USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 826 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+ -112:sc= 0.0638 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 MET CE :methyl -112:sc= 0 (180deg=-1.09) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot 180:sc= -0.124 USER MOD Single : A 16 SER OG : rot -80:sc= 0.935 USER MOD Single : A 17 THR OG1 : rot 82:sc= 0.983 USER MOD Single : A 18 TYR OH : rot 120:sc= 0.698 USER MOD Single : A 28 LYS NZ :NH3+ -169:sc=-0.00962 (180deg=-0.136) USER MOD Single : A 29 LYS NZ :NH3+ 144:sc= 2.44 (180deg=2.03) USER MOD Single : A 31 LYS NZ :NH3+ -156:sc= 0.838 (180deg=0.471) USER MOD Single : A 33 TYR OH : rot -57:sc= -0.806! USER MOD Single : A 36 THR OG1 : rot -14:sc= 1.26 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.00394 USER MOD Single : A 44 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0644) USER MOD Single : A 49 SER OG : rot 70:sc=-0.00509 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -166:sc= 1.22 (180deg=0.957) USER MOD Single : A 58 MET CE :methyl -176:sc= -2.92 (180deg=-2.95) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 64 THR OG1 : rot 64:sc= 1.21 USER MOD Single : A 65 HIS :FLIP no HE2:sc= 0.185 F(o=-0.69,f=0.18) USER MOD Single : A 77 SER OG : rot 28:sc= 1.22 USER MOD Single : A 78 THR OG1 : rot 53:sc= 1.13 USER MOD Single : A 83 ASN :FLIP amide:sc= -0.221 F(o=-0.85,f=-0.22) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= -0.946! C(o=-0.95!,f=-12!) USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.0621 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.271 -12.815 24.495 1.00 0.00 N ATOM 2 CA GLY A 1 -6.377 -12.777 23.539 1.00 0.00 C ATOM 3 C GLY A 1 -6.848 -14.167 23.219 1.00 0.00 C ATOM 4 O GLY A 1 -6.056 -15.116 23.267 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.583 -12.415 25.403 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.968 -13.800 24.637 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.474 -12.257 24.126 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.201 -12.194 23.951 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.058 -12.276 22.625 1.00 0.00 H new ATOM 10 N HIS A 2 -8.124 -14.308 22.911 1.00 0.00 N ATOM 11 CA HIS A 2 -8.706 -15.608 22.602 1.00 0.00 C ATOM 12 C HIS A 2 -8.209 -16.114 21.259 1.00 0.00 C ATOM 13 O HIS A 2 -7.962 -17.314 21.100 1.00 0.00 O ATOM 14 CB HIS A 2 -10.257 -15.535 22.610 1.00 0.00 C ATOM 15 CG HIS A 2 -10.954 -16.835 22.251 1.00 0.00 C ATOM 16 ND1 HIS A 2 -11.893 -16.958 21.248 1.00 0.00 N ATOM 17 CD2 HIS A 2 -10.826 -18.070 22.788 1.00 0.00 C ATOM 18 CE1 HIS A 2 -12.291 -18.232 21.205 1.00 0.00 C ATOM 19 NE2 HIS A 2 -11.671 -18.953 22.124 1.00 0.00 N ATOM 0 H HIS A 2 -8.785 -13.533 22.867 1.00 0.00 H new ATOM 0 HA HIS A 2 -8.391 -16.309 23.374 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -10.588 -15.223 23.601 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -10.575 -14.763 21.910 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -10.170 -18.330 23.605 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -13.022 -18.622 20.512 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -11.788 -19.949 22.308 1.00 0.00 H new ATOM 27 N MET A 3 -8.038 -15.184 20.329 1.00 0.00 N ATOM 28 CA MET A 3 -7.657 -15.470 18.950 1.00 0.00 C ATOM 29 C MET A 3 -8.789 -16.173 18.212 1.00 0.00 C ATOM 30 O MET A 3 -8.850 -17.404 18.137 1.00 0.00 O ATOM 31 CB MET A 3 -6.318 -16.243 18.832 1.00 0.00 C ATOM 32 CG MET A 3 -5.932 -16.600 17.403 1.00 0.00 C ATOM 33 SD MET A 3 -5.773 -15.159 16.344 1.00 0.00 S ATOM 34 CE MET A 3 -5.370 -15.947 14.799 1.00 0.00 C ATOM 0 H MET A 3 -8.163 -14.189 20.515 1.00 0.00 H new ATOM 0 HA MET A 3 -7.480 -14.509 18.466 1.00 0.00 H new ATOM 0 HB2 MET A 3 -5.523 -15.641 19.272 1.00 0.00 H new ATOM 0 HB3 MET A 3 -6.386 -17.159 19.419 1.00 0.00 H new ATOM 0 HG2 MET A 3 -4.988 -17.145 17.412 1.00 0.00 H new ATOM 0 HG3 MET A 3 -6.683 -17.271 16.986 1.00 0.00 H new ATOM 0 HE1 MET A 3 -4.342 -15.709 14.526 1.00 0.00 H new ATOM 0 HE2 MET A 3 -5.477 -17.027 14.902 1.00 0.00 H new ATOM 0 HE3 MET A 3 -6.044 -15.588 14.021 1.00 0.00 H new ATOM 44 N LEU A 4 -9.715 -15.390 17.732 1.00 0.00 N ATOM 45 CA LEU A 4 -10.841 -15.894 16.992 1.00 0.00 C ATOM 46 C LEU A 4 -10.591 -15.648 15.516 1.00 0.00 C ATOM 47 O LEU A 4 -10.104 -14.571 15.151 1.00 0.00 O ATOM 48 CB LEU A 4 -12.135 -15.200 17.441 1.00 0.00 C ATOM 49 CG LEU A 4 -13.432 -15.689 16.781 1.00 0.00 C ATOM 50 CD1 LEU A 4 -13.701 -17.152 17.119 1.00 0.00 C ATOM 51 CD2 LEU A 4 -14.604 -14.816 17.193 1.00 0.00 C ATOM 0 H LEU A 4 -9.710 -14.376 17.844 1.00 0.00 H new ATOM 0 HA LEU A 4 -10.957 -16.962 17.176 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -12.233 -15.322 18.520 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -12.035 -14.132 17.249 1.00 0.00 H new ATOM 0 HG LEU A 4 -13.311 -15.612 15.700 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -14.626 -17.472 16.639 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -12.875 -17.766 16.761 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -13.795 -17.264 18.199 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -15.514 -15.179 16.715 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -14.723 -14.854 18.276 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -14.418 -13.787 16.885 1.00 0.00 H new ATOM 63 N ARG A 5 -10.938 -16.638 14.692 1.00 0.00 N ATOM 64 CA ARG A 5 -10.703 -16.641 13.250 1.00 0.00 C ATOM 65 C ARG A 5 -9.230 -16.893 12.984 1.00 0.00 C ATOM 66 O ARG A 5 -8.394 -15.994 13.071 1.00 0.00 O ATOM 67 CB ARG A 5 -11.225 -15.367 12.546 1.00 0.00 C ATOM 68 CG ARG A 5 -11.056 -15.359 11.035 1.00 0.00 C ATOM 69 CD ARG A 5 -11.685 -14.118 10.421 1.00 0.00 C ATOM 70 NE ARG A 5 -13.141 -14.046 10.680 1.00 0.00 N ATOM 71 CZ ARG A 5 -13.941 -13.024 10.331 1.00 0.00 C ATOM 72 NH1 ARG A 5 -13.453 -11.977 9.672 1.00 0.00 N ATOM 73 NH2 ARG A 5 -15.227 -13.052 10.652 1.00 0.00 N ATOM 0 H ARG A 5 -11.404 -17.484 15.021 1.00 0.00 H new ATOM 0 HA ARG A 5 -11.284 -17.453 12.812 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -12.283 -15.247 12.780 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -10.707 -14.502 12.960 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -9.996 -15.395 10.784 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -11.515 -16.252 10.610 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -11.201 -13.229 10.825 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -11.508 -14.117 9.345 1.00 0.00 H new ATOM 0 HE ARG A 5 -13.571 -14.835 11.162 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -12.463 -11.945 9.427 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -14.068 -11.206 9.412 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -15.608 -13.848 11.163 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -15.836 -12.277 10.388 1.00 0.00 H new ATOM 87 N THR A 6 -8.916 -18.133 12.714 1.00 0.00 N ATOM 88 CA THR A 6 -7.568 -18.551 12.503 1.00 0.00 C ATOM 89 C THR A 6 -7.061 -18.118 11.120 1.00 0.00 C ATOM 90 O THR A 6 -7.271 -18.806 10.104 1.00 0.00 O ATOM 91 CB THR A 6 -7.435 -20.076 12.710 1.00 0.00 C ATOM 92 OG1 THR A 6 -7.974 -20.411 14.006 1.00 0.00 O ATOM 93 CG2 THR A 6 -5.976 -20.505 12.665 1.00 0.00 C ATOM 0 H THR A 6 -9.602 -18.884 12.635 1.00 0.00 H new ATOM 0 HA THR A 6 -6.937 -18.058 13.243 1.00 0.00 H new ATOM 0 HB THR A 6 -7.976 -20.588 11.914 1.00 0.00 H new ATOM 0 HG1 THR A 6 -7.898 -21.377 14.152 1.00 0.00 H new ATOM 0 HG21 THR A 6 -5.909 -21.583 12.813 1.00 0.00 H new ATOM 0 HG22 THR A 6 -5.550 -20.245 11.696 1.00 0.00 H new ATOM 0 HG23 THR A 6 -5.422 -19.995 13.453 1.00 0.00 H new ATOM 101 N ALA A 7 -6.495 -16.940 11.100 1.00 0.00 N ATOM 102 CA ALA A 7 -5.878 -16.322 9.957 1.00 0.00 C ATOM 103 C ALA A 7 -5.172 -15.100 10.485 1.00 0.00 C ATOM 104 O ALA A 7 -5.186 -14.869 11.702 1.00 0.00 O ATOM 105 CB ALA A 7 -6.926 -15.913 8.915 1.00 0.00 C ATOM 0 H ALA A 7 -6.450 -16.351 11.932 1.00 0.00 H new ATOM 0 HA ALA A 7 -5.194 -17.011 9.462 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -6.430 -15.449 8.063 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -7.471 -16.796 8.581 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.623 -15.203 9.360 1.00 0.00 H new ATOM 111 N GLY A 8 -4.548 -14.348 9.632 1.00 0.00 N ATOM 112 CA GLY A 8 -3.938 -13.129 10.070 1.00 0.00 C ATOM 113 C GLY A 8 -4.871 -11.992 9.785 1.00 0.00 C ATOM 114 O GLY A 8 -5.529 -11.469 10.685 1.00 0.00 O ATOM 0 H GLY A 8 -4.447 -14.553 8.638 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -3.719 -13.179 11.137 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -2.989 -12.976 9.556 1.00 0.00 H new ATOM 118 N ARG A 9 -4.969 -11.674 8.524 1.00 0.00 N ATOM 119 CA ARG A 9 -5.835 -10.653 7.977 1.00 0.00 C ATOM 120 C ARG A 9 -5.505 -10.575 6.509 1.00 0.00 C ATOM 121 O ARG A 9 -4.384 -10.928 6.116 1.00 0.00 O ATOM 122 CB ARG A 9 -5.599 -9.245 8.595 1.00 0.00 C ATOM 123 CG ARG A 9 -6.572 -8.210 8.037 1.00 0.00 C ATOM 124 CD ARG A 9 -6.184 -6.784 8.323 1.00 0.00 C ATOM 125 NE ARG A 9 -7.056 -5.845 7.581 1.00 0.00 N ATOM 126 CZ ARG A 9 -6.948 -4.502 7.582 1.00 0.00 C ATOM 127 NH1 ARG A 9 -6.264 -3.883 8.529 1.00 0.00 N ATOM 128 NH2 ARG A 9 -7.630 -3.778 6.697 1.00 0.00 N ATOM 0 H ARG A 9 -4.418 -12.144 7.806 1.00 0.00 H new ATOM 0 HA ARG A 9 -6.870 -10.921 8.189 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -5.709 -9.300 9.678 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -4.576 -8.927 8.395 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -6.649 -8.345 6.958 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -7.562 -8.396 8.453 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -6.259 -6.589 9.393 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -5.144 -6.622 8.041 1.00 0.00 H new ATOM 0 HE ARG A 9 -7.805 -6.251 7.019 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -5.812 -4.423 9.267 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -6.188 -2.866 8.521 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -8.235 -4.240 6.018 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -7.548 -2.761 6.698 1.00 0.00 H new ATOM 142 N ASP A 10 -6.429 -10.129 5.700 1.00 0.00 N ATOM 143 CA ASP A 10 -6.151 -9.930 4.299 1.00 0.00 C ATOM 144 C ASP A 10 -5.446 -8.604 4.091 1.00 0.00 C ATOM 145 O ASP A 10 -6.028 -7.646 3.589 1.00 0.00 O ATOM 146 CB ASP A 10 -7.407 -10.007 3.419 1.00 0.00 C ATOM 147 CG ASP A 10 -8.075 -11.352 3.448 1.00 0.00 C ATOM 148 OD1 ASP A 10 -7.602 -12.279 2.774 1.00 0.00 O ATOM 149 OD2 ASP A 10 -9.113 -11.505 4.132 1.00 0.00 O ATOM 0 H ASP A 10 -7.380 -9.896 5.985 1.00 0.00 H new ATOM 0 HA ASP A 10 -5.501 -10.748 3.988 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -8.118 -9.249 3.747 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -7.136 -9.766 2.391 1.00 0.00 H new ATOM 154 N GLY A 11 -4.225 -8.533 4.555 1.00 0.00 N ATOM 155 CA GLY A 11 -3.427 -7.352 4.398 1.00 0.00 C ATOM 156 C GLY A 11 -2.483 -7.541 3.261 1.00 0.00 C ATOM 157 O GLY A 11 -2.664 -6.955 2.205 1.00 0.00 O ATOM 0 H GLY A 11 -3.759 -9.293 5.051 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -4.067 -6.489 4.214 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -2.874 -7.149 5.315 1.00 0.00 H new ATOM 161 N LEU A 12 -1.531 -8.452 3.458 1.00 0.00 N ATOM 162 CA LEU A 12 -0.504 -8.824 2.464 1.00 0.00 C ATOM 163 C LEU A 12 -1.209 -9.325 1.210 1.00 0.00 C ATOM 164 O LEU A 12 -0.778 -9.084 0.076 1.00 0.00 O ATOM 165 CB LEU A 12 0.356 -9.965 3.066 1.00 0.00 C ATOM 166 CG LEU A 12 1.761 -10.268 2.447 1.00 0.00 C ATOM 167 CD1 LEU A 12 2.508 -11.254 3.326 1.00 0.00 C ATOM 168 CD2 LEU A 12 1.666 -10.849 1.039 1.00 0.00 C ATOM 0 H LEU A 12 -1.443 -8.969 4.333 1.00 0.00 H new ATOM 0 HA LEU A 12 0.128 -7.972 2.214 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.504 -9.742 4.123 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.231 -10.882 3.013 1.00 0.00 H new ATOM 0 HG LEU A 12 2.292 -9.318 2.388 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.485 -11.462 2.891 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.637 -10.829 4.321 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.939 -12.181 3.398 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.668 -11.041 0.656 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.104 -11.782 1.068 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.158 -10.139 0.386 1.00 0.00 H new ATOM 180 N CYS A 13 -2.295 -9.992 1.447 1.00 0.00 N ATOM 181 CA CYS A 13 -3.120 -10.579 0.437 1.00 0.00 C ATOM 182 C CYS A 13 -3.637 -9.519 -0.553 1.00 0.00 C ATOM 183 O CYS A 13 -3.463 -9.649 -1.768 1.00 0.00 O ATOM 184 CB CYS A 13 -4.259 -11.279 1.144 1.00 0.00 C ATOM 185 SG CYS A 13 -3.709 -12.333 2.506 1.00 0.00 S ATOM 0 H CYS A 13 -2.646 -10.149 2.392 1.00 0.00 H new ATOM 0 HA CYS A 13 -2.547 -11.291 -0.157 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -4.954 -10.532 1.528 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.809 -11.884 0.423 1.00 0.00 H new ATOM 0 HG CYS A 13 -4.740 -12.896 3.063 1.00 0.00 H new ATOM 191 N ARG A 14 -4.213 -8.441 -0.043 1.00 0.00 N ATOM 192 CA ARG A 14 -4.723 -7.418 -0.936 1.00 0.00 C ATOM 193 C ARG A 14 -3.569 -6.517 -1.387 1.00 0.00 C ATOM 194 O ARG A 14 -3.572 -5.986 -2.485 1.00 0.00 O ATOM 195 CB ARG A 14 -5.881 -6.611 -0.297 1.00 0.00 C ATOM 196 CG ARG A 14 -5.488 -5.672 0.831 1.00 0.00 C ATOM 197 CD ARG A 14 -6.705 -4.958 1.411 1.00 0.00 C ATOM 198 NE ARG A 14 -7.528 -5.829 2.255 1.00 0.00 N ATOM 199 CZ ARG A 14 -8.846 -5.684 2.467 1.00 0.00 C ATOM 200 NH1 ARG A 14 -9.555 -4.809 1.756 1.00 0.00 N ATOM 201 NH2 ARG A 14 -9.457 -6.435 3.381 1.00 0.00 N ATOM 0 H ARG A 14 -4.336 -8.256 0.953 1.00 0.00 H new ATOM 0 HA ARG A 14 -5.151 -7.901 -1.814 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -6.366 -6.027 -1.079 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -6.623 -7.314 0.082 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -4.986 -6.236 1.617 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -4.774 -4.936 0.461 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -6.372 -4.101 1.997 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -7.315 -4.569 0.596 1.00 0.00 H new ATOM 0 HE ARG A 14 -7.062 -6.609 2.719 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -9.097 -4.241 1.043 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -10.556 -4.706 1.925 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -8.924 -7.119 3.918 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -10.458 -6.327 3.544 1.00 0.00 H new ATOM 215 N LEU A 15 -2.557 -6.428 -0.536 1.00 0.00 N ATOM 216 CA LEU A 15 -1.349 -5.659 -0.775 1.00 0.00 C ATOM 217 C LEU A 15 -0.666 -6.124 -2.059 1.00 0.00 C ATOM 218 O LEU A 15 -0.405 -5.327 -2.960 1.00 0.00 O ATOM 219 CB LEU A 15 -0.420 -5.859 0.425 1.00 0.00 C ATOM 220 CG LEU A 15 0.900 -5.123 0.439 1.00 0.00 C ATOM 221 CD1 LEU A 15 0.668 -3.650 0.374 1.00 0.00 C ATOM 222 CD2 LEU A 15 1.663 -5.469 1.700 1.00 0.00 C ATOM 0 H LEU A 15 -2.556 -6.904 0.366 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.592 -4.603 -0.893 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.969 -5.574 1.322 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.207 -6.925 0.507 1.00 0.00 H new ATOM 0 HG LEU A 15 1.485 -5.425 -0.430 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.626 -3.130 0.385 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.133 -3.406 -0.544 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.075 -3.337 1.234 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.614 -4.937 1.707 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.077 -5.177 2.571 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.848 -6.543 1.730 1.00 0.00 H new ATOM 234 N SER A 16 -0.456 -7.426 -2.168 1.00 0.00 N ATOM 235 CA SER A 16 0.207 -8.000 -3.324 1.00 0.00 C ATOM 236 C SER A 16 -0.686 -7.947 -4.573 1.00 0.00 C ATOM 237 O SER A 16 -0.222 -8.139 -5.693 1.00 0.00 O ATOM 238 CB SER A 16 0.645 -9.430 -3.007 1.00 0.00 C ATOM 239 OG SER A 16 -0.438 -10.182 -2.474 1.00 0.00 O ATOM 0 H SER A 16 -0.738 -8.108 -1.464 1.00 0.00 H new ATOM 0 HA SER A 16 1.092 -7.405 -3.549 1.00 0.00 H new ATOM 0 HB2 SER A 16 1.017 -9.910 -3.912 1.00 0.00 H new ATOM 0 HB3 SER A 16 1.469 -9.413 -2.293 1.00 0.00 H new ATOM 0 HG SER A 16 -0.545 -9.972 -1.523 1.00 0.00 H new ATOM 245 N THR A 17 -1.954 -7.684 -4.368 1.00 0.00 N ATOM 246 CA THR A 17 -2.881 -7.563 -5.450 1.00 0.00 C ATOM 247 C THR A 17 -2.807 -6.140 -6.041 1.00 0.00 C ATOM 248 O THR A 17 -2.608 -5.971 -7.252 1.00 0.00 O ATOM 249 CB THR A 17 -4.313 -7.912 -4.971 1.00 0.00 C ATOM 250 OG1 THR A 17 -4.309 -9.251 -4.415 1.00 0.00 O ATOM 251 CG2 THR A 17 -5.303 -7.864 -6.124 1.00 0.00 C ATOM 0 H THR A 17 -2.365 -7.549 -3.444 1.00 0.00 H new ATOM 0 HA THR A 17 -2.618 -8.270 -6.237 1.00 0.00 H new ATOM 0 HB THR A 17 -4.615 -7.181 -4.221 1.00 0.00 H new ATOM 0 HG1 THR A 17 -3.988 -9.220 -3.490 1.00 0.00 H new ATOM 0 HG21 THR A 17 -6.299 -8.113 -5.759 1.00 0.00 H new ATOM 0 HG22 THR A 17 -5.314 -6.862 -6.553 1.00 0.00 H new ATOM 0 HG23 THR A 17 -5.007 -8.583 -6.888 1.00 0.00 H new ATOM 259 N TYR A 18 -2.877 -5.134 -5.175 1.00 0.00 N ATOM 260 CA TYR A 18 -2.830 -3.732 -5.607 1.00 0.00 C ATOM 261 C TYR A 18 -1.469 -3.332 -6.129 1.00 0.00 C ATOM 262 O TYR A 18 -1.368 -2.597 -7.111 1.00 0.00 O ATOM 263 CB TYR A 18 -3.289 -2.783 -4.498 1.00 0.00 C ATOM 264 CG TYR A 18 -4.774 -2.829 -4.258 1.00 0.00 C ATOM 265 CD1 TYR A 18 -5.331 -3.726 -3.367 1.00 0.00 C ATOM 266 CD2 TYR A 18 -5.617 -1.986 -4.950 1.00 0.00 C ATOM 267 CE1 TYR A 18 -6.690 -3.785 -3.173 1.00 0.00 C ATOM 268 CE2 TYR A 18 -6.976 -2.032 -4.762 1.00 0.00 C ATOM 269 CZ TYR A 18 -7.510 -2.935 -3.873 1.00 0.00 C ATOM 270 OH TYR A 18 -8.877 -3.000 -3.698 1.00 0.00 O ATOM 0 H TYR A 18 -2.967 -5.259 -4.167 1.00 0.00 H new ATOM 0 HA TYR A 18 -3.531 -3.645 -6.438 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -2.770 -3.036 -3.574 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -3.000 -1.764 -4.757 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -4.687 -4.393 -2.813 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -5.201 -1.278 -5.652 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -7.110 -4.494 -2.475 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -7.623 -1.362 -5.310 1.00 0.00 H new ATOM 0 HH TYR A 18 -9.207 -2.136 -3.375 1.00 0.00 H new ATOM 280 N LEU A 19 -0.420 -3.848 -5.514 1.00 0.00 N ATOM 281 CA LEU A 19 0.933 -3.528 -5.946 1.00 0.00 C ATOM 282 C LEU A 19 1.253 -4.163 -7.308 1.00 0.00 C ATOM 283 O LEU A 19 2.186 -3.756 -7.987 1.00 0.00 O ATOM 284 CB LEU A 19 1.969 -3.918 -4.876 1.00 0.00 C ATOM 285 CG LEU A 19 1.898 -3.147 -3.536 1.00 0.00 C ATOM 286 CD1 LEU A 19 2.911 -3.703 -2.558 1.00 0.00 C ATOM 287 CD2 LEU A 19 2.146 -1.658 -3.751 1.00 0.00 C ATOM 0 H LEU A 19 -0.475 -4.486 -4.720 1.00 0.00 H new ATOM 0 HA LEU A 19 0.992 -2.447 -6.074 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.858 -4.981 -4.665 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.964 -3.779 -5.298 1.00 0.00 H new ATOM 0 HG LEU A 19 0.897 -3.274 -3.124 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.851 -3.152 -1.619 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.699 -4.756 -2.375 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.913 -3.601 -2.975 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.091 -1.138 -2.795 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.135 -1.513 -4.186 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.390 -1.257 -4.426 1.00 0.00 H new ATOM 299 N GLU A 20 0.446 -5.151 -7.706 1.00 0.00 N ATOM 300 CA GLU A 20 0.577 -5.790 -9.019 1.00 0.00 C ATOM 301 C GLU A 20 0.075 -4.875 -10.125 1.00 0.00 C ATOM 302 O GLU A 20 0.489 -4.993 -11.276 1.00 0.00 O ATOM 303 CB GLU A 20 -0.180 -7.122 -9.053 1.00 0.00 C ATOM 304 CG GLU A 20 0.667 -8.341 -8.731 1.00 0.00 C ATOM 305 CD GLU A 20 1.546 -8.739 -9.890 1.00 0.00 C ATOM 306 OE1 GLU A 20 2.512 -8.039 -10.196 1.00 0.00 O ATOM 307 OE2 GLU A 20 1.264 -9.771 -10.537 1.00 0.00 O ATOM 0 H GLU A 20 -0.310 -5.528 -7.134 1.00 0.00 H new ATOM 0 HA GLU A 20 1.636 -5.985 -9.188 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.006 -7.073 -8.344 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.617 -7.251 -10.043 1.00 0.00 H new ATOM 0 HG2 GLU A 20 1.288 -8.131 -7.860 1.00 0.00 H new ATOM 0 HG3 GLU A 20 0.017 -9.175 -8.466 1.00 0.00 H new ATOM 314 N GLU A 21 -0.796 -3.944 -9.768 1.00 0.00 N ATOM 315 CA GLU A 21 -1.358 -3.017 -10.733 1.00 0.00 C ATOM 316 C GLU A 21 -0.541 -1.719 -10.786 1.00 0.00 C ATOM 317 O GLU A 21 -0.981 -0.701 -11.348 1.00 0.00 O ATOM 318 CB GLU A 21 -2.859 -2.759 -10.462 1.00 0.00 C ATOM 319 CG GLU A 21 -3.715 -4.019 -10.615 1.00 0.00 C ATOM 320 CD GLU A 21 -5.218 -3.781 -10.544 1.00 0.00 C ATOM 321 OE1 GLU A 21 -5.822 -3.327 -11.548 1.00 0.00 O ATOM 322 OE2 GLU A 21 -5.837 -4.095 -9.523 1.00 0.00 O ATOM 0 H GLU A 21 -1.129 -3.812 -8.813 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.296 -3.475 -11.720 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.979 -2.364 -9.453 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.221 -1.994 -11.149 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.480 -4.487 -11.571 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.436 -4.728 -9.835 1.00 0.00 H new ATOM 329 N LEU A 22 0.656 -1.774 -10.219 1.00 0.00 N ATOM 330 CA LEU A 22 1.592 -0.672 -10.267 1.00 0.00 C ATOM 331 C LEU A 22 2.718 -1.017 -11.208 1.00 0.00 C ATOM 332 O LEU A 22 3.321 -2.090 -11.092 1.00 0.00 O ATOM 333 CB LEU A 22 2.190 -0.365 -8.892 1.00 0.00 C ATOM 334 CG LEU A 22 1.251 0.133 -7.811 1.00 0.00 C ATOM 335 CD1 LEU A 22 2.046 0.503 -6.584 1.00 0.00 C ATOM 336 CD2 LEU A 22 0.456 1.323 -8.289 1.00 0.00 C ATOM 0 H LEU A 22 1.001 -2.589 -9.712 1.00 0.00 H new ATOM 0 HA LEU A 22 1.046 0.207 -10.609 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.672 -1.271 -8.526 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.973 0.381 -9.026 1.00 0.00 H new ATOM 0 HG LEU A 22 0.550 -0.665 -7.566 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.370 0.861 -5.807 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.584 -0.373 -6.222 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.759 1.289 -6.835 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.209 1.659 -7.494 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.137 2.131 -8.559 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.135 1.040 -9.160 1.00 0.00 H new ATOM 348 N GLU A 23 3.006 -0.132 -12.132 1.00 0.00 N ATOM 349 CA GLU A 23 4.085 -0.354 -13.068 1.00 0.00 C ATOM 350 C GLU A 23 5.425 0.027 -12.430 1.00 0.00 C ATOM 351 O GLU A 23 5.471 0.422 -11.247 1.00 0.00 O ATOM 352 CB GLU A 23 3.867 0.436 -14.357 1.00 0.00 C ATOM 353 CG GLU A 23 3.903 1.932 -14.183 1.00 0.00 C ATOM 354 CD GLU A 23 3.913 2.655 -15.494 1.00 0.00 C ATOM 355 OE1 GLU A 23 4.999 2.886 -16.040 1.00 0.00 O ATOM 356 OE2 GLU A 23 2.845 3.005 -15.997 1.00 0.00 O ATOM 0 H GLU A 23 2.509 0.750 -12.257 1.00 0.00 H new ATOM 0 HA GLU A 23 4.102 -1.414 -13.322 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.631 0.148 -15.079 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.904 0.155 -14.783 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.037 2.249 -13.602 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.789 2.208 -13.611 1.00 0.00 H new ATOM 363 N ALA A 24 6.493 -0.045 -13.227 1.00 0.00 N ATOM 364 CA ALA A 24 7.853 0.233 -12.785 1.00 0.00 C ATOM 365 C ALA A 24 7.968 1.575 -12.078 1.00 0.00 C ATOM 366 O ALA A 24 8.454 1.639 -10.946 1.00 0.00 O ATOM 367 CB ALA A 24 8.811 0.183 -13.957 1.00 0.00 C ATOM 0 H ALA A 24 6.432 -0.302 -14.212 1.00 0.00 H new ATOM 0 HA ALA A 24 8.118 -0.541 -12.065 1.00 0.00 H new ATOM 0 HB1 ALA A 24 9.823 0.393 -13.609 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.781 -0.808 -14.409 1.00 0.00 H new ATOM 0 HB3 ALA A 24 8.520 0.928 -14.697 1.00 0.00 H new ATOM 373 N VAL A 25 7.489 2.636 -12.722 1.00 0.00 N ATOM 374 CA VAL A 25 7.582 3.971 -12.143 1.00 0.00 C ATOM 375 C VAL A 25 6.737 4.100 -10.874 1.00 0.00 C ATOM 376 O VAL A 25 7.153 4.731 -9.906 1.00 0.00 O ATOM 377 CB VAL A 25 7.224 5.109 -13.154 1.00 0.00 C ATOM 378 CG1 VAL A 25 5.798 5.006 -13.641 1.00 0.00 C ATOM 379 CG2 VAL A 25 7.430 6.459 -12.522 1.00 0.00 C ATOM 0 H VAL A 25 7.037 2.598 -13.636 1.00 0.00 H new ATOM 0 HA VAL A 25 8.631 4.100 -11.877 1.00 0.00 H new ATOM 0 HB VAL A 25 7.889 4.993 -14.010 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.593 5.816 -14.341 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.653 4.049 -14.141 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.118 5.079 -12.793 1.00 0.00 H new ATOM 0 HG21 VAL A 25 7.176 7.239 -13.240 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.790 6.551 -11.644 1.00 0.00 H new ATOM 0 HG23 VAL A 25 8.473 6.566 -12.224 1.00 0.00 H new ATOM 389 N GLU A 26 5.587 3.456 -10.859 1.00 0.00 N ATOM 390 CA GLU A 26 4.694 3.537 -9.724 1.00 0.00 C ATOM 391 C GLU A 26 5.355 2.899 -8.504 1.00 0.00 C ATOM 392 O GLU A 26 5.392 3.492 -7.428 1.00 0.00 O ATOM 393 CB GLU A 26 3.385 2.852 -10.045 1.00 0.00 C ATOM 394 CG GLU A 26 2.662 3.410 -11.266 1.00 0.00 C ATOM 395 CD GLU A 26 2.072 4.783 -11.068 1.00 0.00 C ATOM 396 OE1 GLU A 26 0.961 4.907 -10.513 1.00 0.00 O ATOM 397 OE2 GLU A 26 2.681 5.761 -11.514 1.00 0.00 O ATOM 0 H GLU A 26 5.250 2.870 -11.623 1.00 0.00 H new ATOM 0 HA GLU A 26 4.486 4.583 -9.500 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.575 1.791 -10.204 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.726 2.932 -9.180 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.361 3.445 -12.102 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.864 2.722 -11.546 1.00 0.00 H new ATOM 404 N LEU A 27 5.934 1.721 -8.707 1.00 0.00 N ATOM 405 CA LEU A 27 6.648 1.014 -7.644 1.00 0.00 C ATOM 406 C LEU A 27 7.885 1.797 -7.212 1.00 0.00 C ATOM 407 O LEU A 27 8.227 1.831 -6.035 1.00 0.00 O ATOM 408 CB LEU A 27 7.048 -0.402 -8.094 1.00 0.00 C ATOM 409 CG LEU A 27 5.905 -1.392 -8.355 1.00 0.00 C ATOM 410 CD1 LEU A 27 6.450 -2.685 -8.939 1.00 0.00 C ATOM 411 CD2 LEU A 27 5.149 -1.689 -7.066 1.00 0.00 C ATOM 0 H LEU A 27 5.924 1.231 -9.602 1.00 0.00 H new ATOM 0 HA LEU A 27 5.974 0.926 -6.792 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.637 -0.315 -9.007 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.701 -0.829 -7.333 1.00 0.00 H new ATOM 0 HG LEU A 27 5.218 -0.939 -9.070 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.628 -3.378 -9.119 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.959 -2.473 -9.879 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.155 -3.132 -8.238 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.342 -2.393 -7.271 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.832 -2.123 -6.335 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.731 -0.764 -6.668 1.00 0.00 H new ATOM 423 N LYS A 28 8.518 2.443 -8.182 1.00 0.00 N ATOM 424 CA LYS A 28 9.712 3.255 -7.971 1.00 0.00 C ATOM 425 C LYS A 28 9.386 4.386 -6.990 1.00 0.00 C ATOM 426 O LYS A 28 10.096 4.603 -6.011 1.00 0.00 O ATOM 427 CB LYS A 28 10.175 3.793 -9.360 1.00 0.00 C ATOM 428 CG LYS A 28 11.510 4.542 -9.449 1.00 0.00 C ATOM 429 CD LYS A 28 11.447 5.952 -8.884 1.00 0.00 C ATOM 430 CE LYS A 28 12.720 6.719 -9.182 1.00 0.00 C ATOM 431 NZ LYS A 28 13.927 6.036 -8.678 1.00 0.00 N ATOM 0 H LYS A 28 8.212 2.418 -9.155 1.00 0.00 H new ATOM 0 HA LYS A 28 10.524 2.673 -7.535 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.225 2.945 -10.043 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.397 4.458 -9.734 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.272 3.977 -8.913 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.823 4.590 -10.492 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.593 6.479 -9.310 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.289 5.908 -7.806 1.00 0.00 H new ATOM 0 HE2 LYS A 28 12.810 6.860 -10.259 1.00 0.00 H new ATOM 0 HE3 LYS A 28 12.655 7.711 -8.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 14.741 6.680 -8.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 13.780 5.757 -7.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 14.112 5.189 -9.252 1.00 0.00 H new ATOM 445 N LYS A 29 8.280 5.049 -7.240 1.00 0.00 N ATOM 446 CA LYS A 29 7.836 6.167 -6.420 1.00 0.00 C ATOM 447 C LYS A 29 7.428 5.679 -5.043 1.00 0.00 C ATOM 448 O LYS A 29 7.811 6.248 -4.017 1.00 0.00 O ATOM 449 CB LYS A 29 6.652 6.850 -7.091 1.00 0.00 C ATOM 450 CG LYS A 29 7.000 7.513 -8.427 1.00 0.00 C ATOM 451 CD LYS A 29 5.804 8.208 -9.082 1.00 0.00 C ATOM 452 CE LYS A 29 4.762 7.217 -9.570 1.00 0.00 C ATOM 453 NZ LYS A 29 3.654 7.880 -10.290 1.00 0.00 N ATOM 0 H LYS A 29 7.657 4.832 -8.018 1.00 0.00 H new ATOM 0 HA LYS A 29 8.657 6.876 -6.314 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.865 6.114 -7.255 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.248 7.604 -6.415 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.794 8.243 -8.268 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.392 6.759 -9.109 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.346 8.891 -8.367 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.151 8.811 -9.921 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.236 6.489 -10.228 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.362 6.665 -8.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.336 7.273 -11.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.863 8.043 -9.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.982 8.791 -10.670 1.00 0.00 H new ATOM 467 N PHE A 30 6.676 4.610 -5.044 1.00 0.00 N ATOM 468 CA PHE A 30 6.158 3.996 -3.848 1.00 0.00 C ATOM 469 C PHE A 30 7.259 3.550 -2.870 1.00 0.00 C ATOM 470 O PHE A 30 7.192 3.845 -1.669 1.00 0.00 O ATOM 471 CB PHE A 30 5.174 2.863 -4.248 1.00 0.00 C ATOM 472 CG PHE A 30 5.209 1.601 -3.441 1.00 0.00 C ATOM 473 CD1 PHE A 30 4.504 1.464 -2.256 1.00 0.00 C ATOM 474 CD2 PHE A 30 5.941 0.533 -3.901 1.00 0.00 C ATOM 475 CE1 PHE A 30 4.544 0.288 -1.556 1.00 0.00 C ATOM 476 CE2 PHE A 30 5.985 -0.649 -3.204 1.00 0.00 C ATOM 477 CZ PHE A 30 5.285 -0.774 -2.029 1.00 0.00 C ATOM 0 H PHE A 30 6.399 4.129 -5.900 1.00 0.00 H new ATOM 0 HA PHE A 30 5.603 4.742 -3.279 1.00 0.00 H new ATOM 0 HB2 PHE A 30 4.162 3.264 -4.201 1.00 0.00 H new ATOM 0 HB3 PHE A 30 5.366 2.602 -5.289 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.919 2.291 -1.882 1.00 0.00 H new ATOM 0 HD2 PHE A 30 6.491 0.625 -4.826 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.994 0.192 -0.631 1.00 0.00 H new ATOM 0 HE2 PHE A 30 6.568 -1.478 -3.578 1.00 0.00 H new ATOM 0 HZ PHE A 30 5.315 -1.702 -1.477 1.00 0.00 H new ATOM 487 N LYS A 31 8.285 2.905 -3.381 1.00 0.00 N ATOM 488 CA LYS A 31 9.337 2.377 -2.528 1.00 0.00 C ATOM 489 C LYS A 31 10.221 3.476 -1.959 1.00 0.00 C ATOM 490 O LYS A 31 10.779 3.325 -0.878 1.00 0.00 O ATOM 491 CB LYS A 31 10.167 1.313 -3.254 1.00 0.00 C ATOM 492 CG LYS A 31 11.024 1.828 -4.409 1.00 0.00 C ATOM 493 CD LYS A 31 11.689 0.679 -5.136 1.00 0.00 C ATOM 494 CE LYS A 31 12.682 1.150 -6.175 1.00 0.00 C ATOM 495 NZ LYS A 31 13.270 0.010 -6.908 1.00 0.00 N ATOM 0 H LYS A 31 8.417 2.732 -4.378 1.00 0.00 H new ATOM 0 HA LYS A 31 8.846 1.895 -1.683 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.819 0.827 -2.528 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.491 0.548 -3.638 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.404 2.394 -5.104 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.783 2.512 -4.029 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.199 0.042 -4.413 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.926 0.068 -5.618 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.187 1.821 -6.877 1.00 0.00 H new ATOM 0 HE3 LYS A 31 13.474 1.722 -5.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 14.193 0.287 -7.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.395 -0.793 -6.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.636 -0.268 -7.684 1.00 0.00 H new ATOM 509 N LEU A 32 10.348 4.585 -2.656 1.00 0.00 N ATOM 510 CA LEU A 32 11.149 5.657 -2.125 1.00 0.00 C ATOM 511 C LEU A 32 10.352 6.422 -1.089 1.00 0.00 C ATOM 512 O LEU A 32 10.899 6.850 -0.065 1.00 0.00 O ATOM 513 CB LEU A 32 11.728 6.567 -3.238 1.00 0.00 C ATOM 514 CG LEU A 32 10.781 7.467 -4.059 1.00 0.00 C ATOM 515 CD1 LEU A 32 10.456 8.774 -3.336 1.00 0.00 C ATOM 516 CD2 LEU A 32 11.393 7.742 -5.410 1.00 0.00 C ATOM 0 H LEU A 32 9.920 4.762 -3.565 1.00 0.00 H new ATOM 0 HA LEU A 32 12.021 5.230 -1.630 1.00 0.00 H new ATOM 0 HB2 LEU A 32 12.472 7.215 -2.775 1.00 0.00 H new ATOM 0 HB3 LEU A 32 12.258 5.924 -3.941 1.00 0.00 H new ATOM 0 HG LEU A 32 9.838 6.936 -4.187 1.00 0.00 H new ATOM 0 HD11 LEU A 32 9.787 9.374 -3.952 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.972 8.553 -2.385 1.00 0.00 H new ATOM 0 HD13 LEU A 32 11.377 9.328 -3.155 1.00 0.00 H new ATOM 0 HD21 LEU A 32 10.724 8.378 -5.990 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.351 8.246 -5.280 1.00 0.00 H new ATOM 0 HD23 LEU A 32 11.547 6.801 -5.938 1.00 0.00 H new ATOM 528 N TYR A 33 9.049 6.526 -1.327 1.00 0.00 N ATOM 529 CA TYR A 33 8.148 7.238 -0.450 1.00 0.00 C ATOM 530 C TYR A 33 8.128 6.630 0.942 1.00 0.00 C ATOM 531 O TYR A 33 8.247 7.340 1.922 1.00 0.00 O ATOM 532 CB TYR A 33 6.722 7.284 -1.035 1.00 0.00 C ATOM 533 CG TYR A 33 5.707 7.948 -0.119 1.00 0.00 C ATOM 534 CD1 TYR A 33 5.024 7.209 0.839 1.00 0.00 C ATOM 535 CD2 TYR A 33 5.459 9.305 -0.192 1.00 0.00 C ATOM 536 CE1 TYR A 33 4.125 7.788 1.691 1.00 0.00 C ATOM 537 CE2 TYR A 33 4.556 9.903 0.670 1.00 0.00 C ATOM 538 CZ TYR A 33 3.893 9.129 1.614 1.00 0.00 C ATOM 539 OH TYR A 33 2.999 9.715 2.495 1.00 0.00 O ATOM 0 H TYR A 33 8.593 6.114 -2.141 1.00 0.00 H new ATOM 0 HA TYR A 33 8.520 8.259 -0.367 1.00 0.00 H new ATOM 0 HB2 TYR A 33 6.745 7.818 -1.985 1.00 0.00 H new ATOM 0 HB3 TYR A 33 6.394 6.267 -1.250 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.208 6.147 0.913 1.00 0.00 H new ATOM 0 HD2 TYR A 33 5.974 9.905 -0.928 1.00 0.00 H new ATOM 0 HE1 TYR A 33 3.602 7.187 2.420 1.00 0.00 H new ATOM 0 HE2 TYR A 33 4.368 10.965 0.609 1.00 0.00 H new ATOM 0 HH TYR A 33 2.126 9.277 2.414 1.00 0.00 H new ATOM 549 N LEU A 34 7.953 5.336 1.025 1.00 0.00 N ATOM 550 CA LEU A 34 7.881 4.689 2.325 1.00 0.00 C ATOM 551 C LEU A 34 9.191 4.078 2.747 1.00 0.00 C ATOM 552 O LEU A 34 9.325 3.581 3.861 1.00 0.00 O ATOM 553 CB LEU A 34 6.735 3.664 2.376 1.00 0.00 C ATOM 554 CG LEU A 34 6.649 2.564 1.291 1.00 0.00 C ATOM 555 CD1 LEU A 34 7.799 1.559 1.352 1.00 0.00 C ATOM 556 CD2 LEU A 34 5.334 1.853 1.427 1.00 0.00 C ATOM 0 H LEU A 34 7.858 4.711 0.225 1.00 0.00 H new ATOM 0 HA LEU A 34 7.663 5.473 3.051 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.786 3.165 3.344 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.798 4.220 2.353 1.00 0.00 H new ATOM 0 HG LEU A 34 6.728 3.054 0.321 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.676 0.816 0.564 1.00 0.00 H new ATOM 0 HD12 LEU A 34 8.746 2.081 1.214 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.797 1.062 2.322 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.261 1.075 0.667 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.265 1.402 2.417 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.520 2.566 1.296 1.00 0.00 H new ATOM 568 N GLY A 35 10.147 4.094 1.870 1.00 0.00 N ATOM 569 CA GLY A 35 11.375 3.478 2.200 1.00 0.00 C ATOM 570 C GLY A 35 12.422 4.460 2.628 1.00 0.00 C ATOM 571 O GLY A 35 12.919 4.393 3.744 1.00 0.00 O ATOM 0 H GLY A 35 10.096 4.518 0.944 1.00 0.00 H new ATOM 0 HA2 GLY A 35 11.211 2.757 3.001 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.739 2.919 1.338 1.00 0.00 H new ATOM 575 N THR A 36 12.720 5.415 1.765 1.00 0.00 N ATOM 576 CA THR A 36 13.767 6.399 2.047 1.00 0.00 C ATOM 577 C THR A 36 13.205 7.595 2.838 1.00 0.00 C ATOM 578 O THR A 36 13.902 8.596 3.073 1.00 0.00 O ATOM 579 CB THR A 36 14.441 6.898 0.727 1.00 0.00 C ATOM 580 OG1 THR A 36 13.488 7.577 -0.123 1.00 0.00 O ATOM 581 CG2 THR A 36 15.026 5.737 -0.060 1.00 0.00 C ATOM 0 H THR A 36 12.257 5.536 0.864 1.00 0.00 H new ATOM 0 HA THR A 36 14.524 5.905 2.657 1.00 0.00 H new ATOM 0 HB THR A 36 15.233 7.587 1.021 1.00 0.00 H new ATOM 0 HG1 THR A 36 12.578 7.386 0.188 1.00 0.00 H new ATOM 0 HG21 THR A 36 15.488 6.112 -0.973 1.00 0.00 H new ATOM 0 HG22 THR A 36 15.777 5.229 0.545 1.00 0.00 H new ATOM 0 HG23 THR A 36 14.233 5.035 -0.317 1.00 0.00 H new ATOM 589 N ALA A 37 11.953 7.444 3.262 1.00 0.00 N ATOM 590 CA ALA A 37 11.169 8.460 3.951 1.00 0.00 C ATOM 591 C ALA A 37 11.889 9.067 5.150 1.00 0.00 C ATOM 592 O ALA A 37 12.217 8.372 6.123 1.00 0.00 O ATOM 593 CB ALA A 37 9.853 7.864 4.400 1.00 0.00 C ATOM 0 H ALA A 37 11.438 6.574 3.128 1.00 0.00 H new ATOM 0 HA ALA A 37 11.005 9.269 3.239 1.00 0.00 H new ATOM 0 HB1 ALA A 37 9.266 8.624 4.916 1.00 0.00 H new ATOM 0 HB2 ALA A 37 9.300 7.506 3.531 1.00 0.00 H new ATOM 0 HB3 ALA A 37 10.043 7.031 5.077 1.00 0.00 H new ATOM 599 N THR A 38 12.078 10.371 5.094 1.00 0.00 N ATOM 600 CA THR A 38 12.728 11.134 6.143 1.00 0.00 C ATOM 601 C THR A 38 11.828 11.158 7.386 1.00 0.00 C ATOM 602 O THR A 38 12.295 11.189 8.526 1.00 0.00 O ATOM 603 CB THR A 38 12.948 12.578 5.648 1.00 0.00 C ATOM 604 OG1 THR A 38 13.491 12.542 4.312 1.00 0.00 O ATOM 605 CG2 THR A 38 13.901 13.342 6.562 1.00 0.00 C ATOM 0 H THR A 38 11.778 10.941 4.303 1.00 0.00 H new ATOM 0 HA THR A 38 13.685 10.677 6.394 1.00 0.00 H new ATOM 0 HB THR A 38 11.987 13.093 5.655 1.00 0.00 H new ATOM 0 HG1 THR A 38 13.631 13.457 3.991 1.00 0.00 H new ATOM 0 HG21 THR A 38 14.034 14.356 6.184 1.00 0.00 H new ATOM 0 HG22 THR A 38 13.486 13.382 7.569 1.00 0.00 H new ATOM 0 HG23 THR A 38 14.866 12.835 6.587 1.00 0.00 H new ATOM 613 N GLU A 39 10.543 11.058 7.130 1.00 0.00 N ATOM 614 CA GLU A 39 9.490 11.099 8.155 1.00 0.00 C ATOM 615 C GLU A 39 9.492 9.868 9.036 1.00 0.00 C ATOM 616 O GLU A 39 8.871 9.844 10.094 1.00 0.00 O ATOM 617 CB GLU A 39 8.156 11.255 7.479 1.00 0.00 C ATOM 618 CG GLU A 39 8.084 12.535 6.712 1.00 0.00 C ATOM 619 CD GLU A 39 6.882 12.639 5.833 1.00 0.00 C ATOM 620 OE1 GLU A 39 5.762 12.810 6.346 1.00 0.00 O ATOM 621 OE2 GLU A 39 7.044 12.563 4.596 1.00 0.00 O ATOM 0 H GLU A 39 10.178 10.943 6.184 1.00 0.00 H new ATOM 0 HA GLU A 39 9.686 11.950 8.807 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.986 10.415 6.806 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.362 11.230 8.226 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.084 13.369 7.413 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.981 12.633 6.100 1.00 0.00 H new ATOM 628 N LEU A 40 10.179 8.853 8.602 1.00 0.00 N ATOM 629 CA LEU A 40 10.296 7.632 9.387 1.00 0.00 C ATOM 630 C LEU A 40 11.496 7.726 10.314 1.00 0.00 C ATOM 631 O LEU A 40 11.684 6.905 11.204 1.00 0.00 O ATOM 632 CB LEU A 40 10.454 6.428 8.478 1.00 0.00 C ATOM 633 CG LEU A 40 9.315 6.150 7.493 1.00 0.00 C ATOM 634 CD1 LEU A 40 9.620 4.921 6.673 1.00 0.00 C ATOM 635 CD2 LEU A 40 7.981 5.981 8.196 1.00 0.00 C ATOM 0 H LEU A 40 10.672 8.834 7.709 1.00 0.00 H new ATOM 0 HA LEU A 40 9.387 7.513 9.977 1.00 0.00 H new ATOM 0 HB2 LEU A 40 11.374 6.553 7.907 1.00 0.00 H new ATOM 0 HB3 LEU A 40 10.585 5.545 9.104 1.00 0.00 H new ATOM 0 HG LEU A 40 9.237 7.017 6.837 1.00 0.00 H new ATOM 0 HD11 LEU A 40 8.802 4.736 5.977 1.00 0.00 H new ATOM 0 HD12 LEU A 40 10.543 5.076 6.114 1.00 0.00 H new ATOM 0 HD13 LEU A 40 9.736 4.062 7.334 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.203 5.786 7.458 1.00 0.00 H new ATOM 0 HD22 LEU A 40 8.040 5.144 8.892 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.741 6.892 8.744 1.00 0.00 H new ATOM 647 N GLY A 41 12.297 8.720 10.071 1.00 0.00 N ATOM 648 CA GLY A 41 13.502 8.951 10.825 1.00 0.00 C ATOM 649 C GLY A 41 14.699 8.733 9.944 1.00 0.00 C ATOM 650 O GLY A 41 15.484 9.648 9.681 1.00 0.00 O ATOM 0 H GLY A 41 12.133 9.406 9.334 1.00 0.00 H new ATOM 0 HA2 GLY A 41 13.508 9.968 11.218 1.00 0.00 H new ATOM 0 HA3 GLY A 41 13.541 8.278 11.682 1.00 0.00 H new ATOM 654 N GLU A 42 14.804 7.541 9.465 1.00 0.00 N ATOM 655 CA GLU A 42 15.841 7.121 8.554 1.00 0.00 C ATOM 656 C GLU A 42 15.159 6.395 7.419 1.00 0.00 C ATOM 657 O GLU A 42 15.408 6.658 6.236 1.00 0.00 O ATOM 658 CB GLU A 42 16.801 6.156 9.272 1.00 0.00 C ATOM 659 CG GLU A 42 17.985 5.693 8.441 1.00 0.00 C ATOM 660 CD GLU A 42 18.916 6.816 8.109 1.00 0.00 C ATOM 661 OE1 GLU A 42 19.597 7.316 9.037 1.00 0.00 O ATOM 662 OE2 GLU A 42 18.980 7.234 6.948 1.00 0.00 O ATOM 0 H GLU A 42 14.149 6.795 9.700 1.00 0.00 H new ATOM 0 HA GLU A 42 16.413 7.975 8.192 1.00 0.00 H new ATOM 0 HB2 GLU A 42 17.176 6.643 10.172 1.00 0.00 H new ATOM 0 HB3 GLU A 42 16.238 5.280 9.595 1.00 0.00 H new ATOM 0 HG2 GLU A 42 18.529 4.921 8.985 1.00 0.00 H new ATOM 0 HG3 GLU A 42 17.624 5.238 7.519 1.00 0.00 H new ATOM 669 N GLY A 43 14.277 5.507 7.800 1.00 0.00 N ATOM 670 CA GLY A 43 13.559 4.726 6.888 1.00 0.00 C ATOM 671 C GLY A 43 13.479 3.328 7.401 1.00 0.00 C ATOM 672 O GLY A 43 14.488 2.767 7.835 1.00 0.00 O ATOM 0 H GLY A 43 14.050 5.320 8.777 1.00 0.00 H new ATOM 0 HA2 GLY A 43 12.558 5.134 6.750 1.00 0.00 H new ATOM 0 HA3 GLY A 43 14.047 4.742 5.913 1.00 0.00 H new ATOM 676 N LYS A 44 12.278 2.791 7.452 1.00 0.00 N ATOM 677 CA LYS A 44 12.083 1.392 7.824 1.00 0.00 C ATOM 678 C LYS A 44 12.746 0.491 6.807 1.00 0.00 C ATOM 679 O LYS A 44 13.251 -0.582 7.140 1.00 0.00 O ATOM 680 CB LYS A 44 10.590 1.021 7.947 1.00 0.00 C ATOM 681 CG LYS A 44 10.038 1.033 9.369 1.00 0.00 C ATOM 682 CD LYS A 44 10.013 2.415 9.992 1.00 0.00 C ATOM 683 CE LYS A 44 9.622 2.349 11.472 1.00 0.00 C ATOM 684 NZ LYS A 44 8.308 1.705 11.703 1.00 0.00 N ATOM 0 H LYS A 44 11.417 3.296 7.242 1.00 0.00 H new ATOM 0 HA LYS A 44 12.540 1.252 8.804 1.00 0.00 H new ATOM 0 HB2 LYS A 44 10.007 1.715 7.341 1.00 0.00 H new ATOM 0 HB3 LYS A 44 10.442 0.027 7.524 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.026 0.627 9.362 1.00 0.00 H new ATOM 0 HG3 LYS A 44 10.642 0.373 9.991 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.994 2.879 9.893 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.306 3.046 9.454 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.389 1.800 12.019 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.600 3.359 11.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 8.048 1.797 12.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.586 2.168 11.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.366 0.698 11.452 1.00 0.00 H new ATOM 698 N ILE A 45 12.755 0.951 5.585 1.00 0.00 N ATOM 699 CA ILE A 45 13.350 0.239 4.502 1.00 0.00 C ATOM 700 C ILE A 45 14.755 0.793 4.284 1.00 0.00 C ATOM 701 O ILE A 45 14.930 2.018 4.169 1.00 0.00 O ATOM 702 CB ILE A 45 12.537 0.442 3.199 1.00 0.00 C ATOM 703 CG1 ILE A 45 11.051 0.081 3.392 1.00 0.00 C ATOM 704 CG2 ILE A 45 13.138 -0.364 2.061 1.00 0.00 C ATOM 705 CD1 ILE A 45 10.800 -1.366 3.736 1.00 0.00 C ATOM 0 H ILE A 45 12.342 1.844 5.317 1.00 0.00 H new ATOM 0 HA ILE A 45 13.373 -0.824 4.742 1.00 0.00 H new ATOM 0 HB ILE A 45 12.588 1.500 2.943 1.00 0.00 H new ATOM 0 HG12 ILE A 45 10.638 0.707 4.183 1.00 0.00 H new ATOM 0 HG13 ILE A 45 10.509 0.324 2.478 1.00 0.00 H new ATOM 0 HG21 ILE A 45 12.552 -0.207 1.155 1.00 0.00 H new ATOM 0 HG22 ILE A 45 14.165 -0.041 1.889 1.00 0.00 H new ATOM 0 HG23 ILE A 45 13.129 -1.423 2.320 1.00 0.00 H new ATOM 0 HD11 ILE A 45 9.729 -1.531 3.854 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.179 -2.001 2.936 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.310 -1.612 4.667 1.00 0.00 H new ATOM 717 N PRO A 46 15.772 -0.069 4.264 1.00 0.00 N ATOM 718 CA PRO A 46 17.135 0.357 4.003 1.00 0.00 C ATOM 719 C PRO A 46 17.329 0.795 2.542 1.00 0.00 C ATOM 720 O PRO A 46 16.493 0.504 1.669 1.00 0.00 O ATOM 721 CB PRO A 46 17.967 -0.887 4.310 1.00 0.00 C ATOM 722 CG PRO A 46 17.033 -2.010 4.087 1.00 0.00 C ATOM 723 CD PRO A 46 15.685 -1.517 4.512 1.00 0.00 C ATOM 0 HA PRO A 46 17.417 1.223 4.602 1.00 0.00 H new ATOM 0 HB2 PRO A 46 18.837 -0.956 3.656 1.00 0.00 H new ATOM 0 HB3 PRO A 46 18.339 -0.875 5.335 1.00 0.00 H new ATOM 0 HG2 PRO A 46 17.026 -2.309 3.039 1.00 0.00 H new ATOM 0 HG3 PRO A 46 17.329 -2.884 4.666 1.00 0.00 H new ATOM 0 HD2 PRO A 46 14.885 -1.979 3.933 1.00 0.00 H new ATOM 0 HD3 PRO A 46 15.487 -1.736 5.561 1.00 0.00 H new ATOM 731 N TRP A 47 18.458 1.437 2.306 1.00 0.00 N ATOM 732 CA TRP A 47 18.876 2.050 1.034 1.00 0.00 C ATOM 733 C TRP A 47 18.515 1.265 -0.251 1.00 0.00 C ATOM 734 O TRP A 47 18.138 1.874 -1.259 1.00 0.00 O ATOM 735 CB TRP A 47 20.393 2.335 1.071 1.00 0.00 C ATOM 736 CG TRP A 47 21.265 1.110 1.246 1.00 0.00 C ATOM 737 CD1 TRP A 47 21.870 0.394 0.253 1.00 0.00 C ATOM 738 CD2 TRP A 47 21.631 0.462 2.481 1.00 0.00 C ATOM 739 NE1 TRP A 47 22.569 -0.654 0.787 1.00 0.00 N ATOM 740 CE2 TRP A 47 22.446 -0.634 2.148 1.00 0.00 C ATOM 741 CE3 TRP A 47 21.349 0.701 3.828 1.00 0.00 C ATOM 742 CZ2 TRP A 47 22.980 -1.487 3.110 1.00 0.00 C ATOM 743 CZ3 TRP A 47 21.879 -0.145 4.781 1.00 0.00 C ATOM 744 CH2 TRP A 47 22.688 -1.227 4.418 1.00 0.00 C ATOM 0 H TRP A 47 19.160 1.558 3.036 1.00 0.00 H new ATOM 0 HA TRP A 47 18.296 2.970 0.962 1.00 0.00 H new ATOM 0 HB2 TRP A 47 20.677 2.837 0.146 1.00 0.00 H new ATOM 0 HB3 TRP A 47 20.598 3.029 1.886 1.00 0.00 H new ATOM 0 HD1 TRP A 47 21.806 0.622 -0.801 1.00 0.00 H new ATOM 0 HE1 TRP A 47 23.099 -1.343 0.253 1.00 0.00 H new ATOM 0 HE3 TRP A 47 20.726 1.534 4.119 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 23.603 -2.324 2.832 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 21.666 0.031 5.825 1.00 0.00 H new ATOM 0 HH2 TRP A 47 23.090 -1.869 5.188 1.00 0.00 H new ATOM 755 N GLY A 48 18.629 -0.052 -0.240 1.00 0.00 N ATOM 756 CA GLY A 48 18.359 -0.771 -1.455 1.00 0.00 C ATOM 757 C GLY A 48 17.917 -2.187 -1.256 1.00 0.00 C ATOM 758 O GLY A 48 18.391 -3.078 -1.945 1.00 0.00 O ATOM 0 H GLY A 48 18.896 -0.619 0.565 1.00 0.00 H new ATOM 0 HA2 GLY A 48 17.589 -0.239 -2.013 1.00 0.00 H new ATOM 0 HA3 GLY A 48 19.258 -0.768 -2.071 1.00 0.00 H new ATOM 762 N SER A 49 17.019 -2.427 -0.331 1.00 0.00 N ATOM 763 CA SER A 49 16.503 -3.775 -0.166 1.00 0.00 C ATOM 764 C SER A 49 15.416 -4.032 -1.206 1.00 0.00 C ATOM 765 O SER A 49 15.146 -5.164 -1.596 1.00 0.00 O ATOM 766 CB SER A 49 15.966 -3.965 1.246 1.00 0.00 C ATOM 767 OG SER A 49 15.052 -2.933 1.566 1.00 0.00 O ATOM 0 H SER A 49 16.635 -1.730 0.307 1.00 0.00 H new ATOM 0 HA SER A 49 17.308 -4.495 -0.316 1.00 0.00 H new ATOM 0 HB2 SER A 49 15.474 -4.934 1.328 1.00 0.00 H new ATOM 0 HB3 SER A 49 16.790 -3.964 1.959 1.00 0.00 H new ATOM 0 HG SER A 49 14.233 -3.047 1.040 1.00 0.00 H new ATOM 773 N MET A 50 14.845 -2.954 -1.681 1.00 0.00 N ATOM 774 CA MET A 50 13.783 -2.979 -2.660 1.00 0.00 C ATOM 775 C MET A 50 14.270 -2.492 -4.017 1.00 0.00 C ATOM 776 O MET A 50 13.480 -2.048 -4.854 1.00 0.00 O ATOM 777 CB MET A 50 12.575 -2.165 -2.166 1.00 0.00 C ATOM 778 CG MET A 50 12.898 -0.862 -1.427 1.00 0.00 C ATOM 779 SD MET A 50 13.931 0.291 -2.352 1.00 0.00 S ATOM 780 CE MET A 50 14.026 1.660 -1.192 1.00 0.00 C ATOM 0 H MET A 50 15.110 -2.012 -1.392 1.00 0.00 H new ATOM 0 HA MET A 50 13.461 -4.013 -2.788 1.00 0.00 H new ATOM 0 HB2 MET A 50 11.948 -1.926 -3.025 1.00 0.00 H new ATOM 0 HB3 MET A 50 11.983 -2.797 -1.504 1.00 0.00 H new ATOM 0 HG2 MET A 50 11.963 -0.365 -1.169 1.00 0.00 H new ATOM 0 HG3 MET A 50 13.398 -1.106 -0.490 1.00 0.00 H new ATOM 0 HE1 MET A 50 14.634 2.457 -1.619 1.00 0.00 H new ATOM 0 HE2 MET A 50 13.023 2.037 -0.991 1.00 0.00 H new ATOM 0 HE3 MET A 50 14.479 1.318 -0.261 1.00 0.00 H new ATOM 790 N GLU A 51 15.563 -2.657 -4.244 1.00 0.00 N ATOM 791 CA GLU A 51 16.222 -2.215 -5.464 1.00 0.00 C ATOM 792 C GLU A 51 15.544 -2.838 -6.698 1.00 0.00 C ATOM 793 O GLU A 51 15.102 -2.127 -7.594 1.00 0.00 O ATOM 794 CB GLU A 51 17.702 -2.614 -5.423 1.00 0.00 C ATOM 795 CG GLU A 51 18.672 -1.495 -5.773 1.00 0.00 C ATOM 796 CD GLU A 51 18.408 -0.882 -7.120 1.00 0.00 C ATOM 797 OE1 GLU A 51 18.847 -1.439 -8.142 1.00 0.00 O ATOM 798 OE2 GLU A 51 17.757 0.158 -7.183 1.00 0.00 O ATOM 0 H GLU A 51 16.192 -3.107 -3.579 1.00 0.00 H new ATOM 0 HA GLU A 51 16.141 -1.130 -5.535 1.00 0.00 H new ATOM 0 HB2 GLU A 51 17.938 -2.982 -4.424 1.00 0.00 H new ATOM 0 HB3 GLU A 51 17.860 -3.443 -6.113 1.00 0.00 H new ATOM 0 HG2 GLU A 51 18.612 -0.719 -5.010 1.00 0.00 H new ATOM 0 HG3 GLU A 51 19.690 -1.885 -5.752 1.00 0.00 H new ATOM 805 N LYS A 52 15.418 -4.151 -6.696 1.00 0.00 N ATOM 806 CA LYS A 52 14.811 -4.881 -7.810 1.00 0.00 C ATOM 807 C LYS A 52 13.551 -5.610 -7.349 1.00 0.00 C ATOM 808 O LYS A 52 13.095 -6.553 -7.996 1.00 0.00 O ATOM 809 CB LYS A 52 15.795 -5.919 -8.361 1.00 0.00 C ATOM 810 CG LYS A 52 17.130 -5.373 -8.846 1.00 0.00 C ATOM 811 CD LYS A 52 16.972 -4.325 -9.933 1.00 0.00 C ATOM 812 CE LYS A 52 18.314 -3.990 -10.560 1.00 0.00 C ATOM 813 NZ LYS A 52 19.325 -3.586 -9.558 1.00 0.00 N ATOM 0 H LYS A 52 15.730 -4.747 -5.929 1.00 0.00 H new ATOM 0 HA LYS A 52 14.556 -4.158 -8.585 1.00 0.00 H new ATOM 0 HB2 LYS A 52 15.987 -6.659 -7.584 1.00 0.00 H new ATOM 0 HB3 LYS A 52 15.316 -6.443 -9.188 1.00 0.00 H new ATOM 0 HG2 LYS A 52 17.668 -4.939 -8.004 1.00 0.00 H new ATOM 0 HG3 LYS A 52 17.739 -6.194 -9.224 1.00 0.00 H new ATOM 0 HD2 LYS A 52 16.289 -4.690 -10.700 1.00 0.00 H new ATOM 0 HD3 LYS A 52 16.527 -3.423 -9.513 1.00 0.00 H new ATOM 0 HE2 LYS A 52 18.680 -4.856 -11.111 1.00 0.00 H new ATOM 0 HE3 LYS A 52 18.182 -3.185 -11.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 20.135 -3.146 -10.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 18.904 -2.904 -8.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 19.648 -4.424 -9.034 1.00 0.00 H new ATOM 827 N ALA A 53 12.984 -5.163 -6.255 1.00 0.00 N ATOM 828 CA ALA A 53 11.827 -5.827 -5.677 1.00 0.00 C ATOM 829 C ALA A 53 10.551 -5.518 -6.452 1.00 0.00 C ATOM 830 O ALA A 53 10.322 -4.373 -6.885 1.00 0.00 O ATOM 831 CB ALA A 53 11.670 -5.450 -4.214 1.00 0.00 C ATOM 0 H ALA A 53 13.301 -4.341 -5.741 1.00 0.00 H new ATOM 0 HA ALA A 53 11.998 -6.901 -5.745 1.00 0.00 H new ATOM 0 HB1 ALA A 53 10.799 -5.957 -3.799 1.00 0.00 H new ATOM 0 HB2 ALA A 53 12.561 -5.751 -3.663 1.00 0.00 H new ATOM 0 HB3 ALA A 53 11.537 -4.372 -4.128 1.00 0.00 H new ATOM 837 N GLY A 54 9.748 -6.529 -6.650 1.00 0.00 N ATOM 838 CA GLY A 54 8.495 -6.380 -7.291 1.00 0.00 C ATOM 839 C GLY A 54 7.367 -6.495 -6.301 1.00 0.00 C ATOM 840 O GLY A 54 7.612 -6.564 -5.107 1.00 0.00 O ATOM 0 H GLY A 54 9.960 -7.485 -6.363 1.00 0.00 H new ATOM 0 HA2 GLY A 54 8.450 -5.411 -7.789 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.385 -7.141 -8.064 1.00 0.00 H new ATOM 844 N PRO A 55 6.133 -6.585 -6.782 1.00 0.00 N ATOM 845 CA PRO A 55 4.907 -6.572 -5.953 1.00 0.00 C ATOM 846 C PRO A 55 4.896 -7.601 -4.818 1.00 0.00 C ATOM 847 O PRO A 55 4.500 -7.284 -3.698 1.00 0.00 O ATOM 848 CB PRO A 55 3.801 -6.889 -6.956 1.00 0.00 C ATOM 849 CG PRO A 55 4.354 -6.457 -8.263 1.00 0.00 C ATOM 850 CD PRO A 55 5.823 -6.736 -8.201 1.00 0.00 C ATOM 0 HA PRO A 55 4.803 -5.616 -5.440 1.00 0.00 H new ATOM 0 HB2 PRO A 55 3.559 -7.952 -6.958 1.00 0.00 H new ATOM 0 HB3 PRO A 55 2.882 -6.354 -6.717 1.00 0.00 H new ATOM 0 HG2 PRO A 55 3.887 -7.002 -9.084 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.165 -5.398 -8.436 1.00 0.00 H new ATOM 0 HD2 PRO A 55 6.058 -7.738 -8.560 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.392 -6.037 -8.814 1.00 0.00 H new ATOM 858 N LEU A 56 5.357 -8.808 -5.096 1.00 0.00 N ATOM 859 CA LEU A 56 5.336 -9.875 -4.093 1.00 0.00 C ATOM 860 C LEU A 56 6.391 -9.612 -3.043 1.00 0.00 C ATOM 861 O LEU A 56 6.136 -9.722 -1.844 1.00 0.00 O ATOM 862 CB LEU A 56 5.531 -11.282 -4.720 1.00 0.00 C ATOM 863 CG LEU A 56 4.416 -11.826 -5.657 1.00 0.00 C ATOM 864 CD1 LEU A 56 3.052 -11.795 -4.986 1.00 0.00 C ATOM 865 CD2 LEU A 56 4.386 -11.110 -7.001 1.00 0.00 C ATOM 0 H LEU A 56 5.749 -9.079 -5.998 1.00 0.00 H new ATOM 0 HA LEU A 56 4.350 -9.871 -3.629 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.464 -11.270 -5.284 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.660 -11.995 -3.906 1.00 0.00 H new ATOM 0 HG LEU A 56 4.664 -12.868 -5.857 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.300 -12.183 -5.673 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.075 -12.411 -4.087 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.802 -10.769 -4.716 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.590 -11.527 -7.618 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.203 -10.047 -6.843 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.343 -11.243 -7.505 1.00 0.00 H new ATOM 877 N GLU A 57 7.549 -9.206 -3.498 1.00 0.00 N ATOM 878 CA GLU A 57 8.664 -8.895 -2.621 1.00 0.00 C ATOM 879 C GLU A 57 8.338 -7.673 -1.775 1.00 0.00 C ATOM 880 O GLU A 57 8.587 -7.661 -0.590 1.00 0.00 O ATOM 881 CB GLU A 57 9.903 -8.657 -3.453 1.00 0.00 C ATOM 882 CG GLU A 57 10.331 -9.876 -4.238 1.00 0.00 C ATOM 883 CD GLU A 57 11.238 -9.529 -5.366 1.00 0.00 C ATOM 884 OE1 GLU A 57 10.732 -9.030 -6.374 1.00 0.00 O ATOM 885 OE2 GLU A 57 12.468 -9.768 -5.281 1.00 0.00 O ATOM 0 H GLU A 57 7.752 -9.079 -4.490 1.00 0.00 H new ATOM 0 HA GLU A 57 8.846 -9.733 -1.949 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.718 -7.834 -4.143 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.719 -8.348 -2.800 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.834 -10.577 -3.572 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.448 -10.384 -4.627 1.00 0.00 H new ATOM 892 N MET A 58 7.737 -6.673 -2.405 1.00 0.00 N ATOM 893 CA MET A 58 7.313 -5.438 -1.731 1.00 0.00 C ATOM 894 C MET A 58 6.288 -5.735 -0.665 1.00 0.00 C ATOM 895 O MET A 58 6.370 -5.216 0.432 1.00 0.00 O ATOM 896 CB MET A 58 6.725 -4.449 -2.733 1.00 0.00 C ATOM 897 CG MET A 58 7.735 -3.887 -3.715 1.00 0.00 C ATOM 898 SD MET A 58 8.870 -2.700 -3.005 1.00 0.00 S ATOM 899 CE MET A 58 9.681 -2.157 -4.497 1.00 0.00 C ATOM 0 H MET A 58 7.526 -6.689 -3.403 1.00 0.00 H new ATOM 0 HA MET A 58 8.195 -4.996 -1.267 1.00 0.00 H new ATOM 0 HB2 MET A 58 5.929 -4.943 -3.290 1.00 0.00 H new ATOM 0 HB3 MET A 58 6.267 -3.624 -2.187 1.00 0.00 H new ATOM 0 HG2 MET A 58 8.308 -4.711 -4.140 1.00 0.00 H new ATOM 0 HG3 MET A 58 7.200 -3.413 -4.538 1.00 0.00 H new ATOM 0 HE1 MET A 58 10.479 -1.459 -4.244 1.00 0.00 H new ATOM 0 HE2 MET A 58 10.102 -3.018 -5.016 1.00 0.00 H new ATOM 0 HE3 MET A 58 8.958 -1.661 -5.145 1.00 0.00 H new ATOM 909 N ALA A 59 5.347 -6.598 -0.977 1.00 0.00 N ATOM 910 CA ALA A 59 4.316 -6.965 -0.027 1.00 0.00 C ATOM 911 C ALA A 59 4.929 -7.595 1.221 1.00 0.00 C ATOM 912 O ALA A 59 4.559 -7.260 2.347 1.00 0.00 O ATOM 913 CB ALA A 59 3.307 -7.903 -0.666 1.00 0.00 C ATOM 0 H ALA A 59 5.273 -7.061 -1.883 1.00 0.00 H new ATOM 0 HA ALA A 59 3.792 -6.058 0.275 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.542 -8.166 0.064 1.00 0.00 H new ATOM 0 HB2 ALA A 59 2.841 -7.410 -1.519 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.814 -8.807 -1.003 1.00 0.00 H new ATOM 919 N GLN A 60 5.905 -8.457 1.016 1.00 0.00 N ATOM 920 CA GLN A 60 6.573 -9.116 2.121 1.00 0.00 C ATOM 921 C GLN A 60 7.554 -8.161 2.808 1.00 0.00 C ATOM 922 O GLN A 60 7.848 -8.296 3.987 1.00 0.00 O ATOM 923 CB GLN A 60 7.286 -10.370 1.650 1.00 0.00 C ATOM 924 CG GLN A 60 6.372 -11.348 0.935 1.00 0.00 C ATOM 925 CD GLN A 60 7.076 -12.630 0.559 1.00 0.00 C ATOM 926 OE1 GLN A 60 8.279 -12.648 0.312 1.00 0.00 O ATOM 927 NE2 GLN A 60 6.351 -13.700 0.520 1.00 0.00 N ATOM 0 H GLN A 60 6.254 -8.718 0.094 1.00 0.00 H new ATOM 0 HA GLN A 60 5.816 -9.409 2.848 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.099 -10.088 0.981 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.738 -10.867 2.509 1.00 0.00 H new ATOM 0 HG2 GLN A 60 5.521 -11.579 1.575 1.00 0.00 H new ATOM 0 HG3 GLN A 60 5.975 -10.878 0.035 1.00 0.00 H new ATOM 0 HE21 GLN A 60 5.354 -13.649 0.731 1.00 0.00 H new ATOM 0 HE22 GLN A 60 6.776 -14.595 0.278 1.00 0.00 H new ATOM 936 N LEU A 61 8.032 -7.201 2.058 1.00 0.00 N ATOM 937 CA LEU A 61 8.939 -6.176 2.544 1.00 0.00 C ATOM 938 C LEU A 61 8.197 -5.324 3.570 1.00 0.00 C ATOM 939 O LEU A 61 8.569 -5.263 4.750 1.00 0.00 O ATOM 940 CB LEU A 61 9.345 -5.290 1.367 1.00 0.00 C ATOM 941 CG LEU A 61 10.452 -4.283 1.594 1.00 0.00 C ATOM 942 CD1 LEU A 61 11.800 -4.972 1.627 1.00 0.00 C ATOM 943 CD2 LEU A 61 10.408 -3.217 0.521 1.00 0.00 C ATOM 0 H LEU A 61 7.800 -7.102 1.070 1.00 0.00 H new ATOM 0 HA LEU A 61 9.822 -6.628 2.996 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.646 -5.940 0.546 1.00 0.00 H new ATOM 0 HB3 LEU A 61 8.460 -4.747 1.035 1.00 0.00 H new ATOM 0 HG LEU A 61 10.302 -3.803 2.561 1.00 0.00 H new ATOM 0 HD11 LEU A 61 12.583 -4.232 1.791 1.00 0.00 H new ATOM 0 HD12 LEU A 61 11.816 -5.702 2.436 1.00 0.00 H new ATOM 0 HD13 LEU A 61 11.973 -5.479 0.678 1.00 0.00 H new ATOM 0 HD21 LEU A 61 11.208 -2.496 0.691 1.00 0.00 H new ATOM 0 HD22 LEU A 61 10.539 -3.680 -0.457 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.446 -2.706 0.555 1.00 0.00 H new ATOM 955 N LEU A 62 7.105 -4.723 3.112 1.00 0.00 N ATOM 956 CA LEU A 62 6.257 -3.869 3.920 1.00 0.00 C ATOM 957 C LEU A 62 5.748 -4.617 5.149 1.00 0.00 C ATOM 958 O LEU A 62 5.768 -4.090 6.255 1.00 0.00 O ATOM 959 CB LEU A 62 5.049 -3.358 3.103 1.00 0.00 C ATOM 960 CG LEU A 62 5.222 -2.191 2.092 1.00 0.00 C ATOM 961 CD1 LEU A 62 6.458 -2.318 1.252 1.00 0.00 C ATOM 962 CD2 LEU A 62 4.007 -2.157 1.199 1.00 0.00 C ATOM 0 H LEU A 62 6.782 -4.821 2.149 1.00 0.00 H new ATOM 0 HA LEU A 62 6.859 -3.018 4.239 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.652 -4.208 2.549 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.282 -3.056 3.816 1.00 0.00 H new ATOM 0 HG LEU A 62 5.327 -1.268 2.661 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.521 -1.473 0.567 1.00 0.00 H new ATOM 0 HD12 LEU A 62 7.337 -2.328 1.897 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.416 -3.245 0.681 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.107 -1.344 0.480 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.920 -3.104 0.666 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.115 -1.998 1.805 1.00 0.00 H new ATOM 974 N ILE A 63 5.322 -5.855 4.947 1.00 0.00 N ATOM 975 CA ILE A 63 4.755 -6.674 6.019 1.00 0.00 C ATOM 976 C ILE A 63 5.811 -6.975 7.119 1.00 0.00 C ATOM 977 O ILE A 63 5.486 -7.047 8.300 1.00 0.00 O ATOM 978 CB ILE A 63 4.111 -7.994 5.422 1.00 0.00 C ATOM 979 CG1 ILE A 63 2.832 -8.401 6.171 1.00 0.00 C ATOM 980 CG2 ILE A 63 5.092 -9.172 5.388 1.00 0.00 C ATOM 981 CD1 ILE A 63 3.034 -8.902 7.589 1.00 0.00 C ATOM 0 H ILE A 63 5.357 -6.323 4.041 1.00 0.00 H new ATOM 0 HA ILE A 63 3.957 -6.111 6.504 1.00 0.00 H new ATOM 0 HB ILE A 63 3.849 -7.749 4.393 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.161 -7.543 6.200 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.329 -9.180 5.598 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.595 -10.047 4.970 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.951 -8.912 4.769 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.428 -9.395 6.401 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.069 -9.161 8.024 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.675 -9.784 7.576 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.504 -8.121 8.187 1.00 0.00 H new ATOM 993 N THR A 64 7.065 -7.079 6.728 1.00 0.00 N ATOM 994 CA THR A 64 8.119 -7.400 7.663 1.00 0.00 C ATOM 995 C THR A 64 8.570 -6.160 8.455 1.00 0.00 C ATOM 996 O THR A 64 8.931 -6.258 9.634 1.00 0.00 O ATOM 997 CB THR A 64 9.320 -8.055 6.932 1.00 0.00 C ATOM 998 OG1 THR A 64 8.857 -9.222 6.240 1.00 0.00 O ATOM 999 CG2 THR A 64 10.420 -8.471 7.907 1.00 0.00 C ATOM 0 H THR A 64 7.377 -6.945 5.766 1.00 0.00 H new ATOM 0 HA THR A 64 7.718 -8.118 8.379 1.00 0.00 H new ATOM 0 HB THR A 64 9.736 -7.322 6.240 1.00 0.00 H new ATOM 0 HG1 THR A 64 8.221 -8.958 5.543 1.00 0.00 H new ATOM 0 HG21 THR A 64 11.243 -8.925 7.355 1.00 0.00 H new ATOM 0 HG22 THR A 64 10.783 -7.593 8.442 1.00 0.00 H new ATOM 0 HG23 THR A 64 10.020 -9.191 8.621 1.00 0.00 H new ATOM 1007 N HIS A 65 8.527 -5.010 7.835 1.00 0.00 N ATOM 1008 CA HIS A 65 8.991 -3.805 8.498 1.00 0.00 C ATOM 1009 C HIS A 65 7.856 -3.050 9.174 1.00 0.00 C ATOM 1010 O HIS A 65 7.926 -2.742 10.364 1.00 0.00 O ATOM 1011 CB HIS A 65 9.766 -2.892 7.537 1.00 0.00 C ATOM 1012 CG HIS A 65 11.024 -3.509 6.988 1.00 0.00 C ATOM 1013 ND1 HIS A 65 11.232 -4.193 5.839 1.00 0.00 N flip ATOM 1014 CD2 HIS A 65 12.240 -3.465 7.622 1.00 0.00 C flip ATOM 1015 CE1 HIS A 65 12.571 -4.568 5.766 1.00 0.00 C flip ATOM 1016 NE2 HIS A 65 13.130 -4.099 6.868 1.00 0.00 N flip ATOM 0 H HIS A 65 8.182 -4.875 6.885 1.00 0.00 H new ATOM 0 HA HIS A 65 9.679 -4.125 9.281 1.00 0.00 H new ATOM 0 HB2 HIS A 65 9.115 -2.619 6.707 1.00 0.00 H new ATOM 0 HB3 HIS A 65 10.023 -1.969 8.057 1.00 0.00 H new ATOM 0 HD1 HIS A 65 10.521 -4.401 5.138 1.00 0.00 H new ATOM 0 HD2 HIS A 65 12.439 -2.994 8.573 1.00 0.00 H new ATOM 0 HE1 HIS A 65 13.052 -5.125 4.975 1.00 0.00 H new ATOM 1024 N PHE A 66 6.828 -2.752 8.422 1.00 0.00 N ATOM 1025 CA PHE A 66 5.689 -2.022 8.932 1.00 0.00 C ATOM 1026 C PHE A 66 4.788 -2.890 9.782 1.00 0.00 C ATOM 1027 O PHE A 66 4.515 -2.559 10.934 1.00 0.00 O ATOM 1028 CB PHE A 66 4.928 -1.378 7.777 1.00 0.00 C ATOM 1029 CG PHE A 66 5.799 -0.432 7.040 1.00 0.00 C ATOM 1030 CD1 PHE A 66 5.961 0.853 7.487 1.00 0.00 C ATOM 1031 CD2 PHE A 66 6.503 -0.853 5.934 1.00 0.00 C ATOM 1032 CE1 PHE A 66 6.820 1.713 6.838 1.00 0.00 C ATOM 1033 CE2 PHE A 66 7.350 -0.009 5.272 1.00 0.00 C ATOM 1034 CZ PHE A 66 7.513 1.275 5.726 1.00 0.00 C ATOM 0 H PHE A 66 6.754 -3.007 7.437 1.00 0.00 H new ATOM 0 HA PHE A 66 6.057 -1.234 9.589 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.565 -2.150 7.099 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.053 -0.852 8.159 1.00 0.00 H new ATOM 0 HD1 PHE A 66 5.412 1.194 8.353 1.00 0.00 H new ATOM 0 HD2 PHE A 66 6.384 -1.868 5.584 1.00 0.00 H new ATOM 0 HE1 PHE A 66 6.951 2.723 7.196 1.00 0.00 H new ATOM 0 HE2 PHE A 66 7.886 -0.350 4.399 1.00 0.00 H new ATOM 0 HZ PHE A 66 8.186 1.946 5.212 1.00 0.00 H new ATOM 1044 N GLY A 67 4.347 -3.987 9.227 1.00 0.00 N ATOM 1045 CA GLY A 67 3.469 -4.887 9.936 1.00 0.00 C ATOM 1046 C GLY A 67 2.359 -5.347 9.034 1.00 0.00 C ATOM 1047 O GLY A 67 2.222 -4.816 7.950 1.00 0.00 O ATOM 0 H GLY A 67 4.582 -4.283 8.279 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.033 -5.747 10.298 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.053 -4.387 10.811 1.00 0.00 H new ATOM 1051 N PRO A 68 1.531 -6.305 9.459 1.00 0.00 N ATOM 1052 CA PRO A 68 0.470 -6.887 8.612 1.00 0.00 C ATOM 1053 C PRO A 68 -0.571 -5.878 8.130 1.00 0.00 C ATOM 1054 O PRO A 68 -0.967 -5.886 6.965 1.00 0.00 O ATOM 1055 CB PRO A 68 -0.181 -7.948 9.514 1.00 0.00 C ATOM 1056 CG PRO A 68 0.211 -7.572 10.904 1.00 0.00 C ATOM 1057 CD PRO A 68 1.559 -6.917 10.799 1.00 0.00 C ATOM 0 HA PRO A 68 0.892 -7.285 7.689 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -1.265 -7.953 9.398 1.00 0.00 H new ATOM 0 HB3 PRO A 68 0.171 -8.949 9.262 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -0.519 -6.892 11.343 1.00 0.00 H new ATOM 0 HG3 PRO A 68 0.255 -8.451 11.547 1.00 0.00 H new ATOM 0 HD2 PRO A 68 1.706 -6.171 11.580 1.00 0.00 H new ATOM 0 HD3 PRO A 68 2.368 -7.642 10.894 1.00 0.00 H new ATOM 1065 N GLU A 69 -0.996 -5.017 9.009 1.00 0.00 N ATOM 1066 CA GLU A 69 -2.014 -4.059 8.669 1.00 0.00 C ATOM 1067 C GLU A 69 -1.375 -2.742 8.290 1.00 0.00 C ATOM 1068 O GLU A 69 -1.946 -1.942 7.538 1.00 0.00 O ATOM 1069 CB GLU A 69 -2.971 -3.879 9.841 1.00 0.00 C ATOM 1070 CG GLU A 69 -3.583 -5.188 10.318 1.00 0.00 C ATOM 1071 CD GLU A 69 -4.628 -4.995 11.373 1.00 0.00 C ATOM 1072 OE1 GLU A 69 -5.803 -4.789 11.016 1.00 0.00 O ATOM 1073 OE2 GLU A 69 -4.305 -5.054 12.571 1.00 0.00 O ATOM 0 H GLU A 69 -0.655 -4.957 9.968 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.583 -4.425 7.814 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.438 -3.411 10.669 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.769 -3.197 9.549 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.025 -5.707 9.468 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.794 -5.830 10.709 1.00 0.00 H new ATOM 1080 N GLU A 70 -0.178 -2.528 8.792 1.00 0.00 N ATOM 1081 CA GLU A 70 0.528 -1.301 8.551 1.00 0.00 C ATOM 1082 C GLU A 70 1.079 -1.274 7.134 1.00 0.00 C ATOM 1083 O GLU A 70 1.080 -0.237 6.485 1.00 0.00 O ATOM 1084 CB GLU A 70 1.622 -1.098 9.590 1.00 0.00 C ATOM 1085 CG GLU A 70 2.070 0.344 9.686 1.00 0.00 C ATOM 1086 CD GLU A 70 0.920 1.266 10.062 1.00 0.00 C ATOM 1087 OE1 GLU A 70 -0.008 1.466 9.254 1.00 0.00 O ATOM 1088 OE2 GLU A 70 0.916 1.817 11.170 1.00 0.00 O ATOM 0 H GLU A 70 0.325 -3.198 9.374 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.169 -0.469 8.647 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.260 -1.428 10.564 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.478 -1.725 9.339 1.00 0.00 H new ATOM 0 HG2 GLU A 70 2.863 0.430 10.429 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.492 0.659 8.731 1.00 0.00 H new ATOM 1095 N ALA A 71 1.497 -2.438 6.648 1.00 0.00 N ATOM 1096 CA ALA A 71 1.991 -2.605 5.276 1.00 0.00 C ATOM 1097 C ALA A 71 0.951 -2.125 4.287 1.00 0.00 C ATOM 1098 O ALA A 71 1.253 -1.375 3.358 1.00 0.00 O ATOM 1099 CB ALA A 71 2.266 -4.075 5.020 1.00 0.00 C ATOM 0 H ALA A 71 1.505 -3.300 7.194 1.00 0.00 H new ATOM 0 HA ALA A 71 2.904 -2.022 5.154 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.633 -4.205 4.002 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.017 -4.433 5.725 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.346 -4.645 5.149 1.00 0.00 H new ATOM 1105 N TRP A 72 -0.276 -2.533 4.523 1.00 0.00 N ATOM 1106 CA TRP A 72 -1.367 -2.189 3.665 1.00 0.00 C ATOM 1107 C TRP A 72 -1.668 -0.697 3.709 1.00 0.00 C ATOM 1108 O TRP A 72 -1.808 -0.055 2.651 1.00 0.00 O ATOM 1109 CB TRP A 72 -2.607 -3.049 3.965 1.00 0.00 C ATOM 1110 CG TRP A 72 -3.836 -2.599 3.233 1.00 0.00 C ATOM 1111 CD1 TRP A 72 -5.049 -2.332 3.781 1.00 0.00 C ATOM 1112 CD2 TRP A 72 -3.956 -2.306 1.827 1.00 0.00 C ATOM 1113 NE1 TRP A 72 -5.917 -1.915 2.811 1.00 0.00 N ATOM 1114 CE2 TRP A 72 -5.267 -1.880 1.609 1.00 0.00 C ATOM 1115 CE3 TRP A 72 -3.076 -2.364 0.740 1.00 0.00 C ATOM 1116 CZ2 TRP A 72 -5.729 -1.515 0.362 1.00 0.00 C ATOM 1117 CZ3 TRP A 72 -3.538 -1.999 -0.505 1.00 0.00 C ATOM 1118 CH2 TRP A 72 -4.855 -1.575 -0.684 1.00 0.00 C ATOM 0 H TRP A 72 -0.537 -3.114 5.320 1.00 0.00 H new ATOM 0 HA TRP A 72 -1.068 -2.413 2.641 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -2.394 -4.085 3.700 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -2.804 -3.028 5.037 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -5.292 -2.434 4.828 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -6.895 -1.669 2.960 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -2.055 -2.689 0.875 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -6.750 -1.192 0.218 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -2.872 -2.042 -1.354 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -5.189 -1.289 -1.670 1.00 0.00 H new ATOM 1129 N ARG A 73 -1.726 -0.127 4.908 1.00 0.00 N ATOM 1130 CA ARG A 73 -2.011 1.291 5.024 1.00 0.00 C ATOM 1131 C ARG A 73 -0.911 2.099 4.364 1.00 0.00 C ATOM 1132 O ARG A 73 -1.183 3.065 3.654 1.00 0.00 O ATOM 1133 CB ARG A 73 -2.209 1.740 6.471 1.00 0.00 C ATOM 1134 CG ARG A 73 -2.576 3.218 6.567 1.00 0.00 C ATOM 1135 CD ARG A 73 -2.761 3.695 7.989 1.00 0.00 C ATOM 1136 NE ARG A 73 -1.538 3.584 8.796 1.00 0.00 N ATOM 1137 CZ ARG A 73 -1.063 4.541 9.598 1.00 0.00 C ATOM 1138 NH1 ARG A 73 -1.470 5.803 9.456 1.00 0.00 N ATOM 1139 NH2 ARG A 73 -0.116 4.251 10.483 1.00 0.00 N ATOM 0 H ARG A 73 -1.583 -0.615 5.792 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.955 1.470 4.510 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.994 1.141 6.932 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.295 1.556 7.036 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.795 3.811 6.090 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.496 3.394 6.009 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -3.089 4.734 7.978 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -3.555 3.115 8.460 1.00 0.00 H new ATOM 0 HE ARG A 73 -1.013 2.711 8.740 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -2.148 6.042 8.732 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -1.104 6.529 10.071 1.00 0.00 H new ATOM 0 HH21 ARG A 73 0.246 3.300 10.549 1.00 0.00 H new ATOM 0 HH22 ARG A 73 0.249 4.979 11.097 1.00 0.00 H new ATOM 1153 N LEU A 74 0.323 1.675 4.580 1.00 0.00 N ATOM 1154 CA LEU A 74 1.479 2.288 3.961 1.00 0.00 C ATOM 1155 C LEU A 74 1.355 2.289 2.458 1.00 0.00 C ATOM 1156 O LEU A 74 1.532 3.319 1.841 1.00 0.00 O ATOM 1157 CB LEU A 74 2.773 1.595 4.404 1.00 0.00 C ATOM 1158 CG LEU A 74 3.587 2.282 5.515 1.00 0.00 C ATOM 1159 CD1 LEU A 74 4.282 3.518 4.975 1.00 0.00 C ATOM 1160 CD2 LEU A 74 2.711 2.657 6.703 1.00 0.00 C ATOM 0 H LEU A 74 0.549 0.892 5.193 1.00 0.00 H new ATOM 0 HA LEU A 74 1.523 3.325 4.293 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.521 0.589 4.741 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.416 1.487 3.530 1.00 0.00 H new ATOM 0 HG LEU A 74 4.336 1.569 5.860 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.853 3.992 5.773 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.955 3.233 4.167 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.537 4.218 4.597 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.321 3.140 7.467 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.929 3.342 6.376 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.255 1.758 7.117 1.00 0.00 H new ATOM 1172 N ALA A 75 0.987 1.158 1.880 1.00 0.00 N ATOM 1173 CA ALA A 75 0.846 1.056 0.441 1.00 0.00 C ATOM 1174 C ALA A 75 -0.220 2.006 -0.068 1.00 0.00 C ATOM 1175 O ALA A 75 0.063 2.854 -0.907 1.00 0.00 O ATOM 1176 CB ALA A 75 0.514 -0.350 0.030 1.00 0.00 C ATOM 0 H ALA A 75 0.781 0.298 2.388 1.00 0.00 H new ATOM 0 HA ALA A 75 1.803 1.332 -0.002 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.414 -0.398 -1.054 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.311 -1.021 0.351 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.424 -0.653 0.495 1.00 0.00 H new ATOM 1182 N LEU A 76 -1.424 1.924 0.499 1.00 0.00 N ATOM 1183 CA LEU A 76 -2.535 2.740 0.020 1.00 0.00 C ATOM 1184 C LEU A 76 -2.262 4.233 0.212 1.00 0.00 C ATOM 1185 O LEU A 76 -2.530 5.037 -0.677 1.00 0.00 O ATOM 1186 CB LEU A 76 -3.904 2.280 0.622 1.00 0.00 C ATOM 1187 CG LEU A 76 -4.166 2.498 2.132 1.00 0.00 C ATOM 1188 CD1 LEU A 76 -4.663 3.903 2.432 1.00 0.00 C ATOM 1189 CD2 LEU A 76 -5.135 1.473 2.667 1.00 0.00 C ATOM 0 H LEU A 76 -1.651 1.309 1.280 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.618 2.583 -1.055 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.694 2.791 0.073 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.013 1.215 0.419 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.209 2.374 2.639 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.833 4.008 3.504 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.917 4.629 2.110 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.596 4.081 1.898 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.301 1.649 3.730 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -6.082 1.554 2.133 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.723 0.474 2.525 1.00 0.00 H new ATOM 1201 N SER A 77 -1.642 4.582 1.325 1.00 0.00 N ATOM 1202 CA SER A 77 -1.364 5.963 1.628 1.00 0.00 C ATOM 1203 C SER A 77 -0.172 6.464 0.790 1.00 0.00 C ATOM 1204 O SER A 77 0.063 7.672 0.664 1.00 0.00 O ATOM 1205 CB SER A 77 -1.120 6.136 3.130 1.00 0.00 C ATOM 1206 OG SER A 77 -1.165 7.507 3.514 1.00 0.00 O ATOM 0 H SER A 77 -1.323 3.921 2.033 1.00 0.00 H new ATOM 0 HA SER A 77 -2.229 6.571 1.363 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.871 5.576 3.688 1.00 0.00 H new ATOM 0 HB3 SER A 77 -0.149 5.716 3.392 1.00 0.00 H new ATOM 0 HG SER A 77 -1.750 7.999 2.901 1.00 0.00 H new ATOM 1212 N THR A 78 0.572 5.544 0.225 1.00 0.00 N ATOM 1213 CA THR A 78 1.612 5.905 -0.674 1.00 0.00 C ATOM 1214 C THR A 78 0.996 6.156 -2.044 1.00 0.00 C ATOM 1215 O THR A 78 1.349 7.132 -2.717 1.00 0.00 O ATOM 1216 CB THR A 78 2.701 4.814 -0.757 1.00 0.00 C ATOM 1217 OG1 THR A 78 3.310 4.644 0.521 1.00 0.00 O ATOM 1218 CG2 THR A 78 3.764 5.192 -1.746 1.00 0.00 C ATOM 0 H THR A 78 0.467 4.541 0.380 1.00 0.00 H new ATOM 0 HA THR A 78 2.101 6.809 -0.310 1.00 0.00 H new ATOM 0 HB THR A 78 2.226 3.887 -1.078 1.00 0.00 H new ATOM 0 HG1 THR A 78 2.616 4.491 1.196 1.00 0.00 H new ATOM 0 HG21 THR A 78 4.519 4.407 -1.786 1.00 0.00 H new ATOM 0 HG22 THR A 78 3.316 5.315 -2.732 1.00 0.00 H new ATOM 0 HG23 THR A 78 4.230 6.129 -1.439 1.00 0.00 H new ATOM 1226 N PHE A 79 0.011 5.306 -2.405 1.00 0.00 N ATOM 1227 CA PHE A 79 -0.689 5.388 -3.684 1.00 0.00 C ATOM 1228 C PHE A 79 -1.195 6.809 -3.919 1.00 0.00 C ATOM 1229 O PHE A 79 -0.846 7.445 -4.905 1.00 0.00 O ATOM 1230 CB PHE A 79 -1.903 4.430 -3.748 1.00 0.00 C ATOM 1231 CG PHE A 79 -1.612 2.956 -3.664 1.00 0.00 C ATOM 1232 CD1 PHE A 79 -0.342 2.449 -3.898 1.00 0.00 C ATOM 1233 CD2 PHE A 79 -2.628 2.072 -3.332 1.00 0.00 C ATOM 1234 CE1 PHE A 79 -0.099 1.099 -3.800 1.00 0.00 C ATOM 1235 CE2 PHE A 79 -2.387 0.721 -3.235 1.00 0.00 C ATOM 1236 CZ PHE A 79 -1.121 0.232 -3.466 1.00 0.00 C ATOM 0 H PHE A 79 -0.314 4.545 -1.809 1.00 0.00 H new ATOM 0 HA PHE A 79 0.029 5.100 -4.452 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -2.582 4.689 -2.936 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -2.435 4.618 -4.681 1.00 0.00 H new ATOM 0 HD1 PHE A 79 0.463 3.120 -4.159 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -3.623 2.450 -3.147 1.00 0.00 H new ATOM 0 HE1 PHE A 79 0.894 0.716 -3.985 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -3.189 0.045 -2.978 1.00 0.00 H new ATOM 0 HZ PHE A 79 -0.927 -0.827 -3.386 1.00 0.00 H new ATOM 1246 N GLU A 80 -1.954 7.318 -2.963 1.00 0.00 N ATOM 1247 CA GLU A 80 -2.575 8.647 -3.052 1.00 0.00 C ATOM 1248 C GLU A 80 -1.553 9.778 -3.286 1.00 0.00 C ATOM 1249 O GLU A 80 -1.876 10.777 -3.919 1.00 0.00 O ATOM 1250 CB GLU A 80 -3.389 8.945 -1.789 1.00 0.00 C ATOM 1251 CG GLU A 80 -2.561 8.866 -0.530 1.00 0.00 C ATOM 1252 CD GLU A 80 -3.283 9.255 0.729 1.00 0.00 C ATOM 1253 OE1 GLU A 80 -4.105 10.182 0.699 1.00 0.00 O ATOM 1254 OE2 GLU A 80 -2.987 8.672 1.805 1.00 0.00 O ATOM 0 H GLU A 80 -2.163 6.825 -2.095 1.00 0.00 H new ATOM 0 HA GLU A 80 -3.232 8.619 -3.922 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -3.826 9.940 -1.870 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.216 8.239 -1.720 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -2.192 7.847 -0.419 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.689 9.510 -0.645 1.00 0.00 H new ATOM 1261 N ARG A 81 -0.326 9.611 -2.807 1.00 0.00 N ATOM 1262 CA ARG A 81 0.662 10.665 -2.932 1.00 0.00 C ATOM 1263 C ARG A 81 1.596 10.457 -4.109 1.00 0.00 C ATOM 1264 O ARG A 81 2.288 11.384 -4.521 1.00 0.00 O ATOM 1265 CB ARG A 81 1.442 10.871 -1.640 1.00 0.00 C ATOM 1266 CG ARG A 81 0.559 11.272 -0.477 1.00 0.00 C ATOM 1267 CD ARG A 81 1.362 11.591 0.753 1.00 0.00 C ATOM 1268 NE ARG A 81 2.176 12.808 0.617 1.00 0.00 N ATOM 1269 CZ ARG A 81 3.060 13.237 1.534 1.00 0.00 C ATOM 1270 NH1 ARG A 81 3.386 12.466 2.564 1.00 0.00 N ATOM 1271 NH2 ARG A 81 3.645 14.415 1.392 1.00 0.00 N ATOM 0 H ARG A 81 0.001 8.768 -2.336 1.00 0.00 H new ATOM 0 HA ARG A 81 0.102 11.579 -3.131 1.00 0.00 H new ATOM 0 HB2 ARG A 81 1.969 9.951 -1.389 1.00 0.00 H new ATOM 0 HB3 ARG A 81 2.199 11.639 -1.797 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -0.037 12.141 -0.757 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.139 10.464 -0.256 1.00 0.00 H new ATOM 0 HD2 ARG A 81 0.686 11.707 1.600 1.00 0.00 H new ATOM 0 HD3 ARG A 81 2.015 10.749 0.980 1.00 0.00 H new ATOM 0 HE ARG A 81 2.062 13.364 -0.230 1.00 0.00 H new ATOM 0 HH11 ARG A 81 2.965 11.542 2.663 1.00 0.00 H new ATOM 0 HH12 ARG A 81 4.058 12.797 3.257 1.00 0.00 H new ATOM 0 HH21 ARG A 81 3.425 15.000 0.585 1.00 0.00 H new ATOM 0 HH22 ARG A 81 4.316 14.739 2.089 1.00 0.00 H new ATOM 1285 N ILE A 82 1.613 9.264 -4.670 1.00 0.00 N ATOM 1286 CA ILE A 82 2.459 9.000 -5.839 1.00 0.00 C ATOM 1287 C ILE A 82 1.653 9.156 -7.123 1.00 0.00 C ATOM 1288 O ILE A 82 2.055 8.664 -8.182 1.00 0.00 O ATOM 1289 CB ILE A 82 3.140 7.593 -5.812 1.00 0.00 C ATOM 1290 CG1 ILE A 82 2.103 6.459 -5.803 1.00 0.00 C ATOM 1291 CG2 ILE A 82 4.077 7.476 -4.620 1.00 0.00 C ATOM 1292 CD1 ILE A 82 2.689 5.073 -5.947 1.00 0.00 C ATOM 0 H ILE A 82 1.063 8.467 -4.349 1.00 0.00 H new ATOM 0 HA ILE A 82 3.260 9.738 -5.805 1.00 0.00 H new ATOM 0 HB ILE A 82 3.725 7.492 -6.726 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.539 6.506 -4.871 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.394 6.626 -6.614 1.00 0.00 H new ATOM 0 HG21 ILE A 82 4.542 6.490 -4.618 1.00 0.00 H new ATOM 0 HG22 ILE A 82 4.850 8.241 -4.688 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.512 7.613 -3.698 1.00 0.00 H new ATOM 0 HD11 ILE A 82 1.887 4.335 -5.930 1.00 0.00 H new ATOM 0 HD12 ILE A 82 3.228 5.002 -6.892 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.376 4.881 -5.123 1.00 0.00 H new ATOM 1304 N ASN A 83 0.523 9.872 -7.003 1.00 0.00 N ATOM 1305 CA ASN A 83 -0.411 10.176 -8.115 1.00 0.00 C ATOM 1306 C ASN A 83 -1.232 8.934 -8.491 1.00 0.00 C ATOM 1307 O ASN A 83 -1.858 8.850 -9.536 1.00 0.00 O ATOM 1308 CB ASN A 83 0.335 10.789 -9.335 1.00 0.00 C ATOM 1309 CG ASN A 83 -0.567 11.304 -10.460 1.00 0.00 C ATOM 1310 OD1 ASN A 83 -1.726 11.821 -10.129 1.00 0.00 O flip ATOM 1311 ND2 ASN A 83 -0.194 11.250 -11.634 1.00 0.00 N flip ATOM 0 H ASN A 83 0.221 10.267 -6.113 1.00 0.00 H new ATOM 0 HA ASN A 83 -1.114 10.935 -7.773 1.00 0.00 H new ATOM 0 HB2 ASN A 83 0.957 11.613 -8.984 1.00 0.00 H new ATOM 0 HB3 ASN A 83 1.007 10.035 -9.746 1.00 0.00 H new ATOM 0 HD21 ASN A 83 0.713 10.842 -11.863 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -0.792 11.613 -12.376 1.00 0.00 H new ATOM 1318 N ARG A 84 -1.293 8.016 -7.580 1.00 0.00 N ATOM 1319 CA ARG A 84 -1.994 6.783 -7.773 1.00 0.00 C ATOM 1320 C ARG A 84 -3.206 6.735 -6.822 1.00 0.00 C ATOM 1321 O ARG A 84 -3.484 5.741 -6.140 1.00 0.00 O ATOM 1322 CB ARG A 84 -0.993 5.627 -7.572 1.00 0.00 C ATOM 1323 CG ARG A 84 -1.549 4.214 -7.713 1.00 0.00 C ATOM 1324 CD ARG A 84 -2.436 4.067 -8.929 1.00 0.00 C ATOM 1325 NE ARG A 84 -1.757 4.415 -10.175 1.00 0.00 N ATOM 1326 CZ ARG A 84 -2.323 4.431 -11.394 1.00 0.00 C ATOM 1327 NH1 ARG A 84 -3.563 3.940 -11.602 1.00 0.00 N ATOM 1328 NH2 ARG A 84 -1.634 4.904 -12.408 1.00 0.00 N ATOM 0 H ARG A 84 -0.850 8.102 -6.665 1.00 0.00 H new ATOM 0 HA ARG A 84 -2.397 6.691 -8.782 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -0.183 5.748 -8.291 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -0.555 5.724 -6.579 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -0.723 3.506 -7.780 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -2.117 3.958 -6.818 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -2.792 3.039 -8.990 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -3.314 4.702 -8.810 1.00 0.00 H new ATOM 0 HE ARG A 84 -0.770 4.667 -10.115 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -4.092 3.545 -10.825 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -3.971 3.964 -12.537 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -0.686 5.251 -12.263 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -2.047 4.924 -13.340 1.00 0.00 H new ATOM 1342 N LYS A 85 -3.983 7.797 -6.870 1.00 0.00 N ATOM 1343 CA LYS A 85 -5.155 7.955 -6.035 1.00 0.00 C ATOM 1344 C LYS A 85 -6.223 6.985 -6.534 1.00 0.00 C ATOM 1345 O LYS A 85 -7.131 6.582 -5.809 1.00 0.00 O ATOM 1346 CB LYS A 85 -5.646 9.405 -6.113 1.00 0.00 C ATOM 1347 CG LYS A 85 -6.766 9.745 -5.149 1.00 0.00 C ATOM 1348 CD LYS A 85 -7.251 11.180 -5.302 1.00 0.00 C ATOM 1349 CE LYS A 85 -6.146 12.204 -5.051 1.00 0.00 C ATOM 1350 NZ LYS A 85 -6.654 13.590 -5.147 1.00 0.00 N ATOM 0 H LYS A 85 -3.816 8.584 -7.497 1.00 0.00 H new ATOM 0 HA LYS A 85 -4.925 7.735 -4.992 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.804 10.071 -5.921 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -5.986 9.606 -7.129 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.601 9.063 -5.312 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -6.421 9.588 -4.127 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -7.649 11.320 -6.307 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -8.071 11.358 -4.607 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -5.716 12.041 -4.063 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -5.344 12.059 -5.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -5.876 14.258 -4.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -7.041 13.753 -6.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -7.402 13.735 -4.439 1.00 0.00 H new ATOM 1364 N ASP A 86 -6.035 6.591 -7.778 1.00 0.00 N ATOM 1365 CA ASP A 86 -6.847 5.619 -8.477 1.00 0.00 C ATOM 1366 C ASP A 86 -6.976 4.304 -7.687 1.00 0.00 C ATOM 1367 O ASP A 86 -8.073 3.804 -7.464 1.00 0.00 O ATOM 1368 CB ASP A 86 -6.226 5.365 -9.853 1.00 0.00 C ATOM 1369 CG ASP A 86 -6.853 4.225 -10.608 1.00 0.00 C ATOM 1370 OD1 ASP A 86 -7.848 4.443 -11.345 1.00 0.00 O ATOM 1371 OD2 ASP A 86 -6.327 3.109 -10.532 1.00 0.00 O ATOM 0 H ASP A 86 -5.277 6.957 -8.354 1.00 0.00 H new ATOM 0 HA ASP A 86 -7.856 6.017 -8.588 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -6.310 6.273 -10.451 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -5.162 5.163 -9.728 1.00 0.00 H new ATOM 1376 N LEU A 87 -5.849 3.772 -7.230 1.00 0.00 N ATOM 1377 CA LEU A 87 -5.866 2.527 -6.456 1.00 0.00 C ATOM 1378 C LEU A 87 -6.129 2.819 -4.998 1.00 0.00 C ATOM 1379 O LEU A 87 -6.556 1.952 -4.258 1.00 0.00 O ATOM 1380 CB LEU A 87 -4.557 1.733 -6.591 1.00 0.00 C ATOM 1381 CG LEU A 87 -4.243 1.109 -7.952 1.00 0.00 C ATOM 1382 CD1 LEU A 87 -2.898 0.429 -7.916 1.00 0.00 C ATOM 1383 CD2 LEU A 87 -5.292 0.104 -8.337 1.00 0.00 C ATOM 0 H LEU A 87 -4.922 4.172 -7.376 1.00 0.00 H new ATOM 0 HA LEU A 87 -6.670 1.914 -6.864 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.733 2.396 -6.328 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.571 0.933 -5.850 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.231 1.910 -8.691 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -2.687 -0.011 -8.891 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.127 1.160 -7.673 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.907 -0.355 -7.158 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -5.046 -0.325 -9.308 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -5.329 -0.688 -7.589 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -6.263 0.595 -8.393 1.00 0.00 H new ATOM 1395 N TRP A 88 -5.888 4.047 -4.599 1.00 0.00 N ATOM 1396 CA TRP A 88 -6.116 4.476 -3.234 1.00 0.00 C ATOM 1397 C TRP A 88 -7.601 4.398 -2.896 1.00 0.00 C ATOM 1398 O TRP A 88 -7.983 3.823 -1.885 1.00 0.00 O ATOM 1399 CB TRP A 88 -5.571 5.882 -3.037 1.00 0.00 C ATOM 1400 CG TRP A 88 -5.862 6.472 -1.681 1.00 0.00 C ATOM 1401 CD1 TRP A 88 -5.340 6.078 -0.493 1.00 0.00 C ATOM 1402 CD2 TRP A 88 -6.738 7.569 -1.383 1.00 0.00 C ATOM 1403 NE1 TRP A 88 -5.823 6.858 0.521 1.00 0.00 N ATOM 1404 CE2 TRP A 88 -6.682 7.783 0.002 1.00 0.00 C ATOM 1405 CE3 TRP A 88 -7.554 8.387 -2.152 1.00 0.00 C ATOM 1406 CZ2 TRP A 88 -7.411 8.787 0.634 1.00 0.00 C ATOM 1407 CZ3 TRP A 88 -8.278 9.381 -1.530 1.00 0.00 C ATOM 1408 CH2 TRP A 88 -8.203 9.574 -0.150 1.00 0.00 C ATOM 0 H TRP A 88 -5.528 4.779 -5.211 1.00 0.00 H new ATOM 0 HA TRP A 88 -5.587 3.810 -2.552 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -4.492 5.866 -3.190 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -5.992 6.534 -3.803 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -4.642 5.264 -0.366 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -5.580 6.764 1.507 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -7.621 8.247 -3.221 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -7.352 8.937 1.702 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -8.915 10.022 -2.121 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -8.783 10.362 0.307 1.00 0.00 H new ATOM 1419 N GLU A 89 -8.429 4.921 -3.779 1.00 0.00 N ATOM 1420 CA GLU A 89 -9.882 4.853 -3.621 1.00 0.00 C ATOM 1421 C GLU A 89 -10.400 3.426 -3.726 1.00 0.00 C ATOM 1422 O GLU A 89 -11.504 3.111 -3.262 1.00 0.00 O ATOM 1423 CB GLU A 89 -10.580 5.771 -4.615 1.00 0.00 C ATOM 1424 CG GLU A 89 -10.447 7.235 -4.259 1.00 0.00 C ATOM 1425 CD GLU A 89 -11.275 7.618 -3.041 1.00 0.00 C ATOM 1426 OE1 GLU A 89 -11.175 6.961 -1.977 1.00 0.00 O ATOM 1427 OE2 GLU A 89 -12.078 8.568 -3.138 1.00 0.00 O ATOM 0 H GLU A 89 -8.123 5.404 -4.624 1.00 0.00 H new ATOM 0 HA GLU A 89 -10.117 5.202 -2.616 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.164 5.605 -5.609 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -11.637 5.509 -4.664 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.399 7.465 -4.068 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -10.757 7.842 -5.110 1.00 0.00 H new ATOM 1434 N ARG A 90 -9.613 2.573 -4.327 1.00 0.00 N ATOM 1435 CA ARG A 90 -9.943 1.174 -4.420 1.00 0.00 C ATOM 1436 C ARG A 90 -9.526 0.457 -3.126 1.00 0.00 C ATOM 1437 O ARG A 90 -10.115 -0.543 -2.740 1.00 0.00 O ATOM 1438 CB ARG A 90 -9.274 0.534 -5.648 1.00 0.00 C ATOM 1439 CG ARG A 90 -9.792 1.057 -6.990 1.00 0.00 C ATOM 1440 CD ARG A 90 -9.072 0.416 -8.179 1.00 0.00 C ATOM 1441 NE ARG A 90 -9.120 -1.060 -8.143 1.00 0.00 N ATOM 1442 CZ ARG A 90 -8.399 -1.911 -8.914 1.00 0.00 C ATOM 1443 NH1 ARG A 90 -7.645 -1.466 -9.926 1.00 0.00 N ATOM 1444 NH2 ARG A 90 -8.461 -3.210 -8.680 1.00 0.00 N ATOM 0 H ARG A 90 -8.727 2.827 -4.765 1.00 0.00 H new ATOM 0 HA ARG A 90 -11.021 1.072 -4.544 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -8.199 0.708 -5.594 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.425 -0.545 -5.609 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -10.861 0.860 -7.066 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -9.664 2.139 -7.030 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -9.525 0.768 -9.106 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -8.032 0.742 -8.188 1.00 0.00 H new ATOM 0 HE ARG A 90 -9.760 -1.482 -7.470 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -7.604 -0.468 -10.131 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -7.111 -2.125 -10.492 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -9.048 -3.565 -7.925 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -7.922 -3.858 -9.255 1.00 0.00 H new ATOM 1458 N GLY A 91 -8.526 1.014 -2.448 1.00 0.00 N ATOM 1459 CA GLY A 91 -8.024 0.446 -1.212 1.00 0.00 C ATOM 1460 C GLY A 91 -8.790 0.926 0.005 1.00 0.00 C ATOM 1461 O GLY A 91 -8.837 0.234 1.044 1.00 0.00 O ATOM 0 H GLY A 91 -8.048 1.866 -2.742 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.081 -0.641 -1.267 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -6.971 0.705 -1.099 1.00 0.00 H new ATOM 1465 N GLN A 92 -9.353 2.119 -0.104 1.00 0.00 N ATOM 1466 CA GLN A 92 -10.169 2.681 0.950 1.00 0.00 C ATOM 1467 C GLN A 92 -11.412 1.857 1.172 1.00 0.00 C ATOM 1468 O GLN A 92 -11.892 1.162 0.259 1.00 0.00 O ATOM 1469 CB GLN A 92 -10.502 4.153 0.703 1.00 0.00 C ATOM 1470 CG GLN A 92 -9.314 5.098 0.868 1.00 0.00 C ATOM 1471 CD GLN A 92 -8.768 5.144 2.299 1.00 0.00 C ATOM 1472 OE1 GLN A 92 -8.826 4.168 3.049 1.00 0.00 O ATOM 1473 NE2 GLN A 92 -8.264 6.279 2.693 1.00 0.00 N ATOM 0 H GLN A 92 -9.255 2.719 -0.923 1.00 0.00 H new ATOM 0 HA GLN A 92 -9.579 2.647 1.866 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -10.900 4.260 -0.306 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -11.292 4.456 1.391 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -8.517 4.789 0.192 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -9.614 6.102 0.569 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -8.228 7.071 2.051 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -7.905 6.375 3.643 1.00 0.00 H new ATOM 1482 N ARG A 93 -11.952 1.946 2.353 1.00 0.00 N ATOM 1483 CA ARG A 93 -12.989 1.049 2.743 1.00 0.00 C ATOM 1484 C ARG A 93 -14.091 1.751 3.516 1.00 0.00 C ATOM 1485 O ARG A 93 -13.835 2.626 4.356 1.00 0.00 O ATOM 1486 CB ARG A 93 -12.410 -0.141 3.559 1.00 0.00 C ATOM 1487 CG ARG A 93 -11.803 0.195 4.945 1.00 0.00 C ATOM 1488 CD ARG A 93 -10.552 1.077 4.884 1.00 0.00 C ATOM 1489 NE ARG A 93 -10.034 1.364 6.222 1.00 0.00 N ATOM 1490 CZ ARG A 93 -9.219 2.379 6.553 1.00 0.00 C ATOM 1491 NH1 ARG A 93 -8.787 3.236 5.632 1.00 0.00 N ATOM 1492 NH2 ARG A 93 -8.840 2.524 7.819 1.00 0.00 N ATOM 0 H ARG A 93 -11.688 2.633 3.060 1.00 0.00 H new ATOM 0 HA ARG A 93 -13.438 0.657 1.830 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -13.205 -0.873 3.704 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -11.639 -0.623 2.958 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -12.559 0.697 5.549 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -11.554 -0.735 5.456 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -9.783 0.579 4.294 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -10.789 2.012 4.376 1.00 0.00 H new ATOM 0 HE ARG A 93 -10.318 0.735 6.973 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -9.074 3.127 4.659 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -8.168 4.002 5.898 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -9.168 1.868 8.528 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -8.221 3.291 8.081 1.00 0.00 H new ATOM 1506 N GLU A 94 -15.296 1.378 3.211 1.00 0.00 N ATOM 1507 CA GLU A 94 -16.485 1.863 3.865 1.00 0.00 C ATOM 1508 C GLU A 94 -17.317 0.650 4.231 1.00 0.00 C ATOM 1509 O GLU A 94 -16.924 -0.480 3.907 1.00 0.00 O ATOM 1510 CB GLU A 94 -17.282 2.776 2.915 1.00 0.00 C ATOM 1511 CG GLU A 94 -16.542 4.037 2.507 1.00 0.00 C ATOM 1512 CD GLU A 94 -17.321 4.898 1.544 1.00 0.00 C ATOM 1513 OE1 GLU A 94 -18.352 5.467 1.933 1.00 0.00 O ATOM 1514 OE2 GLU A 94 -16.911 5.032 0.388 1.00 0.00 O ATOM 0 H GLU A 94 -15.492 0.702 2.473 1.00 0.00 H new ATOM 0 HA GLU A 94 -16.227 2.444 4.751 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -17.541 2.213 2.019 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -18.218 3.056 3.397 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -16.310 4.619 3.399 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -15.591 3.761 2.050 1.00 0.00 H new ATOM 1521 N ASP A 95 -18.408 0.846 4.929 1.00 0.00 N ATOM 1522 CA ASP A 95 -19.324 -0.258 5.179 1.00 0.00 C ATOM 1523 C ASP A 95 -20.089 -0.463 3.921 1.00 0.00 C ATOM 1524 O ASP A 95 -20.636 0.518 3.381 1.00 0.00 O ATOM 1525 CB ASP A 95 -20.291 0.018 6.337 1.00 0.00 C ATOM 1526 CG ASP A 95 -19.618 0.103 7.681 1.00 0.00 C ATOM 1527 OD1 ASP A 95 -19.351 -0.954 8.299 1.00 0.00 O ATOM 1528 OD2 ASP A 95 -19.363 1.239 8.159 1.00 0.00 O ATOM 0 H ASP A 95 -18.688 1.741 5.332 1.00 0.00 H new ATOM 0 HA ASP A 95 -18.755 -1.141 5.469 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -20.817 0.953 6.144 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -21.043 -0.771 6.366 1.00 0.00 H new ATOM 1533 N LEU A 96 -20.100 -1.706 3.434 1.00 0.00 N ATOM 1534 CA LEU A 96 -20.670 -2.090 2.148 1.00 0.00 C ATOM 1535 C LEU A 96 -19.757 -1.593 1.012 1.00 0.00 C ATOM 1536 O LEU A 96 -18.874 -0.744 1.230 1.00 0.00 O ATOM 1537 CB LEU A 96 -22.124 -1.599 2.000 1.00 0.00 C ATOM 1538 CG LEU A 96 -22.885 -2.035 0.740 1.00 0.00 C ATOM 1539 CD1 LEU A 96 -23.064 -3.548 0.711 1.00 0.00 C ATOM 1540 CD2 LEU A 96 -24.227 -1.331 0.663 1.00 0.00 C ATOM 0 H LEU A 96 -19.699 -2.494 3.942 1.00 0.00 H new ATOM 0 HA LEU A 96 -20.719 -3.177 2.090 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -22.686 -1.940 2.869 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -22.118 -0.509 2.031 1.00 0.00 H new ATOM 0 HG LEU A 96 -22.297 -1.750 -0.133 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -23.606 -3.833 -0.191 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -22.086 -4.030 0.715 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -23.628 -3.865 1.588 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -24.754 -1.651 -0.236 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -24.821 -1.583 1.541 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -24.071 -0.253 0.628 1.00 0.00 H new ATOM 1552 N VAL A 97 -19.909 -2.157 -0.162 1.00 0.00 N ATOM 1553 CA VAL A 97 -19.118 -1.764 -1.291 1.00 0.00 C ATOM 1554 C VAL A 97 -19.399 -0.340 -1.702 1.00 0.00 C ATOM 1555 O VAL A 97 -20.549 0.069 -1.879 1.00 0.00 O ATOM 1556 CB VAL A 97 -19.238 -2.728 -2.485 1.00 0.00 C ATOM 1557 CG1 VAL A 97 -18.495 -4.013 -2.178 1.00 0.00 C ATOM 1558 CG2 VAL A 97 -20.698 -3.022 -2.821 1.00 0.00 C ATOM 0 H VAL A 97 -20.583 -2.898 -0.356 1.00 0.00 H new ATOM 0 HA VAL A 97 -18.081 -1.819 -0.960 1.00 0.00 H new ATOM 0 HB VAL A 97 -18.791 -2.251 -3.358 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -18.581 -4.694 -3.025 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -17.443 -3.791 -1.997 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -18.925 -4.479 -1.292 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -20.746 -3.706 -3.669 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -21.185 -3.478 -1.959 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -21.207 -2.092 -3.076 1.00 0.00 H new ATOM 1568 N ARG A 98 -18.338 0.405 -1.843 1.00 0.00 N ATOM 1569 CA ARG A 98 -18.415 1.810 -2.145 1.00 0.00 C ATOM 1570 C ARG A 98 -18.576 2.005 -3.637 1.00 0.00 C ATOM 1571 O ARG A 98 -18.872 3.097 -4.120 1.00 0.00 O ATOM 1572 CB ARG A 98 -17.180 2.519 -1.602 1.00 0.00 C ATOM 1573 CG ARG A 98 -15.869 2.166 -2.291 1.00 0.00 C ATOM 1574 CD ARG A 98 -14.685 2.595 -1.447 1.00 0.00 C ATOM 1575 NE ARG A 98 -14.866 3.958 -0.920 1.00 0.00 N ATOM 1576 CZ ARG A 98 -14.011 4.982 -0.984 1.00 0.00 C ATOM 1577 NH1 ARG A 98 -12.857 4.886 -1.627 1.00 0.00 N ATOM 1578 NH2 ARG A 98 -14.351 6.119 -0.409 1.00 0.00 N ATOM 0 H ARG A 98 -17.386 0.052 -1.751 1.00 0.00 H new ATOM 0 HA ARG A 98 -19.287 2.250 -1.662 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -17.335 3.595 -1.682 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -17.087 2.289 -0.541 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -15.824 1.092 -2.469 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -15.822 2.653 -3.265 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -14.555 1.898 -0.619 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -13.775 2.553 -2.046 1.00 0.00 H new ATOM 0 HE ARG A 98 -15.752 4.142 -0.449 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -12.602 4.013 -2.090 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -12.223 5.685 -1.660 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -15.248 6.200 0.069 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -13.717 6.917 -0.443 1.00 0.00 H new ATOM 1592 N ASP A 99 -18.357 0.945 -4.359 1.00 0.00 N ATOM 1593 CA ASP A 99 -18.613 0.923 -5.765 1.00 0.00 C ATOM 1594 C ASP A 99 -19.959 0.269 -5.933 1.00 0.00 C ATOM 1595 O ASP A 99 -20.272 -0.709 -5.255 1.00 0.00 O ATOM 1596 CB ASP A 99 -17.523 0.157 -6.547 1.00 0.00 C ATOM 1597 CG ASP A 99 -17.463 -1.324 -6.236 1.00 0.00 C ATOM 1598 OD1 ASP A 99 -16.821 -1.712 -5.229 1.00 0.00 O ATOM 1599 OD2 ASP A 99 -18.034 -2.129 -7.004 1.00 0.00 O ATOM 0 H ASP A 99 -17.994 0.068 -3.985 1.00 0.00 H new ATOM 0 HA ASP A 99 -18.603 1.935 -6.170 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -17.699 0.286 -7.615 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -16.553 0.603 -6.328 1.00 0.00 H new ATOM 1604 N THR A 100 -20.791 0.849 -6.717 1.00 0.00 N ATOM 1605 CA THR A 100 -22.101 0.325 -6.920 1.00 0.00 C ATOM 1606 C THR A 100 -22.474 0.541 -8.381 1.00 0.00 C ATOM 1607 O THR A 100 -21.981 1.501 -9.010 1.00 0.00 O ATOM 1608 CB THR A 100 -23.102 1.035 -5.968 1.00 0.00 C ATOM 1609 OG1 THR A 100 -22.587 0.965 -4.613 1.00 0.00 O ATOM 1610 CG2 THR A 100 -24.467 0.362 -5.995 1.00 0.00 C ATOM 0 H THR A 100 -20.588 1.701 -7.239 1.00 0.00 H new ATOM 0 HA THR A 100 -22.134 -0.741 -6.695 1.00 0.00 H new ATOM 0 HB THR A 100 -23.214 2.068 -6.298 1.00 0.00 H new ATOM 0 HG1 THR A 100 -23.210 1.412 -4.003 1.00 0.00 H new ATOM 0 HG21 THR A 100 -25.143 0.884 -5.318 1.00 0.00 H new ATOM 0 HG22 THR A 100 -24.869 0.396 -7.007 1.00 0.00 H new ATOM 0 HG23 THR A 100 -24.367 -0.676 -5.679 1.00 0.00 H new ATOM 1618 N VAL A 101 -23.307 -0.350 -8.905 1.00 0.00 N ATOM 1619 CA VAL A 101 -23.743 -0.374 -10.296 1.00 0.00 C ATOM 1620 C VAL A 101 -22.627 -0.911 -11.178 1.00 0.00 C ATOM 1621 O VAL A 101 -21.603 -0.255 -11.390 1.00 0.00 O ATOM 1622 CB VAL A 101 -24.268 1.006 -10.831 1.00 0.00 C ATOM 1623 CG1 VAL A 101 -24.710 0.904 -12.288 1.00 0.00 C ATOM 1624 CG2 VAL A 101 -25.415 1.517 -9.973 1.00 0.00 C ATOM 0 H VAL A 101 -23.713 -1.105 -8.352 1.00 0.00 H new ATOM 0 HA VAL A 101 -24.604 -1.042 -10.337 1.00 0.00 H new ATOM 0 HB VAL A 101 -23.442 1.715 -10.773 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -25.068 1.876 -12.628 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -23.866 0.592 -12.903 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -25.512 0.171 -12.374 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -25.762 2.474 -10.362 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -26.234 0.798 -9.994 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -25.072 1.646 -8.946 1.00 0.00 H new ATOM 1634 N GLU A 102 -22.802 -2.119 -11.620 1.00 0.00 N ATOM 1635 CA GLU A 102 -21.871 -2.766 -12.493 1.00 0.00 C ATOM 1636 C GLU A 102 -22.595 -3.078 -13.777 1.00 0.00 C ATOM 1637 O GLU A 102 -22.349 -2.406 -14.787 1.00 0.00 O ATOM 1638 CB GLU A 102 -21.317 -4.052 -11.866 1.00 0.00 C ATOM 1639 CG GLU A 102 -20.305 -4.768 -12.754 1.00 0.00 C ATOM 1640 CD GLU A 102 -19.818 -6.061 -12.170 1.00 0.00 C ATOM 1641 OE1 GLU A 102 -18.815 -6.055 -11.433 1.00 0.00 O ATOM 1642 OE2 GLU A 102 -20.417 -7.116 -12.454 1.00 0.00 O ATOM 1643 OXT GLU A 102 -23.495 -3.945 -13.756 1.00 0.00 O ATOM 0 H GLU A 102 -23.610 -2.693 -11.380 1.00 0.00 H new ATOM 0 HA GLU A 102 -21.020 -2.110 -12.677 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -20.847 -3.810 -10.913 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -22.144 -4.729 -11.651 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -20.758 -4.963 -13.726 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -19.453 -4.111 -12.926 1.00 0.00 H new TER 1650 GLU A 102