USER MOD reduce.3.24.130724 H: found=0, std=0, add=880, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 876 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 Single : A 1 GLY N :NH3+ -102:sc= 0.0761 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -145:sc= -0.794 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -135:sc= -2.54! (180deg=-6.32!) USER MOD Single : A 15 CYS SG : rot -109:sc= -3.34! USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -136:sc= -1.08 (180deg=-4.94!) USER MOD Single : A 20 THR OG1 : rot 74:sc= 0.263 USER MOD Single : A 22 MET CE :methyl -136:sc= -0.872 (180deg=-1.24) USER MOD Single : A 24 THR OG1 : rot 0:sc= 1.03 USER MOD Single : A 25 HIS : no HD1:sc= -0.72 K(o=-0.72,f=-2.7) USER MOD Single : A 36 ASN : amide:sc= -0.0446 X(o=-0.045,f=-0.045) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -164:sc= -0.288 (180deg=-0.537) USER MOD Single : A 51 MET CE :methyl 162:sc= -0.631 (180deg=-1.44) USER MOD Single : A 54 SER OG : rot -106:sc= 1.11 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -116:sc= 0.0273 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -36:sc= 0.114 USER MOD Single : A 64 GLN : amide:sc= -1.29 K(o=-1.3,f=-4.5!) USER MOD Single : A 65 TYR OH : rot 15:sc= -0.0313 USER MOD Single : A 67 ASN :FLIP amide:sc= -1.1! C(o=-2.3!,f=-1.1!) USER MOD Single : A 70 THR OG1 : rot -53:sc= -0.186 USER MOD Single : A 81 ASN : amide:sc= -2.8 K(o=-2.8,f=-16!) USER MOD Single : A 82 CYS SG : rot 161:sc= 1.44 USER MOD Single : A 84 THR OG1 : rot 87:sc= 0.479 USER MOD Single : A 86 ASN : amide:sc= -2.47! X(o=-2.5!,f=-2.3) USER MOD Single : A 90 SER OG : rot -74:sc= 1.04 USER MOD Single : A 97 HIS : no HD1:sc= -0.0733 X(o=-0.073,f=-0.25) USER MOD Single : A 98 ASN : amide:sc= 0.0811 K(o=0.081,f=-2.2!) USER MOD Single : A 99 MET CE :methyl -158:sc= -0.658 (180deg=-1.2) USER MOD Single : A 101 LYS NZ :NH3+ 177:sc= 0.235 (180deg=0.224) USER MOD Single : A 102 TYR OH : rot 30:sc= -0.143 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot -28:sc= 0.0199 USER MOD Single : A 110 THR OG1 : rot 63:sc= 0.0251 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.907 27.160 -6.293 1.00 0.00 N ATOM 2 CA GLY A 1 -9.943 27.508 -5.266 1.00 0.00 C ATOM 3 C GLY A 1 -8.595 26.853 -5.489 1.00 0.00 C ATOM 4 O GLY A 1 -8.462 25.963 -6.329 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.997 27.948 -6.966 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.585 26.309 -6.797 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.831 26.974 -5.853 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.818 28.591 -5.242 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.331 27.210 -4.292 1.00 0.00 H new ATOM 8 N SER A 2 -7.592 27.294 -4.737 1.00 0.00 N ATOM 9 CA SER A 2 -6.245 26.748 -4.862 1.00 0.00 C ATOM 10 C SER A 2 -5.890 25.897 -3.646 1.00 0.00 C ATOM 11 O SER A 2 -5.859 26.388 -2.518 1.00 0.00 O ATOM 12 CB SER A 2 -5.227 27.878 -5.022 1.00 0.00 C ATOM 13 OG SER A 2 -5.281 28.431 -6.326 1.00 0.00 O ATOM 0 H SER A 2 -7.686 28.028 -4.035 1.00 0.00 H new ATOM 0 HA SER A 2 -6.216 26.115 -5.749 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.424 28.656 -4.285 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.224 27.499 -4.825 1.00 0.00 H new ATOM 0 HG SER A 2 -4.622 29.152 -6.403 1.00 0.00 H new ATOM 19 N SER A 3 -5.623 24.617 -3.886 1.00 0.00 N ATOM 20 CA SER A 3 -5.274 23.695 -2.812 1.00 0.00 C ATOM 21 C SER A 3 -3.817 23.874 -2.394 1.00 0.00 C ATOM 22 O SER A 3 -2.998 24.380 -3.160 1.00 0.00 O ATOM 23 CB SER A 3 -5.516 22.250 -3.252 1.00 0.00 C ATOM 24 OG SER A 3 -4.755 21.934 -4.405 1.00 0.00 O ATOM 0 H SER A 3 -5.642 24.195 -4.815 1.00 0.00 H new ATOM 0 HA SER A 3 -5.910 23.918 -1.955 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.253 21.571 -2.441 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.576 22.102 -3.460 1.00 0.00 H new ATOM 0 HG SER A 3 -4.926 21.005 -4.665 1.00 0.00 H new ATOM 30 N GLY A 4 -3.502 23.454 -1.173 1.00 0.00 N ATOM 31 CA GLY A 4 -2.145 23.576 -0.674 1.00 0.00 C ATOM 32 C GLY A 4 -2.078 24.314 0.649 1.00 0.00 C ATOM 33 O GLY A 4 -3.049 24.337 1.405 1.00 0.00 O ATOM 0 H GLY A 4 -4.162 23.031 -0.520 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.714 22.582 -0.554 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.536 24.100 -1.410 1.00 0.00 H new ATOM 37 N SER A 5 -0.928 24.919 0.929 1.00 0.00 N ATOM 38 CA SER A 5 -0.736 25.657 2.172 1.00 0.00 C ATOM 39 C SER A 5 -0.962 24.754 3.381 1.00 0.00 C ATOM 40 O SER A 5 -1.602 25.151 4.355 1.00 0.00 O ATOM 41 CB SER A 5 -1.686 26.855 2.231 1.00 0.00 C ATOM 42 OG SER A 5 -1.208 27.924 1.433 1.00 0.00 O ATOM 0 H SER A 5 -0.116 24.913 0.312 1.00 0.00 H new ATOM 0 HA SER A 5 0.293 26.017 2.197 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.676 26.555 1.888 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.794 27.187 3.263 1.00 0.00 H new ATOM 0 HG SER A 5 -1.833 28.677 1.486 1.00 0.00 H new ATOM 48 N SER A 6 -0.434 23.537 3.310 1.00 0.00 N ATOM 49 CA SER A 6 -0.581 22.575 4.396 1.00 0.00 C ATOM 50 C SER A 6 0.424 22.854 5.509 1.00 0.00 C ATOM 51 O SER A 6 1.517 22.289 5.531 1.00 0.00 O ATOM 52 CB SER A 6 -0.395 21.150 3.871 1.00 0.00 C ATOM 53 OG SER A 6 -0.565 20.198 4.908 1.00 0.00 O ATOM 0 H SER A 6 0.100 23.193 2.512 1.00 0.00 H new ATOM 0 HA SER A 6 -1.586 22.676 4.805 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.113 20.956 3.074 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.599 21.046 3.437 1.00 0.00 H new ATOM 0 HG SER A 6 0.046 19.445 4.764 1.00 0.00 H new ATOM 59 N GLY A 7 0.045 23.732 6.433 1.00 0.00 N ATOM 60 CA GLY A 7 0.923 24.072 7.537 1.00 0.00 C ATOM 61 C GLY A 7 0.907 23.026 8.635 1.00 0.00 C ATOM 62 O GLY A 7 1.805 22.189 8.717 1.00 0.00 O ATOM 0 H GLY A 7 -0.854 24.214 6.436 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.941 24.188 7.165 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.624 25.034 7.952 1.00 0.00 H new ATOM 66 N ASP A 8 -0.116 23.075 9.481 1.00 0.00 N ATOM 67 CA ASP A 8 -0.245 22.125 10.580 1.00 0.00 C ATOM 68 C ASP A 8 -0.212 20.690 10.064 1.00 0.00 C ATOM 69 O ASP A 8 -0.117 20.455 8.859 1.00 0.00 O ATOM 70 CB ASP A 8 -1.544 22.375 11.348 1.00 0.00 C ATOM 71 CG ASP A 8 -2.685 22.787 10.437 1.00 0.00 C ATOM 72 OD1 ASP A 8 -3.050 21.991 9.546 1.00 0.00 O ATOM 73 OD2 ASP A 8 -3.213 23.904 10.617 1.00 0.00 O ATOM 0 H ASP A 8 -0.868 23.762 9.427 1.00 0.00 H new ATOM 0 HA ASP A 8 0.600 22.269 11.254 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -1.823 21.471 11.889 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -1.378 23.153 12.093 1.00 0.00 H new ATOM 78 N SER A 9 -0.290 19.734 10.984 1.00 0.00 N ATOM 79 CA SER A 9 -0.264 18.322 10.623 1.00 0.00 C ATOM 80 C SER A 9 -1.670 17.811 10.324 1.00 0.00 C ATOM 81 O SER A 9 -2.019 16.681 10.664 1.00 0.00 O ATOM 82 CB SER A 9 0.361 17.497 11.749 1.00 0.00 C ATOM 83 OG SER A 9 1.752 17.746 11.853 1.00 0.00 O ATOM 0 H SER A 9 -0.372 19.912 11.985 1.00 0.00 H new ATOM 0 HA SER A 9 0.342 18.214 9.723 1.00 0.00 H new ATOM 0 HB2 SER A 9 -0.126 17.738 12.694 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.191 16.436 11.564 1.00 0.00 H new ATOM 0 HG SER A 9 2.127 17.208 12.581 1.00 0.00 H new ATOM 89 N LYS A 10 -2.475 18.654 9.684 1.00 0.00 N ATOM 90 CA LYS A 10 -3.843 18.290 9.336 1.00 0.00 C ATOM 91 C LYS A 10 -3.870 17.372 8.119 1.00 0.00 C ATOM 92 O LYS A 10 -4.283 16.216 8.211 1.00 0.00 O ATOM 93 CB LYS A 10 -4.672 19.547 9.058 1.00 0.00 C ATOM 94 CG LYS A 10 -6.133 19.259 8.760 1.00 0.00 C ATOM 95 CD LYS A 10 -6.353 18.961 7.286 1.00 0.00 C ATOM 96 CE LYS A 10 -7.787 19.246 6.868 1.00 0.00 C ATOM 97 NZ LYS A 10 -8.678 18.077 7.109 1.00 0.00 N ATOM 0 H LYS A 10 -2.203 19.594 9.396 1.00 0.00 H new ATOM 0 HA LYS A 10 -4.276 17.755 10.182 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.610 20.211 9.920 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.236 20.080 8.213 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.467 18.411 9.357 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.741 20.115 9.054 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.671 19.564 6.686 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.115 17.916 7.085 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.162 20.108 7.420 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.812 19.509 5.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -9.285 17.926 6.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.100 17.228 7.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.272 18.259 7.943 1.00 0.00 H new ATOM 111 N ASP A 11 -3.426 17.892 6.981 1.00 0.00 N ATOM 112 CA ASP A 11 -3.396 17.118 5.745 1.00 0.00 C ATOM 113 C ASP A 11 -2.907 15.697 6.007 1.00 0.00 C ATOM 114 O ASP A 11 -3.528 14.725 5.573 1.00 0.00 O ATOM 115 CB ASP A 11 -2.496 17.798 4.713 1.00 0.00 C ATOM 116 CG ASP A 11 -3.116 19.061 4.147 1.00 0.00 C ATOM 117 OD1 ASP A 11 -3.719 19.828 4.927 1.00 0.00 O ATOM 118 OD2 ASP A 11 -2.998 19.282 2.924 1.00 0.00 O ATOM 0 H ASP A 11 -3.081 18.847 6.888 1.00 0.00 H new ATOM 0 HA ASP A 11 -4.411 17.068 5.352 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.539 18.042 5.174 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -2.290 17.102 3.900 1.00 0.00 H new ATOM 123 N LEU A 12 -1.790 15.582 6.717 1.00 0.00 N ATOM 124 CA LEU A 12 -1.217 14.279 7.036 1.00 0.00 C ATOM 125 C LEU A 12 -2.186 13.446 7.867 1.00 0.00 C ATOM 126 O LEU A 12 -2.473 12.296 7.536 1.00 0.00 O ATOM 127 CB LEU A 12 0.102 14.452 7.792 1.00 0.00 C ATOM 128 CG LEU A 12 1.344 14.681 6.930 1.00 0.00 C ATOM 129 CD1 LEU A 12 2.544 15.019 7.801 1.00 0.00 C ATOM 130 CD2 LEU A 12 1.633 13.457 6.074 1.00 0.00 C ATOM 0 H LEU A 12 -1.263 16.375 7.083 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.027 13.754 6.100 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.002 15.295 8.476 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.267 13.564 8.403 1.00 0.00 H new ATOM 0 HG LEU A 12 1.152 15.525 6.268 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.418 15.179 7.170 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.337 15.925 8.370 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.738 14.196 8.488 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.520 13.638 5.467 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.804 12.595 6.718 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.782 13.260 5.422 1.00 0.00 H new ATOM 142 N ALA A 13 -2.690 14.035 8.947 1.00 0.00 N ATOM 143 CA ALA A 13 -3.631 13.348 9.823 1.00 0.00 C ATOM 144 C ALA A 13 -4.668 12.574 9.016 1.00 0.00 C ATOM 145 O ALA A 13 -5.081 11.481 9.404 1.00 0.00 O ATOM 146 CB ALA A 13 -4.315 14.344 10.748 1.00 0.00 C ATOM 0 H ALA A 13 -2.462 14.986 9.236 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.072 12.633 10.427 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.015 13.817 11.396 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.565 14.849 11.357 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.855 15.081 10.154 1.00 0.00 H new ATOM 152 N LEU A 14 -5.085 13.148 7.893 1.00 0.00 N ATOM 153 CA LEU A 14 -6.076 12.513 7.031 1.00 0.00 C ATOM 154 C LEU A 14 -5.489 11.285 6.342 1.00 0.00 C ATOM 155 O LEU A 14 -6.171 10.275 6.165 1.00 0.00 O ATOM 156 CB LEU A 14 -6.583 13.506 5.985 1.00 0.00 C ATOM 157 CG LEU A 14 -7.663 14.481 6.453 1.00 0.00 C ATOM 158 CD1 LEU A 14 -7.851 15.598 5.437 1.00 0.00 C ATOM 159 CD2 LEU A 14 -8.975 13.749 6.692 1.00 0.00 C ATOM 0 H LEU A 14 -4.752 14.052 7.558 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.912 12.194 7.653 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.734 14.084 5.620 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.973 12.943 5.137 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.341 14.925 7.395 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -8.624 16.282 5.787 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.914 16.141 5.315 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -8.150 15.172 4.479 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -9.732 14.459 7.025 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.302 13.277 5.766 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.832 12.986 7.457 1.00 0.00 H new ATOM 171 N CYS A 15 -4.222 11.379 5.956 1.00 0.00 N ATOM 172 CA CYS A 15 -3.542 10.275 5.287 1.00 0.00 C ATOM 173 C CYS A 15 -3.526 9.031 6.169 1.00 0.00 C ATOM 174 O CYS A 15 -3.634 7.908 5.678 1.00 0.00 O ATOM 175 CB CYS A 15 -2.112 10.675 4.922 1.00 0.00 C ATOM 176 SG CYS A 15 -2.005 12.036 3.736 1.00 0.00 S ATOM 0 H CYS A 15 -3.644 12.208 6.095 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.091 10.043 4.374 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -1.582 10.958 5.832 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -1.597 9.807 4.510 1.00 0.00 H new ATOM 0 HG CYS A 15 -1.593 11.581 2.590 1.00 0.00 H new ATOM 182 N SER A 16 -3.390 9.240 7.475 1.00 0.00 N ATOM 183 CA SER A 16 -3.354 8.135 8.426 1.00 0.00 C ATOM 184 C SER A 16 -4.661 7.348 8.393 1.00 0.00 C ATOM 185 O SER A 16 -4.658 6.118 8.440 1.00 0.00 O ATOM 186 CB SER A 16 -3.097 8.660 9.840 1.00 0.00 C ATOM 187 OG SER A 16 -3.233 7.626 10.800 1.00 0.00 O ATOM 0 H SER A 16 -3.303 10.164 7.898 1.00 0.00 H new ATOM 0 HA SER A 16 -2.541 7.468 8.140 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.095 9.084 9.897 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.797 9.464 10.066 1.00 0.00 H new ATOM 0 HG SER A 16 -3.062 7.986 11.695 1.00 0.00 H new ATOM 193 N MET A 17 -5.775 8.066 8.311 1.00 0.00 N ATOM 194 CA MET A 17 -7.090 7.436 8.271 1.00 0.00 C ATOM 195 C MET A 17 -7.225 6.540 7.043 1.00 0.00 C ATOM 196 O MET A 17 -7.295 5.316 7.161 1.00 0.00 O ATOM 197 CB MET A 17 -8.189 8.499 8.264 1.00 0.00 C ATOM 198 CG MET A 17 -7.954 9.622 9.261 1.00 0.00 C ATOM 199 SD MET A 17 -9.485 10.420 9.783 1.00 0.00 S ATOM 200 CE MET A 17 -10.157 10.929 8.203 1.00 0.00 C ATOM 0 H MET A 17 -5.794 9.085 8.271 1.00 0.00 H new ATOM 0 HA MET A 17 -7.198 6.820 9.163 1.00 0.00 H new ATOM 0 HB2 MET A 17 -8.267 8.923 7.263 1.00 0.00 H new ATOM 0 HB3 MET A 17 -9.145 8.023 8.484 1.00 0.00 H new ATOM 0 HG2 MET A 17 -7.440 9.224 10.136 1.00 0.00 H new ATOM 0 HG3 MET A 17 -7.295 10.367 8.815 1.00 0.00 H new ATOM 0 HE1 MET A 17 -10.535 11.948 8.280 1.00 0.00 H new ATOM 0 HE2 MET A 17 -9.375 10.889 7.445 1.00 0.00 H new ATOM 0 HE3 MET A 17 -10.970 10.260 7.921 1.00 0.00 H new ATOM 210 N ILE A 18 -7.262 7.157 5.867 1.00 0.00 N ATOM 211 CA ILE A 18 -7.389 6.415 4.619 1.00 0.00 C ATOM 212 C ILE A 18 -6.555 5.139 4.651 1.00 0.00 C ATOM 213 O ILE A 18 -7.060 4.047 4.386 1.00 0.00 O ATOM 214 CB ILE A 18 -6.956 7.267 3.411 1.00 0.00 C ATOM 215 CG1 ILE A 18 -7.856 8.497 3.278 1.00 0.00 C ATOM 216 CG2 ILE A 18 -6.992 6.437 2.137 1.00 0.00 C ATOM 217 CD1 ILE A 18 -7.165 9.686 2.648 1.00 0.00 C ATOM 0 H ILE A 18 -7.206 8.169 5.752 1.00 0.00 H new ATOM 0 HA ILE A 18 -8.442 6.156 4.512 1.00 0.00 H new ATOM 0 HB ILE A 18 -5.932 7.605 3.572 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -8.729 8.235 2.680 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -8.220 8.780 4.266 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.683 7.053 1.292 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -6.313 5.590 2.235 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -8.005 6.072 1.969 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -7.863 10.521 2.585 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.308 9.974 3.257 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -6.826 9.421 1.647 1.00 0.00 H new ATOM 229 N LEU A 19 -5.276 5.283 4.980 1.00 0.00 N ATOM 230 CA LEU A 19 -4.371 4.141 5.049 1.00 0.00 C ATOM 231 C LEU A 19 -4.978 3.015 5.881 1.00 0.00 C ATOM 232 O LEU A 19 -5.057 1.870 5.433 1.00 0.00 O ATOM 233 CB LEU A 19 -3.028 4.565 5.647 1.00 0.00 C ATOM 234 CG LEU A 19 -2.012 3.445 5.877 1.00 0.00 C ATOM 235 CD1 LEU A 19 -1.546 2.867 4.550 1.00 0.00 C ATOM 236 CD2 LEU A 19 -0.827 3.957 6.683 1.00 0.00 C ATOM 0 H LEU A 19 -4.842 6.179 5.203 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.211 3.774 4.035 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.578 5.307 4.988 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.217 5.058 6.600 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.497 2.652 6.446 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.824 2.072 4.733 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.401 2.463 4.009 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.078 3.652 3.955 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.114 3.147 6.837 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.342 4.769 6.141 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.175 4.323 7.649 1.00 0.00 H new ATOM 248 N THR A 20 -5.407 3.347 7.094 1.00 0.00 N ATOM 249 CA THR A 20 -6.008 2.365 7.987 1.00 0.00 C ATOM 250 C THR A 20 -7.106 1.578 7.281 1.00 0.00 C ATOM 251 O THR A 20 -6.999 0.364 7.111 1.00 0.00 O ATOM 252 CB THR A 20 -6.600 3.035 9.242 1.00 0.00 C ATOM 253 OG1 THR A 20 -5.553 3.615 10.028 1.00 0.00 O ATOM 254 CG2 THR A 20 -7.372 2.027 10.081 1.00 0.00 C ATOM 0 H THR A 20 -5.349 4.289 7.481 1.00 0.00 H new ATOM 0 HA THR A 20 -5.212 1.684 8.288 1.00 0.00 H new ATOM 0 HB THR A 20 -7.287 3.817 8.919 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.227 4.429 9.589 1.00 0.00 H new ATOM 0 HG21 THR A 20 -7.780 2.523 10.961 1.00 0.00 H new ATOM 0 HG22 THR A 20 -8.187 1.609 9.489 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.703 1.226 10.394 1.00 0.00 H new ATOM 262 N GLU A 21 -8.159 2.277 6.871 1.00 0.00 N ATOM 263 CA GLU A 21 -9.276 1.641 6.182 1.00 0.00 C ATOM 264 C GLU A 21 -8.776 0.659 5.126 1.00 0.00 C ATOM 265 O GLU A 21 -9.202 -0.495 5.085 1.00 0.00 O ATOM 266 CB GLU A 21 -10.170 2.697 5.530 1.00 0.00 C ATOM 267 CG GLU A 21 -10.738 3.706 6.514 1.00 0.00 C ATOM 268 CD GLU A 21 -11.379 3.047 7.720 1.00 0.00 C ATOM 269 OE1 GLU A 21 -12.313 2.241 7.529 1.00 0.00 O ATOM 270 OE2 GLU A 21 -10.946 3.337 8.855 1.00 0.00 O ATOM 0 H GLU A 21 -8.262 3.283 7.004 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.858 1.089 6.920 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.596 3.227 4.770 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.993 2.198 5.018 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.941 4.370 6.848 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.478 4.326 6.007 1.00 0.00 H new ATOM 277 N MET A 22 -7.871 1.128 4.273 1.00 0.00 N ATOM 278 CA MET A 22 -7.313 0.291 3.216 1.00 0.00 C ATOM 279 C MET A 22 -6.589 -0.916 3.804 1.00 0.00 C ATOM 280 O MET A 22 -6.670 -2.020 3.267 1.00 0.00 O ATOM 281 CB MET A 22 -6.351 1.104 2.348 1.00 0.00 C ATOM 282 CG MET A 22 -7.047 2.120 1.457 1.00 0.00 C ATOM 283 SD MET A 22 -6.054 2.582 0.024 1.00 0.00 S ATOM 284 CE MET A 22 -4.517 3.051 0.814 1.00 0.00 C ATOM 0 H MET A 22 -7.509 2.081 4.293 1.00 0.00 H new ATOM 0 HA MET A 22 -8.136 -0.067 2.597 1.00 0.00 H new ATOM 0 HB2 MET A 22 -5.643 1.624 2.994 1.00 0.00 H new ATOM 0 HB3 MET A 22 -5.773 0.422 1.725 1.00 0.00 H new ATOM 0 HG2 MET A 22 -7.998 1.709 1.118 1.00 0.00 H new ATOM 0 HG3 MET A 22 -7.275 3.013 2.039 1.00 0.00 H new ATOM 0 HE1 MET A 22 -4.146 3.974 0.369 1.00 0.00 H new ATOM 0 HE2 MET A 22 -4.688 3.205 1.879 1.00 0.00 H new ATOM 0 HE3 MET A 22 -3.780 2.260 0.675 1.00 0.00 H new ATOM 294 N GLU A 23 -5.883 -0.697 4.909 1.00 0.00 N ATOM 295 CA GLU A 23 -5.145 -1.769 5.568 1.00 0.00 C ATOM 296 C GLU A 23 -6.094 -2.848 6.080 1.00 0.00 C ATOM 297 O GLU A 23 -5.678 -3.970 6.372 1.00 0.00 O ATOM 298 CB GLU A 23 -4.317 -1.210 6.727 1.00 0.00 C ATOM 299 CG GLU A 23 -3.003 -0.584 6.290 1.00 0.00 C ATOM 300 CD GLU A 23 -1.931 -0.671 7.358 1.00 0.00 C ATOM 301 OE1 GLU A 23 -2.099 -0.037 8.421 1.00 0.00 O ATOM 302 OE2 GLU A 23 -0.924 -1.373 7.131 1.00 0.00 O ATOM 0 H GLU A 23 -5.806 0.212 5.366 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.474 -2.218 4.835 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.907 -0.462 7.257 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -4.110 -2.013 7.435 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.651 -1.081 5.386 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.171 0.462 6.034 1.00 0.00 H new ATOM 309 N THR A 24 -7.373 -2.501 6.188 1.00 0.00 N ATOM 310 CA THR A 24 -8.382 -3.437 6.667 1.00 0.00 C ATOM 311 C THR A 24 -9.219 -3.981 5.515 1.00 0.00 C ATOM 312 O THR A 24 -10.402 -4.279 5.680 1.00 0.00 O ATOM 313 CB THR A 24 -9.316 -2.778 7.699 1.00 0.00 C ATOM 314 OG1 THR A 24 -10.008 -1.676 7.100 1.00 0.00 O ATOM 315 CG2 THR A 24 -8.530 -2.293 8.908 1.00 0.00 C ATOM 0 H THR A 24 -7.734 -1.577 5.950 1.00 0.00 H new ATOM 0 HA THR A 24 -7.848 -4.259 7.144 1.00 0.00 H new ATOM 0 HB THR A 24 -10.039 -3.523 8.031 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.734 -1.588 6.163 1.00 0.00 H new ATOM 0 HG21 THR A 24 -9.211 -1.831 9.623 1.00 0.00 H new ATOM 0 HG22 THR A 24 -8.028 -3.138 9.379 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.787 -1.561 8.590 1.00 0.00 H new ATOM 323 N HIS A 25 -8.597 -4.108 4.347 1.00 0.00 N ATOM 324 CA HIS A 25 -9.286 -4.617 3.166 1.00 0.00 C ATOM 325 C HIS A 25 -8.947 -6.086 2.931 1.00 0.00 C ATOM 326 O HIS A 25 -7.881 -6.557 3.326 1.00 0.00 O ATOM 327 CB HIS A 25 -8.910 -3.792 1.935 1.00 0.00 C ATOM 328 CG HIS A 25 -10.002 -3.709 0.913 1.00 0.00 C ATOM 329 ND1 HIS A 25 -10.015 -4.468 -0.238 1.00 0.00 N ATOM 330 CD2 HIS A 25 -11.124 -2.952 0.875 1.00 0.00 C ATOM 331 CE1 HIS A 25 -11.096 -4.181 -0.941 1.00 0.00 C ATOM 332 NE2 HIS A 25 -11.786 -3.264 -0.287 1.00 0.00 N ATOM 0 H HIS A 25 -7.618 -3.866 4.193 1.00 0.00 H new ATOM 0 HA HIS A 25 -10.359 -4.532 3.337 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -8.642 -2.784 2.251 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -8.024 -4.227 1.473 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -11.439 -2.236 1.620 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -11.369 -4.621 -1.889 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -12.668 -2.854 -0.595 1.00 0.00 H new ATOM 340 N GLU A 26 -9.861 -6.803 2.285 1.00 0.00 N ATOM 341 CA GLU A 26 -9.659 -8.219 2.000 1.00 0.00 C ATOM 342 C GLU A 26 -8.685 -8.406 0.840 1.00 0.00 C ATOM 343 O GLU A 26 -8.320 -9.531 0.498 1.00 0.00 O ATOM 344 CB GLU A 26 -10.994 -8.892 1.674 1.00 0.00 C ATOM 345 CG GLU A 26 -11.702 -8.289 0.472 1.00 0.00 C ATOM 346 CD GLU A 26 -12.895 -9.111 0.025 1.00 0.00 C ATOM 347 OE1 GLU A 26 -13.699 -9.511 0.894 1.00 0.00 O ATOM 348 OE2 GLU A 26 -13.026 -9.355 -1.192 1.00 0.00 O ATOM 0 H GLU A 26 -10.748 -6.427 1.949 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.233 -8.686 2.888 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.821 -9.952 1.489 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.648 -8.822 2.543 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -12.033 -7.280 0.718 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.996 -8.201 -0.354 1.00 0.00 H new ATOM 355 N ASP A 27 -8.270 -7.297 0.239 1.00 0.00 N ATOM 356 CA ASP A 27 -7.339 -7.337 -0.883 1.00 0.00 C ATOM 357 C ASP A 27 -6.212 -6.327 -0.690 1.00 0.00 C ATOM 358 O ASP A 27 -5.612 -5.860 -1.657 1.00 0.00 O ATOM 359 CB ASP A 27 -8.074 -7.056 -2.194 1.00 0.00 C ATOM 360 CG ASP A 27 -8.598 -8.320 -2.847 1.00 0.00 C ATOM 361 OD1 ASP A 27 -8.030 -9.401 -2.586 1.00 0.00 O ATOM 362 OD2 ASP A 27 -9.575 -8.227 -3.618 1.00 0.00 O ATOM 0 H ASP A 27 -8.564 -6.358 0.510 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.904 -8.336 -0.927 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -8.906 -6.378 -2.003 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.400 -6.547 -2.883 1.00 0.00 H new ATOM 367 N ALA A 28 -5.931 -5.994 0.566 1.00 0.00 N ATOM 368 CA ALA A 28 -4.876 -5.041 0.886 1.00 0.00 C ATOM 369 C ALA A 28 -3.715 -5.725 1.598 1.00 0.00 C ATOM 370 O ALA A 28 -2.732 -5.081 1.963 1.00 0.00 O ATOM 371 CB ALA A 28 -5.429 -3.909 1.740 1.00 0.00 C ATOM 0 H ALA A 28 -6.420 -6.371 1.378 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.500 -4.626 -0.049 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.630 -3.204 1.972 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -6.220 -3.394 1.194 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.833 -4.316 2.667 1.00 0.00 H new ATOM 377 N TRP A 29 -3.836 -7.033 1.794 1.00 0.00 N ATOM 378 CA TRP A 29 -2.795 -7.805 2.464 1.00 0.00 C ATOM 379 C TRP A 29 -1.605 -8.033 1.538 1.00 0.00 C ATOM 380 O TRP A 29 -0.458 -8.137 1.972 1.00 0.00 O ATOM 381 CB TRP A 29 -3.353 -9.148 2.938 1.00 0.00 C ATOM 382 CG TRP A 29 -3.730 -10.065 1.813 1.00 0.00 C ATOM 383 CD1 TRP A 29 -4.992 -10.350 1.377 1.00 0.00 C ATOM 384 CD2 TRP A 29 -2.837 -10.817 0.985 1.00 0.00 C ATOM 385 NE1 TRP A 29 -4.938 -11.234 0.326 1.00 0.00 N ATOM 386 CE2 TRP A 29 -3.627 -11.536 0.066 1.00 0.00 C ATOM 387 CE3 TRP A 29 -1.447 -10.952 0.928 1.00 0.00 C ATOM 388 CZ2 TRP A 29 -3.072 -12.376 -0.895 1.00 0.00 C ATOM 389 CZ3 TRP A 29 -0.898 -11.787 -0.026 1.00 0.00 C ATOM 390 CH2 TRP A 29 -1.709 -12.490 -0.927 1.00 0.00 C ATOM 0 H TRP A 29 -4.644 -7.581 1.499 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.454 -7.235 3.329 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -2.610 -9.641 3.566 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -4.229 -8.970 3.561 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -5.899 -9.941 1.796 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -5.743 -11.605 -0.179 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -0.814 -10.413 1.617 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -3.695 -12.918 -1.591 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.175 -11.900 -0.078 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.249 -13.135 -1.661 1.00 0.00 H new ATOM 401 N PRO A 30 -1.880 -8.112 0.228 1.00 0.00 N ATOM 402 CA PRO A 30 -0.760 -8.331 -0.693 1.00 0.00 C ATOM 403 C PRO A 30 0.409 -7.391 -0.417 1.00 0.00 C ATOM 404 O PRO A 30 1.540 -7.656 -0.825 1.00 0.00 O ATOM 405 CB PRO A 30 -1.369 -8.037 -2.066 1.00 0.00 C ATOM 406 CG PRO A 30 -2.824 -8.313 -1.903 1.00 0.00 C ATOM 407 CD PRO A 30 -3.169 -8.014 -0.476 1.00 0.00 C ATOM 0 HA PRO A 30 -0.346 -9.335 -0.601 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -1.193 -7.003 -2.364 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.930 -8.670 -2.837 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.412 -7.694 -2.580 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -3.049 -9.352 -2.145 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -3.607 -7.022 -0.370 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.894 -8.726 -0.083 1.00 0.00 H new ATOM 415 N PHE A 31 0.129 -6.294 0.277 1.00 0.00 N ATOM 416 CA PHE A 31 1.158 -5.315 0.607 1.00 0.00 C ATOM 417 C PHE A 31 1.406 -5.272 2.112 1.00 0.00 C ATOM 418 O PHE A 31 2.530 -5.047 2.562 1.00 0.00 O ATOM 419 CB PHE A 31 0.752 -3.927 0.106 1.00 0.00 C ATOM 420 CG PHE A 31 -0.122 -3.963 -1.115 1.00 0.00 C ATOM 421 CD1 PHE A 31 -1.496 -4.104 -0.996 1.00 0.00 C ATOM 422 CD2 PHE A 31 0.429 -3.856 -2.381 1.00 0.00 C ATOM 423 CE1 PHE A 31 -2.302 -4.138 -2.118 1.00 0.00 C ATOM 424 CE2 PHE A 31 -0.372 -3.889 -3.507 1.00 0.00 C ATOM 425 CZ PHE A 31 -1.740 -4.029 -3.375 1.00 0.00 C ATOM 0 H PHE A 31 -0.802 -6.060 0.622 1.00 0.00 H new ATOM 0 HA PHE A 31 2.082 -5.616 0.113 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.227 -3.401 0.903 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.651 -3.353 -0.117 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.941 -4.188 -0.016 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.498 -3.745 -2.490 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -3.371 -4.250 -2.012 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.071 -3.805 -4.488 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.369 -4.053 -4.253 1.00 0.00 H new ATOM 435 N LEU A 32 0.348 -5.488 2.886 1.00 0.00 N ATOM 436 CA LEU A 32 0.448 -5.474 4.341 1.00 0.00 C ATOM 437 C LEU A 32 1.816 -5.971 4.797 1.00 0.00 C ATOM 438 O LEU A 32 2.410 -5.422 5.727 1.00 0.00 O ATOM 439 CB LEU A 32 -0.652 -6.340 4.957 1.00 0.00 C ATOM 440 CG LEU A 32 -2.027 -5.684 5.090 1.00 0.00 C ATOM 441 CD1 LEU A 32 -3.025 -6.654 5.702 1.00 0.00 C ATOM 442 CD2 LEU A 32 -1.933 -4.415 5.926 1.00 0.00 C ATOM 0 H LEU A 32 -0.589 -5.675 2.530 1.00 0.00 H new ATOM 0 HA LEU A 32 0.323 -4.445 4.679 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.758 -7.241 4.353 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.325 -6.657 5.947 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.378 -5.415 4.094 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.997 -6.169 5.789 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.114 -7.534 5.066 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.680 -6.955 6.691 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.920 -3.961 6.011 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.560 -4.661 6.920 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.251 -3.713 5.446 1.00 0.00 H new ATOM 454 N LEU A 33 2.313 -7.011 4.137 1.00 0.00 N ATOM 455 CA LEU A 33 3.613 -7.580 4.473 1.00 0.00 C ATOM 456 C LEU A 33 4.624 -7.325 3.359 1.00 0.00 C ATOM 457 O LEU A 33 4.274 -7.211 2.184 1.00 0.00 O ATOM 458 CB LEU A 33 3.484 -9.084 4.724 1.00 0.00 C ATOM 459 CG LEU A 33 2.944 -9.491 6.096 1.00 0.00 C ATOM 460 CD1 LEU A 33 2.653 -10.983 6.134 1.00 0.00 C ATOM 461 CD2 LEU A 33 3.929 -9.110 7.191 1.00 0.00 C ATOM 0 H LEU A 33 1.835 -7.477 3.366 1.00 0.00 H new ATOM 0 HA LEU A 33 3.970 -7.095 5.381 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.831 -9.505 3.959 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.465 -9.540 4.592 1.00 0.00 H new ATOM 0 HG LEU A 33 2.011 -8.955 6.271 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.270 -11.254 7.118 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.910 -11.228 5.375 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.570 -11.538 5.937 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.528 -9.407 8.160 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.878 -9.618 7.020 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.087 -8.032 7.179 1.00 0.00 H new ATOM 473 N PRO A 34 5.908 -7.234 3.734 1.00 0.00 N ATOM 474 CA PRO A 34 6.996 -6.994 2.782 1.00 0.00 C ATOM 475 C PRO A 34 7.245 -8.192 1.872 1.00 0.00 C ATOM 476 O PRO A 34 7.226 -9.339 2.319 1.00 0.00 O ATOM 477 CB PRO A 34 8.208 -6.747 3.683 1.00 0.00 C ATOM 478 CG PRO A 34 7.889 -7.458 4.952 1.00 0.00 C ATOM 479 CD PRO A 34 6.397 -7.360 5.117 1.00 0.00 C ATOM 0 HA PRO A 34 6.773 -6.167 2.108 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.122 -7.134 3.232 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.363 -5.682 3.854 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.209 -8.499 4.907 1.00 0.00 H new ATOM 0 HG3 PRO A 34 8.406 -7.001 5.796 1.00 0.00 H new ATOM 0 HD2 PRO A 34 5.988 -8.243 5.609 1.00 0.00 H new ATOM 0 HD3 PRO A 34 6.115 -6.499 5.723 1.00 0.00 H new ATOM 487 N VAL A 35 7.478 -7.919 0.592 1.00 0.00 N ATOM 488 CA VAL A 35 7.732 -8.975 -0.381 1.00 0.00 C ATOM 489 C VAL A 35 9.124 -9.569 -0.197 1.00 0.00 C ATOM 490 O VAL A 35 10.128 -8.928 -0.503 1.00 0.00 O ATOM 491 CB VAL A 35 7.594 -8.453 -1.824 1.00 0.00 C ATOM 492 CG1 VAL A 35 8.148 -9.468 -2.813 1.00 0.00 C ATOM 493 CG2 VAL A 35 6.142 -8.129 -2.137 1.00 0.00 C ATOM 0 H VAL A 35 7.496 -6.976 0.205 1.00 0.00 H new ATOM 0 HA VAL A 35 6.985 -9.750 -0.210 1.00 0.00 H new ATOM 0 HB VAL A 35 8.175 -7.535 -1.917 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.042 -9.083 -3.827 1.00 0.00 H new ATOM 0 HG12 VAL A 35 9.202 -9.645 -2.600 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.597 -10.404 -2.721 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.064 -7.762 -3.160 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.537 -9.029 -2.027 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.783 -7.364 -1.448 1.00 0.00 H new ATOM 503 N ASN A 36 9.175 -10.798 0.304 1.00 0.00 N ATOM 504 CA ASN A 36 10.445 -11.479 0.530 1.00 0.00 C ATOM 505 C ASN A 36 11.297 -11.474 -0.736 1.00 0.00 C ATOM 506 O ASN A 36 11.071 -12.265 -1.653 1.00 0.00 O ATOM 507 CB ASN A 36 10.201 -12.919 0.988 1.00 0.00 C ATOM 508 CG ASN A 36 10.020 -13.024 2.490 1.00 0.00 C ATOM 509 OD1 ASN A 36 8.939 -12.758 3.016 1.00 0.00 O ATOM 510 ND2 ASN A 36 11.081 -13.414 3.188 1.00 0.00 N ATOM 0 H ASN A 36 8.352 -11.343 0.561 1.00 0.00 H new ATOM 0 HA ASN A 36 10.983 -10.942 1.311 1.00 0.00 H new ATOM 0 HB2 ASN A 36 9.314 -13.311 0.489 1.00 0.00 H new ATOM 0 HB3 ASN A 36 11.041 -13.542 0.681 1.00 0.00 H new ATOM 0 HD21 ASN A 36 11.020 -13.503 4.202 1.00 0.00 H new ATOM 0 HD22 ASN A 36 11.957 -13.624 2.710 1.00 0.00 H new ATOM 517 N LEU A 37 12.277 -10.578 -0.779 1.00 0.00 N ATOM 518 CA LEU A 37 13.164 -10.470 -1.932 1.00 0.00 C ATOM 519 C LEU A 37 14.063 -11.697 -2.044 1.00 0.00 C ATOM 520 O LEU A 37 14.356 -12.168 -3.144 1.00 0.00 O ATOM 521 CB LEU A 37 14.019 -9.206 -1.826 1.00 0.00 C ATOM 522 CG LEU A 37 13.272 -7.919 -1.472 1.00 0.00 C ATOM 523 CD1 LEU A 37 14.245 -6.758 -1.336 1.00 0.00 C ATOM 524 CD2 LEU A 37 12.214 -7.610 -2.522 1.00 0.00 C ATOM 0 H LEU A 37 12.477 -9.916 -0.029 1.00 0.00 H new ATOM 0 HA LEU A 37 12.548 -10.410 -2.829 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.789 -9.374 -1.073 1.00 0.00 H new ATOM 0 HB3 LEU A 37 14.530 -9.056 -2.777 1.00 0.00 H new ATOM 0 HG LEU A 37 12.773 -8.063 -0.514 1.00 0.00 H new ATOM 0 HD11 LEU A 37 13.696 -5.851 -1.084 1.00 0.00 H new ATOM 0 HD12 LEU A 37 14.965 -6.977 -0.548 1.00 0.00 H new ATOM 0 HD13 LEU A 37 14.772 -6.613 -2.279 1.00 0.00 H new ATOM 0 HD21 LEU A 37 11.693 -6.691 -2.254 1.00 0.00 H new ATOM 0 HD22 LEU A 37 12.691 -7.486 -3.494 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.499 -8.432 -2.571 1.00 0.00 H new ATOM 536 N LYS A 38 14.497 -12.213 -0.899 1.00 0.00 N ATOM 537 CA LYS A 38 15.360 -13.388 -0.867 1.00 0.00 C ATOM 538 C LYS A 38 14.650 -14.601 -1.459 1.00 0.00 C ATOM 539 O LYS A 38 15.259 -15.408 -2.162 1.00 0.00 O ATOM 540 CB LYS A 38 15.794 -13.688 0.569 1.00 0.00 C ATOM 541 CG LYS A 38 16.644 -12.593 1.189 1.00 0.00 C ATOM 542 CD LYS A 38 16.464 -12.534 2.697 1.00 0.00 C ATOM 543 CE LYS A 38 17.624 -11.815 3.369 1.00 0.00 C ATOM 544 NZ LYS A 38 17.755 -12.193 4.803 1.00 0.00 N ATOM 0 H LYS A 38 14.265 -11.836 0.020 1.00 0.00 H new ATOM 0 HA LYS A 38 16.243 -13.176 -1.470 1.00 0.00 H new ATOM 0 HB2 LYS A 38 14.907 -13.839 1.184 1.00 0.00 H new ATOM 0 HB3 LYS A 38 16.354 -14.623 0.582 1.00 0.00 H new ATOM 0 HG2 LYS A 38 17.694 -12.769 0.954 1.00 0.00 H new ATOM 0 HG3 LYS A 38 16.376 -11.631 0.752 1.00 0.00 H new ATOM 0 HD2 LYS A 38 15.531 -12.022 2.933 1.00 0.00 H new ATOM 0 HD3 LYS A 38 16.382 -13.546 3.095 1.00 0.00 H new ATOM 0 HE2 LYS A 38 18.550 -12.051 2.845 1.00 0.00 H new ATOM 0 HE3 LYS A 38 17.479 -10.738 3.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 18.556 -11.682 5.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 16.881 -11.944 5.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 17.919 -13.217 4.878 1.00 0.00 H new ATOM 558 N LEU A 39 13.358 -14.723 -1.172 1.00 0.00 N ATOM 559 CA LEU A 39 12.564 -15.837 -1.677 1.00 0.00 C ATOM 560 C LEU A 39 12.188 -15.619 -3.139 1.00 0.00 C ATOM 561 O LEU A 39 12.502 -16.440 -4.001 1.00 0.00 O ATOM 562 CB LEU A 39 11.300 -16.012 -0.834 1.00 0.00 C ATOM 563 CG LEU A 39 11.517 -16.227 0.665 1.00 0.00 C ATOM 564 CD1 LEU A 39 10.184 -16.378 1.381 1.00 0.00 C ATOM 565 CD2 LEU A 39 12.396 -17.445 0.907 1.00 0.00 C ATOM 0 H LEU A 39 12.839 -14.064 -0.592 1.00 0.00 H new ATOM 0 HA LEU A 39 13.168 -16.742 -1.607 1.00 0.00 H new ATOM 0 HB2 LEU A 39 10.674 -15.130 -0.967 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.741 -16.862 -1.225 1.00 0.00 H new ATOM 0 HG LEU A 39 12.025 -15.351 1.069 1.00 0.00 H new ATOM 0 HD11 LEU A 39 10.358 -16.530 2.446 1.00 0.00 H new ATOM 0 HD12 LEU A 39 9.589 -15.476 1.236 1.00 0.00 H new ATOM 0 HD13 LEU A 39 9.648 -17.236 0.975 1.00 0.00 H new ATOM 0 HD21 LEU A 39 12.540 -17.583 1.979 1.00 0.00 H new ATOM 0 HD22 LEU A 39 11.915 -18.329 0.489 1.00 0.00 H new ATOM 0 HD23 LEU A 39 13.363 -17.297 0.427 1.00 0.00 H new ATOM 577 N VAL A 40 11.515 -14.506 -3.412 1.00 0.00 N ATOM 578 CA VAL A 40 11.098 -14.177 -4.770 1.00 0.00 C ATOM 579 C VAL A 40 12.304 -13.997 -5.686 1.00 0.00 C ATOM 580 O VAL A 40 13.316 -13.404 -5.311 1.00 0.00 O ATOM 581 CB VAL A 40 10.247 -12.894 -4.801 1.00 0.00 C ATOM 582 CG1 VAL A 40 9.891 -12.524 -6.233 1.00 0.00 C ATOM 583 CG2 VAL A 40 8.992 -13.067 -3.959 1.00 0.00 C ATOM 0 H VAL A 40 11.247 -13.816 -2.710 1.00 0.00 H new ATOM 0 HA VAL A 40 10.495 -15.012 -5.127 1.00 0.00 H new ATOM 0 HB VAL A 40 10.833 -12.079 -4.375 1.00 0.00 H new ATOM 0 HG11 VAL A 40 9.290 -11.615 -6.235 1.00 0.00 H new ATOM 0 HG12 VAL A 40 10.805 -12.356 -6.803 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.323 -13.336 -6.688 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.402 -12.151 -3.992 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.401 -13.894 -4.353 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.272 -13.281 -2.928 1.00 0.00 H new ATOM 593 N PRO A 41 12.195 -14.520 -6.916 1.00 0.00 N ATOM 594 CA PRO A 41 13.267 -14.428 -7.912 1.00 0.00 C ATOM 595 C PRO A 41 13.460 -13.006 -8.427 1.00 0.00 C ATOM 596 O PRO A 41 12.777 -12.573 -9.354 1.00 0.00 O ATOM 597 CB PRO A 41 12.782 -15.344 -9.039 1.00 0.00 C ATOM 598 CG PRO A 41 11.299 -15.362 -8.902 1.00 0.00 C ATOM 599 CD PRO A 41 11.018 -15.240 -7.430 1.00 0.00 C ATOM 0 HA PRO A 41 14.234 -14.713 -7.498 1.00 0.00 H new ATOM 0 HB2 PRO A 41 13.085 -14.965 -10.015 1.00 0.00 H new ATOM 0 HB3 PRO A 41 13.201 -16.346 -8.942 1.00 0.00 H new ATOM 0 HG2 PRO A 41 10.846 -14.539 -9.455 1.00 0.00 H new ATOM 0 HG3 PRO A 41 10.881 -16.285 -9.304 1.00 0.00 H new ATOM 0 HD2 PRO A 41 10.096 -14.690 -7.241 1.00 0.00 H new ATOM 0 HD3 PRO A 41 10.908 -16.217 -6.960 1.00 0.00 H new ATOM 607 N GLY A 42 14.396 -12.283 -7.819 1.00 0.00 N ATOM 608 CA GLY A 42 14.662 -10.917 -8.231 1.00 0.00 C ATOM 609 C GLY A 42 13.405 -10.072 -8.281 1.00 0.00 C ATOM 610 O GLY A 42 12.804 -9.903 -9.342 1.00 0.00 O ATOM 0 H GLY A 42 14.974 -12.619 -7.049 1.00 0.00 H new ATOM 0 HA2 GLY A 42 15.373 -10.464 -7.540 1.00 0.00 H new ATOM 0 HA3 GLY A 42 15.132 -10.922 -9.214 1.00 0.00 H new ATOM 614 N TYR A 43 13.006 -9.541 -7.131 1.00 0.00 N ATOM 615 CA TYR A 43 11.809 -8.711 -7.047 1.00 0.00 C ATOM 616 C TYR A 43 12.154 -7.237 -7.234 1.00 0.00 C ATOM 617 O TYR A 43 11.369 -6.468 -7.788 1.00 0.00 O ATOM 618 CB TYR A 43 11.114 -8.918 -5.701 1.00 0.00 C ATOM 619 CG TYR A 43 9.807 -8.167 -5.573 1.00 0.00 C ATOM 620 CD1 TYR A 43 8.609 -8.745 -5.972 1.00 0.00 C ATOM 621 CD2 TYR A 43 9.772 -6.879 -5.051 1.00 0.00 C ATOM 622 CE1 TYR A 43 7.413 -8.062 -5.857 1.00 0.00 C ATOM 623 CE2 TYR A 43 8.581 -6.190 -4.932 1.00 0.00 C ATOM 624 CZ TYR A 43 7.404 -6.785 -5.337 1.00 0.00 C ATOM 625 OH TYR A 43 6.215 -6.103 -5.220 1.00 0.00 O ATOM 0 H TYR A 43 13.493 -9.670 -6.244 1.00 0.00 H new ATOM 0 HA TYR A 43 11.132 -9.011 -7.847 1.00 0.00 H new ATOM 0 HB2 TYR A 43 10.927 -9.982 -5.558 1.00 0.00 H new ATOM 0 HB3 TYR A 43 11.785 -8.602 -4.902 1.00 0.00 H new ATOM 0 HD1 TYR A 43 8.612 -9.745 -6.379 1.00 0.00 H new ATOM 0 HD2 TYR A 43 10.691 -6.409 -4.733 1.00 0.00 H new ATOM 0 HE1 TYR A 43 6.490 -8.526 -6.173 1.00 0.00 H new ATOM 0 HE2 TYR A 43 8.571 -5.190 -4.524 1.00 0.00 H new ATOM 0 HH TYR A 43 6.382 -5.218 -4.835 1.00 0.00 H new ATOM 635 N LYS A 44 13.336 -6.849 -6.766 1.00 0.00 N ATOM 636 CA LYS A 44 13.789 -5.468 -6.881 1.00 0.00 C ATOM 637 C LYS A 44 14.157 -5.135 -8.324 1.00 0.00 C ATOM 638 O LYS A 44 13.769 -4.091 -8.849 1.00 0.00 O ATOM 639 CB LYS A 44 14.993 -5.227 -5.968 1.00 0.00 C ATOM 640 CG LYS A 44 14.614 -4.918 -4.530 1.00 0.00 C ATOM 641 CD LYS A 44 15.833 -4.567 -3.694 1.00 0.00 C ATOM 642 CE LYS A 44 16.176 -3.090 -3.802 1.00 0.00 C ATOM 643 NZ LYS A 44 15.384 -2.266 -2.847 1.00 0.00 N ATOM 0 H LYS A 44 13.998 -7.472 -6.303 1.00 0.00 H new ATOM 0 HA LYS A 44 12.971 -4.816 -6.573 1.00 0.00 H new ATOM 0 HB2 LYS A 44 15.633 -6.109 -5.985 1.00 0.00 H new ATOM 0 HB3 LYS A 44 15.580 -4.399 -6.366 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.907 -4.089 -4.510 1.00 0.00 H new ATOM 0 HG3 LYS A 44 14.108 -5.779 -4.093 1.00 0.00 H new ATOM 0 HD2 LYS A 44 15.646 -4.823 -2.651 1.00 0.00 H new ATOM 0 HD3 LYS A 44 16.684 -5.164 -4.021 1.00 0.00 H new ATOM 0 HE2 LYS A 44 17.239 -2.949 -3.608 1.00 0.00 H new ATOM 0 HE3 LYS A 44 15.989 -2.747 -4.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 15.647 -1.265 -2.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 14.370 -2.381 -3.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 15.582 -2.576 -1.874 1.00 0.00 H new ATOM 657 N LYS A 45 14.906 -6.028 -8.960 1.00 0.00 N ATOM 658 CA LYS A 45 15.325 -5.831 -10.343 1.00 0.00 C ATOM 659 C LYS A 45 14.178 -5.280 -11.184 1.00 0.00 C ATOM 660 O LYS A 45 14.378 -4.401 -12.024 1.00 0.00 O ATOM 661 CB LYS A 45 15.821 -7.150 -10.940 1.00 0.00 C ATOM 662 CG LYS A 45 17.131 -7.633 -10.341 1.00 0.00 C ATOM 663 CD LYS A 45 17.552 -8.970 -10.928 1.00 0.00 C ATOM 664 CE LYS A 45 18.269 -8.794 -12.258 1.00 0.00 C ATOM 665 NZ LYS A 45 19.227 -9.903 -12.522 1.00 0.00 N ATOM 0 H LYS A 45 15.236 -6.897 -8.540 1.00 0.00 H new ATOM 0 HA LYS A 45 16.140 -5.107 -10.351 1.00 0.00 H new ATOM 0 HB2 LYS A 45 15.059 -7.915 -10.792 1.00 0.00 H new ATOM 0 HB3 LYS A 45 15.946 -7.028 -12.016 1.00 0.00 H new ATOM 0 HG2 LYS A 45 17.910 -6.893 -10.523 1.00 0.00 H new ATOM 0 HG3 LYS A 45 17.026 -7.726 -9.260 1.00 0.00 H new ATOM 0 HD2 LYS A 45 18.207 -9.487 -10.226 1.00 0.00 H new ATOM 0 HD3 LYS A 45 16.674 -9.600 -11.068 1.00 0.00 H new ATOM 0 HE2 LYS A 45 17.535 -8.748 -13.063 1.00 0.00 H new ATOM 0 HE3 LYS A 45 18.804 -7.844 -12.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 19.695 -9.747 -13.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 19.942 -9.931 -11.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 18.713 -10.807 -12.546 1.00 0.00 H new ATOM 679 N VAL A 46 12.977 -5.799 -10.953 1.00 0.00 N ATOM 680 CA VAL A 46 11.798 -5.357 -11.689 1.00 0.00 C ATOM 681 C VAL A 46 11.132 -4.173 -10.997 1.00 0.00 C ATOM 682 O VAL A 46 10.791 -3.178 -11.639 1.00 0.00 O ATOM 683 CB VAL A 46 10.771 -6.494 -11.839 1.00 0.00 C ATOM 684 CG1 VAL A 46 9.482 -5.972 -12.454 1.00 0.00 C ATOM 685 CG2 VAL A 46 11.349 -7.627 -12.674 1.00 0.00 C ATOM 0 H VAL A 46 12.794 -6.526 -10.262 1.00 0.00 H new ATOM 0 HA VAL A 46 12.138 -5.052 -12.679 1.00 0.00 H new ATOM 0 HB VAL A 46 10.540 -6.885 -10.848 1.00 0.00 H new ATOM 0 HG11 VAL A 46 8.768 -6.790 -12.552 1.00 0.00 H new ATOM 0 HG12 VAL A 46 9.061 -5.198 -11.813 1.00 0.00 H new ATOM 0 HG13 VAL A 46 9.692 -5.554 -13.438 1.00 0.00 H new ATOM 0 HG21 VAL A 46 10.610 -8.422 -12.770 1.00 0.00 H new ATOM 0 HG22 VAL A 46 11.610 -7.253 -13.664 1.00 0.00 H new ATOM 0 HG23 VAL A 46 12.242 -8.019 -12.187 1.00 0.00 H new ATOM 695 N ILE A 47 10.950 -4.286 -9.686 1.00 0.00 N ATOM 696 CA ILE A 47 10.326 -3.224 -8.907 1.00 0.00 C ATOM 697 C ILE A 47 11.341 -2.151 -8.528 1.00 0.00 C ATOM 698 O ILE A 47 12.296 -2.415 -7.797 1.00 0.00 O ATOM 699 CB ILE A 47 9.674 -3.774 -7.625 1.00 0.00 C ATOM 700 CG1 ILE A 47 8.636 -4.843 -7.973 1.00 0.00 C ATOM 701 CG2 ILE A 47 9.035 -2.646 -6.830 1.00 0.00 C ATOM 702 CD1 ILE A 47 7.599 -4.376 -8.971 1.00 0.00 C ATOM 0 H ILE A 47 11.226 -5.103 -9.141 1.00 0.00 H new ATOM 0 HA ILE A 47 9.553 -2.783 -9.537 1.00 0.00 H new ATOM 0 HB ILE A 47 10.448 -4.233 -7.009 1.00 0.00 H new ATOM 0 HG12 ILE A 47 9.148 -5.717 -8.375 1.00 0.00 H new ATOM 0 HG13 ILE A 47 8.133 -5.160 -7.060 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.578 -3.051 -5.927 1.00 0.00 H new ATOM 0 HG22 ILE A 47 9.797 -1.917 -6.556 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.271 -2.161 -7.437 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.896 -5.185 -9.171 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.061 -3.520 -8.563 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.092 -4.086 -9.899 1.00 0.00 H new ATOM 714 N LYS A 48 11.127 -0.939 -9.028 1.00 0.00 N ATOM 715 CA LYS A 48 12.020 0.177 -8.740 1.00 0.00 C ATOM 716 C LYS A 48 11.983 0.535 -7.258 1.00 0.00 C ATOM 717 O LYS A 48 13.024 0.686 -6.618 1.00 0.00 O ATOM 718 CB LYS A 48 11.634 1.396 -9.580 1.00 0.00 C ATOM 719 CG LYS A 48 11.952 1.242 -11.058 1.00 0.00 C ATOM 720 CD LYS A 48 13.449 1.152 -11.300 1.00 0.00 C ATOM 721 CE LYS A 48 13.798 1.446 -12.751 1.00 0.00 C ATOM 722 NZ LYS A 48 15.060 0.774 -13.165 1.00 0.00 N ATOM 0 H LYS A 48 10.342 -0.704 -9.635 1.00 0.00 H new ATOM 0 HA LYS A 48 13.035 -0.127 -8.997 1.00 0.00 H new ATOM 0 HB2 LYS A 48 10.566 1.583 -9.464 1.00 0.00 H new ATOM 0 HB3 LYS A 48 12.155 2.272 -9.194 1.00 0.00 H new ATOM 0 HG2 LYS A 48 11.466 0.346 -11.444 1.00 0.00 H new ATOM 0 HG3 LYS A 48 11.544 2.089 -11.609 1.00 0.00 H new ATOM 0 HD2 LYS A 48 13.967 1.857 -10.650 1.00 0.00 H new ATOM 0 HD3 LYS A 48 13.802 0.156 -11.034 1.00 0.00 H new ATOM 0 HE2 LYS A 48 12.983 1.116 -13.395 1.00 0.00 H new ATOM 0 HE3 LYS A 48 13.897 2.523 -12.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 15.263 0.999 -14.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 15.843 1.108 -12.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 14.957 -0.255 -13.057 1.00 0.00 H new ATOM 736 N LYS A 49 10.777 0.669 -6.716 1.00 0.00 N ATOM 737 CA LYS A 49 10.603 1.007 -5.309 1.00 0.00 C ATOM 738 C LYS A 49 9.537 0.125 -4.665 1.00 0.00 C ATOM 739 O LYS A 49 8.344 0.426 -4.701 1.00 0.00 O ATOM 740 CB LYS A 49 10.218 2.481 -5.161 1.00 0.00 C ATOM 741 CG LYS A 49 11.412 3.410 -5.026 1.00 0.00 C ATOM 742 CD LYS A 49 11.052 4.838 -5.403 1.00 0.00 C ATOM 743 CE LYS A 49 10.500 5.606 -4.212 1.00 0.00 C ATOM 744 NZ LYS A 49 9.050 5.338 -4.003 1.00 0.00 N ATOM 0 H LYS A 49 9.905 0.548 -7.231 1.00 0.00 H new ATOM 0 HA LYS A 49 11.551 0.832 -4.799 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.629 2.783 -6.027 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.579 2.595 -4.286 1.00 0.00 H new ATOM 0 HG2 LYS A 49 11.780 3.385 -4.000 1.00 0.00 H new ATOM 0 HG3 LYS A 49 12.223 3.057 -5.664 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.935 5.347 -5.788 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.314 4.829 -6.205 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.053 5.331 -3.314 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.653 6.674 -4.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.650 6.064 -3.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.557 5.363 -4.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.929 4.400 -3.570 1.00 0.00 H new ATOM 758 N PRO A 50 9.976 -0.989 -4.062 1.00 0.00 N ATOM 759 CA PRO A 50 9.075 -1.936 -3.397 1.00 0.00 C ATOM 760 C PRO A 50 8.473 -1.363 -2.119 1.00 0.00 C ATOM 761 O PRO A 50 9.045 -1.498 -1.037 1.00 0.00 O ATOM 762 CB PRO A 50 9.985 -3.124 -3.074 1.00 0.00 C ATOM 763 CG PRO A 50 11.354 -2.541 -2.989 1.00 0.00 C ATOM 764 CD PRO A 50 11.384 -1.411 -3.981 1.00 0.00 C ATOM 0 HA PRO A 50 8.220 -2.194 -4.023 1.00 0.00 H new ATOM 0 HB2 PRO A 50 9.698 -3.599 -2.136 1.00 0.00 H new ATOM 0 HB3 PRO A 50 9.928 -3.889 -3.849 1.00 0.00 H new ATOM 0 HG2 PRO A 50 11.563 -2.182 -1.981 1.00 0.00 H new ATOM 0 HG3 PRO A 50 12.112 -3.288 -3.225 1.00 0.00 H new ATOM 0 HD2 PRO A 50 12.028 -0.598 -3.645 1.00 0.00 H new ATOM 0 HD3 PRO A 50 11.762 -1.737 -4.950 1.00 0.00 H new ATOM 772 N MET A 51 7.315 -0.724 -2.250 1.00 0.00 N ATOM 773 CA MET A 51 6.635 -0.132 -1.104 1.00 0.00 C ATOM 774 C MET A 51 5.668 -1.128 -0.472 1.00 0.00 C ATOM 775 O MET A 51 5.339 -2.153 -1.070 1.00 0.00 O ATOM 776 CB MET A 51 5.881 1.130 -1.528 1.00 0.00 C ATOM 777 CG MET A 51 5.363 1.950 -0.357 1.00 0.00 C ATOM 778 SD MET A 51 6.670 2.424 0.791 1.00 0.00 S ATOM 779 CE MET A 51 7.979 2.864 -0.349 1.00 0.00 C ATOM 0 H MET A 51 6.828 -0.603 -3.138 1.00 0.00 H new ATOM 0 HA MET A 51 7.389 0.135 -0.364 1.00 0.00 H new ATOM 0 HB2 MET A 51 6.541 1.752 -2.133 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.041 0.846 -2.162 1.00 0.00 H new ATOM 0 HG2 MET A 51 4.874 2.848 -0.735 1.00 0.00 H new ATOM 0 HG3 MET A 51 4.606 1.376 0.177 1.00 0.00 H new ATOM 0 HE1 MET A 51 8.724 3.468 0.168 1.00 0.00 H new ATOM 0 HE2 MET A 51 8.449 1.958 -0.731 1.00 0.00 H new ATOM 0 HE3 MET A 51 7.562 3.434 -1.179 1.00 0.00 H new ATOM 789 N ASP A 52 5.218 -0.821 0.740 1.00 0.00 N ATOM 790 CA ASP A 52 4.289 -1.690 1.453 1.00 0.00 C ATOM 791 C ASP A 52 3.593 -0.933 2.580 1.00 0.00 C ATOM 792 O ASP A 52 4.148 0.011 3.142 1.00 0.00 O ATOM 793 CB ASP A 52 5.024 -2.906 2.017 1.00 0.00 C ATOM 794 CG ASP A 52 6.135 -3.386 1.103 1.00 0.00 C ATOM 795 OD1 ASP A 52 7.229 -2.784 1.131 1.00 0.00 O ATOM 796 OD2 ASP A 52 5.911 -4.364 0.360 1.00 0.00 O ATOM 0 H ASP A 52 5.481 0.023 1.249 1.00 0.00 H new ATOM 0 HA ASP A 52 3.532 -2.029 0.745 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.442 -2.654 2.992 1.00 0.00 H new ATOM 0 HB3 ASP A 52 4.312 -3.716 2.175 1.00 0.00 H new ATOM 801 N PHE A 53 2.375 -1.352 2.904 1.00 0.00 N ATOM 802 CA PHE A 53 1.603 -0.713 3.963 1.00 0.00 C ATOM 803 C PHE A 53 2.360 -0.750 5.287 1.00 0.00 C ATOM 804 O PHE A 53 2.462 0.259 5.985 1.00 0.00 O ATOM 805 CB PHE A 53 0.245 -1.401 4.120 1.00 0.00 C ATOM 806 CG PHE A 53 -0.714 -1.095 3.005 1.00 0.00 C ATOM 807 CD1 PHE A 53 -0.901 0.207 2.572 1.00 0.00 C ATOM 808 CD2 PHE A 53 -1.429 -2.111 2.391 1.00 0.00 C ATOM 809 CE1 PHE A 53 -1.783 0.491 1.547 1.00 0.00 C ATOM 810 CE2 PHE A 53 -2.313 -1.833 1.365 1.00 0.00 C ATOM 811 CZ PHE A 53 -2.489 -0.530 0.942 1.00 0.00 C ATOM 0 H PHE A 53 1.901 -2.132 2.448 1.00 0.00 H new ATOM 0 HA PHE A 53 1.445 0.329 3.684 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.397 -2.479 4.173 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.201 -1.095 5.066 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.351 1.010 3.041 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.294 -3.132 2.718 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.920 1.511 1.219 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -2.865 -2.633 0.895 1.00 0.00 H new ATOM 0 HZ PHE A 53 -3.178 -0.310 0.140 1.00 0.00 H new ATOM 821 N SER A 54 2.890 -1.921 5.627 1.00 0.00 N ATOM 822 CA SER A 54 3.634 -2.092 6.869 1.00 0.00 C ATOM 823 C SER A 54 4.781 -1.089 6.957 1.00 0.00 C ATOM 824 O SER A 54 5.296 -0.810 8.040 1.00 0.00 O ATOM 825 CB SER A 54 4.180 -3.517 6.969 1.00 0.00 C ATOM 826 OG SER A 54 4.639 -3.978 5.710 1.00 0.00 O ATOM 0 H SER A 54 2.818 -2.765 5.059 1.00 0.00 H new ATOM 0 HA SER A 54 2.952 -1.913 7.700 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.997 -3.547 7.690 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.401 -4.183 7.341 1.00 0.00 H new ATOM 0 HG SER A 54 4.005 -4.632 5.350 1.00 0.00 H new ATOM 832 N THR A 55 5.177 -0.549 5.808 1.00 0.00 N ATOM 833 CA THR A 55 6.263 0.421 5.754 1.00 0.00 C ATOM 834 C THR A 55 5.725 1.847 5.726 1.00 0.00 C ATOM 835 O THR A 55 6.037 2.656 6.601 1.00 0.00 O ATOM 836 CB THR A 55 7.155 0.197 4.518 1.00 0.00 C ATOM 837 OG1 THR A 55 7.804 -1.077 4.607 1.00 0.00 O ATOM 838 CG2 THR A 55 8.199 1.296 4.398 1.00 0.00 C ATOM 0 H THR A 55 4.761 -0.768 4.903 1.00 0.00 H new ATOM 0 HA THR A 55 6.860 0.278 6.655 1.00 0.00 H new ATOM 0 HB THR A 55 6.522 0.221 3.631 1.00 0.00 H new ATOM 0 HG1 THR A 55 8.368 -1.213 3.817 1.00 0.00 H new ATOM 0 HG21 THR A 55 8.817 1.116 3.518 1.00 0.00 H new ATOM 0 HG22 THR A 55 7.702 2.261 4.301 1.00 0.00 H new ATOM 0 HG23 THR A 55 8.828 1.299 5.288 1.00 0.00 H new ATOM 846 N ILE A 56 4.915 2.149 4.717 1.00 0.00 N ATOM 847 CA ILE A 56 4.332 3.478 4.577 1.00 0.00 C ATOM 848 C ILE A 56 3.805 3.991 5.913 1.00 0.00 C ATOM 849 O ILE A 56 3.889 5.182 6.209 1.00 0.00 O ATOM 850 CB ILE A 56 3.186 3.485 3.549 1.00 0.00 C ATOM 851 CG1 ILE A 56 3.739 3.300 2.134 1.00 0.00 C ATOM 852 CG2 ILE A 56 2.393 4.780 3.648 1.00 0.00 C ATOM 853 CD1 ILE A 56 2.666 3.224 1.071 1.00 0.00 C ATOM 0 H ILE A 56 4.647 1.492 3.984 1.00 0.00 H new ATOM 0 HA ILE A 56 5.127 4.136 4.226 1.00 0.00 H new ATOM 0 HB ILE A 56 2.516 2.654 3.769 1.00 0.00 H new ATOM 0 HG12 ILE A 56 4.409 4.128 1.904 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.336 2.388 2.102 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.586 4.770 2.915 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.972 4.873 4.649 1.00 0.00 H new ATOM 0 HG23 ILE A 56 3.052 5.626 3.451 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.131 3.093 0.094 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.009 2.379 1.277 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.084 4.146 1.075 1.00 0.00 H new ATOM 865 N ARG A 57 3.262 3.082 6.716 1.00 0.00 N ATOM 866 CA ARG A 57 2.722 3.441 8.022 1.00 0.00 C ATOM 867 C ARG A 57 3.810 4.022 8.920 1.00 0.00 C ATOM 868 O ARG A 57 3.742 5.183 9.321 1.00 0.00 O ATOM 869 CB ARG A 57 2.092 2.218 8.691 1.00 0.00 C ATOM 870 CG ARG A 57 0.951 2.560 9.635 1.00 0.00 C ATOM 871 CD ARG A 57 1.467 3.096 10.962 1.00 0.00 C ATOM 872 NE ARG A 57 2.254 2.101 11.685 1.00 0.00 N ATOM 873 CZ ARG A 57 2.642 2.247 12.947 1.00 0.00 C ATOM 874 NH1 ARG A 57 2.319 3.342 13.621 1.00 0.00 N ATOM 875 NH2 ARG A 57 3.356 1.297 13.537 1.00 0.00 N ATOM 0 H ARG A 57 3.184 2.091 6.485 1.00 0.00 H new ATOM 0 HA ARG A 57 1.955 4.201 7.873 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.724 1.542 7.919 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.862 1.681 9.245 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.302 3.302 9.169 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.345 1.672 9.811 1.00 0.00 H new ATOM 0 HD2 ARG A 57 2.078 3.981 10.783 1.00 0.00 H new ATOM 0 HD3 ARG A 57 0.625 3.410 11.578 1.00 0.00 H new ATOM 0 HE ARG A 57 2.520 1.247 11.194 1.00 0.00 H new ATOM 0 HH11 ARG A 57 1.771 4.075 13.171 1.00 0.00 H new ATOM 0 HH12 ARG A 57 2.618 3.451 14.590 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.607 0.454 13.021 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.653 1.410 14.506 1.00 0.00 H new ATOM 889 N GLU A 58 4.811 3.205 9.232 1.00 0.00 N ATOM 890 CA GLU A 58 5.913 3.638 10.083 1.00 0.00 C ATOM 891 C GLU A 58 6.417 5.016 9.662 1.00 0.00 C ATOM 892 O GLU A 58 6.674 5.879 10.501 1.00 0.00 O ATOM 893 CB GLU A 58 7.058 2.625 10.029 1.00 0.00 C ATOM 894 CG GLU A 58 6.639 1.212 10.398 1.00 0.00 C ATOM 895 CD GLU A 58 7.760 0.207 10.224 1.00 0.00 C ATOM 896 OE1 GLU A 58 8.238 0.042 9.082 1.00 0.00 O ATOM 897 OE2 GLU A 58 8.160 -0.416 11.230 1.00 0.00 O ATOM 0 H GLU A 58 4.882 2.240 8.908 1.00 0.00 H new ATOM 0 HA GLU A 58 5.544 3.703 11.106 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.479 2.619 9.024 1.00 0.00 H new ATOM 0 HB3 GLU A 58 7.850 2.948 10.705 1.00 0.00 H new ATOM 0 HG2 GLU A 58 6.300 1.196 11.434 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.791 0.916 9.780 1.00 0.00 H new ATOM 904 N LYS A 59 6.557 5.214 8.356 1.00 0.00 N ATOM 905 CA LYS A 59 7.030 6.485 7.820 1.00 0.00 C ATOM 906 C LYS A 59 5.994 7.584 8.035 1.00 0.00 C ATOM 907 O LYS A 59 6.327 8.689 8.466 1.00 0.00 O ATOM 908 CB LYS A 59 7.343 6.349 6.329 1.00 0.00 C ATOM 909 CG LYS A 59 8.545 5.467 6.037 1.00 0.00 C ATOM 910 CD LYS A 59 8.489 4.896 4.630 1.00 0.00 C ATOM 911 CE LYS A 59 8.607 5.989 3.580 1.00 0.00 C ATOM 912 NZ LYS A 59 8.874 5.431 2.225 1.00 0.00 N ATOM 0 H LYS A 59 6.349 4.510 7.648 1.00 0.00 H new ATOM 0 HA LYS A 59 7.941 6.759 8.352 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.471 5.940 5.819 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.521 7.340 5.912 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.460 6.046 6.160 1.00 0.00 H new ATOM 0 HG3 LYS A 59 8.584 4.652 6.760 1.00 0.00 H new ATOM 0 HD2 LYS A 59 9.295 4.174 4.497 1.00 0.00 H new ATOM 0 HD3 LYS A 59 7.552 4.357 4.492 1.00 0.00 H new ATOM 0 HE2 LYS A 59 7.686 6.572 3.558 1.00 0.00 H new ATOM 0 HE3 LYS A 59 9.410 6.672 3.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 9.808 5.749 1.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 8.857 4.392 2.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 8.143 5.762 1.563 1.00 0.00 H new ATOM 926 N LEU A 60 4.738 7.275 7.734 1.00 0.00 N ATOM 927 CA LEU A 60 3.653 8.236 7.895 1.00 0.00 C ATOM 928 C LEU A 60 3.663 8.838 9.297 1.00 0.00 C ATOM 929 O LEU A 60 3.751 10.054 9.460 1.00 0.00 O ATOM 930 CB LEU A 60 2.306 7.564 7.625 1.00 0.00 C ATOM 931 CG LEU A 60 1.208 8.465 7.058 1.00 0.00 C ATOM 932 CD1 LEU A 60 -0.145 7.778 7.146 1.00 0.00 C ATOM 933 CD2 LEU A 60 1.181 9.799 7.791 1.00 0.00 C ATOM 0 H LEU A 60 4.445 6.365 7.377 1.00 0.00 H new ATOM 0 HA LEU A 60 3.802 9.040 7.174 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.467 6.740 6.930 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.946 7.129 8.558 1.00 0.00 H new ATOM 0 HG LEU A 60 1.427 8.655 6.007 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.914 8.434 6.738 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.120 6.850 6.575 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.373 7.556 8.188 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.394 10.427 7.374 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.987 9.628 8.850 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.143 10.298 7.674 1.00 0.00 H new ATOM 945 N SER A 61 3.573 7.977 10.305 1.00 0.00 N ATOM 946 CA SER A 61 3.570 8.423 11.694 1.00 0.00 C ATOM 947 C SER A 61 4.877 9.130 12.040 1.00 0.00 C ATOM 948 O SER A 61 4.878 10.170 12.698 1.00 0.00 O ATOM 949 CB SER A 61 3.355 7.235 12.633 1.00 0.00 C ATOM 950 OG SER A 61 3.304 7.656 13.985 1.00 0.00 O ATOM 0 H SER A 61 3.501 6.966 10.186 1.00 0.00 H new ATOM 0 HA SER A 61 2.750 9.130 11.821 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.428 6.725 12.373 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.162 6.514 12.504 1.00 0.00 H new ATOM 0 HG SER A 61 3.164 6.878 14.565 1.00 0.00 H new ATOM 956 N SER A 62 5.989 8.556 11.592 1.00 0.00 N ATOM 957 CA SER A 62 7.304 9.128 11.857 1.00 0.00 C ATOM 958 C SER A 62 7.409 10.539 11.286 1.00 0.00 C ATOM 959 O SER A 62 8.357 11.268 11.572 1.00 0.00 O ATOM 960 CB SER A 62 8.399 8.241 11.260 1.00 0.00 C ATOM 961 OG SER A 62 9.681 8.634 11.721 1.00 0.00 O ATOM 0 H SER A 62 6.006 7.696 11.044 1.00 0.00 H new ATOM 0 HA SER A 62 7.438 9.182 12.937 1.00 0.00 H new ATOM 0 HB2 SER A 62 8.216 7.201 11.529 1.00 0.00 H new ATOM 0 HB3 SER A 62 8.366 8.300 10.172 1.00 0.00 H new ATOM 0 HG SER A 62 9.710 9.609 11.817 1.00 0.00 H new ATOM 967 N GLY A 63 6.425 10.916 10.475 1.00 0.00 N ATOM 968 CA GLY A 63 6.424 12.238 9.875 1.00 0.00 C ATOM 969 C GLY A 63 7.445 12.371 8.763 1.00 0.00 C ATOM 970 O GLY A 63 8.125 13.391 8.655 1.00 0.00 O ATOM 0 H GLY A 63 5.629 10.330 10.223 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.431 12.454 9.480 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.630 12.983 10.644 1.00 0.00 H new ATOM 974 N GLN A 64 7.555 11.336 7.935 1.00 0.00 N ATOM 975 CA GLN A 64 8.503 11.342 6.828 1.00 0.00 C ATOM 976 C GLN A 64 7.934 12.091 5.628 1.00 0.00 C ATOM 977 O GLN A 64 8.680 12.630 4.809 1.00 0.00 O ATOM 978 CB GLN A 64 8.861 9.910 6.427 1.00 0.00 C ATOM 979 CG GLN A 64 9.929 9.280 7.307 1.00 0.00 C ATOM 980 CD GLN A 64 10.768 8.259 6.566 1.00 0.00 C ATOM 981 OE1 GLN A 64 10.606 8.061 5.361 1.00 0.00 O ATOM 982 NE2 GLN A 64 11.673 7.603 7.283 1.00 0.00 N ATOM 0 H GLN A 64 7.000 10.484 8.010 1.00 0.00 H new ATOM 0 HA GLN A 64 9.406 11.855 7.159 1.00 0.00 H new ATOM 0 HB2 GLN A 64 7.962 9.295 6.465 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.206 9.907 5.393 1.00 0.00 H new ATOM 0 HG2 GLN A 64 10.579 10.062 7.700 1.00 0.00 H new ATOM 0 HG3 GLN A 64 9.453 8.801 8.163 1.00 0.00 H new ATOM 0 HE21 GLN A 64 11.774 7.798 8.279 1.00 0.00 H new ATOM 0 HE22 GLN A 64 12.267 6.904 6.838 1.00 0.00 H new ATOM 991 N TYR A 65 6.610 12.121 5.529 1.00 0.00 N ATOM 992 CA TYR A 65 5.941 12.802 4.427 1.00 0.00 C ATOM 993 C TYR A 65 5.666 14.261 4.775 1.00 0.00 C ATOM 994 O TYR A 65 4.887 14.576 5.675 1.00 0.00 O ATOM 995 CB TYR A 65 4.630 12.092 4.082 1.00 0.00 C ATOM 996 CG TYR A 65 4.805 10.631 3.734 1.00 0.00 C ATOM 997 CD1 TYR A 65 5.540 10.246 2.620 1.00 0.00 C ATOM 998 CD2 TYR A 65 4.236 9.637 4.520 1.00 0.00 C ATOM 999 CE1 TYR A 65 5.702 8.912 2.298 1.00 0.00 C ATOM 1000 CE2 TYR A 65 4.394 8.301 4.206 1.00 0.00 C ATOM 1001 CZ TYR A 65 5.128 7.943 3.094 1.00 0.00 C ATOM 1002 OH TYR A 65 5.287 6.614 2.778 1.00 0.00 O ATOM 0 H TYR A 65 5.978 11.682 6.199 1.00 0.00 H new ATOM 0 HA TYR A 65 6.601 12.773 3.560 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.948 12.176 4.928 1.00 0.00 H new ATOM 0 HB3 TYR A 65 4.160 12.603 3.242 1.00 0.00 H new ATOM 0 HD1 TYR A 65 5.992 11.002 1.995 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.660 9.913 5.391 1.00 0.00 H new ATOM 0 HE1 TYR A 65 6.275 8.630 1.427 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.945 7.541 4.828 1.00 0.00 H new ATOM 0 HH TYR A 65 6.010 6.518 2.124 1.00 0.00 H new ATOM 1012 N PRO A 66 6.320 15.176 4.043 1.00 0.00 N ATOM 1013 CA PRO A 66 6.163 16.618 4.254 1.00 0.00 C ATOM 1014 C PRO A 66 4.787 17.119 3.829 1.00 0.00 C ATOM 1015 O PRO A 66 4.292 18.118 4.349 1.00 0.00 O ATOM 1016 CB PRO A 66 7.251 17.227 3.367 1.00 0.00 C ATOM 1017 CG PRO A 66 7.487 16.210 2.304 1.00 0.00 C ATOM 1018 CD PRO A 66 7.263 14.873 2.954 1.00 0.00 C ATOM 0 HA PRO A 66 6.251 16.888 5.306 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.929 18.177 2.941 1.00 0.00 H new ATOM 0 HB3 PRO A 66 8.160 17.424 3.935 1.00 0.00 H new ATOM 0 HG2 PRO A 66 6.805 16.356 1.466 1.00 0.00 H new ATOM 0 HG3 PRO A 66 8.500 16.287 1.908 1.00 0.00 H new ATOM 0 HD2 PRO A 66 6.847 14.150 2.252 1.00 0.00 H new ATOM 0 HD3 PRO A 66 8.193 14.450 3.334 1.00 0.00 H new ATOM 1026 N ASN A 67 4.173 16.418 2.881 1.00 0.00 N ATOM 1027 CA ASN A 67 2.853 16.792 2.386 1.00 0.00 C ATOM 1028 C ASN A 67 2.082 15.565 1.912 1.00 0.00 C ATOM 1029 O ASN A 67 2.550 14.433 2.046 1.00 0.00 O ATOM 1030 CB ASN A 67 2.982 17.801 1.243 1.00 0.00 C ATOM 1031 CG ASN A 67 4.190 18.703 1.401 1.00 0.00 C ATOM 1032 OD1 ASN A 67 5.344 18.234 0.939 1.00 0.00 O flip ATOM 1033 ND2 ASN A 67 4.087 19.810 1.931 1.00 0.00 N flip ATOM 0 H ASN A 67 4.569 15.588 2.440 1.00 0.00 H new ATOM 0 HA ASN A 67 2.301 17.251 3.206 1.00 0.00 H new ATOM 0 HB2 ASN A 67 3.053 17.266 0.296 1.00 0.00 H new ATOM 0 HB3 ASN A 67 2.080 18.411 1.197 1.00 0.00 H new ATOM 0 HD21 ASN A 67 3.180 20.130 2.272 1.00 0.00 H new ATOM 0 HD22 ASN A 67 4.908 20.407 2.029 1.00 0.00 H new ATOM 1040 N LEU A 68 0.897 15.795 1.358 1.00 0.00 N ATOM 1041 CA LEU A 68 0.059 14.709 0.863 1.00 0.00 C ATOM 1042 C LEU A 68 0.637 14.115 -0.418 1.00 0.00 C ATOM 1043 O LEU A 68 0.778 12.899 -0.541 1.00 0.00 O ATOM 1044 CB LEU A 68 -1.364 15.210 0.609 1.00 0.00 C ATOM 1045 CG LEU A 68 -2.035 15.942 1.772 1.00 0.00 C ATOM 1046 CD1 LEU A 68 -3.184 16.802 1.269 1.00 0.00 C ATOM 1047 CD2 LEU A 68 -2.526 14.949 2.815 1.00 0.00 C ATOM 0 H LEU A 68 0.495 16.725 1.240 1.00 0.00 H new ATOM 0 HA LEU A 68 0.032 13.929 1.624 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.344 15.878 -0.252 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.985 14.357 0.336 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.298 16.594 2.240 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.650 17.315 2.110 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.804 17.538 0.560 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.923 16.170 0.776 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.001 15.488 3.635 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.248 14.271 2.360 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.681 14.376 3.198 1.00 0.00 H new ATOM 1059 N GLU A 69 0.972 14.983 -1.368 1.00 0.00 N ATOM 1060 CA GLU A 69 1.537 14.544 -2.638 1.00 0.00 C ATOM 1061 C GLU A 69 2.468 13.352 -2.437 1.00 0.00 C ATOM 1062 O GLU A 69 2.309 12.310 -3.074 1.00 0.00 O ATOM 1063 CB GLU A 69 2.296 15.691 -3.308 1.00 0.00 C ATOM 1064 CG GLU A 69 2.721 15.389 -4.735 1.00 0.00 C ATOM 1065 CD GLU A 69 1.641 15.721 -5.748 1.00 0.00 C ATOM 1066 OE1 GLU A 69 0.591 15.045 -5.737 1.00 0.00 O ATOM 1067 OE2 GLU A 69 1.847 16.655 -6.550 1.00 0.00 O ATOM 0 H GLU A 69 0.862 15.993 -1.282 1.00 0.00 H new ATOM 0 HA GLU A 69 0.715 14.236 -3.284 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.667 16.581 -3.306 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.181 15.924 -2.716 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.621 15.957 -4.970 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.979 14.333 -4.818 1.00 0.00 H new ATOM 1074 N THR A 70 3.442 13.513 -1.546 1.00 0.00 N ATOM 1075 CA THR A 70 4.400 12.453 -1.261 1.00 0.00 C ATOM 1076 C THR A 70 3.696 11.192 -0.774 1.00 0.00 C ATOM 1077 O THR A 70 3.853 10.117 -1.354 1.00 0.00 O ATOM 1078 CB THR A 70 5.429 12.894 -0.203 1.00 0.00 C ATOM 1079 OG1 THR A 70 4.775 13.122 1.050 1.00 0.00 O ATOM 1080 CG2 THR A 70 6.148 14.160 -0.643 1.00 0.00 C ATOM 0 H THR A 70 3.588 14.368 -1.009 1.00 0.00 H new ATOM 0 HA THR A 70 4.920 12.238 -2.195 1.00 0.00 H new ATOM 0 HB THR A 70 6.165 12.098 -0.089 1.00 0.00 H new ATOM 0 HG1 THR A 70 4.025 13.739 0.920 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.870 14.452 0.120 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.668 13.975 -1.583 1.00 0.00 H new ATOM 0 HG23 THR A 70 5.422 14.961 -0.782 1.00 0.00 H new ATOM 1088 N PHE A 71 2.918 11.330 0.295 1.00 0.00 N ATOM 1089 CA PHE A 71 2.190 10.201 0.861 1.00 0.00 C ATOM 1090 C PHE A 71 1.460 9.422 -0.230 1.00 0.00 C ATOM 1091 O PHE A 71 1.609 8.206 -0.344 1.00 0.00 O ATOM 1092 CB PHE A 71 1.189 10.687 1.912 1.00 0.00 C ATOM 1093 CG PHE A 71 0.302 9.598 2.445 1.00 0.00 C ATOM 1094 CD1 PHE A 71 0.727 8.787 3.485 1.00 0.00 C ATOM 1095 CD2 PHE A 71 -0.956 9.385 1.905 1.00 0.00 C ATOM 1096 CE1 PHE A 71 -0.087 7.785 3.978 1.00 0.00 C ATOM 1097 CE2 PHE A 71 -1.774 8.384 2.394 1.00 0.00 C ATOM 1098 CZ PHE A 71 -1.339 7.582 3.431 1.00 0.00 C ATOM 0 H PHE A 71 2.776 12.213 0.786 1.00 0.00 H new ATOM 0 HA PHE A 71 2.912 9.537 1.336 1.00 0.00 H new ATOM 0 HB2 PHE A 71 1.735 11.138 2.741 1.00 0.00 H new ATOM 0 HB3 PHE A 71 0.568 11.469 1.476 1.00 0.00 H new ATOM 0 HD1 PHE A 71 1.706 8.940 3.915 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -1.301 10.008 1.093 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.255 7.161 4.790 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -2.753 8.229 1.965 1.00 0.00 H new ATOM 0 HZ PHE A 71 -1.976 6.798 3.813 1.00 0.00 H new ATOM 1108 N ALA A 72 0.671 10.133 -1.029 1.00 0.00 N ATOM 1109 CA ALA A 72 -0.080 9.510 -2.111 1.00 0.00 C ATOM 1110 C ALA A 72 0.849 8.779 -3.075 1.00 0.00 C ATOM 1111 O ALA A 72 0.666 7.592 -3.350 1.00 0.00 O ATOM 1112 CB ALA A 72 -0.899 10.555 -2.855 1.00 0.00 C ATOM 0 H ALA A 72 0.536 11.141 -0.947 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.757 8.776 -1.674 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.455 10.076 -3.661 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.597 11.029 -2.165 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.233 11.310 -3.273 1.00 0.00 H new ATOM 1118 N LEU A 73 1.845 9.494 -3.586 1.00 0.00 N ATOM 1119 CA LEU A 73 2.803 8.913 -4.520 1.00 0.00 C ATOM 1120 C LEU A 73 3.224 7.517 -4.071 1.00 0.00 C ATOM 1121 O LEU A 73 3.160 6.560 -4.843 1.00 0.00 O ATOM 1122 CB LEU A 73 4.034 9.813 -4.645 1.00 0.00 C ATOM 1123 CG LEU A 73 3.832 11.123 -5.409 1.00 0.00 C ATOM 1124 CD1 LEU A 73 4.946 12.106 -5.085 1.00 0.00 C ATOM 1125 CD2 LEU A 73 3.766 10.862 -6.906 1.00 0.00 C ATOM 0 H LEU A 73 2.010 10.477 -3.369 1.00 0.00 H new ATOM 0 HA LEU A 73 2.319 8.831 -5.493 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.389 10.051 -3.642 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.825 9.247 -5.137 1.00 0.00 H new ATOM 0 HG LEU A 73 2.885 11.563 -5.096 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.786 13.032 -5.637 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.946 12.317 -4.016 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.906 11.675 -5.370 1.00 0.00 H new ATOM 0 HD21 LEU A 73 3.622 11.805 -7.434 1.00 0.00 H new ATOM 0 HD22 LEU A 73 4.696 10.400 -7.236 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.932 10.194 -7.122 1.00 0.00 H new ATOM 1137 N ASP A 74 3.652 7.409 -2.818 1.00 0.00 N ATOM 1138 CA ASP A 74 4.081 6.129 -2.264 1.00 0.00 C ATOM 1139 C ASP A 74 2.956 5.101 -2.339 1.00 0.00 C ATOM 1140 O ASP A 74 3.152 3.986 -2.822 1.00 0.00 O ATOM 1141 CB ASP A 74 4.534 6.303 -0.814 1.00 0.00 C ATOM 1142 CG ASP A 74 5.912 6.925 -0.709 1.00 0.00 C ATOM 1143 OD1 ASP A 74 6.048 8.124 -1.031 1.00 0.00 O ATOM 1144 OD2 ASP A 74 6.856 6.214 -0.305 1.00 0.00 O ATOM 0 H ASP A 74 3.711 8.192 -2.167 1.00 0.00 H new ATOM 0 HA ASP A 74 4.921 5.767 -2.857 1.00 0.00 H new ATOM 0 HB2 ASP A 74 3.815 6.928 -0.284 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.538 5.332 -0.319 1.00 0.00 H new ATOM 1149 N VAL A 75 1.778 5.484 -1.858 1.00 0.00 N ATOM 1150 CA VAL A 75 0.622 4.596 -1.871 1.00 0.00 C ATOM 1151 C VAL A 75 0.323 4.102 -3.282 1.00 0.00 C ATOM 1152 O VAL A 75 0.391 2.904 -3.558 1.00 0.00 O ATOM 1153 CB VAL A 75 -0.630 5.296 -1.308 1.00 0.00 C ATOM 1154 CG1 VAL A 75 -1.818 4.346 -1.306 1.00 0.00 C ATOM 1155 CG2 VAL A 75 -0.359 5.828 0.091 1.00 0.00 C ATOM 0 H VAL A 75 1.599 6.403 -1.454 1.00 0.00 H new ATOM 0 HA VAL A 75 0.870 3.745 -1.237 1.00 0.00 H new ATOM 0 HB VAL A 75 -0.873 6.141 -1.952 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.693 4.858 -0.905 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.024 4.019 -2.325 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.589 3.479 -0.686 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -1.254 6.319 0.473 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.090 5.002 0.749 1.00 0.00 H new ATOM 0 HG23 VAL A 75 0.461 6.545 0.055 1.00 0.00 H new ATOM 1165 N ARG A 76 -0.007 5.032 -4.171 1.00 0.00 N ATOM 1166 CA ARG A 76 -0.316 4.691 -5.555 1.00 0.00 C ATOM 1167 C ARG A 76 0.708 3.709 -6.114 1.00 0.00 C ATOM 1168 O ARG A 76 0.389 2.884 -6.972 1.00 0.00 O ATOM 1169 CB ARG A 76 -0.352 5.954 -6.418 1.00 0.00 C ATOM 1170 CG ARG A 76 -1.342 6.998 -5.928 1.00 0.00 C ATOM 1171 CD ARG A 76 -1.099 8.348 -6.585 1.00 0.00 C ATOM 1172 NE ARG A 76 -2.006 9.374 -6.080 1.00 0.00 N ATOM 1173 CZ ARG A 76 -2.149 10.570 -6.640 1.00 0.00 C ATOM 1174 NH1 ARG A 76 -1.448 10.887 -7.720 1.00 0.00 N ATOM 1175 NH2 ARG A 76 -2.995 11.451 -6.122 1.00 0.00 N ATOM 0 H ARG A 76 -0.067 6.028 -3.958 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.297 4.217 -5.576 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.645 6.395 -6.444 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -0.605 5.677 -7.441 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.358 6.666 -6.141 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.260 7.099 -4.846 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -0.069 8.657 -6.409 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.223 8.254 -7.664 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.561 9.161 -5.251 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -0.798 10.212 -8.122 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.559 11.806 -8.149 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.537 11.210 -5.292 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -3.103 12.369 -6.554 1.00 0.00 H new ATOM 1189 N LEU A 77 1.939 3.802 -5.625 1.00 0.00 N ATOM 1190 CA LEU A 77 3.011 2.922 -6.076 1.00 0.00 C ATOM 1191 C LEU A 77 2.813 1.506 -5.545 1.00 0.00 C ATOM 1192 O LEU A 77 3.006 0.528 -6.268 1.00 0.00 O ATOM 1193 CB LEU A 77 4.368 3.464 -5.622 1.00 0.00 C ATOM 1194 CG LEU A 77 5.597 2.729 -6.158 1.00 0.00 C ATOM 1195 CD1 LEU A 77 5.827 3.070 -7.622 1.00 0.00 C ATOM 1196 CD2 LEU A 77 6.827 3.073 -5.329 1.00 0.00 C ATOM 0 H LEU A 77 2.220 4.479 -4.915 1.00 0.00 H new ATOM 0 HA LEU A 77 2.986 2.889 -7.165 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.437 4.510 -5.919 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.401 3.439 -4.533 1.00 0.00 H new ATOM 0 HG LEU A 77 5.418 1.657 -6.080 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.706 2.538 -7.986 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.956 2.774 -8.206 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.985 4.144 -7.725 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.693 2.541 -5.724 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.008 4.147 -5.375 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.662 2.778 -4.293 1.00 0.00 H new ATOM 1208 N VAL A 78 2.424 1.403 -4.279 1.00 0.00 N ATOM 1209 CA VAL A 78 2.196 0.107 -3.652 1.00 0.00 C ATOM 1210 C VAL A 78 1.332 -0.787 -4.535 1.00 0.00 C ATOM 1211 O VAL A 78 1.518 -2.003 -4.576 1.00 0.00 O ATOM 1212 CB VAL A 78 1.518 0.260 -2.277 1.00 0.00 C ATOM 1213 CG1 VAL A 78 1.280 -1.103 -1.644 1.00 0.00 C ATOM 1214 CG2 VAL A 78 2.357 1.141 -1.365 1.00 0.00 C ATOM 0 H VAL A 78 2.260 2.202 -3.667 1.00 0.00 H new ATOM 0 HA VAL A 78 3.174 -0.356 -3.518 1.00 0.00 H new ATOM 0 HB VAL A 78 0.551 0.741 -2.420 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.800 -0.975 -0.674 1.00 0.00 H new ATOM 0 HG12 VAL A 78 0.635 -1.697 -2.292 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.233 -1.615 -1.513 1.00 0.00 H new ATOM 0 HG21 VAL A 78 1.863 1.238 -0.398 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.340 0.690 -1.227 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.470 2.127 -1.815 1.00 0.00 H new ATOM 1224 N PHE A 79 0.388 -0.175 -5.242 1.00 0.00 N ATOM 1225 CA PHE A 79 -0.506 -0.915 -6.126 1.00 0.00 C ATOM 1226 C PHE A 79 0.021 -0.912 -7.558 1.00 0.00 C ATOM 1227 O PHE A 79 -0.476 -1.642 -8.415 1.00 0.00 O ATOM 1228 CB PHE A 79 -1.911 -0.312 -6.086 1.00 0.00 C ATOM 1229 CG PHE A 79 -2.341 0.116 -4.712 1.00 0.00 C ATOM 1230 CD1 PHE A 79 -1.996 -0.634 -3.599 1.00 0.00 C ATOM 1231 CD2 PHE A 79 -3.090 1.268 -4.533 1.00 0.00 C ATOM 1232 CE1 PHE A 79 -2.391 -0.243 -2.334 1.00 0.00 C ATOM 1233 CE2 PHE A 79 -3.487 1.664 -3.270 1.00 0.00 C ATOM 1234 CZ PHE A 79 -3.137 0.908 -2.169 1.00 0.00 C ATOM 0 H PHE A 79 0.222 0.831 -5.220 1.00 0.00 H new ATOM 0 HA PHE A 79 -0.551 -1.946 -5.776 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -1.947 0.549 -6.754 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -2.623 -1.043 -6.469 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.412 -1.534 -3.722 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -3.367 1.863 -5.391 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -2.117 -0.837 -1.475 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -4.071 2.564 -3.144 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.446 1.216 -1.181 1.00 0.00 H new ATOM 1244 N ASP A 80 1.029 -0.084 -7.810 1.00 0.00 N ATOM 1245 CA ASP A 80 1.624 0.015 -9.137 1.00 0.00 C ATOM 1246 C ASP A 80 2.689 -1.059 -9.337 1.00 0.00 C ATOM 1247 O ASP A 80 2.704 -1.749 -10.355 1.00 0.00 O ATOM 1248 CB ASP A 80 2.236 1.402 -9.343 1.00 0.00 C ATOM 1249 CG ASP A 80 2.775 1.594 -10.747 1.00 0.00 C ATOM 1250 OD1 ASP A 80 1.996 1.430 -11.709 1.00 0.00 O ATOM 1251 OD2 ASP A 80 3.976 1.909 -10.884 1.00 0.00 O ATOM 0 H ASP A 80 1.451 0.528 -7.112 1.00 0.00 H new ATOM 0 HA ASP A 80 0.836 -0.139 -9.874 1.00 0.00 H new ATOM 0 HB2 ASP A 80 1.482 2.162 -9.139 1.00 0.00 H new ATOM 0 HB3 ASP A 80 3.042 1.551 -8.624 1.00 0.00 H new ATOM 1256 N ASN A 81 3.578 -1.192 -8.359 1.00 0.00 N ATOM 1257 CA ASN A 81 4.648 -2.181 -8.428 1.00 0.00 C ATOM 1258 C ASN A 81 4.081 -3.597 -8.428 1.00 0.00 C ATOM 1259 O ASN A 81 4.366 -4.391 -9.326 1.00 0.00 O ATOM 1260 CB ASN A 81 5.610 -2.005 -7.251 1.00 0.00 C ATOM 1261 CG ASN A 81 4.901 -1.563 -5.986 1.00 0.00 C ATOM 1262 OD1 ASN A 81 3.703 -1.791 -5.821 1.00 0.00 O ATOM 1263 ND2 ASN A 81 5.641 -0.927 -5.085 1.00 0.00 N ATOM 0 H ASN A 81 3.579 -0.628 -7.509 1.00 0.00 H new ATOM 0 HA ASN A 81 5.192 -2.027 -9.360 1.00 0.00 H new ATOM 0 HB2 ASN A 81 6.127 -2.946 -7.064 1.00 0.00 H new ATOM 0 HB3 ASN A 81 6.371 -1.270 -7.514 1.00 0.00 H new ATOM 0 HD21 ASN A 81 5.219 -0.606 -4.214 1.00 0.00 H new ATOM 0 HD22 ASN A 81 6.631 -0.760 -5.264 1.00 0.00 H new ATOM 1270 N CYS A 82 3.276 -3.906 -7.418 1.00 0.00 N ATOM 1271 CA CYS A 82 2.668 -5.227 -7.301 1.00 0.00 C ATOM 1272 C CYS A 82 1.962 -5.617 -8.595 1.00 0.00 C ATOM 1273 O CYS A 82 2.318 -6.608 -9.232 1.00 0.00 O ATOM 1274 CB CYS A 82 1.676 -5.254 -6.137 1.00 0.00 C ATOM 1275 SG CYS A 82 2.442 -5.518 -4.520 1.00 0.00 S ATOM 0 H CYS A 82 3.029 -3.260 -6.668 1.00 0.00 H new ATOM 0 HA CYS A 82 3.462 -5.949 -7.109 1.00 0.00 H new ATOM 0 HB2 CYS A 82 1.129 -4.312 -6.118 1.00 0.00 H new ATOM 0 HB3 CYS A 82 0.946 -6.043 -6.314 1.00 0.00 H new ATOM 0 HG CYS A 82 1.627 -5.129 -3.585 1.00 0.00 H new ATOM 1281 N GLU A 83 0.960 -4.832 -8.977 1.00 0.00 N ATOM 1282 CA GLU A 83 0.202 -5.097 -10.194 1.00 0.00 C ATOM 1283 C GLU A 83 1.138 -5.391 -11.364 1.00 0.00 C ATOM 1284 O GLU A 83 0.789 -6.131 -12.283 1.00 0.00 O ATOM 1285 CB GLU A 83 -0.697 -3.907 -10.532 1.00 0.00 C ATOM 1286 CG GLU A 83 -0.032 -2.878 -11.432 1.00 0.00 C ATOM 1287 CD GLU A 83 -0.243 -3.169 -12.905 1.00 0.00 C ATOM 1288 OE1 GLU A 83 -0.797 -4.241 -13.226 1.00 0.00 O ATOM 1289 OE2 GLU A 83 0.147 -2.324 -13.738 1.00 0.00 O ATOM 0 H GLU A 83 0.654 -4.007 -8.461 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.421 -5.974 -10.020 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -1.601 -4.272 -11.018 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -1.007 -3.422 -9.606 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -0.427 -1.889 -11.201 1.00 0.00 H new ATOM 0 HG3 GLU A 83 1.037 -2.852 -11.220 1.00 0.00 H new ATOM 1296 N THR A 84 2.330 -4.803 -11.322 1.00 0.00 N ATOM 1297 CA THR A 84 3.316 -4.999 -12.377 1.00 0.00 C ATOM 1298 C THR A 84 4.039 -6.331 -12.215 1.00 0.00 C ATOM 1299 O THR A 84 3.992 -7.186 -13.099 1.00 0.00 O ATOM 1300 CB THR A 84 4.355 -3.862 -12.393 1.00 0.00 C ATOM 1301 OG1 THR A 84 3.773 -2.674 -12.941 1.00 0.00 O ATOM 1302 CG2 THR A 84 5.577 -4.257 -13.209 1.00 0.00 C ATOM 0 H THR A 84 2.635 -4.187 -10.568 1.00 0.00 H new ATOM 0 HA THR A 84 2.772 -4.998 -13.321 1.00 0.00 H new ATOM 0 HB THR A 84 4.669 -3.672 -11.367 1.00 0.00 H new ATOM 0 HG1 THR A 84 3.330 -2.168 -12.228 1.00 0.00 H new ATOM 0 HG21 THR A 84 6.297 -3.438 -13.206 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.035 -5.144 -12.772 1.00 0.00 H new ATOM 0 HG23 THR A 84 5.276 -4.471 -14.234 1.00 0.00 H new ATOM 1310 N PHE A 85 4.706 -6.502 -11.078 1.00 0.00 N ATOM 1311 CA PHE A 85 5.439 -7.731 -10.799 1.00 0.00 C ATOM 1312 C PHE A 85 4.492 -8.925 -10.730 1.00 0.00 C ATOM 1313 O PHE A 85 4.636 -9.889 -11.481 1.00 0.00 O ATOM 1314 CB PHE A 85 6.213 -7.602 -9.486 1.00 0.00 C ATOM 1315 CG PHE A 85 7.160 -8.739 -9.234 1.00 0.00 C ATOM 1316 CD1 PHE A 85 8.446 -8.714 -9.749 1.00 0.00 C ATOM 1317 CD2 PHE A 85 6.765 -9.834 -8.482 1.00 0.00 C ATOM 1318 CE1 PHE A 85 9.321 -9.759 -9.518 1.00 0.00 C ATOM 1319 CE2 PHE A 85 7.636 -10.882 -8.248 1.00 0.00 C ATOM 1320 CZ PHE A 85 8.915 -10.845 -8.768 1.00 0.00 C ATOM 0 H PHE A 85 4.754 -5.805 -10.335 1.00 0.00 H new ATOM 0 HA PHE A 85 6.145 -7.896 -11.613 1.00 0.00 H new ATOM 0 HB2 PHE A 85 6.774 -6.668 -9.495 1.00 0.00 H new ATOM 0 HB3 PHE A 85 5.504 -7.540 -8.660 1.00 0.00 H new ATOM 0 HD1 PHE A 85 8.769 -7.868 -10.338 1.00 0.00 H new ATOM 0 HD2 PHE A 85 5.766 -9.869 -8.074 1.00 0.00 H new ATOM 0 HE1 PHE A 85 10.321 -9.726 -9.924 1.00 0.00 H new ATOM 0 HE2 PHE A 85 7.316 -11.729 -7.659 1.00 0.00 H new ATOM 0 HZ PHE A 85 9.596 -11.664 -8.588 1.00 0.00 H new ATOM 1330 N ASN A 86 3.524 -8.853 -9.822 1.00 0.00 N ATOM 1331 CA ASN A 86 2.554 -9.929 -9.652 1.00 0.00 C ATOM 1332 C ASN A 86 1.761 -10.154 -10.936 1.00 0.00 C ATOM 1333 O ASN A 86 1.275 -9.205 -11.551 1.00 0.00 O ATOM 1334 CB ASN A 86 1.599 -9.606 -8.501 1.00 0.00 C ATOM 1335 CG ASN A 86 2.203 -9.916 -7.145 1.00 0.00 C ATOM 1336 OD1 ASN A 86 2.412 -11.078 -6.797 1.00 0.00 O ATOM 1337 ND2 ASN A 86 2.487 -8.874 -6.371 1.00 0.00 N ATOM 0 H ASN A 86 3.390 -8.061 -9.193 1.00 0.00 H new ATOM 0 HA ASN A 86 3.100 -10.843 -9.417 1.00 0.00 H new ATOM 0 HB2 ASN A 86 1.328 -8.551 -8.542 1.00 0.00 H new ATOM 0 HB3 ASN A 86 0.679 -10.177 -8.625 1.00 0.00 H new ATOM 0 HD21 ASN A 86 2.895 -9.021 -5.448 1.00 0.00 H new ATOM 0 HD22 ASN A 86 2.297 -7.927 -6.700 1.00 0.00 H new ATOM 1344 N GLU A 87 1.636 -11.416 -11.334 1.00 0.00 N ATOM 1345 CA GLU A 87 0.902 -11.765 -12.546 1.00 0.00 C ATOM 1346 C GLU A 87 -0.428 -11.020 -12.610 1.00 0.00 C ATOM 1347 O GLU A 87 -0.997 -10.654 -11.581 1.00 0.00 O ATOM 1348 CB GLU A 87 0.657 -13.274 -12.603 1.00 0.00 C ATOM 1349 CG GLU A 87 1.813 -14.056 -13.206 1.00 0.00 C ATOM 1350 CD GLU A 87 1.901 -15.472 -12.670 1.00 0.00 C ATOM 1351 OE1 GLU A 87 2.443 -15.654 -11.560 1.00 0.00 O ATOM 1352 OE2 GLU A 87 1.428 -16.398 -13.362 1.00 0.00 O ATOM 0 H GLU A 87 2.033 -12.213 -10.836 1.00 0.00 H new ATOM 0 HA GLU A 87 1.506 -11.469 -13.404 1.00 0.00 H new ATOM 0 HB2 GLU A 87 0.468 -13.641 -11.594 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -0.244 -13.466 -13.186 1.00 0.00 H new ATOM 0 HG2 GLU A 87 1.699 -14.088 -14.290 1.00 0.00 H new ATOM 0 HG3 GLU A 87 2.747 -13.534 -12.999 1.00 0.00 H new ATOM 1359 N ASP A 88 -0.917 -10.798 -13.825 1.00 0.00 N ATOM 1360 CA ASP A 88 -2.180 -10.098 -14.025 1.00 0.00 C ATOM 1361 C ASP A 88 -3.363 -11.030 -13.783 1.00 0.00 C ATOM 1362 O ASP A 88 -4.518 -10.639 -13.950 1.00 0.00 O ATOM 1363 CB ASP A 88 -2.250 -9.521 -15.440 1.00 0.00 C ATOM 1364 CG ASP A 88 -1.049 -8.658 -15.773 1.00 0.00 C ATOM 1365 OD1 ASP A 88 -1.069 -7.457 -15.431 1.00 0.00 O ATOM 1366 OD2 ASP A 88 -0.090 -9.182 -16.377 1.00 0.00 O ATOM 0 H ASP A 88 -0.458 -11.093 -14.687 1.00 0.00 H new ATOM 0 HA ASP A 88 -2.232 -9.281 -13.305 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -2.318 -10.337 -16.159 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -3.159 -8.929 -15.543 1.00 0.00 H new ATOM 1371 N ASP A 89 -3.066 -12.264 -13.391 1.00 0.00 N ATOM 1372 CA ASP A 89 -4.105 -13.253 -13.126 1.00 0.00 C ATOM 1373 C ASP A 89 -3.913 -13.888 -11.753 1.00 0.00 C ATOM 1374 O ASP A 89 -4.501 -14.927 -11.451 1.00 0.00 O ATOM 1375 CB ASP A 89 -4.097 -14.334 -14.208 1.00 0.00 C ATOM 1376 CG ASP A 89 -4.756 -13.872 -15.493 1.00 0.00 C ATOM 1377 OD1 ASP A 89 -4.375 -12.798 -16.002 1.00 0.00 O ATOM 1378 OD2 ASP A 89 -5.654 -14.586 -15.989 1.00 0.00 O ATOM 0 H ASP A 89 -2.115 -12.604 -13.250 1.00 0.00 H new ATOM 0 HA ASP A 89 -5.069 -12.744 -13.139 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -3.068 -14.628 -14.416 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -4.613 -15.220 -13.837 1.00 0.00 H new ATOM 1383 N SER A 90 -3.087 -13.258 -10.925 1.00 0.00 N ATOM 1384 CA SER A 90 -2.813 -13.764 -9.585 1.00 0.00 C ATOM 1385 C SER A 90 -3.727 -13.103 -8.558 1.00 0.00 C ATOM 1386 O SER A 90 -4.351 -12.079 -8.834 1.00 0.00 O ATOM 1387 CB SER A 90 -1.349 -13.520 -9.214 1.00 0.00 C ATOM 1388 OG SER A 90 -0.990 -12.165 -9.417 1.00 0.00 O ATOM 0 H SER A 90 -2.595 -12.395 -11.158 1.00 0.00 H new ATOM 0 HA SER A 90 -3.007 -14.837 -9.581 1.00 0.00 H new ATOM 0 HB2 SER A 90 -1.185 -13.790 -8.171 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.706 -14.164 -9.815 1.00 0.00 H new ATOM 0 HG SER A 90 -0.901 -11.990 -10.377 1.00 0.00 H new ATOM 1394 N ASP A 91 -3.800 -13.697 -7.372 1.00 0.00 N ATOM 1395 CA ASP A 91 -4.637 -13.167 -6.301 1.00 0.00 C ATOM 1396 C ASP A 91 -4.220 -11.745 -5.940 1.00 0.00 C ATOM 1397 O ASP A 91 -5.057 -10.844 -5.861 1.00 0.00 O ATOM 1398 CB ASP A 91 -4.552 -14.065 -5.066 1.00 0.00 C ATOM 1399 CG ASP A 91 -5.144 -15.440 -5.308 1.00 0.00 C ATOM 1400 OD1 ASP A 91 -4.471 -16.271 -5.953 1.00 0.00 O ATOM 1401 OD2 ASP A 91 -6.281 -15.684 -4.853 1.00 0.00 O ATOM 0 H ASP A 91 -3.290 -14.546 -7.128 1.00 0.00 H new ATOM 0 HA ASP A 91 -5.668 -13.146 -6.655 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.509 -14.169 -4.767 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -5.075 -13.588 -4.237 1.00 0.00 H new ATOM 1406 N ILE A 92 -2.924 -11.551 -5.721 1.00 0.00 N ATOM 1407 CA ILE A 92 -2.398 -10.238 -5.369 1.00 0.00 C ATOM 1408 C ILE A 92 -2.767 -9.197 -6.421 1.00 0.00 C ATOM 1409 O ILE A 92 -3.138 -8.071 -6.092 1.00 0.00 O ATOM 1410 CB ILE A 92 -0.866 -10.270 -5.209 1.00 0.00 C ATOM 1411 CG1 ILE A 92 -0.478 -11.079 -3.970 1.00 0.00 C ATOM 1412 CG2 ILE A 92 -0.314 -8.855 -5.120 1.00 0.00 C ATOM 1413 CD1 ILE A 92 1.010 -11.087 -3.696 1.00 0.00 C ATOM 0 H ILE A 92 -2.219 -12.286 -5.781 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.849 -9.963 -4.416 1.00 0.00 H new ATOM 0 HB ILE A 92 -0.433 -10.753 -6.085 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -0.997 -10.671 -3.102 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -0.822 -12.106 -4.094 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.769 -8.894 -5.007 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.565 -8.309 -6.029 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.751 -8.348 -4.260 1.00 0.00 H new ATOM 0 HD11 ILE A 92 1.212 -11.679 -2.804 1.00 0.00 H new ATOM 0 HD12 ILE A 92 1.534 -11.522 -4.547 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.357 -10.065 -3.540 1.00 0.00 H new ATOM 1425 N GLY A 93 -2.663 -9.583 -7.689 1.00 0.00 N ATOM 1426 CA GLY A 93 -2.990 -8.672 -8.770 1.00 0.00 C ATOM 1427 C GLY A 93 -4.382 -8.086 -8.634 1.00 0.00 C ATOM 1428 O GLY A 93 -4.538 -6.884 -8.420 1.00 0.00 O ATOM 0 H GLY A 93 -2.358 -10.510 -7.987 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.259 -7.863 -8.793 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -2.912 -9.199 -9.721 1.00 0.00 H new ATOM 1432 N ARG A 94 -5.395 -8.937 -8.758 1.00 0.00 N ATOM 1433 CA ARG A 94 -6.781 -8.497 -8.650 1.00 0.00 C ATOM 1434 C ARG A 94 -6.964 -7.567 -7.454 1.00 0.00 C ATOM 1435 O ARG A 94 -7.746 -6.618 -7.507 1.00 0.00 O ATOM 1436 CB ARG A 94 -7.713 -9.702 -8.519 1.00 0.00 C ATOM 1437 CG ARG A 94 -7.531 -10.735 -9.620 1.00 0.00 C ATOM 1438 CD ARG A 94 -8.469 -11.917 -9.435 1.00 0.00 C ATOM 1439 NE ARG A 94 -8.733 -12.609 -10.694 1.00 0.00 N ATOM 1440 CZ ARG A 94 -9.663 -13.546 -10.837 1.00 0.00 C ATOM 1441 NH1 ARG A 94 -10.414 -13.902 -9.804 1.00 0.00 N ATOM 1442 NH2 ARG A 94 -9.844 -14.129 -12.015 1.00 0.00 N ATOM 0 H ARG A 94 -5.282 -9.935 -8.933 1.00 0.00 H new ATOM 0 HA ARG A 94 -7.033 -7.949 -9.558 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -7.543 -10.179 -7.554 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -8.746 -9.354 -8.526 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -7.715 -10.272 -10.589 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -6.499 -11.085 -9.625 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -8.034 -12.617 -8.721 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -9.410 -11.570 -9.008 1.00 0.00 H new ATOM 0 HE ARG A 94 -8.172 -12.359 -11.508 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -10.278 -13.456 -8.897 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -11.128 -14.622 -9.916 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -9.268 -13.858 -12.812 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -10.559 -14.849 -12.123 1.00 0.00 H new ATOM 1456 N ALA A 95 -6.237 -7.846 -6.377 1.00 0.00 N ATOM 1457 CA ALA A 95 -6.318 -7.035 -5.169 1.00 0.00 C ATOM 1458 C ALA A 95 -5.938 -5.586 -5.455 1.00 0.00 C ATOM 1459 O ALA A 95 -6.716 -4.668 -5.200 1.00 0.00 O ATOM 1460 CB ALA A 95 -5.423 -7.613 -4.083 1.00 0.00 C ATOM 0 H ALA A 95 -5.585 -8.628 -6.317 1.00 0.00 H new ATOM 0 HA ALA A 95 -7.350 -7.051 -4.819 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -5.494 -6.997 -3.187 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -5.742 -8.629 -3.851 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -4.391 -7.628 -4.432 1.00 0.00 H new ATOM 1466 N GLY A 96 -4.734 -5.388 -5.985 1.00 0.00 N ATOM 1467 CA GLY A 96 -4.271 -4.048 -6.295 1.00 0.00 C ATOM 1468 C GLY A 96 -5.331 -3.215 -6.988 1.00 0.00 C ATOM 1469 O GLY A 96 -5.693 -2.138 -6.513 1.00 0.00 O ATOM 0 H GLY A 96 -4.072 -6.132 -6.205 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -3.966 -3.550 -5.375 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.388 -4.110 -6.931 1.00 0.00 H new ATOM 1473 N HIS A 97 -5.830 -3.712 -8.115 1.00 0.00 N ATOM 1474 CA HIS A 97 -6.854 -3.005 -8.876 1.00 0.00 C ATOM 1475 C HIS A 97 -8.041 -2.647 -7.986 1.00 0.00 C ATOM 1476 O HIS A 97 -8.617 -1.567 -8.109 1.00 0.00 O ATOM 1477 CB HIS A 97 -7.324 -3.857 -10.054 1.00 0.00 C ATOM 1478 CG HIS A 97 -6.420 -3.783 -11.246 1.00 0.00 C ATOM 1479 ND1 HIS A 97 -5.963 -2.592 -11.770 1.00 0.00 N ATOM 1480 CD2 HIS A 97 -5.887 -4.760 -12.015 1.00 0.00 C ATOM 1481 CE1 HIS A 97 -5.189 -2.841 -12.812 1.00 0.00 C ATOM 1482 NE2 HIS A 97 -5.126 -4.149 -12.981 1.00 0.00 N ATOM 0 H HIS A 97 -5.542 -4.602 -8.522 1.00 0.00 H new ATOM 0 HA HIS A 97 -6.416 -2.082 -9.257 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -7.403 -4.895 -9.732 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -8.324 -3.537 -10.347 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -6.033 -5.823 -11.892 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -4.692 -2.101 -13.422 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -4.598 -4.628 -13.711 1.00 0.00 H new ATOM 1490 N ASN A 98 -8.401 -3.561 -7.091 1.00 0.00 N ATOM 1491 CA ASN A 98 -9.520 -3.343 -6.182 1.00 0.00 C ATOM 1492 C ASN A 98 -9.177 -2.279 -5.143 1.00 0.00 C ATOM 1493 O ASN A 98 -10.034 -1.497 -4.735 1.00 0.00 O ATOM 1494 CB ASN A 98 -9.900 -4.650 -5.484 1.00 0.00 C ATOM 1495 CG ASN A 98 -10.897 -5.464 -6.284 1.00 0.00 C ATOM 1496 OD1 ASN A 98 -11.432 -4.997 -7.290 1.00 0.00 O ATOM 1497 ND2 ASN A 98 -11.153 -6.689 -5.840 1.00 0.00 N ATOM 0 H ASN A 98 -7.934 -4.460 -6.976 1.00 0.00 H new ATOM 0 HA ASN A 98 -10.369 -2.993 -6.769 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -9.001 -5.244 -5.317 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -10.321 -4.426 -4.504 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -11.816 -7.284 -6.337 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -10.687 -7.035 -5.002 1.00 0.00 H new ATOM 1504 N MET A 99 -7.917 -2.257 -4.721 1.00 0.00 N ATOM 1505 CA MET A 99 -7.460 -1.288 -3.732 1.00 0.00 C ATOM 1506 C MET A 99 -7.341 0.103 -4.347 1.00 0.00 C ATOM 1507 O MET A 99 -7.594 1.109 -3.684 1.00 0.00 O ATOM 1508 CB MET A 99 -6.112 -1.718 -3.150 1.00 0.00 C ATOM 1509 CG MET A 99 -6.189 -2.981 -2.308 1.00 0.00 C ATOM 1510 SD MET A 99 -7.387 -2.849 -0.966 1.00 0.00 S ATOM 1511 CE MET A 99 -6.901 -1.291 -0.230 1.00 0.00 C ATOM 0 H MET A 99 -7.195 -2.899 -5.048 1.00 0.00 H new ATOM 0 HA MET A 99 -8.198 -1.249 -2.931 1.00 0.00 H new ATOM 0 HB2 MET A 99 -5.407 -1.878 -3.966 1.00 0.00 H new ATOM 0 HB3 MET A 99 -5.714 -0.908 -2.539 1.00 0.00 H new ATOM 0 HG2 MET A 99 -6.456 -3.823 -2.947 1.00 0.00 H new ATOM 0 HG3 MET A 99 -5.205 -3.196 -1.892 1.00 0.00 H new ATOM 0 HE1 MET A 99 -7.254 -1.249 0.800 1.00 0.00 H new ATOM 0 HE2 MET A 99 -5.815 -1.205 -0.245 1.00 0.00 H new ATOM 0 HE3 MET A 99 -7.338 -0.469 -0.797 1.00 0.00 H new ATOM 1521 N ARG A 100 -6.953 0.152 -5.617 1.00 0.00 N ATOM 1522 CA ARG A 100 -6.799 1.420 -6.321 1.00 0.00 C ATOM 1523 C ARG A 100 -8.149 2.106 -6.505 1.00 0.00 C ATOM 1524 O ARG A 100 -8.298 3.294 -6.218 1.00 0.00 O ATOM 1525 CB ARG A 100 -6.139 1.195 -7.682 1.00 0.00 C ATOM 1526 CG ARG A 100 -6.105 2.438 -8.555 1.00 0.00 C ATOM 1527 CD ARG A 100 -5.914 2.084 -10.022 1.00 0.00 C ATOM 1528 NE ARG A 100 -4.702 1.301 -10.242 1.00 0.00 N ATOM 1529 CZ ARG A 100 -3.480 1.821 -10.236 1.00 0.00 C ATOM 1530 NH1 ARG A 100 -3.308 3.118 -10.021 1.00 0.00 N ATOM 1531 NH2 ARG A 100 -2.425 1.042 -10.444 1.00 0.00 N ATOM 0 H ARG A 100 -6.739 -0.671 -6.180 1.00 0.00 H new ATOM 0 HA ARG A 100 -6.161 2.067 -5.719 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -5.119 0.842 -7.528 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -6.674 0.405 -8.210 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -7.033 2.996 -8.432 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -5.295 3.091 -8.229 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -6.778 1.521 -10.375 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -5.867 2.999 -10.613 1.00 0.00 H new ATOM 0 HE ARG A 100 -4.799 0.300 -10.410 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -4.116 3.720 -9.860 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -2.368 3.514 -10.017 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -2.553 0.044 -10.609 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -1.487 1.442 -10.439 1.00 0.00 H new ATOM 1545 N LYS A 101 -9.130 1.351 -6.987 1.00 0.00 N ATOM 1546 CA LYS A 101 -10.469 1.885 -7.210 1.00 0.00 C ATOM 1547 C LYS A 101 -11.045 2.463 -5.922 1.00 0.00 C ATOM 1548 O LYS A 101 -11.931 3.318 -5.955 1.00 0.00 O ATOM 1549 CB LYS A 101 -11.393 0.792 -7.749 1.00 0.00 C ATOM 1550 CG LYS A 101 -11.773 -0.250 -6.711 1.00 0.00 C ATOM 1551 CD LYS A 101 -13.084 -0.934 -7.062 1.00 0.00 C ATOM 1552 CE LYS A 101 -13.796 -1.445 -5.818 1.00 0.00 C ATOM 1553 NZ LYS A 101 -12.992 -2.475 -5.103 1.00 0.00 N ATOM 0 H LYS A 101 -9.023 0.366 -7.231 1.00 0.00 H new ATOM 0 HA LYS A 101 -10.396 2.686 -7.946 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -12.301 1.254 -8.137 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.904 0.296 -8.588 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -10.981 -0.995 -6.636 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -11.859 0.224 -5.733 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -13.731 -0.234 -7.591 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -12.892 -1.765 -7.740 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -13.997 -0.611 -5.146 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -14.760 -1.868 -6.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -13.488 -2.761 -4.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -12.864 -3.304 -5.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -12.062 -2.080 -4.857 1.00 0.00 H new ATOM 1567 N TYR A 102 -10.537 1.993 -4.788 1.00 0.00 N ATOM 1568 CA TYR A 102 -11.002 2.463 -3.489 1.00 0.00 C ATOM 1569 C TYR A 102 -10.189 3.666 -3.021 1.00 0.00 C ATOM 1570 O TYR A 102 -10.730 4.608 -2.441 1.00 0.00 O ATOM 1571 CB TYR A 102 -10.913 1.340 -2.455 1.00 0.00 C ATOM 1572 CG TYR A 102 -11.137 1.805 -1.034 1.00 0.00 C ATOM 1573 CD1 TYR A 102 -12.003 2.856 -0.755 1.00 0.00 C ATOM 1574 CD2 TYR A 102 -10.484 1.195 0.030 1.00 0.00 C ATOM 1575 CE1 TYR A 102 -12.211 3.285 0.541 1.00 0.00 C ATOM 1576 CE2 TYR A 102 -10.687 1.617 1.330 1.00 0.00 C ATOM 1577 CZ TYR A 102 -11.551 2.662 1.580 1.00 0.00 C ATOM 1578 OH TYR A 102 -11.755 3.086 2.873 1.00 0.00 O ATOM 0 H TYR A 102 -9.803 1.287 -4.742 1.00 0.00 H new ATOM 0 HA TYR A 102 -12.043 2.770 -3.594 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -11.650 0.575 -2.698 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -9.932 0.871 -2.524 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -12.522 3.345 -1.566 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -9.806 0.377 -0.162 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -12.887 4.104 0.740 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -10.172 1.131 2.145 1.00 0.00 H new ATOM 0 HH TYR A 102 -12.662 3.447 2.960 1.00 0.00 H new ATOM 1588 N PHE A 103 -8.886 3.628 -3.279 1.00 0.00 N ATOM 1589 CA PHE A 103 -7.996 4.714 -2.886 1.00 0.00 C ATOM 1590 C PHE A 103 -8.370 6.009 -3.600 1.00 0.00 C ATOM 1591 O PHE A 103 -8.316 7.090 -3.015 1.00 0.00 O ATOM 1592 CB PHE A 103 -6.543 4.348 -3.195 1.00 0.00 C ATOM 1593 CG PHE A 103 -5.579 5.475 -2.961 1.00 0.00 C ATOM 1594 CD1 PHE A 103 -5.354 5.959 -1.682 1.00 0.00 C ATOM 1595 CD2 PHE A 103 -4.897 6.052 -4.020 1.00 0.00 C ATOM 1596 CE1 PHE A 103 -4.467 6.996 -1.463 1.00 0.00 C ATOM 1597 CE2 PHE A 103 -4.008 7.089 -3.807 1.00 0.00 C ATOM 1598 CZ PHE A 103 -3.794 7.562 -2.527 1.00 0.00 C ATOM 0 H PHE A 103 -8.423 2.856 -3.759 1.00 0.00 H new ATOM 0 HA PHE A 103 -8.104 4.868 -1.812 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -6.252 3.497 -2.579 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -6.470 4.028 -4.234 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -5.878 5.520 -0.846 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -5.062 5.688 -5.023 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -4.301 7.363 -0.461 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -3.481 7.529 -4.641 1.00 0.00 H new ATOM 0 HZ PHE A 103 -3.101 8.373 -2.359 1.00 0.00 H new ATOM 1608 N GLU A 104 -8.747 5.890 -4.869 1.00 0.00 N ATOM 1609 CA GLU A 104 -9.128 7.052 -5.665 1.00 0.00 C ATOM 1610 C GLU A 104 -10.469 7.613 -5.200 1.00 0.00 C ATOM 1611 O GLU A 104 -10.582 8.796 -4.879 1.00 0.00 O ATOM 1612 CB GLU A 104 -9.204 6.680 -7.147 1.00 0.00 C ATOM 1613 CG GLU A 104 -7.902 6.129 -7.704 1.00 0.00 C ATOM 1614 CD GLU A 104 -7.990 5.809 -9.184 1.00 0.00 C ATOM 1615 OE1 GLU A 104 -8.907 5.059 -9.576 1.00 0.00 O ATOM 1616 OE2 GLU A 104 -7.140 6.311 -9.949 1.00 0.00 O ATOM 0 H GLU A 104 -8.797 5.002 -5.368 1.00 0.00 H new ATOM 0 HA GLU A 104 -8.366 7.819 -5.530 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -9.991 5.940 -7.287 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -9.490 7.562 -7.720 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.105 6.854 -7.540 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.630 5.227 -7.156 1.00 0.00 H new ATOM 1623 N LYS A 105 -11.483 6.756 -5.168 1.00 0.00 N ATOM 1624 CA LYS A 105 -12.817 7.163 -4.743 1.00 0.00 C ATOM 1625 C LYS A 105 -12.786 7.735 -3.329 1.00 0.00 C ATOM 1626 O LYS A 105 -13.421 8.751 -3.045 1.00 0.00 O ATOM 1627 CB LYS A 105 -13.779 5.975 -4.803 1.00 0.00 C ATOM 1628 CG LYS A 105 -15.227 6.375 -5.026 1.00 0.00 C ATOM 1629 CD LYS A 105 -15.493 6.720 -6.481 1.00 0.00 C ATOM 1630 CE LYS A 105 -16.957 7.059 -6.716 1.00 0.00 C ATOM 1631 NZ LYS A 105 -17.796 5.836 -6.843 1.00 0.00 N ATOM 0 H LYS A 105 -11.406 5.774 -5.432 1.00 0.00 H new ATOM 0 HA LYS A 105 -13.167 7.940 -5.423 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -13.468 5.307 -5.606 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -13.706 5.412 -3.873 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -15.882 5.560 -4.719 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -15.469 7.232 -4.398 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -14.871 7.566 -6.775 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -15.207 5.879 -7.113 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -17.326 7.668 -5.891 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -17.050 7.659 -7.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -18.787 6.110 -7.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -17.461 5.267 -7.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -17.728 5.276 -5.969 1.00 0.00 H new ATOM 1645 N LYS A 106 -12.043 7.077 -2.445 1.00 0.00 N ATOM 1646 CA LYS A 106 -11.927 7.521 -1.061 1.00 0.00 C ATOM 1647 C LYS A 106 -11.147 8.829 -0.973 1.00 0.00 C ATOM 1648 O LYS A 106 -11.610 9.799 -0.372 1.00 0.00 O ATOM 1649 CB LYS A 106 -11.239 6.447 -0.216 1.00 0.00 C ATOM 1650 CG LYS A 106 -11.107 6.819 1.251 1.00 0.00 C ATOM 1651 CD LYS A 106 -12.387 6.532 2.017 1.00 0.00 C ATOM 1652 CE LYS A 106 -12.516 7.425 3.241 1.00 0.00 C ATOM 1653 NZ LYS A 106 -13.164 8.725 2.914 1.00 0.00 N ATOM 0 H LYS A 106 -11.512 6.234 -2.663 1.00 0.00 H new ATOM 0 HA LYS A 106 -12.932 7.691 -0.674 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.802 5.517 -0.297 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -10.247 6.256 -0.624 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -10.283 6.261 1.696 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -10.859 7.877 1.338 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -13.246 6.683 1.363 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -12.401 5.486 2.325 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -13.099 6.911 4.006 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -11.528 7.608 3.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -13.233 9.305 3.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -12.595 9.227 2.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -14.117 8.552 2.535 1.00 0.00 H new ATOM 1667 N TRP A 107 -9.964 8.849 -1.576 1.00 0.00 N ATOM 1668 CA TRP A 107 -9.122 10.039 -1.567 1.00 0.00 C ATOM 1669 C TRP A 107 -9.886 11.251 -2.088 1.00 0.00 C ATOM 1670 O TRP A 107 -9.976 12.278 -1.414 1.00 0.00 O ATOM 1671 CB TRP A 107 -7.868 9.809 -2.413 1.00 0.00 C ATOM 1672 CG TRP A 107 -6.903 10.955 -2.369 1.00 0.00 C ATOM 1673 CD1 TRP A 107 -6.963 12.105 -3.102 1.00 0.00 C ATOM 1674 CD2 TRP A 107 -5.733 11.059 -1.550 1.00 0.00 C ATOM 1675 NE1 TRP A 107 -5.901 12.918 -2.789 1.00 0.00 N ATOM 1676 CE2 TRP A 107 -5.132 12.300 -1.839 1.00 0.00 C ATOM 1677 CE3 TRP A 107 -5.136 10.226 -0.600 1.00 0.00 C ATOM 1678 CZ2 TRP A 107 -3.964 12.724 -1.212 1.00 0.00 C ATOM 1679 CZ3 TRP A 107 -3.976 10.649 0.021 1.00 0.00 C ATOM 1680 CH2 TRP A 107 -3.401 11.889 -0.286 1.00 0.00 C ATOM 0 H TRP A 107 -9.566 8.055 -2.077 1.00 0.00 H new ATOM 0 HA TRP A 107 -8.826 10.235 -0.537 1.00 0.00 H new ATOM 0 HB2 TRP A 107 -7.365 8.906 -2.066 1.00 0.00 H new ATOM 0 HB3 TRP A 107 -8.164 9.632 -3.447 1.00 0.00 H new ATOM 0 HD1 TRP A 107 -7.732 12.341 -3.822 1.00 0.00 H new ATOM 0 HE1 TRP A 107 -5.715 13.834 -3.198 1.00 0.00 H new ATOM 0 HE3 TRP A 107 -5.573 9.269 -0.356 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 -3.518 13.679 -1.448 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -3.505 10.013 0.755 1.00 0.00 H new ATOM 0 HH2 TRP A 107 -2.495 12.192 0.218 1.00 0.00 H new ATOM 1691 N THR A 108 -10.435 11.127 -3.292 1.00 0.00 N ATOM 1692 CA THR A 108 -11.191 12.213 -3.903 1.00 0.00 C ATOM 1693 C THR A 108 -12.351 12.645 -3.013 1.00 0.00 C ATOM 1694 O THR A 108 -12.904 13.731 -3.182 1.00 0.00 O ATOM 1695 CB THR A 108 -11.742 11.806 -5.283 1.00 0.00 C ATOM 1696 OG1 THR A 108 -12.137 12.972 -6.015 1.00 0.00 O ATOM 1697 CG2 THR A 108 -12.928 10.866 -5.137 1.00 0.00 C ATOM 0 H THR A 108 -10.370 10.285 -3.864 1.00 0.00 H new ATOM 0 HA THR A 108 -10.501 13.048 -4.026 1.00 0.00 H new ATOM 0 HB THR A 108 -10.953 11.286 -5.826 1.00 0.00 H new ATOM 0 HG1 THR A 108 -12.401 13.678 -5.388 1.00 0.00 H new ATOM 0 HG21 THR A 108 -13.299 10.593 -6.125 1.00 0.00 H new ATOM 0 HG22 THR A 108 -12.616 9.967 -4.605 1.00 0.00 H new ATOM 0 HG23 THR A 108 -13.720 11.363 -4.576 1.00 0.00 H new ATOM 1705 N ASP A 109 -12.713 11.788 -2.064 1.00 0.00 N ATOM 1706 CA ASP A 109 -13.807 12.083 -1.146 1.00 0.00 C ATOM 1707 C ASP A 109 -13.299 12.839 0.078 1.00 0.00 C ATOM 1708 O ASP A 109 -14.045 13.584 0.715 1.00 0.00 O ATOM 1709 CB ASP A 109 -14.498 10.789 -0.711 1.00 0.00 C ATOM 1710 CG ASP A 109 -15.644 10.409 -1.628 1.00 0.00 C ATOM 1711 OD1 ASP A 109 -16.584 11.219 -1.770 1.00 0.00 O ATOM 1712 OD2 ASP A 109 -15.600 9.302 -2.203 1.00 0.00 O ATOM 0 H ASP A 109 -12.265 10.884 -1.911 1.00 0.00 H new ATOM 0 HA ASP A 109 -14.527 12.713 -1.667 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -13.768 9.980 -0.691 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -14.873 10.905 0.306 1.00 0.00 H new ATOM 1717 N THR A 110 -12.025 12.642 0.403 1.00 0.00 N ATOM 1718 CA THR A 110 -11.419 13.304 1.552 1.00 0.00 C ATOM 1719 C THR A 110 -11.217 14.791 1.286 1.00 0.00 C ATOM 1720 O THR A 110 -11.939 15.631 1.822 1.00 0.00 O ATOM 1721 CB THR A 110 -10.062 12.669 1.913 1.00 0.00 C ATOM 1722 OG1 THR A 110 -10.227 11.268 2.160 1.00 0.00 O ATOM 1723 CG2 THR A 110 -9.462 13.338 3.141 1.00 0.00 C ATOM 0 H THR A 110 -11.393 12.030 -0.113 1.00 0.00 H new ATOM 0 HA THR A 110 -12.106 13.178 2.389 1.00 0.00 H new ATOM 0 HB THR A 110 -9.383 12.812 1.072 1.00 0.00 H new ATOM 0 HG1 THR A 110 -10.544 10.827 1.344 1.00 0.00 H new ATOM 0 HG21 THR A 110 -8.505 12.873 3.377 1.00 0.00 H new ATOM 0 HG22 THR A 110 -9.311 14.399 2.940 1.00 0.00 H new ATOM 0 HG23 THR A 110 -10.140 13.222 3.986 1.00 0.00 H new ATOM 1731 N PHE A 111 -10.230 15.110 0.455 1.00 0.00 N ATOM 1732 CA PHE A 111 -9.933 16.498 0.119 1.00 0.00 C ATOM 1733 C PHE A 111 -10.817 16.981 -1.028 1.00 0.00 C ATOM 1734 O PHE A 111 -11.713 17.802 -0.832 1.00 0.00 O ATOM 1735 CB PHE A 111 -8.458 16.648 -0.261 1.00 0.00 C ATOM 1736 CG PHE A 111 -7.524 15.914 0.658 1.00 0.00 C ATOM 1737 CD1 PHE A 111 -7.186 14.593 0.413 1.00 0.00 C ATOM 1738 CD2 PHE A 111 -6.985 16.545 1.767 1.00 0.00 C ATOM 1739 CE1 PHE A 111 -6.328 13.915 1.258 1.00 0.00 C ATOM 1740 CE2 PHE A 111 -6.126 15.872 2.616 1.00 0.00 C ATOM 1741 CZ PHE A 111 -5.796 14.555 2.360 1.00 0.00 C ATOM 0 H PHE A 111 -9.623 14.427 0.002 1.00 0.00 H new ATOM 0 HA PHE A 111 -10.139 17.111 0.997 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -8.314 16.284 -1.278 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -8.197 17.706 -0.261 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -7.598 14.087 -0.448 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -7.239 17.575 1.971 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -6.074 12.885 1.057 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -5.714 16.375 3.478 1.00 0.00 H new ATOM 0 HZ PHE A 111 -5.124 14.027 3.020 1.00 0.00 H new ATOM 1751 N LYS A 112 -10.557 16.466 -2.224 1.00 0.00 N ATOM 1752 CA LYS A 112 -11.327 16.842 -3.404 1.00 0.00 C ATOM 1753 C LYS A 112 -12.810 16.549 -3.201 1.00 0.00 C ATOM 1754 O LYS A 112 -13.623 17.466 -3.078 1.00 0.00 O ATOM 1755 CB LYS A 112 -10.813 16.093 -4.635 1.00 0.00 C ATOM 1756 CG LYS A 112 -11.698 16.254 -5.858 1.00 0.00 C ATOM 1757 CD LYS A 112 -11.744 17.698 -6.329 1.00 0.00 C ATOM 1758 CE LYS A 112 -10.563 18.029 -7.227 1.00 0.00 C ATOM 1759 NZ LYS A 112 -10.787 17.575 -8.628 1.00 0.00 N ATOM 0 H LYS A 112 -9.818 15.786 -2.402 1.00 0.00 H new ATOM 0 HA LYS A 112 -11.203 17.914 -3.561 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -9.810 16.448 -4.873 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -10.728 15.033 -4.396 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -11.326 15.620 -6.663 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -12.707 15.914 -5.625 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -12.674 17.876 -6.869 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -11.744 18.364 -5.466 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -10.390 19.105 -7.217 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -9.663 17.558 -6.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -9.959 17.819 -9.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -10.927 16.545 -8.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -11.631 18.044 -9.014 1.00 0.00 H new TER 1773 LYS A 112