USER MOD reduce.3.24.130724 H: found=0, std=0, add=402, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 400 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 18 HIS HE2 : A 18 HIS NE2 : A 181 ZNZN :(H bumps) USER MOD Set 1.1: A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot -60:sc= 0.44 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 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot -26:sc= 0.105! USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -158:sc= -0.0488 (180deg=-0.371) USER MOD Single : A 22 ASN : amide:sc= -3.89! C(o=-3.9!,f=-3.4!) USER MOD Single : A 25 THR OG1 : rot -69:sc= 1.43 USER MOD Single : A 26 ASN : amide:sc= -3.42! C(o=-3.4!,f=-5.4!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.165 X(o=-0.16,f=-0.29) USER MOD Single : A 33 SER OG : rot 32:sc= 0.666 USER MOD Single : A 38 LYS NZ :NH3+ 171:sc=-0.00937 (180deg=-0.11) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot -51:sc= 1.44 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 20:sc= 0.904 USER MOD Single : A 48 MET CE :methyl -143:sc= 0 (180deg=-0.0525) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.126 K(o=-0.13,f=-0.83) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.751 12.258 -3.062 1.00 0.00 N ATOM 2 CA GLY A 1 -4.487 12.955 -3.208 1.00 0.00 C ATOM 3 C GLY A 1 -3.480 12.558 -2.146 1.00 0.00 C ATOM 4 O GLY A 1 -3.510 13.075 -1.030 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.405 12.564 -3.811 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.593 11.233 -3.138 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.163 12.477 -2.132 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.072 12.746 -4.194 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.660 14.030 -3.156 1.00 0.00 H new ATOM 8 N SER A 2 -2.588 11.636 -2.494 1.00 0.00 N ATOM 9 CA SER A 2 -1.571 11.166 -1.561 1.00 0.00 C ATOM 10 C SER A 2 -2.208 10.683 -0.262 1.00 0.00 C ATOM 11 O SER A 2 -1.713 10.967 0.829 1.00 0.00 O ATOM 12 CB SER A 2 -0.566 12.281 -1.265 1.00 0.00 C ATOM 13 OG SER A 2 0.530 11.792 -0.512 1.00 0.00 O ATOM 0 H SER A 2 -2.549 11.200 -3.415 1.00 0.00 H new ATOM 0 HA SER A 2 -1.048 10.328 -2.023 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.206 12.709 -2.201 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.059 13.083 -0.716 1.00 0.00 H new ATOM 0 HG SER A 2 0.206 11.429 0.339 1.00 0.00 H new ATOM 19 N SER A 3 -3.311 9.951 -0.387 1.00 0.00 N ATOM 20 CA SER A 3 -4.019 9.430 0.776 1.00 0.00 C ATOM 21 C SER A 3 -4.157 7.913 0.695 1.00 0.00 C ATOM 22 O SER A 3 -3.973 7.318 -0.366 1.00 0.00 O ATOM 23 CB SER A 3 -5.403 10.074 0.888 1.00 0.00 C ATOM 24 OG SER A 3 -6.203 9.761 -0.239 1.00 0.00 O ATOM 0 H SER A 3 -3.733 9.706 -1.282 1.00 0.00 H new ATOM 0 HA SER A 3 -3.438 9.677 1.664 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.897 9.727 1.796 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.299 11.155 0.975 1.00 0.00 H new ATOM 0 HG SER A 3 -7.083 10.182 -0.143 1.00 0.00 H new ATOM 30 N GLY A 4 -4.483 7.293 1.825 1.00 0.00 N ATOM 31 CA GLY A 4 -4.640 5.851 1.861 1.00 0.00 C ATOM 32 C GLY A 4 -5.864 5.420 2.645 1.00 0.00 C ATOM 33 O GLY A 4 -6.161 5.978 3.701 1.00 0.00 O ATOM 0 H GLY A 4 -4.641 7.764 2.716 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.713 5.471 0.842 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.751 5.403 2.306 1.00 0.00 H new ATOM 37 N SER A 5 -6.578 4.426 2.126 1.00 0.00 N ATOM 38 CA SER A 5 -7.780 3.925 2.781 1.00 0.00 C ATOM 39 C SER A 5 -8.014 2.457 2.438 1.00 0.00 C ATOM 40 O SER A 5 -7.696 2.007 1.337 1.00 0.00 O ATOM 41 CB SER A 5 -8.996 4.756 2.369 1.00 0.00 C ATOM 42 OG SER A 5 -9.136 4.791 0.959 1.00 0.00 O ATOM 0 H SER A 5 -6.344 3.952 1.254 1.00 0.00 H new ATOM 0 HA SER A 5 -7.639 4.011 3.858 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.896 4.335 2.817 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.894 5.771 2.753 1.00 0.00 H new ATOM 0 HG SER A 5 -9.921 5.327 0.721 1.00 0.00 H new ATOM 48 N SER A 6 -8.572 1.715 3.389 1.00 0.00 N ATOM 49 CA SER A 6 -8.845 0.296 3.191 1.00 0.00 C ATOM 50 C SER A 6 -9.794 0.085 2.015 1.00 0.00 C ATOM 51 O SER A 6 -9.463 -0.605 1.052 1.00 0.00 O ATOM 52 CB SER A 6 -9.445 -0.312 4.460 1.00 0.00 C ATOM 53 OG SER A 6 -8.486 -0.370 5.501 1.00 0.00 O ATOM 0 H SER A 6 -8.844 2.073 4.305 1.00 0.00 H new ATOM 0 HA SER A 6 -7.902 -0.203 2.969 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.300 0.282 4.782 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.815 -1.315 4.246 1.00 0.00 H new ATOM 0 HG SER A 6 -8.895 -0.761 6.301 1.00 0.00 H new ATOM 59 N GLY A 7 -10.977 0.686 2.101 1.00 0.00 N ATOM 60 CA GLY A 7 -11.956 0.553 1.039 1.00 0.00 C ATOM 61 C GLY A 7 -12.487 -0.861 0.914 1.00 0.00 C ATOM 62 O GLY A 7 -13.202 -1.344 1.792 1.00 0.00 O ATOM 0 H GLY A 7 -11.274 1.263 2.888 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.786 1.234 1.227 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.505 0.853 0.093 1.00 0.00 H new ATOM 66 N TYR A 8 -12.138 -1.527 -0.181 1.00 0.00 N ATOM 67 CA TYR A 8 -12.588 -2.894 -0.421 1.00 0.00 C ATOM 68 C TYR A 8 -11.753 -3.559 -1.511 1.00 0.00 C ATOM 69 O TYR A 8 -10.868 -2.937 -2.099 1.00 0.00 O ATOM 70 CB TYR A 8 -14.065 -2.905 -0.816 1.00 0.00 C ATOM 71 CG TYR A 8 -14.293 -2.838 -2.309 1.00 0.00 C ATOM 72 CD1 TYR A 8 -14.291 -3.991 -3.084 1.00 0.00 C ATOM 73 CD2 TYR A 8 -14.509 -1.621 -2.945 1.00 0.00 C ATOM 74 CE1 TYR A 8 -14.498 -3.934 -4.449 1.00 0.00 C ATOM 75 CE2 TYR A 8 -14.719 -1.556 -4.309 1.00 0.00 C ATOM 76 CZ TYR A 8 -14.712 -2.715 -5.057 1.00 0.00 C ATOM 77 OH TYR A 8 -14.919 -2.653 -6.416 1.00 0.00 O ATOM 0 H TYR A 8 -11.545 -1.143 -0.917 1.00 0.00 H new ATOM 0 HA TYR A 8 -12.462 -3.458 0.503 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -14.530 -3.811 -0.426 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -14.565 -2.060 -0.342 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -14.125 -4.948 -2.612 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -14.513 -0.711 -2.363 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -14.492 -4.840 -5.037 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -14.888 -0.602 -4.787 1.00 0.00 H new ATOM 0 HH TYR A 8 -15.055 -1.720 -6.684 1.00 0.00 H new ATOM 87 N THR A 9 -12.042 -4.829 -1.775 1.00 0.00 N ATOM 88 CA THR A 9 -11.319 -5.581 -2.794 1.00 0.00 C ATOM 89 C THR A 9 -12.074 -6.847 -3.182 1.00 0.00 C ATOM 90 O THR A 9 -12.879 -7.365 -2.407 1.00 0.00 O ATOM 91 CB THR A 9 -9.908 -5.967 -2.311 1.00 0.00 C ATOM 92 OG1 THR A 9 -9.258 -4.827 -1.736 1.00 0.00 O ATOM 93 CG2 THR A 9 -9.071 -6.506 -3.462 1.00 0.00 C ATOM 0 H THR A 9 -12.771 -5.359 -1.298 1.00 0.00 H new ATOM 0 HA THR A 9 -11.233 -4.931 -3.665 1.00 0.00 H new ATOM 0 HB THR A 9 -10.007 -6.748 -1.557 1.00 0.00 H new ATOM 0 HG1 THR A 9 -9.627 -4.008 -2.127 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.079 -6.772 -3.097 1.00 0.00 H new ATOM 0 HG22 THR A 9 -9.553 -7.390 -3.880 1.00 0.00 H new ATOM 0 HG23 THR A 9 -8.981 -5.743 -4.235 1.00 0.00 H new ATOM 101 N CYS A 10 -11.810 -7.342 -4.387 1.00 0.00 N ATOM 102 CA CYS A 10 -12.464 -8.548 -4.879 1.00 0.00 C ATOM 103 C CYS A 10 -12.332 -9.688 -3.873 1.00 0.00 C ATOM 104 O CYS A 10 -11.236 -10.194 -3.632 1.00 0.00 O ATOM 105 CB CYS A 10 -11.864 -8.967 -6.222 1.00 0.00 C ATOM 106 SG CYS A 10 -12.504 -10.548 -6.862 1.00 0.00 S ATOM 0 H CYS A 10 -11.147 -6.926 -5.041 1.00 0.00 H new ATOM 0 HA CYS A 10 -13.523 -8.327 -5.014 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -12.060 -8.185 -6.955 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -10.782 -9.041 -6.117 1.00 0.00 H new ATOM 111 N PHE A 11 -13.457 -10.086 -3.288 1.00 0.00 N ATOM 112 CA PHE A 11 -13.468 -11.165 -2.307 1.00 0.00 C ATOM 113 C PHE A 11 -13.281 -12.519 -2.986 1.00 0.00 C ATOM 114 O PHE A 11 -13.164 -13.548 -2.321 1.00 0.00 O ATOM 115 CB PHE A 11 -14.780 -11.154 -1.520 1.00 0.00 C ATOM 116 CG PHE A 11 -14.778 -12.081 -0.338 1.00 0.00 C ATOM 117 CD1 PHE A 11 -13.817 -11.960 0.653 1.00 0.00 C ATOM 118 CD2 PHE A 11 -15.737 -13.074 -0.218 1.00 0.00 C ATOM 119 CE1 PHE A 11 -13.813 -12.813 1.740 1.00 0.00 C ATOM 120 CE2 PHE A 11 -15.738 -13.929 0.868 1.00 0.00 C ATOM 121 CZ PHE A 11 -14.775 -13.798 1.849 1.00 0.00 C ATOM 0 H PHE A 11 -14.373 -9.678 -3.476 1.00 0.00 H new ATOM 0 HA PHE A 11 -12.638 -11.005 -1.619 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -14.979 -10.139 -1.175 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -15.597 -11.430 -2.187 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -13.063 -11.191 0.575 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -16.493 -13.181 -0.982 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -13.057 -12.709 2.505 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -16.491 -14.699 0.949 1.00 0.00 H new ATOM 0 HZ PHE A 11 -14.774 -14.464 2.699 1.00 0.00 H new ATOM 131 N ARG A 12 -13.254 -12.509 -4.315 1.00 0.00 N ATOM 132 CA ARG A 12 -13.083 -13.735 -5.084 1.00 0.00 C ATOM 133 C ARG A 12 -11.617 -14.157 -5.117 1.00 0.00 C ATOM 134 O ARG A 12 -11.248 -15.200 -4.576 1.00 0.00 O ATOM 135 CB ARG A 12 -13.602 -13.544 -6.511 1.00 0.00 C ATOM 136 CG ARG A 12 -14.019 -14.840 -7.186 1.00 0.00 C ATOM 137 CD ARG A 12 -14.698 -14.579 -8.522 1.00 0.00 C ATOM 138 NE ARG A 12 -14.981 -15.816 -9.243 1.00 0.00 N ATOM 139 CZ ARG A 12 -15.975 -16.639 -8.930 1.00 0.00 C ATOM 140 NH1 ARG A 12 -16.778 -16.357 -7.913 1.00 0.00 N ATOM 141 NH2 ARG A 12 -16.169 -17.747 -9.634 1.00 0.00 N ATOM 0 H ARG A 12 -13.348 -11.666 -4.881 1.00 0.00 H new ATOM 0 HA ARG A 12 -13.659 -14.522 -4.597 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -14.454 -12.864 -6.491 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -12.827 -13.066 -7.110 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -13.143 -15.470 -7.339 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -14.697 -15.390 -6.533 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -15.628 -14.036 -8.356 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -14.061 -13.941 -9.134 1.00 0.00 H new ATOM 0 HE ARG A 12 -14.382 -16.062 -10.031 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -16.633 -15.506 -7.369 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -17.541 -16.991 -7.675 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -15.554 -17.968 -10.417 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -16.933 -18.378 -9.392 1.00 0.00 H new ATOM 155 N CYS A 13 -10.786 -13.340 -5.755 1.00 0.00 N ATOM 156 CA CYS A 13 -9.361 -13.627 -5.860 1.00 0.00 C ATOM 157 C CYS A 13 -8.558 -12.752 -4.902 1.00 0.00 C ATOM 158 O CYS A 13 -7.502 -13.153 -4.415 1.00 0.00 O ATOM 159 CB CYS A 13 -8.879 -13.408 -7.295 1.00 0.00 C ATOM 160 SG CYS A 13 -8.977 -11.677 -7.856 1.00 0.00 S ATOM 0 H CYS A 13 -11.076 -12.473 -6.208 1.00 0.00 H new ATOM 0 HA CYS A 13 -9.205 -14.671 -5.588 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -7.846 -13.747 -7.376 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -9.472 -14.030 -7.965 1.00 0.00 H new ATOM 165 N GLY A 14 -9.067 -11.552 -4.638 1.00 0.00 N ATOM 166 CA GLY A 14 -8.385 -10.638 -3.740 1.00 0.00 C ATOM 167 C GLY A 14 -7.640 -9.546 -4.481 1.00 0.00 C ATOM 168 O GLY A 14 -6.607 -9.062 -4.016 1.00 0.00 O ATOM 0 H GLY A 14 -9.939 -11.197 -5.030 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -9.112 -10.185 -3.066 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.683 -11.197 -3.121 1.00 0.00 H new ATOM 172 N LYS A 15 -8.163 -9.156 -5.638 1.00 0.00 N ATOM 173 CA LYS A 15 -7.541 -8.113 -6.447 1.00 0.00 C ATOM 174 C LYS A 15 -8.415 -6.864 -6.490 1.00 0.00 C ATOM 175 O LYS A 15 -9.622 -6.929 -6.726 1.00 0.00 O ATOM 176 CB LYS A 15 -7.291 -8.622 -7.868 1.00 0.00 C ATOM 177 CG LYS A 15 -6.113 -9.575 -7.974 1.00 0.00 C ATOM 178 CD LYS A 15 -4.812 -8.828 -8.216 1.00 0.00 C ATOM 179 CE LYS A 15 -4.113 -8.490 -6.908 1.00 0.00 C ATOM 180 NZ LYS A 15 -2.713 -8.033 -7.130 1.00 0.00 N ATOM 0 H LYS A 15 -9.017 -9.546 -6.037 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.587 -7.852 -5.988 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.188 -9.125 -8.228 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.118 -7.770 -8.525 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.033 -10.160 -7.057 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.286 -10.280 -8.787 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.152 -9.435 -8.836 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.015 -7.911 -8.769 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.671 -7.711 -6.388 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.111 -9.367 -6.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.271 -7.812 -6.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.173 -8.786 -7.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.716 -7.182 -7.727 1.00 0.00 H new ATOM 194 N PRO A 16 -7.795 -5.698 -6.257 1.00 0.00 N ATOM 195 CA PRO A 16 -8.498 -4.411 -6.266 1.00 0.00 C ATOM 196 C PRO A 16 -8.946 -4.006 -7.665 1.00 0.00 C ATOM 197 O PRO A 16 -8.730 -4.734 -8.633 1.00 0.00 O ATOM 198 CB PRO A 16 -7.449 -3.431 -5.735 1.00 0.00 C ATOM 199 CG PRO A 16 -6.140 -4.061 -6.064 1.00 0.00 C ATOM 200 CD PRO A 16 -6.359 -5.545 -5.968 1.00 0.00 C ATOM 0 HA PRO A 16 -9.412 -4.441 -5.673 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.547 -2.453 -6.206 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.557 -3.280 -4.661 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.812 -3.779 -7.064 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.365 -3.735 -5.370 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -5.745 -6.089 -6.685 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -6.106 -5.925 -4.978 1.00 0.00 H new ATOM 208 N GLY A 17 -9.572 -2.837 -7.766 1.00 0.00 N ATOM 209 CA GLY A 17 -10.041 -2.354 -9.051 1.00 0.00 C ATOM 210 C GLY A 17 -11.383 -2.945 -9.438 1.00 0.00 C ATOM 211 O GLY A 17 -12.189 -2.292 -10.102 1.00 0.00 O ATOM 0 H GLY A 17 -9.763 -2.216 -6.980 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -10.121 -1.267 -9.020 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -9.306 -2.597 -9.818 1.00 0.00 H new ATOM 215 N HIS A 18 -11.624 -4.184 -9.023 1.00 0.00 N ATOM 216 CA HIS A 18 -12.878 -4.864 -9.331 1.00 0.00 C ATOM 217 C HIS A 18 -13.426 -5.578 -8.099 1.00 0.00 C ATOM 218 O HIS A 18 -12.737 -5.705 -7.086 1.00 0.00 O ATOM 219 CB HIS A 18 -12.673 -5.866 -10.467 1.00 0.00 C ATOM 220 CG HIS A 18 -11.814 -7.033 -10.089 1.00 0.00 C ATOM 221 ND1 HIS A 18 -10.443 -7.035 -10.230 1.00 0.00 N ATOM 222 CD2 HIS A 18 -12.139 -8.240 -9.570 1.00 0.00 C ATOM 223 CE1 HIS A 18 -9.961 -8.194 -9.816 1.00 0.00 C ATOM 224 NE2 HIS A 18 -10.970 -8.943 -9.410 1.00 0.00 N ATOM 0 H HIS A 18 -10.968 -4.738 -8.473 1.00 0.00 H new ATOM 0 HA HIS A 18 -13.603 -4.113 -9.646 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -13.645 -6.233 -10.797 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -12.221 -5.353 -11.316 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -9.887 -6.262 -10.597 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -13.133 -8.586 -9.327 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -8.920 -8.480 -9.811 1.00 0.00 H new ATOM 232 N TYR A 19 -14.667 -6.040 -8.193 1.00 0.00 N ATOM 233 CA TYR A 19 -15.309 -6.738 -7.085 1.00 0.00 C ATOM 234 C TYR A 19 -15.507 -8.214 -7.414 1.00 0.00 C ATOM 235 O TYR A 19 -15.173 -8.669 -8.508 1.00 0.00 O ATOM 236 CB TYR A 19 -16.656 -6.091 -6.759 1.00 0.00 C ATOM 237 CG TYR A 19 -17.366 -5.527 -7.968 1.00 0.00 C ATOM 238 CD1 TYR A 19 -16.833 -4.454 -8.674 1.00 0.00 C ATOM 239 CD2 TYR A 19 -18.569 -6.065 -8.406 1.00 0.00 C ATOM 240 CE1 TYR A 19 -17.478 -3.935 -9.779 1.00 0.00 C ATOM 241 CE2 TYR A 19 -19.221 -5.553 -9.511 1.00 0.00 C ATOM 242 CZ TYR A 19 -18.671 -4.488 -10.194 1.00 0.00 C ATOM 243 OH TYR A 19 -19.318 -3.974 -11.295 1.00 0.00 O ATOM 0 H TYR A 19 -15.249 -5.944 -9.025 1.00 0.00 H new ATOM 0 HA TYR A 19 -14.658 -6.662 -6.214 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -17.299 -6.831 -6.283 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -16.500 -5.292 -6.035 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -15.898 -4.019 -8.352 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -19.003 -6.898 -7.873 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -17.051 -3.101 -10.315 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -20.156 -5.984 -9.838 1.00 0.00 H new ATOM 0 HH TYR A 19 -20.144 -4.478 -11.454 1.00 0.00 H new ATOM 253 N ILE A 20 -16.054 -8.958 -6.458 1.00 0.00 N ATOM 254 CA ILE A 20 -16.299 -10.382 -6.645 1.00 0.00 C ATOM 255 C ILE A 20 -17.324 -10.624 -7.748 1.00 0.00 C ATOM 256 O ILE A 20 -17.407 -11.718 -8.305 1.00 0.00 O ATOM 257 CB ILE A 20 -16.795 -11.044 -5.345 1.00 0.00 C ATOM 258 CG1 ILE A 20 -17.079 -12.529 -5.579 1.00 0.00 C ATOM 259 CG2 ILE A 20 -18.040 -10.336 -4.832 1.00 0.00 C ATOM 260 CD1 ILE A 20 -16.857 -13.387 -4.353 1.00 0.00 C ATOM 0 H ILE A 20 -16.336 -8.598 -5.546 1.00 0.00 H new ATOM 0 HA ILE A 20 -15.348 -10.830 -6.932 1.00 0.00 H new ATOM 0 HB ILE A 20 -16.014 -10.957 -4.590 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -18.110 -12.645 -5.912 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -16.441 -12.890 -6.386 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -18.378 -10.815 -3.913 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -17.807 -9.290 -4.631 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -18.828 -10.395 -5.583 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -17.077 -14.427 -4.592 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -15.819 -13.301 -4.031 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -17.514 -13.052 -3.551 1.00 0.00 H new ATOM 272 N LYS A 21 -18.102 -9.593 -8.060 1.00 0.00 N ATOM 273 CA LYS A 21 -19.121 -9.690 -9.099 1.00 0.00 C ATOM 274 C LYS A 21 -18.558 -9.269 -10.453 1.00 0.00 C ATOM 275 O LYS A 21 -19.063 -9.675 -11.499 1.00 0.00 O ATOM 276 CB LYS A 21 -20.327 -8.819 -8.743 1.00 0.00 C ATOM 277 CG LYS A 21 -20.564 -8.690 -7.248 1.00 0.00 C ATOM 278 CD LYS A 21 -20.987 -10.014 -6.635 1.00 0.00 C ATOM 279 CE LYS A 21 -22.471 -10.276 -6.843 1.00 0.00 C ATOM 280 NZ LYS A 21 -23.316 -9.327 -6.067 1.00 0.00 N ATOM 0 H LYS A 21 -18.046 -8.680 -7.608 1.00 0.00 H new ATOM 0 HA LYS A 21 -19.440 -10.730 -9.165 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -20.184 -7.825 -9.167 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -21.218 -9.239 -9.209 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -19.653 -8.338 -6.763 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -21.333 -7.940 -7.064 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -20.408 -10.823 -7.079 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -20.763 -10.010 -5.568 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -22.710 -10.191 -7.903 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -22.705 -11.298 -6.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -24.260 -9.739 -5.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -22.875 -9.146 -5.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -23.404 -8.432 -6.590 1.00 0.00 H new ATOM 294 N ASN A 22 -17.510 -8.452 -10.425 1.00 0.00 N ATOM 295 CA ASN A 22 -16.878 -7.977 -11.651 1.00 0.00 C ATOM 296 C ASN A 22 -15.521 -8.643 -11.857 1.00 0.00 C ATOM 297 O ASN A 22 -14.742 -8.234 -12.719 1.00 0.00 O ATOM 298 CB ASN A 22 -16.712 -6.457 -11.607 1.00 0.00 C ATOM 299 CG ASN A 22 -15.758 -5.948 -12.671 1.00 0.00 C ATOM 300 OD1 ASN A 22 -15.815 -6.373 -13.825 1.00 0.00 O ATOM 301 ND2 ASN A 22 -14.875 -5.034 -12.286 1.00 0.00 N ATOM 0 H ASN A 22 -17.081 -8.105 -9.567 1.00 0.00 H new ATOM 0 HA ASN A 22 -17.523 -8.241 -12.489 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -17.685 -5.984 -11.739 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -16.346 -6.163 -10.624 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -14.207 -4.655 -12.958 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -14.864 -4.711 -11.319 1.00 0.00 H new ATOM 308 N CYS A 23 -15.246 -9.671 -11.062 1.00 0.00 N ATOM 309 CA CYS A 23 -13.983 -10.394 -11.156 1.00 0.00 C ATOM 310 C CYS A 23 -13.889 -11.153 -12.477 1.00 0.00 C ATOM 311 O CYS A 23 -14.818 -11.847 -12.891 1.00 0.00 O ATOM 312 CB CYS A 23 -13.841 -11.368 -9.984 1.00 0.00 C ATOM 313 SG CYS A 23 -12.254 -12.262 -9.949 1.00 0.00 S ATOM 0 H CYS A 23 -15.881 -10.023 -10.345 1.00 0.00 H new ATOM 0 HA CYS A 23 -13.172 -9.667 -11.116 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -13.956 -10.816 -9.051 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -14.654 -12.093 -10.028 1.00 0.00 H new ATOM 318 N PRO A 24 -12.739 -11.020 -13.154 1.00 0.00 N ATOM 319 CA PRO A 24 -12.495 -11.686 -14.437 1.00 0.00 C ATOM 320 C PRO A 24 -12.345 -13.196 -14.287 1.00 0.00 C ATOM 321 O PRO A 24 -12.979 -13.968 -15.007 1.00 0.00 O ATOM 322 CB PRO A 24 -11.181 -11.063 -14.915 1.00 0.00 C ATOM 323 CG PRO A 24 -10.496 -10.618 -13.669 1.00 0.00 C ATOM 324 CD PRO A 24 -11.589 -10.209 -12.720 1.00 0.00 C ATOM 0 HA PRO A 24 -13.325 -11.551 -15.131 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.576 -11.786 -15.462 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.362 -10.225 -15.588 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -9.893 -11.422 -13.247 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.822 -9.785 -13.870 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -11.320 -10.415 -11.684 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -11.801 -9.142 -12.788 1.00 0.00 H new ATOM 332 N THR A 25 -11.502 -13.612 -13.347 1.00 0.00 N ATOM 333 CA THR A 25 -11.269 -15.030 -13.103 1.00 0.00 C ATOM 334 C THR A 25 -12.536 -15.844 -13.338 1.00 0.00 C ATOM 335 O THR A 25 -12.480 -16.965 -13.840 1.00 0.00 O ATOM 336 CB THR A 25 -10.771 -15.278 -11.667 1.00 0.00 C ATOM 337 OG1 THR A 25 -11.869 -15.213 -10.750 1.00 0.00 O ATOM 338 CG2 THR A 25 -9.715 -14.255 -11.276 1.00 0.00 C ATOM 0 H THR A 25 -10.969 -12.987 -12.742 1.00 0.00 H new ATOM 0 HA THR A 25 -10.500 -15.350 -13.806 1.00 0.00 H new ATOM 0 HB THR A 25 -10.324 -16.271 -11.627 1.00 0.00 H new ATOM 0 HG1 THR A 25 -12.188 -14.289 -10.687 1.00 0.00 H new ATOM 0 HG21 THR A 25 -9.378 -14.450 -10.258 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.868 -14.327 -11.958 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.141 -13.253 -11.331 1.00 0.00 H new ATOM 346 N ASN A 26 -13.678 -15.271 -12.971 1.00 0.00 N ATOM 347 CA ASN A 26 -14.960 -15.945 -13.142 1.00 0.00 C ATOM 348 C ASN A 26 -15.017 -16.674 -14.481 1.00 0.00 C ATOM 349 O ASN A 26 -15.359 -17.854 -14.542 1.00 0.00 O ATOM 350 CB ASN A 26 -16.106 -14.935 -13.049 1.00 0.00 C ATOM 351 CG ASN A 26 -16.518 -14.659 -11.616 1.00 0.00 C ATOM 352 OD1 ASN A 26 -17.217 -15.459 -10.994 1.00 0.00 O ATOM 353 ND2 ASN A 26 -16.086 -13.521 -11.086 1.00 0.00 N ATOM 0 H ASN A 26 -13.742 -14.342 -12.554 1.00 0.00 H new ATOM 0 HA ASN A 26 -15.066 -16.680 -12.344 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -15.803 -14.001 -13.523 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -16.965 -15.311 -13.605 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -16.332 -13.280 -10.126 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -15.509 -12.888 -11.639 1.00 0.00 H new ATOM 360 N GLY A 27 -14.678 -15.962 -15.552 1.00 0.00 N ATOM 361 CA GLY A 27 -14.697 -16.558 -16.875 1.00 0.00 C ATOM 362 C GLY A 27 -13.420 -17.311 -17.190 1.00 0.00 C ATOM 363 O GLY A 27 -12.871 -17.186 -18.284 1.00 0.00 O ATOM 0 H GLY A 27 -14.391 -14.984 -15.527 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -15.545 -17.239 -16.951 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -14.848 -15.777 -17.620 1.00 0.00 H new ATOM 367 N ASP A 28 -12.944 -18.094 -16.228 1.00 0.00 N ATOM 368 CA ASP A 28 -11.722 -18.870 -16.407 1.00 0.00 C ATOM 369 C ASP A 28 -11.778 -20.165 -15.603 1.00 0.00 C ATOM 370 O ASP A 28 -12.077 -20.155 -14.409 1.00 0.00 O ATOM 371 CB ASP A 28 -10.504 -18.046 -15.988 1.00 0.00 C ATOM 372 CG ASP A 28 -10.049 -17.091 -17.074 1.00 0.00 C ATOM 373 OD1 ASP A 28 -10.640 -15.998 -17.188 1.00 0.00 O ATOM 374 OD2 ASP A 28 -9.102 -17.438 -17.811 1.00 0.00 O ATOM 0 H ASP A 28 -13.386 -18.208 -15.316 1.00 0.00 H new ATOM 0 HA ASP A 28 -11.633 -19.124 -17.463 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.744 -17.480 -15.088 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -9.685 -18.718 -15.733 1.00 0.00 H new ATOM 379 N LYS A 29 -11.488 -21.280 -16.265 1.00 0.00 N ATOM 380 CA LYS A 29 -11.504 -22.584 -15.613 1.00 0.00 C ATOM 381 C LYS A 29 -10.259 -22.778 -14.754 1.00 0.00 C ATOM 382 O LYS A 29 -10.349 -23.195 -13.600 1.00 0.00 O ATOM 383 CB LYS A 29 -11.595 -23.698 -16.658 1.00 0.00 C ATOM 384 CG LYS A 29 -13.012 -23.977 -17.129 1.00 0.00 C ATOM 385 CD LYS A 29 -13.837 -24.650 -16.044 1.00 0.00 C ATOM 386 CE LYS A 29 -13.713 -26.164 -16.109 1.00 0.00 C ATOM 387 NZ LYS A 29 -14.701 -26.763 -17.049 1.00 0.00 N ATOM 0 H LYS A 29 -11.239 -21.307 -17.254 1.00 0.00 H new ATOM 0 HA LYS A 29 -12.380 -22.629 -14.966 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.982 -23.429 -17.518 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -11.174 -24.612 -16.240 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -13.489 -23.042 -17.424 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -12.984 -24.613 -18.014 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.509 -24.299 -15.066 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -14.883 -24.365 -16.151 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -12.704 -26.432 -16.423 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -13.859 -26.583 -15.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -14.583 -27.796 -17.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -15.665 -26.529 -16.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -14.546 -26.383 -18.004 1.00 0.00 H new ATOM 401 N ASN A 30 -9.098 -22.471 -15.324 1.00 0.00 N ATOM 402 CA ASN A 30 -7.835 -22.611 -14.609 1.00 0.00 C ATOM 403 C ASN A 30 -7.175 -21.252 -14.398 1.00 0.00 C ATOM 404 O ASN A 30 -6.620 -20.668 -15.329 1.00 0.00 O ATOM 405 CB ASN A 30 -6.889 -23.535 -15.379 1.00 0.00 C ATOM 406 CG ASN A 30 -5.463 -23.457 -14.870 1.00 0.00 C ATOM 407 OD1 ASN A 30 -5.131 -24.025 -13.829 1.00 0.00 O ATOM 408 ND2 ASN A 30 -4.611 -22.751 -15.604 1.00 0.00 N ATOM 0 H ASN A 30 -9.006 -22.124 -16.279 1.00 0.00 H new ATOM 0 HA ASN A 30 -8.046 -23.048 -13.633 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -7.245 -24.562 -15.299 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -6.909 -23.272 -16.437 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -3.638 -22.663 -15.312 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -4.930 -22.297 -16.460 1.00 0.00 H new ATOM 415 N PHE A 31 -7.240 -20.754 -13.168 1.00 0.00 N ATOM 416 CA PHE A 31 -6.649 -19.463 -12.834 1.00 0.00 C ATOM 417 C PHE A 31 -5.660 -19.599 -11.681 1.00 0.00 C ATOM 418 O PHE A 31 -6.037 -19.957 -10.565 1.00 0.00 O ATOM 419 CB PHE A 31 -7.743 -18.458 -12.466 1.00 0.00 C ATOM 420 CG PHE A 31 -8.543 -18.857 -11.260 1.00 0.00 C ATOM 421 CD1 PHE A 31 -9.371 -19.967 -11.298 1.00 0.00 C ATOM 422 CD2 PHE A 31 -8.466 -18.123 -10.087 1.00 0.00 C ATOM 423 CE1 PHE A 31 -10.109 -20.336 -10.189 1.00 0.00 C ATOM 424 CE2 PHE A 31 -9.201 -18.488 -8.975 1.00 0.00 C ATOM 425 CZ PHE A 31 -10.023 -19.597 -9.026 1.00 0.00 C ATOM 0 H PHE A 31 -7.696 -21.224 -12.386 1.00 0.00 H new ATOM 0 HA PHE A 31 -6.111 -19.101 -13.710 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -7.285 -17.486 -12.283 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -8.416 -18.339 -13.315 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -9.441 -20.551 -12.204 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -7.824 -17.256 -10.041 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -10.753 -21.202 -10.232 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -9.133 -17.907 -8.067 1.00 0.00 H new ATOM 0 HZ PHE A 31 -10.597 -19.885 -8.158 1.00 0.00 H new ATOM 435 N GLU A 32 -4.392 -19.312 -11.959 1.00 0.00 N ATOM 436 CA GLU A 32 -3.348 -19.404 -10.946 1.00 0.00 C ATOM 437 C GLU A 32 -2.634 -18.066 -10.777 1.00 0.00 C ATOM 438 O GLU A 32 -2.356 -17.371 -11.754 1.00 0.00 O ATOM 439 CB GLU A 32 -2.337 -20.490 -11.320 1.00 0.00 C ATOM 440 CG GLU A 32 -1.560 -20.187 -12.590 1.00 0.00 C ATOM 441 CD GLU A 32 -2.417 -20.292 -13.837 1.00 0.00 C ATOM 442 OE1 GLU A 32 -3.157 -21.290 -13.967 1.00 0.00 O ATOM 443 OE2 GLU A 32 -2.347 -19.376 -14.683 1.00 0.00 O ATOM 0 H GLU A 32 -4.063 -19.014 -12.877 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.819 -19.667 -9.999 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.635 -20.620 -10.497 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -2.863 -21.437 -11.443 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.142 -19.183 -12.525 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.720 -20.877 -12.671 1.00 0.00 H new ATOM 450 N SER A 33 -2.341 -17.712 -9.529 1.00 0.00 N ATOM 451 CA SER A 33 -1.664 -16.456 -9.231 1.00 0.00 C ATOM 452 C SER A 33 -0.152 -16.653 -9.177 1.00 0.00 C ATOM 453 O SER A 33 0.365 -17.337 -8.295 1.00 0.00 O ATOM 454 CB SER A 33 -2.163 -15.886 -7.901 1.00 0.00 C ATOM 455 OG SER A 33 -1.825 -16.740 -6.822 1.00 0.00 O ATOM 0 H SER A 33 -2.562 -18.277 -8.709 1.00 0.00 H new ATOM 0 HA SER A 33 -1.893 -15.750 -10.030 1.00 0.00 H new ATOM 0 HB2 SER A 33 -1.728 -14.900 -7.738 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.244 -15.755 -7.941 1.00 0.00 H new ATOM 0 HG SER A 33 -0.978 -17.193 -7.016 1.00 0.00 H new ATOM 461 N GLY A 34 0.552 -16.048 -10.129 1.00 0.00 N ATOM 462 CA GLY A 34 1.998 -16.168 -10.173 1.00 0.00 C ATOM 463 C GLY A 34 2.629 -16.077 -8.798 1.00 0.00 C ATOM 464 O GLY A 34 2.343 -15.167 -8.019 1.00 0.00 O ATOM 0 H GLY A 34 0.147 -15.477 -10.871 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.267 -17.120 -10.630 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.406 -15.382 -10.809 1.00 0.00 H new ATOM 468 N PRO A 35 3.509 -17.038 -8.481 1.00 0.00 N ATOM 469 CA PRO A 35 4.200 -17.085 -7.189 1.00 0.00 C ATOM 470 C PRO A 35 5.222 -15.963 -7.038 1.00 0.00 C ATOM 471 O PRO A 35 5.838 -15.811 -5.983 1.00 0.00 O ATOM 472 CB PRO A 35 4.900 -18.446 -7.210 1.00 0.00 C ATOM 473 CG PRO A 35 5.081 -18.757 -8.656 1.00 0.00 C ATOM 474 CD PRO A 35 3.898 -18.154 -9.361 1.00 0.00 C ATOM 0 HA PRO A 35 3.512 -16.958 -6.354 1.00 0.00 H new ATOM 0 HB2 PRO A 35 5.858 -18.407 -6.691 1.00 0.00 H new ATOM 0 HB3 PRO A 35 4.299 -19.208 -6.713 1.00 0.00 H new ATOM 0 HG2 PRO A 35 6.014 -18.337 -9.031 1.00 0.00 H new ATOM 0 HG3 PRO A 35 5.126 -19.834 -8.821 1.00 0.00 H new ATOM 0 HD2 PRO A 35 4.160 -17.806 -10.360 1.00 0.00 H new ATOM 0 HD3 PRO A 35 3.089 -18.875 -9.477 1.00 0.00 H new ATOM 482 N ARG A 36 5.397 -15.181 -8.098 1.00 0.00 N ATOM 483 CA ARG A 36 6.345 -14.074 -8.082 1.00 0.00 C ATOM 484 C ARG A 36 5.693 -12.807 -7.534 1.00 0.00 C ATOM 485 O ARG A 36 4.472 -12.739 -7.389 1.00 0.00 O ATOM 486 CB ARG A 36 6.883 -13.815 -9.490 1.00 0.00 C ATOM 487 CG ARG A 36 8.009 -14.751 -9.894 1.00 0.00 C ATOM 488 CD ARG A 36 9.368 -14.185 -9.514 1.00 0.00 C ATOM 489 NE ARG A 36 9.636 -14.317 -8.084 1.00 0.00 N ATOM 490 CZ ARG A 36 10.687 -13.774 -7.480 1.00 0.00 C ATOM 491 NH1 ARG A 36 11.564 -13.065 -8.177 1.00 0.00 N ATOM 492 NH2 ARG A 36 10.862 -13.938 -6.175 1.00 0.00 N ATOM 0 H ARG A 36 4.895 -15.294 -8.979 1.00 0.00 H new ATOM 0 HA ARG A 36 7.173 -14.348 -7.428 1.00 0.00 H new ATOM 0 HB2 ARG A 36 6.066 -13.913 -10.205 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.238 -12.786 -9.550 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.869 -15.719 -9.412 1.00 0.00 H new ATOM 0 HG3 ARG A 36 7.973 -14.922 -10.970 1.00 0.00 H new ATOM 0 HD2 ARG A 36 10.146 -14.700 -10.078 1.00 0.00 H new ATOM 0 HD3 ARG A 36 9.414 -13.133 -9.796 1.00 0.00 H new ATOM 0 HE ARG A 36 8.980 -14.856 -7.518 1.00 0.00 H new ATOM 0 HH11 ARG A 36 11.433 -12.935 -9.180 1.00 0.00 H new ATOM 0 HH12 ARG A 36 12.370 -12.649 -7.710 1.00 0.00 H new ATOM 0 HH21 ARG A 36 10.189 -14.482 -5.635 1.00 0.00 H new ATOM 0 HH22 ARG A 36 11.669 -13.521 -5.712 1.00 0.00 H new ATOM 506 N ILE A 37 6.515 -11.808 -7.231 1.00 0.00 N ATOM 507 CA ILE A 37 6.018 -10.545 -6.700 1.00 0.00 C ATOM 508 C ILE A 37 6.061 -9.449 -7.759 1.00 0.00 C ATOM 509 O ILE A 37 5.358 -8.443 -7.657 1.00 0.00 O ATOM 510 CB ILE A 37 6.832 -10.091 -5.474 1.00 0.00 C ATOM 511 CG1 ILE A 37 6.246 -8.802 -4.895 1.00 0.00 C ATOM 512 CG2 ILE A 37 8.292 -9.892 -5.852 1.00 0.00 C ATOM 513 CD1 ILE A 37 6.647 -8.548 -3.458 1.00 0.00 C ATOM 0 H ILE A 37 7.528 -11.849 -7.344 1.00 0.00 H new ATOM 0 HA ILE A 37 4.985 -10.714 -6.397 1.00 0.00 H new ATOM 0 HB ILE A 37 6.777 -10.868 -4.711 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.567 -7.959 -5.508 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.159 -8.846 -4.958 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.854 -9.571 -4.975 1.00 0.00 H new ATOM 0 HG22 ILE A 37 8.703 -10.831 -6.223 1.00 0.00 H new ATOM 0 HG23 ILE A 37 8.366 -9.131 -6.629 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.196 -7.618 -3.113 1.00 0.00 H new ATOM 0 HD12 ILE A 37 6.303 -9.372 -2.833 1.00 0.00 H new ATOM 0 HD13 ILE A 37 7.732 -8.471 -3.391 1.00 0.00 H new ATOM 525 N LYS A 38 6.889 -9.650 -8.779 1.00 0.00 N ATOM 526 CA LYS A 38 7.023 -8.681 -9.860 1.00 0.00 C ATOM 527 C LYS A 38 6.603 -9.293 -11.193 1.00 0.00 C ATOM 528 O LYS A 38 7.075 -10.365 -11.572 1.00 0.00 O ATOM 529 CB LYS A 38 8.466 -8.180 -9.948 1.00 0.00 C ATOM 530 CG LYS A 38 8.826 -7.170 -8.872 1.00 0.00 C ATOM 531 CD LYS A 38 9.955 -6.257 -9.319 1.00 0.00 C ATOM 532 CE LYS A 38 10.267 -5.202 -8.270 1.00 0.00 C ATOM 533 NZ LYS A 38 10.757 -5.809 -7.001 1.00 0.00 N ATOM 0 H LYS A 38 7.478 -10.477 -8.879 1.00 0.00 H new ATOM 0 HA LYS A 38 6.366 -7.839 -9.644 1.00 0.00 H new ATOM 0 HB2 LYS A 38 9.142 -9.032 -9.876 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.626 -7.728 -10.927 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.949 -6.572 -8.626 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.120 -7.695 -7.963 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.848 -6.850 -9.516 1.00 0.00 H new ATOM 0 HD3 LYS A 38 9.682 -5.771 -10.256 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.019 -4.515 -8.658 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.372 -4.614 -8.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 11.102 -5.059 -6.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.979 -6.322 -6.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 11.533 -6.470 -7.209 1.00 0.00 H new ATOM 547 N LYS A 39 5.716 -8.603 -11.902 1.00 0.00 N ATOM 548 CA LYS A 39 5.235 -9.076 -13.194 1.00 0.00 C ATOM 549 C LYS A 39 5.762 -8.198 -14.325 1.00 0.00 C ATOM 550 O LYS A 39 6.099 -7.033 -14.114 1.00 0.00 O ATOM 551 CB LYS A 39 3.705 -9.092 -13.218 1.00 0.00 C ATOM 552 CG LYS A 39 3.091 -10.024 -12.188 1.00 0.00 C ATOM 553 CD LYS A 39 2.852 -11.410 -12.763 1.00 0.00 C ATOM 554 CE LYS A 39 4.043 -12.326 -12.523 1.00 0.00 C ATOM 555 NZ LYS A 39 3.824 -13.682 -13.097 1.00 0.00 N ATOM 0 H LYS A 39 5.316 -7.714 -11.603 1.00 0.00 H new ATOM 0 HA LYS A 39 5.605 -10.091 -13.342 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.337 -8.081 -13.046 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.369 -9.389 -14.211 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.750 -10.097 -11.323 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.147 -9.607 -11.836 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.961 -11.844 -12.310 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.661 -11.333 -13.833 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.936 -11.884 -12.965 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.226 -12.410 -11.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.658 -14.276 -12.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.987 -14.114 -12.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.674 -13.605 -14.123 1.00 0.00 H new ATOM 569 N SER A 40 5.828 -8.764 -15.526 1.00 0.00 N ATOM 570 CA SER A 40 6.316 -8.034 -16.690 1.00 0.00 C ATOM 571 C SER A 40 7.784 -7.656 -16.518 1.00 0.00 C ATOM 572 O SER A 40 8.208 -6.567 -16.908 1.00 0.00 O ATOM 573 CB SER A 40 5.477 -6.775 -16.917 1.00 0.00 C ATOM 574 OG SER A 40 5.708 -6.233 -18.205 1.00 0.00 O ATOM 0 H SER A 40 5.549 -9.726 -15.718 1.00 0.00 H new ATOM 0 HA SER A 40 6.226 -8.684 -17.560 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.420 -7.014 -16.804 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.719 -6.031 -16.158 1.00 0.00 H new ATOM 0 HG SER A 40 6.672 -6.133 -18.350 1.00 0.00 H new ATOM 580 N THR A 41 8.557 -8.563 -15.929 1.00 0.00 N ATOM 581 CA THR A 41 9.977 -8.326 -15.704 1.00 0.00 C ATOM 582 C THR A 41 10.751 -8.332 -17.017 1.00 0.00 C ATOM 583 O THR A 41 10.667 -9.282 -17.794 1.00 0.00 O ATOM 584 CB THR A 41 10.580 -9.385 -14.761 1.00 0.00 C ATOM 585 OG1 THR A 41 9.776 -9.506 -13.582 1.00 0.00 O ATOM 586 CG2 THR A 41 12.004 -9.016 -14.373 1.00 0.00 C ATOM 0 H THR A 41 8.223 -9.469 -15.599 1.00 0.00 H new ATOM 0 HA THR A 41 10.064 -7.344 -15.239 1.00 0.00 H new ATOM 0 HB THR A 41 10.599 -10.339 -15.287 1.00 0.00 H new ATOM 0 HG1 THR A 41 10.165 -10.182 -12.989 1.00 0.00 H new ATOM 0 HG21 THR A 41 12.409 -9.778 -13.707 1.00 0.00 H new ATOM 0 HG22 THR A 41 12.621 -8.953 -15.270 1.00 0.00 H new ATOM 0 HG23 THR A 41 12.004 -8.052 -13.864 1.00 0.00 H new ATOM 594 N GLY A 42 11.507 -7.264 -17.258 1.00 0.00 N ATOM 595 CA GLY A 42 12.286 -7.167 -18.479 1.00 0.00 C ATOM 596 C GLY A 42 11.626 -6.284 -19.519 1.00 0.00 C ATOM 597 O GLY A 42 12.130 -5.206 -19.837 1.00 0.00 O ATOM 0 H GLY A 42 11.594 -6.465 -16.630 1.00 0.00 H new ATOM 0 HA2 GLY A 42 13.274 -6.771 -18.245 1.00 0.00 H new ATOM 0 HA3 GLY A 42 12.432 -8.165 -18.893 1.00 0.00 H new ATOM 601 N ILE A 43 10.497 -6.741 -20.050 1.00 0.00 N ATOM 602 CA ILE A 43 9.768 -5.984 -21.061 1.00 0.00 C ATOM 603 C ILE A 43 8.511 -5.351 -20.474 1.00 0.00 C ATOM 604 O ILE A 43 7.915 -5.860 -19.524 1.00 0.00 O ATOM 605 CB ILE A 43 9.372 -6.874 -22.254 1.00 0.00 C ATOM 606 CG1 ILE A 43 8.440 -7.997 -21.792 1.00 0.00 C ATOM 607 CG2 ILE A 43 10.612 -7.449 -22.921 1.00 0.00 C ATOM 608 CD1 ILE A 43 6.990 -7.576 -21.694 1.00 0.00 C ATOM 0 H ILE A 43 10.067 -7.631 -19.797 1.00 0.00 H new ATOM 0 HA ILE A 43 10.438 -5.199 -21.411 1.00 0.00 H new ATOM 0 HB ILE A 43 8.841 -6.263 -22.984 1.00 0.00 H new ATOM 0 HG12 ILE A 43 8.521 -8.834 -22.486 1.00 0.00 H new ATOM 0 HG13 ILE A 43 8.772 -8.357 -20.818 1.00 0.00 H new ATOM 0 HG21 ILE A 43 10.315 -8.076 -23.762 1.00 0.00 H new ATOM 0 HG22 ILE A 43 11.243 -6.635 -23.279 1.00 0.00 H new ATOM 0 HG23 ILE A 43 11.168 -8.049 -22.200 1.00 0.00 H new ATOM 0 HD11 ILE A 43 6.387 -8.421 -21.361 1.00 0.00 H new ATOM 0 HD12 ILE A 43 6.896 -6.759 -20.978 1.00 0.00 H new ATOM 0 HD13 ILE A 43 6.641 -7.244 -22.672 1.00 0.00 H new ATOM 620 N PRO A 44 8.096 -4.214 -21.051 1.00 0.00 N ATOM 621 CA PRO A 44 6.904 -3.488 -20.603 1.00 0.00 C ATOM 622 C PRO A 44 5.615 -4.236 -20.923 1.00 0.00 C ATOM 623 O PRO A 44 4.715 -4.327 -20.088 1.00 0.00 O ATOM 624 CB PRO A 44 6.971 -2.177 -21.391 1.00 0.00 C ATOM 625 CG PRO A 44 7.761 -2.507 -22.610 1.00 0.00 C ATOM 626 CD PRO A 44 8.758 -3.550 -22.187 1.00 0.00 C ATOM 0 HA PRO A 44 6.892 -3.352 -19.522 1.00 0.00 H new ATOM 0 HB2 PRO A 44 5.974 -1.820 -21.650 1.00 0.00 H new ATOM 0 HB3 PRO A 44 7.451 -1.390 -20.809 1.00 0.00 H new ATOM 0 HG2 PRO A 44 7.115 -2.883 -23.403 1.00 0.00 H new ATOM 0 HG3 PRO A 44 8.264 -1.622 -23.001 1.00 0.00 H new ATOM 0 HD2 PRO A 44 8.972 -4.252 -22.993 1.00 0.00 H new ATOM 0 HD3 PRO A 44 9.708 -3.103 -21.893 1.00 0.00 H new ATOM 634 N ARG A 45 5.532 -4.771 -22.137 1.00 0.00 N ATOM 635 CA ARG A 45 4.352 -5.511 -22.567 1.00 0.00 C ATOM 636 C ARG A 45 4.707 -6.512 -23.662 1.00 0.00 C ATOM 637 O ARG A 45 5.604 -6.272 -24.470 1.00 0.00 O ATOM 638 CB ARG A 45 3.275 -4.548 -23.071 1.00 0.00 C ATOM 639 CG ARG A 45 3.832 -3.356 -23.832 1.00 0.00 C ATOM 640 CD ARG A 45 3.922 -3.639 -25.323 1.00 0.00 C ATOM 641 NE ARG A 45 2.610 -3.896 -25.911 1.00 0.00 N ATOM 642 CZ ARG A 45 2.414 -4.102 -27.208 1.00 0.00 C ATOM 643 NH1 ARG A 45 3.439 -4.081 -28.049 1.00 0.00 N ATOM 644 NH2 ARG A 45 1.190 -4.329 -27.668 1.00 0.00 N ATOM 0 H ARG A 45 6.268 -4.706 -22.840 1.00 0.00 H new ATOM 0 HA ARG A 45 3.966 -6.060 -21.708 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.587 -5.092 -23.718 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.696 -4.187 -22.221 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.197 -2.486 -23.663 1.00 0.00 H new ATOM 0 HG3 ARG A 45 4.821 -3.108 -23.447 1.00 0.00 H new ATOM 0 HD2 ARG A 45 4.385 -2.790 -25.826 1.00 0.00 H new ATOM 0 HD3 ARG A 45 4.569 -4.500 -25.490 1.00 0.00 H new ATOM 0 HE ARG A 45 1.800 -3.918 -25.291 1.00 0.00 H new ATOM 0 HH11 ARG A 45 4.381 -3.906 -27.700 1.00 0.00 H new ATOM 0 HH12 ARG A 45 3.285 -4.240 -29.045 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.398 -4.345 -27.025 1.00 0.00 H new ATOM 0 HH22 ARG A 45 1.041 -4.487 -28.665 1.00 0.00 H new ATOM 658 N SER A 46 3.997 -7.636 -23.683 1.00 0.00 N ATOM 659 CA SER A 46 4.240 -8.675 -24.676 1.00 0.00 C ATOM 660 C SER A 46 3.030 -9.595 -24.807 1.00 0.00 C ATOM 661 O SER A 46 2.043 -9.448 -24.086 1.00 0.00 O ATOM 662 CB SER A 46 5.477 -9.493 -24.297 1.00 0.00 C ATOM 663 OG SER A 46 6.667 -8.796 -24.620 1.00 0.00 O ATOM 0 H SER A 46 3.249 -7.850 -23.023 1.00 0.00 H new ATOM 0 HA SER A 46 4.413 -8.191 -25.637 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.459 -9.713 -23.230 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.459 -10.449 -24.820 1.00 0.00 H new ATOM 0 HG SER A 46 6.471 -7.841 -24.715 1.00 0.00 H new ATOM 669 N PHE A 47 3.113 -10.544 -25.734 1.00 0.00 N ATOM 670 CA PHE A 47 2.025 -11.487 -25.962 1.00 0.00 C ATOM 671 C PHE A 47 1.925 -12.489 -24.815 1.00 0.00 C ATOM 672 O PHE A 47 2.935 -12.896 -24.243 1.00 0.00 O ATOM 673 CB PHE A 47 2.232 -12.228 -27.285 1.00 0.00 C ATOM 674 CG PHE A 47 3.606 -12.816 -27.433 1.00 0.00 C ATOM 675 CD1 PHE A 47 4.662 -12.039 -27.882 1.00 0.00 C ATOM 676 CD2 PHE A 47 3.842 -14.146 -27.124 1.00 0.00 C ATOM 677 CE1 PHE A 47 5.928 -12.578 -28.019 1.00 0.00 C ATOM 678 CE2 PHE A 47 5.105 -14.690 -27.259 1.00 0.00 C ATOM 679 CZ PHE A 47 6.149 -13.905 -27.709 1.00 0.00 C ATOM 0 H PHE A 47 3.923 -10.680 -26.339 1.00 0.00 H new ATOM 0 HA PHE A 47 1.093 -10.923 -26.012 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.493 -13.026 -27.365 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.049 -11.540 -28.110 1.00 0.00 H new ATOM 0 HD1 PHE A 47 4.494 -11.001 -28.128 1.00 0.00 H new ATOM 0 HD2 PHE A 47 3.029 -14.765 -26.773 1.00 0.00 H new ATOM 0 HE1 PHE A 47 6.743 -11.961 -28.368 1.00 0.00 H new ATOM 0 HE2 PHE A 47 5.276 -15.728 -27.013 1.00 0.00 H new ATOM 0 HZ PHE A 47 7.136 -14.329 -27.818 1.00 0.00 H new ATOM 689 N MET A 48 0.698 -12.882 -24.486 1.00 0.00 N ATOM 690 CA MET A 48 0.466 -13.837 -23.409 1.00 0.00 C ATOM 691 C MET A 48 -0.244 -15.082 -23.930 1.00 0.00 C ATOM 692 O MET A 48 -1.397 -15.018 -24.357 1.00 0.00 O ATOM 693 CB MET A 48 -0.363 -13.191 -22.297 1.00 0.00 C ATOM 694 CG MET A 48 0.434 -12.241 -21.418 1.00 0.00 C ATOM 695 SD MET A 48 -0.612 -11.066 -20.537 1.00 0.00 S ATOM 696 CE MET A 48 -0.982 -9.897 -21.843 1.00 0.00 C ATOM 0 H MET A 48 -0.149 -12.554 -24.949 1.00 0.00 H new ATOM 0 HA MET A 48 1.434 -14.135 -23.006 1.00 0.00 H new ATOM 0 HB2 MET A 48 -1.195 -12.647 -22.745 1.00 0.00 H new ATOM 0 HB3 MET A 48 -0.793 -13.975 -21.674 1.00 0.00 H new ATOM 0 HG2 MET A 48 1.012 -12.819 -20.697 1.00 0.00 H new ATOM 0 HG3 MET A 48 1.148 -11.695 -22.034 1.00 0.00 H new ATOM 0 HE1 MET A 48 -1.009 -8.888 -21.431 1.00 0.00 H new ATOM 0 HE2 MET A 48 -0.211 -9.954 -22.612 1.00 0.00 H new ATOM 0 HE3 MET A 48 -1.951 -10.136 -22.282 1.00 0.00 H new ATOM 706 N MET A 49 0.452 -16.214 -23.893 1.00 0.00 N ATOM 707 CA MET A 49 -0.114 -17.474 -24.361 1.00 0.00 C ATOM 708 C MET A 49 0.701 -18.658 -23.851 1.00 0.00 C ATOM 709 O MET A 49 1.712 -18.480 -23.172 1.00 0.00 O ATOM 710 CB MET A 49 -0.166 -17.497 -25.890 1.00 0.00 C ATOM 711 CG MET A 49 1.109 -16.997 -26.550 1.00 0.00 C ATOM 712 SD MET A 49 1.116 -17.258 -28.334 1.00 0.00 S ATOM 713 CE MET A 49 0.260 -15.787 -28.894 1.00 0.00 C ATOM 0 H MET A 49 1.408 -16.284 -23.544 1.00 0.00 H new ATOM 0 HA MET A 49 -1.128 -17.557 -23.969 1.00 0.00 H new ATOM 0 HB2 MET A 49 -0.362 -18.516 -26.223 1.00 0.00 H new ATOM 0 HB3 MET A 49 -1.003 -16.885 -26.226 1.00 0.00 H new ATOM 0 HG2 MET A 49 1.228 -15.934 -26.342 1.00 0.00 H new ATOM 0 HG3 MET A 49 1.966 -17.506 -26.109 1.00 0.00 H new ATOM 0 HE1 MET A 49 0.184 -15.802 -29.981 1.00 0.00 H new ATOM 0 HE2 MET A 49 -0.740 -15.761 -28.461 1.00 0.00 H new ATOM 0 HE3 MET A 49 0.814 -14.902 -28.581 1.00 0.00 H new ATOM 723 N GLU A 50 0.254 -19.865 -24.182 1.00 0.00 N ATOM 724 CA GLU A 50 0.942 -21.078 -23.755 1.00 0.00 C ATOM 725 C GLU A 50 2.177 -21.334 -24.614 1.00 0.00 C ATOM 726 O GLU A 50 2.807 -22.387 -24.518 1.00 0.00 O ATOM 727 CB GLU A 50 -0.002 -22.280 -23.829 1.00 0.00 C ATOM 728 CG GLU A 50 -0.362 -22.684 -25.249 1.00 0.00 C ATOM 729 CD GLU A 50 -1.090 -24.013 -25.310 1.00 0.00 C ATOM 730 OE1 GLU A 50 -0.431 -25.059 -25.131 1.00 0.00 O ATOM 731 OE2 GLU A 50 -2.318 -24.008 -25.537 1.00 0.00 O ATOM 0 H GLU A 50 -0.581 -20.029 -24.744 1.00 0.00 H new ATOM 0 HA GLU A 50 1.261 -20.939 -22.722 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.463 -23.128 -23.326 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -0.916 -22.047 -23.283 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -0.987 -21.911 -25.696 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.547 -22.744 -25.847 1.00 0.00 H new ATOM 738 N VAL A 51 2.517 -20.362 -25.455 1.00 0.00 N ATOM 739 CA VAL A 51 3.677 -20.480 -26.331 1.00 0.00 C ATOM 740 C VAL A 51 4.925 -20.858 -25.543 1.00 0.00 C ATOM 741 O VAL A 51 5.101 -20.439 -24.398 1.00 0.00 O ATOM 742 CB VAL A 51 3.941 -19.167 -27.092 1.00 0.00 C ATOM 743 CG1 VAL A 51 4.336 -18.060 -26.126 1.00 0.00 C ATOM 744 CG2 VAL A 51 5.016 -19.372 -28.149 1.00 0.00 C ATOM 0 H VAL A 51 2.006 -19.484 -25.548 1.00 0.00 H new ATOM 0 HA VAL A 51 3.452 -21.269 -27.049 1.00 0.00 H new ATOM 0 HB VAL A 51 3.021 -18.867 -27.594 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.519 -17.140 -26.682 1.00 0.00 H new ATOM 0 HG12 VAL A 51 3.531 -17.898 -25.410 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.242 -18.348 -25.593 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.190 -18.435 -28.677 1.00 0.00 H new ATOM 0 HG22 VAL A 51 5.940 -19.696 -27.670 1.00 0.00 H new ATOM 0 HG23 VAL A 51 4.689 -20.133 -28.858 1.00 0.00 H new ATOM 754 N LYS A 52 5.791 -21.653 -26.162 1.00 0.00 N ATOM 755 CA LYS A 52 7.026 -22.088 -25.520 1.00 0.00 C ATOM 756 C LYS A 52 8.022 -20.937 -25.420 1.00 0.00 C ATOM 757 O LYS A 52 7.839 -19.890 -26.042 1.00 0.00 O ATOM 758 CB LYS A 52 7.649 -23.249 -26.299 1.00 0.00 C ATOM 759 CG LYS A 52 8.701 -24.013 -25.514 1.00 0.00 C ATOM 760 CD LYS A 52 8.969 -25.378 -26.124 1.00 0.00 C ATOM 761 CE LYS A 52 9.897 -25.279 -27.326 1.00 0.00 C ATOM 762 NZ LYS A 52 10.100 -26.602 -27.979 1.00 0.00 N ATOM 0 H LYS A 52 5.660 -22.010 -27.109 1.00 0.00 H new ATOM 0 HA LYS A 52 6.783 -22.424 -24.512 1.00 0.00 H new ATOM 0 HB2 LYS A 52 6.860 -23.939 -26.600 1.00 0.00 H new ATOM 0 HB3 LYS A 52 8.100 -22.862 -27.213 1.00 0.00 H new ATOM 0 HG2 LYS A 52 9.626 -23.437 -25.488 1.00 0.00 H new ATOM 0 HG3 LYS A 52 8.371 -24.133 -24.482 1.00 0.00 H new ATOM 0 HD2 LYS A 52 9.412 -26.032 -25.374 1.00 0.00 H new ATOM 0 HD3 LYS A 52 8.026 -25.834 -26.427 1.00 0.00 H new ATOM 0 HE2 LYS A 52 9.482 -24.577 -28.049 1.00 0.00 H new ATOM 0 HE3 LYS A 52 10.860 -24.878 -27.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 10.738 -26.493 -28.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 10.520 -27.265 -27.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 9.184 -26.973 -28.304 1.00 0.00 H new ATOM 776 N ASP A 53 9.074 -21.138 -24.635 1.00 0.00 N ATOM 777 CA ASP A 53 10.101 -20.117 -24.456 1.00 0.00 C ATOM 778 C ASP A 53 11.078 -20.118 -25.628 1.00 0.00 C ATOM 779 O ASP A 53 11.779 -21.097 -25.883 1.00 0.00 O ATOM 780 CB ASP A 53 10.856 -20.347 -23.146 1.00 0.00 C ATOM 781 CG ASP A 53 10.001 -20.060 -21.927 1.00 0.00 C ATOM 782 OD1 ASP A 53 9.090 -19.212 -22.029 1.00 0.00 O ATOM 783 OD2 ASP A 53 10.245 -20.682 -20.872 1.00 0.00 O ATOM 0 H ASP A 53 9.239 -21.998 -24.112 1.00 0.00 H new ATOM 0 HA ASP A 53 9.609 -19.145 -24.417 1.00 0.00 H new ATOM 0 HB2 ASP A 53 11.204 -21.379 -23.107 1.00 0.00 H new ATOM 0 HB3 ASP A 53 11.741 -19.711 -23.123 1.00 0.00 H new ATOM 788 N PRO A 54 11.125 -18.994 -26.360 1.00 0.00 N ATOM 789 CA PRO A 54 12.012 -18.840 -27.517 1.00 0.00 C ATOM 790 C PRO A 54 13.481 -18.757 -27.115 1.00 0.00 C ATOM 791 O PRO A 54 14.325 -19.465 -27.662 1.00 0.00 O ATOM 792 CB PRO A 54 11.553 -17.521 -28.142 1.00 0.00 C ATOM 793 CG PRO A 54 10.942 -16.760 -27.016 1.00 0.00 C ATOM 794 CD PRO A 54 10.318 -17.788 -26.113 1.00 0.00 C ATOM 0 HA PRO A 54 11.951 -19.692 -28.194 1.00 0.00 H new ATOM 0 HB2 PRO A 54 12.391 -16.977 -28.579 1.00 0.00 H new ATOM 0 HB3 PRO A 54 10.832 -17.692 -28.942 1.00 0.00 H new ATOM 0 HG2 PRO A 54 11.695 -16.178 -26.484 1.00 0.00 H new ATOM 0 HG3 PRO A 54 10.194 -16.056 -27.381 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.361 -17.483 -25.067 1.00 0.00 H new ATOM 0 HD3 PRO A 54 9.268 -17.951 -26.355 1.00 0.00 H new ATOM 802 N ASN A 55 13.778 -17.888 -26.154 1.00 0.00 N ATOM 803 CA ASN A 55 15.146 -17.713 -25.678 1.00 0.00 C ATOM 804 C ASN A 55 15.372 -18.479 -24.379 1.00 0.00 C ATOM 805 O ASN A 55 16.503 -18.878 -24.104 1.00 0.00 O ATOM 806 CB ASN A 55 15.448 -16.228 -25.467 1.00 0.00 C ATOM 807 CG ASN A 55 15.034 -15.744 -24.091 1.00 0.00 C ATOM 808 OD1 ASN A 55 15.755 -15.935 -23.111 1.00 0.00 O ATOM 809 ND2 ASN A 55 13.868 -15.114 -24.012 1.00 0.00 N ATOM 0 H ASN A 55 13.091 -17.294 -25.690 1.00 0.00 H new ATOM 0 HA ASN A 55 15.822 -18.111 -26.435 1.00 0.00 H new ATOM 0 HB2 ASN A 55 16.515 -16.054 -25.605 1.00 0.00 H new ATOM 0 HB3 ASN A 55 14.929 -15.643 -26.226 1.00 0.00 H new ATOM 0 HD21 ASN A 55 13.536 -14.766 -23.112 1.00 0.00 H new ATOM 0 HD22 ASN A 55 13.304 -14.978 -24.851 1.00 0.00 H new TER 816 ASN A 55 HETATM 817 ZN ZN A 181 -10.925 -10.903 -8.639 1.00 0.00 ZN