USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 522 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 NoAdj-H: A 34 HIS HD1 : A 34 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 71 HIS HD1 : A 71 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 14 ASN : amide:sc= -8.2! C(o=-11!,f=-18!) USER MOD Set 1.2: A 72 ASN : amide:sc= -3.18! C(o=-11!,f=-11!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.385 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 149:sc= -0.597 (180deg=-2.18!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.923 USER MOD Single : A 26 ASN : amide:sc= -5.27! C(o=-5.3!,f=-18!) USER MOD Single : A 27 SER OG : rot 69:sc= 0.162 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HE2:sc= -8.13! C(o=-8.1!,f=-16!) USER MOD Single : A 45 LYS NZ :NH3+ 169:sc= -5.41! (180deg=-6.01!) USER MOD Single : A 48 SER OG : rot -34:sc= 1.01 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 120:sc= -1.03 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -100:sc= -1.39 USER MOD Single : A 68 LYS NZ :NH3+ 168:sc= -0.0212 (180deg=-0.165) USER MOD Single : A 73 SER OG : rot 180:sc= 0.0133 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.570 18.397 13.083 1.00 0.00 N ATOM 2 CA GLY A 1 -9.502 17.646 12.447 1.00 0.00 C ATOM 3 C GLY A 1 -10.018 16.684 11.396 1.00 0.00 C ATOM 4 O GLY A 1 -9.696 15.496 11.421 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.167 19.041 13.793 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.081 18.950 12.365 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.229 17.739 13.546 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.798 18.340 11.987 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.951 17.090 13.206 1.00 0.00 H new ATOM 8 N SER A 2 -10.821 17.197 10.469 1.00 0.00 N ATOM 9 CA SER A 2 -11.386 16.374 9.407 1.00 0.00 C ATOM 10 C SER A 2 -10.417 16.259 8.234 1.00 0.00 C ATOM 11 O SER A 2 -10.433 17.081 7.318 1.00 0.00 O ATOM 12 CB SER A 2 -12.714 16.962 8.929 1.00 0.00 C ATOM 13 OG SER A 2 -13.543 15.961 8.363 1.00 0.00 O ATOM 0 H SER A 2 -11.095 18.179 10.432 1.00 0.00 H new ATOM 0 HA SER A 2 -11.562 15.377 9.810 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.228 17.433 9.766 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.525 17.742 8.191 1.00 0.00 H new ATOM 0 HG SER A 2 -14.386 16.363 8.067 1.00 0.00 H new ATOM 19 N SER A 3 -9.572 15.232 8.270 1.00 0.00 N ATOM 20 CA SER A 3 -8.592 15.011 7.214 1.00 0.00 C ATOM 21 C SER A 3 -8.800 13.649 6.557 1.00 0.00 C ATOM 22 O SER A 3 -9.522 12.800 7.078 1.00 0.00 O ATOM 23 CB SER A 3 -7.174 15.106 7.777 1.00 0.00 C ATOM 24 OG SER A 3 -6.265 14.347 7.000 1.00 0.00 O ATOM 0 H SER A 3 -9.547 14.541 9.020 1.00 0.00 H new ATOM 0 HA SER A 3 -8.728 15.785 6.458 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.857 16.149 7.798 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.164 14.749 8.807 1.00 0.00 H new ATOM 0 HG SER A 3 -5.365 14.426 7.380 1.00 0.00 H new ATOM 30 N GLY A 4 -8.164 13.450 5.407 1.00 0.00 N ATOM 31 CA GLY A 4 -8.290 12.191 4.697 1.00 0.00 C ATOM 32 C GLY A 4 -7.824 12.287 3.258 1.00 0.00 C ATOM 33 O GLY A 4 -7.332 11.312 2.691 1.00 0.00 O ATOM 0 H GLY A 4 -7.563 14.139 4.954 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.709 11.427 5.213 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.331 11.869 4.718 1.00 0.00 H new ATOM 37 N SER A 5 -7.978 13.467 2.665 1.00 0.00 N ATOM 38 CA SER A 5 -7.575 13.685 1.281 1.00 0.00 C ATOM 39 C SER A 5 -6.269 14.471 1.215 1.00 0.00 C ATOM 40 O SER A 5 -6.262 15.661 0.900 1.00 0.00 O ATOM 41 CB SER A 5 -8.671 14.431 0.519 1.00 0.00 C ATOM 42 OG SER A 5 -8.301 14.637 -0.834 1.00 0.00 O ATOM 0 H SER A 5 -8.379 14.286 3.122 1.00 0.00 H new ATOM 0 HA SER A 5 -7.419 12.712 0.816 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.600 13.863 0.563 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.862 15.392 0.998 1.00 0.00 H new ATOM 0 HG SER A 5 -9.019 15.114 -1.300 1.00 0.00 H new ATOM 48 N SER A 6 -5.162 13.796 1.513 1.00 0.00 N ATOM 49 CA SER A 6 -3.851 14.431 1.492 1.00 0.00 C ATOM 50 C SER A 6 -3.526 14.962 0.099 1.00 0.00 C ATOM 51 O SER A 6 -3.396 16.168 -0.103 1.00 0.00 O ATOM 52 CB SER A 6 -2.773 13.439 1.935 1.00 0.00 C ATOM 53 OG SER A 6 -3.085 12.877 3.198 1.00 0.00 O ATOM 0 H SER A 6 -5.149 12.809 1.772 1.00 0.00 H new ATOM 0 HA SER A 6 -3.871 15.271 2.187 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.678 12.645 1.194 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.809 13.944 1.987 1.00 0.00 H new ATOM 0 HG SER A 6 -2.382 12.246 3.458 1.00 0.00 H new ATOM 59 N GLY A 7 -3.398 14.050 -0.860 1.00 0.00 N ATOM 60 CA GLY A 7 -3.091 14.444 -2.223 1.00 0.00 C ATOM 61 C GLY A 7 -1.599 14.511 -2.484 1.00 0.00 C ATOM 62 O GLY A 7 -1.168 14.944 -3.552 1.00 0.00 O ATOM 0 H GLY A 7 -3.501 13.045 -0.717 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.546 13.735 -2.914 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.537 15.418 -2.426 1.00 0.00 H new ATOM 66 N MET A 8 -0.808 14.083 -1.505 1.00 0.00 N ATOM 67 CA MET A 8 0.644 14.096 -1.635 1.00 0.00 C ATOM 68 C MET A 8 1.224 12.703 -1.414 1.00 0.00 C ATOM 69 O MET A 8 2.441 12.527 -1.360 1.00 0.00 O ATOM 70 CB MET A 8 1.258 15.080 -0.636 1.00 0.00 C ATOM 71 CG MET A 8 0.762 14.888 0.788 1.00 0.00 C ATOM 72 SD MET A 8 0.853 16.401 1.765 1.00 0.00 S ATOM 73 CE MET A 8 -0.051 17.536 0.716 1.00 0.00 C ATOM 0 H MET A 8 -1.148 13.723 -0.613 1.00 0.00 H new ATOM 0 HA MET A 8 0.889 14.415 -2.648 1.00 0.00 H new ATOM 0 HB2 MET A 8 2.343 14.972 -0.652 1.00 0.00 H new ATOM 0 HB3 MET A 8 1.034 16.098 -0.956 1.00 0.00 H new ATOM 0 HG2 MET A 8 -0.269 14.536 0.765 1.00 0.00 H new ATOM 0 HG3 MET A 8 1.353 14.111 1.273 1.00 0.00 H new ATOM 0 HE1 MET A 8 -0.554 18.280 1.334 1.00 0.00 H new ATOM 0 HE2 MET A 8 0.641 18.035 0.038 1.00 0.00 H new ATOM 0 HE3 MET A 8 -0.792 16.985 0.137 1.00 0.00 H new ATOM 83 N ALA A 9 0.343 11.715 -1.286 1.00 0.00 N ATOM 84 CA ALA A 9 0.767 10.337 -1.073 1.00 0.00 C ATOM 85 C ALA A 9 1.193 9.684 -2.383 1.00 0.00 C ATOM 86 O ALA A 9 0.356 9.239 -3.168 1.00 0.00 O ATOM 87 CB ALA A 9 -0.349 9.536 -0.420 1.00 0.00 C ATOM 0 H ALA A 9 -0.668 11.844 -1.326 1.00 0.00 H new ATOM 0 HA ALA A 9 1.629 10.348 -0.406 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.018 8.509 -0.267 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -0.603 9.982 0.541 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.227 9.542 -1.066 1.00 0.00 H new ATOM 93 N LEU A 10 2.500 9.631 -2.615 1.00 0.00 N ATOM 94 CA LEU A 10 3.037 9.033 -3.832 1.00 0.00 C ATOM 95 C LEU A 10 3.080 7.512 -3.719 1.00 0.00 C ATOM 96 O LEU A 10 3.455 6.966 -2.681 1.00 0.00 O ATOM 97 CB LEU A 10 4.441 9.573 -4.113 1.00 0.00 C ATOM 98 CG LEU A 10 4.617 11.086 -3.978 1.00 0.00 C ATOM 99 CD1 LEU A 10 5.948 11.524 -4.569 1.00 0.00 C ATOM 100 CD2 LEU A 10 3.465 11.820 -4.651 1.00 0.00 C ATOM 0 H LEU A 10 3.207 9.995 -1.976 1.00 0.00 H new ATOM 0 HA LEU A 10 2.378 9.300 -4.659 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.139 9.084 -3.434 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.724 9.283 -5.125 1.00 0.00 H new ATOM 0 HG LEU A 10 4.613 11.339 -2.918 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.055 12.604 -4.464 1.00 0.00 H new ATOM 0 HD12 LEU A 10 6.762 11.025 -4.042 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.982 11.257 -5.625 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.607 12.895 -4.545 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.437 11.560 -5.709 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.525 11.530 -4.181 1.00 0.00 H new ATOM 112 N LEU A 11 2.693 6.834 -4.794 1.00 0.00 N ATOM 113 CA LEU A 11 2.688 5.375 -4.817 1.00 0.00 C ATOM 114 C LEU A 11 4.092 4.830 -5.064 1.00 0.00 C ATOM 115 O LEU A 11 4.752 5.204 -6.033 1.00 0.00 O ATOM 116 CB LEU A 11 1.734 4.866 -5.898 1.00 0.00 C ATOM 117 CG LEU A 11 1.708 3.352 -6.113 1.00 0.00 C ATOM 118 CD1 LEU A 11 1.875 2.622 -4.789 1.00 0.00 C ATOM 119 CD2 LEU A 11 0.416 2.931 -6.798 1.00 0.00 C ATOM 0 H LEU A 11 2.379 7.271 -5.661 1.00 0.00 H new ATOM 0 HA LEU A 11 2.347 5.022 -3.844 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.725 5.194 -5.648 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.999 5.342 -6.842 1.00 0.00 H new ATOM 0 HG LEU A 11 2.542 3.082 -6.761 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.854 1.546 -4.962 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.828 2.899 -4.339 1.00 0.00 H new ATOM 0 HD13 LEU A 11 1.063 2.897 -4.117 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.416 1.851 -6.942 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.434 3.214 -6.177 1.00 0.00 H new ATOM 0 HD23 LEU A 11 0.339 3.426 -7.766 1.00 0.00 H new ATOM 131 N CYS A 12 4.538 3.942 -4.183 1.00 0.00 N ATOM 132 CA CYS A 12 5.863 3.342 -4.305 1.00 0.00 C ATOM 133 C CYS A 12 5.885 2.297 -5.416 1.00 0.00 C ATOM 134 O CYS A 12 4.917 1.563 -5.612 1.00 0.00 O ATOM 135 CB CYS A 12 6.280 2.703 -2.979 1.00 0.00 C ATOM 136 SG CYS A 12 8.057 2.320 -2.866 1.00 0.00 S ATOM 0 H CYS A 12 4.002 3.621 -3.376 1.00 0.00 H new ATOM 0 HA CYS A 12 6.571 4.131 -4.558 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.011 3.375 -2.164 1.00 0.00 H new ATOM 0 HB3 CYS A 12 5.711 1.784 -2.836 1.00 0.00 H new ATOM 141 N TYR A 13 6.997 2.234 -6.139 1.00 0.00 N ATOM 142 CA TYR A 13 7.146 1.280 -7.231 1.00 0.00 C ATOM 143 C TYR A 13 8.356 0.379 -7.006 1.00 0.00 C ATOM 144 O TYR A 13 9.043 -0.005 -7.952 1.00 0.00 O ATOM 145 CB TYR A 13 7.286 2.017 -8.564 1.00 0.00 C ATOM 146 CG TYR A 13 6.004 2.664 -9.036 1.00 0.00 C ATOM 147 CD1 TYR A 13 5.007 1.912 -9.644 1.00 0.00 C ATOM 148 CD2 TYR A 13 5.790 4.028 -8.875 1.00 0.00 C ATOM 149 CE1 TYR A 13 3.833 2.499 -10.078 1.00 0.00 C ATOM 150 CE2 TYR A 13 4.620 4.622 -9.304 1.00 0.00 C ATOM 151 CZ TYR A 13 3.644 3.854 -9.905 1.00 0.00 C ATOM 152 OH TYR A 13 2.477 4.443 -10.335 1.00 0.00 O ATOM 0 H TYR A 13 7.809 2.833 -5.988 1.00 0.00 H new ATOM 0 HA TYR A 13 6.252 0.657 -7.260 1.00 0.00 H new ATOM 0 HB2 TYR A 13 8.055 2.783 -8.467 1.00 0.00 H new ATOM 0 HB3 TYR A 13 7.630 1.315 -9.323 1.00 0.00 H new ATOM 0 HD1 TYR A 13 5.151 0.850 -9.780 1.00 0.00 H new ATOM 0 HD2 TYR A 13 6.552 4.633 -8.406 1.00 0.00 H new ATOM 0 HE1 TYR A 13 3.068 1.900 -10.550 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.469 5.683 -9.170 1.00 0.00 H new ATOM 0 HH TYR A 13 2.503 5.402 -10.137 1.00 0.00 H new ATOM 162 N ASN A 14 8.610 0.045 -5.745 1.00 0.00 N ATOM 163 CA ASN A 14 9.738 -0.812 -5.394 1.00 0.00 C ATOM 164 C ASN A 14 9.259 -2.202 -4.988 1.00 0.00 C ATOM 165 O ASN A 14 8.419 -2.345 -4.099 1.00 0.00 O ATOM 166 CB ASN A 14 10.545 -0.186 -4.255 1.00 0.00 C ATOM 167 CG ASN A 14 11.102 1.176 -4.622 1.00 0.00 C ATOM 168 OD1 ASN A 14 11.630 1.369 -5.718 1.00 0.00 O ATOM 169 ND2 ASN A 14 10.987 2.129 -3.704 1.00 0.00 N ATOM 0 H ASN A 14 8.051 0.354 -4.950 1.00 0.00 H new ATOM 0 HA ASN A 14 10.376 -0.909 -6.272 1.00 0.00 H new ATOM 0 HB2 ASN A 14 9.911 -0.091 -3.374 1.00 0.00 H new ATOM 0 HB3 ASN A 14 11.366 -0.851 -3.987 1.00 0.00 H new ATOM 0 HD21 ASN A 14 11.344 3.066 -3.894 1.00 0.00 H new ATOM 0 HD22 ASN A 14 10.542 1.924 -2.809 1.00 0.00 H new ATOM 176 N ARG A 15 9.799 -3.223 -5.645 1.00 0.00 N ATOM 177 CA ARG A 15 9.426 -4.602 -5.353 1.00 0.00 C ATOM 178 C ARG A 15 9.432 -4.861 -3.849 1.00 0.00 C ATOM 179 O ARG A 15 10.425 -4.604 -3.169 1.00 0.00 O ATOM 180 CB ARG A 15 10.382 -5.570 -6.052 1.00 0.00 C ATOM 181 CG ARG A 15 10.650 -5.218 -7.506 1.00 0.00 C ATOM 182 CD ARG A 15 11.059 -6.443 -8.309 1.00 0.00 C ATOM 183 NE ARG A 15 11.252 -6.130 -9.723 1.00 0.00 N ATOM 184 CZ ARG A 15 11.299 -7.051 -10.679 1.00 0.00 C ATOM 185 NH1 ARG A 15 11.165 -8.335 -10.376 1.00 0.00 N ATOM 186 NH2 ARG A 15 11.479 -6.688 -11.943 1.00 0.00 N ATOM 0 H ARG A 15 10.496 -3.122 -6.383 1.00 0.00 H new ATOM 0 HA ARG A 15 8.416 -4.766 -5.728 1.00 0.00 H new ATOM 0 HB2 ARG A 15 11.328 -5.587 -5.511 1.00 0.00 H new ATOM 0 HB3 ARG A 15 9.967 -6.577 -6.001 1.00 0.00 H new ATOM 0 HG2 ARG A 15 9.756 -4.775 -7.945 1.00 0.00 H new ATOM 0 HG3 ARG A 15 11.437 -4.466 -7.560 1.00 0.00 H new ATOM 0 HD2 ARG A 15 11.982 -6.854 -7.899 1.00 0.00 H new ATOM 0 HD3 ARG A 15 10.295 -7.214 -8.209 1.00 0.00 H new ATOM 0 HE ARG A 15 11.356 -5.151 -9.991 1.00 0.00 H new ATOM 0 HH11 ARG A 15 11.025 -8.618 -9.406 1.00 0.00 H new ATOM 0 HH12 ARG A 15 11.202 -9.039 -11.113 1.00 0.00 H new ATOM 0 HH21 ARG A 15 11.581 -5.701 -12.181 1.00 0.00 H new ATOM 0 HH22 ARG A 15 11.515 -7.396 -12.677 1.00 0.00 H new ATOM 200 N GLY A 16 8.316 -5.370 -3.336 1.00 0.00 N ATOM 201 CA GLY A 16 8.215 -5.654 -1.916 1.00 0.00 C ATOM 202 C GLY A 16 7.433 -4.593 -1.167 1.00 0.00 C ATOM 203 O GLY A 16 6.948 -4.833 -0.061 1.00 0.00 O ATOM 0 H GLY A 16 7.480 -5.591 -3.878 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.734 -6.622 -1.775 1.00 0.00 H new ATOM 0 HA3 GLY A 16 9.216 -5.730 -1.492 1.00 0.00 H new ATOM 207 N CYS A 17 7.312 -3.414 -1.769 1.00 0.00 N ATOM 208 CA CYS A 17 6.587 -2.311 -1.152 1.00 0.00 C ATOM 209 C CYS A 17 5.271 -2.050 -1.880 1.00 0.00 C ATOM 210 O CYS A 17 4.193 -2.329 -1.355 1.00 0.00 O ATOM 211 CB CYS A 17 7.444 -1.043 -1.156 1.00 0.00 C ATOM 212 SG CYS A 17 7.125 0.075 0.245 1.00 0.00 S ATOM 0 H CYS A 17 7.707 -3.199 -2.684 1.00 0.00 H new ATOM 0 HA CYS A 17 6.364 -2.588 -0.122 1.00 0.00 H new ATOM 0 HB2 CYS A 17 8.496 -1.328 -1.147 1.00 0.00 H new ATOM 0 HB3 CYS A 17 7.269 -0.502 -2.086 1.00 0.00 H new ATOM 217 N GLY A 18 5.367 -1.514 -3.092 1.00 0.00 N ATOM 218 CA GLY A 18 4.179 -1.225 -3.872 1.00 0.00 C ATOM 219 C GLY A 18 3.128 -0.478 -3.074 1.00 0.00 C ATOM 220 O GLY A 18 1.958 -0.443 -3.455 1.00 0.00 O ATOM 0 H GLY A 18 6.247 -1.275 -3.548 1.00 0.00 H new ATOM 0 HA2 GLY A 18 4.456 -0.634 -4.745 1.00 0.00 H new ATOM 0 HA3 GLY A 18 3.755 -2.159 -4.241 1.00 0.00 H new ATOM 224 N GLN A 19 3.547 0.119 -1.963 1.00 0.00 N ATOM 225 CA GLN A 19 2.632 0.867 -1.108 1.00 0.00 C ATOM 226 C GLN A 19 2.842 2.369 -1.267 1.00 0.00 C ATOM 227 O GLN A 19 3.827 2.808 -1.862 1.00 0.00 O ATOM 228 CB GLN A 19 2.825 0.466 0.356 1.00 0.00 C ATOM 229 CG GLN A 19 2.403 -0.964 0.656 1.00 0.00 C ATOM 230 CD GLN A 19 1.019 -1.047 1.268 1.00 0.00 C ATOM 231 OE1 GLN A 19 0.770 -0.505 2.345 1.00 0.00 O ATOM 232 NE2 GLN A 19 0.109 -1.728 0.583 1.00 0.00 N ATOM 0 H GLN A 19 4.512 0.100 -1.634 1.00 0.00 H new ATOM 0 HA GLN A 19 1.613 0.627 -1.412 1.00 0.00 H new ATOM 0 HB2 GLN A 19 3.875 0.590 0.623 1.00 0.00 H new ATOM 0 HB3 GLN A 19 2.253 1.145 0.988 1.00 0.00 H new ATOM 0 HG2 GLN A 19 2.424 -1.546 -0.265 1.00 0.00 H new ATOM 0 HG3 GLN A 19 3.125 -1.417 1.336 1.00 0.00 H new ATOM 0 HE21 GLN A 19 0.359 -2.161 -0.306 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -0.840 -1.818 0.945 1.00 0.00 H new ATOM 241 N ARG A 20 1.911 3.152 -0.733 1.00 0.00 N ATOM 242 CA ARG A 20 1.995 4.605 -0.818 1.00 0.00 C ATOM 243 C ARG A 20 3.017 5.150 0.174 1.00 0.00 C ATOM 244 O ARG A 20 3.573 4.405 0.982 1.00 0.00 O ATOM 245 CB ARG A 20 0.624 5.232 -0.551 1.00 0.00 C ATOM 246 CG ARG A 20 -0.388 4.974 -1.654 1.00 0.00 C ATOM 247 CD ARG A 20 -0.304 6.028 -2.747 1.00 0.00 C ATOM 248 NE ARG A 20 -1.588 6.234 -3.411 1.00 0.00 N ATOM 249 CZ ARG A 20 -2.078 5.414 -4.334 1.00 0.00 C ATOM 250 NH1 ARG A 20 -1.394 4.338 -4.700 1.00 0.00 N ATOM 251 NH2 ARG A 20 -3.254 5.668 -4.893 1.00 0.00 N ATOM 0 H ARG A 20 1.090 2.805 -0.237 1.00 0.00 H new ATOM 0 HA ARG A 20 2.318 4.867 -1.826 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.232 4.842 0.388 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.744 6.308 -0.424 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.215 3.988 -2.084 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.393 4.966 -1.232 1.00 0.00 H new ATOM 0 HD2 ARG A 20 0.036 6.970 -2.316 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.441 5.727 -3.484 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.139 7.052 -3.152 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -0.490 4.139 -4.272 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -1.772 3.710 -5.409 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.783 6.494 -4.614 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -3.629 5.037 -5.602 1.00 0.00 H new ATOM 265 N PHE A 21 3.261 6.455 0.107 1.00 0.00 N ATOM 266 CA PHE A 21 4.219 7.100 0.999 1.00 0.00 C ATOM 267 C PHE A 21 4.175 8.617 0.838 1.00 0.00 C ATOM 268 O PHE A 21 3.646 9.132 -0.147 1.00 0.00 O ATOM 269 CB PHE A 21 5.634 6.587 0.720 1.00 0.00 C ATOM 270 CG PHE A 21 6.191 7.051 -0.595 1.00 0.00 C ATOM 271 CD1 PHE A 21 5.938 6.344 -1.759 1.00 0.00 C ATOM 272 CD2 PHE A 21 6.969 8.195 -0.666 1.00 0.00 C ATOM 273 CE1 PHE A 21 6.450 6.769 -2.970 1.00 0.00 C ATOM 274 CE2 PHE A 21 7.483 8.626 -1.875 1.00 0.00 C ATOM 275 CZ PHE A 21 7.224 7.911 -3.028 1.00 0.00 C ATOM 0 H PHE A 21 2.809 7.086 -0.555 1.00 0.00 H new ATOM 0 HA PHE A 21 3.946 6.853 2.025 1.00 0.00 H new ATOM 0 HB2 PHE A 21 6.296 6.915 1.522 1.00 0.00 H new ATOM 0 HB3 PHE A 21 5.627 5.497 0.738 1.00 0.00 H new ATOM 0 HD1 PHE A 21 5.333 5.450 -1.720 1.00 0.00 H new ATOM 0 HD2 PHE A 21 7.176 8.756 0.233 1.00 0.00 H new ATOM 0 HE1 PHE A 21 6.245 6.209 -3.870 1.00 0.00 H new ATOM 0 HE2 PHE A 21 8.086 9.521 -1.918 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.626 8.245 -3.973 1.00 0.00 H new ATOM 285 N ASP A 22 4.734 9.325 1.812 1.00 0.00 N ATOM 286 CA ASP A 22 4.761 10.783 1.779 1.00 0.00 C ATOM 287 C ASP A 22 6.150 11.293 1.411 1.00 0.00 C ATOM 288 O ASP A 22 7.158 10.912 2.008 1.00 0.00 O ATOM 289 CB ASP A 22 4.337 11.352 3.134 1.00 0.00 C ATOM 290 CG ASP A 22 3.148 10.620 3.724 1.00 0.00 C ATOM 291 OD1 ASP A 22 2.099 10.553 3.050 1.00 0.00 O ATOM 292 OD2 ASP A 22 3.266 10.113 4.859 1.00 0.00 O ATOM 0 H ASP A 22 5.175 8.914 2.635 1.00 0.00 H new ATOM 0 HA ASP A 22 4.058 11.118 1.017 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.176 11.294 3.827 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.090 12.407 3.020 1.00 0.00 H new ATOM 297 N PRO A 23 6.209 12.176 0.403 1.00 0.00 N ATOM 298 CA PRO A 23 7.469 12.758 -0.068 1.00 0.00 C ATOM 299 C PRO A 23 8.076 13.724 0.944 1.00 0.00 C ATOM 300 O PRO A 23 9.280 13.695 1.198 1.00 0.00 O ATOM 301 CB PRO A 23 7.062 13.503 -1.342 1.00 0.00 C ATOM 302 CG PRO A 23 5.618 13.816 -1.152 1.00 0.00 C ATOM 303 CD PRO A 23 5.049 12.676 -0.354 1.00 0.00 C ATOM 0 HA PRO A 23 8.234 11.998 -0.229 1.00 0.00 H new ATOM 0 HB2 PRO A 23 7.650 14.411 -1.475 1.00 0.00 H new ATOM 0 HB3 PRO A 23 7.221 12.888 -2.228 1.00 0.00 H new ATOM 0 HG2 PRO A 23 5.490 14.762 -0.627 1.00 0.00 H new ATOM 0 HG3 PRO A 23 5.110 13.913 -2.112 1.00 0.00 H new ATOM 0 HD2 PRO A 23 4.250 13.009 0.309 1.00 0.00 H new ATOM 0 HD3 PRO A 23 4.628 11.905 -0.999 1.00 0.00 H new ATOM 311 N GLU A 24 7.234 14.578 1.518 1.00 0.00 N ATOM 312 CA GLU A 24 7.689 15.554 2.501 1.00 0.00 C ATOM 313 C GLU A 24 8.226 14.858 3.749 1.00 0.00 C ATOM 314 O GLU A 24 8.877 15.480 4.590 1.00 0.00 O ATOM 315 CB GLU A 24 6.547 16.498 2.883 1.00 0.00 C ATOM 316 CG GLU A 24 5.174 15.854 2.803 1.00 0.00 C ATOM 317 CD GLU A 24 4.488 16.106 1.474 1.00 0.00 C ATOM 318 OE1 GLU A 24 4.997 16.932 0.690 1.00 0.00 O ATOM 319 OE2 GLU A 24 3.438 15.477 1.220 1.00 0.00 O ATOM 0 H GLU A 24 6.234 14.614 1.319 1.00 0.00 H new ATOM 0 HA GLU A 24 8.495 16.134 2.052 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.711 16.861 3.898 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.570 17.368 2.226 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.271 14.780 2.960 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.549 16.238 3.609 1.00 0.00 H new ATOM 326 N THR A 25 7.950 13.563 3.863 1.00 0.00 N ATOM 327 CA THR A 25 8.403 12.782 5.007 1.00 0.00 C ATOM 328 C THR A 25 9.306 11.636 4.568 1.00 0.00 C ATOM 329 O THR A 25 10.033 11.062 5.377 1.00 0.00 O ATOM 330 CB THR A 25 7.214 12.207 5.801 1.00 0.00 C ATOM 331 OG1 THR A 25 6.849 10.926 5.276 1.00 0.00 O ATOM 332 CG2 THR A 25 6.017 13.145 5.740 1.00 0.00 C ATOM 0 H THR A 25 7.414 13.032 3.176 1.00 0.00 H new ATOM 0 HA THR A 25 8.966 13.460 5.649 1.00 0.00 H new ATOM 0 HB THR A 25 7.519 12.100 6.842 1.00 0.00 H new ATOM 0 HG1 THR A 25 6.094 10.566 5.787 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.190 12.718 6.308 1.00 0.00 H new ATOM 0 HG22 THR A 25 6.289 14.110 6.167 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.713 13.280 4.702 1.00 0.00 H new ATOM 340 N ASN A 26 9.257 11.310 3.281 1.00 0.00 N ATOM 341 CA ASN A 26 10.073 10.232 2.733 1.00 0.00 C ATOM 342 C ASN A 26 11.514 10.339 3.223 1.00 0.00 C ATOM 343 O ASN A 26 12.063 11.435 3.333 1.00 0.00 O ATOM 344 CB ASN A 26 10.038 10.264 1.204 1.00 0.00 C ATOM 345 CG ASN A 26 10.896 9.178 0.584 1.00 0.00 C ATOM 346 OD1 ASN A 26 11.983 8.873 1.075 1.00 0.00 O ATOM 347 ND2 ASN A 26 10.410 8.588 -0.502 1.00 0.00 N ATOM 0 H ASN A 26 8.661 11.777 2.597 1.00 0.00 H new ATOM 0 HA ASN A 26 9.660 9.285 3.079 1.00 0.00 H new ATOM 0 HB2 ASN A 26 9.009 10.149 0.864 1.00 0.00 H new ATOM 0 HB3 ASN A 26 10.381 11.238 0.856 1.00 0.00 H new ATOM 0 HD21 ASN A 26 10.942 7.850 -0.963 1.00 0.00 H new ATOM 0 HD22 ASN A 26 9.504 8.873 -0.875 1.00 0.00 H new ATOM 354 N SER A 27 12.122 9.193 3.514 1.00 0.00 N ATOM 355 CA SER A 27 13.497 9.157 3.994 1.00 0.00 C ATOM 356 C SER A 27 14.222 7.919 3.474 1.00 0.00 C ATOM 357 O SER A 27 13.604 7.013 2.915 1.00 0.00 O ATOM 358 CB SER A 27 13.526 9.173 5.524 1.00 0.00 C ATOM 359 OG SER A 27 13.035 10.403 6.030 1.00 0.00 O ATOM 0 H SER A 27 11.683 8.277 3.425 1.00 0.00 H new ATOM 0 HA SER A 27 14.010 10.042 3.618 1.00 0.00 H new ATOM 0 HB2 SER A 27 12.924 8.351 5.911 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.546 9.014 5.873 1.00 0.00 H new ATOM 0 HG SER A 27 12.073 10.468 5.854 1.00 0.00 H new ATOM 365 N ASP A 28 15.538 7.889 3.662 1.00 0.00 N ATOM 366 CA ASP A 28 16.348 6.764 3.213 1.00 0.00 C ATOM 367 C ASP A 28 16.059 5.518 4.045 1.00 0.00 C ATOM 368 O ASP A 28 16.541 4.428 3.738 1.00 0.00 O ATOM 369 CB ASP A 28 17.835 7.113 3.297 1.00 0.00 C ATOM 370 CG ASP A 28 18.726 5.909 3.064 1.00 0.00 C ATOM 371 OD1 ASP A 28 18.921 5.122 4.014 1.00 0.00 O ATOM 372 OD2 ASP A 28 19.229 5.754 1.932 1.00 0.00 O ATOM 0 H ASP A 28 16.065 8.631 4.122 1.00 0.00 H new ATOM 0 HA ASP A 28 16.089 6.554 2.175 1.00 0.00 H new ATOM 0 HB2 ASP A 28 18.067 7.881 2.560 1.00 0.00 H new ATOM 0 HB3 ASP A 28 18.051 7.537 4.278 1.00 0.00 H new ATOM 377 N ASP A 29 15.268 5.689 5.100 1.00 0.00 N ATOM 378 CA ASP A 29 14.913 4.579 5.976 1.00 0.00 C ATOM 379 C ASP A 29 13.410 4.546 6.229 1.00 0.00 C ATOM 380 O ASP A 29 12.960 4.201 7.322 1.00 0.00 O ATOM 381 CB ASP A 29 15.663 4.690 7.304 1.00 0.00 C ATOM 382 CG ASP A 29 15.257 5.916 8.098 1.00 0.00 C ATOM 383 OD1 ASP A 29 15.720 7.025 7.757 1.00 0.00 O ATOM 384 OD2 ASP A 29 14.476 5.767 9.061 1.00 0.00 O ATOM 0 H ASP A 29 14.861 6.585 5.368 1.00 0.00 H new ATOM 0 HA ASP A 29 15.201 3.651 5.481 1.00 0.00 H new ATOM 0 HB2 ASP A 29 15.475 3.797 7.900 1.00 0.00 H new ATOM 0 HB3 ASP A 29 16.735 4.725 7.111 1.00 0.00 H new ATOM 389 N ALA A 30 12.635 4.909 5.212 1.00 0.00 N ATOM 390 CA ALA A 30 11.181 4.919 5.323 1.00 0.00 C ATOM 391 C ALA A 30 10.549 3.933 4.348 1.00 0.00 C ATOM 392 O ALA A 30 9.367 3.603 4.461 1.00 0.00 O ATOM 393 CB ALA A 30 10.644 6.322 5.082 1.00 0.00 C ATOM 0 H ALA A 30 12.990 5.200 4.301 1.00 0.00 H new ATOM 0 HA ALA A 30 10.916 4.609 6.334 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.557 6.315 5.168 1.00 0.00 H new ATOM 0 HB2 ALA A 30 11.062 7.004 5.822 1.00 0.00 H new ATOM 0 HB3 ALA A 30 10.927 6.653 4.083 1.00 0.00 H new ATOM 399 N CYS A 31 11.340 3.467 3.388 1.00 0.00 N ATOM 400 CA CYS A 31 10.858 2.519 2.391 1.00 0.00 C ATOM 401 C CYS A 31 11.608 1.194 2.492 1.00 0.00 C ATOM 402 O CYS A 31 12.840 1.165 2.526 1.00 0.00 O ATOM 403 CB CYS A 31 11.017 3.101 0.985 1.00 0.00 C ATOM 404 SG CYS A 31 10.550 1.954 -0.351 1.00 0.00 S ATOM 0 H CYS A 31 12.319 3.731 3.279 1.00 0.00 H new ATOM 0 HA CYS A 31 9.801 2.334 2.584 1.00 0.00 H new ATOM 0 HB2 CYS A 31 10.409 4.002 0.905 1.00 0.00 H new ATOM 0 HB3 CYS A 31 12.055 3.404 0.844 1.00 0.00 H new ATOM 409 N THR A 32 10.858 0.098 2.539 1.00 0.00 N ATOM 410 CA THR A 32 11.451 -1.230 2.637 1.00 0.00 C ATOM 411 C THR A 32 11.097 -2.081 1.422 1.00 0.00 C ATOM 412 O THR A 32 10.007 -2.647 1.344 1.00 0.00 O ATOM 413 CB THR A 32 10.986 -1.960 3.912 1.00 0.00 C ATOM 414 OG1 THR A 32 10.771 -1.015 4.967 1.00 0.00 O ATOM 415 CG2 THR A 32 12.014 -2.992 4.350 1.00 0.00 C ATOM 0 H THR A 32 9.838 0.104 2.511 1.00 0.00 H new ATOM 0 HA THR A 32 12.531 -1.091 2.679 1.00 0.00 H new ATOM 0 HB THR A 32 10.051 -2.474 3.689 1.00 0.00 H new ATOM 0 HG1 THR A 32 10.474 -1.487 5.773 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.664 -3.494 5.252 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.153 -3.726 3.557 1.00 0.00 H new ATOM 0 HG23 THR A 32 12.962 -2.496 4.556 1.00 0.00 H new ATOM 423 N TYR A 33 12.026 -2.166 0.477 1.00 0.00 N ATOM 424 CA TYR A 33 11.813 -2.947 -0.736 1.00 0.00 C ATOM 425 C TYR A 33 12.931 -3.967 -0.932 1.00 0.00 C ATOM 426 O TYR A 33 13.814 -4.107 -0.086 1.00 0.00 O ATOM 427 CB TYR A 33 11.730 -2.024 -1.954 1.00 0.00 C ATOM 428 CG TYR A 33 12.986 -1.213 -2.184 1.00 0.00 C ATOM 429 CD1 TYR A 33 13.240 -0.066 -1.443 1.00 0.00 C ATOM 430 CD2 TYR A 33 13.915 -1.594 -3.144 1.00 0.00 C ATOM 431 CE1 TYR A 33 14.385 0.679 -1.651 1.00 0.00 C ATOM 432 CE2 TYR A 33 15.063 -0.856 -3.358 1.00 0.00 C ATOM 433 CZ TYR A 33 15.295 0.280 -2.610 1.00 0.00 C ATOM 434 OH TYR A 33 16.437 1.018 -2.819 1.00 0.00 O ATOM 0 H TYR A 33 12.934 -1.704 0.527 1.00 0.00 H new ATOM 0 HA TYR A 33 10.871 -3.484 -0.630 1.00 0.00 H new ATOM 0 HB2 TYR A 33 11.527 -2.624 -2.841 1.00 0.00 H new ATOM 0 HB3 TYR A 33 10.887 -1.345 -1.828 1.00 0.00 H new ATOM 0 HD1 TYR A 33 12.531 0.249 -0.692 1.00 0.00 H new ATOM 0 HD2 TYR A 33 13.737 -2.482 -3.733 1.00 0.00 H new ATOM 0 HE1 TYR A 33 14.567 1.569 -1.067 1.00 0.00 H new ATOM 0 HE2 TYR A 33 15.776 -1.167 -4.107 1.00 0.00 H new ATOM 0 HH TYR A 33 16.971 0.601 -3.527 1.00 0.00 H new ATOM 444 N HIS A 34 12.885 -4.677 -2.055 1.00 0.00 N ATOM 445 CA HIS A 34 13.894 -5.684 -2.364 1.00 0.00 C ATOM 446 C HIS A 34 14.668 -5.308 -3.623 1.00 0.00 C ATOM 447 O HIS A 34 14.153 -5.369 -4.740 1.00 0.00 O ATOM 448 CB HIS A 34 13.240 -7.054 -2.544 1.00 0.00 C ATOM 449 CG HIS A 34 12.615 -7.588 -1.292 1.00 0.00 C ATOM 450 ND1 HIS A 34 13.351 -8.040 -0.217 1.00 0.00 N ATOM 451 CD2 HIS A 34 11.316 -7.740 -0.946 1.00 0.00 C ATOM 452 CE1 HIS A 34 12.531 -8.448 0.735 1.00 0.00 C ATOM 453 NE2 HIS A 34 11.290 -8.277 0.318 1.00 0.00 N ATOM 0 H HIS A 34 12.160 -4.574 -2.765 1.00 0.00 H new ATOM 0 HA HIS A 34 14.593 -5.731 -1.529 1.00 0.00 H new ATOM 0 HB2 HIS A 34 12.478 -6.984 -3.320 1.00 0.00 H new ATOM 0 HB3 HIS A 34 13.990 -7.762 -2.897 1.00 0.00 H new ATOM 0 HD2 HIS A 34 10.458 -7.486 -1.551 1.00 0.00 H new ATOM 0 HE1 HIS A 34 12.826 -8.853 1.692 1.00 0.00 H new ATOM 0 HE2 HIS A 34 10.449 -8.506 0.848 1.00 0.00 H new ATOM 461 N PRO A 35 15.936 -4.908 -3.442 1.00 0.00 N ATOM 462 CA PRO A 35 16.809 -4.513 -4.552 1.00 0.00 C ATOM 463 C PRO A 35 17.205 -5.698 -5.427 1.00 0.00 C ATOM 464 O PRO A 35 17.974 -5.551 -6.375 1.00 0.00 O ATOM 465 CB PRO A 35 18.038 -3.934 -3.848 1.00 0.00 C ATOM 466 CG PRO A 35 18.056 -4.592 -2.512 1.00 0.00 C ATOM 467 CD PRO A 35 16.615 -4.810 -2.139 1.00 0.00 C ATOM 0 HA PRO A 35 16.318 -3.812 -5.227 1.00 0.00 H new ATOM 0 HB2 PRO A 35 18.950 -4.146 -4.406 1.00 0.00 H new ATOM 0 HB3 PRO A 35 17.966 -2.850 -3.754 1.00 0.00 H new ATOM 0 HG2 PRO A 35 18.597 -5.538 -2.550 1.00 0.00 H new ATOM 0 HG3 PRO A 35 18.560 -3.966 -1.775 1.00 0.00 H new ATOM 0 HD2 PRO A 35 16.486 -5.717 -1.549 1.00 0.00 H new ATOM 0 HD3 PRO A 35 16.225 -3.985 -1.544 1.00 0.00 H new ATOM 475 N GLY A 36 16.671 -6.872 -5.102 1.00 0.00 N ATOM 476 CA GLY A 36 16.981 -8.064 -5.869 1.00 0.00 C ATOM 477 C GLY A 36 15.862 -8.452 -6.816 1.00 0.00 C ATOM 478 O GLY A 36 15.128 -7.593 -7.305 1.00 0.00 O ATOM 0 H GLY A 36 16.030 -7.018 -4.322 1.00 0.00 H new ATOM 0 HA2 GLY A 36 17.895 -7.898 -6.440 1.00 0.00 H new ATOM 0 HA3 GLY A 36 17.178 -8.891 -5.186 1.00 0.00 H new ATOM 482 N VAL A 37 15.733 -9.749 -7.076 1.00 0.00 N ATOM 483 CA VAL A 37 14.695 -10.248 -7.971 1.00 0.00 C ATOM 484 C VAL A 37 14.030 -11.495 -7.400 1.00 0.00 C ATOM 485 O VAL A 37 14.611 -12.228 -6.599 1.00 0.00 O ATOM 486 CB VAL A 37 15.266 -10.577 -9.364 1.00 0.00 C ATOM 487 CG1 VAL A 37 15.184 -9.362 -10.275 1.00 0.00 C ATOM 488 CG2 VAL A 37 16.701 -11.071 -9.248 1.00 0.00 C ATOM 0 H VAL A 37 16.333 -10.473 -6.680 1.00 0.00 H new ATOM 0 HA VAL A 37 13.953 -9.456 -8.068 1.00 0.00 H new ATOM 0 HB VAL A 37 14.666 -11.373 -9.805 1.00 0.00 H new ATOM 0 HG11 VAL A 37 15.592 -9.613 -11.254 1.00 0.00 H new ATOM 0 HG12 VAL A 37 14.143 -9.058 -10.383 1.00 0.00 H new ATOM 0 HG13 VAL A 37 15.759 -8.543 -9.842 1.00 0.00 H new ATOM 0 HG21 VAL A 37 17.089 -11.299 -10.241 1.00 0.00 H new ATOM 0 HG22 VAL A 37 17.316 -10.298 -8.787 1.00 0.00 H new ATOM 0 HG23 VAL A 37 16.728 -11.971 -8.633 1.00 0.00 H new ATOM 498 N PRO A 38 12.781 -11.745 -7.820 1.00 0.00 N ATOM 499 CA PRO A 38 12.010 -12.904 -7.363 1.00 0.00 C ATOM 500 C PRO A 38 12.559 -14.218 -7.908 1.00 0.00 C ATOM 501 O PRO A 38 12.524 -14.465 -9.113 1.00 0.00 O ATOM 502 CB PRO A 38 10.608 -12.639 -7.920 1.00 0.00 C ATOM 503 CG PRO A 38 10.830 -11.764 -9.105 1.00 0.00 C ATOM 504 CD PRO A 38 12.026 -10.914 -8.773 1.00 0.00 C ATOM 0 HA PRO A 38 12.040 -13.011 -6.279 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.112 -13.568 -8.201 1.00 0.00 H new ATOM 0 HB3 PRO A 38 9.974 -12.150 -7.180 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.010 -12.358 -10.001 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.955 -11.146 -9.303 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.615 -10.685 -9.661 1.00 0.00 H new ATOM 0 HD3 PRO A 38 11.732 -9.962 -8.331 1.00 0.00 H new ATOM 512 N VAL A 39 13.066 -15.059 -7.012 1.00 0.00 N ATOM 513 CA VAL A 39 13.622 -16.349 -7.403 1.00 0.00 C ATOM 514 C VAL A 39 12.774 -17.497 -6.868 1.00 0.00 C ATOM 515 O VAL A 39 12.091 -17.359 -5.854 1.00 0.00 O ATOM 516 CB VAL A 39 15.068 -16.513 -6.896 1.00 0.00 C ATOM 517 CG1 VAL A 39 15.222 -15.898 -5.514 1.00 0.00 C ATOM 518 CG2 VAL A 39 15.462 -17.982 -6.882 1.00 0.00 C ATOM 0 H VAL A 39 13.103 -14.870 -6.010 1.00 0.00 H new ATOM 0 HA VAL A 39 13.621 -16.378 -8.493 1.00 0.00 H new ATOM 0 HB VAL A 39 15.737 -15.987 -7.577 1.00 0.00 H new ATOM 0 HG11 VAL A 39 16.249 -16.023 -5.172 1.00 0.00 H new ATOM 0 HG12 VAL A 39 14.982 -14.836 -5.560 1.00 0.00 H new ATOM 0 HG13 VAL A 39 14.545 -16.393 -4.818 1.00 0.00 H new ATOM 0 HG21 VAL A 39 16.486 -18.081 -6.521 1.00 0.00 H new ATOM 0 HG22 VAL A 39 14.791 -18.533 -6.223 1.00 0.00 H new ATOM 0 HG23 VAL A 39 15.392 -18.387 -7.892 1.00 0.00 H new ATOM 528 N PHE A 40 12.823 -18.632 -7.558 1.00 0.00 N ATOM 529 CA PHE A 40 12.059 -19.806 -7.154 1.00 0.00 C ATOM 530 C PHE A 40 12.906 -21.071 -7.261 1.00 0.00 C ATOM 531 O PHE A 40 13.021 -21.666 -8.333 1.00 0.00 O ATOM 532 CB PHE A 40 10.803 -19.946 -8.018 1.00 0.00 C ATOM 533 CG PHE A 40 10.278 -18.635 -8.528 1.00 0.00 C ATOM 534 CD1 PHE A 40 9.918 -17.627 -7.648 1.00 0.00 C ATOM 535 CD2 PHE A 40 10.144 -18.410 -9.889 1.00 0.00 C ATOM 536 CE1 PHE A 40 9.434 -16.419 -8.115 1.00 0.00 C ATOM 537 CE2 PHE A 40 9.662 -17.204 -10.362 1.00 0.00 C ATOM 538 CZ PHE A 40 9.306 -16.208 -9.474 1.00 0.00 C ATOM 0 H PHE A 40 13.384 -18.763 -8.400 1.00 0.00 H new ATOM 0 HA PHE A 40 11.764 -19.675 -6.113 1.00 0.00 H new ATOM 0 HB2 PHE A 40 11.025 -20.594 -8.866 1.00 0.00 H new ATOM 0 HB3 PHE A 40 10.024 -20.439 -7.436 1.00 0.00 H new ATOM 0 HD1 PHE A 40 10.017 -17.787 -6.584 1.00 0.00 H new ATOM 0 HD2 PHE A 40 10.419 -19.186 -10.588 1.00 0.00 H new ATOM 0 HE1 PHE A 40 9.157 -15.642 -7.418 1.00 0.00 H new ATOM 0 HE2 PHE A 40 9.564 -17.041 -11.425 1.00 0.00 H new ATOM 0 HZ PHE A 40 8.928 -15.265 -9.842 1.00 0.00 H new ATOM 548 N HIS A 41 13.500 -21.475 -6.141 1.00 0.00 N ATOM 549 CA HIS A 41 14.337 -22.668 -6.108 1.00 0.00 C ATOM 550 C HIS A 41 13.814 -23.670 -5.083 1.00 0.00 C ATOM 551 O HIS A 41 13.569 -23.320 -3.928 1.00 0.00 O ATOM 552 CB HIS A 41 15.782 -22.294 -5.781 1.00 0.00 C ATOM 553 CG HIS A 41 15.928 -21.525 -4.504 1.00 0.00 C ATOM 554 ND1 HIS A 41 16.733 -21.939 -3.464 1.00 0.00 N ATOM 555 CD2 HIS A 41 15.368 -20.360 -4.104 1.00 0.00 C ATOM 556 CE1 HIS A 41 16.660 -21.063 -2.478 1.00 0.00 C ATOM 557 NE2 HIS A 41 15.837 -20.094 -2.841 1.00 0.00 N ATOM 0 H HIS A 41 13.416 -20.993 -5.246 1.00 0.00 H new ATOM 0 HA HIS A 41 14.304 -23.132 -7.094 1.00 0.00 H new ATOM 0 HB2 HIS A 41 16.379 -23.204 -5.718 1.00 0.00 H new ATOM 0 HB3 HIS A 41 16.190 -21.702 -6.600 1.00 0.00 H new ATOM 0 HD1 HIS A 41 17.297 -22.789 -3.457 1.00 0.00 H new ATOM 0 HD2 HIS A 41 14.680 -19.752 -4.673 1.00 0.00 H new ATOM 0 HE1 HIS A 41 17.184 -21.127 -1.536 1.00 0.00 H new ATOM 565 N ASP A 42 13.646 -24.916 -5.512 1.00 0.00 N ATOM 566 CA ASP A 42 13.153 -25.968 -4.632 1.00 0.00 C ATOM 567 C ASP A 42 11.826 -25.568 -3.996 1.00 0.00 C ATOM 568 O ASP A 42 11.602 -25.792 -2.807 1.00 0.00 O ATOM 569 CB ASP A 42 14.182 -26.275 -3.542 1.00 0.00 C ATOM 570 CG ASP A 42 15.597 -26.342 -4.084 1.00 0.00 C ATOM 571 OD1 ASP A 42 15.754 -26.536 -5.308 1.00 0.00 O ATOM 572 OD2 ASP A 42 16.545 -26.200 -3.284 1.00 0.00 O ATOM 0 H ASP A 42 13.844 -25.222 -6.465 1.00 0.00 H new ATOM 0 HA ASP A 42 12.992 -26.863 -5.233 1.00 0.00 H new ATOM 0 HB2 ASP A 42 14.128 -25.508 -2.769 1.00 0.00 H new ATOM 0 HB3 ASP A 42 13.932 -27.224 -3.068 1.00 0.00 H new ATOM 577 N ALA A 43 10.948 -24.973 -4.797 1.00 0.00 N ATOM 578 CA ALA A 43 9.642 -24.541 -4.314 1.00 0.00 C ATOM 579 C ALA A 43 9.776 -23.395 -3.318 1.00 0.00 C ATOM 580 O ALA A 43 8.794 -22.969 -2.709 1.00 0.00 O ATOM 581 CB ALA A 43 8.901 -25.710 -3.680 1.00 0.00 C ATOM 0 H ALA A 43 11.118 -24.779 -5.784 1.00 0.00 H new ATOM 0 HA ALA A 43 9.068 -24.180 -5.167 1.00 0.00 H new ATOM 0 HB1 ALA A 43 7.927 -25.373 -3.324 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.764 -26.498 -4.420 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.480 -26.096 -2.842 1.00 0.00 H new ATOM 587 N LEU A 44 10.998 -22.900 -3.154 1.00 0.00 N ATOM 588 CA LEU A 44 11.262 -21.802 -2.231 1.00 0.00 C ATOM 589 C LEU A 44 11.340 -20.472 -2.973 1.00 0.00 C ATOM 590 O LEU A 44 12.372 -20.132 -3.552 1.00 0.00 O ATOM 591 CB LEU A 44 12.566 -22.052 -1.469 1.00 0.00 C ATOM 592 CG LEU A 44 12.824 -23.495 -1.038 1.00 0.00 C ATOM 593 CD1 LEU A 44 14.230 -23.641 -0.477 1.00 0.00 C ATOM 594 CD2 LEU A 44 11.792 -23.939 -0.012 1.00 0.00 C ATOM 0 H LEU A 44 11.822 -23.242 -3.649 1.00 0.00 H new ATOM 0 HA LEU A 44 10.437 -21.752 -1.521 1.00 0.00 H new ATOM 0 HB2 LEU A 44 13.397 -21.726 -2.094 1.00 0.00 H new ATOM 0 HB3 LEU A 44 12.570 -21.422 -0.580 1.00 0.00 H new ATOM 0 HG LEU A 44 12.735 -24.136 -1.915 1.00 0.00 H new ATOM 0 HD11 LEU A 44 14.396 -24.675 -0.175 1.00 0.00 H new ATOM 0 HD12 LEU A 44 14.957 -23.365 -1.241 1.00 0.00 H new ATOM 0 HD13 LEU A 44 14.346 -22.988 0.388 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.992 -24.969 0.283 1.00 0.00 H new ATOM 0 HD22 LEU A 44 11.849 -23.293 0.864 1.00 0.00 H new ATOM 0 HD23 LEU A 44 10.795 -23.873 -0.447 1.00 0.00 H new ATOM 606 N LYS A 45 10.243 -19.722 -2.951 1.00 0.00 N ATOM 607 CA LYS A 45 10.188 -18.427 -3.619 1.00 0.00 C ATOM 608 C LYS A 45 10.751 -17.329 -2.724 1.00 0.00 C ATOM 609 O LYS A 45 10.210 -17.046 -1.656 1.00 0.00 O ATOM 610 CB LYS A 45 8.747 -18.093 -4.008 1.00 0.00 C ATOM 611 CG LYS A 45 8.059 -19.192 -4.800 1.00 0.00 C ATOM 612 CD LYS A 45 6.554 -18.987 -4.849 1.00 0.00 C ATOM 613 CE LYS A 45 5.853 -19.728 -3.720 1.00 0.00 C ATOM 614 NZ LYS A 45 6.181 -19.148 -2.388 1.00 0.00 N ATOM 0 H LYS A 45 9.380 -19.989 -2.478 1.00 0.00 H new ATOM 0 HA LYS A 45 10.798 -18.485 -4.521 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.172 -17.895 -3.103 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.742 -17.175 -4.596 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.457 -19.214 -5.814 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.281 -20.159 -4.349 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.328 -17.923 -4.782 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.169 -19.335 -5.808 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.775 -19.692 -3.876 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.143 -20.779 -3.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.549 -19.552 -1.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.168 -19.370 -2.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.056 -18.116 -2.418 1.00 0.00 H new ATOM 628 N GLY A 46 11.842 -16.711 -3.168 1.00 0.00 N ATOM 629 CA GLY A 46 12.460 -15.649 -2.395 1.00 0.00 C ATOM 630 C GLY A 46 13.077 -14.578 -3.271 1.00 0.00 C ATOM 631 O GLY A 46 12.622 -14.344 -4.391 1.00 0.00 O ATOM 0 H GLY A 46 12.309 -16.927 -4.049 1.00 0.00 H new ATOM 0 HA2 GLY A 46 11.713 -15.195 -1.744 1.00 0.00 H new ATOM 0 HA3 GLY A 46 13.229 -16.074 -1.750 1.00 0.00 H new ATOM 635 N TRP A 47 14.115 -13.924 -2.762 1.00 0.00 N ATOM 636 CA TRP A 47 14.795 -12.870 -3.506 1.00 0.00 C ATOM 637 C TRP A 47 16.309 -13.023 -3.409 1.00 0.00 C ATOM 638 O TRP A 47 16.828 -13.522 -2.411 1.00 0.00 O ATOM 639 CB TRP A 47 14.375 -11.496 -2.983 1.00 0.00 C ATOM 640 CG TRP A 47 12.896 -11.260 -3.053 1.00 0.00 C ATOM 641 CD1 TRP A 47 11.951 -11.714 -2.178 1.00 0.00 C ATOM 642 CD2 TRP A 47 12.194 -10.515 -4.054 1.00 0.00 C ATOM 643 NE1 TRP A 47 10.703 -11.296 -2.574 1.00 0.00 N ATOM 644 CE2 TRP A 47 10.826 -10.558 -3.722 1.00 0.00 C ATOM 645 CE3 TRP A 47 12.587 -9.814 -5.197 1.00 0.00 C ATOM 646 CZ2 TRP A 47 9.851 -9.928 -4.493 1.00 0.00 C ATOM 647 CZ3 TRP A 47 11.620 -9.189 -5.961 1.00 0.00 C ATOM 648 CH2 TRP A 47 10.265 -9.249 -5.607 1.00 0.00 C ATOM 0 H TRP A 47 14.504 -14.105 -1.837 1.00 0.00 H new ATOM 0 HA TRP A 47 14.507 -12.956 -4.554 1.00 0.00 H new ATOM 0 HB2 TRP A 47 14.704 -11.393 -1.949 1.00 0.00 H new ATOM 0 HB3 TRP A 47 14.886 -10.724 -3.558 1.00 0.00 H new ATOM 0 HD1 TRP A 47 12.154 -12.314 -1.303 1.00 0.00 H new ATOM 0 HE1 TRP A 47 9.828 -11.502 -2.092 1.00 0.00 H new ATOM 0 HE3 TRP A 47 13.628 -9.762 -5.478 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 8.807 -9.974 -4.221 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 11.913 -8.645 -6.846 1.00 0.00 H new ATOM 0 HH2 TRP A 47 9.534 -8.750 -6.225 1.00 0.00 H new ATOM 659 N SER A 48 17.010 -12.591 -4.452 1.00 0.00 N ATOM 660 CA SER A 48 18.465 -12.684 -4.485 1.00 0.00 C ATOM 661 C SER A 48 19.101 -11.556 -3.678 1.00 0.00 C ATOM 662 O SER A 48 20.308 -11.327 -3.753 1.00 0.00 O ATOM 663 CB SER A 48 18.969 -12.639 -5.929 1.00 0.00 C ATOM 664 OG SER A 48 20.378 -12.766 -5.982 1.00 0.00 O ATOM 0 H SER A 48 16.595 -12.173 -5.285 1.00 0.00 H new ATOM 0 HA SER A 48 18.752 -13.635 -4.037 1.00 0.00 H new ATOM 0 HB2 SER A 48 18.507 -13.441 -6.504 1.00 0.00 H new ATOM 0 HB3 SER A 48 18.668 -11.700 -6.393 1.00 0.00 H new ATOM 0 HG SER A 48 20.776 -12.327 -5.201 1.00 0.00 H new ATOM 670 N CYS A 49 18.278 -10.854 -2.906 1.00 0.00 N ATOM 671 CA CYS A 49 18.757 -9.748 -2.084 1.00 0.00 C ATOM 672 C CYS A 49 18.958 -10.193 -0.638 1.00 0.00 C ATOM 673 O CYS A 49 20.013 -9.960 -0.047 1.00 0.00 O ATOM 674 CB CYS A 49 17.768 -8.581 -2.138 1.00 0.00 C ATOM 675 SG CYS A 49 16.029 -9.067 -1.898 1.00 0.00 S ATOM 0 H CYS A 49 17.276 -11.031 -2.832 1.00 0.00 H new ATOM 0 HA CYS A 49 19.718 -9.421 -2.482 1.00 0.00 H new ATOM 0 HB2 CYS A 49 18.039 -7.853 -1.373 1.00 0.00 H new ATOM 0 HB3 CYS A 49 17.865 -8.081 -3.102 1.00 0.00 H new ATOM 680 N CYS A 50 17.938 -10.833 -0.075 1.00 0.00 N ATOM 681 CA CYS A 50 18.001 -11.310 1.301 1.00 0.00 C ATOM 682 C CYS A 50 18.007 -12.835 1.348 1.00 0.00 C ATOM 683 O CYS A 50 17.892 -13.500 0.318 1.00 0.00 O ATOM 684 CB CYS A 50 16.817 -10.769 2.105 1.00 0.00 C ATOM 685 SG CYS A 50 15.233 -10.803 1.209 1.00 0.00 S ATOM 0 H CYS A 50 17.058 -11.033 -0.551 1.00 0.00 H new ATOM 0 HA CYS A 50 18.929 -10.946 1.743 1.00 0.00 H new ATOM 0 HB2 CYS A 50 16.717 -11.352 3.021 1.00 0.00 H new ATOM 0 HB3 CYS A 50 17.032 -9.743 2.402 1.00 0.00 H new ATOM 690 N LYS A 51 18.143 -13.384 2.551 1.00 0.00 N ATOM 691 CA LYS A 51 18.163 -14.830 2.734 1.00 0.00 C ATOM 692 C LYS A 51 16.750 -15.375 2.915 1.00 0.00 C ATOM 693 O LYS A 51 16.511 -16.573 2.756 1.00 0.00 O ATOM 694 CB LYS A 51 19.022 -15.199 3.946 1.00 0.00 C ATOM 695 CG LYS A 51 19.013 -14.148 5.042 1.00 0.00 C ATOM 696 CD LYS A 51 19.660 -14.664 6.316 1.00 0.00 C ATOM 697 CE LYS A 51 18.745 -15.628 7.055 1.00 0.00 C ATOM 698 NZ LYS A 51 19.493 -16.461 8.037 1.00 0.00 N ATOM 0 H LYS A 51 18.241 -12.849 3.414 1.00 0.00 H new ATOM 0 HA LYS A 51 18.595 -15.279 1.839 1.00 0.00 H new ATOM 0 HB2 LYS A 51 18.667 -16.144 4.358 1.00 0.00 H new ATOM 0 HB3 LYS A 51 20.049 -15.360 3.617 1.00 0.00 H new ATOM 0 HG2 LYS A 51 19.542 -13.259 4.699 1.00 0.00 H new ATOM 0 HG3 LYS A 51 17.986 -13.847 5.250 1.00 0.00 H new ATOM 0 HD2 LYS A 51 20.597 -15.165 6.072 1.00 0.00 H new ATOM 0 HD3 LYS A 51 19.907 -13.824 6.966 1.00 0.00 H new ATOM 0 HE2 LYS A 51 17.968 -15.066 7.573 1.00 0.00 H new ATOM 0 HE3 LYS A 51 18.244 -16.276 6.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 18.834 -17.105 8.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 20.218 -17.017 7.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 19.950 -15.844 8.738 1.00 0.00 H new ATOM 712 N ARG A 52 15.817 -14.489 3.248 1.00 0.00 N ATOM 713 CA ARG A 52 14.428 -14.882 3.450 1.00 0.00 C ATOM 714 C ARG A 52 13.958 -15.813 2.335 1.00 0.00 C ATOM 715 O ARG A 52 14.281 -15.609 1.165 1.00 0.00 O ATOM 716 CB ARG A 52 13.530 -13.645 3.508 1.00 0.00 C ATOM 717 CG ARG A 52 12.052 -13.972 3.662 1.00 0.00 C ATOM 718 CD ARG A 52 11.684 -14.212 5.117 1.00 0.00 C ATOM 719 NE ARG A 52 10.570 -15.147 5.253 1.00 0.00 N ATOM 720 CZ ARG A 52 9.998 -15.447 6.414 1.00 0.00 C ATOM 721 NH1 ARG A 52 10.434 -14.888 7.535 1.00 0.00 N ATOM 722 NH2 ARG A 52 8.990 -16.306 6.456 1.00 0.00 N ATOM 0 H ARG A 52 15.998 -13.494 3.384 1.00 0.00 H new ATOM 0 HA ARG A 52 14.362 -15.416 4.398 1.00 0.00 H new ATOM 0 HB2 ARG A 52 13.844 -13.017 4.342 1.00 0.00 H new ATOM 0 HB3 ARG A 52 13.671 -13.061 2.599 1.00 0.00 H new ATOM 0 HG2 ARG A 52 11.453 -13.152 3.265 1.00 0.00 H new ATOM 0 HG3 ARG A 52 11.811 -14.857 3.074 1.00 0.00 H new ATOM 0 HD2 ARG A 52 12.551 -14.601 5.651 1.00 0.00 H new ATOM 0 HD3 ARG A 52 11.421 -13.264 5.585 1.00 0.00 H new ATOM 0 HE ARG A 52 10.211 -15.595 4.410 1.00 0.00 H new ATOM 0 HH11 ARG A 52 11.210 -14.226 7.507 1.00 0.00 H new ATOM 0 HH12 ARG A 52 9.993 -15.120 8.425 1.00 0.00 H new ATOM 0 HH21 ARG A 52 8.652 -16.738 5.596 1.00 0.00 H new ATOM 0 HH22 ARG A 52 8.552 -16.535 7.348 1.00 0.00 H new ATOM 736 N ARG A 53 13.195 -16.835 2.708 1.00 0.00 N ATOM 737 CA ARG A 53 12.684 -17.798 1.740 1.00 0.00 C ATOM 738 C ARG A 53 11.390 -18.436 2.240 1.00 0.00 C ATOM 739 O ARG A 53 11.236 -18.699 3.433 1.00 0.00 O ATOM 740 CB ARG A 53 13.727 -18.883 1.467 1.00 0.00 C ATOM 741 CG ARG A 53 13.694 -19.415 0.043 1.00 0.00 C ATOM 742 CD ARG A 53 14.465 -18.512 -0.907 1.00 0.00 C ATOM 743 NE ARG A 53 15.910 -18.651 -0.743 1.00 0.00 N ATOM 744 CZ ARG A 53 16.798 -17.883 -1.365 1.00 0.00 C ATOM 745 NH1 ARG A 53 16.389 -16.927 -2.188 1.00 0.00 N ATOM 746 NH2 ARG A 53 18.096 -18.071 -1.164 1.00 0.00 N ATOM 0 H ARG A 53 12.917 -17.017 3.672 1.00 0.00 H new ATOM 0 HA ARG A 53 12.473 -17.266 0.813 1.00 0.00 H new ATOM 0 HB2 ARG A 53 14.719 -18.481 1.673 1.00 0.00 H new ATOM 0 HB3 ARG A 53 13.568 -19.710 2.159 1.00 0.00 H new ATOM 0 HG2 ARG A 53 14.119 -20.418 0.018 1.00 0.00 H new ATOM 0 HG3 ARG A 53 12.660 -19.499 -0.291 1.00 0.00 H new ATOM 0 HD2 ARG A 53 14.192 -18.750 -1.935 1.00 0.00 H new ATOM 0 HD3 ARG A 53 14.179 -17.475 -0.734 1.00 0.00 H new ATOM 0 HE ARG A 53 16.256 -19.378 -0.116 1.00 0.00 H new ATOM 0 HH11 ARG A 53 15.392 -16.781 -2.344 1.00 0.00 H new ATOM 0 HH12 ARG A 53 17.072 -16.338 -2.665 1.00 0.00 H new ATOM 0 HH21 ARG A 53 18.413 -18.806 -0.531 1.00 0.00 H new ATOM 0 HH22 ARG A 53 18.777 -17.481 -1.642 1.00 0.00 H new ATOM 760 N THR A 54 10.464 -18.683 1.320 1.00 0.00 N ATOM 761 CA THR A 54 9.183 -19.288 1.667 1.00 0.00 C ATOM 762 C THR A 54 8.592 -20.041 0.481 1.00 0.00 C ATOM 763 O THR A 54 8.828 -19.686 -0.675 1.00 0.00 O ATOM 764 CB THR A 54 8.172 -18.228 2.143 1.00 0.00 C ATOM 765 OG1 THR A 54 7.028 -18.868 2.720 1.00 0.00 O ATOM 766 CG2 THR A 54 7.734 -17.340 0.988 1.00 0.00 C ATOM 0 H THR A 54 10.576 -18.474 0.328 1.00 0.00 H new ATOM 0 HA THR A 54 9.374 -19.988 2.480 1.00 0.00 H new ATOM 0 HB THR A 54 8.658 -17.605 2.894 1.00 0.00 H new ATOM 0 HG1 THR A 54 6.933 -18.587 3.654 1.00 0.00 H new ATOM 0 HG21 THR A 54 7.020 -16.599 1.349 1.00 0.00 H new ATOM 0 HG22 THR A 54 8.603 -16.832 0.569 1.00 0.00 H new ATOM 0 HG23 THR A 54 7.264 -17.951 0.217 1.00 0.00 H new ATOM 774 N THR A 55 7.821 -21.085 0.773 1.00 0.00 N ATOM 775 CA THR A 55 7.196 -21.889 -0.269 1.00 0.00 C ATOM 776 C THR A 55 5.757 -21.452 -0.512 1.00 0.00 C ATOM 777 O THR A 55 5.212 -21.649 -1.599 1.00 0.00 O ATOM 778 CB THR A 55 7.212 -23.386 0.091 1.00 0.00 C ATOM 779 OG1 THR A 55 6.128 -23.689 0.976 1.00 0.00 O ATOM 780 CG2 THR A 55 8.531 -23.771 0.746 1.00 0.00 C ATOM 0 H THR A 55 7.615 -21.393 1.723 1.00 0.00 H new ATOM 0 HA THR A 55 7.778 -21.735 -1.178 1.00 0.00 H new ATOM 0 HB THR A 55 7.100 -23.959 -0.829 1.00 0.00 H new ATOM 0 HG1 THR A 55 6.144 -24.643 1.199 1.00 0.00 H new ATOM 0 HG21 THR A 55 8.519 -24.833 0.991 1.00 0.00 H new ATOM 0 HG22 THR A 55 9.352 -23.567 0.059 1.00 0.00 H new ATOM 0 HG23 THR A 55 8.668 -23.189 1.658 1.00 0.00 H new ATOM 788 N ASP A 56 5.144 -20.857 0.506 1.00 0.00 N ATOM 789 CA ASP A 56 3.766 -20.390 0.403 1.00 0.00 C ATOM 790 C ASP A 56 3.688 -19.114 -0.429 1.00 0.00 C ATOM 791 O ASP A 56 3.981 -18.022 0.059 1.00 0.00 O ATOM 792 CB ASP A 56 3.183 -20.143 1.795 1.00 0.00 C ATOM 793 CG ASP A 56 1.668 -20.081 1.785 1.00 0.00 C ATOM 794 OD1 ASP A 56 1.097 -19.676 0.750 1.00 0.00 O ATOM 795 OD2 ASP A 56 1.054 -20.439 2.811 1.00 0.00 O ATOM 0 H ASP A 56 5.580 -20.687 1.412 1.00 0.00 H new ATOM 0 HA ASP A 56 3.181 -21.164 -0.094 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.507 -20.937 2.468 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.579 -19.208 2.191 1.00 0.00 H new ATOM 800 N PHE A 57 3.288 -19.258 -1.689 1.00 0.00 N ATOM 801 CA PHE A 57 3.172 -18.117 -2.590 1.00 0.00 C ATOM 802 C PHE A 57 2.695 -16.878 -1.838 1.00 0.00 C ATOM 803 O PHE A 57 3.064 -15.753 -2.178 1.00 0.00 O ATOM 804 CB PHE A 57 2.205 -18.439 -3.731 1.00 0.00 C ATOM 805 CG PHE A 57 1.762 -17.227 -4.500 1.00 0.00 C ATOM 806 CD1 PHE A 57 2.625 -16.591 -5.376 1.00 0.00 C ATOM 807 CD2 PHE A 57 0.479 -16.723 -4.345 1.00 0.00 C ATOM 808 CE1 PHE A 57 2.219 -15.476 -6.085 1.00 0.00 C ATOM 809 CE2 PHE A 57 0.068 -15.609 -5.051 1.00 0.00 C ATOM 810 CZ PHE A 57 0.939 -14.984 -5.921 1.00 0.00 C ATOM 0 H PHE A 57 3.039 -20.154 -2.109 1.00 0.00 H new ATOM 0 HA PHE A 57 4.158 -17.911 -3.006 1.00 0.00 H new ATOM 0 HB2 PHE A 57 2.684 -19.139 -4.416 1.00 0.00 H new ATOM 0 HB3 PHE A 57 1.328 -18.941 -3.323 1.00 0.00 H new ATOM 0 HD1 PHE A 57 3.628 -16.971 -5.507 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -0.206 -17.207 -3.665 1.00 0.00 H new ATOM 0 HE1 PHE A 57 2.902 -14.990 -6.766 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.934 -15.227 -4.922 1.00 0.00 H new ATOM 0 HZ PHE A 57 0.620 -14.112 -6.472 1.00 0.00 H new ATOM 820 N SER A 58 1.875 -17.092 -0.816 1.00 0.00 N ATOM 821 CA SER A 58 1.343 -15.993 -0.018 1.00 0.00 C ATOM 822 C SER A 58 2.452 -15.316 0.780 1.00 0.00 C ATOM 823 O SER A 58 2.561 -14.089 0.799 1.00 0.00 O ATOM 824 CB SER A 58 0.255 -16.501 0.929 1.00 0.00 C ATOM 825 OG SER A 58 -0.273 -15.445 1.712 1.00 0.00 O ATOM 0 H SER A 58 1.564 -18.017 -0.520 1.00 0.00 H new ATOM 0 HA SER A 58 0.908 -15.260 -0.698 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.545 -16.966 0.353 1.00 0.00 H new ATOM 0 HB3 SER A 58 0.667 -17.271 1.581 1.00 0.00 H new ATOM 0 HG SER A 58 -0.968 -15.795 2.308 1.00 0.00 H new ATOM 831 N ASP A 59 3.275 -16.124 1.440 1.00 0.00 N ATOM 832 CA ASP A 59 4.378 -15.604 2.240 1.00 0.00 C ATOM 833 C ASP A 59 5.392 -14.877 1.362 1.00 0.00 C ATOM 834 O ASP A 59 5.910 -13.824 1.735 1.00 0.00 O ATOM 835 CB ASP A 59 5.066 -16.740 2.999 1.00 0.00 C ATOM 836 CG ASP A 59 4.283 -17.175 4.223 1.00 0.00 C ATOM 837 OD1 ASP A 59 3.802 -16.292 4.964 1.00 0.00 O ATOM 838 OD2 ASP A 59 4.151 -18.398 4.440 1.00 0.00 O ATOM 0 H ASP A 59 3.199 -17.141 1.437 1.00 0.00 H new ATOM 0 HA ASP A 59 3.969 -14.893 2.957 1.00 0.00 H new ATOM 0 HB2 ASP A 59 5.196 -17.592 2.332 1.00 0.00 H new ATOM 0 HB3 ASP A 59 6.062 -16.419 3.303 1.00 0.00 H new ATOM 843 N PHE A 60 5.672 -15.447 0.195 1.00 0.00 N ATOM 844 CA PHE A 60 6.625 -14.854 -0.736 1.00 0.00 C ATOM 845 C PHE A 60 6.273 -13.397 -1.021 1.00 0.00 C ATOM 846 O PHE A 60 7.141 -12.523 -1.010 1.00 0.00 O ATOM 847 CB PHE A 60 6.655 -15.648 -2.043 1.00 0.00 C ATOM 848 CG PHE A 60 7.132 -14.847 -3.221 1.00 0.00 C ATOM 849 CD1 PHE A 60 8.488 -14.671 -3.452 1.00 0.00 C ATOM 850 CD2 PHE A 60 6.226 -14.270 -4.096 1.00 0.00 C ATOM 851 CE1 PHE A 60 8.929 -13.934 -4.535 1.00 0.00 C ATOM 852 CE2 PHE A 60 6.663 -13.533 -5.180 1.00 0.00 C ATOM 853 CZ PHE A 60 8.016 -13.364 -5.400 1.00 0.00 C ATOM 0 H PHE A 60 5.253 -16.319 -0.129 1.00 0.00 H new ATOM 0 HA PHE A 60 7.613 -14.887 -0.276 1.00 0.00 H new ATOM 0 HB2 PHE A 60 7.303 -16.515 -1.917 1.00 0.00 H new ATOM 0 HB3 PHE A 60 5.654 -16.026 -2.252 1.00 0.00 H new ATOM 0 HD1 PHE A 60 9.207 -15.114 -2.779 1.00 0.00 H new ATOM 0 HD2 PHE A 60 5.167 -14.398 -3.929 1.00 0.00 H new ATOM 0 HE1 PHE A 60 9.988 -13.804 -4.705 1.00 0.00 H new ATOM 0 HE2 PHE A 60 5.947 -13.089 -5.855 1.00 0.00 H new ATOM 0 HZ PHE A 60 8.359 -12.788 -6.246 1.00 0.00 H new ATOM 863 N LEU A 61 4.995 -13.143 -1.277 1.00 0.00 N ATOM 864 CA LEU A 61 4.526 -11.792 -1.566 1.00 0.00 C ATOM 865 C LEU A 61 4.495 -10.944 -0.298 1.00 0.00 C ATOM 866 O LEU A 61 4.426 -9.716 -0.362 1.00 0.00 O ATOM 867 CB LEU A 61 3.134 -11.838 -2.197 1.00 0.00 C ATOM 868 CG LEU A 61 2.958 -12.811 -3.364 1.00 0.00 C ATOM 869 CD1 LEU A 61 1.484 -13.106 -3.594 1.00 0.00 C ATOM 870 CD2 LEU A 61 3.595 -12.250 -4.627 1.00 0.00 C ATOM 0 H LEU A 61 4.264 -13.855 -1.290 1.00 0.00 H new ATOM 0 HA LEU A 61 5.222 -11.335 -2.270 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.414 -12.098 -1.421 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.881 -10.836 -2.544 1.00 0.00 H new ATOM 0 HG LEU A 61 3.460 -13.745 -3.112 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.378 -13.800 -4.428 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.057 -13.551 -2.695 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.959 -12.179 -3.824 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.460 -12.956 -5.447 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.122 -11.302 -4.883 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.660 -12.090 -4.457 1.00 0.00 H new ATOM 882 N SER A 62 4.547 -11.607 0.853 1.00 0.00 N ATOM 883 CA SER A 62 4.523 -10.914 2.136 1.00 0.00 C ATOM 884 C SER A 62 5.933 -10.533 2.574 1.00 0.00 C ATOM 885 O SER A 62 6.141 -9.497 3.207 1.00 0.00 O ATOM 886 CB SER A 62 3.865 -11.793 3.201 1.00 0.00 C ATOM 887 OG SER A 62 3.215 -11.004 4.183 1.00 0.00 O ATOM 0 H SER A 62 4.606 -12.623 0.923 1.00 0.00 H new ATOM 0 HA SER A 62 3.940 -10.001 2.018 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.143 -12.461 2.731 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.619 -12.421 3.675 1.00 0.00 H new ATOM 0 HG SER A 62 2.801 -11.589 4.851 1.00 0.00 H new ATOM 893 N ILE A 63 6.900 -11.378 2.234 1.00 0.00 N ATOM 894 CA ILE A 63 8.292 -11.130 2.591 1.00 0.00 C ATOM 895 C ILE A 63 8.606 -9.638 2.574 1.00 0.00 C ATOM 896 O ILE A 63 8.853 -9.057 1.518 1.00 0.00 O ATOM 897 CB ILE A 63 9.257 -11.857 1.636 1.00 0.00 C ATOM 898 CG1 ILE A 63 9.163 -13.371 1.837 1.00 0.00 C ATOM 899 CG2 ILE A 63 10.684 -11.375 1.855 1.00 0.00 C ATOM 900 CD1 ILE A 63 9.887 -14.168 0.774 1.00 0.00 C ATOM 0 H ILE A 63 6.746 -12.240 1.712 1.00 0.00 H new ATOM 0 HA ILE A 63 8.433 -11.517 3.600 1.00 0.00 H new ATOM 0 HB ILE A 63 8.971 -11.627 0.610 1.00 0.00 H new ATOM 0 HG12 ILE A 63 9.574 -13.626 2.814 1.00 0.00 H new ATOM 0 HG13 ILE A 63 8.113 -13.664 1.847 1.00 0.00 H new ATOM 0 HG21 ILE A 63 11.354 -11.898 1.173 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.739 -10.303 1.666 1.00 0.00 H new ATOM 0 HG23 ILE A 63 10.983 -11.578 2.883 1.00 0.00 H new ATOM 0 HD11 ILE A 63 9.778 -15.233 0.980 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.461 -13.942 -0.203 1.00 0.00 H new ATOM 0 HD13 ILE A 63 10.945 -13.904 0.778 1.00 0.00 H new ATOM 912 N VAL A 64 8.596 -9.024 3.753 1.00 0.00 N ATOM 913 CA VAL A 64 8.884 -7.599 3.875 1.00 0.00 C ATOM 914 C VAL A 64 10.254 -7.263 3.297 1.00 0.00 C ATOM 915 O VAL A 64 11.172 -8.081 3.333 1.00 0.00 O ATOM 916 CB VAL A 64 8.832 -7.140 5.344 1.00 0.00 C ATOM 917 CG1 VAL A 64 9.455 -8.188 6.254 1.00 0.00 C ATOM 918 CG2 VAL A 64 9.530 -5.798 5.507 1.00 0.00 C ATOM 0 H VAL A 64 8.392 -9.490 4.637 1.00 0.00 H new ATOM 0 HA VAL A 64 8.116 -7.072 3.310 1.00 0.00 H new ATOM 0 HB VAL A 64 7.788 -7.019 5.632 1.00 0.00 H new ATOM 0 HG11 VAL A 64 9.409 -7.846 7.288 1.00 0.00 H new ATOM 0 HG12 VAL A 64 8.907 -9.126 6.157 1.00 0.00 H new ATOM 0 HG13 VAL A 64 10.496 -8.345 5.970 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.484 -5.488 6.551 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.572 -5.890 5.202 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.035 -5.052 4.885 1.00 0.00 H new ATOM 928 N GLY A 65 10.385 -6.053 2.763 1.00 0.00 N ATOM 929 CA GLY A 65 11.646 -5.629 2.185 1.00 0.00 C ATOM 930 C GLY A 65 12.809 -5.793 3.144 1.00 0.00 C ATOM 931 O GLY A 65 12.658 -5.598 4.351 1.00 0.00 O ATOM 0 H GLY A 65 9.639 -5.358 2.720 1.00 0.00 H new ATOM 0 HA2 GLY A 65 11.840 -6.207 1.281 1.00 0.00 H new ATOM 0 HA3 GLY A 65 11.571 -4.584 1.885 1.00 0.00 H new ATOM 935 N CYS A 66 13.969 -6.154 2.609 1.00 0.00 N ATOM 936 CA CYS A 66 15.161 -6.347 3.426 1.00 0.00 C ATOM 937 C CYS A 66 16.062 -5.115 3.373 1.00 0.00 C ATOM 938 O CYS A 66 16.945 -4.942 4.213 1.00 0.00 O ATOM 939 CB CYS A 66 15.935 -7.578 2.952 1.00 0.00 C ATOM 940 SG CYS A 66 16.556 -7.456 1.244 1.00 0.00 S ATOM 0 H CYS A 66 14.110 -6.319 1.612 1.00 0.00 H new ATOM 0 HA CYS A 66 14.844 -6.500 4.457 1.00 0.00 H new ATOM 0 HB2 CYS A 66 16.778 -7.744 3.623 1.00 0.00 H new ATOM 0 HB3 CYS A 66 15.289 -8.452 3.030 1.00 0.00 H new ATOM 945 N THR A 67 15.830 -4.262 2.380 1.00 0.00 N ATOM 946 CA THR A 67 16.620 -3.048 2.217 1.00 0.00 C ATOM 947 C THR A 67 15.825 -1.816 2.634 1.00 0.00 C ATOM 948 O THR A 67 14.602 -1.867 2.762 1.00 0.00 O ATOM 949 CB THR A 67 17.089 -2.874 0.760 1.00 0.00 C ATOM 950 OG1 THR A 67 17.881 -3.999 0.362 1.00 0.00 O ATOM 951 CG2 THR A 67 17.897 -1.596 0.600 1.00 0.00 C ATOM 0 H THR A 67 15.102 -4.389 1.677 1.00 0.00 H new ATOM 0 HA THR A 67 17.493 -3.150 2.862 1.00 0.00 H new ATOM 0 HB THR A 67 16.207 -2.809 0.123 1.00 0.00 H new ATOM 0 HG1 THR A 67 18.831 -3.766 0.416 1.00 0.00 H new ATOM 0 HG21 THR A 67 18.217 -1.495 -0.437 1.00 0.00 H new ATOM 0 HG22 THR A 67 17.281 -0.739 0.875 1.00 0.00 H new ATOM 0 HG23 THR A 67 18.773 -1.636 1.248 1.00 0.00 H new ATOM 959 N LYS A 68 16.528 -0.707 2.843 1.00 0.00 N ATOM 960 CA LYS A 68 15.889 0.540 3.244 1.00 0.00 C ATOM 961 C LYS A 68 16.263 1.673 2.293 1.00 0.00 C ATOM 962 O LYS A 68 17.386 1.734 1.796 1.00 0.00 O ATOM 963 CB LYS A 68 16.291 0.907 4.674 1.00 0.00 C ATOM 964 CG LYS A 68 15.466 0.201 5.737 1.00 0.00 C ATOM 965 CD LYS A 68 14.226 0.998 6.102 1.00 0.00 C ATOM 966 CE LYS A 68 13.417 0.304 7.187 1.00 0.00 C ATOM 967 NZ LYS A 68 14.157 0.240 8.477 1.00 0.00 N ATOM 0 H LYS A 68 17.541 -0.647 2.741 1.00 0.00 H new ATOM 0 HA LYS A 68 14.809 0.395 3.203 1.00 0.00 H new ATOM 0 HB2 LYS A 68 17.343 0.663 4.821 1.00 0.00 H new ATOM 0 HB3 LYS A 68 16.192 1.985 4.805 1.00 0.00 H new ATOM 0 HG2 LYS A 68 15.173 -0.785 5.376 1.00 0.00 H new ATOM 0 HG3 LYS A 68 16.075 0.046 6.628 1.00 0.00 H new ATOM 0 HD2 LYS A 68 14.518 1.991 6.443 1.00 0.00 H new ATOM 0 HD3 LYS A 68 13.606 1.135 5.216 1.00 0.00 H new ATOM 0 HE2 LYS A 68 12.477 0.835 7.334 1.00 0.00 H new ATOM 0 HE3 LYS A 68 13.166 -0.706 6.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 13.508 -0.051 9.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 14.931 -0.451 8.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 14.550 1.177 8.698 1.00 0.00 H new ATOM 981 N GLY A 69 15.313 2.570 2.046 1.00 0.00 N ATOM 982 CA GLY A 69 15.563 3.690 1.157 1.00 0.00 C ATOM 983 C GLY A 69 14.354 4.591 1.005 1.00 0.00 C ATOM 984 O GLY A 69 13.504 4.656 1.893 1.00 0.00 O ATOM 0 H GLY A 69 14.375 2.541 2.446 1.00 0.00 H new ATOM 0 HA2 GLY A 69 16.401 4.273 1.539 1.00 0.00 H new ATOM 0 HA3 GLY A 69 15.857 3.314 0.177 1.00 0.00 H new ATOM 988 N ARG A 70 14.278 5.290 -0.123 1.00 0.00 N ATOM 989 CA ARG A 70 13.165 6.195 -0.386 1.00 0.00 C ATOM 990 C ARG A 70 12.206 5.594 -1.410 1.00 0.00 C ATOM 991 O ARG A 70 12.620 5.164 -2.487 1.00 0.00 O ATOM 992 CB ARG A 70 13.684 7.543 -0.889 1.00 0.00 C ATOM 993 CG ARG A 70 14.854 8.085 -0.082 1.00 0.00 C ATOM 994 CD ARG A 70 15.177 9.521 -0.465 1.00 0.00 C ATOM 995 NE ARG A 70 16.139 9.591 -1.561 1.00 0.00 N ATOM 996 CZ ARG A 70 15.802 9.508 -2.843 1.00 0.00 C ATOM 997 NH1 ARG A 70 14.530 9.353 -3.188 1.00 0.00 N ATOM 998 NH2 ARG A 70 16.736 9.580 -3.783 1.00 0.00 N ATOM 0 H ARG A 70 14.973 5.247 -0.869 1.00 0.00 H new ATOM 0 HA ARG A 70 12.624 6.347 0.548 1.00 0.00 H new ATOM 0 HB2 ARG A 70 13.989 7.440 -1.930 1.00 0.00 H new ATOM 0 HB3 ARG A 70 12.870 8.268 -0.865 1.00 0.00 H new ATOM 0 HG2 ARG A 70 14.618 8.035 0.981 1.00 0.00 H new ATOM 0 HG3 ARG A 70 15.731 7.458 -0.244 1.00 0.00 H new ATOM 0 HD2 ARG A 70 14.260 10.034 -0.754 1.00 0.00 H new ATOM 0 HD3 ARG A 70 15.577 10.047 0.402 1.00 0.00 H new ATOM 0 HE ARG A 70 17.125 9.710 -1.329 1.00 0.00 H new ATOM 0 HH11 ARG A 70 13.809 9.297 -2.468 1.00 0.00 H new ATOM 0 HH12 ARG A 70 14.273 9.289 -4.173 1.00 0.00 H new ATOM 0 HH21 ARG A 70 17.715 9.699 -3.521 1.00 0.00 H new ATOM 0 HH22 ARG A 70 16.475 9.516 -4.767 1.00 0.00 H new ATOM 1012 N HIS A 71 10.922 5.566 -1.065 1.00 0.00 N ATOM 1013 CA HIS A 71 9.905 5.018 -1.953 1.00 0.00 C ATOM 1014 C HIS A 71 10.073 5.556 -3.371 1.00 0.00 C ATOM 1015 O HIS A 71 10.333 6.742 -3.568 1.00 0.00 O ATOM 1016 CB HIS A 71 8.507 5.353 -1.431 1.00 0.00 C ATOM 1017 CG HIS A 71 8.273 4.911 -0.019 1.00 0.00 C ATOM 1018 ND1 HIS A 71 7.724 3.689 0.305 1.00 0.00 N ATOM 1019 CD2 HIS A 71 8.519 5.535 1.156 1.00 0.00 C ATOM 1020 CE1 HIS A 71 7.641 3.581 1.619 1.00 0.00 C ATOM 1021 NE2 HIS A 71 8.117 4.688 2.159 1.00 0.00 N ATOM 0 H HIS A 71 10.563 5.916 -0.177 1.00 0.00 H new ATOM 0 HA HIS A 71 10.026 3.935 -1.978 1.00 0.00 H new ATOM 0 HB2 HIS A 71 8.352 6.430 -1.496 1.00 0.00 H new ATOM 0 HB3 HIS A 71 7.765 4.885 -2.077 1.00 0.00 H new ATOM 0 HD2 HIS A 71 8.951 6.517 1.282 1.00 0.00 H new ATOM 0 HE1 HIS A 71 7.250 2.732 2.160 1.00 0.00 H new ATOM 0 HE2 HIS A 71 8.176 4.882 3.159 1.00 0.00 H new ATOM 1029 N ASN A 72 9.924 4.675 -4.355 1.00 0.00 N ATOM 1030 CA ASN A 72 10.060 5.062 -5.755 1.00 0.00 C ATOM 1031 C ASN A 72 8.703 5.408 -6.359 1.00 0.00 C ATOM 1032 O ASN A 72 7.900 4.523 -6.656 1.00 0.00 O ATOM 1033 CB ASN A 72 10.715 3.934 -6.555 1.00 0.00 C ATOM 1034 CG ASN A 72 12.208 3.836 -6.303 1.00 0.00 C ATOM 1035 OD1 ASN A 72 12.736 4.470 -5.390 1.00 0.00 O ATOM 1036 ND2 ASN A 72 12.893 3.039 -7.114 1.00 0.00 N ATOM 0 H ASN A 72 9.709 3.689 -4.209 1.00 0.00 H new ATOM 0 HA ASN A 72 10.694 5.948 -5.802 1.00 0.00 H new ATOM 0 HB2 ASN A 72 10.243 2.987 -6.295 1.00 0.00 H new ATOM 0 HB3 ASN A 72 10.539 4.097 -7.618 1.00 0.00 H new ATOM 0 HD21 ASN A 72 13.900 2.933 -6.994 1.00 0.00 H new ATOM 0 HD22 ASN A 72 12.412 2.533 -7.858 1.00 0.00 H new ATOM 1043 N SER A 73 8.455 6.701 -6.538 1.00 0.00 N ATOM 1044 CA SER A 73 7.193 7.165 -7.104 1.00 0.00 C ATOM 1045 C SER A 73 7.142 6.903 -8.606 1.00 0.00 C ATOM 1046 O SER A 73 6.172 7.255 -9.276 1.00 0.00 O ATOM 1047 CB SER A 73 7.004 8.659 -6.829 1.00 0.00 C ATOM 1048 OG SER A 73 8.186 9.384 -7.123 1.00 0.00 O ATOM 0 H SER A 73 9.110 7.446 -6.300 1.00 0.00 H new ATOM 0 HA SER A 73 6.385 6.610 -6.628 1.00 0.00 H new ATOM 0 HB2 SER A 73 6.180 9.042 -7.431 1.00 0.00 H new ATOM 0 HB3 SER A 73 6.732 8.808 -5.784 1.00 0.00 H new ATOM 0 HG SER A 73 8.040 10.336 -6.941 1.00 0.00 H new ATOM 1054 N GLU A 74 8.195 6.283 -9.128 1.00 0.00 N ATOM 1055 CA GLU A 74 8.273 5.974 -10.551 1.00 0.00 C ATOM 1056 C GLU A 74 8.559 4.492 -10.772 1.00 0.00 C ATOM 1057 O GLU A 74 9.264 3.860 -9.984 1.00 0.00 O ATOM 1058 CB GLU A 74 9.356 6.821 -11.222 1.00 0.00 C ATOM 1059 CG GLU A 74 8.932 8.256 -11.485 1.00 0.00 C ATOM 1060 CD GLU A 74 8.033 8.385 -12.699 1.00 0.00 C ATOM 1061 OE1 GLU A 74 8.537 8.231 -13.831 1.00 0.00 O ATOM 1062 OE2 GLU A 74 6.825 8.641 -12.516 1.00 0.00 O ATOM 0 H GLU A 74 9.006 5.985 -8.587 1.00 0.00 H new ATOM 0 HA GLU A 74 7.308 6.210 -11.001 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.245 6.824 -10.592 1.00 0.00 H new ATOM 0 HB3 GLU A 74 9.636 6.355 -12.167 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.411 8.643 -10.609 1.00 0.00 H new ATOM 0 HG3 GLU A 74 9.819 8.873 -11.627 1.00 0.00 H new ATOM 1069 N LYS A 75 8.009 3.943 -11.849 1.00 0.00 N ATOM 1070 CA LYS A 75 8.205 2.535 -12.176 1.00 0.00 C ATOM 1071 C LYS A 75 9.648 2.270 -12.595 1.00 0.00 C ATOM 1072 O LYS A 75 9.948 2.328 -13.786 1.00 0.00 O ATOM 1073 CB LYS A 75 7.252 2.113 -13.296 1.00 0.00 C ATOM 1074 CG LYS A 75 5.785 2.326 -12.960 1.00 0.00 C ATOM 1075 CD LYS A 75 4.892 2.049 -14.158 1.00 0.00 C ATOM 1076 CE LYS A 75 4.682 0.557 -14.364 1.00 0.00 C ATOM 1077 NZ LYS A 75 3.492 0.276 -15.214 1.00 0.00 N ATOM 0 H LYS A 75 7.423 4.452 -12.511 1.00 0.00 H new ATOM 0 HA LYS A 75 7.990 1.947 -11.284 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.494 2.674 -14.198 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.415 1.059 -13.522 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.501 1.673 -12.135 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.634 3.351 -12.622 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.928 2.537 -14.015 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.338 2.482 -15.053 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.569 0.126 -14.828 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.560 0.070 -13.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.383 -0.752 -15.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.641 0.665 -14.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.619 0.719 -16.147 1.00 0.00 H new TER 1091 LYS A 75 HETATM 1092 ZN ZN A 201 8.281 2.032 -0.516 1.00 0.00 ZN HETATM 1093 ZN ZN A 401 15.097 -8.894 0.083 1.00 0.00 ZN