATOM 0 HD2 LYS B 72 -9.782 8.694 -8.157 1.00 21.05 H new ATOM 0 HD3 LYS B 72 -9.215 9.692 -9.481 1.00 21.05 H new ATOM 0 HE2 LYS B 72 -7.105 8.297 -9.546 1.00 31.42 H new ATOM 0 HE3 LYS B 72 -7.812 7.249 -8.333 1.00 31.42 H new ATOM 0 HZ1 LYS B 72 -8.201 6.304 -10.446 1.00 54.03 H new ATOM 0 HZ2 LYS B 72 -9.694 6.892 -9.889 1.00 54.03 H new ATOM 0 HZ3 LYS B 72 -8.829 7.752 -11.070 1.00 54.03 H new ATOM 2949 N PHE B 73 -8.131 11.213 -3.406 1.00 72.05 N ATOM 2950 CA PHE B 73 -9.080 12.137 -2.770 1.00 60.11 C ATOM 2951 C PHE B 73 -8.782 13.609 -3.072 1.00 44.25 C ATOM 2952 O PHE B 73 -9.680 14.443 -3.054 1.00 32.40 O ATOM 2953 CB PHE B 73 -9.206 11.898 -1.248 1.00 32.12 C ATOM 2954 CG PHE B 73 -7.962 12.144 -0.425 1.00 22.22 C ATOM 2955 CD1 PHE B 73 -7.054 11.132 -0.195 1.00 52.33 C ATOM 2956 CD2 PHE B 73 -7.717 13.389 0.130 1.00 63.21 C ATOM 2957 CE1 PHE B 73 -5.923 11.354 0.570 1.00 75.31 C ATOM 2958 CE2 PHE B 73 -6.590 13.618 0.893 1.00 61.10 C ATOM 2959 CZ PHE B 73 -5.691 12.599 1.114 1.00 51.43 C ATOM 0 H PHE B 73 -7.606 10.630 -2.754 1.00 72.05 H new ATOM 0 HA PHE B 73 -10.046 11.911 -3.221 1.00 60.11 H new ATOM 0 HB2 PHE B 73 -10.001 12.539 -0.866 1.00 32.12 H new ATOM 0 HB3 PHE B 73 -9.523 10.867 -1.089 1.00 32.12 H new ATOM 0 HD1 PHE B 73 -7.228 10.153 -0.618 1.00 52.33 H new ATOM 0 HD2 PHE B 73 -8.419 14.193 -0.037 1.00 63.21 H new ATOM 0 HE1 PHE B 73 -5.221 10.551 0.741 1.00 75.31 H new ATOM 0 HE2 PHE B 73 -6.413 14.596 1.316 1.00 61.10 H new ATOM 0 HZ PHE B 73 -4.808 12.774 1.711 1.00 51.43 H new ATOM 2969 N SER B 74 -7.541 13.924 -3.360 1.00 52.11 N ATOM 2970 CA SER B 74 -7.176 15.281 -3.664 1.00 11.43 C ATOM 2971 C SER B 74 -7.346 15.577 -5.162 1.00 21.35 C ATOM 2972 O SER B 74 -6.976 16.654 -5.636 1.00 63.50 O ATOM 2973 CB SER B 74 -5.740 15.557 -3.209 1.00 35.45 C ATOM 2974 OG SER B 74 -5.597 15.294 -1.813 1.00 13.22 O ATOM 0 H SER B 74 -6.770 13.257 -3.389 1.00 52.11 H new ATOM 0 HA SER B 74 -7.845 15.947 -3.120 1.00 11.43 H new ATOM 0 HB2 SER B 74 -5.047 14.934 -3.775 1.00 35.45 H new ATOM 0 HB3 SER B 74 -5.479 16.595 -3.418 1.00 35.45 H new ATOM 0 HG SER B 74 -6.405 14.852 -1.479 1.00 13.22 H new ATOM 2980 N GLY B 75 -7.909 14.633 -5.902 1.00 52.12 N ATOM 2981 CA GLY B 75 -8.121 14.826 -7.310 1.00 34.44 C ATOM 2982 C GLY B 75 -7.166 14.008 -8.125 1.00 23.44 C ATOM 2983 O GLY B 75 -7.574 13.168 -8.923 1.00 0.23 O ATOM 0 H GLY B 75 -8.223 13.732 -5.543 1.00 52.12 H new ATOM 0 HA2 GLY B 75 -9.145 14.554 -7.566 1.00 34.44 H new ATOM 0 HA3 GLY B 75 -8.000 15.881 -7.556 1.00 34.44 H new ATOM 2987 N HIS B 76 -5.897 14.233 -7.907 1.00 24.44 N ATOM 2988 CA HIS B 76 -4.881 13.498 -8.621 1.00 25.44 C ATOM 2989 C HIS B 76 -4.429 12.321 -7.789 1.00 42.24 C ATOM 2990 O HIS B 76 -4.095 12.479 -6.611 1.00 1.33 O ATOM 2991 CB HIS B 76 -3.689 14.377 -9.048 1.00 61.14 C ATOM 2992 CG HIS B 76 -4.047 15.434 -10.053 1.00 52.12 C ATOM 2993 ND1 HIS B 76 -3.774 16.766 -9.876 1.00 54.34 N ATOM 2994 CD2 HIS B 76 -4.638 15.339 -11.266 1.00 71.21 C ATOM 2995 CE1 HIS B 76 -4.179 17.444 -10.922 1.00 23.44 C ATOM 2996 NE2 HIS B 76 -4.707 16.605 -11.782 1.00 54.24 N ATOM 0 H HIS B 76 -5.540 14.919 -7.241 1.00 24.44 H new ATOM 0 HA HIS B 76 -5.325 13.136 -9.548 1.00 25.44 H new ATOM 0 HB2 HIS B 76 -3.268 14.856 -8.164 1.00 61.14 H new ATOM 0 HB3 HIS B 76 -2.910 13.739 -9.466 1.00 61.14 H new ATOM 0 HD2 HIS B 76 -4.990 14.434 -11.739 1.00 71.21 H new ATOM 0 HE1 HIS B 76 -4.093 18.512 -11.054 1.00 23.44 H new ATOM 0 HE2 HIS B 76 -5.104 16.855 -12.688 1.00 54.24 H new ATOM 3005 N PRO B 77 -4.448 11.123 -8.372 1.00 30.32 N ATOM 3006 CA PRO B 77 -4.089 9.903 -7.672 1.00 52.54 C ATOM 3007 C PRO B 77 -2.586 9.744 -7.497 1.00 64.53 C ATOM 3008 O PRO B 77 -1.813 9.777 -8.471 1.00 75.20 O ATOM 3009 CB PRO B 77 -4.658 8.815 -8.565 1.00 42.53 C ATOM 3010 CG PRO B 77 -4.593 9.385 -9.938 1.00 32.42 C ATOM 3011 CD PRO B 77 -4.831 10.859 -9.780 1.00 22.45 C ATOM 0 HA PRO B 77 -4.479 9.882 -6.654 1.00 52.54 H new ATOM 0 HB2 PRO B 77 -4.077 7.896 -8.489 1.00 42.53 H new ATOM 0 HB3 PRO B 77 -5.682 8.568 -8.286 1.00 42.53 H new ATOM 0 HG2 PRO B 77 -3.623 9.192 -10.396 1.00 32.42 H new ATOM 0 HG3 PRO B 77 -5.346 8.934 -10.585 1.00 32.42 H new ATOM 0 HD2 PRO B 77 -4.226 11.440 -10.476 1.00 22.45 H new ATOM 0 HD3 PRO B 77 -5.872 11.120 -9.968 1.00 22.45 H new ATOM 3019 N LYS B 78 -2.181 9.614 -6.268 1.00 53.15 N ATOM 3020 CA LYS B 78 -0.805 9.442 -5.924 1.00 45.02 C ATOM 3021 C LYS B 78 -0.518 8.045 -5.514 1.00 53.51 C ATOM 3022 O LYS B 78 -1.418 7.312 -5.133 1.00 53.24 O ATOM 3023 CB LYS B 78 -0.431 10.392 -4.819 1.00 75.44 C ATOM 3024 CG LYS B 78 -0.604 11.802 -5.257 1.00 33.01 C ATOM 3025 CD LYS B 78 -0.003 12.804 -4.319 1.00 21.35 C ATOM 3026 CE LYS B 78 1.428 12.507 -3.916 1.00 23.31 C ATOM 3027 NZ LYS B 78 1.848 13.423 -2.855 1.00 73.45 N ATOM 0 H LYS B 78 -2.810 9.625 -5.465 1.00 53.15 H new ATOM 0 HA LYS B 78 -0.206 9.660 -6.809 1.00 45.02 H new ATOM 0 HB2 LYS B 78 -1.050 10.200 -3.943 1.00 75.44 H new ATOM 0 HB3 LYS B 78 0.604 10.223 -4.522 1.00 75.44 H new ATOM 0 HG2 LYS B 78 -0.154 11.925 -6.242 1.00 33.01 H new ATOM 0 HG3 LYS B 78 -1.668 12.011 -5.365 1.00 33.01 H new ATOM 0 HD2 LYS B 78 -0.039 13.788 -4.787 1.00 21.35 H new ATOM 0 HD3 LYS B 78 -0.617 12.856 -3.420 1.00 21.35 H new ATOM 0 HE2 LYS B 78 1.511 11.476 -3.572 1.00 23.31 H new ATOM 0 HE3 LYS B 78 2.086 12.610 -4.779 1.00 23.31 H new ATOM 0 HZ1 LYS B 78 2.830 13.213 -2.584 1.00 73.45 H new ATOM 0 HZ2 LYS B 78 1.785 14.403 -3.197 1.00 73.45 H new ATOM 0 HZ3 LYS B 78 1.228 13.305 -2.029 1.00 73.45 H new ATOM 3041 N GLY B 79 0.730 7.678 -5.587 1.00 1.43 N ATOM 3042 CA GLY B 79 1.115 6.352 -5.247 1.00 3.33 C ATOM 3043 C GLY B 79 2.309 6.296 -4.331 1.00 14.55 C ATOM 3044 O GLY B 79 3.288 7.040 -4.504 1.00 22.32 O ATOM 0 H GLY B 79 1.495 8.286 -5.881 1.00 1.43 H new ATOM 0 HA2 GLY B 79 0.275 5.848 -4.769 1.00 3.33 H new ATOM 0 HA3 GLY B 79 1.340 5.801 -6.160 1.00 3.33 H new ATOM 3048 N TYR B 80 2.206 5.442 -3.354 1.00 3.34 N ATOM 3049 CA TYR B 80 3.266 5.143 -2.422 1.00 11.52 C ATOM 3050 C TYR B 80 3.110 3.740 -1.888 1.00 63.41 C ATOM 3051 O TYR B 80 1.985 3.255 -1.687 1.00 10.52 O ATOM 3052 CB TYR B 80 3.451 6.223 -1.322 1.00 24.24 C ATOM 3053 CG TYR B 80 2.177 6.749 -0.711 1.00 1.02 C ATOM 3054 CD1 TYR B 80 1.572 6.128 0.368 1.00 13.51 C ATOM 3055 CD2 TYR B 80 1.580 7.878 -1.236 1.00 61.12 C ATOM 3056 CE1 TYR B 80 0.399 6.627 0.911 1.00 52.15 C ATOM 3057 CE2 TYR B 80 0.421 8.381 -0.717 1.00 14.12 C ATOM 3058 CZ TYR B 80 -0.173 7.763 0.355 1.00 21.34 C ATOM 3059 OH TYR B 80 -1.354 8.270 0.854 1.00 1.11 O ATOM 0 H TYR B 80 1.353 4.913 -3.174 1.00 3.34 H new ATOM 0 HA TYR B 80 4.209 5.178 -2.968 1.00 11.52 H new ATOM 0 HB2 TYR B 80 4.070 5.806 -0.527 1.00 24.24 H new ATOM 0 HB3 TYR B 80 4.002 7.061 -1.749 1.00 24.24 H new ATOM 0 HD1 TYR B 80 2.021 5.242 0.793 1.00 13.51 H new ATOM 0 HD2 TYR B 80 2.040 8.375 -2.077 1.00 61.12 H new ATOM 0 HE1 TYR B 80 -0.064 6.139 1.756 1.00 52.15 H new ATOM 0 HE2 TYR B 80 -0.027 9.263 -1.149 1.00 14.12 H new ATOM 0 HH TYR B 80 -1.882 8.651 0.121 1.00 1.11 H new ATOM 3069 N ALA B 81 4.208 3.081 -1.682 1.00 33.11 N ATOM 3070 CA ALA B 81 4.195 1.703 -1.307 1.00 21.25 C ATOM 3071 C ALA B 81 5.115 1.480 -0.150 1.00 3.00 C ATOM 3072 O ALA B 81 6.068 2.201 0.032 1.00 1.52 O ATOM 3073 CB ALA B 81 4.611 0.837 -2.487 1.00 44.10 C ATOM 0 H ALA B 81 5.140 3.485 -1.770 1.00 33.11 H new ATOM 0 HA ALA B 81 3.184 1.425 -1.010 1.00 21.25 H new ATOM 0 HB1 ALA B 81 4.598 -0.212 -2.191 1.00 44.10 H new ATOM 0 HB2 ALA B 81 3.916 0.990 -3.313 1.00 44.10 H new ATOM 0 HB3 ALA B 81 5.617 1.112 -2.803 1.00 44.10 H new ATOM 3079 N TYR B 82 4.799 0.526 0.644 1.00 64.04 N ATOM 3080 CA TYR B 82 5.592 0.168 1.772 1.00 30.44 C ATOM 3081 C TYR B 82 5.899 -1.284 1.706 1.00 31.43 C ATOM 3082 O TYR B 82 5.011 -2.095 1.481 1.00 15.53 O ATOM 3083 CB TYR B 82 4.853 0.506 3.051 1.00 65.32 C ATOM 3084 CG TYR B 82 4.570 1.972 3.182 1.00 65.45 C ATOM 3085 CD1 TYR B 82 5.492 2.802 3.752 1.00 62.22 C ATOM 3086 CD2 TYR B 82 3.389 2.524 2.721 1.00 34.22 C ATOM 3087 CE1 TYR B 82 5.264 4.139 3.874 1.00 3.15 C ATOM 3088 CE2 TYR B 82 3.152 3.877 2.829 1.00 41.55 C ATOM 3089 CZ TYR B 82 4.095 4.678 3.412 1.00 32.51 C ATOM 3090 OH TYR B 82 3.885 6.041 3.511 1.00 64.42 O ATOM 0 H TYR B 82 3.962 -0.045 0.530 1.00 64.04 H new ATOM 0 HA TYR B 82 6.526 0.729 1.763 1.00 30.44 H new ATOM 0 HB2 TYR B 82 3.913 -0.046 3.080 1.00 65.32 H new ATOM 0 HB3 TYR B 82 5.443 0.176 3.906 1.00 65.32 H new ATOM 0 HD1 TYR B 82 6.422 2.389 4.114 1.00 62.22 H new ATOM 0 HD2 TYR B 82 2.643 1.886 2.270 1.00 34.22 H new ATOM 0 HE1 TYR B 82 6.006 4.774 4.335 1.00 3.15 H new ATOM 0 HE2 TYR B 82 2.231 4.301 2.457 1.00 41.55 H new ATOM 0 HH TYR B 82 4.584 6.517 3.015 1.00 64.42 H new ATOM 3100 N ILE B 83 7.137 -1.617 1.851 1.00 24.10 N ATOM 3101 CA ILE B 83 7.552 -2.983 1.749 1.00 75.45 C ATOM 3102 C ILE B 83 7.938 -3.502 3.139 1.00 33.34 C ATOM 3103 O ILE B 83 8.882 -3.002 3.754 1.00 22.42 O ATOM 3104 CB ILE B 83 8.789 -3.095 0.799 1.00 54.31 C ATOM 3105 CG1 ILE B 83 8.543 -2.372 -0.550 1.00 21.04 C ATOM 3106 CG2 ILE B 83 9.158 -4.543 0.546 1.00 21.41 C ATOM 3107 CD1 ILE B 83 7.380 -2.899 -1.370 1.00 31.15 C ATOM 0 H ILE B 83 7.890 -0.956 2.043 1.00 24.10 H new ATOM 0 HA ILE B 83 6.731 -3.576 1.345 1.00 75.45 H new ATOM 0 HB ILE B 83 9.620 -2.604 1.305 1.00 54.31 H new ATOM 0 HG12 ILE B 83 8.374 -1.314 -0.350 1.00 21.04 H new ATOM 0 HG13 ILE B 83 9.450 -2.442 -1.151 1.00 21.04 H new ATOM 0 HG21 ILE B 83 10.021 -4.588 -0.118 1.00 21.41 H new ATOM 0 HG22 ILE B 83 9.402 -5.027 1.492 1.00 21.41 H new ATOM 0 HG23 ILE B 83 8.316 -5.057 0.082 1.00 21.41 H new ATOM 0 HD11 ILE B 83 7.295 -2.325 -2.293 1.00 31.15 H new ATOM 0 HD12 ILE B 83 7.550 -3.948 -1.610 1.00 31.15 H new ATOM 0 HD13 ILE B 83 6.458 -2.803 -0.797 1.00 31.15 H new ATOM 3119 N GLU B 84 7.198 -4.466 3.632 1.00 61.12 N ATOM 3120 CA GLU B 84 7.501 -5.092 4.899 1.00 20.43 C ATOM 3121 C GLU B 84 8.395 -6.309 4.667 1.00 62.15 C ATOM 3122 O GLU B 84 8.007 -7.265 3.979 1.00 33.42 O ATOM 3123 CB GLU B 84 6.214 -5.552 5.638 1.00 0.13 C ATOM 3124 CG GLU B 84 5.314 -4.461 6.251 1.00 34.50 C ATOM 3125 CD GLU B 84 4.728 -3.457 5.276 1.00 0.45 C ATOM 3126 OE1 GLU B 84 3.753 -3.766 4.596 1.00 61.53 O ATOM 3127 OE2 GLU B 84 5.186 -2.323 5.260 1.00 4.43 O ATOM 0 H GLU B 84 6.370 -4.839 3.168 1.00 61.12 H new ATOM 0 HA GLU B 84 8.009 -4.353 5.519 1.00 20.43 H new ATOM 0 HB2 GLU B 84 5.612 -6.129 4.936 1.00 0.13 H new ATOM 0 HB3 GLU B 84 6.510 -6.231 6.437 1.00 0.13 H new ATOM 0 HG2 GLU B 84 4.493 -4.948 6.777 1.00 34.50 H new ATOM 0 HG3 GLU B 84 5.893 -3.917 6.998 1.00 34.50 H new ATOM 3134 N PHE B 85 9.567 -6.295 5.225 1.00 51.13 N ATOM 3135 CA PHE B 85 10.454 -7.420 5.094 1.00 1.33 C ATOM 3136 C PHE B 85 10.370 -8.286 6.335 1.00 44.21 C ATOM 3137 O PHE B 85 9.957 -7.827 7.392 1.00 21.34 O ATOM 3138 CB PHE B 85 11.895 -6.977 4.872 1.00 51.24 C ATOM 3139 CG PHE B 85 12.125 -6.179 3.623 1.00 72.14 C ATOM 3140 CD1 PHE B 85 12.294 -6.812 2.399 1.00 40.30 C ATOM 3141 CD2 PHE B 85 12.200 -4.803 3.672 1.00 34.41 C ATOM 3142 CE1 PHE B 85 12.531 -6.082 1.255 1.00 22.34 C ATOM 3143 CE2 PHE B 85 12.433 -4.071 2.532 1.00 11.54 C ATOM 3144 CZ PHE B 85 12.598 -4.711 1.323 1.00 62.21 C ATOM 0 H PHE B 85 9.935 -5.520 5.776 1.00 51.13 H new ATOM 0 HA PHE B 85 10.141 -7.993 4.221 1.00 1.33 H new ATOM 0 HB2 PHE B 85 12.213 -6.383 5.729 1.00 51.24 H new ATOM 0 HB3 PHE B 85 12.531 -7.861 4.843 1.00 51.24 H new ATOM 0 HD1 PHE B 85 12.239 -7.889 2.343 1.00 40.30 H new ATOM 0 HD2 PHE B 85 12.074 -4.295 4.617 1.00 34.41 H new ATOM 0 HE1 PHE B 85 12.664 -6.585 0.309 1.00 22.34 H new ATOM 0 HE2 PHE B 85 12.487 -2.994 2.584 1.00 11.54 H new ATOM 0 HZ PHE B 85 12.780 -4.135 0.428 1.00 62.21 H new ATOM 3154 N ALA B 86 10.723 -9.543 6.200 1.00 65.41 N ATOM 3155 CA ALA B 86 10.733 -10.441 7.340 1.00 32.13 C ATOM 3156 C ALA B 86 12.023 -10.278 8.132 1.00 3.33 C ATOM 3157 O ALA B 86 12.118 -10.686 9.294 1.00 11.54 O ATOM 3158 CB ALA B 86 10.573 -11.884 6.877 1.00 23.35 C ATOM 0 H ALA B 86 11.007 -9.969 5.318 1.00 65.41 H new ATOM 0 HA ALA B 86 9.894 -10.189 7.989 1.00 32.13 H new ATOM 0 HB1 ALA B 86 10.582 -12.547 7.742 1.00 23.35 H new ATOM 0 HB2 ALA B 86 9.627 -11.993 6.346 1.00 23.35 H new ATOM 0 HB3 ALA B 86 11.395 -12.146 6.211 1.00 23.35 H new ATOM 3164 N GLU B 87 13.005 -9.687 7.498 1.00 75.25 N ATOM 3165 CA GLU B 87 14.308 -9.507 8.085 1.00 44.40 C ATOM 3166 C GLU B 87 14.720 -8.026 8.075 1.00 10.23 C ATOM 3167 O GLU B 87 14.447 -7.310 7.101 1.00 43.10 O ATOM 3168 CB GLU B 87 15.282 -10.273 7.215 1.00 32.01 C ATOM 3169 CG GLU B 87 14.951 -11.744 7.051 1.00 15.11 C ATOM 3170 CD GLU B 87 15.752 -12.376 5.954 1.00 11.54 C ATOM 3171 OE1 GLU B 87 16.951 -12.643 6.158 1.00 13.41 O ATOM 3172 OE2 GLU B 87 15.194 -12.586 4.846 1.00 63.10 O ATOM 0 H GLU B 87 12.921 -9.314 6.552 1.00 75.25 H new ATOM 0 HA GLU B 87 14.301 -9.854 9.118 1.00 44.40 H new ATOM 0 HB2 GLU B 87 15.314 -9.808 6.230 1.00 32.01 H new ATOM 0 HB3 GLU B 87 16.281 -10.183 7.642 1.00 32.01 H new ATOM 0 HG2 GLU B 87 15.143 -12.266 7.988 1.00 15.11 H new ATOM 0 HG3 GLU B 87 13.888 -11.856 6.836 1.00 15.11 H new ATOM 3179 N ARG B 88 15.368 -7.570 9.153 1.00 2.12 N ATOM 3180 CA ARG B 88 15.954 -6.225 9.202 1.00 45.13 C ATOM 3181 C ARG B 88 17.056 -6.090 8.172 1.00 70.30 C ATOM 3182 O ARG B 88 17.269 -5.026 7.602 1.00 72.53 O ATOM 3183 CB ARG B 88 16.547 -5.912 10.575 1.00 75.01 C ATOM 3184 CG ARG B 88 15.630 -5.206 11.551 1.00 4.53 C ATOM 3185 CD ARG B 88 15.190 -3.856 10.989 1.00 53.44 C ATOM 3186 NE ARG B 88 16.331 -3.059 10.498 1.00 73.23 N ATOM 3187 CZ ARG B 88 16.278 -1.781 10.111 1.00 41.21 C ATOM 3188 NH1 ARG B 88 15.155 -1.068 10.237 1.00 1.43 N ATOM 3189 NH2 ARG B 88 17.343 -1.225 9.572 1.00 52.50 N ATOM 0 H ARG B 88 15.500 -8.114 10.006 1.00 2.12 H new ATOM 0 HA ARG B 88 15.146 -5.524 8.993 1.00 45.13 H new ATOM 0 HB2 ARG B 88 16.876 -6.847 11.028 1.00 75.01 H new ATOM 0 HB3 ARG B 88 17.436 -5.297 10.433 1.00 75.01 H new ATOM 0 HG2 ARG B 88 14.756 -5.826 11.751 1.00 4.53 H new ATOM 0 HG3 ARG B 88 16.143 -5.061 12.502 1.00 4.53 H new ATOM 0 HD2 ARG B 88 14.483 -4.016 10.175 1.00 53.44 H new ATOM 0 HD3 ARG B 88 14.664 -3.296 11.762 1.00 53.44 H new ATOM 0 HE ARG B 88 17.238 -3.523 10.450 1.00 73.23 H new ATOM 0 HH11 ARG B 88 14.320 -1.498 10.634 1.00 1.43 H new ATOM 0 HH12 ARG B 88 15.133 -0.094 9.936 1.00 1.43 H new ATOM 0 HH21 ARG B 88 18.198 -1.769 9.453 1.00 52.50 H new ATOM 0 HH22 ARG B 88 17.313 -0.250 9.273 1.00 52.50 H new ATOM 3203 N ASN B 89 17.751 -7.171 7.946 1.00 73.23 N ATOM 3204 CA ASN B 89 18.821 -7.202 6.971 1.00 63.03 C ATOM 3205 C ASN B 89 18.326 -6.915 5.563 1.00 65.45 C ATOM 3206 O ASN B 89 19.041 -6.307 4.770 1.00 61.31 O ATOM 3207 CB ASN B 89 19.647 -8.502 7.067 1.00 32.31 C ATOM 3208 CG ASN B 89 18.802 -9.772 7.069 1.00 11.15 C ATOM 3209 OD1 ASN B 89 18.372 -10.207 8.100 1.00 34.03 O ATOM 3210 ND2 ASN B 89 18.609 -10.380 5.969 1.00 11.40 N ATOM 0 H ASN B 89 17.597 -8.056 8.428 1.00 73.23 H new ATOM 0 HA ASN B 89 19.503 -6.388 7.217 1.00 63.03 H new ATOM 0 HB2 ASN B 89 20.343 -8.542 6.229 1.00 32.31 H new ATOM 0 HB3 ASN B 89 20.246 -8.474 7.977 1.00 32.31 H new ATOM 0 HD21 ASN B 89 18.081 -11.253 5.954 1.00 11.40 H new ATOM 0 HD22 ASN B 89 18.982 -9.995 5.101 1.00 11.40 H new ATOM 3217 N SER B 90 17.100 -7.312 5.253 1.00 44.52 N ATOM 3218 CA SER B 90 16.525 -7.038 3.967 1.00 54.30 C ATOM 3219 C SER B 90 16.273 -5.528 3.795 1.00 54.41 C ATOM 3220 O SER B 90 16.534 -4.964 2.739 1.00 52.14 O ATOM 3221 CB SER B 90 15.222 -7.782 3.871 1.00 24.03 C ATOM 3222 OG SER B 90 15.392 -9.143 4.203 1.00 20.31 O ATOM 0 H SER B 90 16.490 -7.828 5.887 1.00 44.52 H new ATOM 0 HA SER B 90 17.210 -7.359 3.182 1.00 54.30 H new ATOM 0 HB2 SER B 90 14.490 -7.329 4.540 1.00 24.03 H new ATOM 0 HB3 SER B 90 14.824 -7.697 2.860 1.00 24.03 H new ATOM 0 HG SER B 90 14.531 -9.606 4.135 1.00 20.31 H new ATOM 3228 N VAL B 91 15.784 -4.877 4.851 1.00 13.52 N ATOM 3229 CA VAL B 91 15.540 -3.442 4.794 1.00 74.43 C ATOM 3230 C VAL B 91 16.815 -2.637 4.646 1.00 61.32 C ATOM 3231 O VAL B 91 16.879 -1.745 3.800 1.00 23.25 O ATOM 3232 CB VAL B 91 14.522 -2.886 5.885 1.00 62.04 C ATOM 3233 CG1 VAL B 91 14.646 -3.599 7.187 1.00 64.24 C ATOM 3234 CG2 VAL B 91 14.762 -1.407 6.152 1.00 21.25 C ATOM 0 H VAL B 91 15.553 -5.316 5.742 1.00 13.52 H new ATOM 0 HA VAL B 91 14.992 -3.287 3.865 1.00 74.43 H new ATOM 0 HB VAL B 91 13.526 -3.049 5.473 1.00 62.04 H new ATOM 0 HG11 VAL B 91 13.932 -3.184 7.898 1.00 64.24 H new ATOM 0 HG12 VAL B 91 14.440 -4.660 7.042 1.00 64.24 H new ATOM 0 HG13 VAL B 91 15.657 -3.475 7.575 1.00 64.24 H new ATOM 0 HG21 VAL B 91 14.053 -1.053 6.901 1.00 21.25 H new ATOM 0 HG22 VAL B 91 15.779 -1.264 6.518 1.00 21.25 H new ATOM 0 HG23 VAL B 91 14.626 -0.844 5.229 1.00 21.25 H new ATOM 3244 N ASP B 92 17.850 -2.975 5.414 1.00 24.40 N ATOM 3245 CA ASP B 92 19.158 -2.319 5.258 1.00 62.31 C ATOM 3246 C ASP B 92 19.727 -2.505 3.855 1.00 42.32 C ATOM 3247 O ASP B 92 20.417 -1.631 3.331 1.00 53.24 O ATOM 3248 CB ASP B 92 20.171 -2.785 6.310 1.00 44.01 C ATOM 3249 CG ASP B 92 19.935 -2.196 7.679 1.00 64.11 C ATOM 3250 OD1 ASP B 92 20.463 -1.092 7.950 1.00 11.34 O ATOM 3251 OD2 ASP B 92 19.248 -2.814 8.508 1.00 54.51 O ATOM 0 H ASP B 92 17.816 -3.688 6.142 1.00 24.40 H new ATOM 0 HA ASP B 92 18.981 -1.255 5.414 1.00 62.31 H new ATOM 0 HB2 ASP B 92 20.135 -3.872 6.380 1.00 44.01 H new ATOM 0 HB3 ASP B 92 21.175 -2.520 5.978 1.00 44.01 H new ATOM 3256 N ALA B 93 19.442 -3.636 3.252 1.00 55.34 N ATOM 3257 CA ALA B 93 19.877 -3.908 1.892 1.00 34.34 C ATOM 3258 C ALA B 93 19.043 -3.093 0.885 1.00 4.14 C ATOM 3259 O ALA B 93 19.569 -2.591 -0.111 1.00 65.23 O ATOM 3260 CB ALA B 93 19.769 -5.392 1.601 1.00 31.33 C ATOM 0 H ALA B 93 18.907 -4.391 3.682 1.00 55.34 H new ATOM 0 HA ALA B 93 20.920 -3.608 1.789 1.00 34.34 H new ATOM 0 HB1 ALA B 93 20.097 -5.587 0.580 1.00 31.33 H new ATOM 0 HB2 ALA B 93 20.399 -5.946 2.297 1.00 31.33 H new ATOM 0 HB3 ALA B 93 18.733 -5.711 1.717 1.00 31.33 H new ATOM 3266 N ALA B 94 17.765 -2.943 1.165 1.00 22.31 N ATOM 3267 CA ALA B 94 16.845 -2.253 0.267 1.00 44.32 C ATOM 3268 C ALA B 94 17.048 -0.742 0.289 1.00 50.20 C ATOM 3269 O ALA B 94 17.062 -0.099 -0.759 1.00 5.13 O ATOM 3270 CB ALA B 94 15.413 -2.602 0.607 1.00 63.30 C ATOM 0 H ALA B 94 17.329 -3.293 2.018 1.00 22.31 H new ATOM 0 HA ALA B 94 17.062 -2.593 -0.746 1.00 44.32 H new ATOM 0 HB1 ALA B 94 14.740 -2.079 -0.072 1.00 63.30 H new ATOM 0 HB2 ALA B 94 15.267 -3.677 0.506 1.00 63.30 H new ATOM 0 HB3 ALA B 94 15.199 -2.301 1.633 1.00 63.30 H new ATOM 3276 N VAL B 95 17.198 -0.182 1.494 1.00 24.24 N ATOM 3277 CA VAL B 95 17.420 1.273 1.681 1.00 34.11 C ATOM 3278 C VAL B 95 18.571 1.835 0.831 1.00 13.42 C ATOM 3279 O VAL B 95 18.607 3.022 0.549 1.00 54.45 O ATOM 3280 CB VAL B 95 17.597 1.716 3.163 1.00 23.23 C ATOM 3281 CG1 VAL B 95 16.383 1.349 3.988 1.00 61.00 C ATOM 3282 CG2 VAL B 95 18.859 1.126 3.772 1.00 2.14 C ATOM 0 H VAL B 95 17.171 -0.711 2.366 1.00 24.24 H new ATOM 0 HA VAL B 95 16.486 1.706 1.323 1.00 34.11 H new ATOM 0 HB VAL B 95 17.699 2.801 3.170 1.00 23.23 H new ATOM 0 HG11 VAL B 95 16.533 1.670 5.019 1.00 61.00 H new ATOM 0 HG12 VAL B 95 15.502 1.843 3.579 1.00 61.00 H new ATOM 0 HG13 VAL B 95 16.238 0.269 3.962 1.00 61.00 H new ATOM 0 HG21 VAL B 95 18.952 1.455 4.807 1.00 2.14 H new ATOM 0 HG22 VAL B 95 18.804 0.038 3.741 1.00 2.14 H new ATOM 0 HG23 VAL B 95 19.728 1.461 3.205 1.00 2.14 H new ATOM 3292 N ALA B 96 19.491 0.971 0.418 1.00 44.52 N ATOM 3293 CA ALA B 96 20.626 1.374 -0.415 1.00 12.12 C ATOM 3294 C ALA B 96 20.161 1.884 -1.791 1.00 32.42 C ATOM 3295 O ALA B 96 20.906 2.568 -2.501 1.00 25.12 O ATOM 3296 CB ALA B 96 21.583 0.211 -0.585 1.00 65.32 C ATOM 0 H ALA B 96 19.475 -0.023 0.647 1.00 44.52 H new ATOM 0 HA ALA B 96 21.139 2.193 0.089 1.00 12.12 H new ATOM 0 HB1 ALA B 96 22.424 0.520 -1.206 1.00 65.32 H new ATOM 0 HB2 ALA B 96 21.950 -0.104 0.392 1.00 65.32 H new ATOM 0 HB3 ALA B 96 21.065 -0.620 -1.063 1.00 65.32 H new ATOM 3302 N MET B 97 18.931 1.559 -2.152 1.00 2.35 N ATOM 3303 CA MET B 97 18.363 1.975 -3.435 1.00 51.32 C ATOM 3304 C MET B 97 17.550 3.246 -3.281 1.00 73.21 C ATOM 3305 O MET B 97 16.885 3.655 -4.218 1.00 11.43 O ATOM 3306 CB MET B 97 17.444 0.894 -4.034 1.00 42.34 C ATOM 3307 CG MET B 97 18.099 -0.442 -4.335 1.00 63.34 C ATOM 3308 SD MET B 97 16.966 -1.607 -5.151 1.00 51.44 S ATOM 3309 CE MET B 97 15.613 -1.694 -3.973 1.00 11.20 C ATOM 0 H MET B 97 18.299 1.005 -1.574 1.00 2.35 H new ATOM 0 HA MET B 97 19.208 2.143 -4.103 1.00 51.32 H new ATOM 0 HB2 MET B 97 16.618 0.724 -3.344 1.00 42.34 H new ATOM 0 HB3 MET B 97 17.013 1.282 -4.957 1.00 42.34 H new ATOM 0 HG2 MET B 97 18.969 -0.281 -4.971 1.00 63.34 H new ATOM 0 HG3 MET B 97 18.461 -0.883 -3.406 1.00 63.34 H new ATOM 0 HE1 MET B 97 14.995 -2.564 -4.193 1.00 11.20 H new ATOM 0 HE2 MET B 97 16.015 -1.780 -2.963 1.00 11.20 H new ATOM 0 HE3 MET B 97 15.007 -0.791 -4.047 1.00 11.20 H new ATOM 3319 N ASP B 98 17.591 3.852 -2.086 1.00 13.41 N ATOM 3320 CA ASP B 98 16.799 5.061 -1.763 1.00 70.42 C ATOM 3321 C ASP B 98 16.701 6.074 -2.878 1.00 33.13 C ATOM 3322 O ASP B 98 15.628 6.555 -3.136 1.00 70.15 O ATOM 3323 CB ASP B 98 17.240 5.739 -0.469 1.00 50.01 C ATOM 3324 CG ASP B 98 18.541 6.471 -0.571 1.00 12.23 C ATOM 3325 OD1 ASP B 98 19.600 5.829 -0.645 1.00 54.02 O ATOM 3326 OD2 ASP B 98 18.521 7.714 -0.574 1.00 10.24 O ATOM 0 H ASP B 98 18.171 3.524 -1.314 1.00 13.41 H new ATOM 0 HA ASP B 98 15.794 4.665 -1.619 1.00 70.42 H new ATOM 0 HB2 ASP B 98 16.465 6.440 -0.157 1.00 50.01 H new ATOM 0 HB3 ASP B 98 17.321 4.985 0.314 1.00 50.01 H new ATOM 3331 N GLU B 99 17.793 6.433 -3.519 1.00 73.30 N ATOM 3332 CA GLU B 99 17.695 7.328 -4.628 1.00 64.42 C ATOM 3333 C GLU B 99 18.086 6.596 -5.921 1.00 2.21 C ATOM 3334 O GLU B 99 19.273 6.482 -6.271 1.00 53.22 O ATOM 3335 CB GLU B 99 18.548 8.568 -4.358 1.00 20.02 C ATOM 3336 CG GLU B 99 18.402 9.700 -5.348 1.00 15.33 C ATOM 3337 CD GLU B 99 19.205 10.899 -4.917 1.00 15.34 C ATOM 3338 OE1 GLU B 99 18.691 11.718 -4.110 1.00 0.23 O ATOM 3339 OE2 GLU B 99 20.361 11.033 -5.340 1.00 23.14 O ATOM 0 H GLU B 99 18.737 6.121 -3.290 1.00 73.30 H new ATOM 0 HA GLU B 99 16.668 7.669 -4.758 1.00 64.42 H new ATOM 0 HB2 GLU B 99 18.301 8.945 -3.366 1.00 20.02 H new ATOM 0 HB3 GLU B 99 19.595 8.266 -4.333 1.00 20.02 H new ATOM 0 HG2 GLU B 99 18.732 9.371 -6.333 1.00 15.33 H new ATOM 0 HG3 GLU B 99 17.351 9.975 -5.439 1.00 15.33 H new ATOM 3346 N THR B 100 17.084 6.059 -6.569 1.00 11.11 N ATOM 3347 CA THR B 100 17.245 5.298 -7.809 1.00 60.43 C ATOM 3348 C THR B 100 16.109 5.578 -8.768 1.00 62.24 C ATOM 3349 O THR B 100 15.147 6.263 -8.415 1.00 4.14 O ATOM 3350 CB THR B 100 17.344 3.762 -7.563 1.00 42.22 C ATOM 3351 OG1 THR B 100 16.255 3.309 -6.746 1.00 11.20 O ATOM 3352 CG2 THR B 100 18.677 3.362 -6.947 1.00 43.31 C ATOM 0 H THR B 100 16.116 6.132 -6.257 1.00 11.11 H new ATOM 0 HA THR B 100 18.187 5.629 -8.247 1.00 60.43 H new ATOM 0 HB THR B 100 17.280 3.277 -8.537 1.00 42.22 H new ATOM 0 HG1 THR B 100 16.336 3.696 -5.849 1.00 11.20 H new ATOM 0 HG21 THR B 100 18.698 2.283 -6.795 1.00 43.31 H new ATOM 0 HG22 THR B 100 19.488 3.650 -7.616 1.00 43.31 H new ATOM 0 HG23 THR B 100 18.801 3.866 -5.989 1.00 43.31 H new ATOM 3360 N VAL B 101 16.210 5.056 -9.960 1.00 4.33 N ATOM 3361 CA VAL B 101 15.188 5.235 -10.935 1.00 51.41 C ATOM 3362 C VAL B 101 14.398 3.944 -11.106 1.00 41.44 C ATOM 3363 O VAL B 101 14.964 2.853 -11.257 1.00 43.10 O ATOM 3364 CB VAL B 101 15.735 5.761 -12.300 1.00 13.55 C ATOM 3365 CG1 VAL B 101 16.789 4.845 -12.883 1.00 33.14 C ATOM 3366 CG2 VAL B 101 14.610 5.982 -13.293 1.00 72.15 C ATOM 0 H VAL B 101 17.003 4.498 -10.275 1.00 4.33 H new ATOM 0 HA VAL B 101 14.518 6.012 -10.567 1.00 51.41 H new ATOM 0 HB VAL B 101 16.212 6.721 -12.100 1.00 13.55 H new ATOM 0 HG11 VAL B 101 17.140 5.251 -13.832 1.00 33.14 H new ATOM 0 HG12 VAL B 101 17.627 4.767 -12.190 1.00 33.14 H new ATOM 0 HG13 VAL B 101 16.361 3.856 -13.048 1.00 33.14 H new ATOM 0 HG21 VAL B 101 15.022 6.348 -14.234 1.00 72.15 H new ATOM 0 HG22 VAL B 101 14.088 5.041 -13.467 1.00 72.15 H new ATOM 0 HG23 VAL B 101 13.911 6.716 -12.893 1.00 72.15 H new ATOM 3376 N PHE B 102 13.116 4.071 -11.029 1.00 71.13 N ATOM 3377 CA PHE B 102 12.206 2.985 -11.154 1.00 32.34 C ATOM 3378 C PHE B 102 11.074 3.428 -12.057 1.00 43.04 C ATOM 3379 O PHE B 102 10.424 4.444 -11.786 1.00 63.12 O ATOM 3380 CB PHE B 102 11.688 2.629 -9.756 1.00 0.31 C ATOM 3381 CG PHE B 102 10.714 1.489 -9.668 1.00 22.30 C ATOM 3382 CD1 PHE B 102 11.161 0.187 -9.547 1.00 54.22 C ATOM 3383 CD2 PHE B 102 9.346 1.726 -9.677 1.00 60.32 C ATOM 3384 CE1 PHE B 102 10.268 -0.858 -9.438 1.00 61.32 C ATOM 3385 CE2 PHE B 102 8.451 0.686 -9.572 1.00 21.05 C ATOM 3386 CZ PHE B 102 8.913 -0.607 -9.452 1.00 41.54 C ATOM 0 H PHE B 102 12.657 4.968 -10.871 1.00 71.13 H new ATOM 0 HA PHE B 102 12.682 2.105 -11.585 1.00 32.34 H new ATOM 0 HB2 PHE B 102 12.545 2.394 -9.125 1.00 0.31 H new ATOM 0 HB3 PHE B 102 11.214 3.515 -9.333 1.00 0.31 H new ATOM 0 HD1 PHE B 102 12.222 -0.014 -9.538 1.00 54.22 H new ATOM 0 HD2 PHE B 102 8.980 2.738 -9.767 1.00 60.32 H new ATOM 0 HE1 PHE B 102 10.630 -1.871 -9.342 1.00 61.32 H new ATOM 0 HE2 PHE B 102 7.389 0.882 -9.584 1.00 21.05 H new ATOM 0 HZ PHE B 102 8.212 -1.425 -9.369 1.00 41.54 H new ATOM 3396 N ARG B 103 10.881 2.703 -13.151 1.00 1.54 N ATOM 3397 CA ARG B 103 9.810 2.958 -14.121 1.00 31.21 C ATOM 3398 C ARG B 103 9.934 4.379 -14.735 1.00 21.22 C ATOM 3399 O ARG B 103 8.950 5.022 -15.104 1.00 33.13 O ATOM 3400 CB ARG B 103 8.460 2.727 -13.441 1.00 35.53 C ATOM 3401 CG ARG B 103 7.304 2.589 -14.399 1.00 70.11 C ATOM 3402 CD ARG B 103 6.055 2.223 -13.659 1.00 52.11 C ATOM 3403 NE ARG B 103 4.912 2.037 -14.543 1.00 14.15 N ATOM 3404 CZ ARG B 103 3.903 2.884 -14.606 1.00 64.01 C ATOM 3405 NH1 ARG B 103 4.032 4.064 -14.046 1.00 70.43 N ATOM 3406 NH2 ARG B 103 2.807 2.580 -15.288 1.00 1.54 N ATOM 0 H ARG B 103 11.470 1.908 -13.398 1.00 1.54 H new ATOM 0 HA ARG B 103 9.896 2.264 -14.957 1.00 31.21 H new ATOM 0 HB2 ARG B 103 8.522 1.826 -12.831 1.00 35.53 H new ATOM 0 HB3 ARG B 103 8.260 3.557 -12.764 1.00 35.53 H new ATOM 0 HG2 ARG B 103 7.155 3.525 -14.936 1.00 70.11 H new ATOM 0 HG3 ARG B 103 7.530 1.826 -15.144 1.00 70.11 H new ATOM 0 HD2 ARG B 103 6.227 1.306 -13.096 1.00 52.11 H new ATOM 0 HD3 ARG B 103 5.825 3.004 -12.934 1.00 52.11 H new ATOM 0 HE ARG B 103 4.891 1.212 -15.142 1.00 14.15 H new ATOM 0 HH11 ARG B 103 4.901 4.312 -13.573 1.00 70.43 H new ATOM 0 HH12 ARG B 103 3.263 4.733 -14.084 1.00 70.43 H new ATOM 0 HH21 ARG B 103 2.739 1.684 -15.770 1.00 1.54 H new ATOM 0 HH22 ARG B 103 2.032 3.242 -15.330 1.00 1.54 H new ATOM 3420 N GLY B 104 11.169 4.813 -14.881 1.00 50.23 N ATOM 3421 CA GLY B 104 11.460 6.079 -15.524 1.00 72.13 C ATOM 3422 C GLY B 104 11.539 7.264 -14.576 1.00 22.23 C ATOM 3423 O GLY B 104 11.902 8.367 -14.995 1.00 51.14 O ATOM 0 H GLY B 104 11.993 4.304 -14.561 1.00 50.23 H new ATOM 0 HA2 GLY B 104 12.407 5.992 -16.057 1.00 72.13 H new ATOM 0 HA3 GLY B 104 10.691 6.278 -16.271 1.00 72.13 H new ATOM 3427 N ARG B 105 11.239 7.060 -13.312 1.00 22.55 N ATOM 3428 CA ARG B 105 11.261 8.161 -12.359 1.00 54.34 C ATOM 3429 C ARG B 105 12.072 7.811 -11.125 1.00 73.23 C ATOM 3430 O ARG B 105 12.255 6.640 -10.812 1.00 53.35 O ATOM 3431 CB ARG B 105 9.846 8.618 -11.983 1.00 51.43 C ATOM 3432 CG ARG B 105 8.967 7.525 -11.408 1.00 30.44 C ATOM 3433 CD ARG B 105 7.640 8.076 -10.923 1.00 25.43 C ATOM 3434 NE ARG B 105 6.830 8.699 -11.968 1.00 12.12 N ATOM 3435 CZ ARG B 105 5.845 9.582 -11.727 1.00 31.32 C ATOM 3436 NH1 ARG B 105 5.595 9.992 -10.481 1.00 73.14 N ATOM 3437 NH2 ARG B 105 5.114 10.050 -12.720 1.00 55.05 N ATOM 0 H ARG B 105 10.979 6.156 -12.918 1.00 22.55 H new ATOM 0 HA ARG B 105 11.752 9.000 -12.851 1.00 54.34 H new ATOM 0 HB2 ARG B 105 9.920 9.428 -11.257 1.00 51.43 H new ATOM 0 HB3 ARG B 105 9.362 9.028 -12.870 1.00 51.43 H new ATOM 0 HG2 ARG B 105 8.790 6.762 -12.166 1.00 30.44 H new ATOM 0 HG3 ARG B 105 9.484 7.038 -10.581 1.00 30.44 H new ATOM 0 HD2 ARG B 105 7.068 7.267 -10.470 1.00 25.43 H new ATOM 0 HD3 ARG B 105 7.829 8.810 -10.140 1.00 25.43 H new ATOM 0 HE ARG B 105 7.023 8.449 -12.938 1.00 12.12 H new ATOM 0 HH11 ARG B 105 6.153 9.635 -9.705 1.00 73.14 H new ATOM 0 HH12 ARG B 105 4.846 10.662 -10.305 1.00 73.14 H new ATOM 0 HH21 ARG B 105 5.295 9.742 -13.676 1.00 55.05 H new ATOM 0 HH22 ARG B 105 4.368 10.720 -12.532 1.00 55.05 H new ATOM 3451 N THR B 106 12.550 8.814 -10.443 1.00 63.43 N ATOM 3452 CA THR B 106 13.367 8.621 -9.270 1.00 33.12 C ATOM 3453 C THR B 106 12.491 8.326 -8.059 1.00 52.54 C ATOM 3454 O THR B 106 11.662 9.134 -7.679 1.00 23.02 O ATOM 3455 CB THR B 106 14.209 9.888 -8.994 1.00 62.41 C ATOM 3456 OG1 THR B 106 14.999 10.205 -10.155 1.00 75.14 O ATOM 3457 CG2 THR B 106 15.130 9.682 -7.794 1.00 52.21 C ATOM 0 H THR B 106 12.386 9.792 -10.682 1.00 63.43 H new ATOM 0 HA THR B 106 14.031 7.775 -9.448 1.00 33.12 H new ATOM 0 HB THR B 106 13.529 10.710 -8.771 1.00 62.41 H new ATOM 0 HG1 THR B 106 15.531 11.009 -9.979 1.00 75.14 H new ATOM 0 HG21 THR B 106 15.711 10.588 -7.621 1.00 52.21 H new ATOM 0 HG22 THR B 106 14.532 9.461 -6.910 1.00 52.21 H new ATOM 0 HG23 THR B 106 15.806 8.850 -7.993 1.00 52.21 H new ATOM 3465 N ILE B 107 12.689 7.193 -7.455 1.00 3.42 N ATOM 3466 CA ILE B 107 11.914 6.826 -6.287 1.00 5.45 C ATOM 3467 C ILE B 107 12.729 7.039 -5.042 1.00 1.11 C ATOM 3468 O ILE B 107 13.920 7.350 -5.121 1.00 44.42 O ATOM 3469 CB ILE B 107 11.435 5.356 -6.320 1.00 45.24 C ATOM 3470 CG1 ILE B 107 12.634 4.386 -6.403 1.00 45.45 C ATOM 3471 CG2 ILE B 107 10.458 5.142 -7.474 1.00 4.35 C ATOM 3472 CD1 ILE B 107 12.260 2.920 -6.292 1.00 71.51 C ATOM 0 H ILE B 107 13.379 6.500 -7.745 1.00 3.42 H new ATOM 0 HA ILE B 107 11.031 7.465 -6.288 1.00 5.45 H new ATOM 0 HB ILE B 107 10.908 5.141 -5.390 1.00 45.24 H new ATOM 0 HG12 ILE B 107 13.151 4.546 -7.349 1.00 45.45 H new ATOM 0 HG13 ILE B 107 13.339 4.630 -5.609 1.00 45.45 H new ATOM 0 HG21 ILE B 107 10.129 4.103 -7.485 1.00 4.35 H new ATOM 0 HG22 ILE B 107 9.594 5.794 -7.345 1.00 4.35 H new ATOM 0 HG23 ILE B 107 10.952 5.376 -8.417 1.00 4.35 H new ATOM 0 HD11 ILE B 107 13.160 2.309 -6.360 1.00 71.51 H new ATOM 0 HD12 ILE B 107 11.771 2.741 -5.334 1.00 71.51 H new ATOM 0 HD13 ILE B 107 11.580 2.656 -7.102 1.00 71.51 H new ATOM 3484 N LYS B 108 12.088 6.899 -3.912 1.00 61.23 N ATOM 3485 CA LYS B 108 12.718 7.108 -2.636 1.00 54.23 C ATOM 3486 C LYS B 108 12.345 5.970 -1.717 1.00 24.33 C ATOM 3487 O LYS B 108 11.165 5.664 -1.573 1.00 31.34 O ATOM 3488 CB LYS B 108 12.268 8.453 -2.025 1.00 10.22 C ATOM 3489 CG LYS B 108 12.895 8.780 -0.666 1.00 61.21 C ATOM 3490 CD LYS B 108 14.408 8.879 -0.764 1.00 30.53 C ATOM 3491 CE LYS B 108 15.051 9.163 0.591 1.00 2.31 C ATOM 3492 NZ LYS B 108 16.529 9.362 0.494 1.00 1.52 N ATOM 0 H LYS B 108 11.105 6.634 -3.851 1.00 61.23 H new ATOM 0 HA LYS B 108 13.800 7.139 -2.766 1.00 54.23 H new ATOM 0 HB2 LYS B 108 12.511 9.253 -2.724 1.00 10.22 H new ATOM 0 HB3 LYS B 108 11.183 8.443 -1.917 1.00 10.22 H new ATOM 0 HG2 LYS B 108 12.490 9.721 -0.294 1.00 61.21 H new ATOM 0 HG3 LYS B 108 12.625 8.009 0.056 1.00 61.21 H new ATOM 0 HD2 LYS B 108 14.807 7.948 -1.167 1.00 30.53 H new ATOM 0 HD3 LYS B 108 14.675 9.670 -1.465 1.00 30.53 H new ATOM 0 HE2 LYS B 108 14.596 10.053 1.026 1.00 2.31 H new ATOM 0 HE3 LYS B 108 14.843 8.335 1.269 1.00 2.31 H new ATOM 0 HZ1 LYS B 108 16.931 9.450 1.449 1.00 1.52 H new ATOM 0 HZ2 LYS B 108 16.958 8.547 0.012 1.00 1.52 H new ATOM 0 HZ3 LYS B 108 16.728 10.228 -0.047 1.00 1.52 H new ATOM 3506 N VAL B 109 13.336 5.335 -1.122 1.00 64.32 N ATOM 3507 CA VAL B 109 13.080 4.266 -0.190 1.00 21.24 C ATOM 3508 C VAL B 109 13.835 4.470 1.126 1.00 62.11 C ATOM 3509 O VAL B 109 15.055 4.585 1.144 1.00 61.50 O ATOM 3510 CB VAL B 109 13.238 2.809 -0.770 1.00 61.54 C ATOM 3511 CG1 VAL B 109 14.611 2.497 -1.302 1.00 2.01 C ATOM 3512 CG2 VAL B 109 12.772 1.755 0.217 1.00 45.21 C ATOM 0 H VAL B 109 14.323 5.544 -1.270 1.00 64.32 H new ATOM 0 HA VAL B 109 12.013 4.334 0.024 1.00 21.24 H new ATOM 0 HB VAL B 109 12.579 2.780 -1.638 1.00 61.54 H new ATOM 0 HG11 VAL B 109 14.631 1.475 -1.681 1.00 2.01 H new ATOM 0 HG12 VAL B 109 14.854 3.188 -2.109 1.00 2.01 H new ATOM 0 HG13 VAL B 109 15.344 2.601 -0.502 1.00 2.01 H new ATOM 0 HG21 VAL B 109 12.898 0.765 -0.222 1.00 45.21 H new ATOM 0 HG22 VAL B 109 13.363 1.825 1.130 1.00 45.21 H new ATOM 0 HG23 VAL B 109 11.720 1.917 0.452 1.00 45.21 H new ATOM 3522 N LEU B 110 13.118 4.510 2.205 1.00 32.45 N ATOM 3523 CA LEU B 110 13.715 4.714 3.510 1.00 11.13 C ATOM 3524 C LEU B 110 12.870 3.937 4.514 1.00 74.14 C ATOM 3525 O LEU B 110 11.741 3.611 4.193 1.00 31.23 O ATOM 3526 CB LEU B 110 13.921 6.256 3.869 1.00 24.44 C ATOM 3527 CG LEU B 110 12.707 7.176 4.200 1.00 12.11 C ATOM 3528 CD1 LEU B 110 11.620 7.131 3.169 1.00 24.24 C ATOM 3529 CD2 LEU B 110 12.177 6.949 5.598 1.00 23.01 C ATOM 0 H LEU B 110 12.104 4.404 2.218 1.00 32.45 H new ATOM 0 HA LEU B 110 14.735 4.329 3.531 1.00 11.13 H new ATOM 0 HB2 LEU B 110 14.594 6.296 4.725 1.00 24.44 H new ATOM 0 HB3 LEU B 110 14.446 6.711 3.029 1.00 24.44 H new ATOM 0 HG LEU B 110 13.099 8.193 4.168 1.00 12.11 H new ATOM 0 HD11 LEU B 110 10.809 7.796 3.466 1.00 24.24 H new ATOM 0 HD12 LEU B 110 12.018 7.452 2.206 1.00 24.24 H new ATOM 0 HD13 LEU B 110 11.242 6.112 3.083 1.00 24.24 H new ATOM 0 HD21 LEU B 110 11.332 7.614 5.779 1.00 23.01 H new ATOM 0 HD22 LEU B 110 11.852 5.914 5.700 1.00 23.01 H new ATOM 0 HD23 LEU B 110 12.964 7.156 6.323 1.00 23.01 H new ATOM 3541 N PRO B 111 13.384 3.600 5.702 1.00 54.30 N ATOM 3542 CA PRO B 111 12.641 2.781 6.686 1.00 71.01 C ATOM 3543 C PRO B 111 11.331 3.440 7.151 1.00 52.12 C ATOM 3544 O PRO B 111 11.320 4.609 7.526 1.00 11.12 O ATOM 3545 CB PRO B 111 13.622 2.671 7.864 1.00 14.12 C ATOM 3546 CG PRO B 111 14.952 2.974 7.274 1.00 62.31 C ATOM 3547 CD PRO B 111 14.704 3.983 6.210 1.00 33.31 C ATOM 0 HA PRO B 111 12.337 1.824 6.261 1.00 71.01 H new ATOM 0 HB2 PRO B 111 13.370 3.376 8.657 1.00 14.12 H new ATOM 0 HB3 PRO B 111 13.602 1.674 8.305 1.00 14.12 H new ATOM 0 HG2 PRO B 111 15.635 3.362 8.029 1.00 62.31 H new ATOM 0 HG3 PRO B 111 15.410 2.075 6.861 1.00 62.31 H new ATOM 0 HD2 PRO B 111 14.706 4.998 6.607 1.00 33.31 H new ATOM 0 HD3 PRO B 111 15.465 3.944 5.430 1.00 33.31 H new ATOM 3555 N LYS B 112 10.236 2.681 7.127 1.00 14.34 N ATOM 3556 CA LYS B 112 8.951 3.194 7.582 1.00 60.23 C ATOM 3557 C LYS B 112 8.922 3.173 9.083 1.00 32.51 C ATOM 3558 O LYS B 112 8.556 2.173 9.682 1.00 51.34 O ATOM 3559 CB LYS B 112 7.749 2.417 7.001 1.00 31.12 C ATOM 3560 CG LYS B 112 6.372 2.901 7.525 1.00 32.42 C ATOM 3561 CD LYS B 112 5.198 2.151 6.880 1.00 4.40 C ATOM 3562 CE LYS B 112 5.262 0.664 7.125 1.00 22.42 C ATOM 3563 NZ LYS B 112 4.215 -0.088 6.387 1.00 34.03 N ATOM 0 H LYS B 112 10.216 1.715 6.799 1.00 14.34 H new ATOM 0 HA LYS B 112 8.851 4.216 7.216 1.00 60.23 H new ATOM 0 HB2 LYS B 112 7.764 2.504 5.915 1.00 31.12 H new ATOM 0 HB3 LYS B 112 7.865 1.359 7.237 1.00 31.12 H new ATOM 0 HG2 LYS B 112 6.332 2.769 8.606 1.00 32.42 H new ATOM 0 HG3 LYS B 112 6.268 3.968 7.330 1.00 32.42 H new ATOM 0 HD2 LYS B 112 4.260 2.542 7.275 1.00 4.40 H new ATOM 0 HD3 LYS B 112 5.195 2.340 5.807 1.00 4.40 H new ATOM 0 HE2 LYS B 112 6.244 0.294 6.830 1.00 22.42 H new ATOM 0 HE3 LYS B 112 5.156 0.472 8.193 1.00 22.42 H new ATOM 0 HZ1 LYS B 112 3.470 -0.385 7.049 1.00 34.03 H new ATOM 0 HZ2 LYS B 112 3.803 0.521 5.652 1.00 34.03 H new ATOM 0 HZ3 LYS B 112 4.639 -0.928 5.943 1.00 34.03 H new