USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 917 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 66 ASN : amide:sc= -2.66! C(o=-1.4!,f=-4.2!) USER MOD Set 1.2: A 69 LYS NZ :NH3+ -161:sc= 1.22 (180deg=0.708) USER MOD Set 2.1: A 37 GLN : amide:sc= 0.802 K(o=1.9,f=-2.5) USER MOD Set 2.2: A 72 HIS : no HE2:sc= 1.06 K(o=1.9,f=-6.1!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 CYS SG : rot -158:sc= 0.169 USER MOD Single : A 16 CYS SG : rot 42:sc= 0.0547 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.0296 X(o=-0.03,f=0) USER MOD Single : A 24 TYR OH : rot 180:sc= -0.0123 USER MOD Single : A 27 HIS : no HD1:sc= -0.153 K(o=-0.15,f=-3.1!) USER MOD Single : A 29 HIS : no HD1:sc= -2.94! K(o=-2.9!,f=-0.52) USER MOD Single : A 32 LYS NZ :NH3+ 165:sc= -0.0317 (180deg=-0.273) USER MOD Single : A 34 LYS NZ :NH3+ -174:sc= 0.94 (180deg=0.883) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -77:sc= 1.27 USER MOD Single : A 50 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0535) USER MOD Single : A 63 ASN : amide:sc= 1.25 K(o=1.2,f=-10!) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.00333 USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 GLN : amide:sc= -1.74! C(o=-1.7!,f=-6.5!) USER MOD Single : A 77 SER OG : rot 88:sc= 1.29 USER MOD Single : A 84 ASN : amide:sc= -0.57 K(o=-0.57,f=0) USER MOD Single : A 95 THR OG1 : rot 74:sc= 1.18 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 GLN : amide:sc= 1.05 K(o=1.1,f=-1.1) USER MOD Single : A 101 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0894) USER MOD Single : A 105 GLN : amide:sc= -1.16 K(o=-1.2,f=-0.03) USER MOD Single : A 114 GLN : amide:sc= 0.647 K(o=0.65,f=-0.55) USER MOD Single : A 119 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 4 -10.565 -27.112 -1.316 1.00 0.00 N ATOM 2 CA GLY A 4 -10.555 -26.314 -0.068 1.00 0.00 C ATOM 3 C GLY A 4 -10.697 -24.834 -0.342 1.00 0.00 C ATOM 4 O GLY A 4 -10.806 -24.419 -1.499 1.00 0.00 O ATOM 0 HA2 GLY A 4 -11.368 -26.643 0.579 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.625 -26.495 0.471 1.00 0.00 H new ATOM 10 N ILE A 5 -10.695 -24.035 0.712 1.00 0.00 N ATOM 11 CA ILE A 5 -10.758 -22.589 0.570 1.00 0.00 C ATOM 12 C ILE A 5 -9.358 -22.044 0.318 1.00 0.00 C ATOM 13 O ILE A 5 -8.392 -22.480 0.946 1.00 0.00 O ATOM 14 CB ILE A 5 -11.352 -21.914 1.827 1.00 0.00 C ATOM 15 CG1 ILE A 5 -12.728 -22.501 2.157 1.00 0.00 C ATOM 16 CG2 ILE A 5 -11.448 -20.403 1.644 1.00 0.00 C ATOM 17 CD1 ILE A 5 -13.761 -22.306 1.067 1.00 0.00 C ATOM 0 H ILE A 5 -10.650 -24.363 1.677 1.00 0.00 H new ATOM 0 HA ILE A 5 -11.411 -22.363 -0.273 1.00 0.00 H new ATOM 0 HB ILE A 5 -10.681 -22.113 2.662 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -12.619 -23.568 2.352 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -13.095 -22.044 3.076 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -11.869 -19.954 2.543 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -10.453 -19.994 1.466 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -12.090 -20.180 0.792 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -14.707 -22.750 1.378 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -13.902 -21.240 0.886 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -13.419 -22.787 0.151 1.00 0.00 H new ATOM 29 N ASP A 6 -9.254 -21.112 -0.612 1.00 0.00 N ATOM 30 CA ASP A 6 -7.970 -20.532 -0.979 1.00 0.00 C ATOM 31 C ASP A 6 -7.405 -19.713 0.168 1.00 0.00 C ATOM 32 O ASP A 6 -8.075 -18.834 0.709 1.00 0.00 O ATOM 33 CB ASP A 6 -8.104 -19.653 -2.222 1.00 0.00 C ATOM 34 CG ASP A 6 -8.310 -20.454 -3.491 1.00 0.00 C ATOM 35 OD1 ASP A 6 -9.447 -20.909 -3.738 1.00 0.00 O ATOM 36 OD2 ASP A 6 -7.333 -20.636 -4.249 1.00 0.00 O ATOM 0 H ASP A 6 -10.048 -20.737 -1.131 1.00 0.00 H new ATOM 0 HA ASP A 6 -7.286 -21.351 -1.201 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -8.943 -18.970 -2.089 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -7.208 -19.041 -2.326 1.00 0.00 H new ATOM 41 N PRO A 7 -6.153 -19.998 0.546 1.00 0.00 N ATOM 42 CA PRO A 7 -5.477 -19.317 1.652 1.00 0.00 C ATOM 43 C PRO A 7 -5.143 -17.876 1.303 1.00 0.00 C ATOM 44 O PRO A 7 -4.918 -17.044 2.178 1.00 0.00 O ATOM 45 CB PRO A 7 -4.194 -20.129 1.849 1.00 0.00 C ATOM 46 CG PRO A 7 -3.952 -20.805 0.544 1.00 0.00 C ATOM 47 CD PRO A 7 -5.302 -21.017 -0.086 1.00 0.00 C ATOM 0 HA PRO A 7 -6.099 -19.268 2.546 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -3.358 -19.484 2.119 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -4.308 -20.856 2.653 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -3.317 -20.194 -0.097 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -3.438 -21.755 0.689 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -5.262 -20.889 -1.168 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -5.677 -22.023 0.102 1.00 0.00 H new ATOM 55 N PHE A 8 -5.115 -17.594 0.010 1.00 0.00 N ATOM 56 CA PHE A 8 -4.808 -16.267 -0.478 1.00 0.00 C ATOM 57 C PHE A 8 -5.498 -16.015 -1.804 1.00 0.00 C ATOM 58 O PHE A 8 -5.677 -16.928 -2.613 1.00 0.00 O ATOM 59 CB PHE A 8 -3.300 -16.081 -0.618 1.00 0.00 C ATOM 60 CG PHE A 8 -2.682 -15.365 0.550 1.00 0.00 C ATOM 61 CD1 PHE A 8 -2.914 -14.013 0.740 1.00 0.00 C ATOM 62 CD2 PHE A 8 -1.888 -16.042 1.459 1.00 0.00 C ATOM 63 CE1 PHE A 8 -2.364 -13.348 1.817 1.00 0.00 C ATOM 64 CE2 PHE A 8 -1.332 -15.381 2.537 1.00 0.00 C ATOM 65 CZ PHE A 8 -1.573 -14.033 2.717 1.00 0.00 C ATOM 0 H PHE A 8 -5.304 -18.277 -0.724 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.178 -15.542 0.247 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -2.828 -17.058 -0.728 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -3.092 -15.522 -1.530 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -3.532 -13.473 0.038 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -1.701 -17.097 1.324 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -2.552 -12.294 1.955 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -0.710 -15.917 3.238 1.00 0.00 H new ATOM 0 HZ PHE A 8 -1.143 -13.515 3.562 1.00 0.00 H new ATOM 75 N THR A 9 -5.874 -14.770 -2.014 1.00 0.00 N ATOM 76 CA THR A 9 -6.610 -14.361 -3.189 1.00 0.00 C ATOM 77 C THR A 9 -6.398 -12.870 -3.412 1.00 0.00 C ATOM 78 O THR A 9 -6.634 -12.066 -2.510 1.00 0.00 O ATOM 79 CB THR A 9 -8.116 -14.687 -3.034 1.00 0.00 C ATOM 80 OG1 THR A 9 -8.890 -14.068 -4.073 1.00 0.00 O ATOM 81 CG2 THR A 9 -8.637 -14.252 -1.670 1.00 0.00 C ATOM 0 H THR A 9 -5.674 -14.008 -1.366 1.00 0.00 H new ATOM 0 HA THR A 9 -6.243 -14.911 -4.056 1.00 0.00 H new ATOM 0 HB THR A 9 -8.223 -15.769 -3.118 1.00 0.00 H new ATOM 0 HG1 THR A 9 -9.837 -14.291 -3.953 1.00 0.00 H new ATOM 0 HG21 THR A 9 -9.697 -14.494 -1.591 1.00 0.00 H new ATOM 0 HG22 THR A 9 -8.086 -14.774 -0.887 1.00 0.00 H new ATOM 0 HG23 THR A 9 -8.501 -13.177 -1.555 1.00 0.00 H new ATOM 89 N MET A 10 -5.892 -12.525 -4.593 1.00 0.00 N ATOM 90 CA MET A 10 -5.592 -11.135 -4.943 1.00 0.00 C ATOM 91 C MET A 10 -4.515 -10.582 -4.010 1.00 0.00 C ATOM 92 O MET A 10 -4.757 -9.681 -3.202 1.00 0.00 O ATOM 93 CB MET A 10 -6.858 -10.263 -4.900 1.00 0.00 C ATOM 94 CG MET A 10 -6.633 -8.831 -5.373 1.00 0.00 C ATOM 95 SD MET A 10 -6.012 -8.751 -7.065 1.00 0.00 S ATOM 96 CE MET A 10 -5.754 -6.987 -7.254 1.00 0.00 C ATOM 0 H MET A 10 -5.679 -13.195 -5.332 1.00 0.00 H new ATOM 0 HA MET A 10 -5.215 -11.111 -5.965 1.00 0.00 H new ATOM 0 HB2 MET A 10 -7.627 -10.724 -5.520 1.00 0.00 H new ATOM 0 HB3 MET A 10 -7.240 -10.243 -3.879 1.00 0.00 H new ATOM 0 HG2 MET A 10 -7.570 -8.279 -5.307 1.00 0.00 H new ATOM 0 HG3 MET A 10 -5.925 -8.339 -4.706 1.00 0.00 H new ATOM 0 HE1 MET A 10 -5.370 -6.780 -8.253 1.00 0.00 H new ATOM 0 HE2 MET A 10 -6.700 -6.464 -7.113 1.00 0.00 H new ATOM 0 HE3 MET A 10 -5.035 -6.643 -6.511 1.00 0.00 H new ATOM 106 N LEU A 11 -3.328 -11.153 -4.119 1.00 0.00 N ATOM 107 CA LEU A 11 -2.204 -10.758 -3.290 1.00 0.00 C ATOM 108 C LEU A 11 -1.530 -9.507 -3.850 1.00 0.00 C ATOM 109 O LEU A 11 -1.348 -9.371 -5.058 1.00 0.00 O ATOM 110 CB LEU A 11 -1.220 -11.923 -3.163 1.00 0.00 C ATOM 111 CG LEU A 11 -0.913 -12.668 -4.458 1.00 0.00 C ATOM 112 CD1 LEU A 11 0.399 -12.193 -5.057 1.00 0.00 C ATOM 113 CD2 LEU A 11 -0.891 -14.164 -4.200 1.00 0.00 C ATOM 0 H LEU A 11 -3.117 -11.900 -4.781 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.566 -10.508 -2.293 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.285 -11.542 -2.753 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.619 -12.635 -2.440 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.699 -12.454 -5.183 1.00 0.00 H new ATOM 0 HD11 LEU A 11 0.596 -12.739 -5.980 1.00 0.00 H new ATOM 0 HD12 LEU A 11 0.335 -11.126 -5.273 1.00 0.00 H new ATOM 0 HD13 LEU A 11 1.208 -12.372 -4.349 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.671 -14.690 -5.129 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.123 -14.395 -3.462 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.863 -14.483 -3.824 1.00 0.00 H new ATOM 125 N PRO A 12 -1.162 -8.574 -2.958 1.00 0.00 N ATOM 126 CA PRO A 12 -0.625 -7.268 -3.341 1.00 0.00 C ATOM 127 C PRO A 12 0.798 -7.327 -3.882 1.00 0.00 C ATOM 128 O PRO A 12 1.483 -8.353 -3.805 1.00 0.00 O ATOM 129 CB PRO A 12 -0.648 -6.483 -2.035 1.00 0.00 C ATOM 130 CG PRO A 12 -0.516 -7.516 -0.979 1.00 0.00 C ATOM 131 CD PRO A 12 -1.247 -8.723 -1.495 1.00 0.00 C ATOM 0 HA PRO A 12 -1.209 -6.828 -4.149 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.169 -5.763 -1.990 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -1.575 -5.920 -1.926 1.00 0.00 H new ATOM 0 HG2 PRO A 12 0.532 -7.746 -0.786 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.945 -7.171 -0.038 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -0.782 -9.649 -1.158 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -2.282 -8.743 -1.153 1.00 0.00 H new ATOM 139 N ARG A 13 1.240 -6.200 -4.403 1.00 0.00 N ATOM 140 CA ARG A 13 2.561 -6.086 -4.986 1.00 0.00 C ATOM 141 C ARG A 13 3.158 -4.743 -4.584 1.00 0.00 C ATOM 142 O ARG A 13 2.422 -3.815 -4.252 1.00 0.00 O ATOM 143 CB ARG A 13 2.468 -6.192 -6.513 1.00 0.00 C ATOM 144 CG ARG A 13 3.695 -6.813 -7.167 1.00 0.00 C ATOM 145 CD ARG A 13 3.615 -8.336 -7.200 1.00 0.00 C ATOM 146 NE ARG A 13 3.425 -8.921 -5.871 1.00 0.00 N ATOM 147 CZ ARG A 13 4.154 -9.930 -5.390 1.00 0.00 C ATOM 148 NH1 ARG A 13 5.119 -10.470 -6.126 1.00 0.00 N ATOM 149 NH2 ARG A 13 3.901 -10.407 -4.176 1.00 0.00 N ATOM 0 H ARG A 13 0.694 -5.339 -4.434 1.00 0.00 H new ATOM 0 HA ARG A 13 3.199 -6.892 -4.624 1.00 0.00 H new ATOM 0 HB2 ARG A 13 1.591 -6.785 -6.773 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.313 -5.196 -6.927 1.00 0.00 H new ATOM 0 HG2 ARG A 13 3.795 -6.433 -8.184 1.00 0.00 H new ATOM 0 HG3 ARG A 13 4.589 -6.508 -6.623 1.00 0.00 H new ATOM 0 HD2 ARG A 13 2.791 -8.639 -7.847 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.529 -8.734 -7.640 1.00 0.00 H new ATOM 0 HE ARG A 13 2.691 -8.534 -5.277 1.00 0.00 H new ATOM 0 HH11 ARG A 13 5.306 -10.114 -7.063 1.00 0.00 H new ATOM 0 HH12 ARG A 13 5.673 -11.241 -5.754 1.00 0.00 H new ATOM 0 HH21 ARG A 13 3.152 -10.002 -3.615 1.00 0.00 H new ATOM 0 HH22 ARG A 13 4.456 -11.178 -3.805 1.00 0.00 H new ATOM 163 N LEU A 14 4.479 -4.640 -4.598 1.00 0.00 N ATOM 164 CA LEU A 14 5.132 -3.391 -4.249 1.00 0.00 C ATOM 165 C LEU A 14 5.182 -2.483 -5.466 1.00 0.00 C ATOM 166 O LEU A 14 5.788 -2.822 -6.486 1.00 0.00 O ATOM 167 CB LEU A 14 6.546 -3.643 -3.727 1.00 0.00 C ATOM 168 CG LEU A 14 7.254 -2.413 -3.161 1.00 0.00 C ATOM 169 CD1 LEU A 14 6.569 -1.930 -1.889 1.00 0.00 C ATOM 170 CD2 LEU A 14 8.720 -2.718 -2.904 1.00 0.00 C ATOM 0 H LEU A 14 5.113 -5.400 -4.845 1.00 0.00 H new ATOM 0 HA LEU A 14 4.558 -2.908 -3.458 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.500 -4.406 -2.950 1.00 0.00 H new ATOM 0 HB3 LEU A 14 7.150 -4.050 -4.538 1.00 0.00 H new ATOM 0 HG LEU A 14 7.194 -1.612 -3.898 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.091 -1.054 -1.505 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.534 -1.668 -2.110 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.591 -2.722 -1.141 1.00 0.00 H new ATOM 0 HD21 LEU A 14 9.211 -1.832 -2.501 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.801 -3.535 -2.188 1.00 0.00 H new ATOM 0 HD23 LEU A 14 9.201 -3.006 -3.839 1.00 0.00 H new ATOM 182 N CYS A 15 4.532 -1.341 -5.357 1.00 0.00 N ATOM 183 CA CYS A 15 4.454 -0.399 -6.453 1.00 0.00 C ATOM 184 C CYS A 15 5.555 0.646 -6.326 1.00 0.00 C ATOM 185 O CYS A 15 5.544 1.465 -5.406 1.00 0.00 O ATOM 186 CB CYS A 15 3.082 0.277 -6.453 1.00 0.00 C ATOM 187 SG CYS A 15 1.690 -0.881 -6.426 1.00 0.00 S ATOM 0 H CYS A 15 4.046 -1.042 -4.511 1.00 0.00 H new ATOM 0 HA CYS A 15 4.589 -0.933 -7.394 1.00 0.00 H new ATOM 0 HB2 CYS A 15 3.012 0.934 -5.586 1.00 0.00 H new ATOM 0 HB3 CYS A 15 2.999 0.908 -7.338 1.00 0.00 H new ATOM 0 HG CYS A 15 0.625 -0.290 -6.882 1.00 0.00 H new ATOM 193 N CYS A 16 6.519 0.602 -7.233 1.00 0.00 N ATOM 194 CA CYS A 16 7.611 1.558 -7.217 1.00 0.00 C ATOM 195 C CYS A 16 7.371 2.648 -8.254 1.00 0.00 C ATOM 196 O CYS A 16 7.410 2.400 -9.461 1.00 0.00 O ATOM 197 CB CYS A 16 8.948 0.848 -7.464 1.00 0.00 C ATOM 198 SG CYS A 16 8.937 -0.299 -8.863 1.00 0.00 S ATOM 0 H CYS A 16 6.566 -0.084 -7.986 1.00 0.00 H new ATOM 0 HA CYS A 16 7.655 2.026 -6.234 1.00 0.00 H new ATOM 0 HB2 CYS A 16 9.719 1.600 -7.632 1.00 0.00 H new ATOM 0 HB3 CYS A 16 9.227 0.301 -6.563 1.00 0.00 H new ATOM 0 HG CYS A 16 8.285 0.232 -9.854 1.00 0.00 H new ATOM 204 N LEU A 17 7.109 3.850 -7.773 1.00 0.00 N ATOM 205 CA LEU A 17 6.816 4.977 -8.642 1.00 0.00 C ATOM 206 C LEU A 17 7.878 6.050 -8.493 1.00 0.00 C ATOM 207 O LEU A 17 8.421 6.259 -7.406 1.00 0.00 O ATOM 208 CB LEU A 17 5.426 5.555 -8.355 1.00 0.00 C ATOM 209 CG LEU A 17 5.028 5.601 -6.881 1.00 0.00 C ATOM 210 CD1 LEU A 17 4.168 6.818 -6.607 1.00 0.00 C ATOM 211 CD2 LEU A 17 4.291 4.330 -6.481 1.00 0.00 C ATOM 0 H LEU A 17 7.093 4.072 -6.778 1.00 0.00 H new ATOM 0 HA LEU A 17 6.822 4.617 -9.671 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.382 6.567 -8.758 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.687 4.964 -8.895 1.00 0.00 H new ATOM 0 HG LEU A 17 5.936 5.672 -6.282 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.892 6.838 -5.553 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.727 7.721 -6.853 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.266 6.771 -7.218 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.017 4.384 -5.427 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.390 4.226 -7.085 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.938 3.468 -6.644 1.00 0.00 H new ATOM 223 N GLU A 18 8.152 6.734 -9.587 1.00 0.00 N ATOM 224 CA GLU A 18 9.271 7.657 -9.662 1.00 0.00 C ATOM 225 C GLU A 18 8.763 9.088 -9.756 1.00 0.00 C ATOM 226 O GLU A 18 7.760 9.351 -10.410 1.00 0.00 O ATOM 227 CB GLU A 18 10.128 7.306 -10.879 1.00 0.00 C ATOM 228 CG GLU A 18 10.490 5.829 -10.940 1.00 0.00 C ATOM 229 CD GLU A 18 11.164 5.434 -12.236 1.00 0.00 C ATOM 230 OE1 GLU A 18 10.684 5.851 -13.309 1.00 0.00 O ATOM 231 OE2 GLU A 18 12.177 4.704 -12.187 1.00 0.00 O ATOM 0 H GLU A 18 7.608 6.667 -10.447 1.00 0.00 H new ATOM 0 HA GLU A 18 9.879 7.573 -8.761 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.592 7.582 -11.787 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.042 7.899 -10.857 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.150 5.589 -10.107 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.586 5.234 -10.812 1.00 0.00 H new ATOM 238 N LYS A 19 9.447 10.000 -9.090 1.00 0.00 N ATOM 239 CA LYS A 19 9.025 11.391 -9.053 1.00 0.00 C ATOM 240 C LYS A 19 9.167 12.046 -10.420 1.00 0.00 C ATOM 241 O LYS A 19 10.267 12.129 -10.972 1.00 0.00 O ATOM 242 CB LYS A 19 9.828 12.172 -8.013 1.00 0.00 C ATOM 243 CG LYS A 19 9.366 13.612 -7.851 1.00 0.00 C ATOM 244 CD LYS A 19 10.247 14.375 -6.878 1.00 0.00 C ATOM 245 CE LYS A 19 9.921 14.005 -5.446 1.00 0.00 C ATOM 246 NZ LYS A 19 10.690 14.821 -4.472 1.00 0.00 N ATOM 0 H LYS A 19 10.299 9.803 -8.566 1.00 0.00 H new ATOM 0 HA LYS A 19 7.972 11.409 -8.772 1.00 0.00 H new ATOM 0 HB2 LYS A 19 9.754 11.664 -7.051 1.00 0.00 H new ATOM 0 HB3 LYS A 19 10.880 12.165 -8.297 1.00 0.00 H new ATOM 0 HG2 LYS A 19 9.378 14.110 -8.821 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.335 13.626 -7.498 1.00 0.00 H new ATOM 0 HD2 LYS A 19 11.295 14.158 -7.084 1.00 0.00 H new ATOM 0 HD3 LYS A 19 10.109 15.447 -7.021 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.854 14.141 -5.270 1.00 0.00 H new ATOM 0 HE3 LYS A 19 10.138 12.949 -5.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.437 14.536 -3.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 11.708 14.672 -4.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.464 15.827 -4.607 1.00 0.00 H new ATOM 260 N GLY A 20 8.046 12.509 -10.947 1.00 0.00 N ATOM 261 CA GLY A 20 8.033 13.181 -12.223 1.00 0.00 C ATOM 262 C GLY A 20 8.059 14.689 -12.078 1.00 0.00 C ATOM 263 O GLY A 20 8.606 15.213 -11.107 1.00 0.00 O ATOM 0 H GLY A 20 7.131 12.428 -10.503 1.00 0.00 H new ATOM 0 HA2 GLY A 20 8.894 12.860 -12.809 1.00 0.00 H new ATOM 0 HA3 GLY A 20 7.142 12.887 -12.777 1.00 0.00 H new ATOM 267 N PRO A 21 7.448 15.413 -13.022 1.00 0.00 N ATOM 268 CA PRO A 21 7.443 16.879 -13.024 1.00 0.00 C ATOM 269 C PRO A 21 6.657 17.461 -11.853 1.00 0.00 C ATOM 270 O PRO A 21 6.936 18.568 -11.394 1.00 0.00 O ATOM 271 CB PRO A 21 6.761 17.229 -14.348 1.00 0.00 C ATOM 272 CG PRO A 21 5.911 16.046 -14.641 1.00 0.00 C ATOM 273 CD PRO A 21 6.698 14.864 -14.163 1.00 0.00 C ATOM 0 HA PRO A 21 8.448 17.288 -12.923 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.164 18.137 -14.261 1.00 0.00 H new ATOM 0 HB3 PRO A 21 7.491 17.401 -15.139 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.952 16.114 -14.127 1.00 0.00 H new ATOM 0 HG3 PRO A 21 5.696 15.970 -15.707 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.050 14.041 -13.863 1.00 0.00 H new ATOM 0 HD3 PRO A 21 7.363 14.480 -14.937 1.00 0.00 H new ATOM 281 N ASN A 22 5.678 16.709 -11.364 1.00 0.00 N ATOM 282 CA ASN A 22 4.825 17.186 -10.280 1.00 0.00 C ATOM 283 C ASN A 22 4.683 16.119 -9.205 1.00 0.00 C ATOM 284 O ASN A 22 3.570 15.738 -8.832 1.00 0.00 O ATOM 285 CB ASN A 22 3.439 17.587 -10.796 1.00 0.00 C ATOM 286 CG ASN A 22 3.493 18.704 -11.818 1.00 0.00 C ATOM 287 OD1 ASN A 22 3.532 19.883 -11.470 1.00 0.00 O ATOM 288 ND2 ASN A 22 3.467 18.341 -13.089 1.00 0.00 N ATOM 0 H ASN A 22 5.455 15.771 -11.698 1.00 0.00 H new ATOM 0 HA ASN A 22 5.301 18.068 -9.851 1.00 0.00 H new ATOM 0 HB2 ASN A 22 2.956 16.717 -11.241 1.00 0.00 H new ATOM 0 HB3 ASN A 22 2.820 17.900 -9.955 1.00 0.00 H new ATOM 0 HD21 ASN A 22 3.479 19.050 -13.822 1.00 0.00 H new ATOM 0 HD22 ASN A 22 3.435 17.352 -13.336 1.00 0.00 H new ATOM 295 N GLY A 23 5.814 15.626 -8.729 1.00 0.00 N ATOM 296 CA GLY A 23 5.805 14.641 -7.671 1.00 0.00 C ATOM 297 C GLY A 23 5.494 13.251 -8.179 1.00 0.00 C ATOM 298 O GLY A 23 6.197 12.736 -9.042 1.00 0.00 O ATOM 0 H GLY A 23 6.742 15.892 -9.058 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.776 14.635 -7.176 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.067 14.924 -6.921 1.00 0.00 H new ATOM 302 N TYR A 24 4.441 12.639 -7.664 1.00 0.00 N ATOM 303 CA TYR A 24 4.178 11.244 -7.977 1.00 0.00 C ATOM 304 C TYR A 24 2.800 11.016 -8.589 1.00 0.00 C ATOM 305 O TYR A 24 2.615 10.067 -9.350 1.00 0.00 O ATOM 306 CB TYR A 24 4.356 10.379 -6.732 1.00 0.00 C ATOM 307 CG TYR A 24 5.770 10.389 -6.195 1.00 0.00 C ATOM 308 CD1 TYR A 24 6.174 11.331 -5.255 1.00 0.00 C ATOM 309 CD2 TYR A 24 6.705 9.469 -6.645 1.00 0.00 C ATOM 310 CE1 TYR A 24 7.473 11.353 -4.782 1.00 0.00 C ATOM 311 CE2 TYR A 24 8.001 9.480 -6.173 1.00 0.00 C ATOM 312 CZ TYR A 24 8.382 10.425 -5.245 1.00 0.00 C ATOM 313 OH TYR A 24 9.681 10.446 -4.784 1.00 0.00 O ATOM 0 H TYR A 24 3.765 13.076 -7.038 1.00 0.00 H new ATOM 0 HA TYR A 24 4.906 10.952 -8.733 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.677 10.729 -5.955 1.00 0.00 H new ATOM 0 HB3 TYR A 24 4.071 9.353 -6.967 1.00 0.00 H new ATOM 0 HD1 TYR A 24 5.462 12.056 -4.889 1.00 0.00 H new ATOM 0 HD2 TYR A 24 6.413 8.731 -7.378 1.00 0.00 H new ATOM 0 HE1 TYR A 24 7.774 12.092 -4.054 1.00 0.00 H new ATOM 0 HE2 TYR A 24 8.714 8.751 -6.529 1.00 0.00 H new ATOM 0 HH TYR A 24 10.191 9.725 -5.209 1.00 0.00 H new ATOM 323 N GLY A 25 1.834 11.873 -8.270 1.00 0.00 N ATOM 324 CA GLY A 25 0.523 11.734 -8.857 1.00 0.00 C ATOM 325 C GLY A 25 -0.438 10.939 -7.997 1.00 0.00 C ATOM 326 O GLY A 25 -1.350 10.298 -8.514 1.00 0.00 O ATOM 0 H GLY A 25 1.939 12.653 -7.621 1.00 0.00 H new ATOM 0 HA2 GLY A 25 0.105 12.725 -9.035 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.617 11.248 -9.828 1.00 0.00 H new ATOM 330 N PHE A 26 -0.257 10.981 -6.685 1.00 0.00 N ATOM 331 CA PHE A 26 -1.176 10.298 -5.788 1.00 0.00 C ATOM 332 C PHE A 26 -1.423 11.139 -4.543 1.00 0.00 C ATOM 333 O PHE A 26 -0.529 11.836 -4.060 1.00 0.00 O ATOM 334 CB PHE A 26 -0.652 8.905 -5.403 1.00 0.00 C ATOM 335 CG PHE A 26 0.437 8.916 -4.365 1.00 0.00 C ATOM 336 CD1 PHE A 26 1.743 9.224 -4.709 1.00 0.00 C ATOM 337 CD2 PHE A 26 0.148 8.613 -3.043 1.00 0.00 C ATOM 338 CE1 PHE A 26 2.740 9.234 -3.751 1.00 0.00 C ATOM 339 CE2 PHE A 26 1.140 8.623 -2.084 1.00 0.00 C ATOM 340 CZ PHE A 26 2.438 8.932 -2.438 1.00 0.00 C ATOM 0 H PHE A 26 0.507 11.474 -6.223 1.00 0.00 H new ATOM 0 HA PHE A 26 -2.121 10.163 -6.314 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -1.484 8.307 -5.033 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.278 8.410 -6.299 1.00 0.00 H new ATOM 0 HD1 PHE A 26 1.985 9.459 -5.735 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -0.865 8.366 -2.761 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.755 9.478 -4.030 1.00 0.00 H new ATOM 0 HE2 PHE A 26 0.901 8.389 -1.057 1.00 0.00 H new ATOM 0 HZ PHE A 26 3.216 8.938 -1.689 1.00 0.00 H new ATOM 350 N HIS A 27 -2.654 11.099 -4.060 1.00 0.00 N ATOM 351 CA HIS A 27 -3.043 11.832 -2.861 1.00 0.00 C ATOM 352 C HIS A 27 -3.760 10.882 -1.908 1.00 0.00 C ATOM 353 O HIS A 27 -4.497 10.006 -2.353 1.00 0.00 O ATOM 354 CB HIS A 27 -3.945 13.021 -3.230 1.00 0.00 C ATOM 355 CG HIS A 27 -3.283 14.016 -4.145 1.00 0.00 C ATOM 356 ND1 HIS A 27 -2.814 15.242 -3.727 1.00 0.00 N ATOM 357 CD2 HIS A 27 -2.997 13.943 -5.469 1.00 0.00 C ATOM 358 CE1 HIS A 27 -2.267 15.875 -4.752 1.00 0.00 C ATOM 359 NE2 HIS A 27 -2.364 15.106 -5.820 1.00 0.00 N ATOM 0 H HIS A 27 -3.410 10.561 -4.484 1.00 0.00 H new ATOM 0 HA HIS A 27 -2.155 12.228 -2.369 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.850 12.646 -3.708 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -4.254 13.529 -2.317 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -3.227 13.118 -6.127 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -1.817 16.856 -4.720 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -2.024 15.339 -6.753 1.00 0.00 H new ATOM 368 N LEU A 28 -3.546 11.047 -0.609 1.00 0.00 N ATOM 369 CA LEU A 28 -4.080 10.106 0.372 1.00 0.00 C ATOM 370 C LEU A 28 -5.148 10.742 1.248 1.00 0.00 C ATOM 371 O LEU A 28 -5.121 11.941 1.515 1.00 0.00 O ATOM 372 CB LEU A 28 -2.956 9.562 1.254 1.00 0.00 C ATOM 373 CG LEU A 28 -2.018 8.580 0.562 1.00 0.00 C ATOM 374 CD1 LEU A 28 -0.663 8.570 1.252 1.00 0.00 C ATOM 375 CD2 LEU A 28 -2.612 7.184 0.565 1.00 0.00 C ATOM 0 H LEU A 28 -3.010 11.818 -0.210 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.540 9.289 -0.184 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.369 10.401 1.629 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.399 9.071 2.120 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.886 8.901 -0.471 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.003 7.864 0.747 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.227 9.568 1.211 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.787 8.271 2.293 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.928 6.497 0.067 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.769 6.858 1.593 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.566 7.193 0.037 1.00 0.00 H new ATOM 387 N HIS A 29 -6.082 9.920 1.696 1.00 0.00 N ATOM 388 CA HIS A 29 -7.131 10.358 2.605 1.00 0.00 C ATOM 389 C HIS A 29 -7.287 9.339 3.721 1.00 0.00 C ATOM 390 O HIS A 29 -7.129 8.138 3.497 1.00 0.00 O ATOM 391 CB HIS A 29 -8.470 10.562 1.869 1.00 0.00 C ATOM 392 CG HIS A 29 -9.084 9.311 1.305 1.00 0.00 C ATOM 393 ND1 HIS A 29 -10.435 9.043 1.366 1.00 0.00 N ATOM 394 CD2 HIS A 29 -8.529 8.268 0.645 1.00 0.00 C ATOM 395 CE1 HIS A 29 -10.680 7.888 0.775 1.00 0.00 C ATOM 396 NE2 HIS A 29 -9.541 7.401 0.328 1.00 0.00 N ATOM 0 H HIS A 29 -6.136 8.934 1.442 1.00 0.00 H new ATOM 0 HA HIS A 29 -6.843 11.321 3.027 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -9.180 11.018 2.559 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -8.316 11.271 1.056 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -7.482 8.142 0.411 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -11.649 7.422 0.675 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -9.430 6.520 -0.174 1.00 0.00 H new ATOM 405 N GLY A 30 -7.572 9.818 4.916 1.00 0.00 N ATOM 406 CA GLY A 30 -7.761 8.930 6.038 1.00 0.00 C ATOM 407 C GLY A 30 -9.199 8.895 6.487 1.00 0.00 C ATOM 408 O GLY A 30 -9.736 9.912 6.929 1.00 0.00 O ATOM 0 H GLY A 30 -7.676 10.810 5.131 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -7.441 7.925 5.764 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.129 9.251 6.866 1.00 0.00 H new ATOM 412 N GLU A 31 -9.834 7.735 6.344 1.00 0.00 N ATOM 413 CA GLU A 31 -11.203 7.549 6.802 1.00 0.00 C ATOM 414 C GLU A 31 -11.313 7.898 8.278 1.00 0.00 C ATOM 415 O GLU A 31 -10.571 7.366 9.108 1.00 0.00 O ATOM 416 CB GLU A 31 -11.653 6.104 6.590 1.00 0.00 C ATOM 417 CG GLU A 31 -11.906 5.724 5.143 1.00 0.00 C ATOM 418 CD GLU A 31 -12.562 4.363 5.027 1.00 0.00 C ATOM 419 OE1 GLU A 31 -13.758 4.245 5.377 1.00 0.00 O ATOM 420 OE2 GLU A 31 -11.887 3.400 4.613 1.00 0.00 O ATOM 0 H GLU A 31 -9.419 6.909 5.913 1.00 0.00 H new ATOM 0 HA GLU A 31 -11.847 8.209 6.221 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -10.893 5.438 6.999 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -12.566 5.935 7.161 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -12.542 6.476 4.675 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.962 5.721 4.597 1.00 0.00 H new ATOM 427 N LYS A 32 -12.227 8.796 8.602 1.00 0.00 N ATOM 428 CA LYS A 32 -12.380 9.243 9.973 1.00 0.00 C ATOM 429 C LYS A 32 -12.899 8.102 10.833 1.00 0.00 C ATOM 430 O LYS A 32 -13.824 7.389 10.446 1.00 0.00 O ATOM 431 CB LYS A 32 -13.321 10.442 10.061 1.00 0.00 C ATOM 432 CG LYS A 32 -13.101 11.268 11.317 1.00 0.00 C ATOM 433 CD LYS A 32 -11.751 11.972 11.278 1.00 0.00 C ATOM 434 CE LYS A 32 -11.445 12.691 12.580 1.00 0.00 C ATOM 435 NZ LYS A 32 -11.334 11.745 13.721 1.00 0.00 N ATOM 0 H LYS A 32 -12.870 9.227 7.938 1.00 0.00 H new ATOM 0 HA LYS A 32 -11.403 9.556 10.342 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -13.179 11.075 9.185 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -14.353 10.092 10.037 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -13.897 12.006 11.415 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -13.154 10.623 12.194 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.968 11.242 11.074 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.740 12.689 10.457 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.513 13.247 12.477 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -12.230 13.419 12.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -10.882 12.224 14.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -12.283 11.422 13.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.759 10.926 13.438 1.00 0.00 H new ATOM 449 N GLY A 33 -12.282 7.924 11.988 1.00 0.00 N ATOM 450 CA GLY A 33 -12.610 6.800 12.839 1.00 0.00 C ATOM 451 C GLY A 33 -11.700 5.616 12.580 1.00 0.00 C ATOM 452 O GLY A 33 -11.632 4.682 13.381 1.00 0.00 O ATOM 0 H GLY A 33 -11.556 8.540 12.354 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -12.529 7.099 13.884 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -13.646 6.506 12.671 1.00 0.00 H new ATOM 456 N LYS A 34 -10.996 5.656 11.455 1.00 0.00 N ATOM 457 CA LYS A 34 -10.047 4.608 11.102 1.00 0.00 C ATOM 458 C LYS A 34 -8.627 5.070 11.412 1.00 0.00 C ATOM 459 O LYS A 34 -8.420 6.201 11.849 1.00 0.00 O ATOM 460 CB LYS A 34 -10.164 4.220 9.622 1.00 0.00 C ATOM 461 CG LYS A 34 -11.403 3.395 9.280 1.00 0.00 C ATOM 462 CD LYS A 34 -12.674 4.231 9.313 1.00 0.00 C ATOM 463 CE LYS A 34 -13.910 3.394 9.024 1.00 0.00 C ATOM 464 NZ LYS A 34 -13.850 2.746 7.685 1.00 0.00 N ATOM 0 H LYS A 34 -11.065 6.407 10.769 1.00 0.00 H new ATOM 0 HA LYS A 34 -10.281 3.725 11.697 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -10.171 5.129 9.021 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.277 3.655 9.336 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.284 2.956 8.289 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -11.494 2.569 9.986 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -12.774 4.701 10.291 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -12.600 5.034 8.580 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -14.016 2.628 9.792 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -14.796 4.026 9.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -14.754 2.270 7.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.674 3.468 6.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -13.081 2.046 7.672 1.00 0.00 H new ATOM 478 N LEU A 35 -7.655 4.200 11.172 1.00 0.00 N ATOM 479 CA LEU A 35 -6.276 4.467 11.563 1.00 0.00 C ATOM 480 C LEU A 35 -5.301 4.238 10.411 1.00 0.00 C ATOM 481 O LEU A 35 -4.124 3.968 10.633 1.00 0.00 O ATOM 482 CB LEU A 35 -5.912 3.580 12.763 1.00 0.00 C ATOM 483 CG LEU A 35 -6.402 2.124 12.680 1.00 0.00 C ATOM 484 CD1 LEU A 35 -5.585 1.309 11.686 1.00 0.00 C ATOM 485 CD2 LEU A 35 -6.368 1.473 14.052 1.00 0.00 C ATOM 0 H LEU A 35 -7.795 3.303 10.708 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.195 5.518 11.842 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.828 3.575 12.874 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -6.322 4.033 13.666 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.432 2.144 12.323 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.962 0.287 11.657 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.668 1.755 10.695 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.540 1.301 11.994 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.718 0.444 13.975 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.347 1.482 14.434 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.015 2.026 14.733 1.00 0.00 H new ATOM 497 N GLY A 36 -5.789 4.355 9.185 1.00 0.00 N ATOM 498 CA GLY A 36 -4.943 4.096 8.037 1.00 0.00 C ATOM 499 C GLY A 36 -5.164 5.082 6.909 1.00 0.00 C ATOM 500 O GLY A 36 -6.146 5.829 6.909 1.00 0.00 O ATOM 0 H GLY A 36 -6.748 4.623 8.965 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.898 4.133 8.346 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -5.132 3.086 7.673 1.00 0.00 H new ATOM 504 N GLN A 37 -4.250 5.085 5.947 1.00 0.00 N ATOM 505 CA GLN A 37 -4.348 5.969 4.798 1.00 0.00 C ATOM 506 C GLN A 37 -4.800 5.197 3.565 1.00 0.00 C ATOM 507 O GLN A 37 -4.333 4.087 3.305 1.00 0.00 O ATOM 508 CB GLN A 37 -3.000 6.634 4.519 1.00 0.00 C ATOM 509 CG GLN A 37 -2.520 7.563 5.620 1.00 0.00 C ATOM 510 CD GLN A 37 -3.413 8.775 5.802 1.00 0.00 C ATOM 511 OE1 GLN A 37 -3.230 9.801 5.144 1.00 0.00 O ATOM 512 NE2 GLN A 37 -4.375 8.676 6.704 1.00 0.00 N ATOM 0 H GLN A 37 -3.429 4.480 5.942 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.086 6.738 5.025 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.251 5.858 4.363 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -3.072 7.199 3.589 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.470 7.011 6.558 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.507 7.895 5.392 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.495 7.810 7.229 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.997 9.466 6.875 1.00 0.00 H new ATOM 521 N TYR A 38 -5.711 5.788 2.814 1.00 0.00 N ATOM 522 CA TYR A 38 -6.207 5.188 1.585 1.00 0.00 C ATOM 523 C TYR A 38 -5.945 6.127 0.419 1.00 0.00 C ATOM 524 O TYR A 38 -5.776 7.333 0.615 1.00 0.00 O ATOM 525 CB TYR A 38 -7.707 4.904 1.701 1.00 0.00 C ATOM 526 CG TYR A 38 -8.072 3.967 2.829 1.00 0.00 C ATOM 527 CD1 TYR A 38 -8.081 2.595 2.635 1.00 0.00 C ATOM 528 CD2 TYR A 38 -8.403 4.455 4.090 1.00 0.00 C ATOM 529 CE1 TYR A 38 -8.408 1.732 3.661 1.00 0.00 C ATOM 530 CE2 TYR A 38 -8.733 3.596 5.123 1.00 0.00 C ATOM 531 CZ TYR A 38 -8.730 2.235 4.901 1.00 0.00 C ATOM 532 OH TYR A 38 -9.050 1.372 5.922 1.00 0.00 O ATOM 0 H TYR A 38 -6.127 6.693 3.035 1.00 0.00 H new ATOM 0 HA TYR A 38 -5.687 4.246 1.414 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -8.235 5.847 1.841 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -8.059 4.479 0.761 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -7.828 2.194 1.665 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -8.402 5.521 4.265 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -8.411 0.665 3.491 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -8.991 3.988 6.096 1.00 0.00 H new ATOM 0 HH TYR A 38 -9.251 1.885 6.733 1.00 0.00 H new ATOM 542 N ILE A 39 -5.899 5.581 -0.787 1.00 0.00 N ATOM 543 CA ILE A 39 -5.669 6.385 -1.981 1.00 0.00 C ATOM 544 C ILE A 39 -6.900 7.238 -2.289 1.00 0.00 C ATOM 545 O ILE A 39 -7.965 6.708 -2.597 1.00 0.00 O ATOM 546 CB ILE A 39 -5.350 5.501 -3.206 1.00 0.00 C ATOM 547 CG1 ILE A 39 -4.153 4.580 -2.930 1.00 0.00 C ATOM 548 CG2 ILE A 39 -5.084 6.371 -4.427 1.00 0.00 C ATOM 549 CD1 ILE A 39 -2.823 5.298 -2.854 1.00 0.00 C ATOM 0 H ILE A 39 -6.018 4.584 -0.966 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.811 7.027 -1.782 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.217 4.870 -3.405 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.323 4.053 -1.991 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.101 3.825 -3.714 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.860 5.736 -5.284 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.966 6.975 -4.643 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.235 7.026 -4.229 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.031 4.576 -2.656 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.627 5.802 -3.800 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.852 6.034 -2.050 1.00 0.00 H new ATOM 561 N ARG A 40 -6.749 8.556 -2.195 1.00 0.00 N ATOM 562 CA ARG A 40 -7.850 9.479 -2.456 1.00 0.00 C ATOM 563 C ARG A 40 -7.933 9.763 -3.946 1.00 0.00 C ATOM 564 O ARG A 40 -9.013 9.787 -4.528 1.00 0.00 O ATOM 565 CB ARG A 40 -7.644 10.791 -1.675 1.00 0.00 C ATOM 566 CG ARG A 40 -8.907 11.637 -1.503 1.00 0.00 C ATOM 567 CD ARG A 40 -9.262 12.434 -2.754 1.00 0.00 C ATOM 568 NE ARG A 40 -8.310 13.517 -3.016 1.00 0.00 N ATOM 569 CZ ARG A 40 -8.320 14.266 -4.122 1.00 0.00 C ATOM 570 NH1 ARG A 40 -9.256 14.084 -5.043 1.00 0.00 N ATOM 571 NH2 ARG A 40 -7.413 15.217 -4.293 1.00 0.00 N ATOM 0 H ARG A 40 -5.872 9.010 -1.939 1.00 0.00 H new ATOM 0 HA ARG A 40 -8.783 9.024 -2.125 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.246 10.552 -0.689 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.890 11.388 -2.187 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.742 10.986 -1.244 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.767 12.324 -0.668 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -9.290 11.763 -3.613 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.262 12.852 -2.643 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.598 13.710 -2.312 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -9.972 13.370 -4.908 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -9.260 14.658 -5.886 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -6.703 15.379 -3.578 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -7.424 15.786 -5.139 1.00 0.00 H new ATOM 585 N LEU A 41 -6.780 9.976 -4.557 1.00 0.00 N ATOM 586 CA LEU A 41 -6.724 10.287 -5.972 1.00 0.00 C ATOM 587 C LEU A 41 -5.445 9.776 -6.600 1.00 0.00 C ATOM 588 O LEU A 41 -4.374 9.819 -5.989 1.00 0.00 O ATOM 589 CB LEU A 41 -6.810 11.795 -6.202 1.00 0.00 C ATOM 590 CG LEU A 41 -6.622 12.232 -7.657 1.00 0.00 C ATOM 591 CD1 LEU A 41 -7.843 11.881 -8.488 1.00 0.00 C ATOM 592 CD2 LEU A 41 -6.314 13.714 -7.738 1.00 0.00 C ATOM 0 H LEU A 41 -5.872 9.939 -4.094 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.576 9.793 -6.438 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.781 12.147 -5.854 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.054 12.286 -5.589 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.771 11.690 -8.068 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.686 12.201 -9.518 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -8.002 10.803 -8.463 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.718 12.387 -8.080 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.184 14.002 -8.781 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.138 14.281 -7.305 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.398 13.926 -7.187 1.00 0.00 H new ATOM 604 N VAL A 42 -5.577 9.289 -7.819 1.00 0.00 N ATOM 605 CA VAL A 42 -4.440 9.006 -8.664 1.00 0.00 C ATOM 606 C VAL A 42 -4.504 9.946 -9.857 1.00 0.00 C ATOM 607 O VAL A 42 -5.449 9.884 -10.642 1.00 0.00 O ATOM 608 CB VAL A 42 -4.425 7.543 -9.153 1.00 0.00 C ATOM 609 CG1 VAL A 42 -3.130 7.242 -9.887 1.00 0.00 C ATOM 610 CG2 VAL A 42 -4.615 6.577 -7.995 1.00 0.00 C ATOM 0 H VAL A 42 -6.478 9.079 -8.249 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.527 9.155 -8.088 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.258 7.410 -9.844 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.136 6.206 -10.225 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -3.037 7.904 -10.748 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.286 7.400 -9.215 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.600 5.553 -8.369 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.809 6.711 -7.273 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.572 6.773 -7.511 1.00 0.00 H new ATOM 620 N GLU A 43 -3.535 10.841 -9.961 1.00 0.00 N ATOM 621 CA GLU A 43 -3.541 11.857 -11.004 1.00 0.00 C ATOM 622 C GLU A 43 -3.267 11.199 -12.354 1.00 0.00 C ATOM 623 O GLU A 43 -2.179 10.681 -12.579 1.00 0.00 O ATOM 624 CB GLU A 43 -2.493 12.939 -10.701 1.00 0.00 C ATOM 625 CG GLU A 43 -2.478 13.378 -9.238 1.00 0.00 C ATOM 626 CD GLU A 43 -1.743 14.683 -8.999 1.00 0.00 C ATOM 627 OE1 GLU A 43 -2.104 15.697 -9.624 1.00 0.00 O ATOM 628 OE2 GLU A 43 -0.833 14.714 -8.139 1.00 0.00 O ATOM 0 H GLU A 43 -2.731 10.885 -9.334 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.519 12.337 -11.037 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.506 12.563 -10.970 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.686 13.807 -11.331 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.505 13.481 -8.889 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -2.014 12.595 -8.638 1.00 0.00 H new ATOM 635 N PRO A 44 -4.261 11.189 -13.258 1.00 0.00 N ATOM 636 CA PRO A 44 -4.143 10.513 -14.550 1.00 0.00 C ATOM 637 C PRO A 44 -2.978 11.041 -15.371 1.00 0.00 C ATOM 638 O PRO A 44 -2.903 12.229 -15.691 1.00 0.00 O ATOM 639 CB PRO A 44 -5.472 10.800 -15.253 1.00 0.00 C ATOM 640 CG PRO A 44 -6.084 11.928 -14.501 1.00 0.00 C ATOM 641 CD PRO A 44 -5.569 11.835 -13.094 1.00 0.00 C ATOM 0 HA PRO A 44 -3.948 9.448 -14.426 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -5.314 11.065 -16.298 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -6.120 9.923 -15.241 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -5.815 12.884 -14.950 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.172 11.862 -14.521 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.477 12.818 -12.633 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -6.232 11.246 -12.460 1.00 0.00 H new ATOM 649 N GLY A 45 -2.077 10.142 -15.713 1.00 0.00 N ATOM 650 CA GLY A 45 -0.883 10.518 -16.439 1.00 0.00 C ATOM 651 C GLY A 45 0.341 10.548 -15.546 1.00 0.00 C ATOM 652 O GLY A 45 1.390 11.072 -15.931 1.00 0.00 O ATOM 0 H GLY A 45 -2.150 9.147 -15.500 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.719 9.814 -17.255 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.027 11.500 -16.889 1.00 0.00 H new ATOM 656 N SER A 46 0.219 9.974 -14.358 1.00 0.00 N ATOM 657 CA SER A 46 1.306 9.976 -13.395 1.00 0.00 C ATOM 658 C SER A 46 1.990 8.613 -13.337 1.00 0.00 C ATOM 659 O SER A 46 1.426 7.599 -13.753 1.00 0.00 O ATOM 660 CB SER A 46 0.771 10.344 -12.012 1.00 0.00 C ATOM 661 OG SER A 46 -0.169 9.386 -11.557 1.00 0.00 O ATOM 0 H SER A 46 -0.626 9.500 -14.039 1.00 0.00 H new ATOM 0 HA SER A 46 2.042 10.715 -13.712 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.598 10.411 -11.305 1.00 0.00 H new ATOM 0 HB3 SER A 46 0.303 11.328 -12.050 1.00 0.00 H new ATOM 0 HG SER A 46 -1.027 9.529 -12.009 1.00 0.00 H new ATOM 667 N PRO A 47 3.229 8.578 -12.820 1.00 0.00 N ATOM 668 CA PRO A 47 3.964 7.329 -12.604 1.00 0.00 C ATOM 669 C PRO A 47 3.315 6.459 -11.532 1.00 0.00 C ATOM 670 O PRO A 47 3.609 5.268 -11.427 1.00 0.00 O ATOM 671 CB PRO A 47 5.345 7.798 -12.144 1.00 0.00 C ATOM 672 CG PRO A 47 5.121 9.166 -11.601 1.00 0.00 C ATOM 673 CD PRO A 47 4.021 9.758 -12.425 1.00 0.00 C ATOM 0 HA PRO A 47 3.989 6.711 -13.502 1.00 0.00 H new ATOM 0 HB2 PRO A 47 5.756 7.133 -11.384 1.00 0.00 H new ATOM 0 HB3 PRO A 47 6.054 7.812 -12.972 1.00 0.00 H new ATOM 0 HG2 PRO A 47 4.843 9.128 -10.548 1.00 0.00 H new ATOM 0 HG3 PRO A 47 6.028 9.767 -11.670 1.00 0.00 H new ATOM 0 HD2 PRO A 47 3.426 10.470 -11.852 1.00 0.00 H new ATOM 0 HD3 PRO A 47 4.409 10.292 -13.292 1.00 0.00 H new ATOM 681 N ALA A 48 2.431 7.062 -10.741 1.00 0.00 N ATOM 682 CA ALA A 48 1.699 6.334 -9.715 1.00 0.00 C ATOM 683 C ALA A 48 0.814 5.270 -10.357 1.00 0.00 C ATOM 684 O ALA A 48 0.728 4.139 -9.874 1.00 0.00 O ATOM 685 CB ALA A 48 0.861 7.293 -8.883 1.00 0.00 C ATOM 0 H ALA A 48 2.206 8.055 -10.793 1.00 0.00 H new ATOM 0 HA ALA A 48 2.414 5.841 -9.056 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.319 6.734 -8.120 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.513 8.024 -8.404 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.150 7.809 -9.528 1.00 0.00 H new ATOM 691 N GLU A 49 0.171 5.641 -11.461 1.00 0.00 N ATOM 692 CA GLU A 49 -0.650 4.706 -12.220 1.00 0.00 C ATOM 693 C GLU A 49 0.212 3.578 -12.769 1.00 0.00 C ATOM 694 O GLU A 49 -0.158 2.406 -12.706 1.00 0.00 O ATOM 695 CB GLU A 49 -1.324 5.405 -13.396 1.00 0.00 C ATOM 696 CG GLU A 49 -2.087 6.663 -13.042 1.00 0.00 C ATOM 697 CD GLU A 49 -2.769 7.241 -14.259 1.00 0.00 C ATOM 698 OE1 GLU A 49 -2.061 7.539 -15.246 1.00 0.00 O ATOM 699 OE2 GLU A 49 -4.006 7.361 -14.257 1.00 0.00 O ATOM 0 H GLU A 49 0.204 6.584 -11.849 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.409 4.310 -11.545 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.563 5.656 -14.135 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.010 4.704 -13.871 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.830 6.439 -12.276 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.405 7.400 -12.618 1.00 0.00 H new ATOM 706 N LYS A 50 1.371 3.958 -13.295 1.00 0.00 N ATOM 707 CA LYS A 50 2.299 3.021 -13.918 1.00 0.00 C ATOM 708 C LYS A 50 2.807 1.994 -12.911 1.00 0.00 C ATOM 709 O LYS A 50 3.198 0.887 -13.286 1.00 0.00 O ATOM 710 CB LYS A 50 3.490 3.777 -14.517 1.00 0.00 C ATOM 711 CG LYS A 50 3.103 4.824 -15.547 1.00 0.00 C ATOM 712 CD LYS A 50 4.315 5.634 -15.983 1.00 0.00 C ATOM 713 CE LYS A 50 3.945 6.709 -16.991 1.00 0.00 C ATOM 714 NZ LYS A 50 3.469 6.138 -18.277 1.00 0.00 N ATOM 0 H LYS A 50 1.694 4.925 -13.302 1.00 0.00 H new ATOM 0 HA LYS A 50 1.761 2.496 -14.708 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.042 4.261 -13.711 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.167 3.059 -14.980 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.655 4.338 -16.414 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.348 5.489 -15.128 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.775 6.098 -15.110 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.059 4.968 -16.419 1.00 0.00 H new ATOM 0 HE2 LYS A 50 3.168 7.347 -16.570 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.812 7.343 -17.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 3.358 6.900 -18.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.162 5.446 -18.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.553 5.667 -18.130 1.00 0.00 H new ATOM 728 N ALA A 51 2.815 2.370 -11.639 1.00 0.00 N ATOM 729 CA ALA A 51 3.285 1.481 -10.588 1.00 0.00 C ATOM 730 C ALA A 51 2.172 0.553 -10.109 1.00 0.00 C ATOM 731 O ALA A 51 2.436 -0.500 -9.532 1.00 0.00 O ATOM 732 CB ALA A 51 3.837 2.291 -9.426 1.00 0.00 C ATOM 0 H ALA A 51 2.502 3.284 -11.312 1.00 0.00 H new ATOM 0 HA ALA A 51 4.082 0.861 -10.999 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.186 1.616 -8.645 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.668 2.905 -9.773 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.053 2.934 -9.026 1.00 0.00 H new ATOM 738 N GLY A 52 0.930 0.934 -10.380 1.00 0.00 N ATOM 739 CA GLY A 52 -0.197 0.105 -10.006 1.00 0.00 C ATOM 740 C GLY A 52 -0.936 0.619 -8.782 1.00 0.00 C ATOM 741 O GLY A 52 -1.267 -0.155 -7.885 1.00 0.00 O ATOM 0 H GLY A 52 0.684 1.804 -10.853 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.891 0.047 -10.844 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.154 -0.909 -9.812 1.00 0.00 H new ATOM 745 N LEU A 53 -1.181 1.920 -8.732 1.00 0.00 N ATOM 746 CA LEU A 53 -1.991 2.501 -7.665 1.00 0.00 C ATOM 747 C LEU A 53 -3.393 2.806 -8.185 1.00 0.00 C ATOM 748 O LEU A 53 -3.566 3.127 -9.362 1.00 0.00 O ATOM 749 CB LEU A 53 -1.343 3.782 -7.127 1.00 0.00 C ATOM 750 CG LEU A 53 0.013 3.593 -6.443 1.00 0.00 C ATOM 751 CD1 LEU A 53 0.547 4.927 -5.949 1.00 0.00 C ATOM 752 CD2 LEU A 53 -0.096 2.607 -5.291 1.00 0.00 C ATOM 0 H LEU A 53 -0.833 2.594 -9.414 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.057 1.780 -6.850 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.220 4.482 -7.954 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.028 4.245 -6.417 1.00 0.00 H new ATOM 0 HG LEU A 53 0.711 3.187 -7.175 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.512 4.776 -5.465 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.667 5.606 -6.793 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.154 5.357 -5.234 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.880 2.489 -4.820 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.810 2.982 -4.558 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.436 1.643 -5.668 1.00 0.00 H new ATOM 764 N LEU A 54 -4.390 2.683 -7.321 1.00 0.00 N ATOM 765 CA LEU A 54 -5.765 2.970 -7.704 1.00 0.00 C ATOM 766 C LEU A 54 -6.517 3.565 -6.519 1.00 0.00 C ATOM 767 O LEU A 54 -6.275 3.194 -5.370 1.00 0.00 O ATOM 768 CB LEU A 54 -6.444 1.688 -8.208 1.00 0.00 C ATOM 769 CG LEU A 54 -7.798 1.873 -8.904 1.00 0.00 C ATOM 770 CD1 LEU A 54 -7.982 0.814 -9.976 1.00 0.00 C ATOM 771 CD2 LEU A 54 -8.940 1.798 -7.900 1.00 0.00 C ATOM 0 H LEU A 54 -4.273 2.387 -6.352 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.775 3.699 -8.514 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.766 1.190 -8.902 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.582 1.017 -7.361 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.811 2.860 -9.367 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -8.946 0.954 -10.464 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.185 0.902 -10.715 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -7.947 -0.175 -9.520 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -9.889 1.932 -8.418 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -8.929 0.825 -7.409 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.820 2.583 -7.153 1.00 0.00 H new ATOM 783 N ALA A 55 -7.407 4.510 -6.808 1.00 0.00 N ATOM 784 CA ALA A 55 -8.175 5.196 -5.774 1.00 0.00 C ATOM 785 C ALA A 55 -9.121 4.234 -5.069 1.00 0.00 C ATOM 786 O ALA A 55 -10.182 3.892 -5.593 1.00 0.00 O ATOM 787 CB ALA A 55 -8.948 6.363 -6.375 1.00 0.00 C ATOM 0 H ALA A 55 -7.615 4.820 -7.757 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.477 5.585 -5.033 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.516 6.865 -5.592 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.250 7.068 -6.826 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.632 5.992 -7.138 1.00 0.00 H new ATOM 793 N GLY A 56 -8.723 3.801 -3.882 1.00 0.00 N ATOM 794 CA GLY A 56 -9.515 2.854 -3.131 1.00 0.00 C ATOM 795 C GLY A 56 -8.652 1.896 -2.340 1.00 0.00 C ATOM 796 O GLY A 56 -9.082 1.362 -1.318 1.00 0.00 O ATOM 0 H GLY A 56 -7.859 4.092 -3.424 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -10.176 3.392 -2.452 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.150 2.290 -3.814 1.00 0.00 H new ATOM 800 N ASP A 57 -7.428 1.691 -2.809 1.00 0.00 N ATOM 801 CA ASP A 57 -6.491 0.779 -2.160 1.00 0.00 C ATOM 802 C ASP A 57 -5.920 1.401 -0.890 1.00 0.00 C ATOM 803 O ASP A 57 -5.773 2.624 -0.794 1.00 0.00 O ATOM 804 CB ASP A 57 -5.362 0.405 -3.120 1.00 0.00 C ATOM 805 CG ASP A 57 -5.860 -0.359 -4.333 1.00 0.00 C ATOM 806 OD1 ASP A 57 -6.608 -1.346 -4.155 1.00 0.00 O ATOM 807 OD2 ASP A 57 -5.503 0.023 -5.470 1.00 0.00 O ATOM 0 H ASP A 57 -7.058 2.147 -3.643 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.032 -0.126 -1.884 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.854 1.311 -3.449 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.625 -0.199 -2.591 1.00 0.00 H new ATOM 812 N ARG A 58 -5.613 0.558 0.091 1.00 0.00 N ATOM 813 CA ARG A 58 -5.070 1.030 1.357 1.00 0.00 C ATOM 814 C ARG A 58 -3.553 1.014 1.322 1.00 0.00 C ATOM 815 O ARG A 58 -2.948 0.025 0.907 1.00 0.00 O ATOM 816 CB ARG A 58 -5.539 0.161 2.526 1.00 0.00 C ATOM 817 CG ARG A 58 -5.169 0.748 3.883 1.00 0.00 C ATOM 818 CD ARG A 58 -5.111 -0.312 4.970 1.00 0.00 C ATOM 819 NE ARG A 58 -6.363 -1.053 5.112 1.00 0.00 N ATOM 820 CZ ARG A 58 -6.419 -2.378 5.245 1.00 0.00 C ATOM 821 NH1 ARG A 58 -5.304 -3.099 5.214 1.00 0.00 N ATOM 822 NH2 ARG A 58 -7.583 -2.989 5.419 1.00 0.00 N ATOM 0 H ARG A 58 -5.731 -0.453 0.032 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.431 2.048 1.502 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -6.621 0.039 2.471 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.101 -0.833 2.433 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -4.202 1.245 3.810 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.899 1.509 4.159 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -4.305 -1.011 4.746 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.866 0.163 5.920 1.00 0.00 H new ATOM 0 HE ARG A 58 -7.238 -0.529 5.109 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.402 -2.639 5.088 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.349 -4.113 5.316 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -8.445 -2.445 5.452 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -7.616 -4.003 5.520 1.00 0.00 H new ATOM 836 N LEU A 59 -2.954 2.098 1.773 1.00 0.00 N ATOM 837 CA LEU A 59 -1.508 2.189 1.865 1.00 0.00 C ATOM 838 C LEU A 59 -1.018 1.384 3.068 1.00 0.00 C ATOM 839 O LEU A 59 -1.215 1.784 4.212 1.00 0.00 O ATOM 840 CB LEU A 59 -1.084 3.653 1.986 1.00 0.00 C ATOM 841 CG LEU A 59 0.422 3.906 1.936 1.00 0.00 C ATOM 842 CD1 LEU A 59 1.000 3.452 0.606 1.00 0.00 C ATOM 843 CD2 LEU A 59 0.716 5.378 2.174 1.00 0.00 C ATOM 0 H LEU A 59 -3.449 2.934 2.084 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.060 1.775 0.962 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.557 4.218 1.183 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.471 4.049 2.925 1.00 0.00 H new ATOM 0 HG LEU A 59 0.897 3.325 2.727 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.073 3.641 0.592 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.818 2.385 0.475 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.524 4.003 -0.205 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.792 5.545 2.136 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.229 5.976 1.404 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.338 5.671 3.154 1.00 0.00 H new ATOM 855 N VAL A 60 -0.399 0.241 2.798 1.00 0.00 N ATOM 856 CA VAL A 60 0.037 -0.678 3.845 1.00 0.00 C ATOM 857 C VAL A 60 1.502 -0.442 4.209 1.00 0.00 C ATOM 858 O VAL A 60 1.895 -0.596 5.367 1.00 0.00 O ATOM 859 CB VAL A 60 -0.144 -2.146 3.400 1.00 0.00 C ATOM 860 CG1 VAL A 60 0.235 -3.112 4.513 1.00 0.00 C ATOM 861 CG2 VAL A 60 -1.573 -2.395 2.940 1.00 0.00 C ATOM 0 H VAL A 60 -0.185 -0.075 1.852 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.583 -0.488 4.721 1.00 0.00 H new ATOM 0 HB VAL A 60 0.527 -2.324 2.560 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.097 -4.137 4.168 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.279 -2.959 4.787 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.398 -2.933 5.382 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.680 -3.435 2.631 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.261 -2.188 3.760 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.804 -1.741 2.099 1.00 0.00 H new ATOM 871 N GLU A 61 2.314 -0.065 3.228 1.00 0.00 N ATOM 872 CA GLU A 61 3.734 0.153 3.472 1.00 0.00 C ATOM 873 C GLU A 61 4.278 1.266 2.580 1.00 0.00 C ATOM 874 O GLU A 61 3.777 1.494 1.476 1.00 0.00 O ATOM 875 CB GLU A 61 4.498 -1.159 3.238 1.00 0.00 C ATOM 876 CG GLU A 61 6.005 -1.058 3.407 1.00 0.00 C ATOM 877 CD GLU A 61 6.768 -1.300 2.122 1.00 0.00 C ATOM 878 OE1 GLU A 61 7.072 -2.472 1.823 1.00 0.00 O ATOM 879 OE2 GLU A 61 7.097 -0.316 1.430 1.00 0.00 O ATOM 0 H GLU A 61 2.017 0.095 2.265 1.00 0.00 H new ATOM 0 HA GLU A 61 3.872 0.467 4.507 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.119 -1.912 3.929 1.00 0.00 H new ATOM 0 HB3 GLU A 61 4.283 -1.514 2.230 1.00 0.00 H new ATOM 0 HG2 GLU A 61 6.255 -0.069 3.790 1.00 0.00 H new ATOM 0 HG3 GLU A 61 6.329 -1.781 4.156 1.00 0.00 H new ATOM 886 N VAL A 62 5.298 1.955 3.085 1.00 0.00 N ATOM 887 CA VAL A 62 5.988 3.002 2.343 1.00 0.00 C ATOM 888 C VAL A 62 7.492 2.870 2.529 1.00 0.00 C ATOM 889 O VAL A 62 8.004 3.040 3.637 1.00 0.00 O ATOM 890 CB VAL A 62 5.559 4.419 2.785 1.00 0.00 C ATOM 891 CG1 VAL A 62 6.395 5.481 2.083 1.00 0.00 C ATOM 892 CG2 VAL A 62 4.088 4.651 2.505 1.00 0.00 C ATOM 0 H VAL A 62 5.669 1.801 4.023 1.00 0.00 H new ATOM 0 HA VAL A 62 5.717 2.874 1.295 1.00 0.00 H new ATOM 0 HB VAL A 62 5.725 4.496 3.859 1.00 0.00 H new ATOM 0 HG11 VAL A 62 6.075 6.470 2.410 1.00 0.00 H new ATOM 0 HG12 VAL A 62 7.447 5.339 2.332 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.262 5.394 1.005 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.811 5.655 2.825 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.900 4.546 1.437 1.00 0.00 H new ATOM 0 HG23 VAL A 62 3.494 3.919 3.052 1.00 0.00 H new ATOM 902 N ASN A 63 8.179 2.552 1.443 1.00 0.00 N ATOM 903 CA ASN A 63 9.641 2.486 1.416 1.00 0.00 C ATOM 904 C ASN A 63 10.187 1.451 2.397 1.00 0.00 C ATOM 905 O ASN A 63 11.272 1.626 2.956 1.00 0.00 O ATOM 906 CB ASN A 63 10.256 3.860 1.709 1.00 0.00 C ATOM 907 CG ASN A 63 10.107 4.831 0.552 1.00 0.00 C ATOM 908 OD1 ASN A 63 10.095 4.433 -0.611 1.00 0.00 O ATOM 909 ND2 ASN A 63 9.990 6.111 0.859 1.00 0.00 N ATOM 0 H ASN A 63 7.741 2.331 0.549 1.00 0.00 H new ATOM 0 HA ASN A 63 9.925 2.175 0.410 1.00 0.00 H new ATOM 0 HB2 ASN A 63 9.783 4.283 2.595 1.00 0.00 H new ATOM 0 HB3 ASN A 63 11.314 3.737 1.940 1.00 0.00 H new ATOM 0 HD21 ASN A 63 9.885 6.805 0.119 1.00 0.00 H new ATOM 0 HD22 ASN A 63 10.004 6.405 1.836 1.00 0.00 H new ATOM 916 N GLY A 64 9.448 0.371 2.593 1.00 0.00 N ATOM 917 CA GLY A 64 9.903 -0.686 3.475 1.00 0.00 C ATOM 918 C GLY A 64 9.505 -0.459 4.921 1.00 0.00 C ATOM 919 O GLY A 64 10.052 -1.084 5.829 1.00 0.00 O ATOM 0 H GLY A 64 8.541 0.206 2.158 1.00 0.00 H new ATOM 0 HA2 GLY A 64 9.493 -1.637 3.136 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.988 -0.765 3.410 1.00 0.00 H new ATOM 923 N GLU A 65 8.556 0.437 5.143 1.00 0.00 N ATOM 924 CA GLU A 65 8.063 0.694 6.487 1.00 0.00 C ATOM 925 C GLU A 65 6.558 0.495 6.552 1.00 0.00 C ATOM 926 O GLU A 65 5.825 0.964 5.683 1.00 0.00 O ATOM 927 CB GLU A 65 8.435 2.101 6.948 1.00 0.00 C ATOM 928 CG GLU A 65 9.295 2.109 8.202 1.00 0.00 C ATOM 929 CD GLU A 65 8.600 1.486 9.401 1.00 0.00 C ATOM 930 OE1 GLU A 65 8.329 0.265 9.374 1.00 0.00 O ATOM 931 OE2 GLU A 65 8.319 2.221 10.372 1.00 0.00 O ATOM 0 H GLU A 65 8.114 0.996 4.414 1.00 0.00 H new ATOM 0 HA GLU A 65 8.537 -0.020 7.161 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.968 2.611 6.146 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.523 2.668 7.136 1.00 0.00 H new ATOM 0 HG2 GLU A 65 10.221 1.569 8.005 1.00 0.00 H new ATOM 0 HG3 GLU A 65 9.570 3.136 8.441 1.00 0.00 H new ATOM 938 N ASN A 66 6.112 -0.186 7.594 1.00 0.00 N ATOM 939 CA ASN A 66 4.708 -0.555 7.743 1.00 0.00 C ATOM 940 C ASN A 66 3.867 0.664 8.112 1.00 0.00 C ATOM 941 O ASN A 66 4.036 1.229 9.192 1.00 0.00 O ATOM 942 CB ASN A 66 4.572 -1.629 8.823 1.00 0.00 C ATOM 943 CG ASN A 66 3.166 -2.175 8.930 1.00 0.00 C ATOM 944 OD1 ASN A 66 2.705 -2.526 10.014 1.00 0.00 O ATOM 945 ND2 ASN A 66 2.485 -2.289 7.801 1.00 0.00 N ATOM 0 H ASN A 66 6.708 -0.499 8.360 1.00 0.00 H new ATOM 0 HA ASN A 66 4.346 -0.947 6.793 1.00 0.00 H new ATOM 0 HB2 ASN A 66 5.259 -2.447 8.605 1.00 0.00 H new ATOM 0 HB3 ASN A 66 4.869 -1.211 9.785 1.00 0.00 H new ATOM 0 HD21 ASN A 66 1.543 -2.680 7.811 1.00 0.00 H new ATOM 0 HD22 ASN A 66 2.902 -1.986 6.921 1.00 0.00 H new ATOM 952 N VAL A 67 2.960 1.070 7.224 1.00 0.00 N ATOM 953 CA VAL A 67 2.233 2.323 7.422 1.00 0.00 C ATOM 954 C VAL A 67 0.718 2.187 7.313 1.00 0.00 C ATOM 955 O VAL A 67 0.013 3.198 7.271 1.00 0.00 O ATOM 956 CB VAL A 67 2.679 3.400 6.418 1.00 0.00 C ATOM 957 CG1 VAL A 67 4.178 3.614 6.482 1.00 0.00 C ATOM 958 CG2 VAL A 67 2.246 3.031 5.009 1.00 0.00 C ATOM 0 H VAL A 67 2.714 0.560 6.375 1.00 0.00 H new ATOM 0 HA VAL A 67 2.478 2.615 8.443 1.00 0.00 H new ATOM 0 HB VAL A 67 2.194 4.338 6.690 1.00 0.00 H new ATOM 0 HG11 VAL A 67 4.467 4.380 5.763 1.00 0.00 H new ATOM 0 HG12 VAL A 67 4.457 3.935 7.486 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.689 2.681 6.244 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.571 3.805 4.314 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.696 2.079 4.728 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.160 2.944 4.973 1.00 0.00 H new ATOM 968 N GLU A 68 0.200 0.972 7.291 1.00 0.00 N ATOM 969 CA GLU A 68 -1.229 0.795 7.075 1.00 0.00 C ATOM 970 C GLU A 68 -2.020 1.224 8.308 1.00 0.00 C ATOM 971 O GLU A 68 -3.213 1.516 8.235 1.00 0.00 O ATOM 972 CB GLU A 68 -1.552 -0.644 6.679 1.00 0.00 C ATOM 973 CG GLU A 68 -1.741 -1.623 7.821 1.00 0.00 C ATOM 974 CD GLU A 68 -0.463 -1.978 8.547 1.00 0.00 C ATOM 975 OE1 GLU A 68 0.056 -1.133 9.301 1.00 0.00 O ATOM 976 OE2 GLU A 68 0.017 -3.117 8.387 1.00 0.00 O ATOM 0 H GLU A 68 0.731 0.110 7.417 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.528 1.437 6.246 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.461 -0.639 6.078 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.749 -1.013 6.040 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.447 -1.199 8.536 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -2.191 -2.536 7.432 1.00 0.00 H new ATOM 983 N LYS A 69 -1.332 1.231 9.431 1.00 0.00 N ATOM 984 CA LYS A 69 -1.877 1.724 10.691 1.00 0.00 C ATOM 985 C LYS A 69 -1.204 3.037 11.111 1.00 0.00 C ATOM 986 O LYS A 69 -1.268 3.427 12.281 1.00 0.00 O ATOM 987 CB LYS A 69 -1.672 0.690 11.798 1.00 0.00 C ATOM 988 CG LYS A 69 -2.245 -0.680 11.481 1.00 0.00 C ATOM 989 CD LYS A 69 -1.931 -1.677 12.583 1.00 0.00 C ATOM 990 CE LYS A 69 -0.432 -1.827 12.802 1.00 0.00 C ATOM 991 NZ LYS A 69 0.254 -2.428 11.626 1.00 0.00 N ATOM 0 H LYS A 69 -0.372 0.894 9.502 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.942 1.902 10.540 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.604 0.589 11.993 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -2.130 1.060 12.715 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.325 -0.604 11.353 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.836 -1.038 10.536 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.403 -1.353 13.511 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -2.360 -2.646 12.329 1.00 0.00 H new ATOM 0 HE2 LYS A 69 0.002 -0.849 13.012 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -0.256 -2.449 13.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.178 -2.805 11.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -0.328 -3.199 11.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 0.392 -1.701 10.895 1.00 0.00 H new ATOM 1005 N GLU A 70 -0.553 3.713 10.171 1.00 0.00 N ATOM 1006 CA GLU A 70 0.175 4.941 10.491 1.00 0.00 C ATOM 1007 C GLU A 70 -0.646 6.186 10.185 1.00 0.00 C ATOM 1008 O GLU A 70 -1.749 6.108 9.644 1.00 0.00 O ATOM 1009 CB GLU A 70 1.502 4.998 9.736 1.00 0.00 C ATOM 1010 CG GLU A 70 2.525 4.002 10.241 1.00 0.00 C ATOM 1011 CD GLU A 70 2.873 4.217 11.696 1.00 0.00 C ATOM 1012 OE1 GLU A 70 3.642 5.151 11.995 1.00 0.00 O ATOM 1013 OE2 GLU A 70 2.378 3.452 12.553 1.00 0.00 O ATOM 0 H GLU A 70 -0.513 3.437 9.190 1.00 0.00 H new ATOM 0 HA GLU A 70 0.372 4.923 11.563 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.318 4.813 8.678 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.914 6.004 9.817 1.00 0.00 H new ATOM 0 HG2 GLU A 70 2.139 2.991 10.109 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.430 4.079 9.639 1.00 0.00 H new ATOM 1020 N THR A 71 -0.089 7.339 10.534 1.00 0.00 N ATOM 1021 CA THR A 71 -0.776 8.609 10.358 1.00 0.00 C ATOM 1022 C THR A 71 -0.483 9.204 8.990 1.00 0.00 C ATOM 1023 O THR A 71 0.351 8.683 8.242 1.00 0.00 O ATOM 1024 CB THR A 71 -0.349 9.632 11.426 1.00 0.00 C ATOM 1025 OG1 THR A 71 1.034 9.968 11.238 1.00 0.00 O ATOM 1026 CG2 THR A 71 -0.561 9.081 12.827 1.00 0.00 C ATOM 0 H THR A 71 0.842 7.419 10.943 1.00 0.00 H new ATOM 0 HA THR A 71 -1.842 8.402 10.454 1.00 0.00 H new ATOM 0 HB THR A 71 -0.964 10.525 11.317 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.307 10.621 11.916 1.00 0.00 H new ATOM 0 HG21 THR A 71 -0.251 9.825 13.561 1.00 0.00 H new ATOM 0 HG22 THR A 71 -1.616 8.847 12.970 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.032 8.175 12.955 1.00 0.00 H new ATOM 1034 N HIS A 72 -1.152 10.299 8.670 1.00 0.00 N ATOM 1035 CA HIS A 72 -0.888 11.013 7.434 1.00 0.00 C ATOM 1036 C HIS A 72 0.519 11.593 7.455 1.00 0.00 C ATOM 1037 O HIS A 72 1.256 11.497 6.479 1.00 0.00 O ATOM 1038 CB HIS A 72 -1.911 12.134 7.230 1.00 0.00 C ATOM 1039 CG HIS A 72 -1.770 12.835 5.915 1.00 0.00 C ATOM 1040 ND1 HIS A 72 -2.368 12.382 4.760 1.00 0.00 N ATOM 1041 CD2 HIS A 72 -1.087 13.956 5.570 1.00 0.00 C ATOM 1042 CE1 HIS A 72 -2.063 13.188 3.762 1.00 0.00 C ATOM 1043 NE2 HIS A 72 -1.287 14.149 4.224 1.00 0.00 N ATOM 0 H HIS A 72 -1.882 10.712 9.250 1.00 0.00 H new ATOM 0 HA HIS A 72 -0.972 10.310 6.605 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -2.915 11.717 7.305 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -1.807 12.862 8.035 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -2.956 11.552 4.688 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -0.498 14.578 6.228 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -2.393 13.080 2.739 1.00 0.00 H new ATOM 1052 N GLN A 73 0.888 12.188 8.576 1.00 0.00 N ATOM 1053 CA GLN A 73 2.189 12.824 8.700 1.00 0.00 C ATOM 1054 C GLN A 73 3.311 11.792 8.624 1.00 0.00 C ATOM 1055 O GLN A 73 4.350 12.040 8.006 1.00 0.00 O ATOM 1056 CB GLN A 73 2.287 13.599 10.008 1.00 0.00 C ATOM 1057 CG GLN A 73 3.511 14.484 10.073 1.00 0.00 C ATOM 1058 CD GLN A 73 3.711 15.103 11.440 1.00 0.00 C ATOM 1059 OE1 GLN A 73 3.219 16.197 11.719 1.00 0.00 O ATOM 1060 NE2 GLN A 73 4.431 14.406 12.303 1.00 0.00 N ATOM 0 H GLN A 73 0.307 12.244 9.412 1.00 0.00 H new ATOM 0 HA GLN A 73 2.299 13.520 7.868 1.00 0.00 H new ATOM 0 HB2 GLN A 73 1.394 14.212 10.130 1.00 0.00 H new ATOM 0 HB3 GLN A 73 2.307 12.896 10.841 1.00 0.00 H new ATOM 0 HG2 GLN A 73 4.392 13.898 9.811 1.00 0.00 H new ATOM 0 HG3 GLN A 73 3.422 15.276 9.329 1.00 0.00 H new ATOM 0 HE21 GLN A 73 4.820 13.503 12.031 1.00 0.00 H new ATOM 0 HE22 GLN A 73 4.597 14.771 13.241 1.00 0.00 H new ATOM 1069 N GLN A 74 3.093 10.633 9.242 1.00 0.00 N ATOM 1070 CA GLN A 74 4.102 9.586 9.256 1.00 0.00 C ATOM 1071 C GLN A 74 4.421 9.118 7.849 1.00 0.00 C ATOM 1072 O GLN A 74 5.584 9.006 7.477 1.00 0.00 O ATOM 1073 CB GLN A 74 3.648 8.387 10.094 1.00 0.00 C ATOM 1074 CG GLN A 74 3.766 8.597 11.596 1.00 0.00 C ATOM 1075 CD GLN A 74 5.201 8.733 12.064 1.00 0.00 C ATOM 1076 OE1 GLN A 74 6.070 9.233 11.346 1.00 0.00 O ATOM 1077 NE2 GLN A 74 5.461 8.282 13.275 1.00 0.00 N ATOM 0 H GLN A 74 2.231 10.400 9.735 1.00 0.00 H new ATOM 0 HA GLN A 74 4.999 10.013 9.705 1.00 0.00 H new ATOM 0 HB2 GLN A 74 2.610 8.160 9.850 1.00 0.00 H new ATOM 0 HB3 GLN A 74 4.240 7.516 9.812 1.00 0.00 H new ATOM 0 HG2 GLN A 74 3.212 9.493 11.877 1.00 0.00 H new ATOM 0 HG3 GLN A 74 3.299 7.758 12.112 1.00 0.00 H new ATOM 0 HE21 GLN A 74 4.715 7.875 13.839 1.00 0.00 H new ATOM 0 HE22 GLN A 74 6.408 8.340 13.648 1.00 0.00 H new ATOM 1086 N VAL A 75 3.387 8.887 7.055 1.00 0.00 N ATOM 1087 CA VAL A 75 3.592 8.383 5.704 1.00 0.00 C ATOM 1088 C VAL A 75 4.250 9.430 4.815 1.00 0.00 C ATOM 1089 O VAL A 75 5.197 9.126 4.093 1.00 0.00 O ATOM 1090 CB VAL A 75 2.292 7.875 5.048 1.00 0.00 C ATOM 1091 CG1 VAL A 75 1.807 6.622 5.751 1.00 0.00 C ATOM 1092 CG2 VAL A 75 1.198 8.929 5.045 1.00 0.00 C ATOM 0 H VAL A 75 2.412 9.037 7.316 1.00 0.00 H new ATOM 0 HA VAL A 75 4.261 7.529 5.803 1.00 0.00 H new ATOM 0 HB VAL A 75 2.523 7.644 4.008 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.889 6.272 5.279 1.00 0.00 H new ATOM 0 HG12 VAL A 75 2.570 5.846 5.680 1.00 0.00 H new ATOM 0 HG13 VAL A 75 1.614 6.845 6.800 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.303 8.523 4.573 1.00 0.00 H new ATOM 0 HG22 VAL A 75 0.968 9.218 6.071 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.537 9.803 4.489 1.00 0.00 H new ATOM 1102 N VAL A 76 3.761 10.663 4.890 1.00 0.00 N ATOM 1103 CA VAL A 76 4.337 11.771 4.130 1.00 0.00 C ATOM 1104 C VAL A 76 5.834 11.906 4.408 1.00 0.00 C ATOM 1105 O VAL A 76 6.633 12.072 3.486 1.00 0.00 O ATOM 1106 CB VAL A 76 3.629 13.106 4.451 1.00 0.00 C ATOM 1107 CG1 VAL A 76 4.318 14.274 3.761 1.00 0.00 C ATOM 1108 CG2 VAL A 76 2.169 13.047 4.040 1.00 0.00 C ATOM 0 H VAL A 76 2.964 10.923 5.471 1.00 0.00 H new ATOM 0 HA VAL A 76 4.190 11.545 3.074 1.00 0.00 H new ATOM 0 HB VAL A 76 3.688 13.262 5.528 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.797 15.200 4.006 1.00 0.00 H new ATOM 0 HG12 VAL A 76 5.352 14.339 4.100 1.00 0.00 H new ATOM 0 HG13 VAL A 76 4.299 14.122 2.682 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.687 13.996 4.274 1.00 0.00 H new ATOM 0 HG22 VAL A 76 2.100 12.859 2.969 1.00 0.00 H new ATOM 0 HG23 VAL A 76 1.671 12.243 4.582 1.00 0.00 H new ATOM 1118 N SER A 77 6.207 11.801 5.680 1.00 0.00 N ATOM 1119 CA SER A 77 7.606 11.901 6.079 1.00 0.00 C ATOM 1120 C SER A 77 8.445 10.806 5.412 1.00 0.00 C ATOM 1121 O SER A 77 9.559 11.059 4.950 1.00 0.00 O ATOM 1122 CB SER A 77 7.722 11.805 7.603 1.00 0.00 C ATOM 1123 OG SER A 77 6.914 12.784 8.242 1.00 0.00 O ATOM 0 H SER A 77 5.559 11.647 6.452 1.00 0.00 H new ATOM 0 HA SER A 77 7.990 12.867 5.752 1.00 0.00 H new ATOM 0 HB2 SER A 77 7.421 10.810 7.931 1.00 0.00 H new ATOM 0 HB3 SER A 77 8.762 11.938 7.900 1.00 0.00 H new ATOM 0 HG SER A 77 6.012 12.426 8.378 1.00 0.00 H new ATOM 1129 N ARG A 78 7.894 9.596 5.353 1.00 0.00 N ATOM 1130 CA ARG A 78 8.588 8.456 4.758 1.00 0.00 C ATOM 1131 C ARG A 78 8.721 8.619 3.244 1.00 0.00 C ATOM 1132 O ARG A 78 9.724 8.221 2.656 1.00 0.00 O ATOM 1133 CB ARG A 78 7.847 7.160 5.076 1.00 0.00 C ATOM 1134 CG ARG A 78 7.508 7.010 6.546 1.00 0.00 C ATOM 1135 CD ARG A 78 6.742 5.729 6.809 1.00 0.00 C ATOM 1136 NE ARG A 78 6.110 5.724 8.130 1.00 0.00 N ATOM 1137 CZ ARG A 78 6.747 5.419 9.256 1.00 0.00 C ATOM 1138 NH1 ARG A 78 8.055 5.210 9.238 1.00 0.00 N ATOM 1139 NH2 ARG A 78 6.082 5.352 10.404 1.00 0.00 N ATOM 0 H ARG A 78 6.964 9.379 5.712 1.00 0.00 H new ATOM 0 HA ARG A 78 9.589 8.413 5.188 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.927 7.123 4.492 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.458 6.314 4.763 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.425 7.015 7.135 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.915 7.864 6.873 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.978 5.600 6.042 1.00 0.00 H new ATOM 0 HD3 ARG A 78 7.420 4.879 6.729 1.00 0.00 H new ATOM 0 HE ARG A 78 5.122 5.969 8.190 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.571 5.283 8.361 1.00 0.00 H new ATOM 0 HH12 ARG A 78 8.546 4.976 10.101 1.00 0.00 H new ATOM 0 HH21 ARG A 78 5.079 5.535 10.424 1.00 0.00 H new ATOM 0 HH22 ARG A 78 6.575 5.118 11.266 1.00 0.00 H new ATOM 1153 N ILE A 79 7.697 9.198 2.622 1.00 0.00 N ATOM 1154 CA ILE A 79 7.699 9.429 1.178 1.00 0.00 C ATOM 1155 C ILE A 79 8.834 10.372 0.786 1.00 0.00 C ATOM 1156 O ILE A 79 9.533 10.142 -0.201 1.00 0.00 O ATOM 1157 CB ILE A 79 6.352 10.022 0.706 1.00 0.00 C ATOM 1158 CG1 ILE A 79 5.209 9.060 1.033 1.00 0.00 C ATOM 1159 CG2 ILE A 79 6.389 10.316 -0.790 1.00 0.00 C ATOM 1160 CD1 ILE A 79 3.831 9.633 0.774 1.00 0.00 C ATOM 0 H ILE A 79 6.852 9.517 3.096 1.00 0.00 H new ATOM 0 HA ILE A 79 7.847 8.465 0.692 1.00 0.00 H new ATOM 0 HB ILE A 79 6.182 10.960 1.234 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.331 8.152 0.442 1.00 0.00 H new ATOM 0 HG13 ILE A 79 5.280 8.770 2.081 1.00 0.00 H new ATOM 0 HG21 ILE A 79 5.432 10.733 -1.103 1.00 0.00 H new ATOM 0 HG22 ILE A 79 7.183 11.033 -1.000 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.579 9.393 -1.338 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.074 8.891 1.030 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.687 10.524 1.385 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.739 9.897 -0.280 1.00 0.00 H new ATOM 1172 N ARG A 80 9.026 11.417 1.584 1.00 0.00 N ATOM 1173 CA ARG A 80 10.081 12.402 1.340 1.00 0.00 C ATOM 1174 C ARG A 80 11.471 11.777 1.470 1.00 0.00 C ATOM 1175 O ARG A 80 12.452 12.317 0.955 1.00 0.00 O ATOM 1176 CB ARG A 80 9.952 13.583 2.309 1.00 0.00 C ATOM 1177 CG ARG A 80 9.042 14.707 1.827 1.00 0.00 C ATOM 1178 CD ARG A 80 7.669 14.202 1.412 1.00 0.00 C ATOM 1179 NE ARG A 80 6.709 15.293 1.262 1.00 0.00 N ATOM 1180 CZ ARG A 80 5.684 15.277 0.413 1.00 0.00 C ATOM 1181 NH1 ARG A 80 5.572 14.308 -0.486 1.00 0.00 N ATOM 1182 NH2 ARG A 80 4.787 16.254 0.433 1.00 0.00 N ATOM 0 H ARG A 80 8.462 11.607 2.412 1.00 0.00 H new ATOM 0 HA ARG A 80 9.961 12.762 0.318 1.00 0.00 H new ATOM 0 HB2 ARG A 80 9.576 13.213 3.263 1.00 0.00 H new ATOM 0 HB3 ARG A 80 10.945 13.992 2.495 1.00 0.00 H new ATOM 0 HG2 ARG A 80 8.930 15.446 2.620 1.00 0.00 H new ATOM 0 HG3 ARG A 80 9.510 15.214 0.983 1.00 0.00 H new ATOM 0 HD2 ARG A 80 7.751 13.659 0.470 1.00 0.00 H new ATOM 0 HD3 ARG A 80 7.302 13.495 2.156 1.00 0.00 H new ATOM 0 HE ARG A 80 6.832 16.120 1.846 1.00 0.00 H new ATOM 0 HH11 ARG A 80 6.274 13.569 -0.530 1.00 0.00 H new ATOM 0 HH12 ARG A 80 4.784 14.302 -1.134 1.00 0.00 H new ATOM 0 HH21 ARG A 80 4.882 17.020 1.100 1.00 0.00 H new ATOM 0 HH22 ARG A 80 4.002 16.239 -0.219 1.00 0.00 H new ATOM 1196 N ALA A 81 11.554 10.647 2.168 1.00 0.00 N ATOM 1197 CA ALA A 81 12.828 9.966 2.376 1.00 0.00 C ATOM 1198 C ALA A 81 13.366 9.377 1.076 1.00 0.00 C ATOM 1199 O ALA A 81 14.571 9.173 0.931 1.00 0.00 O ATOM 1200 CB ALA A 81 12.688 8.874 3.425 1.00 0.00 C ATOM 0 H ALA A 81 10.754 10.184 2.599 1.00 0.00 H new ATOM 0 HA ALA A 81 13.542 10.709 2.732 1.00 0.00 H new ATOM 0 HB1 ALA A 81 13.649 8.379 3.565 1.00 0.00 H new ATOM 0 HB2 ALA A 81 12.366 9.315 4.368 1.00 0.00 H new ATOM 0 HB3 ALA A 81 11.949 8.145 3.094 1.00 0.00 H new ATOM 1206 N ALA A 82 12.472 9.090 0.133 1.00 0.00 N ATOM 1207 CA ALA A 82 12.885 8.574 -1.159 1.00 0.00 C ATOM 1208 C ALA A 82 13.613 9.644 -1.959 1.00 0.00 C ATOM 1209 O ALA A 82 13.255 10.823 -1.926 1.00 0.00 O ATOM 1210 CB ALA A 82 11.687 8.071 -1.926 1.00 0.00 C ATOM 0 H ALA A 82 11.465 9.207 0.243 1.00 0.00 H new ATOM 0 HA ALA A 82 13.572 7.744 -0.994 1.00 0.00 H new ATOM 0 HB1 ALA A 82 12.010 7.686 -2.894 1.00 0.00 H new ATOM 0 HB2 ALA A 82 11.202 7.274 -1.362 1.00 0.00 H new ATOM 0 HB3 ALA A 82 10.982 8.889 -2.077 1.00 0.00 H new ATOM 1216 N LEU A 83 14.634 9.212 -2.677 1.00 0.00 N ATOM 1217 CA LEU A 83 15.496 10.113 -3.425 1.00 0.00 C ATOM 1218 C LEU A 83 14.869 10.531 -4.746 1.00 0.00 C ATOM 1219 O LEU A 83 14.723 11.719 -5.031 1.00 0.00 O ATOM 1220 CB LEU A 83 16.839 9.435 -3.679 1.00 0.00 C ATOM 1221 CG LEU A 83 17.669 9.152 -2.423 1.00 0.00 C ATOM 1222 CD1 LEU A 83 18.926 8.372 -2.771 1.00 0.00 C ATOM 1223 CD2 LEU A 83 18.025 10.452 -1.719 1.00 0.00 C ATOM 0 H LEU A 83 14.890 8.228 -2.759 1.00 0.00 H new ATOM 0 HA LEU A 83 15.639 11.015 -2.830 1.00 0.00 H new ATOM 0 HB2 LEU A 83 16.661 8.493 -4.198 1.00 0.00 H new ATOM 0 HB3 LEU A 83 17.425 10.063 -4.350 1.00 0.00 H new ATOM 0 HG LEU A 83 17.069 8.544 -1.746 1.00 0.00 H new ATOM 0 HD11 LEU A 83 19.500 8.183 -1.864 1.00 0.00 H new ATOM 0 HD12 LEU A 83 18.650 7.423 -3.230 1.00 0.00 H new ATOM 0 HD13 LEU A 83 19.532 8.950 -3.469 1.00 0.00 H new ATOM 0 HD21 LEU A 83 18.615 10.234 -0.829 1.00 0.00 H new ATOM 0 HD22 LEU A 83 18.605 11.084 -2.392 1.00 0.00 H new ATOM 0 HD23 LEU A 83 17.111 10.972 -1.431 1.00 0.00 H new ATOM 1235 N ASN A 84 14.527 9.554 -5.562 1.00 0.00 N ATOM 1236 CA ASN A 84 13.910 9.822 -6.854 1.00 0.00 C ATOM 1237 C ASN A 84 12.585 9.091 -6.952 1.00 0.00 C ATOM 1238 O ASN A 84 11.663 9.540 -7.624 1.00 0.00 O ATOM 1239 CB ASN A 84 14.814 9.370 -8.011 1.00 0.00 C ATOM 1240 CG ASN A 84 16.177 10.044 -8.039 1.00 0.00 C ATOM 1241 OD1 ASN A 84 17.160 9.448 -8.484 1.00 0.00 O ATOM 1242 ND2 ASN A 84 16.253 11.283 -7.581 1.00 0.00 N ATOM 0 H ASN A 84 14.665 8.564 -5.357 1.00 0.00 H new ATOM 0 HA ASN A 84 13.755 10.898 -6.932 1.00 0.00 H new ATOM 0 HB2 ASN A 84 14.956 8.291 -7.946 1.00 0.00 H new ATOM 0 HB3 ASN A 84 14.304 9.568 -8.954 1.00 0.00 H new ATOM 0 HD21 ASN A 84 17.146 11.776 -7.589 1.00 0.00 H new ATOM 0 HD22 ASN A 84 15.419 11.745 -7.220 1.00 0.00 H new ATOM 1249 N ALA A 85 12.486 7.972 -6.253 1.00 0.00 N ATOM 1250 CA ALA A 85 11.328 7.099 -6.379 1.00 0.00 C ATOM 1251 C ALA A 85 10.996 6.427 -5.059 1.00 0.00 C ATOM 1252 O ALA A 85 11.890 6.055 -4.298 1.00 0.00 O ATOM 1253 CB ALA A 85 11.578 6.054 -7.456 1.00 0.00 C ATOM 0 H ALA A 85 13.192 7.646 -5.593 1.00 0.00 H new ATOM 0 HA ALA A 85 10.472 7.711 -6.666 1.00 0.00 H new ATOM 0 HB1 ALA A 85 10.706 5.405 -7.543 1.00 0.00 H new ATOM 0 HB2 ALA A 85 11.758 6.550 -8.410 1.00 0.00 H new ATOM 0 HB3 ALA A 85 12.449 5.457 -7.188 1.00 0.00 H new ATOM 1259 N VAL A 86 9.708 6.264 -4.805 1.00 0.00 N ATOM 1260 CA VAL A 86 9.246 5.683 -3.558 1.00 0.00 C ATOM 1261 C VAL A 86 8.670 4.291 -3.808 1.00 0.00 C ATOM 1262 O VAL A 86 8.289 3.959 -4.934 1.00 0.00 O ATOM 1263 CB VAL A 86 8.164 6.563 -2.874 1.00 0.00 C ATOM 1264 CG1 VAL A 86 8.549 8.028 -2.876 1.00 0.00 C ATOM 1265 CG2 VAL A 86 6.800 6.380 -3.523 1.00 0.00 C ATOM 0 H VAL A 86 8.962 6.527 -5.449 1.00 0.00 H new ATOM 0 HA VAL A 86 10.108 5.620 -2.893 1.00 0.00 H new ATOM 0 HB VAL A 86 8.099 6.229 -1.839 1.00 0.00 H new ATOM 0 HG11 VAL A 86 7.767 8.610 -2.389 1.00 0.00 H new ATOM 0 HG12 VAL A 86 9.487 8.158 -2.337 1.00 0.00 H new ATOM 0 HG13 VAL A 86 8.670 8.371 -3.904 1.00 0.00 H new ATOM 0 HG21 VAL A 86 6.069 7.011 -3.018 1.00 0.00 H new ATOM 0 HG22 VAL A 86 6.857 6.661 -4.575 1.00 0.00 H new ATOM 0 HG23 VAL A 86 6.496 5.336 -3.442 1.00 0.00 H new ATOM 1275 N ARG A 87 8.622 3.481 -2.766 1.00 0.00 N ATOM 1276 CA ARG A 87 8.005 2.170 -2.846 1.00 0.00 C ATOM 1277 C ARG A 87 6.725 2.183 -2.034 1.00 0.00 C ATOM 1278 O ARG A 87 6.758 2.439 -0.834 1.00 0.00 O ATOM 1279 CB ARG A 87 8.931 1.068 -2.308 1.00 0.00 C ATOM 1280 CG ARG A 87 10.334 1.052 -2.898 1.00 0.00 C ATOM 1281 CD ARG A 87 11.229 2.090 -2.239 1.00 0.00 C ATOM 1282 NE ARG A 87 12.641 1.893 -2.547 1.00 0.00 N ATOM 1283 CZ ARG A 87 13.625 2.590 -1.984 1.00 0.00 C ATOM 1284 NH1 ARG A 87 13.341 3.584 -1.150 1.00 0.00 N ATOM 1285 NH2 ARG A 87 14.890 2.300 -2.267 1.00 0.00 N ATOM 0 H ARG A 87 9.006 3.710 -1.849 1.00 0.00 H new ATOM 0 HA ARG A 87 7.801 1.953 -3.894 1.00 0.00 H new ATOM 0 HB2 ARG A 87 9.011 1.179 -1.227 1.00 0.00 H new ATOM 0 HB3 ARG A 87 8.465 0.101 -2.496 1.00 0.00 H new ATOM 0 HG2 ARG A 87 10.771 0.061 -2.773 1.00 0.00 H new ATOM 0 HG3 ARG A 87 10.281 1.244 -3.970 1.00 0.00 H new ATOM 0 HD2 ARG A 87 10.926 3.085 -2.565 1.00 0.00 H new ATOM 0 HD3 ARG A 87 11.088 2.052 -1.159 1.00 0.00 H new ATOM 0 HE ARG A 87 12.888 1.180 -3.233 1.00 0.00 H new ATOM 0 HH11 ARG A 87 12.369 3.813 -0.941 1.00 0.00 H new ATOM 0 HH12 ARG A 87 14.095 4.119 -0.718 1.00 0.00 H new ATOM 0 HH21 ARG A 87 15.107 1.543 -2.916 1.00 0.00 H new ATOM 0 HH22 ARG A 87 15.644 2.834 -1.836 1.00 0.00 H new ATOM 1299 N LEU A 88 5.607 1.937 -2.681 1.00 0.00 N ATOM 1300 CA LEU A 88 4.330 1.945 -1.991 1.00 0.00 C ATOM 1301 C LEU A 88 3.652 0.590 -2.094 1.00 0.00 C ATOM 1302 O LEU A 88 3.514 0.034 -3.182 1.00 0.00 O ATOM 1303 CB LEU A 88 3.414 3.023 -2.568 1.00 0.00 C ATOM 1304 CG LEU A 88 3.961 4.448 -2.503 1.00 0.00 C ATOM 1305 CD1 LEU A 88 2.990 5.419 -3.148 1.00 0.00 C ATOM 1306 CD2 LEU A 88 4.241 4.854 -1.067 1.00 0.00 C ATOM 0 H LEU A 88 5.553 1.730 -3.678 1.00 0.00 H new ATOM 0 HA LEU A 88 4.520 2.164 -0.940 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.204 2.779 -3.609 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.463 2.992 -2.036 1.00 0.00 H new ATOM 0 HG LEU A 88 4.900 4.477 -3.055 1.00 0.00 H new ATOM 0 HD11 LEU A 88 3.395 6.429 -3.093 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.841 5.144 -4.192 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.036 5.382 -2.623 1.00 0.00 H new ATOM 0 HD21 LEU A 88 4.630 5.872 -1.046 1.00 0.00 H new ATOM 0 HD22 LEU A 88 3.318 4.806 -0.489 1.00 0.00 H new ATOM 0 HD23 LEU A 88 4.976 4.176 -0.634 1.00 0.00 H new ATOM 1318 N LEU A 89 3.244 0.058 -0.959 1.00 0.00 N ATOM 1319 CA LEU A 89 2.523 -1.201 -0.926 1.00 0.00 C ATOM 1320 C LEU A 89 1.055 -0.951 -0.620 1.00 0.00 C ATOM 1321 O LEU A 89 0.723 -0.370 0.416 1.00 0.00 O ATOM 1322 CB LEU A 89 3.112 -2.124 0.139 1.00 0.00 C ATOM 1323 CG LEU A 89 2.395 -3.462 0.307 1.00 0.00 C ATOM 1324 CD1 LEU A 89 2.803 -4.438 -0.787 1.00 0.00 C ATOM 1325 CD2 LEU A 89 2.677 -4.037 1.680 1.00 0.00 C ATOM 0 H LEU A 89 3.400 0.479 -0.043 1.00 0.00 H new ATOM 0 HA LEU A 89 2.616 -1.678 -1.902 1.00 0.00 H new ATOM 0 HB2 LEU A 89 4.156 -2.318 -0.108 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.102 -1.602 1.096 1.00 0.00 H new ATOM 0 HG LEU A 89 1.322 -3.294 0.217 1.00 0.00 H new ATOM 0 HD11 LEU A 89 2.279 -5.383 -0.645 1.00 0.00 H new ATOM 0 HD12 LEU A 89 2.544 -4.022 -1.761 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.878 -4.609 -0.740 1.00 0.00 H new ATOM 0 HD21 LEU A 89 2.161 -4.991 1.788 1.00 0.00 H new ATOM 0 HD22 LEU A 89 3.750 -4.190 1.797 1.00 0.00 H new ATOM 0 HD23 LEU A 89 2.324 -3.345 2.444 1.00 0.00 H new ATOM 1337 N VAL A 90 0.176 -1.381 -1.512 1.00 0.00 N ATOM 1338 CA VAL A 90 -1.252 -1.229 -1.294 1.00 0.00 C ATOM 1339 C VAL A 90 -1.983 -2.530 -1.559 1.00 0.00 C ATOM 1340 O VAL A 90 -1.502 -3.390 -2.299 1.00 0.00 O ATOM 1341 CB VAL A 90 -1.884 -0.119 -2.172 1.00 0.00 C ATOM 1342 CG1 VAL A 90 -1.314 1.247 -1.829 1.00 0.00 C ATOM 1343 CG2 VAL A 90 -1.706 -0.421 -3.654 1.00 0.00 C ATOM 0 H VAL A 90 0.426 -1.836 -2.390 1.00 0.00 H new ATOM 0 HA VAL A 90 -1.361 -0.940 -0.249 1.00 0.00 H new ATOM 0 HB VAL A 90 -2.952 -0.101 -1.957 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.777 2.004 -2.462 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -1.518 1.474 -0.783 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -0.237 1.244 -1.996 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.159 0.375 -4.245 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.643 -0.485 -3.887 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.188 -1.369 -3.893 1.00 0.00 H new ATOM 1353 N VAL A 91 -3.135 -2.668 -0.935 1.00 0.00 N ATOM 1354 CA VAL A 91 -3.986 -3.822 -1.137 1.00 0.00 C ATOM 1355 C VAL A 91 -5.445 -3.397 -0.994 1.00 0.00 C ATOM 1356 O VAL A 91 -5.750 -2.435 -0.279 1.00 0.00 O ATOM 1357 CB VAL A 91 -3.649 -4.957 -0.134 1.00 0.00 C ATOM 1358 CG1 VAL A 91 -4.103 -4.613 1.280 1.00 0.00 C ATOM 1359 CG2 VAL A 91 -4.248 -6.277 -0.594 1.00 0.00 C ATOM 0 H VAL A 91 -3.507 -1.985 -0.275 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.814 -4.214 -2.139 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.564 -5.063 -0.109 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.849 -5.432 1.953 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.603 -3.703 1.611 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.182 -4.458 1.288 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.000 -7.059 0.124 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.331 -6.180 -0.664 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.843 -6.539 -1.571 1.00 0.00 H new ATOM 1369 N ASP A 92 -6.331 -4.085 -1.701 1.00 0.00 N ATOM 1370 CA ASP A 92 -7.757 -3.790 -1.640 1.00 0.00 C ATOM 1371 C ASP A 92 -8.298 -4.063 -0.242 1.00 0.00 C ATOM 1372 O ASP A 92 -8.225 -5.187 0.250 1.00 0.00 O ATOM 1373 CB ASP A 92 -8.513 -4.625 -2.669 1.00 0.00 C ATOM 1374 CG ASP A 92 -10.013 -4.515 -2.514 1.00 0.00 C ATOM 1375 OD1 ASP A 92 -10.587 -3.491 -2.938 1.00 0.00 O ATOM 1376 OD2 ASP A 92 -10.627 -5.459 -1.972 1.00 0.00 O ATOM 0 H ASP A 92 -6.087 -4.854 -2.325 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.902 -2.734 -1.869 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -8.230 -4.304 -3.671 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.217 -5.670 -2.573 1.00 0.00 H new ATOM 1381 N PRO A 93 -8.855 -3.026 0.405 1.00 0.00 N ATOM 1382 CA PRO A 93 -9.316 -3.094 1.799 1.00 0.00 C ATOM 1383 C PRO A 93 -10.414 -4.129 2.019 1.00 0.00 C ATOM 1384 O PRO A 93 -10.538 -4.688 3.108 1.00 0.00 O ATOM 1385 CB PRO A 93 -9.854 -1.685 2.078 1.00 0.00 C ATOM 1386 CG PRO A 93 -9.247 -0.823 1.028 1.00 0.00 C ATOM 1387 CD PRO A 93 -9.083 -1.697 -0.180 1.00 0.00 C ATOM 0 HA PRO A 93 -8.508 -3.399 2.463 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -10.943 -1.661 2.027 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -9.575 -1.347 3.076 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -9.886 0.032 0.807 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -8.286 -0.426 1.356 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -9.970 -1.681 -0.814 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -8.244 -1.378 -0.798 1.00 0.00 H new ATOM 1395 N GLU A 94 -11.210 -4.373 0.987 1.00 0.00 N ATOM 1396 CA GLU A 94 -12.295 -5.339 1.072 1.00 0.00 C ATOM 1397 C GLU A 94 -11.731 -6.755 1.110 1.00 0.00 C ATOM 1398 O GLU A 94 -12.108 -7.571 1.952 1.00 0.00 O ATOM 1399 CB GLU A 94 -13.239 -5.175 -0.119 1.00 0.00 C ATOM 1400 CG GLU A 94 -13.654 -3.734 -0.372 1.00 0.00 C ATOM 1401 CD GLU A 94 -14.279 -3.080 0.845 1.00 0.00 C ATOM 1402 OE1 GLU A 94 -15.370 -3.517 1.259 1.00 0.00 O ATOM 1403 OE2 GLU A 94 -13.682 -2.127 1.391 1.00 0.00 O ATOM 0 H GLU A 94 -11.124 -3.914 0.080 1.00 0.00 H new ATOM 0 HA GLU A 94 -12.857 -5.161 1.989 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -12.754 -5.567 -1.013 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -14.132 -5.777 0.050 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -12.781 -3.158 -0.680 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -14.363 -3.705 -1.199 1.00 0.00 H new ATOM 1410 N THR A 95 -10.809 -7.029 0.195 1.00 0.00 N ATOM 1411 CA THR A 95 -10.125 -8.311 0.150 1.00 0.00 C ATOM 1412 C THR A 95 -9.248 -8.491 1.387 1.00 0.00 C ATOM 1413 O THR A 95 -9.135 -9.584 1.936 1.00 0.00 O ATOM 1414 CB THR A 95 -9.251 -8.433 -1.113 1.00 0.00 C ATOM 1415 OG1 THR A 95 -10.019 -8.078 -2.274 1.00 0.00 O ATOM 1416 CG2 THR A 95 -8.721 -9.851 -1.267 1.00 0.00 C ATOM 0 H THR A 95 -10.518 -6.373 -0.530 1.00 0.00 H new ATOM 0 HA THR A 95 -10.888 -9.089 0.126 1.00 0.00 H new ATOM 0 HB THR A 95 -8.405 -7.753 -1.012 1.00 0.00 H new ATOM 0 HG1 THR A 95 -10.150 -7.107 -2.295 1.00 0.00 H new ATOM 0 HG21 THR A 95 -8.107 -9.914 -2.165 1.00 0.00 H new ATOM 0 HG22 THR A 95 -8.119 -10.111 -0.396 1.00 0.00 H new ATOM 0 HG23 THR A 95 -9.557 -10.545 -1.350 1.00 0.00 H new ATOM 1424 N ASP A 96 -8.639 -7.401 1.825 1.00 0.00 N ATOM 1425 CA ASP A 96 -7.778 -7.420 3.001 1.00 0.00 C ATOM 1426 C ASP A 96 -8.536 -7.902 4.230 1.00 0.00 C ATOM 1427 O ASP A 96 -7.979 -8.625 5.045 1.00 0.00 O ATOM 1428 CB ASP A 96 -7.185 -6.030 3.244 1.00 0.00 C ATOM 1429 CG ASP A 96 -6.304 -5.974 4.474 1.00 0.00 C ATOM 1430 OD1 ASP A 96 -5.112 -6.321 4.378 1.00 0.00 O ATOM 1431 OD2 ASP A 96 -6.795 -5.545 5.539 1.00 0.00 O ATOM 0 H ASP A 96 -8.725 -6.486 1.382 1.00 0.00 H new ATOM 0 HA ASP A 96 -6.964 -8.121 2.816 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -6.603 -5.731 2.372 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -7.995 -5.308 3.350 1.00 0.00 H new ATOM 1436 N GLU A 97 -9.813 -7.543 4.342 1.00 0.00 N ATOM 1437 CA GLU A 97 -10.621 -7.982 5.478 1.00 0.00 C ATOM 1438 C GLU A 97 -10.668 -9.506 5.550 1.00 0.00 C ATOM 1439 O GLU A 97 -10.444 -10.096 6.609 1.00 0.00 O ATOM 1440 CB GLU A 97 -12.045 -7.431 5.391 1.00 0.00 C ATOM 1441 CG GLU A 97 -12.885 -7.751 6.619 1.00 0.00 C ATOM 1442 CD GLU A 97 -14.344 -7.382 6.454 1.00 0.00 C ATOM 1443 OE1 GLU A 97 -14.662 -6.177 6.456 1.00 0.00 O ATOM 1444 OE2 GLU A 97 -15.187 -8.302 6.346 1.00 0.00 O ATOM 0 H GLU A 97 -10.306 -6.956 3.669 1.00 0.00 H new ATOM 0 HA GLU A 97 -10.151 -7.594 6.382 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -12.002 -6.350 5.259 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -12.534 -7.841 4.507 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -12.808 -8.816 6.837 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -12.477 -7.220 7.479 1.00 0.00 H new ATOM 1451 N GLN A 98 -10.948 -10.148 4.421 1.00 0.00 N ATOM 1452 CA GLN A 98 -11.004 -11.603 4.381 1.00 0.00 C ATOM 1453 C GLN A 98 -9.599 -12.196 4.502 1.00 0.00 C ATOM 1454 O GLN A 98 -9.407 -13.206 5.177 1.00 0.00 O ATOM 1455 CB GLN A 98 -11.721 -12.110 3.119 1.00 0.00 C ATOM 1456 CG GLN A 98 -11.031 -11.755 1.813 1.00 0.00 C ATOM 1457 CD GLN A 98 -11.789 -12.234 0.593 1.00 0.00 C ATOM 1458 OE1 GLN A 98 -12.619 -11.517 0.038 1.00 0.00 O ATOM 1459 NE2 GLN A 98 -11.515 -13.456 0.174 1.00 0.00 N ATOM 0 H GLN A 98 -11.138 -9.689 3.530 1.00 0.00 H new ATOM 0 HA GLN A 98 -11.591 -11.940 5.236 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -11.815 -13.194 3.182 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -12.732 -11.702 3.103 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -10.908 -10.673 1.756 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -10.032 -12.190 1.807 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -10.819 -14.019 0.663 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -11.999 -13.837 -0.639 1.00 0.00 H new ATOM 1468 N LEU A 99 -8.619 -11.555 3.861 1.00 0.00 N ATOM 1469 CA LEU A 99 -7.226 -11.994 3.953 1.00 0.00 C ATOM 1470 C LEU A 99 -6.732 -11.942 5.397 1.00 0.00 C ATOM 1471 O LEU A 99 -5.929 -12.773 5.817 1.00 0.00 O ATOM 1472 CB LEU A 99 -6.317 -11.138 3.064 1.00 0.00 C ATOM 1473 CG LEU A 99 -6.503 -11.329 1.557 1.00 0.00 C ATOM 1474 CD1 LEU A 99 -5.516 -10.466 0.791 1.00 0.00 C ATOM 1475 CD2 LEU A 99 -6.338 -12.794 1.175 1.00 0.00 C ATOM 0 H LEU A 99 -8.764 -10.733 3.275 1.00 0.00 H new ATOM 0 HA LEU A 99 -7.185 -13.026 3.603 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -6.487 -10.088 3.304 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -5.280 -11.358 3.316 1.00 0.00 H new ATOM 0 HG LEU A 99 -7.514 -11.020 1.293 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -5.660 -10.612 -0.280 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -5.680 -9.417 1.040 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -4.499 -10.748 1.062 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -6.474 -12.907 0.099 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -5.339 -13.132 1.452 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -7.082 -13.393 1.700 1.00 0.00 H new ATOM 1487 N GLN A 100 -7.227 -10.964 6.149 1.00 0.00 N ATOM 1488 CA GLN A 100 -6.893 -10.813 7.566 1.00 0.00 C ATOM 1489 C GLN A 100 -7.259 -12.068 8.348 1.00 0.00 C ATOM 1490 O GLN A 100 -6.507 -12.524 9.207 1.00 0.00 O ATOM 1491 CB GLN A 100 -7.650 -9.629 8.170 1.00 0.00 C ATOM 1492 CG GLN A 100 -7.079 -8.260 7.845 1.00 0.00 C ATOM 1493 CD GLN A 100 -7.880 -7.150 8.498 1.00 0.00 C ATOM 1494 OE1 GLN A 100 -8.436 -7.327 9.584 1.00 0.00 O ATOM 1495 NE2 GLN A 100 -7.973 -6.010 7.835 1.00 0.00 N ATOM 0 H GLN A 100 -7.869 -10.254 5.797 1.00 0.00 H new ATOM 0 HA GLN A 100 -5.819 -10.642 7.633 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -8.683 -9.665 7.824 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -7.672 -9.747 9.253 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -6.044 -8.208 8.181 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -7.071 -8.116 6.765 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -7.498 -5.901 6.939 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -8.519 -5.239 8.220 1.00 0.00 H new ATOM 1504 N LYS A 101 -8.422 -12.621 8.027 1.00 0.00 N ATOM 1505 CA LYS A 101 -8.964 -13.774 8.738 1.00 0.00 C ATOM 1506 C LYS A 101 -8.169 -15.033 8.421 1.00 0.00 C ATOM 1507 O LYS A 101 -8.199 -16.008 9.177 1.00 0.00 O ATOM 1508 CB LYS A 101 -10.428 -13.971 8.347 1.00 0.00 C ATOM 1509 CG LYS A 101 -11.257 -12.710 8.493 1.00 0.00 C ATOM 1510 CD LYS A 101 -12.654 -12.885 7.924 1.00 0.00 C ATOM 1511 CE LYS A 101 -13.436 -11.584 7.977 1.00 0.00 C ATOM 1512 NZ LYS A 101 -13.654 -11.117 9.373 1.00 0.00 N ATOM 0 H LYS A 101 -9.015 -12.285 7.269 1.00 0.00 H new ATOM 0 HA LYS A 101 -8.892 -13.587 9.809 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -10.479 -14.315 7.314 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.861 -14.757 8.966 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -11.325 -12.440 9.547 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -10.758 -11.886 7.984 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -12.589 -13.231 6.893 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -13.184 -13.654 8.485 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -12.900 -10.817 7.418 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -14.400 -11.721 7.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -14.303 -10.305 9.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -14.066 -11.888 9.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -12.745 -10.832 9.790 1.00 0.00 H new ATOM 1526 N LEU A 102 -7.468 -15.000 7.299 1.00 0.00 N ATOM 1527 CA LEU A 102 -6.665 -16.129 6.858 1.00 0.00 C ATOM 1528 C LEU A 102 -5.228 -15.980 7.344 1.00 0.00 C ATOM 1529 O LEU A 102 -4.610 -16.932 7.822 1.00 0.00 O ATOM 1530 CB LEU A 102 -6.690 -16.207 5.331 1.00 0.00 C ATOM 1531 CG LEU A 102 -8.087 -16.237 4.712 1.00 0.00 C ATOM 1532 CD1 LEU A 102 -8.016 -15.964 3.218 1.00 0.00 C ATOM 1533 CD2 LEU A 102 -8.764 -17.574 4.980 1.00 0.00 C ATOM 0 H LEU A 102 -7.439 -14.196 6.672 1.00 0.00 H new ATOM 0 HA LEU A 102 -7.081 -17.045 7.277 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -6.148 -15.351 4.929 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -6.150 -17.101 5.018 1.00 0.00 H new ATOM 0 HG LEU A 102 -8.684 -15.452 5.176 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -9.020 -15.990 2.795 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -7.576 -14.981 3.048 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -7.401 -16.725 2.738 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -9.757 -17.575 4.531 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -8.169 -18.377 4.545 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -8.852 -17.728 6.055 1.00 0.00 H new ATOM 1545 N GLY A 103 -4.718 -14.767 7.225 1.00 0.00 N ATOM 1546 CA GLY A 103 -3.357 -14.474 7.607 1.00 0.00 C ATOM 1547 C GLY A 103 -2.781 -13.383 6.734 1.00 0.00 C ATOM 1548 O GLY A 103 -2.131 -13.667 5.730 1.00 0.00 O ATOM 0 H GLY A 103 -5.235 -13.966 6.863 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -3.326 -14.165 8.652 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -2.748 -15.374 7.522 1.00 0.00 H new ATOM 1552 N VAL A 104 -3.041 -12.133 7.101 1.00 0.00 N ATOM 1553 CA VAL A 104 -2.630 -10.994 6.290 1.00 0.00 C ATOM 1554 C VAL A 104 -1.104 -10.849 6.242 1.00 0.00 C ATOM 1555 O VAL A 104 -0.480 -10.187 7.074 1.00 0.00 O ATOM 1556 CB VAL A 104 -3.297 -9.681 6.771 1.00 0.00 C ATOM 1557 CG1 VAL A 104 -3.116 -9.486 8.270 1.00 0.00 C ATOM 1558 CG2 VAL A 104 -2.760 -8.483 5.998 1.00 0.00 C ATOM 0 H VAL A 104 -3.536 -11.883 7.957 1.00 0.00 H new ATOM 0 HA VAL A 104 -2.973 -11.189 5.274 1.00 0.00 H new ATOM 0 HB VAL A 104 -4.366 -9.760 6.573 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -3.595 -8.556 8.576 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -3.570 -10.321 8.803 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -2.053 -9.441 8.505 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -3.244 -7.574 6.354 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -1.683 -8.405 6.150 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -2.968 -8.612 4.936 1.00 0.00 H new ATOM 1568 N GLN A 105 -0.514 -11.499 5.254 1.00 0.00 N ATOM 1569 CA GLN A 105 0.917 -11.425 5.015 1.00 0.00 C ATOM 1570 C GLN A 105 1.206 -10.502 3.835 1.00 0.00 C ATOM 1571 O GLN A 105 2.265 -10.580 3.207 1.00 0.00 O ATOM 1572 CB GLN A 105 1.464 -12.824 4.743 1.00 0.00 C ATOM 1573 CG GLN A 105 1.434 -13.735 5.962 1.00 0.00 C ATOM 1574 CD GLN A 105 1.824 -15.169 5.646 1.00 0.00 C ATOM 1575 OE1 GLN A 105 2.416 -15.859 6.476 1.00 0.00 O ATOM 1576 NE2 GLN A 105 1.474 -15.637 4.455 1.00 0.00 N ATOM 0 H GLN A 105 -1.014 -12.094 4.594 1.00 0.00 H new ATOM 0 HA GLN A 105 1.408 -11.018 5.899 1.00 0.00 H new ATOM 0 HB2 GLN A 105 0.884 -13.283 3.942 1.00 0.00 H new ATOM 0 HB3 GLN A 105 2.491 -12.741 4.386 1.00 0.00 H new ATOM 0 HG2 GLN A 105 2.110 -13.340 6.720 1.00 0.00 H new ATOM 0 HG3 GLN A 105 0.432 -13.724 6.392 1.00 0.00 H new ATOM 0 HE21 GLN A 105 0.984 -15.034 3.794 1.00 0.00 H new ATOM 0 HE22 GLN A 105 1.695 -16.600 4.200 1.00 0.00 H new ATOM 1585 N VAL A 106 0.255 -9.616 3.551 1.00 0.00 N ATOM 1586 CA VAL A 106 0.351 -8.701 2.416 1.00 0.00 C ATOM 1587 C VAL A 106 1.491 -7.700 2.596 1.00 0.00 C ATOM 1588 O VAL A 106 1.960 -7.103 1.634 1.00 0.00 O ATOM 1589 CB VAL A 106 -0.975 -7.924 2.198 1.00 0.00 C ATOM 1590 CG1 VAL A 106 -2.170 -8.865 2.243 1.00 0.00 C ATOM 1591 CG2 VAL A 106 -1.144 -6.785 3.204 1.00 0.00 C ATOM 0 H VAL A 106 -0.600 -9.512 4.098 1.00 0.00 H new ATOM 0 HA VAL A 106 0.553 -9.316 1.539 1.00 0.00 H new ATOM 0 HB VAL A 106 -0.925 -7.476 1.206 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -3.087 -8.296 2.088 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -2.071 -9.616 1.459 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -2.209 -9.358 3.215 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -2.085 -6.269 3.014 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -1.150 -7.191 4.216 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -0.317 -6.082 3.100 1.00 0.00 H new ATOM 1601 N ARG A 107 1.941 -7.559 3.838 1.00 0.00 N ATOM 1602 CA ARG A 107 2.877 -6.507 4.223 1.00 0.00 C ATOM 1603 C ARG A 107 4.237 -6.610 3.534 1.00 0.00 C ATOM 1604 O ARG A 107 4.851 -5.588 3.244 1.00 0.00 O ATOM 1605 CB ARG A 107 3.053 -6.501 5.739 1.00 0.00 C ATOM 1606 CG ARG A 107 3.361 -7.866 6.339 1.00 0.00 C ATOM 1607 CD ARG A 107 3.256 -7.833 7.857 1.00 0.00 C ATOM 1608 NE ARG A 107 1.943 -7.356 8.295 1.00 0.00 N ATOM 1609 CZ ARG A 107 1.698 -6.097 8.664 1.00 0.00 C ATOM 1610 NH1 ARG A 107 2.688 -5.223 8.741 1.00 0.00 N ATOM 1611 NH2 ARG A 107 0.471 -5.713 8.967 1.00 0.00 N ATOM 0 H ARG A 107 1.668 -8.171 4.607 1.00 0.00 H new ATOM 0 HA ARG A 107 2.440 -5.566 3.889 1.00 0.00 H new ATOM 0 HB2 ARG A 107 3.859 -5.814 5.997 1.00 0.00 H new ATOM 0 HB3 ARG A 107 2.143 -6.112 6.197 1.00 0.00 H new ATOM 0 HG2 ARG A 107 2.669 -8.607 5.939 1.00 0.00 H new ATOM 0 HG3 ARG A 107 4.364 -8.177 6.047 1.00 0.00 H new ATOM 0 HD2 ARG A 107 3.433 -8.832 8.257 1.00 0.00 H new ATOM 0 HD3 ARG A 107 4.033 -7.185 8.262 1.00 0.00 H new ATOM 0 HE ARG A 107 1.172 -8.023 8.320 1.00 0.00 H new ATOM 0 HH11 ARG A 107 3.641 -5.511 8.518 1.00 0.00 H new ATOM 0 HH12 ARG A 107 2.498 -4.261 9.023 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -0.299 -6.381 8.920 1.00 0.00 H new ATOM 0 HH22 ARG A 107 0.293 -4.749 9.248 1.00 0.00 H new ATOM 1625 N GLU A 108 4.706 -7.823 3.267 1.00 0.00 N ATOM 1626 CA GLU A 108 6.028 -8.001 2.667 1.00 0.00 C ATOM 1627 C GLU A 108 6.311 -9.481 2.462 1.00 0.00 C ATOM 1628 O GLU A 108 7.041 -9.865 1.561 1.00 0.00 O ATOM 1629 CB GLU A 108 7.106 -7.381 3.572 1.00 0.00 C ATOM 1630 CG GLU A 108 8.329 -6.847 2.836 1.00 0.00 C ATOM 1631 CD GLU A 108 9.300 -7.927 2.414 1.00 0.00 C ATOM 1632 OE1 GLU A 108 9.967 -8.512 3.299 1.00 0.00 O ATOM 1633 OE2 GLU A 108 9.419 -8.184 1.201 1.00 0.00 O ATOM 0 H GLU A 108 4.200 -8.689 3.452 1.00 0.00 H new ATOM 0 HA GLU A 108 6.047 -7.499 1.700 1.00 0.00 H new ATOM 0 HB2 GLU A 108 6.658 -6.567 4.141 1.00 0.00 H new ATOM 0 HB3 GLU A 108 7.432 -8.132 4.292 1.00 0.00 H new ATOM 0 HG2 GLU A 108 8.001 -6.299 1.952 1.00 0.00 H new ATOM 0 HG3 GLU A 108 8.847 -6.135 3.478 1.00 0.00 H new ATOM 1640 N GLU A 109 5.702 -10.308 3.301 1.00 0.00 N ATOM 1641 CA GLU A 109 5.952 -11.746 3.291 1.00 0.00 C ATOM 1642 C GLU A 109 5.695 -12.347 1.903 1.00 0.00 C ATOM 1643 O GLU A 109 6.462 -13.184 1.430 1.00 0.00 O ATOM 1644 CB GLU A 109 5.074 -12.438 4.342 1.00 0.00 C ATOM 1645 CG GLU A 109 4.945 -11.659 5.652 1.00 0.00 C ATOM 1646 CD GLU A 109 6.281 -11.246 6.242 1.00 0.00 C ATOM 1647 OE1 GLU A 109 6.957 -12.094 6.861 1.00 0.00 O ATOM 1648 OE2 GLU A 109 6.663 -10.067 6.091 1.00 0.00 O ATOM 0 H GLU A 109 5.026 -10.006 4.003 1.00 0.00 H new ATOM 0 HA GLU A 109 7.001 -11.910 3.536 1.00 0.00 H new ATOM 0 HB2 GLU A 109 4.079 -12.594 3.924 1.00 0.00 H new ATOM 0 HB3 GLU A 109 5.489 -13.423 4.556 1.00 0.00 H new ATOM 0 HG2 GLU A 109 4.342 -10.768 5.478 1.00 0.00 H new ATOM 0 HG3 GLU A 109 4.409 -12.270 6.378 1.00 0.00 H new ATOM 1655 N LEU A 110 4.630 -11.901 1.246 1.00 0.00 N ATOM 1656 CA LEU A 110 4.301 -12.382 -0.098 1.00 0.00 C ATOM 1657 C LEU A 110 5.161 -11.717 -1.166 1.00 0.00 C ATOM 1658 O LEU A 110 5.240 -12.189 -2.299 1.00 0.00 O ATOM 1659 CB LEU A 110 2.825 -12.170 -0.407 1.00 0.00 C ATOM 1660 CG LEU A 110 1.871 -13.052 0.393 1.00 0.00 C ATOM 1661 CD1 LEU A 110 0.441 -12.815 -0.053 1.00 0.00 C ATOM 1662 CD2 LEU A 110 2.247 -14.523 0.240 1.00 0.00 C ATOM 0 H LEU A 110 3.979 -11.209 1.618 1.00 0.00 H new ATOM 0 HA LEU A 110 4.514 -13.451 -0.114 1.00 0.00 H new ATOM 0 HB2 LEU A 110 2.575 -11.126 -0.220 1.00 0.00 H new ATOM 0 HB3 LEU A 110 2.661 -12.351 -1.469 1.00 0.00 H new ATOM 0 HG LEU A 110 1.953 -12.788 1.447 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -0.230 -13.450 0.525 1.00 0.00 H new ATOM 0 HD12 LEU A 110 0.179 -11.769 0.107 1.00 0.00 H new ATOM 0 HD13 LEU A 110 0.346 -13.055 -1.112 1.00 0.00 H new ATOM 0 HD21 LEU A 110 1.556 -15.137 0.817 1.00 0.00 H new ATOM 0 HD22 LEU A 110 2.192 -14.805 -0.811 1.00 0.00 H new ATOM 0 HD23 LEU A 110 3.262 -14.679 0.605 1.00 0.00 H new ATOM 1674 N LEU A 111 5.779 -10.606 -0.812 1.00 0.00 N ATOM 1675 CA LEU A 111 6.718 -9.930 -1.701 1.00 0.00 C ATOM 1676 C LEU A 111 8.061 -10.647 -1.632 1.00 0.00 C ATOM 1677 O LEU A 111 8.955 -10.429 -2.451 1.00 0.00 O ATOM 1678 CB LEU A 111 6.886 -8.458 -1.295 1.00 0.00 C ATOM 1679 CG LEU A 111 5.713 -7.520 -1.621 1.00 0.00 C ATOM 1680 CD1 LEU A 111 4.441 -7.935 -0.896 1.00 0.00 C ATOM 1681 CD2 LEU A 111 6.077 -6.094 -1.249 1.00 0.00 C ATOM 0 H LEU A 111 5.650 -10.147 0.089 1.00 0.00 H new ATOM 0 HA LEU A 111 6.333 -9.957 -2.720 1.00 0.00 H new ATOM 0 HB2 LEU A 111 7.066 -8.419 -0.221 1.00 0.00 H new ATOM 0 HB3 LEU A 111 7.780 -8.069 -1.783 1.00 0.00 H new ATOM 0 HG LEU A 111 5.521 -7.585 -2.692 1.00 0.00 H new ATOM 0 HD11 LEU A 111 3.635 -7.247 -1.153 1.00 0.00 H new ATOM 0 HD12 LEU A 111 4.165 -8.946 -1.196 1.00 0.00 H new ATOM 0 HD13 LEU A 111 4.611 -7.909 0.180 1.00 0.00 H new ATOM 0 HD21 LEU A 111 5.242 -5.433 -1.482 1.00 0.00 H new ATOM 0 HD22 LEU A 111 6.295 -6.041 -0.182 1.00 0.00 H new ATOM 0 HD23 LEU A 111 6.955 -5.783 -1.815 1.00 0.00 H new ATOM 1693 N ARG A 112 8.167 -11.509 -0.635 1.00 0.00 N ATOM 1694 CA ARG A 112 9.368 -12.269 -0.365 1.00 0.00 C ATOM 1695 C ARG A 112 9.265 -13.658 -0.981 1.00 0.00 C ATOM 1696 O ARG A 112 10.061 -14.023 -1.845 1.00 0.00 O ATOM 1697 CB ARG A 112 9.538 -12.376 1.145 1.00 0.00 C ATOM 1698 CG ARG A 112 10.853 -12.974 1.610 1.00 0.00 C ATOM 1699 CD ARG A 112 10.899 -13.010 3.126 1.00 0.00 C ATOM 1700 NE ARG A 112 10.478 -11.729 3.692 1.00 0.00 N ATOM 1701 CZ ARG A 112 9.510 -11.592 4.596 1.00 0.00 C ATOM 1702 NH1 ARG A 112 8.930 -12.659 5.132 1.00 0.00 N ATOM 1703 NH2 ARG A 112 9.119 -10.380 4.961 1.00 0.00 N ATOM 0 H ARG A 112 7.407 -11.701 0.018 1.00 0.00 H new ATOM 0 HA ARG A 112 10.231 -11.768 -0.804 1.00 0.00 H new ATOM 0 HB2 ARG A 112 9.438 -11.380 1.577 1.00 0.00 H new ATOM 0 HB3 ARG A 112 8.723 -12.979 1.544 1.00 0.00 H new ATOM 0 HG2 ARG A 112 10.965 -13.982 1.210 1.00 0.00 H new ATOM 0 HG3 ARG A 112 11.686 -12.385 1.227 1.00 0.00 H new ATOM 0 HD2 ARG A 112 10.251 -13.805 3.495 1.00 0.00 H new ATOM 0 HD3 ARG A 112 11.911 -13.244 3.458 1.00 0.00 H new ATOM 0 HE ARG A 112 10.957 -10.886 3.374 1.00 0.00 H new ATOM 0 HH11 ARG A 112 9.225 -13.594 4.852 1.00 0.00 H new ATOM 0 HH12 ARG A 112 8.189 -12.543 5.824 1.00 0.00 H new ATOM 0 HH21 ARG A 112 9.559 -9.557 4.550 1.00 0.00 H new ATOM 0 HH22 ARG A 112 8.378 -10.270 5.653 1.00 0.00 H new ATOM 1717 N ALA A 113 8.273 -14.429 -0.545 1.00 0.00 N ATOM 1718 CA ALA A 113 8.118 -15.796 -1.018 1.00 0.00 C ATOM 1719 C ALA A 113 6.665 -16.246 -0.973 1.00 0.00 C ATOM 1720 O ALA A 113 5.909 -15.868 -0.076 1.00 0.00 O ATOM 1721 CB ALA A 113 8.967 -16.735 -0.181 1.00 0.00 C ATOM 0 H ALA A 113 7.570 -14.131 0.131 1.00 0.00 H new ATOM 0 HA ALA A 113 8.449 -15.825 -2.056 1.00 0.00 H new ATOM 0 HB1 ALA A 113 8.844 -17.756 -0.542 1.00 0.00 H new ATOM 0 HB2 ALA A 113 10.015 -16.446 -0.260 1.00 0.00 H new ATOM 0 HB3 ALA A 113 8.652 -16.679 0.861 1.00 0.00 H new ATOM 1727 N GLN A 114 6.274 -17.039 -1.958 1.00 0.00 N ATOM 1728 CA GLN A 114 4.973 -17.681 -1.960 1.00 0.00 C ATOM 1729 C GLN A 114 5.031 -18.975 -1.158 1.00 0.00 C ATOM 1730 O GLN A 114 5.502 -19.998 -1.656 1.00 0.00 O ATOM 1731 CB GLN A 114 4.534 -17.981 -3.395 1.00 0.00 C ATOM 1732 CG GLN A 114 3.938 -16.791 -4.134 1.00 0.00 C ATOM 1733 CD GLN A 114 4.807 -15.550 -4.090 1.00 0.00 C ATOM 1734 OE1 GLN A 114 5.673 -15.352 -4.941 1.00 0.00 O ATOM 1735 NE2 GLN A 114 4.573 -14.701 -3.100 1.00 0.00 N ATOM 0 H GLN A 114 6.848 -17.254 -2.774 1.00 0.00 H new ATOM 0 HA GLN A 114 4.249 -17.007 -1.502 1.00 0.00 H new ATOM 0 HB2 GLN A 114 5.394 -18.347 -3.956 1.00 0.00 H new ATOM 0 HB3 GLN A 114 3.799 -18.786 -3.376 1.00 0.00 H new ATOM 0 HG2 GLN A 114 3.768 -17.068 -5.174 1.00 0.00 H new ATOM 0 HG3 GLN A 114 2.964 -16.558 -3.703 1.00 0.00 H new ATOM 0 HE21 GLN A 114 3.845 -14.904 -2.415 1.00 0.00 H new ATOM 0 HE22 GLN A 114 5.121 -13.844 -3.023 1.00 0.00 H new ATOM 1744 N GLU A 115 4.576 -18.920 0.085 1.00 0.00 N ATOM 1745 CA GLU A 115 4.573 -20.093 0.950 1.00 0.00 C ATOM 1746 C GLU A 115 3.472 -21.063 0.563 1.00 0.00 C ATOM 1747 O GLU A 115 2.395 -21.102 1.165 1.00 0.00 O ATOM 1748 CB GLU A 115 4.447 -19.683 2.407 1.00 0.00 C ATOM 1749 CG GLU A 115 5.761 -19.214 2.997 1.00 0.00 C ATOM 1750 CD GLU A 115 6.801 -20.317 3.047 1.00 0.00 C ATOM 1751 OE1 GLU A 115 6.744 -21.146 3.984 1.00 0.00 O ATOM 1752 OE2 GLU A 115 7.674 -20.371 2.155 1.00 0.00 O ATOM 0 H GLU A 115 4.204 -18.075 0.519 1.00 0.00 H new ATOM 0 HA GLU A 115 5.525 -20.607 0.819 1.00 0.00 H new ATOM 0 HB2 GLU A 115 3.709 -18.885 2.493 1.00 0.00 H new ATOM 0 HB3 GLU A 115 4.073 -20.527 2.987 1.00 0.00 H new ATOM 0 HG2 GLU A 115 6.145 -18.383 2.405 1.00 0.00 H new ATOM 0 HG3 GLU A 115 5.589 -18.835 4.004 1.00 0.00 H new ATOM 1759 N ALA A 116 3.781 -21.830 -0.462 1.00 0.00 N ATOM 1760 CA ALA A 116 2.897 -22.856 -0.997 1.00 0.00 C ATOM 1761 C ALA A 116 3.584 -23.583 -2.141 1.00 0.00 C ATOM 1762 O ALA A 116 3.253 -23.373 -3.314 1.00 0.00 O ATOM 1763 CB ALA A 116 1.591 -22.257 -1.483 1.00 0.00 C ATOM 0 H ALA A 116 4.669 -21.760 -0.959 1.00 0.00 H new ATOM 0 HA ALA A 116 2.672 -23.561 -0.196 1.00 0.00 H new ATOM 0 HB1 ALA A 116 0.952 -23.048 -1.877 1.00 0.00 H new ATOM 0 HB2 ALA A 116 1.086 -21.762 -0.653 1.00 0.00 H new ATOM 0 HB3 ALA A 116 1.794 -21.530 -2.269 1.00 0.00 H new ATOM 1769 N PRO A 117 4.579 -24.419 -1.824 1.00 0.00 N ATOM 1770 CA PRO A 117 5.317 -25.195 -2.820 1.00 0.00 C ATOM 1771 C PRO A 117 4.472 -26.306 -3.433 1.00 0.00 C ATOM 1772 O PRO A 117 4.668 -27.490 -3.152 1.00 0.00 O ATOM 1773 CB PRO A 117 6.478 -25.796 -2.032 1.00 0.00 C ATOM 1774 CG PRO A 117 6.505 -25.064 -0.732 1.00 0.00 C ATOM 1775 CD PRO A 117 5.085 -24.668 -0.469 1.00 0.00 C ATOM 0 HA PRO A 117 5.631 -24.572 -3.657 1.00 0.00 H new ATOM 0 HB2 PRO A 117 6.334 -26.865 -1.876 1.00 0.00 H new ATOM 0 HB3 PRO A 117 7.419 -25.676 -2.569 1.00 0.00 H new ATOM 0 HG2 PRO A 117 6.891 -25.697 0.067 1.00 0.00 H new ATOM 0 HG3 PRO A 117 7.153 -24.189 -0.787 1.00 0.00 H new ATOM 0 HD2 PRO A 117 4.528 -25.458 0.035 1.00 0.00 H new ATOM 0 HD3 PRO A 117 5.019 -23.780 0.160 1.00 0.00 H new ATOM 1783 N GLY A 118 3.524 -25.907 -4.258 1.00 0.00 N ATOM 1784 CA GLY A 118 2.676 -26.858 -4.948 1.00 0.00 C ATOM 1785 C GLY A 118 3.249 -27.261 -6.289 1.00 0.00 C ATOM 1786 O GLY A 118 3.282 -28.445 -6.629 1.00 0.00 O ATOM 0 H GLY A 118 3.322 -24.929 -4.467 1.00 0.00 H new ATOM 0 HA2 GLY A 118 2.547 -27.745 -4.328 1.00 0.00 H new ATOM 0 HA3 GLY A 118 1.687 -26.423 -5.092 1.00 0.00 H new ATOM 1790 N GLN A 119 3.711 -26.273 -7.049 1.00 0.00 N ATOM 1791 CA GLN A 119 4.303 -26.518 -8.363 1.00 0.00 C ATOM 1792 C GLN A 119 5.581 -27.339 -8.239 1.00 0.00 C ATOM 1793 O GLN A 119 5.881 -28.176 -9.093 1.00 0.00 O ATOM 1794 CB GLN A 119 4.607 -25.192 -9.064 1.00 0.00 C ATOM 1795 CG GLN A 119 3.367 -24.392 -9.422 1.00 0.00 C ATOM 1796 CD GLN A 119 3.700 -23.009 -9.942 1.00 0.00 C ATOM 1797 OE1 GLN A 119 3.788 -22.053 -9.171 1.00 0.00 O ATOM 1798 NE2 GLN A 119 3.894 -22.889 -11.246 1.00 0.00 N ATOM 0 H GLN A 119 3.687 -25.290 -6.777 1.00 0.00 H new ATOM 0 HA GLN A 119 3.584 -27.082 -8.957 1.00 0.00 H new ATOM 0 HB2 GLN A 119 5.244 -24.588 -8.418 1.00 0.00 H new ATOM 0 HB3 GLN A 119 5.174 -25.393 -9.973 1.00 0.00 H new ATOM 0 HG2 GLN A 119 2.795 -24.932 -10.176 1.00 0.00 H new ATOM 0 HG3 GLN A 119 2.730 -24.302 -8.542 1.00 0.00 H new ATOM 0 HE21 GLN A 119 3.812 -23.706 -11.851 1.00 0.00 H new ATOM 0 HE22 GLN A 119 4.126 -21.980 -11.646 1.00 0.00 H new ATOM 1807 N ALA A 120 6.328 -27.091 -7.174 1.00 0.00 N ATOM 1808 CA ALA A 120 7.566 -27.806 -6.918 1.00 0.00 C ATOM 1809 C ALA A 120 7.717 -28.069 -5.425 1.00 0.00 C ATOM 1810 O ALA A 120 7.341 -29.172 -4.977 1.00 0.00 O ATOM 1811 CB ALA A 120 8.756 -27.019 -7.453 1.00 0.00 C ATOM 1812 OXT ALA A 120 8.181 -27.161 -4.705 1.00 0.00 O ATOM 0 H ALA A 120 6.094 -26.393 -6.468 1.00 0.00 H new ATOM 0 HA ALA A 120 7.534 -28.764 -7.437 1.00 0.00 H new ATOM 0 HB1 ALA A 120 9.676 -27.569 -7.253 1.00 0.00 H new ATOM 0 HB2 ALA A 120 8.645 -26.877 -8.528 1.00 0.00 H new ATOM 0 HB3 ALA A 120 8.800 -26.047 -6.961 1.00 0.00 H new TER 1818 ALA A 120