USER MOD reduce.3.24.130724 H: found=0, std=0, add=959, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 962 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 37 GLN : amide:sc= 0.649 K(o=1.8,f=-3.7!) USER MOD Set 1.2: A 72 HIS : no HE2:sc= -0.0728 K(o=1.8,f=-10!) USER MOD Set 1.3: B 3 THR OG1 : rot 118:sc= 1.18 USER MOD Set 2.1: A 19 LYS NZ :NH3+ -122:sc= 0.204 (180deg=-0.0215) USER MOD Set 2.2: A 24 TYR OH : rot -158:sc= 1.07 USER MOD Single : A 9 THR OG1 : rot -33:sc= 0.332 USER MOD Single : A 10 MET CE :methyl -176:sc= -0.516 (180deg=-0.57) USER MOD Single : A 15 CYS SG : rot -68:sc= 0.0009 USER MOD Single : A 16 CYS SG : rot 43:sc= 0.159 USER MOD Single : A 22 ASN : amide:sc= 0.558 K(o=0.56,f=-7.1!) USER MOD Single : A 27 HIS : no HE2:sc= 1.06 K(o=1.1,f=-3.4!) USER MOD Single : A 29 HIS :FLIP no HD1:sc= -1.37 F(o=-2.5!,f=-1.4) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -61:sc= 1.19 USER MOD Single : A 50 LYS NZ :NH3+ 174:sc= 1.28 (180deg=1.19) USER MOD Single : A 63 ASN : amide:sc= 0.886 K(o=0.89,f=-5.9!) USER MOD Single : A 66 ASN : amide:sc= -0.0785 X(o=-0.079,f=-0.023) USER MOD Single : A 69 LYS NZ :NH3+ -173:sc=-0.00341 (180deg=-0.0829) USER MOD Single : A 71 THR OG1 : rot -174:sc= -2.36! USER MOD Single : A 73 GLN : amide:sc= -0.244 X(o=-0.24,f=-0.61) USER MOD Single : A 74 GLN : amide:sc= -0.128 K(o=-0.13,f=-0.65) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN :FLIP amide:sc=-0.00572 F(o=-0.96,f=-0.0057) USER MOD Single : A 95 THR OG1 : rot 180:sc= -1.29 USER MOD Single : A 98 GLN : amide:sc= -0.256 X(o=-0.26,f=-0.028) USER MOD Single : A 100 GLN :FLIP amide:sc= -0.0471 F(o=-0.88,f=-0.047) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN :FLIP amide:sc= 0 F(o=-0.62,f=0) USER MOD Single : A 114 GLN :FLIP amide:sc= -0.524 F(o=-1.6,f=-0.52) USER MOD Single : A 119 GLN : amide:sc= -0.272! C(o=-0.27!,f=-4.1!) USER MOD Single : B 1 GLN : amide:sc= -1.68 K(o=-1.7,f=-3) USER MOD Single : B 1 GLN N :NH3+ 138:sc= -0.632 (180deg=-1.91) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 4 -26.205 -14.187 -1.711 1.00 0.00 N ATOM 2 CA GLY A 4 -26.089 -15.364 -2.599 1.00 0.00 C ATOM 3 C GLY A 4 -24.692 -15.934 -2.581 1.00 0.00 C ATOM 4 O GLY A 4 -24.130 -16.182 -1.513 1.00 0.00 O ATOM 0 HA2 GLY A 4 -26.799 -16.129 -2.286 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -26.354 -15.080 -3.617 1.00 0.00 H new ATOM 10 N ILE A 5 -24.122 -16.128 -3.760 1.00 0.00 N ATOM 11 CA ILE A 5 -22.751 -16.605 -3.872 1.00 0.00 C ATOM 12 C ILE A 5 -21.778 -15.442 -3.742 1.00 0.00 C ATOM 13 O ILE A 5 -22.185 -14.275 -3.720 1.00 0.00 O ATOM 14 CB ILE A 5 -22.509 -17.352 -5.209 1.00 0.00 C ATOM 15 CG1 ILE A 5 -22.818 -16.462 -6.418 1.00 0.00 C ATOM 16 CG2 ILE A 5 -23.346 -18.621 -5.265 1.00 0.00 C ATOM 17 CD1 ILE A 5 -21.628 -15.677 -6.931 1.00 0.00 C ATOM 0 H ILE A 5 -24.587 -15.963 -4.653 1.00 0.00 H new ATOM 0 HA ILE A 5 -22.581 -17.312 -3.060 1.00 0.00 H new ATOM 0 HB ILE A 5 -21.453 -17.618 -5.252 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -23.203 -17.085 -7.225 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -23.611 -15.764 -6.148 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -23.165 -19.135 -6.209 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -23.071 -19.275 -4.438 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -24.402 -18.364 -5.188 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -21.932 -15.074 -7.786 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -21.254 -15.025 -6.141 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -20.841 -16.367 -7.235 1.00 0.00 H new ATOM 29 N ASP A 6 -20.500 -15.757 -3.652 1.00 0.00 N ATOM 30 CA ASP A 6 -19.478 -14.737 -3.544 1.00 0.00 C ATOM 31 C ASP A 6 -18.412 -14.913 -4.618 1.00 0.00 C ATOM 32 O ASP A 6 -17.672 -15.898 -4.634 1.00 0.00 O ATOM 33 CB ASP A 6 -18.840 -14.731 -2.149 1.00 0.00 C ATOM 34 CG ASP A 6 -18.203 -16.057 -1.765 1.00 0.00 C ATOM 35 OD1 ASP A 6 -18.946 -17.010 -1.442 1.00 0.00 O ATOM 36 OD2 ASP A 6 -16.956 -16.153 -1.766 1.00 0.00 O ATOM 0 H ASP A 6 -20.146 -16.713 -3.652 1.00 0.00 H new ATOM 0 HA ASP A 6 -19.962 -13.773 -3.697 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -18.082 -13.948 -2.109 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -19.601 -14.476 -1.412 1.00 0.00 H new ATOM 41 N PRO A 7 -18.366 -13.970 -5.564 1.00 0.00 N ATOM 42 CA PRO A 7 -17.306 -13.895 -6.558 1.00 0.00 C ATOM 43 C PRO A 7 -16.116 -13.112 -6.020 1.00 0.00 C ATOM 44 O PRO A 7 -16.185 -12.531 -4.932 1.00 0.00 O ATOM 45 CB PRO A 7 -17.972 -13.134 -7.703 1.00 0.00 C ATOM 46 CG PRO A 7 -18.960 -12.234 -7.041 1.00 0.00 C ATOM 47 CD PRO A 7 -19.364 -12.900 -5.748 1.00 0.00 C ATOM 0 HA PRO A 7 -16.917 -14.871 -6.849 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -17.241 -12.564 -8.277 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -18.462 -13.816 -8.398 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -18.522 -11.254 -6.850 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -19.828 -12.076 -7.681 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -19.350 -12.196 -4.916 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -20.375 -13.304 -5.807 1.00 0.00 H new ATOM 55 N PHE A 8 -15.033 -13.076 -6.779 1.00 0.00 N ATOM 56 CA PHE A 8 -13.851 -12.340 -6.361 1.00 0.00 C ATOM 57 C PHE A 8 -14.029 -10.853 -6.661 1.00 0.00 C ATOM 58 O PHE A 8 -13.247 -10.239 -7.384 1.00 0.00 O ATOM 59 CB PHE A 8 -12.600 -12.889 -7.045 1.00 0.00 C ATOM 60 CG PHE A 8 -11.321 -12.452 -6.391 1.00 0.00 C ATOM 61 CD1 PHE A 8 -11.247 -12.314 -5.012 1.00 0.00 C ATOM 62 CD2 PHE A 8 -10.191 -12.194 -7.149 1.00 0.00 C ATOM 63 CE1 PHE A 8 -10.069 -11.927 -4.406 1.00 0.00 C ATOM 64 CE2 PHE A 8 -9.012 -11.802 -6.547 1.00 0.00 C ATOM 65 CZ PHE A 8 -8.948 -11.670 -5.174 1.00 0.00 C ATOM 0 H PHE A 8 -14.948 -13.544 -7.681 1.00 0.00 H new ATOM 0 HA PHE A 8 -13.723 -12.465 -5.286 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -12.645 -13.978 -7.047 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -12.594 -12.568 -8.087 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -12.120 -12.511 -4.407 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -10.233 -12.301 -8.223 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -10.023 -11.825 -3.332 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -8.140 -11.599 -7.150 1.00 0.00 H new ATOM 0 HZ PHE A 8 -8.025 -11.367 -4.701 1.00 0.00 H new ATOM 75 N THR A 9 -15.085 -10.292 -6.093 1.00 0.00 N ATOM 76 CA THR A 9 -15.427 -8.893 -6.277 1.00 0.00 C ATOM 77 C THR A 9 -14.905 -8.068 -5.112 1.00 0.00 C ATOM 78 O THR A 9 -15.023 -6.842 -5.085 1.00 0.00 O ATOM 79 CB THR A 9 -16.955 -8.737 -6.381 1.00 0.00 C ATOM 80 OG1 THR A 9 -17.309 -7.379 -6.668 1.00 0.00 O ATOM 81 CG2 THR A 9 -17.639 -9.190 -5.096 1.00 0.00 C ATOM 0 H THR A 9 -15.732 -10.799 -5.488 1.00 0.00 H new ATOM 0 HA THR A 9 -14.966 -8.537 -7.198 1.00 0.00 H new ATOM 0 HB THR A 9 -17.297 -9.370 -7.199 1.00 0.00 H new ATOM 0 HG1 THR A 9 -16.669 -6.776 -6.236 1.00 0.00 H new ATOM 0 HG21 THR A 9 -18.718 -9.069 -5.196 1.00 0.00 H new ATOM 0 HG22 THR A 9 -17.407 -10.239 -4.910 1.00 0.00 H new ATOM 0 HG23 THR A 9 -17.282 -8.586 -4.262 1.00 0.00 H new ATOM 89 N MET A 10 -14.338 -8.768 -4.151 1.00 0.00 N ATOM 90 CA MET A 10 -13.818 -8.153 -2.939 1.00 0.00 C ATOM 91 C MET A 10 -12.458 -7.499 -3.177 1.00 0.00 C ATOM 92 O MET A 10 -11.453 -7.897 -2.595 1.00 0.00 O ATOM 93 CB MET A 10 -13.726 -9.200 -1.824 1.00 0.00 C ATOM 94 CG MET A 10 -12.916 -10.439 -2.187 1.00 0.00 C ATOM 95 SD MET A 10 -12.934 -11.681 -0.878 1.00 0.00 S ATOM 96 CE MET A 10 -11.896 -12.955 -1.588 1.00 0.00 C ATOM 0 H MET A 10 -14.223 -9.781 -4.185 1.00 0.00 H new ATOM 0 HA MET A 10 -14.507 -7.365 -2.636 1.00 0.00 H new ATOM 0 HB2 MET A 10 -13.282 -8.736 -0.943 1.00 0.00 H new ATOM 0 HB3 MET A 10 -14.734 -9.508 -1.548 1.00 0.00 H new ATOM 0 HG2 MET A 10 -13.315 -10.875 -3.103 1.00 0.00 H new ATOM 0 HG3 MET A 10 -11.886 -10.149 -2.394 1.00 0.00 H new ATOM 0 HE1 MET A 10 -11.872 -13.818 -0.922 1.00 0.00 H new ATOM 0 HE2 MET A 10 -12.298 -13.254 -2.556 1.00 0.00 H new ATOM 0 HE3 MET A 10 -10.885 -12.570 -1.719 1.00 0.00 H new ATOM 106 N LEU A 11 -12.431 -6.483 -4.027 1.00 0.00 N ATOM 107 CA LEU A 11 -11.183 -5.816 -4.362 1.00 0.00 C ATOM 108 C LEU A 11 -11.329 -4.298 -4.295 1.00 0.00 C ATOM 109 O LEU A 11 -12.147 -3.712 -5.005 1.00 0.00 O ATOM 110 CB LEU A 11 -10.715 -6.230 -5.759 1.00 0.00 C ATOM 111 CG LEU A 11 -10.520 -7.732 -5.972 1.00 0.00 C ATOM 112 CD1 LEU A 11 -10.166 -8.020 -7.418 1.00 0.00 C ATOM 113 CD2 LEU A 11 -9.433 -8.262 -5.053 1.00 0.00 C ATOM 0 H LEU A 11 -13.255 -6.105 -4.495 1.00 0.00 H new ATOM 0 HA LEU A 11 -10.438 -6.121 -3.628 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -11.441 -5.869 -6.488 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -9.772 -5.726 -5.971 1.00 0.00 H new ATOM 0 HG LEU A 11 -11.456 -8.237 -5.734 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -10.031 -9.093 -7.553 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -10.970 -7.672 -8.066 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -9.242 -7.503 -7.676 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -9.307 -9.332 -5.218 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -8.495 -7.749 -5.266 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -9.716 -8.085 -4.015 1.00 0.00 H new ATOM 125 N PRO A 12 -10.551 -3.648 -3.421 1.00 0.00 N ATOM 126 CA PRO A 12 -10.474 -2.200 -3.346 1.00 0.00 C ATOM 127 C PRO A 12 -9.317 -1.665 -4.190 1.00 0.00 C ATOM 128 O PRO A 12 -8.741 -2.397 -5.000 1.00 0.00 O ATOM 129 CB PRO A 12 -10.207 -1.975 -1.862 1.00 0.00 C ATOM 130 CG PRO A 12 -9.400 -3.159 -1.433 1.00 0.00 C ATOM 131 CD PRO A 12 -9.683 -4.276 -2.415 1.00 0.00 C ATOM 0 HA PRO A 12 -11.364 -1.694 -3.720 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -9.664 -1.045 -1.695 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -11.138 -1.906 -1.299 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -8.337 -2.916 -1.423 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -9.668 -3.460 -0.420 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -8.765 -4.658 -2.861 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -10.177 -5.119 -1.931 1.00 0.00 H new ATOM 139 N ARG A 13 -8.971 -0.398 -4.007 1.00 0.00 N ATOM 140 CA ARG A 13 -7.828 0.173 -4.705 1.00 0.00 C ATOM 141 C ARG A 13 -7.030 1.098 -3.793 1.00 0.00 C ATOM 142 O ARG A 13 -7.588 1.973 -3.129 1.00 0.00 O ATOM 143 CB ARG A 13 -8.249 0.919 -5.986 1.00 0.00 C ATOM 144 CG ARG A 13 -9.355 1.951 -5.807 1.00 0.00 C ATOM 145 CD ARG A 13 -10.732 1.311 -5.873 1.00 0.00 C ATOM 146 NE ARG A 13 -11.811 2.300 -5.868 1.00 0.00 N ATOM 147 CZ ARG A 13 -12.969 2.145 -6.505 1.00 0.00 C ATOM 148 NH1 ARG A 13 -13.188 1.065 -7.241 1.00 0.00 N ATOM 149 NH2 ARG A 13 -13.897 3.085 -6.421 1.00 0.00 N ATOM 0 H ARG A 13 -9.460 0.248 -3.388 1.00 0.00 H new ATOM 0 HA ARG A 13 -7.190 -0.660 -4.999 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.373 1.418 -6.400 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.576 0.185 -6.723 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -9.232 2.454 -4.848 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.270 2.714 -6.581 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -10.804 0.704 -6.776 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.857 0.637 -5.025 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.666 3.162 -5.343 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -12.467 0.348 -7.321 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -14.077 0.951 -7.727 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -13.723 3.925 -5.869 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -14.786 2.969 -6.908 1.00 0.00 H new ATOM 163 N LEU A 14 -5.725 0.878 -3.755 1.00 0.00 N ATOM 164 CA LEU A 14 -4.824 1.738 -3.011 1.00 0.00 C ATOM 165 C LEU A 14 -4.232 2.774 -3.952 1.00 0.00 C ATOM 166 O LEU A 14 -3.487 2.438 -4.874 1.00 0.00 O ATOM 167 CB LEU A 14 -3.708 0.919 -2.359 1.00 0.00 C ATOM 168 CG LEU A 14 -2.712 1.727 -1.527 1.00 0.00 C ATOM 169 CD1 LEU A 14 -3.398 2.338 -0.315 1.00 0.00 C ATOM 170 CD2 LEU A 14 -1.546 0.850 -1.103 1.00 0.00 C ATOM 0 H LEU A 14 -5.266 0.104 -4.235 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.382 2.238 -2.220 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.161 0.161 -1.720 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.161 0.392 -3.141 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.325 2.540 -2.141 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.672 2.909 0.264 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.200 2.999 -0.645 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.814 1.545 0.306 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.845 1.438 -0.511 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.916 0.017 -0.505 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.040 0.465 -1.988 1.00 0.00 H new ATOM 182 N CYS A 15 -4.563 4.028 -3.724 1.00 0.00 N ATOM 183 CA CYS A 15 -4.157 5.082 -4.627 1.00 0.00 C ATOM 184 C CYS A 15 -2.991 5.870 -4.053 1.00 0.00 C ATOM 185 O CYS A 15 -3.127 6.551 -3.038 1.00 0.00 O ATOM 186 CB CYS A 15 -5.338 6.009 -4.914 1.00 0.00 C ATOM 187 SG CYS A 15 -6.737 5.186 -5.709 1.00 0.00 S ATOM 0 H CYS A 15 -5.111 4.341 -2.923 1.00 0.00 H new ATOM 0 HA CYS A 15 -3.829 4.627 -5.562 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -5.675 6.453 -3.977 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -5.000 6.826 -5.551 1.00 0.00 H new ATOM 0 HG CYS A 15 -6.406 4.836 -6.916 1.00 0.00 H new ATOM 193 N CYS A 16 -1.837 5.750 -4.688 1.00 0.00 N ATOM 194 CA CYS A 16 -0.686 6.549 -4.317 1.00 0.00 C ATOM 195 C CYS A 16 -0.767 7.911 -4.998 1.00 0.00 C ATOM 196 O CYS A 16 -0.586 8.029 -6.210 1.00 0.00 O ATOM 197 CB CYS A 16 0.608 5.818 -4.695 1.00 0.00 C ATOM 198 SG CYS A 16 0.595 5.118 -6.361 1.00 0.00 S ATOM 0 H CYS A 16 -1.675 5.106 -5.462 1.00 0.00 H new ATOM 0 HA CYS A 16 -0.682 6.702 -3.238 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.444 6.512 -4.610 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.784 5.017 -3.977 1.00 0.00 H new ATOM 0 HG CYS A 16 0.064 5.971 -7.186 1.00 0.00 H new ATOM 204 N LEU A 17 -1.069 8.932 -4.213 1.00 0.00 N ATOM 205 CA LEU A 17 -1.232 10.278 -4.737 1.00 0.00 C ATOM 206 C LEU A 17 0.082 11.032 -4.712 1.00 0.00 C ATOM 207 O LEU A 17 0.799 11.019 -3.709 1.00 0.00 O ATOM 208 CB LEU A 17 -2.291 11.055 -3.944 1.00 0.00 C ATOM 209 CG LEU A 17 -3.746 10.813 -4.360 1.00 0.00 C ATOM 210 CD1 LEU A 17 -3.928 11.083 -5.842 1.00 0.00 C ATOM 211 CD2 LEU A 17 -4.192 9.404 -4.007 1.00 0.00 C ATOM 0 H LEU A 17 -1.207 8.853 -3.205 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.566 10.188 -5.771 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.187 10.800 -2.889 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.079 12.120 -4.037 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.376 11.508 -3.804 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -4.967 10.906 -6.119 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.666 12.119 -6.058 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.281 10.418 -6.415 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.228 9.263 -4.314 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.559 8.682 -4.523 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.109 9.255 -2.930 1.00 0.00 H new ATOM 223 N GLU A 18 0.393 11.675 -5.824 1.00 0.00 N ATOM 224 CA GLU A 18 1.581 12.502 -5.925 1.00 0.00 C ATOM 225 C GLU A 18 1.238 13.930 -5.540 1.00 0.00 C ATOM 226 O GLU A 18 0.188 14.445 -5.926 1.00 0.00 O ATOM 227 CB GLU A 18 2.129 12.495 -7.353 1.00 0.00 C ATOM 228 CG GLU A 18 2.381 11.113 -7.926 1.00 0.00 C ATOM 229 CD GLU A 18 2.887 11.182 -9.351 1.00 0.00 C ATOM 230 OE1 GLU A 18 2.154 11.696 -10.223 1.00 0.00 O ATOM 231 OE2 GLU A 18 4.033 10.751 -9.609 1.00 0.00 O ATOM 0 H GLU A 18 -0.167 11.639 -6.676 1.00 0.00 H new ATOM 0 HA GLU A 18 2.338 12.098 -5.252 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.426 13.020 -8.000 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.062 13.058 -7.373 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.109 10.589 -7.306 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.459 10.532 -7.895 1.00 0.00 H new ATOM 238 N LYS A 19 2.107 14.565 -4.775 1.00 0.00 N ATOM 239 CA LYS A 19 1.938 15.971 -4.464 1.00 0.00 C ATOM 240 C LYS A 19 2.300 16.796 -5.689 1.00 0.00 C ATOM 241 O LYS A 19 3.475 17.039 -5.970 1.00 0.00 O ATOM 242 CB LYS A 19 2.790 16.379 -3.260 1.00 0.00 C ATOM 243 CG LYS A 19 2.687 17.859 -2.909 1.00 0.00 C ATOM 244 CD LYS A 19 1.252 18.279 -2.619 1.00 0.00 C ATOM 245 CE LYS A 19 0.657 17.523 -1.442 1.00 0.00 C ATOM 246 NZ LYS A 19 1.323 17.858 -0.156 1.00 0.00 N ATOM 0 H LYS A 19 2.932 14.132 -4.360 1.00 0.00 H new ATOM 0 HA LYS A 19 0.897 16.154 -4.197 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.488 15.788 -2.395 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.832 16.135 -3.465 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.309 18.069 -2.039 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.080 18.455 -3.733 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.223 19.349 -2.413 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.640 18.109 -3.505 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.406 17.752 -1.367 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.741 16.451 -1.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.706 16.991 0.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.098 18.530 -0.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.632 18.288 0.491 1.00 0.00 H new ATOM 260 N GLY A 20 1.278 17.191 -6.424 1.00 0.00 N ATOM 261 CA GLY A 20 1.483 17.908 -7.663 1.00 0.00 C ATOM 262 C GLY A 20 1.584 19.404 -7.458 1.00 0.00 C ATOM 263 O GLY A 20 2.403 19.869 -6.665 1.00 0.00 O ATOM 0 H GLY A 20 0.300 17.027 -6.183 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.394 17.548 -8.141 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.660 17.693 -8.344 1.00 0.00 H new ATOM 267 N PRO A 21 0.745 20.183 -8.160 1.00 0.00 N ATOM 268 CA PRO A 21 0.771 21.649 -8.100 1.00 0.00 C ATOM 269 C PRO A 21 0.750 22.175 -6.671 1.00 0.00 C ATOM 270 O PRO A 21 1.657 22.890 -6.246 1.00 0.00 O ATOM 271 CB PRO A 21 -0.503 22.053 -8.842 1.00 0.00 C ATOM 272 CG PRO A 21 -0.747 20.935 -9.792 1.00 0.00 C ATOM 273 CD PRO A 21 -0.296 19.691 -9.082 1.00 0.00 C ATOM 0 HA PRO A 21 1.683 22.059 -8.534 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -1.340 22.181 -8.155 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -0.374 23.000 -9.367 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -1.802 20.872 -10.060 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -0.191 21.080 -10.718 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -1.116 19.215 -8.545 1.00 0.00 H new ATOM 0 HD3 PRO A 21 0.100 18.952 -9.778 1.00 0.00 H new ATOM 281 N ASN A 22 -0.282 21.806 -5.932 1.00 0.00 N ATOM 282 CA ASN A 22 -0.419 22.224 -4.547 1.00 0.00 C ATOM 283 C ASN A 22 -1.269 21.226 -3.778 1.00 0.00 C ATOM 284 O ASN A 22 -1.878 21.557 -2.763 1.00 0.00 O ATOM 285 CB ASN A 22 -1.034 23.626 -4.462 1.00 0.00 C ATOM 286 CG ASN A 22 -2.300 23.774 -5.292 1.00 0.00 C ATOM 287 OD1 ASN A 22 -3.054 22.818 -5.494 1.00 0.00 O ATOM 288 ND2 ASN A 22 -2.533 24.978 -5.791 1.00 0.00 N ATOM 0 H ASN A 22 -1.041 21.215 -6.270 1.00 0.00 H new ATOM 0 HA ASN A 22 0.574 22.258 -4.098 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -1.261 23.854 -3.421 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -0.300 24.359 -4.796 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -3.360 25.141 -6.365 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -1.885 25.743 -5.601 1.00 0.00 H new ATOM 295 N GLY A 23 -1.284 19.994 -4.258 1.00 0.00 N ATOM 296 CA GLY A 23 -2.138 18.988 -3.675 1.00 0.00 C ATOM 297 C GLY A 23 -2.213 17.746 -4.528 1.00 0.00 C ATOM 298 O GLY A 23 -1.217 17.340 -5.129 1.00 0.00 O ATOM 0 H GLY A 23 -0.718 19.674 -5.043 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.765 18.726 -2.685 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.140 19.396 -3.541 1.00 0.00 H new ATOM 302 N TYR A 24 -3.396 17.157 -4.601 1.00 0.00 N ATOM 303 CA TYR A 24 -3.587 15.895 -5.302 1.00 0.00 C ATOM 304 C TYR A 24 -4.669 16.031 -6.367 1.00 0.00 C ATOM 305 O TYR A 24 -4.751 15.224 -7.291 1.00 0.00 O ATOM 306 CB TYR A 24 -3.938 14.798 -4.299 1.00 0.00 C ATOM 307 CG TYR A 24 -2.981 14.767 -3.132 1.00 0.00 C ATOM 308 CD1 TYR A 24 -1.665 14.363 -3.305 1.00 0.00 C ATOM 309 CD2 TYR A 24 -3.382 15.175 -1.869 1.00 0.00 C ATOM 310 CE1 TYR A 24 -0.777 14.361 -2.251 1.00 0.00 C ATOM 311 CE2 TYR A 24 -2.499 15.183 -0.810 1.00 0.00 C ATOM 312 CZ TYR A 24 -1.199 14.773 -1.004 1.00 0.00 C ATOM 313 OH TYR A 24 -0.317 14.787 0.050 1.00 0.00 O ATOM 0 H TYR A 24 -4.245 17.535 -4.180 1.00 0.00 H new ATOM 0 HA TYR A 24 -2.660 15.622 -5.806 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -4.952 14.955 -3.931 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -3.927 13.831 -4.802 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -1.331 14.045 -4.282 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -4.403 15.492 -1.712 1.00 0.00 H new ATOM 0 HE1 TYR A 24 0.243 14.039 -2.400 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -2.825 15.509 0.166 1.00 0.00 H new ATOM 0 HH TYR A 24 -0.815 14.763 0.894 1.00 0.00 H new ATOM 323 N GLY A 25 -5.503 17.052 -6.224 1.00 0.00 N ATOM 324 CA GLY A 25 -6.413 17.418 -7.288 1.00 0.00 C ATOM 325 C GLY A 25 -7.799 16.816 -7.170 1.00 0.00 C ATOM 326 O GLY A 25 -8.453 16.571 -8.181 1.00 0.00 O ATOM 0 H GLY A 25 -5.565 17.633 -5.388 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.504 18.504 -7.312 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.979 17.113 -8.240 1.00 0.00 H new ATOM 330 N PHE A 26 -8.268 16.567 -5.961 1.00 0.00 N ATOM 331 CA PHE A 26 -9.651 16.140 -5.793 1.00 0.00 C ATOM 332 C PHE A 26 -10.295 16.831 -4.603 1.00 0.00 C ATOM 333 O PHE A 26 -9.609 17.382 -3.741 1.00 0.00 O ATOM 334 CB PHE A 26 -9.767 14.611 -5.678 1.00 0.00 C ATOM 335 CG PHE A 26 -8.960 13.990 -4.570 1.00 0.00 C ATOM 336 CD1 PHE A 26 -7.619 13.690 -4.753 1.00 0.00 C ATOM 337 CD2 PHE A 26 -9.548 13.688 -3.354 1.00 0.00 C ATOM 338 CE1 PHE A 26 -6.882 13.107 -3.744 1.00 0.00 C ATOM 339 CE2 PHE A 26 -8.816 13.102 -2.342 1.00 0.00 C ATOM 340 CZ PHE A 26 -7.481 12.812 -2.538 1.00 0.00 C ATOM 0 H PHE A 26 -7.730 16.649 -5.098 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.194 16.438 -6.690 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -10.816 14.352 -5.532 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -9.458 14.167 -6.624 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -7.146 13.916 -5.697 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -10.592 13.914 -3.195 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.837 12.882 -3.898 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -9.287 12.871 -1.398 1.00 0.00 H new ATOM 0 HZ PHE A 26 -6.906 12.354 -1.747 1.00 0.00 H new ATOM 350 N HIS A 27 -11.620 16.820 -4.578 1.00 0.00 N ATOM 351 CA HIS A 27 -12.371 17.480 -3.522 1.00 0.00 C ATOM 352 C HIS A 27 -12.887 16.457 -2.525 1.00 0.00 C ATOM 353 O HIS A 27 -13.696 15.593 -2.871 1.00 0.00 O ATOM 354 CB HIS A 27 -13.554 18.272 -4.097 1.00 0.00 C ATOM 355 CG HIS A 27 -13.164 19.444 -4.945 1.00 0.00 C ATOM 356 ND1 HIS A 27 -13.225 20.746 -4.502 1.00 0.00 N ATOM 357 CD2 HIS A 27 -12.736 19.507 -6.228 1.00 0.00 C ATOM 358 CE1 HIS A 27 -12.855 21.557 -5.476 1.00 0.00 C ATOM 359 NE2 HIS A 27 -12.552 20.832 -6.538 1.00 0.00 N ATOM 0 H HIS A 27 -12.198 16.359 -5.280 1.00 0.00 H new ATOM 0 HA HIS A 27 -11.698 18.173 -3.018 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -14.171 17.598 -4.692 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -14.173 18.626 -3.273 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -13.511 21.038 -3.568 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -12.570 18.668 -6.887 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -12.808 22.634 -5.415 1.00 0.00 H new ATOM 368 N LEU A 28 -12.412 16.561 -1.297 1.00 0.00 N ATOM 369 CA LEU A 28 -12.809 15.658 -0.233 1.00 0.00 C ATOM 370 C LEU A 28 -13.813 16.368 0.671 1.00 0.00 C ATOM 371 O LEU A 28 -13.548 17.469 1.153 1.00 0.00 O ATOM 372 CB LEU A 28 -11.555 15.220 0.556 1.00 0.00 C ATOM 373 CG LEU A 28 -11.715 14.046 1.541 1.00 0.00 C ATOM 374 CD1 LEU A 28 -12.452 14.468 2.800 1.00 0.00 C ATOM 375 CD2 LEU A 28 -12.425 12.880 0.875 1.00 0.00 C ATOM 0 H LEU A 28 -11.741 17.273 -1.010 1.00 0.00 H new ATOM 0 HA LEU A 28 -13.283 14.766 -0.643 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -10.780 14.954 -0.163 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -11.190 16.082 1.115 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.715 13.725 1.834 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -12.546 13.614 3.470 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -11.895 15.261 3.299 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -13.445 14.832 2.536 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -12.528 12.062 1.588 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -13.413 13.198 0.542 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -11.844 12.543 0.016 1.00 0.00 H new ATOM 387 N HIS A 29 -14.968 15.755 0.882 1.00 0.00 N ATOM 388 CA HIS A 29 -15.975 16.333 1.764 1.00 0.00 C ATOM 389 C HIS A 29 -16.327 15.357 2.876 1.00 0.00 C ATOM 390 O HIS A 29 -16.385 14.147 2.653 1.00 0.00 O ATOM 391 CB HIS A 29 -17.237 16.757 0.995 1.00 0.00 C ATOM 392 CG HIS A 29 -18.002 15.630 0.363 1.00 0.00 C ATOM 393 ND1 HIS A 29 -17.848 15.018 -0.833 1.00 0.00 N flip ATOM 394 CD2 HIS A 29 -19.091 15.031 0.957 1.00 0.00 C flip ATOM 395 CE1 HIS A 29 -18.833 14.066 -0.936 1.00 0.00 C flip ATOM 396 NE2 HIS A 29 -19.565 14.094 0.161 1.00 0.00 N flip ATOM 0 H HIS A 29 -15.232 14.865 0.459 1.00 0.00 H new ATOM 0 HA HIS A 29 -15.548 17.233 2.206 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -17.900 17.288 1.678 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -16.950 17.463 0.216 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -19.494 15.289 1.925 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -18.983 13.404 -1.776 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -20.364 13.492 0.360 1.00 0.00 H new ATOM 405 N GLY A 30 -16.542 15.892 4.069 1.00 0.00 N ATOM 406 CA GLY A 30 -16.864 15.059 5.210 1.00 0.00 C ATOM 407 C GLY A 30 -18.181 15.449 5.834 1.00 0.00 C ATOM 408 O GLY A 30 -18.411 16.620 6.136 1.00 0.00 O ATOM 0 H GLY A 30 -16.499 16.892 4.268 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -16.904 14.015 4.898 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -16.071 15.139 5.954 1.00 0.00 H new ATOM 412 N GLU A 31 -19.043 14.474 6.038 1.00 0.00 N ATOM 413 CA GLU A 31 -20.380 14.745 6.529 1.00 0.00 C ATOM 414 C GLU A 31 -20.499 14.466 8.020 1.00 0.00 C ATOM 415 O GLU A 31 -19.719 13.700 8.587 1.00 0.00 O ATOM 416 CB GLU A 31 -21.399 13.933 5.735 1.00 0.00 C ATOM 417 CG GLU A 31 -21.441 14.319 4.267 1.00 0.00 C ATOM 418 CD GLU A 31 -22.474 13.541 3.488 1.00 0.00 C ATOM 419 OE1 GLU A 31 -23.628 13.452 3.957 1.00 0.00 O ATOM 420 OE2 GLU A 31 -22.148 13.040 2.397 1.00 0.00 O ATOM 0 H GLU A 31 -18.843 13.488 5.872 1.00 0.00 H new ATOM 0 HA GLU A 31 -20.587 15.806 6.387 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -21.159 12.873 5.821 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -22.388 14.072 6.171 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -21.655 15.384 4.182 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -20.459 14.155 3.824 1.00 0.00 H new ATOM 427 N LYS A 32 -21.464 15.138 8.646 1.00 0.00 N ATOM 428 CA LYS A 32 -21.749 14.992 10.073 1.00 0.00 C ATOM 429 C LYS A 32 -20.516 15.292 10.924 1.00 0.00 C ATOM 430 O LYS A 32 -20.391 14.816 12.056 1.00 0.00 O ATOM 431 CB LYS A 32 -22.289 13.591 10.376 1.00 0.00 C ATOM 432 CG LYS A 32 -23.462 13.190 9.491 1.00 0.00 C ATOM 433 CD LYS A 32 -24.326 12.121 10.140 1.00 0.00 C ATOM 434 CE LYS A 32 -25.151 12.703 11.276 1.00 0.00 C ATOM 435 NZ LYS A 32 -26.084 11.708 11.865 1.00 0.00 N ATOM 0 H LYS A 32 -22.075 15.804 8.174 1.00 0.00 H new ATOM 0 HA LYS A 32 -22.515 15.722 10.334 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -21.485 12.865 10.252 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -22.600 13.547 11.420 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -24.071 14.068 9.277 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -23.087 12.822 8.536 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -24.987 11.681 9.394 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -23.694 11.318 10.519 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -24.483 13.075 12.053 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -25.720 13.557 10.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -26.624 12.152 12.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -26.740 11.371 11.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -25.542 10.904 12.241 1.00 0.00 H new ATOM 449 N GLY A 33 -19.601 16.075 10.364 1.00 0.00 N ATOM 450 CA GLY A 33 -18.421 16.487 11.094 1.00 0.00 C ATOM 451 C GLY A 33 -17.298 15.469 11.037 1.00 0.00 C ATOM 452 O GLY A 33 -16.143 15.829 10.811 1.00 0.00 O ATOM 0 H GLY A 33 -19.658 16.433 9.411 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -18.064 17.435 10.691 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -18.689 16.665 12.135 1.00 0.00 H new ATOM 456 N LYS A 34 -17.633 14.198 11.229 1.00 0.00 N ATOM 457 CA LYS A 34 -16.623 13.150 11.311 1.00 0.00 C ATOM 458 C LYS A 34 -16.887 12.038 10.307 1.00 0.00 C ATOM 459 O LYS A 34 -16.069 11.763 9.434 1.00 0.00 O ATOM 460 CB LYS A 34 -16.590 12.531 12.708 1.00 0.00 C ATOM 461 CG LYS A 34 -16.352 13.525 13.824 1.00 0.00 C ATOM 462 CD LYS A 34 -16.238 12.816 15.160 1.00 0.00 C ATOM 463 CE LYS A 34 -17.480 11.990 15.452 1.00 0.00 C ATOM 464 NZ LYS A 34 -17.295 11.114 16.634 1.00 0.00 N ATOM 0 H LYS A 34 -18.593 13.869 11.330 1.00 0.00 H new ATOM 0 HA LYS A 34 -15.666 13.622 11.087 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -17.535 12.019 12.888 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -15.807 11.774 12.739 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -15.440 14.089 13.627 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -17.170 14.244 13.857 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -15.360 12.170 15.158 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -16.091 13.550 15.953 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -18.327 12.655 15.622 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -17.723 11.380 14.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -18.164 10.567 16.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -16.503 10.462 16.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -17.088 11.698 17.470 1.00 0.00 H new ATOM 478 N LEU A 35 -18.039 11.401 10.436 1.00 0.00 N ATOM 479 CA LEU A 35 -18.295 10.172 9.710 1.00 0.00 C ATOM 480 C LEU A 35 -18.759 10.429 8.286 1.00 0.00 C ATOM 481 O LEU A 35 -19.844 10.959 8.052 1.00 0.00 O ATOM 482 CB LEU A 35 -19.341 9.329 10.436 1.00 0.00 C ATOM 483 CG LEU A 35 -19.052 9.042 11.911 1.00 0.00 C ATOM 484 CD1 LEU A 35 -20.127 8.139 12.496 1.00 0.00 C ATOM 485 CD2 LEU A 35 -17.679 8.413 12.082 1.00 0.00 C ATOM 0 H LEU A 35 -18.805 11.713 11.032 1.00 0.00 H new ATOM 0 HA LEU A 35 -17.349 9.632 9.665 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -20.303 9.836 10.365 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -19.442 8.378 9.913 1.00 0.00 H new ATOM 0 HG LEU A 35 -19.061 9.989 12.450 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -19.907 7.944 13.546 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -21.098 8.628 12.413 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -20.148 7.197 11.949 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -17.497 8.219 13.139 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -17.637 7.475 11.528 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -16.917 9.094 11.702 1.00 0.00 H new ATOM 497 N GLY A 36 -17.941 10.011 7.342 1.00 0.00 N ATOM 498 CA GLY A 36 -18.321 10.071 5.949 1.00 0.00 C ATOM 499 C GLY A 36 -17.432 10.983 5.134 1.00 0.00 C ATOM 500 O GLY A 36 -17.814 12.108 4.813 1.00 0.00 O ATOM 0 H GLY A 36 -17.012 9.627 7.515 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -18.288 9.067 5.525 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -19.352 10.415 5.874 1.00 0.00 H new ATOM 504 N GLN A 37 -16.240 10.502 4.804 1.00 0.00 N ATOM 505 CA GLN A 37 -15.346 11.237 3.920 1.00 0.00 C ATOM 506 C GLN A 37 -15.468 10.666 2.512 1.00 0.00 C ATOM 507 O GLN A 37 -15.138 9.502 2.276 1.00 0.00 O ATOM 508 CB GLN A 37 -13.893 11.132 4.402 1.00 0.00 C ATOM 509 CG GLN A 37 -13.714 11.420 5.883 1.00 0.00 C ATOM 510 CD GLN A 37 -14.136 12.821 6.285 1.00 0.00 C ATOM 511 OE1 GLN A 37 -14.022 13.780 5.514 1.00 0.00 O ATOM 512 NE2 GLN A 37 -14.639 12.947 7.500 1.00 0.00 N ATOM 0 H GLN A 37 -15.872 9.610 5.134 1.00 0.00 H new ATOM 0 HA GLN A 37 -15.627 12.290 3.923 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -13.521 10.130 4.189 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.279 11.828 3.830 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -14.292 10.696 6.458 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -12.667 11.275 6.149 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -14.717 12.131 8.107 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -14.950 13.860 7.831 1.00 0.00 H new ATOM 521 N TYR A 38 -15.940 11.478 1.582 1.00 0.00 N ATOM 522 CA TYR A 38 -16.180 11.007 0.224 1.00 0.00 C ATOM 523 C TYR A 38 -15.595 11.973 -0.794 1.00 0.00 C ATOM 524 O TYR A 38 -15.463 13.171 -0.525 1.00 0.00 O ATOM 525 CB TYR A 38 -17.682 10.837 -0.030 1.00 0.00 C ATOM 526 CG TYR A 38 -18.362 9.893 0.933 1.00 0.00 C ATOM 527 CD1 TYR A 38 -18.068 8.536 0.928 1.00 0.00 C ATOM 528 CD2 TYR A 38 -19.299 10.358 1.847 1.00 0.00 C ATOM 529 CE1 TYR A 38 -18.684 7.669 1.810 1.00 0.00 C ATOM 530 CE2 TYR A 38 -19.921 9.496 2.731 1.00 0.00 C ATOM 531 CZ TYR A 38 -19.610 8.154 2.707 1.00 0.00 C ATOM 532 OH TYR A 38 -20.227 7.295 3.589 1.00 0.00 O ATOM 0 H TYR A 38 -16.164 12.461 1.738 1.00 0.00 H new ATOM 0 HA TYR A 38 -15.689 10.040 0.114 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -18.164 11.813 0.032 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -17.830 10.472 -1.046 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -17.346 8.152 0.223 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -19.545 11.409 1.867 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -18.441 6.617 1.796 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -20.647 9.873 3.437 1.00 0.00 H new ATOM 0 HH TYR A 38 -20.851 7.798 4.153 1.00 0.00 H new ATOM 542 N ILE A 39 -15.233 11.440 -1.950 1.00 0.00 N ATOM 543 CA ILE A 39 -14.704 12.250 -3.034 1.00 0.00 C ATOM 544 C ILE A 39 -15.853 12.863 -3.826 1.00 0.00 C ATOM 545 O ILE A 39 -16.730 12.152 -4.311 1.00 0.00 O ATOM 546 CB ILE A 39 -13.825 11.416 -3.990 1.00 0.00 C ATOM 547 CG1 ILE A 39 -12.812 10.570 -3.207 1.00 0.00 C ATOM 548 CG2 ILE A 39 -13.112 12.330 -4.978 1.00 0.00 C ATOM 549 CD1 ILE A 39 -11.901 11.372 -2.310 1.00 0.00 C ATOM 0 H ILE A 39 -15.297 10.444 -2.162 1.00 0.00 H new ATOM 0 HA ILE A 39 -14.087 13.032 -2.592 1.00 0.00 H new ATOM 0 HB ILE A 39 -14.470 10.736 -4.546 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -13.353 9.844 -2.601 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -12.203 10.005 -3.913 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.495 11.731 -5.648 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -13.850 12.882 -5.561 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -12.481 13.032 -4.434 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -11.216 10.700 -1.793 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.330 12.080 -2.911 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -12.498 11.916 -1.578 1.00 0.00 H new ATOM 561 N ARG A 40 -15.850 14.181 -3.942 1.00 0.00 N ATOM 562 CA ARG A 40 -16.925 14.886 -4.627 1.00 0.00 C ATOM 563 C ARG A 40 -16.629 14.975 -6.117 1.00 0.00 C ATOM 564 O ARG A 40 -17.426 14.542 -6.944 1.00 0.00 O ATOM 565 CB ARG A 40 -17.093 16.287 -4.023 1.00 0.00 C ATOM 566 CG ARG A 40 -18.365 17.026 -4.431 1.00 0.00 C ATOM 567 CD ARG A 40 -18.248 17.695 -5.794 1.00 0.00 C ATOM 568 NE ARG A 40 -19.118 18.866 -5.898 1.00 0.00 N ATOM 569 CZ ARG A 40 -19.528 19.397 -7.050 1.00 0.00 C ATOM 570 NH1 ARG A 40 -19.248 18.809 -8.204 1.00 0.00 N ATOM 571 NH2 ARG A 40 -20.240 20.517 -7.042 1.00 0.00 N ATOM 0 H ARG A 40 -15.116 14.785 -3.572 1.00 0.00 H new ATOM 0 HA ARG A 40 -17.856 14.335 -4.496 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -17.076 16.201 -2.937 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -16.233 16.893 -4.308 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -19.198 16.324 -4.447 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -18.598 17.781 -3.680 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -17.214 17.994 -5.965 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -18.506 16.979 -6.574 1.00 0.00 H new ATOM 0 HE ARG A 40 -19.432 19.305 -5.032 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -18.713 17.940 -8.217 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -19.567 19.225 -9.079 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -20.471 20.968 -6.157 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -20.556 20.927 -7.921 1.00 0.00 H new ATOM 585 N LEU A 41 -15.459 15.509 -6.449 1.00 0.00 N ATOM 586 CA LEU A 41 -15.071 15.703 -7.836 1.00 0.00 C ATOM 587 C LEU A 41 -13.555 15.645 -7.971 1.00 0.00 C ATOM 588 O LEU A 41 -12.828 16.012 -7.042 1.00 0.00 O ATOM 589 CB LEU A 41 -15.596 17.048 -8.350 1.00 0.00 C ATOM 590 CG LEU A 41 -15.307 17.349 -9.823 1.00 0.00 C ATOM 591 CD1 LEU A 41 -15.949 16.307 -10.726 1.00 0.00 C ATOM 592 CD2 LEU A 41 -15.797 18.743 -10.184 1.00 0.00 C ATOM 0 H LEU A 41 -14.762 15.816 -5.771 1.00 0.00 H new ATOM 0 HA LEU A 41 -15.507 14.904 -8.436 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -16.675 17.080 -8.195 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -15.163 17.843 -7.743 1.00 0.00 H new ATOM 0 HG LEU A 41 -14.228 17.309 -9.975 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -15.729 16.543 -11.767 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -15.550 15.322 -10.485 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -17.028 16.309 -10.574 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -15.585 18.943 -11.234 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -16.872 18.807 -10.013 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -15.286 19.480 -9.564 1.00 0.00 H new ATOM 604 N VAL A 42 -13.093 15.182 -9.123 1.00 0.00 N ATOM 605 CA VAL A 42 -11.671 15.044 -9.392 1.00 0.00 C ATOM 606 C VAL A 42 -11.251 15.996 -10.509 1.00 0.00 C ATOM 607 O VAL A 42 -11.985 16.185 -11.480 1.00 0.00 O ATOM 608 CB VAL A 42 -11.318 13.593 -9.794 1.00 0.00 C ATOM 609 CG1 VAL A 42 -9.828 13.441 -10.054 1.00 0.00 C ATOM 610 CG2 VAL A 42 -11.770 12.617 -8.722 1.00 0.00 C ATOM 0 H VAL A 42 -13.693 14.892 -9.896 1.00 0.00 H new ATOM 0 HA VAL A 42 -11.133 15.293 -8.477 1.00 0.00 H new ATOM 0 HB VAL A 42 -11.847 13.365 -10.719 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -9.611 12.410 -10.334 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -9.530 14.108 -10.863 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -9.273 13.696 -9.151 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -11.513 11.601 -9.023 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -11.273 12.854 -7.781 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -12.849 12.694 -8.591 1.00 0.00 H new ATOM 620 N GLU A 43 -10.088 16.607 -10.350 1.00 0.00 N ATOM 621 CA GLU A 43 -9.551 17.536 -11.325 1.00 0.00 C ATOM 622 C GLU A 43 -9.027 16.764 -12.536 1.00 0.00 C ATOM 623 O GLU A 43 -8.310 15.774 -12.383 1.00 0.00 O ATOM 624 CB GLU A 43 -8.434 18.338 -10.657 1.00 0.00 C ATOM 625 CG GLU A 43 -7.889 19.478 -11.486 1.00 0.00 C ATOM 626 CD GLU A 43 -6.872 20.301 -10.719 1.00 0.00 C ATOM 627 OE1 GLU A 43 -5.678 19.945 -10.730 1.00 0.00 O ATOM 628 OE2 GLU A 43 -7.270 21.304 -10.085 1.00 0.00 O ATOM 0 H GLU A 43 -9.489 16.470 -9.536 1.00 0.00 H new ATOM 0 HA GLU A 43 -10.325 18.220 -11.674 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.807 18.739 -9.715 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.615 17.661 -10.413 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.427 19.081 -12.390 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.710 20.120 -11.804 1.00 0.00 H new ATOM 635 N PRO A 44 -9.383 17.212 -13.755 1.00 0.00 N ATOM 636 CA PRO A 44 -9.078 16.491 -15.001 1.00 0.00 C ATOM 637 C PRO A 44 -7.586 16.269 -15.222 1.00 0.00 C ATOM 638 O PRO A 44 -7.187 15.345 -15.929 1.00 0.00 O ATOM 639 CB PRO A 44 -9.647 17.399 -16.098 1.00 0.00 C ATOM 640 CG PRO A 44 -9.784 18.734 -15.456 1.00 0.00 C ATOM 641 CD PRO A 44 -10.116 18.458 -14.020 1.00 0.00 C ATOM 0 HA PRO A 44 -9.506 15.489 -14.986 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -8.982 17.442 -16.960 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -10.609 17.032 -16.455 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -8.861 19.307 -15.542 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -10.569 19.320 -15.934 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.790 19.267 -13.366 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.189 18.337 -13.868 1.00 0.00 H new ATOM 649 N GLY A 45 -6.769 17.119 -14.622 1.00 0.00 N ATOM 650 CA GLY A 45 -5.334 16.979 -14.746 1.00 0.00 C ATOM 651 C GLY A 45 -4.663 16.828 -13.401 1.00 0.00 C ATOM 652 O GLY A 45 -3.748 17.581 -13.067 1.00 0.00 O ATOM 0 H GLY A 45 -7.075 17.906 -14.050 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.106 16.111 -15.364 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.927 17.851 -15.258 1.00 0.00 H new ATOM 656 N SER A 46 -5.118 15.857 -12.627 1.00 0.00 N ATOM 657 CA SER A 46 -4.575 15.624 -11.302 1.00 0.00 C ATOM 658 C SER A 46 -4.020 14.207 -11.183 1.00 0.00 C ATOM 659 O SER A 46 -4.418 13.308 -11.930 1.00 0.00 O ATOM 660 CB SER A 46 -5.667 15.842 -10.257 1.00 0.00 C ATOM 661 OG SER A 46 -6.734 14.925 -10.436 1.00 0.00 O ATOM 0 H SER A 46 -5.865 15.216 -12.896 1.00 0.00 H new ATOM 0 HA SER A 46 -3.759 16.327 -11.132 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.247 15.726 -9.258 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.044 16.862 -10.328 1.00 0.00 H new ATOM 0 HG SER A 46 -7.136 15.059 -11.320 1.00 0.00 H new ATOM 667 N PRO A 47 -3.088 13.991 -10.238 1.00 0.00 N ATOM 668 CA PRO A 47 -2.552 12.658 -9.941 1.00 0.00 C ATOM 669 C PRO A 47 -3.635 11.699 -9.444 1.00 0.00 C ATOM 670 O PRO A 47 -3.429 10.489 -9.410 1.00 0.00 O ATOM 671 CB PRO A 47 -1.518 12.913 -8.838 1.00 0.00 C ATOM 672 CG PRO A 47 -1.207 14.368 -8.922 1.00 0.00 C ATOM 673 CD PRO A 47 -2.463 15.030 -9.403 1.00 0.00 C ATOM 0 HA PRO A 47 -2.131 12.186 -10.829 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -1.916 12.651 -7.857 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -0.623 12.310 -8.990 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -0.907 14.760 -7.950 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.381 14.552 -9.609 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.107 15.323 -8.574 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.249 15.933 -9.975 1.00 0.00 H new ATOM 681 N ALA A 48 -4.785 12.248 -9.053 1.00 0.00 N ATOM 682 CA ALA A 48 -5.925 11.437 -8.639 1.00 0.00 C ATOM 683 C ALA A 48 -6.405 10.559 -9.790 1.00 0.00 C ATOM 684 O ALA A 48 -6.652 9.364 -9.612 1.00 0.00 O ATOM 685 CB ALA A 48 -7.050 12.327 -8.134 1.00 0.00 C ATOM 0 H ALA A 48 -4.950 13.254 -9.015 1.00 0.00 H new ATOM 0 HA ALA A 48 -5.610 10.785 -7.824 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.894 11.709 -7.829 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.699 12.909 -7.282 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.364 13.003 -8.929 1.00 0.00 H new ATOM 691 N GLU A 49 -6.510 11.161 -10.973 1.00 0.00 N ATOM 692 CA GLU A 49 -6.857 10.429 -12.189 1.00 0.00 C ATOM 693 C GLU A 49 -5.864 9.303 -12.431 1.00 0.00 C ATOM 694 O GLU A 49 -6.239 8.178 -12.766 1.00 0.00 O ATOM 695 CB GLU A 49 -6.837 11.374 -13.389 1.00 0.00 C ATOM 696 CG GLU A 49 -7.836 12.505 -13.287 1.00 0.00 C ATOM 697 CD GLU A 49 -9.256 12.045 -13.536 1.00 0.00 C ATOM 698 OE1 GLU A 49 -9.782 11.254 -12.729 1.00 0.00 O ATOM 699 OE2 GLU A 49 -9.846 12.449 -14.560 1.00 0.00 O ATOM 0 H GLU A 49 -6.359 12.160 -11.115 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.856 10.010 -12.065 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -5.836 11.793 -13.494 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -7.040 10.802 -14.294 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.771 12.955 -12.296 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.577 13.281 -14.007 1.00 0.00 H new ATOM 706 N LYS A 50 -4.593 9.634 -12.251 1.00 0.00 N ATOM 707 CA LYS A 50 -3.500 8.688 -12.443 1.00 0.00 C ATOM 708 C LYS A 50 -3.584 7.539 -11.443 1.00 0.00 C ATOM 709 O LYS A 50 -3.416 6.374 -11.806 1.00 0.00 O ATOM 710 CB LYS A 50 -2.156 9.399 -12.285 1.00 0.00 C ATOM 711 CG LYS A 50 -1.923 10.525 -13.282 1.00 0.00 C ATOM 712 CD LYS A 50 -0.599 11.224 -13.024 1.00 0.00 C ATOM 713 CE LYS A 50 0.563 10.252 -13.103 1.00 0.00 C ATOM 714 NZ LYS A 50 1.846 10.895 -12.727 1.00 0.00 N ATOM 0 H LYS A 50 -4.289 10.566 -11.968 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.584 8.280 -13.450 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -2.089 9.804 -11.275 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.356 8.666 -12.389 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.934 10.124 -14.296 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.737 11.247 -13.216 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.459 12.022 -13.753 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.618 11.692 -12.040 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.374 9.405 -12.443 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.638 9.857 -14.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.598 10.177 -12.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.090 11.621 -13.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 1.751 11.339 -11.791 1.00 0.00 H new ATOM 728 N ALA A 51 -3.852 7.875 -10.186 1.00 0.00 N ATOM 729 CA ALA A 51 -3.896 6.886 -9.114 1.00 0.00 C ATOM 730 C ALA A 51 -5.090 5.948 -9.266 1.00 0.00 C ATOM 731 O ALA A 51 -5.038 4.786 -8.861 1.00 0.00 O ATOM 732 CB ALA A 51 -3.932 7.578 -7.758 1.00 0.00 C ATOM 0 H ALA A 51 -4.043 8.830 -9.883 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.991 6.282 -9.180 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.965 6.828 -6.968 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.039 8.192 -7.639 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -4.818 8.210 -7.695 1.00 0.00 H new ATOM 738 N GLY A 52 -6.162 6.459 -9.852 1.00 0.00 N ATOM 739 CA GLY A 52 -7.345 5.649 -10.065 1.00 0.00 C ATOM 740 C GLY A 52 -8.464 6.005 -9.111 1.00 0.00 C ATOM 741 O GLY A 52 -9.438 5.265 -8.980 1.00 0.00 O ATOM 0 H GLY A 52 -6.235 7.421 -10.184 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.691 5.777 -11.091 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.089 4.597 -9.944 1.00 0.00 H new ATOM 745 N LEU A 53 -8.305 7.130 -8.434 1.00 0.00 N ATOM 746 CA LEU A 53 -9.316 7.635 -7.523 1.00 0.00 C ATOM 747 C LEU A 53 -10.448 8.281 -8.316 1.00 0.00 C ATOM 748 O LEU A 53 -10.209 9.149 -9.160 1.00 0.00 O ATOM 749 CB LEU A 53 -8.661 8.633 -6.557 1.00 0.00 C ATOM 750 CG LEU A 53 -9.566 9.216 -5.470 1.00 0.00 C ATOM 751 CD1 LEU A 53 -8.760 9.488 -4.211 1.00 0.00 C ATOM 752 CD2 LEU A 53 -10.221 10.502 -5.954 1.00 0.00 C ATOM 0 H LEU A 53 -7.473 7.717 -8.501 1.00 0.00 H new ATOM 0 HA LEU A 53 -9.744 6.819 -6.940 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.819 8.138 -6.073 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -8.253 9.458 -7.141 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.347 8.490 -5.244 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -9.413 9.903 -3.443 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.322 8.557 -3.851 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.965 10.200 -4.434 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -10.861 10.903 -5.168 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -9.450 11.232 -6.202 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.821 10.294 -6.840 1.00 0.00 H new ATOM 764 N LEU A 54 -11.674 7.854 -8.053 1.00 0.00 N ATOM 765 CA LEU A 54 -12.822 8.323 -8.810 1.00 0.00 C ATOM 766 C LEU A 54 -13.673 9.283 -7.990 1.00 0.00 C ATOM 767 O LEU A 54 -13.629 9.287 -6.758 1.00 0.00 O ATOM 768 CB LEU A 54 -13.679 7.141 -9.265 1.00 0.00 C ATOM 769 CG LEU A 54 -12.984 6.154 -10.202 1.00 0.00 C ATOM 770 CD1 LEU A 54 -13.934 5.032 -10.583 1.00 0.00 C ATOM 771 CD2 LEU A 54 -12.480 6.869 -11.445 1.00 0.00 C ATOM 0 H LEU A 54 -11.898 7.182 -7.319 1.00 0.00 H new ATOM 0 HA LEU A 54 -12.445 8.856 -9.683 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -14.021 6.600 -8.383 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -14.567 7.528 -9.765 1.00 0.00 H new ATOM 0 HG LEU A 54 -12.129 5.723 -9.682 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -13.426 4.336 -11.251 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -14.253 4.505 -9.684 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -14.805 5.449 -11.088 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -11.987 6.152 -12.102 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -13.321 7.324 -11.969 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -11.770 7.644 -11.156 1.00 0.00 H new ATOM 783 N ALA A 55 -14.442 10.108 -8.690 1.00 0.00 N ATOM 784 CA ALA A 55 -15.354 11.038 -8.045 1.00 0.00 C ATOM 785 C ALA A 55 -16.551 10.289 -7.476 1.00 0.00 C ATOM 786 O ALA A 55 -17.539 10.047 -8.172 1.00 0.00 O ATOM 787 CB ALA A 55 -15.801 12.110 -9.026 1.00 0.00 C ATOM 0 H ALA A 55 -14.450 10.150 -9.709 1.00 0.00 H new ATOM 0 HA ALA A 55 -14.833 11.529 -7.223 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -16.483 12.798 -8.527 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -14.931 12.659 -9.386 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -16.309 11.642 -9.869 1.00 0.00 H new ATOM 793 N GLY A 56 -16.439 9.914 -6.215 1.00 0.00 N ATOM 794 CA GLY A 56 -17.473 9.147 -5.558 1.00 0.00 C ATOM 795 C GLY A 56 -16.888 8.092 -4.645 1.00 0.00 C ATOM 796 O GLY A 56 -17.617 7.399 -3.934 1.00 0.00 O ATOM 0 H GLY A 56 -15.636 10.131 -5.625 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -18.111 9.816 -4.980 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -18.105 8.671 -6.307 1.00 0.00 H new ATOM 800 N ASP A 57 -15.563 7.969 -4.675 1.00 0.00 N ATOM 801 CA ASP A 57 -14.854 7.003 -3.844 1.00 0.00 C ATOM 802 C ASP A 57 -15.010 7.312 -2.363 1.00 0.00 C ATOM 803 O ASP A 57 -15.133 8.474 -1.959 1.00 0.00 O ATOM 804 CB ASP A 57 -13.366 6.981 -4.192 1.00 0.00 C ATOM 805 CG ASP A 57 -12.999 5.853 -5.129 1.00 0.00 C ATOM 806 OD1 ASP A 57 -12.842 4.711 -4.651 1.00 0.00 O ATOM 807 OD2 ASP A 57 -12.868 6.097 -6.341 1.00 0.00 O ATOM 0 H ASP A 57 -14.956 8.532 -5.271 1.00 0.00 H new ATOM 0 HA ASP A 57 -15.295 6.027 -4.046 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -13.091 7.931 -4.650 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -12.785 6.889 -3.275 1.00 0.00 H new ATOM 812 N ARG A 58 -15.001 6.257 -1.564 1.00 0.00 N ATOM 813 CA ARG A 58 -15.024 6.378 -0.117 1.00 0.00 C ATOM 814 C ARG A 58 -13.612 6.244 0.432 1.00 0.00 C ATOM 815 O ARG A 58 -12.957 5.222 0.224 1.00 0.00 O ATOM 816 CB ARG A 58 -15.928 5.301 0.496 1.00 0.00 C ATOM 817 CG ARG A 58 -15.813 5.187 2.013 1.00 0.00 C ATOM 818 CD ARG A 58 -16.702 4.081 2.559 1.00 0.00 C ATOM 819 NE ARG A 58 -16.458 3.833 3.983 1.00 0.00 N ATOM 820 CZ ARG A 58 -17.359 3.316 4.819 1.00 0.00 C ATOM 821 NH1 ARG A 58 -18.565 2.983 4.385 1.00 0.00 N ATOM 822 NH2 ARG A 58 -17.041 3.111 6.088 1.00 0.00 N ATOM 0 H ARG A 58 -14.978 5.294 -1.901 1.00 0.00 H new ATOM 0 HA ARG A 58 -15.422 7.358 0.147 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -16.964 5.519 0.235 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.683 4.337 0.049 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -14.776 4.990 2.286 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -16.089 6.136 2.472 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -17.748 4.351 2.412 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -16.527 3.164 1.996 1.00 0.00 H new ATOM 0 HE ARG A 58 -15.540 4.071 4.358 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -18.810 3.121 3.405 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -19.248 2.588 5.031 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -16.108 3.349 6.425 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -17.729 2.716 6.729 1.00 0.00 H new ATOM 836 N LEU A 59 -13.144 7.277 1.115 1.00 0.00 N ATOM 837 CA LEU A 59 -11.830 7.245 1.736 1.00 0.00 C ATOM 838 C LEU A 59 -11.909 6.493 3.055 1.00 0.00 C ATOM 839 O LEU A 59 -12.624 6.902 3.970 1.00 0.00 O ATOM 840 CB LEU A 59 -11.309 8.664 1.970 1.00 0.00 C ATOM 841 CG LEU A 59 -9.926 8.750 2.615 1.00 0.00 C ATOM 842 CD1 LEU A 59 -8.871 8.103 1.729 1.00 0.00 C ATOM 843 CD2 LEU A 59 -9.566 10.197 2.896 1.00 0.00 C ATOM 0 H LEU A 59 -13.655 8.149 1.253 1.00 0.00 H new ATOM 0 HA LEU A 59 -11.137 6.733 1.068 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -11.279 9.186 1.013 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -12.021 9.196 2.601 1.00 0.00 H new ATOM 0 HG LEU A 59 -9.955 8.206 3.559 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.896 8.178 2.211 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -9.120 7.053 1.574 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -8.840 8.614 0.767 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.579 10.244 3.355 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -9.558 10.758 1.962 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -10.302 10.630 3.573 1.00 0.00 H new ATOM 855 N VAL A 60 -11.195 5.386 3.146 1.00 0.00 N ATOM 856 CA VAL A 60 -11.264 4.549 4.332 1.00 0.00 C ATOM 857 C VAL A 60 -10.063 4.785 5.241 1.00 0.00 C ATOM 858 O VAL A 60 -10.213 5.119 6.420 1.00 0.00 O ATOM 859 CB VAL A 60 -11.319 3.056 3.956 1.00 0.00 C ATOM 860 CG1 VAL A 60 -11.526 2.197 5.191 1.00 0.00 C ATOM 861 CG2 VAL A 60 -12.412 2.798 2.933 1.00 0.00 C ATOM 0 H VAL A 60 -10.565 5.046 2.419 1.00 0.00 H new ATOM 0 HA VAL A 60 -12.177 4.821 4.862 1.00 0.00 H new ATOM 0 HB VAL A 60 -10.363 2.784 3.509 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -11.562 1.147 4.902 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -10.701 2.354 5.886 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -12.464 2.473 5.673 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -12.433 1.737 2.682 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -13.376 3.091 3.349 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -12.213 3.380 2.033 1.00 0.00 H new ATOM 871 N GLU A 61 -8.868 4.622 4.687 1.00 0.00 N ATOM 872 CA GLU A 61 -7.649 4.727 5.477 1.00 0.00 C ATOM 873 C GLU A 61 -6.586 5.540 4.745 1.00 0.00 C ATOM 874 O GLU A 61 -6.556 5.585 3.512 1.00 0.00 O ATOM 875 CB GLU A 61 -7.111 3.326 5.805 1.00 0.00 C ATOM 876 CG GLU A 61 -8.148 2.427 6.465 1.00 0.00 C ATOM 877 CD GLU A 61 -7.590 1.117 6.979 1.00 0.00 C ATOM 878 OE1 GLU A 61 -6.845 1.134 7.981 1.00 0.00 O ATOM 879 OE2 GLU A 61 -7.938 0.059 6.415 1.00 0.00 O ATOM 0 H GLU A 61 -8.718 4.418 3.699 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.890 5.245 6.405 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -6.761 2.854 4.887 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.248 3.420 6.464 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -8.605 2.966 7.295 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -8.940 2.216 5.747 1.00 0.00 H new ATOM 886 N VAL A 62 -5.717 6.178 5.520 1.00 0.00 N ATOM 887 CA VAL A 62 -4.615 6.960 4.974 1.00 0.00 C ATOM 888 C VAL A 62 -3.287 6.318 5.351 1.00 0.00 C ATOM 889 O VAL A 62 -2.924 6.270 6.528 1.00 0.00 O ATOM 890 CB VAL A 62 -4.648 8.429 5.469 1.00 0.00 C ATOM 891 CG1 VAL A 62 -3.403 9.192 5.032 1.00 0.00 C ATOM 892 CG2 VAL A 62 -5.900 9.132 4.967 1.00 0.00 C ATOM 0 H VAL A 62 -5.756 6.168 6.539 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.724 6.972 3.890 1.00 0.00 H new ATOM 0 HB VAL A 62 -4.665 8.411 6.559 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.459 10.218 5.396 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.517 8.709 5.444 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.342 9.196 3.944 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.907 10.162 5.324 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -5.909 9.126 3.877 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -6.783 8.613 5.340 1.00 0.00 H new ATOM 902 N ASN A 63 -2.591 5.815 4.336 1.00 0.00 N ATOM 903 CA ASN A 63 -1.291 5.156 4.484 1.00 0.00 C ATOM 904 C ASN A 63 -1.391 3.843 5.257 1.00 0.00 C ATOM 905 O ASN A 63 -1.221 2.771 4.674 1.00 0.00 O ATOM 906 CB ASN A 63 -0.248 6.085 5.122 1.00 0.00 C ATOM 907 CG ASN A 63 0.306 7.104 4.137 1.00 0.00 C ATOM 908 OD1 ASN A 63 -0.383 7.530 3.214 1.00 0.00 O ATOM 909 ND2 ASN A 63 1.561 7.485 4.309 1.00 0.00 N ATOM 0 H ASN A 63 -2.917 5.853 3.370 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.955 4.916 3.475 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -0.700 6.608 5.965 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.572 5.487 5.520 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.984 8.152 3.664 1.00 0.00 H new ATOM 0 HD22 ASN A 63 2.105 7.111 5.087 1.00 0.00 H new ATOM 916 N GLY A 64 -1.668 3.913 6.550 1.00 0.00 N ATOM 917 CA GLY A 64 -1.706 2.703 7.342 1.00 0.00 C ATOM 918 C GLY A 64 -2.785 2.693 8.411 1.00 0.00 C ATOM 919 O GLY A 64 -3.012 1.662 9.037 1.00 0.00 O ATOM 0 H GLY A 64 -1.865 4.774 7.060 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -1.860 1.852 6.678 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -0.736 2.564 7.819 1.00 0.00 H new ATOM 923 N GLU A 65 -3.432 3.826 8.651 1.00 0.00 N ATOM 924 CA GLU A 65 -4.462 3.902 9.684 1.00 0.00 C ATOM 925 C GLU A 65 -5.773 4.445 9.118 1.00 0.00 C ATOM 926 O GLU A 65 -5.772 5.245 8.179 1.00 0.00 O ATOM 927 CB GLU A 65 -3.969 4.764 10.844 1.00 0.00 C ATOM 928 CG GLU A 65 -3.685 6.204 10.464 1.00 0.00 C ATOM 929 CD GLU A 65 -2.772 6.889 11.460 1.00 0.00 C ATOM 930 OE1 GLU A 65 -3.242 7.246 12.562 1.00 0.00 O ATOM 931 OE2 GLU A 65 -1.577 7.084 11.140 1.00 0.00 O ATOM 0 H GLU A 65 -3.266 4.699 8.151 1.00 0.00 H new ATOM 0 HA GLU A 65 -4.659 2.895 10.053 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.716 4.749 11.638 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.061 4.321 11.252 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -3.228 6.234 9.475 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.625 6.753 10.398 1.00 0.00 H new ATOM 938 N ASN A 66 -6.887 4.004 9.695 1.00 0.00 N ATOM 939 CA ASN A 66 -8.211 4.382 9.208 1.00 0.00 C ATOM 940 C ASN A 66 -8.562 5.798 9.653 1.00 0.00 C ATOM 941 O ASN A 66 -8.256 6.207 10.775 1.00 0.00 O ATOM 942 CB ASN A 66 -9.269 3.371 9.685 1.00 0.00 C ATOM 943 CG ASN A 66 -9.914 3.740 11.011 1.00 0.00 C ATOM 944 OD1 ASN A 66 -9.338 3.526 12.078 1.00 0.00 O ATOM 945 ND2 ASN A 66 -11.141 4.240 10.957 1.00 0.00 N ATOM 0 H ASN A 66 -6.899 3.382 10.503 1.00 0.00 H new ATOM 0 HA ASN A 66 -8.198 4.367 8.118 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -10.046 3.286 8.925 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -8.805 2.389 9.778 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -11.640 4.461 11.819 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -11.586 4.404 10.054 1.00 0.00 H new ATOM 952 N VAL A 67 -9.197 6.545 8.763 1.00 0.00 N ATOM 953 CA VAL A 67 -9.513 7.943 9.021 1.00 0.00 C ATOM 954 C VAL A 67 -11.016 8.195 8.935 1.00 0.00 C ATOM 955 O VAL A 67 -11.460 9.310 8.670 1.00 0.00 O ATOM 956 CB VAL A 67 -8.772 8.865 8.027 1.00 0.00 C ATOM 957 CG1 VAL A 67 -7.265 8.744 8.219 1.00 0.00 C ATOM 958 CG2 VAL A 67 -9.155 8.532 6.587 1.00 0.00 C ATOM 0 H VAL A 67 -9.505 6.205 7.852 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.180 8.172 10.033 1.00 0.00 H new ATOM 0 HB VAL A 67 -9.069 9.894 8.227 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.754 9.399 7.513 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.003 9.034 9.237 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.958 7.713 8.045 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -8.621 9.194 5.906 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.890 7.497 6.370 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -10.229 8.666 6.456 1.00 0.00 H new ATOM 968 N GLU A 68 -11.795 7.153 9.187 1.00 0.00 N ATOM 969 CA GLU A 68 -13.248 7.232 9.066 1.00 0.00 C ATOM 970 C GLU A 68 -13.877 7.895 10.284 1.00 0.00 C ATOM 971 O GLU A 68 -14.995 8.398 10.210 1.00 0.00 O ATOM 972 CB GLU A 68 -13.843 5.836 8.904 1.00 0.00 C ATOM 973 CG GLU A 68 -13.295 5.057 7.723 1.00 0.00 C ATOM 974 CD GLU A 68 -13.824 3.641 7.687 1.00 0.00 C ATOM 975 OE1 GLU A 68 -13.574 2.892 8.653 1.00 0.00 O ATOM 976 OE2 GLU A 68 -14.508 3.280 6.704 1.00 0.00 O ATOM 0 H GLU A 68 -11.446 6.240 9.477 1.00 0.00 H new ATOM 0 HA GLU A 68 -13.466 7.837 8.186 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -13.660 5.268 9.816 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -14.924 5.925 8.796 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -13.560 5.567 6.797 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -12.206 5.037 7.775 1.00 0.00 H new ATOM 983 N LYS A 69 -13.172 7.879 11.406 1.00 0.00 N ATOM 984 CA LYS A 69 -13.728 8.404 12.647 1.00 0.00 C ATOM 985 C LYS A 69 -13.166 9.787 12.959 1.00 0.00 C ATOM 986 O LYS A 69 -13.579 10.431 13.925 1.00 0.00 O ATOM 987 CB LYS A 69 -13.448 7.446 13.809 1.00 0.00 C ATOM 988 CG LYS A 69 -13.990 6.036 13.596 1.00 0.00 C ATOM 989 CD LYS A 69 -15.500 6.038 13.403 1.00 0.00 C ATOM 990 CE LYS A 69 -16.067 4.629 13.262 1.00 0.00 C ATOM 991 NZ LYS A 69 -15.492 3.896 12.101 1.00 0.00 N ATOM 0 H LYS A 69 -12.223 7.512 11.484 1.00 0.00 H new ATOM 0 HA LYS A 69 -14.806 8.495 12.518 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -12.371 7.390 13.969 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -13.884 7.858 14.719 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -13.512 5.590 12.724 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -13.733 5.414 14.453 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -15.972 6.534 14.251 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -15.750 6.618 12.515 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -15.869 4.068 14.176 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -17.150 4.686 13.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -15.993 2.993 11.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -15.598 4.471 11.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -14.483 3.712 12.272 1.00 0.00 H new ATOM 1005 N GLU A 70 -12.231 10.240 12.137 1.00 0.00 N ATOM 1006 CA GLU A 70 -11.638 11.558 12.303 1.00 0.00 C ATOM 1007 C GLU A 70 -12.599 12.621 11.791 1.00 0.00 C ATOM 1008 O GLU A 70 -13.498 12.322 11.006 1.00 0.00 O ATOM 1009 CB GLU A 70 -10.318 11.641 11.534 1.00 0.00 C ATOM 1010 CG GLU A 70 -9.321 10.559 11.909 1.00 0.00 C ATOM 1011 CD GLU A 70 -8.917 10.614 13.368 1.00 0.00 C ATOM 1012 OE1 GLU A 70 -8.114 11.501 13.731 1.00 0.00 O ATOM 1013 OE2 GLU A 70 -9.382 9.763 14.155 1.00 0.00 O ATOM 0 H GLU A 70 -11.866 9.711 11.345 1.00 0.00 H new ATOM 0 HA GLU A 70 -11.442 11.728 13.362 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -10.526 11.576 10.466 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -9.865 12.616 11.712 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.753 9.582 11.693 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -8.432 10.659 11.286 1.00 0.00 H new ATOM 1020 N THR A 71 -12.426 13.855 12.239 1.00 0.00 N ATOM 1021 CA THR A 71 -13.242 14.941 11.732 1.00 0.00 C ATOM 1022 C THR A 71 -12.812 15.271 10.313 1.00 0.00 C ATOM 1023 O THR A 71 -11.715 14.884 9.895 1.00 0.00 O ATOM 1024 CB THR A 71 -13.152 16.214 12.603 1.00 0.00 C ATOM 1025 OG1 THR A 71 -11.873 16.839 12.445 1.00 0.00 O ATOM 1026 CG2 THR A 71 -13.368 15.885 14.069 1.00 0.00 C ATOM 0 H THR A 71 -11.738 14.125 12.942 1.00 0.00 H new ATOM 0 HA THR A 71 -14.279 14.606 11.756 1.00 0.00 H new ATOM 0 HB THR A 71 -13.935 16.897 12.273 1.00 0.00 H new ATOM 0 HG1 THR A 71 -11.796 17.589 13.072 1.00 0.00 H new ATOM 0 HG21 THR A 71 -13.300 16.798 14.661 1.00 0.00 H new ATOM 0 HG22 THR A 71 -14.354 15.440 14.201 1.00 0.00 H new ATOM 0 HG23 THR A 71 -12.605 15.180 14.400 1.00 0.00 H new ATOM 1034 N HIS A 72 -13.650 15.975 9.575 1.00 0.00 N ATOM 1035 CA HIS A 72 -13.342 16.287 8.188 1.00 0.00 C ATOM 1036 C HIS A 72 -11.998 17.001 8.072 1.00 0.00 C ATOM 1037 O HIS A 72 -11.166 16.640 7.234 1.00 0.00 O ATOM 1038 CB HIS A 72 -14.450 17.140 7.565 1.00 0.00 C ATOM 1039 CG HIS A 72 -14.109 17.646 6.198 1.00 0.00 C ATOM 1040 ND1 HIS A 72 -13.832 16.813 5.137 1.00 0.00 N ATOM 1041 CD2 HIS A 72 -13.967 18.908 5.732 1.00 0.00 C ATOM 1042 CE1 HIS A 72 -13.533 17.543 4.080 1.00 0.00 C ATOM 1043 NE2 HIS A 72 -13.608 18.812 4.414 1.00 0.00 N ATOM 0 H HIS A 72 -14.543 16.340 9.907 1.00 0.00 H new ATOM 0 HA HIS A 72 -13.278 15.346 7.642 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -15.365 16.550 7.509 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -14.657 17.988 8.218 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -13.854 15.794 5.164 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -14.110 19.819 6.294 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -13.271 17.162 3.104 1.00 0.00 H new ATOM 1052 N GLN A 73 -11.784 17.995 8.922 1.00 0.00 N ATOM 1053 CA GLN A 73 -10.554 18.769 8.886 1.00 0.00 C ATOM 1054 C GLN A 73 -9.360 17.902 9.275 1.00 0.00 C ATOM 1055 O GLN A 73 -8.278 18.038 8.705 1.00 0.00 O ATOM 1056 CB GLN A 73 -10.651 19.984 9.809 1.00 0.00 C ATOM 1057 CG GLN A 73 -9.558 21.011 9.567 1.00 0.00 C ATOM 1058 CD GLN A 73 -9.618 21.599 8.169 1.00 0.00 C ATOM 1059 OE1 GLN A 73 -9.027 21.067 7.231 1.00 0.00 O ATOM 1060 NE2 GLN A 73 -10.331 22.704 8.018 1.00 0.00 N ATOM 0 H GLN A 73 -12.445 18.283 9.643 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.407 19.122 7.865 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -11.623 20.459 9.672 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -10.603 19.649 10.845 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -9.647 21.813 10.300 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -8.585 20.545 9.721 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -10.808 23.117 8.820 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -10.404 23.143 7.100 1.00 0.00 H new ATOM 1069 N GLN A 74 -9.567 17.000 10.232 1.00 0.00 N ATOM 1070 CA GLN A 74 -8.508 16.091 10.664 1.00 0.00 C ATOM 1071 C GLN A 74 -8.044 15.220 9.504 1.00 0.00 C ATOM 1072 O GLN A 74 -6.845 15.051 9.286 1.00 0.00 O ATOM 1073 CB GLN A 74 -8.976 15.204 11.820 1.00 0.00 C ATOM 1074 CG GLN A 74 -9.177 15.952 13.126 1.00 0.00 C ATOM 1075 CD GLN A 74 -7.902 16.578 13.649 1.00 0.00 C ATOM 1076 OE1 GLN A 74 -6.807 16.060 13.437 1.00 0.00 O ATOM 1077 NE2 GLN A 74 -8.037 17.702 14.330 1.00 0.00 N ATOM 0 H GLN A 74 -10.454 16.879 10.721 1.00 0.00 H new ATOM 0 HA GLN A 74 -7.673 16.700 11.011 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -9.913 14.723 11.540 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -8.245 14.411 11.976 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -9.925 16.731 12.981 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -9.572 15.266 13.875 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -8.965 18.097 14.483 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -7.213 18.174 14.703 1.00 0.00 H new ATOM 1086 N VAL A 75 -9.003 14.684 8.758 1.00 0.00 N ATOM 1087 CA VAL A 75 -8.704 13.840 7.607 1.00 0.00 C ATOM 1088 C VAL A 75 -7.891 14.607 6.566 1.00 0.00 C ATOM 1089 O VAL A 75 -6.838 14.144 6.122 1.00 0.00 O ATOM 1090 CB VAL A 75 -9.994 13.301 6.955 1.00 0.00 C ATOM 1091 CG1 VAL A 75 -9.671 12.429 5.752 1.00 0.00 C ATOM 1092 CG2 VAL A 75 -10.817 12.524 7.968 1.00 0.00 C ATOM 0 H VAL A 75 -9.999 14.820 8.931 1.00 0.00 H new ATOM 0 HA VAL A 75 -8.117 12.996 7.970 1.00 0.00 H new ATOM 0 HB VAL A 75 -10.581 14.152 6.610 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -10.597 12.061 5.310 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.124 13.016 5.014 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -9.060 11.584 6.069 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -11.723 12.151 7.491 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -10.233 11.684 8.344 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -11.086 13.179 8.797 1.00 0.00 H new ATOM 1102 N VAL A 76 -8.373 15.790 6.204 1.00 0.00 N ATOM 1103 CA VAL A 76 -7.694 16.628 5.220 1.00 0.00 C ATOM 1104 C VAL A 76 -6.291 16.989 5.707 1.00 0.00 C ATOM 1105 O VAL A 76 -5.334 17.001 4.929 1.00 0.00 O ATOM 1106 CB VAL A 76 -8.497 17.917 4.927 1.00 0.00 C ATOM 1107 CG1 VAL A 76 -7.812 18.759 3.860 1.00 0.00 C ATOM 1108 CG2 VAL A 76 -9.912 17.574 4.493 1.00 0.00 C ATOM 0 H VAL A 76 -9.233 16.192 6.577 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.618 16.057 4.295 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.541 18.501 5.847 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -8.399 19.659 3.674 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.816 19.039 4.202 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.730 18.183 2.938 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -10.463 18.492 4.291 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -9.878 16.965 3.590 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -10.411 17.018 5.287 1.00 0.00 H new ATOM 1118 N SER A 77 -6.173 17.250 7.004 1.00 0.00 N ATOM 1119 CA SER A 77 -4.892 17.586 7.608 1.00 0.00 C ATOM 1120 C SER A 77 -3.910 16.420 7.483 1.00 0.00 C ATOM 1121 O SER A 77 -2.721 16.621 7.235 1.00 0.00 O ATOM 1122 CB SER A 77 -5.092 17.965 9.082 1.00 0.00 C ATOM 1123 OG SER A 77 -3.915 18.526 9.643 1.00 0.00 O ATOM 0 H SER A 77 -6.954 17.235 7.659 1.00 0.00 H new ATOM 0 HA SER A 77 -4.471 18.440 7.078 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.912 18.679 9.167 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.380 17.080 9.650 1.00 0.00 H new ATOM 0 HG SER A 77 -4.078 18.757 10.581 1.00 0.00 H new ATOM 1129 N ARG A 78 -4.414 15.199 7.643 1.00 0.00 N ATOM 1130 CA ARG A 78 -3.583 14.006 7.524 1.00 0.00 C ATOM 1131 C ARG A 78 -3.089 13.821 6.093 1.00 0.00 C ATOM 1132 O ARG A 78 -1.939 13.454 5.867 1.00 0.00 O ATOM 1133 CB ARG A 78 -4.357 12.758 7.949 1.00 0.00 C ATOM 1134 CG ARG A 78 -4.758 12.740 9.413 1.00 0.00 C ATOM 1135 CD ARG A 78 -5.354 11.395 9.790 1.00 0.00 C ATOM 1136 NE ARG A 78 -5.712 11.310 11.204 1.00 0.00 N ATOM 1137 CZ ARG A 78 -5.285 10.342 12.012 1.00 0.00 C ATOM 1138 NH1 ARG A 78 -4.379 9.478 11.583 1.00 0.00 N ATOM 1139 NH2 ARG A 78 -5.735 10.258 13.256 1.00 0.00 N ATOM 0 H ARG A 78 -5.394 15.011 7.855 1.00 0.00 H new ATOM 0 HA ARG A 78 -2.726 14.143 8.184 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -5.255 12.676 7.337 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -3.748 11.878 7.740 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -3.888 12.945 10.036 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.482 13.531 9.607 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -6.241 11.213 9.184 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.639 10.607 9.553 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.321 12.030 11.592 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -4.010 9.555 10.635 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -4.050 8.735 12.200 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -6.413 10.938 13.600 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -5.403 9.513 13.869 1.00 0.00 H new ATOM 1153 N ILE A 79 -3.969 14.072 5.132 1.00 0.00 N ATOM 1154 CA ILE A 79 -3.634 13.887 3.727 1.00 0.00 C ATOM 1155 C ILE A 79 -2.637 14.946 3.267 1.00 0.00 C ATOM 1156 O ILE A 79 -1.746 14.670 2.462 1.00 0.00 O ATOM 1157 CB ILE A 79 -4.899 13.928 2.840 1.00 0.00 C ATOM 1158 CG1 ILE A 79 -5.949 12.955 3.384 1.00 0.00 C ATOM 1159 CG2 ILE A 79 -4.550 13.569 1.402 1.00 0.00 C ATOM 1160 CD1 ILE A 79 -7.271 13.013 2.650 1.00 0.00 C ATOM 0 H ILE A 79 -4.919 14.404 5.300 1.00 0.00 H new ATOM 0 HA ILE A 79 -3.176 12.903 3.623 1.00 0.00 H new ATOM 0 HB ILE A 79 -5.307 14.939 2.857 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -5.556 11.940 3.326 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -6.119 13.171 4.439 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -5.451 13.602 0.790 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.822 14.282 1.015 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.127 12.565 1.370 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.964 12.297 3.091 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -7.688 14.017 2.730 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -7.115 12.767 1.600 1.00 0.00 H new ATOM 1172 N ARG A 80 -2.780 16.155 3.797 1.00 0.00 N ATOM 1173 CA ARG A 80 -1.851 17.239 3.489 1.00 0.00 C ATOM 1174 C ARG A 80 -0.493 16.995 4.140 1.00 0.00 C ATOM 1175 O ARG A 80 0.531 17.489 3.665 1.00 0.00 O ATOM 1176 CB ARG A 80 -2.393 18.586 3.968 1.00 0.00 C ATOM 1177 CG ARG A 80 -3.606 19.085 3.201 1.00 0.00 C ATOM 1178 CD ARG A 80 -3.932 20.518 3.590 1.00 0.00 C ATOM 1179 NE ARG A 80 -2.789 21.404 3.366 1.00 0.00 N ATOM 1180 CZ ARG A 80 -2.427 22.393 4.185 1.00 0.00 C ATOM 1181 NH1 ARG A 80 -3.167 22.703 5.243 1.00 0.00 N ATOM 1182 NH2 ARG A 80 -1.322 23.080 3.926 1.00 0.00 N ATOM 0 H ARG A 80 -3.528 16.411 4.441 1.00 0.00 H new ATOM 0 HA ARG A 80 -1.737 17.263 2.405 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -2.654 18.504 5.023 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -1.600 19.330 3.893 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -3.414 19.028 2.130 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -4.462 18.443 3.406 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -4.786 20.869 3.010 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -4.223 20.555 4.640 1.00 0.00 H new ATOM 0 HE ARG A 80 -2.230 21.255 2.526 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -4.023 22.183 5.437 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -2.880 23.461 5.862 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -0.759 22.850 3.107 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -1.036 23.838 4.545 1.00 0.00 H new ATOM 1196 N ALA A 81 -0.502 16.231 5.227 1.00 0.00 N ATOM 1197 CA ALA A 81 0.704 15.959 6.004 1.00 0.00 C ATOM 1198 C ALA A 81 1.745 15.204 5.188 1.00 0.00 C ATOM 1199 O ALA A 81 2.938 15.263 5.485 1.00 0.00 O ATOM 1200 CB ALA A 81 0.350 15.168 7.252 1.00 0.00 C ATOM 0 H ALA A 81 -1.342 15.784 5.594 1.00 0.00 H new ATOM 0 HA ALA A 81 1.138 16.918 6.289 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.255 14.969 7.826 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.347 15.743 7.862 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.112 14.223 6.965 1.00 0.00 H new ATOM 1206 N ALA A 82 1.292 14.493 4.172 1.00 0.00 N ATOM 1207 CA ALA A 82 2.188 13.717 3.336 1.00 0.00 C ATOM 1208 C ALA A 82 2.868 14.590 2.294 1.00 0.00 C ATOM 1209 O ALA A 82 2.222 15.380 1.599 1.00 0.00 O ATOM 1210 CB ALA A 82 1.436 12.591 2.657 1.00 0.00 C ATOM 0 H ALA A 82 0.309 14.437 3.906 1.00 0.00 H new ATOM 0 HA ALA A 82 2.959 13.294 3.980 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.123 12.019 2.034 1.00 0.00 H new ATOM 0 HB2 ALA A 82 1.001 11.937 3.412 1.00 0.00 H new ATOM 0 HB3 ALA A 82 0.642 13.006 2.036 1.00 0.00 H new ATOM 1216 N LEU A 83 4.178 14.454 2.199 1.00 0.00 N ATOM 1217 CA LEU A 83 4.937 15.143 1.178 1.00 0.00 C ATOM 1218 C LEU A 83 5.304 14.179 0.062 1.00 0.00 C ATOM 1219 O LEU A 83 5.658 13.026 0.320 1.00 0.00 O ATOM 1220 CB LEU A 83 6.201 15.782 1.760 1.00 0.00 C ATOM 1221 CG LEU A 83 5.969 16.989 2.680 1.00 0.00 C ATOM 1222 CD1 LEU A 83 5.499 16.554 4.060 1.00 0.00 C ATOM 1223 CD2 LEU A 83 7.231 17.825 2.783 1.00 0.00 C ATOM 0 H LEU A 83 4.738 13.870 2.820 1.00 0.00 H new ATOM 0 HA LEU A 83 4.313 15.940 0.774 1.00 0.00 H new ATOM 0 HB2 LEU A 83 6.747 15.022 2.318 1.00 0.00 H new ATOM 0 HB3 LEU A 83 6.842 16.094 0.935 1.00 0.00 H new ATOM 0 HG LEU A 83 5.180 17.599 2.240 1.00 0.00 H new ATOM 0 HD11 LEU A 83 5.344 17.433 4.686 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.562 16.004 3.969 1.00 0.00 H new ATOM 0 HD13 LEU A 83 6.253 15.912 4.516 1.00 0.00 H new ATOM 0 HD21 LEU A 83 7.051 18.677 3.439 1.00 0.00 H new ATOM 0 HD22 LEU A 83 8.038 17.217 3.192 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.512 18.183 1.793 1.00 0.00 H new ATOM 1235 N ASN A 84 5.170 14.658 -1.172 1.00 0.00 N ATOM 1236 CA ASN A 84 5.545 13.909 -2.379 1.00 0.00 C ATOM 1237 C ASN A 84 4.532 12.812 -2.700 1.00 0.00 C ATOM 1238 O ASN A 84 3.936 12.816 -3.773 1.00 0.00 O ATOM 1239 CB ASN A 84 6.953 13.312 -2.258 1.00 0.00 C ATOM 1240 CG ASN A 84 7.442 12.683 -3.555 1.00 0.00 C ATOM 1241 OD1 ASN A 84 7.046 13.249 -4.687 1.00 0.00 O flip ATOM 1242 ND2 ASN A 84 8.190 11.705 -3.537 1.00 0.00 N flip ATOM 0 H ASN A 84 4.795 15.586 -1.369 1.00 0.00 H new ATOM 0 HA ASN A 84 5.546 14.622 -3.203 1.00 0.00 H new ATOM 0 HB2 ASN A 84 7.649 14.094 -1.954 1.00 0.00 H new ATOM 0 HB3 ASN A 84 6.956 12.558 -1.470 1.00 0.00 H new ATOM 0 HD21 ASN A 84 8.474 11.296 -2.647 1.00 0.00 H new ATOM 0 HD22 ASN A 84 8.526 11.304 -4.412 1.00 0.00 H new ATOM 1249 N ALA A 85 4.324 11.888 -1.772 1.00 0.00 N ATOM 1250 CA ALA A 85 3.424 10.771 -2.013 1.00 0.00 C ATOM 1251 C ALA A 85 2.647 10.387 -0.758 1.00 0.00 C ATOM 1252 O ALA A 85 3.174 10.421 0.356 1.00 0.00 O ATOM 1253 CB ALA A 85 4.200 9.575 -2.541 1.00 0.00 C ATOM 0 H ALA A 85 4.763 11.890 -0.852 1.00 0.00 H new ATOM 0 HA ALA A 85 2.699 11.087 -2.763 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.515 8.746 -2.717 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.692 9.844 -3.476 1.00 0.00 H new ATOM 0 HB3 ALA A 85 4.950 9.276 -1.809 1.00 0.00 H new ATOM 1259 N VAL A 86 1.388 10.029 -0.957 1.00 0.00 N ATOM 1260 CA VAL A 86 0.521 9.559 0.115 1.00 0.00 C ATOM 1261 C VAL A 86 -0.323 8.387 -0.391 1.00 0.00 C ATOM 1262 O VAL A 86 -0.746 8.375 -1.546 1.00 0.00 O ATOM 1263 CB VAL A 86 -0.406 10.695 0.626 1.00 0.00 C ATOM 1264 CG1 VAL A 86 -1.316 11.203 -0.481 1.00 0.00 C ATOM 1265 CG2 VAL A 86 -1.228 10.239 1.824 1.00 0.00 C ATOM 0 H VAL A 86 0.936 10.056 -1.871 1.00 0.00 H new ATOM 0 HA VAL A 86 1.145 9.234 0.947 1.00 0.00 H new ATOM 0 HB VAL A 86 0.233 11.518 0.945 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.953 11.998 -0.092 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.711 11.591 -1.300 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.938 10.385 -0.845 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.867 11.056 2.159 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.847 9.388 1.538 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -0.560 9.946 2.634 1.00 0.00 H new ATOM 1275 N ARG A 87 -0.548 7.395 0.456 1.00 0.00 N ATOM 1276 CA ARG A 87 -1.337 6.237 0.069 1.00 0.00 C ATOM 1277 C ARG A 87 -2.758 6.390 0.577 1.00 0.00 C ATOM 1278 O ARG A 87 -3.012 6.292 1.775 1.00 0.00 O ATOM 1279 CB ARG A 87 -0.716 4.962 0.636 1.00 0.00 C ATOM 1280 CG ARG A 87 0.690 4.698 0.126 1.00 0.00 C ATOM 1281 CD ARG A 87 1.487 3.828 1.087 1.00 0.00 C ATOM 1282 NE ARG A 87 0.889 2.509 1.303 1.00 0.00 N ATOM 1283 CZ ARG A 87 1.498 1.362 0.996 1.00 0.00 C ATOM 1284 NH1 ARG A 87 2.644 1.374 0.327 1.00 0.00 N ATOM 1285 NH2 ARG A 87 0.939 0.204 1.330 1.00 0.00 N ATOM 0 H ARG A 87 -0.196 7.369 1.413 1.00 0.00 H new ATOM 0 HA ARG A 87 -1.351 6.167 -1.019 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -0.693 5.030 1.724 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -1.352 4.113 0.383 1.00 0.00 H new ATOM 0 HG2 ARG A 87 0.638 4.210 -0.847 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.207 5.646 -0.020 1.00 0.00 H new ATOM 0 HD2 ARG A 87 2.498 3.702 0.700 1.00 0.00 H new ATOM 0 HD3 ARG A 87 1.574 4.341 2.045 1.00 0.00 H new ATOM 0 HE ARG A 87 -0.045 2.464 1.711 1.00 0.00 H new ATOM 0 HH11 ARG A 87 3.061 2.261 0.046 1.00 0.00 H new ATOM 0 HH12 ARG A 87 3.107 0.496 0.094 1.00 0.00 H new ATOM 0 HH21 ARG A 87 0.045 0.192 1.821 1.00 0.00 H new ATOM 0 HH22 ARG A 87 1.404 -0.673 1.096 1.00 0.00 H new ATOM 1299 N LEU A 88 -3.680 6.623 -0.328 1.00 0.00 N ATOM 1300 CA LEU A 88 -5.070 6.783 0.043 1.00 0.00 C ATOM 1301 C LEU A 88 -5.859 5.560 -0.376 1.00 0.00 C ATOM 1302 O LEU A 88 -5.929 5.224 -1.560 1.00 0.00 O ATOM 1303 CB LEU A 88 -5.656 8.046 -0.589 1.00 0.00 C ATOM 1304 CG LEU A 88 -4.992 9.354 -0.148 1.00 0.00 C ATOM 1305 CD1 LEU A 88 -5.658 10.539 -0.823 1.00 0.00 C ATOM 1306 CD2 LEU A 88 -5.059 9.501 1.365 1.00 0.00 C ATOM 0 H LEU A 88 -3.494 6.706 -1.327 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.134 6.888 1.126 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.577 7.963 -1.673 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -6.718 8.096 -0.349 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.944 9.327 -0.447 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.175 11.461 -0.499 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -5.565 10.441 -1.905 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.713 10.567 -0.551 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.583 10.436 1.661 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -6.101 9.508 1.684 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.541 8.665 1.835 1.00 0.00 H new ATOM 1318 N LEU A 89 -6.427 4.879 0.601 1.00 0.00 N ATOM 1319 CA LEU A 89 -7.225 3.705 0.327 1.00 0.00 C ATOM 1320 C LEU A 89 -8.663 4.108 0.063 1.00 0.00 C ATOM 1321 O LEU A 89 -9.306 4.749 0.900 1.00 0.00 O ATOM 1322 CB LEU A 89 -7.173 2.718 1.488 1.00 0.00 C ATOM 1323 CG LEU A 89 -8.024 1.466 1.288 1.00 0.00 C ATOM 1324 CD1 LEU A 89 -7.464 0.600 0.168 1.00 0.00 C ATOM 1325 CD2 LEU A 89 -8.121 0.683 2.576 1.00 0.00 C ATOM 0 H LEU A 89 -6.349 5.120 1.589 1.00 0.00 H new ATOM 0 HA LEU A 89 -6.813 3.216 -0.556 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -6.138 2.417 1.648 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.501 3.225 2.395 1.00 0.00 H new ATOM 0 HG LEU A 89 -9.028 1.778 0.999 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.088 -0.285 0.046 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -7.455 1.169 -0.762 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -6.447 0.296 0.417 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -8.731 -0.206 2.416 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -7.123 0.385 2.897 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -8.580 1.304 3.346 1.00 0.00 H new ATOM 1337 N VAL A 90 -9.162 3.721 -1.093 1.00 0.00 N ATOM 1338 CA VAL A 90 -10.502 4.092 -1.500 1.00 0.00 C ATOM 1339 C VAL A 90 -11.241 2.886 -2.054 1.00 0.00 C ATOM 1340 O VAL A 90 -10.632 1.945 -2.577 1.00 0.00 O ATOM 1341 CB VAL A 90 -10.499 5.234 -2.551 1.00 0.00 C ATOM 1342 CG1 VAL A 90 -10.052 6.545 -1.922 1.00 0.00 C ATOM 1343 CG2 VAL A 90 -9.610 4.887 -3.739 1.00 0.00 C ATOM 0 H VAL A 90 -8.658 3.148 -1.769 1.00 0.00 H new ATOM 0 HA VAL A 90 -11.016 4.459 -0.612 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.520 5.353 -2.914 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -10.057 7.331 -2.677 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -10.734 6.812 -1.115 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -9.044 6.432 -1.523 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -9.628 5.706 -4.458 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -8.588 4.729 -3.395 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -9.977 3.978 -4.215 1.00 0.00 H new ATOM 1353 N VAL A 91 -12.547 2.913 -1.902 1.00 0.00 N ATOM 1354 CA VAL A 91 -13.403 1.843 -2.369 1.00 0.00 C ATOM 1355 C VAL A 91 -14.771 2.413 -2.737 1.00 0.00 C ATOM 1356 O VAL A 91 -15.181 3.440 -2.187 1.00 0.00 O ATOM 1357 CB VAL A 91 -13.545 0.748 -1.278 1.00 0.00 C ATOM 1358 CG1 VAL A 91 -14.162 1.319 -0.011 1.00 0.00 C ATOM 1359 CG2 VAL A 91 -14.353 -0.439 -1.783 1.00 0.00 C ATOM 0 H VAL A 91 -13.047 3.679 -1.450 1.00 0.00 H new ATOM 0 HA VAL A 91 -12.957 1.385 -3.252 1.00 0.00 H new ATOM 0 HB VAL A 91 -12.543 0.391 -1.039 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -14.251 0.532 0.737 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -13.528 2.117 0.375 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -15.151 1.719 -0.236 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -14.433 -1.187 -0.994 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -15.350 -0.105 -2.069 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -13.855 -0.876 -2.648 1.00 0.00 H new ATOM 1369 N ASP A 92 -15.460 1.780 -3.679 1.00 0.00 N ATOM 1370 CA ASP A 92 -16.836 2.161 -3.983 1.00 0.00 C ATOM 1371 C ASP A 92 -17.690 1.897 -2.757 1.00 0.00 C ATOM 1372 O ASP A 92 -17.657 0.800 -2.210 1.00 0.00 O ATOM 1373 CB ASP A 92 -17.403 1.357 -5.159 1.00 0.00 C ATOM 1374 CG ASP A 92 -16.597 1.491 -6.430 1.00 0.00 C ATOM 1375 OD1 ASP A 92 -16.509 2.609 -6.972 1.00 0.00 O ATOM 1376 OD2 ASP A 92 -16.047 0.469 -6.899 1.00 0.00 O ATOM 0 H ASP A 92 -15.095 1.010 -4.240 1.00 0.00 H new ATOM 0 HA ASP A 92 -16.847 3.216 -4.257 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -17.451 0.305 -4.879 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -18.425 1.683 -5.351 1.00 0.00 H new ATOM 1381 N PRO A 93 -18.461 2.898 -2.305 1.00 0.00 N ATOM 1382 CA PRO A 93 -19.310 2.769 -1.114 1.00 0.00 C ATOM 1383 C PRO A 93 -20.289 1.605 -1.232 1.00 0.00 C ATOM 1384 O PRO A 93 -20.660 0.986 -0.234 1.00 0.00 O ATOM 1385 CB PRO A 93 -20.055 4.104 -1.052 1.00 0.00 C ATOM 1386 CG PRO A 93 -19.210 5.053 -1.832 1.00 0.00 C ATOM 1387 CD PRO A 93 -18.560 4.237 -2.913 1.00 0.00 C ATOM 0 HA PRO A 93 -18.728 2.560 -0.217 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -21.053 4.019 -1.482 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -20.178 4.440 -0.022 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -19.814 5.854 -2.258 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -18.461 5.523 -1.195 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -19.159 4.223 -3.823 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -17.580 4.631 -3.182 1.00 0.00 H new ATOM 1395 N GLU A 94 -20.697 1.311 -2.457 1.00 0.00 N ATOM 1396 CA GLU A 94 -21.544 0.158 -2.725 1.00 0.00 C ATOM 1397 C GLU A 94 -20.746 -1.140 -2.583 1.00 0.00 C ATOM 1398 O GLU A 94 -21.235 -2.124 -2.024 1.00 0.00 O ATOM 1399 CB GLU A 94 -22.144 0.262 -4.128 1.00 0.00 C ATOM 1400 CG GLU A 94 -21.106 0.462 -5.221 1.00 0.00 C ATOM 1401 CD GLU A 94 -21.703 0.415 -6.608 1.00 0.00 C ATOM 1402 OE1 GLU A 94 -22.000 -0.695 -7.092 1.00 0.00 O ATOM 1403 OE2 GLU A 94 -21.871 1.488 -7.227 1.00 0.00 O ATOM 0 H GLU A 94 -20.455 1.857 -3.284 1.00 0.00 H new ATOM 0 HA GLU A 94 -22.354 0.144 -1.996 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -22.712 -0.644 -4.339 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -22.849 1.093 -4.152 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -20.611 1.422 -5.075 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -20.339 -0.308 -5.134 1.00 0.00 H new ATOM 1410 N THR A 95 -19.517 -1.128 -3.082 1.00 0.00 N ATOM 1411 CA THR A 95 -18.650 -2.294 -3.037 1.00 0.00 C ATOM 1412 C THR A 95 -18.156 -2.553 -1.616 1.00 0.00 C ATOM 1413 O THR A 95 -18.067 -3.698 -1.188 1.00 0.00 O ATOM 1414 CB THR A 95 -17.456 -2.125 -3.995 1.00 0.00 C ATOM 1415 OG1 THR A 95 -17.943 -1.767 -5.295 1.00 0.00 O ATOM 1416 CG2 THR A 95 -16.640 -3.405 -4.097 1.00 0.00 C ATOM 0 H THR A 95 -19.096 -0.313 -3.527 1.00 0.00 H new ATOM 0 HA THR A 95 -19.234 -3.156 -3.360 1.00 0.00 H new ATOM 0 HB THR A 95 -16.809 -1.341 -3.602 1.00 0.00 H new ATOM 0 HG1 THR A 95 -17.187 -1.656 -5.909 1.00 0.00 H new ATOM 0 HG21 THR A 95 -15.805 -3.251 -4.781 1.00 0.00 H new ATOM 0 HG22 THR A 95 -16.257 -3.672 -3.112 1.00 0.00 H new ATOM 0 HG23 THR A 95 -17.272 -4.210 -4.471 1.00 0.00 H new ATOM 1424 N ASP A 96 -17.861 -1.485 -0.883 1.00 0.00 N ATOM 1425 CA ASP A 96 -17.461 -1.593 0.521 1.00 0.00 C ATOM 1426 C ASP A 96 -18.565 -2.271 1.324 1.00 0.00 C ATOM 1427 O ASP A 96 -18.306 -3.137 2.159 1.00 0.00 O ATOM 1428 CB ASP A 96 -17.167 -0.200 1.087 1.00 0.00 C ATOM 1429 CG ASP A 96 -16.987 -0.186 2.593 1.00 0.00 C ATOM 1430 OD1 ASP A 96 -15.878 -0.508 3.078 1.00 0.00 O ATOM 1431 OD2 ASP A 96 -17.958 0.167 3.296 1.00 0.00 O ATOM 0 H ASP A 96 -17.891 -0.529 -1.237 1.00 0.00 H new ATOM 0 HA ASP A 96 -16.557 -2.197 0.592 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -16.265 0.192 0.617 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -17.983 0.472 0.820 1.00 0.00 H new ATOM 1436 N GLU A 97 -19.797 -1.887 1.018 1.00 0.00 N ATOM 1437 CA GLU A 97 -20.980 -2.492 1.613 1.00 0.00 C ATOM 1438 C GLU A 97 -21.029 -3.986 1.296 1.00 0.00 C ATOM 1439 O GLU A 97 -21.392 -4.808 2.140 1.00 0.00 O ATOM 1440 CB GLU A 97 -22.224 -1.792 1.069 1.00 0.00 C ATOM 1441 CG GLU A 97 -23.537 -2.399 1.523 1.00 0.00 C ATOM 1442 CD GLU A 97 -24.720 -1.727 0.871 1.00 0.00 C ATOM 1443 OE1 GLU A 97 -25.221 -0.734 1.433 1.00 0.00 O ATOM 1444 OE2 GLU A 97 -25.145 -2.176 -0.218 1.00 0.00 O ATOM 0 H GLU A 97 -20.004 -1.146 0.349 1.00 0.00 H new ATOM 0 HA GLU A 97 -20.942 -2.376 2.696 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -22.198 -0.745 1.372 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -22.188 -1.809 -0.020 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -23.547 -3.463 1.286 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -23.622 -2.313 2.606 1.00 0.00 H new ATOM 1451 N GLN A 98 -20.650 -4.326 0.068 1.00 0.00 N ATOM 1452 CA GLN A 98 -20.585 -5.712 -0.363 1.00 0.00 C ATOM 1453 C GLN A 98 -19.473 -6.444 0.384 1.00 0.00 C ATOM 1454 O GLN A 98 -19.661 -7.570 0.839 1.00 0.00 O ATOM 1455 CB GLN A 98 -20.336 -5.787 -1.874 1.00 0.00 C ATOM 1456 CG GLN A 98 -20.313 -7.205 -2.428 1.00 0.00 C ATOM 1457 CD GLN A 98 -21.655 -7.896 -2.310 1.00 0.00 C ATOM 1458 OE1 GLN A 98 -22.488 -7.815 -3.212 1.00 0.00 O ATOM 1459 NE2 GLN A 98 -21.881 -8.563 -1.190 1.00 0.00 N ATOM 0 H GLN A 98 -20.382 -3.652 -0.649 1.00 0.00 H new ATOM 0 HA GLN A 98 -21.538 -6.191 -0.138 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -21.112 -5.219 -2.388 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -19.385 -5.304 -2.100 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -20.013 -7.177 -3.476 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -19.560 -7.787 -1.896 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -21.162 -8.605 -0.467 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -22.774 -9.035 -1.049 1.00 0.00 H new ATOM 1468 N LEU A 99 -18.325 -5.783 0.518 1.00 0.00 N ATOM 1469 CA LEU A 99 -17.151 -6.370 1.163 1.00 0.00 C ATOM 1470 C LEU A 99 -17.452 -6.758 2.602 1.00 0.00 C ATOM 1471 O LEU A 99 -16.883 -7.716 3.122 1.00 0.00 O ATOM 1472 CB LEU A 99 -15.969 -5.401 1.140 1.00 0.00 C ATOM 1473 CG LEU A 99 -15.511 -4.935 -0.244 1.00 0.00 C ATOM 1474 CD1 LEU A 99 -14.042 -4.571 -0.206 1.00 0.00 C ATOM 1475 CD2 LEU A 99 -15.774 -5.997 -1.297 1.00 0.00 C ATOM 0 H LEU A 99 -18.182 -4.830 0.184 1.00 0.00 H new ATOM 0 HA LEU A 99 -16.890 -7.266 0.600 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -16.233 -4.522 1.728 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -15.125 -5.877 1.639 1.00 0.00 H new ATOM 0 HG LEU A 99 -16.087 -4.051 -0.517 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -13.723 -4.240 -1.195 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -13.885 -3.767 0.514 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -13.459 -5.443 0.090 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -15.438 -5.636 -2.269 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -15.231 -6.907 -1.040 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -16.842 -6.211 -1.339 1.00 0.00 H new ATOM 1487 N GLN A 100 -18.335 -6.000 3.247 1.00 0.00 N ATOM 1488 CA GLN A 100 -18.753 -6.305 4.610 1.00 0.00 C ATOM 1489 C GLN A 100 -19.344 -7.713 4.686 1.00 0.00 C ATOM 1490 O GLN A 100 -19.155 -8.421 5.674 1.00 0.00 O ATOM 1491 CB GLN A 100 -19.774 -5.277 5.102 1.00 0.00 C ATOM 1492 CG GLN A 100 -19.250 -3.848 5.105 1.00 0.00 C ATOM 1493 CD GLN A 100 -18.097 -3.633 6.074 1.00 0.00 C ATOM 1494 OE1 GLN A 100 -18.125 -4.320 7.206 1.00 0.00 O flip ATOM 1495 NE2 GLN A 100 -17.202 -2.828 5.822 1.00 0.00 N flip ATOM 0 H GLN A 100 -18.774 -5.171 2.847 1.00 0.00 H new ATOM 0 HA GLN A 100 -17.875 -6.259 5.255 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -20.661 -5.328 4.471 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -20.086 -5.542 6.112 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -18.924 -3.586 4.099 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -20.064 -3.170 5.363 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -17.211 -2.315 4.940 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -16.451 -2.673 6.495 1.00 0.00 H new ATOM 1504 N LYS A 101 -20.050 -8.110 3.629 1.00 0.00 N ATOM 1505 CA LYS A 101 -20.630 -9.445 3.535 1.00 0.00 C ATOM 1506 C LYS A 101 -19.549 -10.508 3.363 1.00 0.00 C ATOM 1507 O LYS A 101 -19.688 -11.628 3.853 1.00 0.00 O ATOM 1508 CB LYS A 101 -21.622 -9.514 2.371 1.00 0.00 C ATOM 1509 CG LYS A 101 -22.928 -8.785 2.637 1.00 0.00 C ATOM 1510 CD LYS A 101 -23.727 -9.475 3.732 1.00 0.00 C ATOM 1511 CE LYS A 101 -25.032 -8.754 4.023 1.00 0.00 C ATOM 1512 NZ LYS A 101 -25.865 -9.503 5.001 1.00 0.00 N ATOM 0 H LYS A 101 -20.234 -7.518 2.819 1.00 0.00 H new ATOM 0 HA LYS A 101 -21.158 -9.645 4.467 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -21.155 -9.091 1.482 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -21.838 -10.559 2.151 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -22.721 -7.755 2.928 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -23.519 -8.745 1.722 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -23.939 -10.502 3.434 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -23.129 -9.524 4.642 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -24.819 -7.758 4.413 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -25.590 -8.621 3.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -26.748 -8.982 5.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -26.088 -10.444 4.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -25.342 -9.608 5.894 1.00 0.00 H new ATOM 1526 N LEU A 102 -18.475 -10.158 2.661 1.00 0.00 N ATOM 1527 CA LEU A 102 -17.376 -11.094 2.446 1.00 0.00 C ATOM 1528 C LEU A 102 -16.520 -11.207 3.698 1.00 0.00 C ATOM 1529 O LEU A 102 -16.092 -12.294 4.082 1.00 0.00 O ATOM 1530 CB LEU A 102 -16.506 -10.675 1.252 1.00 0.00 C ATOM 1531 CG LEU A 102 -17.214 -10.690 -0.101 1.00 0.00 C ATOM 1532 CD1 LEU A 102 -17.592 -9.289 -0.532 1.00 0.00 C ATOM 1533 CD2 LEU A 102 -16.348 -11.352 -1.158 1.00 0.00 C ATOM 0 H LEU A 102 -18.342 -9.241 2.234 1.00 0.00 H new ATOM 0 HA LEU A 102 -17.812 -12.068 2.222 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -16.125 -9.670 1.434 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -15.643 -11.339 1.201 1.00 0.00 H new ATOM 0 HG LEU A 102 -18.129 -11.272 0.010 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -18.095 -9.329 -1.498 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -18.261 -8.849 0.207 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -16.693 -8.679 -0.616 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -16.874 -11.350 -2.113 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -15.412 -10.802 -1.258 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -16.135 -12.379 -0.863 1.00 0.00 H new ATOM 1545 N GLY A 103 -16.283 -10.065 4.328 1.00 0.00 N ATOM 1546 CA GLY A 103 -15.532 -10.027 5.571 1.00 0.00 C ATOM 1547 C GLY A 103 -14.035 -10.077 5.349 1.00 0.00 C ATOM 1548 O GLY A 103 -13.261 -10.171 6.301 1.00 0.00 O ATOM 0 H GLY A 103 -16.601 -9.154 3.997 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -15.784 -9.117 6.116 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -15.831 -10.867 6.198 1.00 0.00 H new ATOM 1552 N VAL A 104 -13.633 -9.999 4.091 1.00 0.00 N ATOM 1553 CA VAL A 104 -12.227 -10.118 3.717 1.00 0.00 C ATOM 1554 C VAL A 104 -11.426 -8.874 4.130 1.00 0.00 C ATOM 1555 O VAL A 104 -11.961 -7.763 4.188 1.00 0.00 O ATOM 1556 CB VAL A 104 -12.091 -10.361 2.199 1.00 0.00 C ATOM 1557 CG1 VAL A 104 -12.541 -9.138 1.417 1.00 0.00 C ATOM 1558 CG2 VAL A 104 -10.669 -10.761 1.828 1.00 0.00 C ATOM 0 H VAL A 104 -14.264 -9.853 3.303 1.00 0.00 H new ATOM 0 HA VAL A 104 -11.815 -10.974 4.252 1.00 0.00 H new ATOM 0 HB VAL A 104 -12.744 -11.192 1.931 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -12.437 -9.330 0.349 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -13.584 -8.923 1.647 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -11.925 -8.282 1.693 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -10.606 -10.925 0.752 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -9.981 -9.966 2.115 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -10.401 -11.679 2.351 1.00 0.00 H new ATOM 1568 N GLN A 105 -10.142 -9.068 4.408 1.00 0.00 N ATOM 1569 CA GLN A 105 -9.280 -7.992 4.884 1.00 0.00 C ATOM 1570 C GLN A 105 -8.430 -7.412 3.750 1.00 0.00 C ATOM 1571 O GLN A 105 -7.314 -6.941 3.982 1.00 0.00 O ATOM 1572 CB GLN A 105 -8.372 -8.518 5.998 1.00 0.00 C ATOM 1573 CG GLN A 105 -9.128 -9.050 7.209 1.00 0.00 C ATOM 1574 CD GLN A 105 -8.228 -9.788 8.185 1.00 0.00 C ATOM 1575 OE1 GLN A 105 -6.965 -9.399 8.241 1.00 0.00 O flip ATOM 1576 NE2 GLN A 105 -8.666 -10.704 8.882 1.00 0.00 N flip ATOM 0 H GLN A 105 -9.672 -9.968 4.311 1.00 0.00 H new ATOM 0 HA GLN A 105 -9.914 -7.193 5.269 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -7.743 -9.313 5.596 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -7.707 -7.717 6.320 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -9.611 -8.220 7.724 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -9.919 -9.720 6.873 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -9.647 -10.975 8.810 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -8.048 -11.191 9.531 1.00 0.00 H new ATOM 1585 N VAL A 106 -8.972 -7.428 2.531 1.00 0.00 N ATOM 1586 CA VAL A 106 -8.257 -6.934 1.345 1.00 0.00 C ATOM 1587 C VAL A 106 -7.768 -5.496 1.511 1.00 0.00 C ATOM 1588 O VAL A 106 -6.802 -5.089 0.866 1.00 0.00 O ATOM 1589 CB VAL A 106 -9.133 -6.995 0.074 1.00 0.00 C ATOM 1590 CG1 VAL A 106 -9.247 -8.418 -0.451 1.00 0.00 C ATOM 1591 CG2 VAL A 106 -10.512 -6.409 0.347 1.00 0.00 C ATOM 0 H VAL A 106 -9.909 -7.779 2.335 1.00 0.00 H new ATOM 0 HA VAL A 106 -7.398 -7.596 1.237 1.00 0.00 H new ATOM 0 HB VAL A 106 -8.648 -6.395 -0.696 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -9.870 -8.427 -1.346 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -8.254 -8.796 -0.696 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -9.699 -9.052 0.312 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -11.115 -6.460 -0.559 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -10.999 -6.978 1.139 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -10.411 -5.369 0.657 1.00 0.00 H new ATOM 1601 N ARG A 107 -8.425 -4.742 2.385 1.00 0.00 N ATOM 1602 CA ARG A 107 -8.115 -3.328 2.573 1.00 0.00 C ATOM 1603 C ARG A 107 -6.699 -3.116 3.116 1.00 0.00 C ATOM 1604 O ARG A 107 -6.160 -2.018 3.035 1.00 0.00 O ATOM 1605 CB ARG A 107 -9.159 -2.679 3.487 1.00 0.00 C ATOM 1606 CG ARG A 107 -9.416 -3.443 4.777 1.00 0.00 C ATOM 1607 CD ARG A 107 -10.616 -2.878 5.523 1.00 0.00 C ATOM 1608 NE ARG A 107 -11.835 -2.924 4.711 1.00 0.00 N ATOM 1609 CZ ARG A 107 -12.774 -1.973 4.710 1.00 0.00 C ATOM 1610 NH1 ARG A 107 -12.655 -0.912 5.500 1.00 0.00 N ATOM 1611 NH2 ARG A 107 -13.837 -2.093 3.918 1.00 0.00 N ATOM 0 H ARG A 107 -9.180 -5.088 2.978 1.00 0.00 H new ATOM 0 HA ARG A 107 -8.152 -2.845 1.596 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -8.832 -1.669 3.734 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -10.097 -2.585 2.940 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -9.588 -4.495 4.551 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -8.533 -3.394 5.414 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -10.771 -3.443 6.442 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -10.411 -1.847 5.812 1.00 0.00 H new ATOM 0 HE ARG A 107 -11.976 -3.734 4.108 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -11.844 -0.820 6.112 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -13.375 -0.189 5.495 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -13.933 -2.909 3.314 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -14.555 -1.369 3.915 1.00 0.00 H new ATOM 1625 N GLU A 108 -6.101 -4.169 3.657 1.00 0.00 N ATOM 1626 CA GLU A 108 -4.707 -4.116 4.085 1.00 0.00 C ATOM 1627 C GLU A 108 -3.945 -5.329 3.572 1.00 0.00 C ATOM 1628 O GLU A 108 -2.840 -5.206 3.039 1.00 0.00 O ATOM 1629 CB GLU A 108 -4.592 -4.071 5.607 1.00 0.00 C ATOM 1630 CG GLU A 108 -5.025 -2.759 6.238 1.00 0.00 C ATOM 1631 CD GLU A 108 -4.775 -2.750 7.729 1.00 0.00 C ATOM 1632 OE1 GLU A 108 -5.623 -3.283 8.479 1.00 0.00 O ATOM 1633 OE2 GLU A 108 -3.717 -2.242 8.159 1.00 0.00 O ATOM 0 H GLU A 108 -6.557 -5.069 3.810 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.277 -3.204 3.670 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -5.194 -4.877 6.027 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -3.557 -4.268 5.885 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -4.484 -1.935 5.773 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -6.085 -2.594 6.045 1.00 0.00 H new ATOM 1640 N GLU A 109 -4.557 -6.495 3.733 1.00 0.00 N ATOM 1641 CA GLU A 109 -3.913 -7.765 3.431 1.00 0.00 C ATOM 1642 C GLU A 109 -3.520 -7.866 1.960 1.00 0.00 C ATOM 1643 O GLU A 109 -2.376 -8.176 1.640 1.00 0.00 O ATOM 1644 CB GLU A 109 -4.847 -8.914 3.814 1.00 0.00 C ATOM 1645 CG GLU A 109 -4.277 -10.294 3.548 1.00 0.00 C ATOM 1646 CD GLU A 109 -5.201 -11.393 4.020 1.00 0.00 C ATOM 1647 OE1 GLU A 109 -6.071 -11.824 3.235 1.00 0.00 O ATOM 1648 OE2 GLU A 109 -5.068 -11.824 5.182 1.00 0.00 O ATOM 0 H GLU A 109 -5.513 -6.586 4.076 1.00 0.00 H new ATOM 0 HA GLU A 109 -2.995 -7.829 4.015 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -5.090 -8.832 4.873 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -5.781 -8.807 3.263 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -4.093 -10.410 2.480 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -3.314 -10.391 4.050 1.00 0.00 H new ATOM 1655 N LEU A 110 -4.462 -7.568 1.077 1.00 0.00 N ATOM 1656 CA LEU A 110 -4.236 -7.701 -0.357 1.00 0.00 C ATOM 1657 C LEU A 110 -3.206 -6.693 -0.856 1.00 0.00 C ATOM 1658 O LEU A 110 -2.461 -6.968 -1.796 1.00 0.00 O ATOM 1659 CB LEU A 110 -5.547 -7.513 -1.120 1.00 0.00 C ATOM 1660 CG LEU A 110 -5.441 -7.654 -2.639 1.00 0.00 C ATOM 1661 CD1 LEU A 110 -5.138 -9.096 -3.024 1.00 0.00 C ATOM 1662 CD2 LEU A 110 -6.718 -7.169 -3.302 1.00 0.00 C ATOM 0 H LEU A 110 -5.392 -7.232 1.328 1.00 0.00 H new ATOM 0 HA LEU A 110 -3.849 -8.704 -0.537 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -6.270 -8.241 -0.753 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -5.945 -6.525 -0.890 1.00 0.00 H new ATOM 0 HG LEU A 110 -4.617 -7.034 -2.991 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -5.066 -9.176 -4.109 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -4.193 -9.402 -2.575 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -5.937 -9.744 -2.665 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -6.629 -7.275 -4.383 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -7.560 -7.763 -2.947 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -6.882 -6.121 -3.052 1.00 0.00 H new ATOM 1674 N LEU A 111 -3.161 -5.531 -0.213 1.00 0.00 N ATOM 1675 CA LEU A 111 -2.277 -4.455 -0.639 1.00 0.00 C ATOM 1676 C LEU A 111 -0.815 -4.865 -0.523 1.00 0.00 C ATOM 1677 O LEU A 111 0.022 -4.444 -1.322 1.00 0.00 O ATOM 1678 CB LEU A 111 -2.537 -3.193 0.184 1.00 0.00 C ATOM 1679 CG LEU A 111 -3.957 -2.633 0.090 1.00 0.00 C ATOM 1680 CD1 LEU A 111 -4.060 -1.324 0.854 1.00 0.00 C ATOM 1681 CD2 LEU A 111 -4.366 -2.441 -1.363 1.00 0.00 C ATOM 0 H LEU A 111 -3.728 -5.311 0.606 1.00 0.00 H new ATOM 0 HA LEU A 111 -2.488 -4.244 -1.687 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -2.318 -3.409 1.230 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -1.837 -2.420 -0.135 1.00 0.00 H new ATOM 0 HG LEU A 111 -4.641 -3.352 0.541 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -5.076 -0.937 0.778 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -3.814 -1.494 1.902 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -3.364 -0.600 0.431 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -5.379 -2.042 -1.406 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -3.681 -1.744 -1.845 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -4.331 -3.400 -1.880 1.00 0.00 H new ATOM 1693 N ARG A 112 -0.508 -5.689 0.468 1.00 0.00 N ATOM 1694 CA ARG A 112 0.841 -6.202 0.634 1.00 0.00 C ATOM 1695 C ARG A 112 0.850 -7.721 0.628 1.00 0.00 C ATOM 1696 O ARG A 112 1.424 -8.374 1.499 1.00 0.00 O ATOM 1697 CB ARG A 112 1.502 -5.640 1.896 1.00 0.00 C ATOM 1698 CG ARG A 112 0.575 -5.420 3.089 1.00 0.00 C ATOM 1699 CD ARG A 112 0.161 -6.717 3.766 1.00 0.00 C ATOM 1700 NE ARG A 112 -0.567 -6.467 5.008 1.00 0.00 N ATOM 1701 CZ ARG A 112 -1.257 -7.393 5.678 1.00 0.00 C ATOM 1702 NH1 ARG A 112 -1.334 -8.636 5.224 1.00 0.00 N ATOM 1703 NH2 ARG A 112 -1.873 -7.075 6.809 1.00 0.00 N ATOM 0 H ARG A 112 -1.175 -6.015 1.168 1.00 0.00 H new ATOM 0 HA ARG A 112 1.433 -5.865 -0.217 1.00 0.00 H new ATOM 0 HB2 ARG A 112 2.299 -6.319 2.199 1.00 0.00 H new ATOM 0 HB3 ARG A 112 1.972 -4.689 1.645 1.00 0.00 H new ATOM 0 HG2 ARG A 112 1.074 -4.780 3.817 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -0.317 -4.889 2.756 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -0.464 -7.299 3.088 1.00 0.00 H new ATOM 0 HD3 ARG A 112 1.046 -7.317 3.977 1.00 0.00 H new ATOM 0 HE ARG A 112 -0.547 -5.521 5.389 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -0.864 -8.892 4.356 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -1.864 -9.337 5.743 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -1.820 -6.122 7.168 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -2.400 -7.784 7.320 1.00 0.00 H new ATOM 1717 N ALA A 113 0.217 -8.268 -0.385 1.00 0.00 N ATOM 1718 CA ALA A 113 0.113 -9.705 -0.544 1.00 0.00 C ATOM 1719 C ALA A 113 0.873 -10.160 -1.780 1.00 0.00 C ATOM 1720 O ALA A 113 0.657 -9.644 -2.879 1.00 0.00 O ATOM 1721 CB ALA A 113 -1.345 -10.113 -0.638 1.00 0.00 C ATOM 0 H ALA A 113 -0.241 -7.732 -1.122 1.00 0.00 H new ATOM 0 HA ALA A 113 0.557 -10.187 0.327 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -1.413 -11.194 -0.757 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -1.866 -9.815 0.272 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -1.805 -9.624 -1.496 1.00 0.00 H new ATOM 1727 N GLN A 114 1.773 -11.109 -1.594 1.00 0.00 N ATOM 1728 CA GLN A 114 2.553 -11.656 -2.690 1.00 0.00 C ATOM 1729 C GLN A 114 2.648 -13.168 -2.535 1.00 0.00 C ATOM 1730 O GLN A 114 2.300 -13.700 -1.475 1.00 0.00 O ATOM 1731 CB GLN A 114 3.957 -11.028 -2.738 1.00 0.00 C ATOM 1732 CG GLN A 114 4.853 -11.380 -1.553 1.00 0.00 C ATOM 1733 CD GLN A 114 4.458 -10.691 -0.254 1.00 0.00 C ATOM 1734 OE1 GLN A 114 3.949 -9.472 -0.346 1.00 0.00 O flip ATOM 1735 NE2 GLN A 114 4.629 -11.246 0.828 1.00 0.00 N flip ATOM 0 H GLN A 114 1.983 -11.520 -0.685 1.00 0.00 H new ATOM 0 HA GLN A 114 2.055 -11.419 -3.630 1.00 0.00 H new ATOM 0 HB2 GLN A 114 4.451 -11.345 -3.657 1.00 0.00 H new ATOM 0 HB3 GLN A 114 3.854 -9.944 -2.789 1.00 0.00 H new ATOM 0 HG2 GLN A 114 4.831 -12.459 -1.402 1.00 0.00 H new ATOM 0 HG3 GLN A 114 5.882 -11.113 -1.796 1.00 0.00 H new ATOM 0 HE21 GLN A 114 5.024 -12.186 0.862 1.00 0.00 H new ATOM 0 HE22 GLN A 114 4.376 -10.767 1.692 1.00 0.00 H new ATOM 1744 N GLU A 115 3.105 -13.847 -3.588 1.00 0.00 N ATOM 1745 CA GLU A 115 3.234 -15.305 -3.579 1.00 0.00 C ATOM 1746 C GLU A 115 1.890 -15.969 -3.316 1.00 0.00 C ATOM 1747 O GLU A 115 1.771 -16.867 -2.480 1.00 0.00 O ATOM 1748 CB GLU A 115 4.247 -15.759 -2.535 1.00 0.00 C ATOM 1749 CG GLU A 115 5.664 -15.269 -2.788 1.00 0.00 C ATOM 1750 CD GLU A 115 6.651 -15.794 -1.766 1.00 0.00 C ATOM 1751 OE1 GLU A 115 7.164 -16.917 -1.952 1.00 0.00 O ATOM 1752 OE2 GLU A 115 6.911 -15.092 -0.765 1.00 0.00 O ATOM 0 H GLU A 115 3.393 -13.408 -4.462 1.00 0.00 H new ATOM 0 HA GLU A 115 3.588 -15.608 -4.564 1.00 0.00 H new ATOM 0 HB2 GLU A 115 3.923 -15.410 -1.555 1.00 0.00 H new ATOM 0 HB3 GLU A 115 4.252 -16.848 -2.499 1.00 0.00 H new ATOM 0 HG2 GLU A 115 5.979 -15.578 -3.785 1.00 0.00 H new ATOM 0 HG3 GLU A 115 5.676 -14.179 -2.773 1.00 0.00 H new ATOM 1759 N ALA A 116 0.884 -15.508 -4.026 1.00 0.00 N ATOM 1760 CA ALA A 116 -0.460 -16.051 -3.904 1.00 0.00 C ATOM 1761 C ALA A 116 -0.864 -16.764 -5.193 1.00 0.00 C ATOM 1762 O ALA A 116 -1.414 -16.147 -6.110 1.00 0.00 O ATOM 1763 CB ALA A 116 -1.450 -14.944 -3.569 1.00 0.00 C ATOM 0 H ALA A 116 0.969 -14.750 -4.703 1.00 0.00 H new ATOM 0 HA ALA A 116 -0.470 -16.778 -3.092 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -2.451 -15.366 -3.481 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -1.168 -14.477 -2.625 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -1.440 -14.195 -4.361 1.00 0.00 H new ATOM 1769 N PRO A 117 -0.582 -18.072 -5.285 1.00 0.00 N ATOM 1770 CA PRO A 117 -0.849 -18.862 -6.481 1.00 0.00 C ATOM 1771 C PRO A 117 -2.249 -19.473 -6.488 1.00 0.00 C ATOM 1772 O PRO A 117 -2.873 -19.658 -5.438 1.00 0.00 O ATOM 1773 CB PRO A 117 0.212 -19.954 -6.387 1.00 0.00 C ATOM 1774 CG PRO A 117 0.383 -20.187 -4.922 1.00 0.00 C ATOM 1775 CD PRO A 117 0.032 -18.892 -4.226 1.00 0.00 C ATOM 0 HA PRO A 117 -0.810 -18.266 -7.393 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -0.107 -20.862 -6.898 1.00 0.00 H new ATOM 0 HB3 PRO A 117 1.147 -19.639 -6.850 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -0.264 -20.996 -4.582 1.00 0.00 H new ATOM 0 HG3 PRO A 117 1.408 -20.482 -4.695 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -0.658 -19.058 -3.399 1.00 0.00 H new ATOM 0 HD3 PRO A 117 0.917 -18.410 -3.811 1.00 0.00 H new ATOM 1783 N GLY A 118 -2.735 -19.790 -7.676 1.00 0.00 N ATOM 1784 CA GLY A 118 -4.037 -20.402 -7.813 1.00 0.00 C ATOM 1785 C GLY A 118 -3.927 -21.841 -8.264 1.00 0.00 C ATOM 1786 O GLY A 118 -2.937 -22.227 -8.887 1.00 0.00 O ATOM 0 H GLY A 118 -2.245 -19.632 -8.556 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -4.563 -20.357 -6.860 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -4.631 -19.838 -8.532 1.00 0.00 H new ATOM 1790 N GLN A 119 -4.930 -22.641 -7.945 1.00 0.00 N ATOM 1791 CA GLN A 119 -4.930 -24.047 -8.308 1.00 0.00 C ATOM 1792 C GLN A 119 -5.757 -24.276 -9.575 1.00 0.00 C ATOM 1793 O GLN A 119 -6.792 -24.945 -9.556 1.00 0.00 O ATOM 1794 CB GLN A 119 -5.440 -24.912 -7.139 1.00 0.00 C ATOM 1795 CG GLN A 119 -6.859 -24.602 -6.656 1.00 0.00 C ATOM 1796 CD GLN A 119 -6.973 -23.291 -5.897 1.00 0.00 C ATOM 1797 OE1 GLN A 119 -7.224 -22.238 -6.483 1.00 0.00 O ATOM 1798 NE2 GLN A 119 -6.796 -23.349 -4.588 1.00 0.00 N ATOM 0 H GLN A 119 -5.759 -22.338 -7.433 1.00 0.00 H new ATOM 0 HA GLN A 119 -3.905 -24.350 -8.520 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -5.399 -25.959 -7.440 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -4.756 -24.795 -6.299 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -7.528 -24.573 -7.516 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -7.200 -25.414 -6.014 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -6.589 -24.242 -4.140 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -6.866 -22.501 -4.026 1.00 0.00 H new ATOM 1807 N ALA A 120 -5.290 -23.707 -10.678 1.00 0.00 N ATOM 1808 CA ALA A 120 -5.995 -23.799 -11.949 1.00 0.00 C ATOM 1809 C ALA A 120 -5.490 -24.981 -12.766 1.00 0.00 C ATOM 1810 O ALA A 120 -4.602 -24.786 -13.619 1.00 0.00 O ATOM 1811 CB ALA A 120 -5.836 -22.506 -12.733 1.00 0.00 C ATOM 1812 OXT ALA A 120 -5.974 -26.109 -12.540 1.00 0.00 O ATOM 0 H ALA A 120 -4.421 -23.174 -10.718 1.00 0.00 H new ATOM 0 HA ALA A 120 -7.054 -23.957 -11.743 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -6.368 -22.588 -13.681 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -6.248 -21.678 -12.156 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -4.778 -22.324 -12.925 1.00 0.00 H new TER 1818 ALA A 120 ATOM 1819 N GLN B 1 -18.459 22.660 1.151 1.00 0.00 N ATOM 1820 CA GLN B 1 -17.563 21.987 2.123 1.00 0.00 C ATOM 1821 C GLN B 1 -16.711 20.925 1.430 1.00 0.00 C ATOM 1822 O GLN B 1 -16.169 20.023 2.075 1.00 0.00 O ATOM 1823 CB GLN B 1 -18.371 21.350 3.270 1.00 0.00 C ATOM 1824 CG GLN B 1 -19.204 20.135 2.870 1.00 0.00 C ATOM 1825 CD GLN B 1 -20.346 20.470 1.933 1.00 0.00 C ATOM 1826 OE1 GLN B 1 -20.896 21.568 1.974 1.00 0.00 O ATOM 1827 NE2 GLN B 1 -20.704 19.530 1.078 1.00 0.00 N ATOM 0 H1 GLN B 1 -19.400 22.785 1.575 1.00 0.00 H new ATOM 0 H2 GLN B 1 -18.065 23.590 0.902 1.00 0.00 H new ATOM 0 H3 GLN B 1 -18.541 22.078 0.293 1.00 0.00 H new ATOM 0 HA GLN B 1 -16.903 22.745 2.545 1.00 0.00 H new ATOM 0 HB2 GLN B 1 -17.681 21.055 4.061 1.00 0.00 H new ATOM 0 HB3 GLN B 1 -19.035 22.105 3.691 1.00 0.00 H new ATOM 0 HG2 GLN B 1 -18.555 19.401 2.392 1.00 0.00 H new ATOM 0 HG3 GLN B 1 -19.607 19.668 3.769 1.00 0.00 H new ATOM 0 HE21 GLN B 1 -20.221 18.631 1.076 1.00 0.00 H new ATOM 0 HE22 GLN B 1 -21.463 19.702 0.419 1.00 0.00 H new ATOM 1838 N ASP B 2 -16.575 21.040 0.116 1.00 0.00 N ATOM 1839 CA ASP B 2 -15.817 20.065 -0.656 1.00 0.00 C ATOM 1840 C ASP B 2 -14.366 20.506 -0.759 1.00 0.00 C ATOM 1841 O ASP B 2 -13.916 20.980 -1.808 1.00 0.00 O ATOM 1842 CB ASP B 2 -16.424 19.889 -2.050 1.00 0.00 C ATOM 1843 CG ASP B 2 -17.884 19.482 -1.998 1.00 0.00 C ATOM 1844 OD1 ASP B 2 -18.175 18.336 -1.605 1.00 0.00 O ATOM 1845 OD2 ASP B 2 -18.747 20.314 -2.349 1.00 0.00 O ATOM 0 H ASP B 2 -16.978 21.797 -0.436 1.00 0.00 H new ATOM 0 HA ASP B 2 -15.860 19.103 -0.145 1.00 0.00 H new ATOM 0 HB2 ASP B 2 -16.329 20.822 -2.605 1.00 0.00 H new ATOM 0 HB3 ASP B 2 -15.859 19.134 -2.597 1.00 0.00 H new ATOM 1850 N THR B 3 -13.653 20.348 0.347 1.00 0.00 N ATOM 1851 CA THR B 3 -12.272 20.792 0.475 1.00 0.00 C ATOM 1852 C THR B 3 -11.382 20.211 -0.625 1.00 0.00 C ATOM 1853 O THR B 3 -11.259 18.991 -0.760 1.00 0.00 O ATOM 1854 CB THR B 3 -11.708 20.379 1.845 1.00 0.00 C ATOM 1855 OG1 THR B 3 -12.606 20.797 2.886 1.00 0.00 O ATOM 1856 CG2 THR B 3 -10.334 20.988 2.084 1.00 0.00 C ATOM 0 H THR B 3 -14.020 19.904 1.189 1.00 0.00 H new ATOM 0 HA THR B 3 -12.272 21.878 0.380 1.00 0.00 H new ATOM 0 HB THR B 3 -11.608 19.294 1.855 1.00 0.00 H new ATOM 0 HG1 THR B 3 -12.943 20.010 3.363 1.00 0.00 H new ATOM 0 HG21 THR B 3 -9.963 20.677 3.061 1.00 0.00 H new ATOM 0 HG22 THR B 3 -9.646 20.649 1.310 1.00 0.00 H new ATOM 0 HG23 THR B 3 -10.407 22.075 2.053 1.00 0.00 H new ATOM 1864 N ARG B 4 -10.770 21.087 -1.409 1.00 0.00 N ATOM 1865 CA ARG B 4 -9.860 20.658 -2.458 1.00 0.00 C ATOM 1866 C ARG B 4 -8.508 20.290 -1.868 1.00 0.00 C ATOM 1867 O ARG B 4 -7.938 21.046 -1.078 1.00 0.00 O ATOM 1868 CB ARG B 4 -9.674 21.760 -3.502 1.00 0.00 C ATOM 1869 CG ARG B 4 -8.831 21.334 -4.691 1.00 0.00 C ATOM 1870 CD ARG B 4 -8.470 22.514 -5.578 1.00 0.00 C ATOM 1871 NE ARG B 4 -7.697 22.098 -6.743 1.00 0.00 N ATOM 1872 CZ ARG B 4 -6.380 21.894 -6.735 1.00 0.00 C ATOM 1873 NH1 ARG B 4 -5.685 22.049 -5.613 1.00 0.00 N ATOM 1874 NH2 ARG B 4 -5.762 21.538 -7.852 1.00 0.00 N ATOM 0 H ARG B 4 -10.888 22.098 -1.338 1.00 0.00 H new ATOM 0 HA ARG B 4 -10.295 19.783 -2.941 1.00 0.00 H new ATOM 0 HB2 ARG B 4 -10.653 22.081 -3.858 1.00 0.00 H new ATOM 0 HB3 ARG B 4 -9.208 22.624 -3.028 1.00 0.00 H new ATOM 0 HG2 ARG B 4 -7.919 20.853 -4.337 1.00 0.00 H new ATOM 0 HG3 ARG B 4 -9.376 20.593 -5.276 1.00 0.00 H new ATOM 0 HD2 ARG B 4 -9.381 23.015 -5.906 1.00 0.00 H new ATOM 0 HD3 ARG B 4 -7.897 23.240 -5.002 1.00 0.00 H new ATOM 0 HE ARG B 4 -8.197 21.954 -7.620 1.00 0.00 H new ATOM 0 HH11 ARG B 4 -6.159 22.325 -4.753 1.00 0.00 H new ATOM 0 HH12 ARG B 4 -4.677 21.892 -5.612 1.00 0.00 H new ATOM 0 HH21 ARG B 4 -6.294 21.421 -8.714 1.00 0.00 H new ATOM 0 HH22 ARG B 4 -4.754 21.381 -7.849 1.00 0.00 H new ATOM 1888 N LEU B 5 -8.004 19.133 -2.246 1.00 0.00 N ATOM 1889 CA LEU B 5 -6.697 18.691 -1.810 1.00 0.00 C ATOM 1890 C LEU B 5 -5.639 19.078 -2.830 1.00 0.00 C ATOM 1891 O LEU B 5 -5.582 18.431 -3.894 1.00 0.00 O ATOM 1892 CB LEU B 5 -6.700 17.182 -1.573 1.00 0.00 C ATOM 1893 CG LEU B 5 -7.288 16.753 -0.230 1.00 0.00 C ATOM 1894 CD1 LEU B 5 -7.386 15.246 -0.146 1.00 0.00 C ATOM 1895 CD2 LEU B 5 -6.438 17.289 0.912 1.00 0.00 C ATOM 1896 OXT LEU B 5 -4.873 20.027 -2.557 1.00 0.00 O ATOM 0 H LEU B 5 -8.486 18.477 -2.860 1.00 0.00 H new ATOM 0 HA LEU B 5 -6.456 19.184 -0.868 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -7.265 16.703 -2.372 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -5.676 16.814 -1.641 1.00 0.00 H new ATOM 0 HG LEU B 5 -8.292 17.168 -0.147 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -7.807 14.962 0.818 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -8.029 14.878 -0.945 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -6.392 14.810 -0.250 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -6.868 16.976 1.864 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -5.424 16.898 0.826 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -6.412 18.378 0.866 1.00 0.00 H new TER 1908 LEU B 5