USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 627 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 49 CYS SG : rot 112:sc= -11.4! USER MOD Set 1.2: A 78 CYS SG : rot 163:sc= -10.8! USER MOD Set 2.1: A 47 HIS : no HD1:sc= -0.0467 X(o=-0.62,f=-0.75) USER MOD Set 2.2: A 50 GLN : amide:sc= -0.577! C(o=-0.62!,f=-2.5!) USER MOD Single : A 1 LEU N :NH3+ -110:sc= 0.11 (180deg=-0.00309) USER MOD Single : A 5 THR OG1 : rot -140:sc= -0.69 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HE2:sc= 0.188 K(o=0.19,f=-0.98) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 1:sc= 0.276 USER MOD Single : A 19 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0357) USER MOD Single : A 23 LYS NZ :NH3+ -167:sc= -0.0347 (180deg=-0.282) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 50:sc= -0.712! USER MOD Single : A 35 GLN : amide:sc= -0.0137 K(o=-0.014,f=-1.3) USER MOD Single : A 36 LYS NZ :NH3+ -116:sc= -0.649 (180deg=-2.37!) USER MOD Single : A 37 THR OG1 : rot 90:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0301 USER MOD Single : A 43 THR OG1 : rot -98:sc= 0.974 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.0299 USER MOD Single : A 52 LYS NZ :NH3+ 160:sc= 1.14 (180deg=0.839) USER MOD Single : A 55 HIS : no HD1:sc= -1.47 K(o=-1.5,f=0.35) USER MOD Single : A 58 SER OG : rot -175:sc= -1.17 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -8.55! C(o=-8.6!,f=-12!) USER MOD Single : A 74 LYS NZ :NH3+ 164:sc= -0.0253 (180deg=-0.29) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -117:sc= -0.368 (180deg=-1.77) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -18.099 3.990 -3.224 1.00 0.00 N ATOM 2 CA LEU A 1 -16.764 4.204 -2.631 1.00 0.00 C ATOM 3 C LEU A 1 -15.952 5.156 -3.489 1.00 0.00 C ATOM 4 O LEU A 1 -16.346 5.470 -4.613 1.00 0.00 O ATOM 5 CB LEU A 1 -16.017 2.873 -2.498 1.00 0.00 C ATOM 6 CG LEU A 1 -16.522 1.945 -1.407 1.00 0.00 C ATOM 7 CD1 LEU A 1 -15.818 0.601 -1.485 1.00 0.00 C ATOM 8 CD2 LEU A 1 -16.329 2.570 -0.033 1.00 0.00 C ATOM 0 H1 LEU A 1 -18.820 4.447 -2.630 1.00 0.00 H new ATOM 0 H2 LEU A 1 -18.125 4.402 -4.179 1.00 0.00 H new ATOM 0 H3 LEU A 1 -18.294 2.970 -3.282 1.00 0.00 H new ATOM 0 HA LEU A 1 -16.897 4.639 -1.640 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -16.073 2.348 -3.452 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -14.964 3.085 -2.312 1.00 0.00 H new ATOM 0 HG LEU A 1 -17.589 1.786 -1.561 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -16.192 -0.052 -0.696 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -16.012 0.145 -2.456 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -14.745 0.745 -1.359 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -16.698 1.887 0.732 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -15.269 2.763 0.133 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -16.881 3.508 0.021 1.00 0.00 H new ATOM 22 N PRO A 2 -14.822 5.651 -2.963 1.00 0.00 N ATOM 23 CA PRO A 2 -13.896 6.484 -3.728 1.00 0.00 C ATOM 24 C PRO A 2 -13.378 5.779 -4.979 1.00 0.00 C ATOM 25 O PRO A 2 -13.477 4.555 -5.097 1.00 0.00 O ATOM 26 CB PRO A 2 -12.753 6.744 -2.745 1.00 0.00 C ATOM 27 CG PRO A 2 -13.378 6.582 -1.404 1.00 0.00 C ATOM 28 CD PRO A 2 -14.372 5.474 -1.572 1.00 0.00 C ATOM 0 HA PRO A 2 -14.374 7.393 -4.093 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -11.935 6.039 -2.891 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -12.338 7.744 -2.873 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -12.633 6.333 -0.649 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -13.864 7.503 -1.081 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -13.918 4.496 -1.415 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -15.197 5.560 -0.865 1.00 0.00 H new ATOM 36 N ARG A 3 -12.815 6.558 -5.885 1.00 0.00 N ATOM 37 CA ARG A 3 -12.435 6.094 -7.221 1.00 0.00 C ATOM 38 C ARG A 3 -11.655 4.774 -7.206 1.00 0.00 C ATOM 39 O ARG A 3 -11.973 3.849 -7.954 1.00 0.00 O ATOM 40 CB ARG A 3 -11.601 7.176 -7.902 1.00 0.00 C ATOM 41 CG ARG A 3 -11.148 6.821 -9.303 1.00 0.00 C ATOM 42 CD ARG A 3 -10.238 7.893 -9.867 1.00 0.00 C ATOM 43 NE ARG A 3 -10.888 9.203 -9.890 1.00 0.00 N ATOM 44 CZ ARG A 3 -10.236 10.353 -10.049 1.00 0.00 C ATOM 45 NH1 ARG A 3 -8.919 10.360 -10.204 1.00 0.00 N ATOM 46 NH2 ARG A 3 -10.905 11.500 -10.047 1.00 0.00 N ATOM 0 H ARG A 3 -12.604 7.542 -5.719 1.00 0.00 H new ATOM 0 HA ARG A 3 -13.356 5.903 -7.772 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -12.184 8.096 -7.943 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -10.723 7.382 -7.290 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -10.624 5.865 -9.289 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -12.017 6.699 -9.950 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -9.329 7.949 -9.268 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -9.937 7.619 -10.878 1.00 0.00 H new ATOM 0 HE ARG A 3 -11.901 9.238 -9.778 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -8.401 9.482 -10.202 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -8.424 11.244 -10.325 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -11.918 11.500 -9.924 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -10.406 12.381 -10.169 1.00 0.00 H new ATOM 60 N ASP A 4 -10.650 4.692 -6.351 1.00 0.00 N ATOM 61 CA ASP A 4 -9.699 3.584 -6.392 1.00 0.00 C ATOM 62 C ASP A 4 -9.818 2.672 -5.179 1.00 0.00 C ATOM 63 O ASP A 4 -8.962 1.820 -4.970 1.00 0.00 O ATOM 64 CB ASP A 4 -8.271 4.121 -6.481 1.00 0.00 C ATOM 65 CG ASP A 4 -8.046 4.961 -7.720 1.00 0.00 C ATOM 66 OD1 ASP A 4 -7.853 4.379 -8.809 1.00 0.00 O ATOM 67 OD2 ASP A 4 -8.063 6.203 -7.605 1.00 0.00 O ATOM 0 H ASP A 4 -10.468 5.378 -5.618 1.00 0.00 H new ATOM 0 HA ASP A 4 -9.936 2.994 -7.277 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -8.055 4.719 -5.596 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -7.571 3.286 -6.480 1.00 0.00 H new ATOM 72 N THR A 5 -10.861 2.835 -4.379 1.00 0.00 N ATOM 73 CA THR A 5 -11.006 2.024 -3.174 1.00 0.00 C ATOM 74 C THR A 5 -11.346 0.574 -3.511 1.00 0.00 C ATOM 75 O THR A 5 -10.653 -0.349 -3.081 1.00 0.00 O ATOM 76 CB THR A 5 -12.068 2.594 -2.219 1.00 0.00 C ATOM 77 OG1 THR A 5 -11.681 3.908 -1.796 1.00 0.00 O ATOM 78 CG2 THR A 5 -12.227 1.697 -1.004 1.00 0.00 C ATOM 0 H THR A 5 -11.610 3.509 -4.536 1.00 0.00 H new ATOM 0 HA THR A 5 -10.040 2.052 -2.669 1.00 0.00 H new ATOM 0 HB THR A 5 -13.020 2.644 -2.747 1.00 0.00 H new ATOM 0 HG1 THR A 5 -11.892 4.021 -0.846 1.00 0.00 H new ATOM 0 HG21 THR A 5 -12.982 2.116 -0.339 1.00 0.00 H new ATOM 0 HG22 THR A 5 -12.537 0.702 -1.324 1.00 0.00 H new ATOM 0 HG23 THR A 5 -11.276 1.628 -0.475 1.00 0.00 H new ATOM 86 N SER A 6 -12.394 0.381 -4.302 1.00 0.00 N ATOM 87 CA SER A 6 -12.813 -0.953 -4.712 1.00 0.00 C ATOM 88 C SER A 6 -11.724 -1.603 -5.556 1.00 0.00 C ATOM 89 O SER A 6 -11.627 -2.825 -5.652 1.00 0.00 O ATOM 90 CB SER A 6 -14.117 -0.867 -5.498 1.00 0.00 C ATOM 91 OG SER A 6 -14.573 -2.151 -5.902 1.00 0.00 O ATOM 0 H SER A 6 -12.971 1.135 -4.674 1.00 0.00 H new ATOM 0 HA SER A 6 -12.979 -1.566 -3.826 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.880 -0.386 -4.886 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.971 -0.239 -6.377 1.00 0.00 H new ATOM 0 HG SER A 6 -15.411 -2.058 -6.402 1.00 0.00 H new ATOM 97 N ARG A 7 -10.918 -0.760 -6.166 1.00 0.00 N ATOM 98 CA ARG A 7 -9.761 -1.196 -6.918 1.00 0.00 C ATOM 99 C ARG A 7 -8.654 -1.657 -5.974 1.00 0.00 C ATOM 100 O ARG A 7 -8.190 -2.795 -6.043 1.00 0.00 O ATOM 101 CB ARG A 7 -9.268 -0.027 -7.773 1.00 0.00 C ATOM 102 CG ARG A 7 -7.859 -0.193 -8.304 1.00 0.00 C ATOM 103 CD ARG A 7 -7.132 1.139 -8.318 1.00 0.00 C ATOM 104 NE ARG A 7 -5.769 1.006 -8.812 1.00 0.00 N ATOM 105 CZ ARG A 7 -4.978 2.028 -9.136 1.00 0.00 C ATOM 106 NH1 ARG A 7 -5.428 3.277 -9.081 1.00 0.00 N ATOM 107 NH2 ARG A 7 -3.737 1.797 -9.544 1.00 0.00 N ATOM 0 H ARG A 7 -11.048 0.252 -6.154 1.00 0.00 H new ATOM 0 HA ARG A 7 -10.034 -2.037 -7.556 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -9.948 0.104 -8.615 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -9.315 0.887 -7.180 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -7.313 -0.905 -7.685 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -7.891 -0.606 -9.312 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -7.678 1.845 -8.944 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -7.114 1.554 -7.310 1.00 0.00 H new ATOM 0 HE ARG A 7 -5.393 0.064 -8.918 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -6.388 3.461 -8.788 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -4.814 4.052 -9.331 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -3.391 0.840 -9.609 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -3.129 2.577 -9.793 1.00 0.00 H new ATOM 121 N CYS A 8 -8.271 -0.772 -5.071 1.00 0.00 N ATOM 122 CA CYS A 8 -7.109 -0.976 -4.225 1.00 0.00 C ATOM 123 C CYS A 8 -7.311 -2.136 -3.265 1.00 0.00 C ATOM 124 O CYS A 8 -6.392 -2.916 -3.041 1.00 0.00 O ATOM 125 CB CYS A 8 -6.829 0.289 -3.434 1.00 0.00 C ATOM 126 SG CYS A 8 -5.055 0.680 -3.258 1.00 0.00 S ATOM 0 H CYS A 8 -8.757 0.109 -4.904 1.00 0.00 H new ATOM 0 HA CYS A 8 -6.263 -1.214 -4.869 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -7.328 1.127 -3.920 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -7.268 0.189 -2.441 1.00 0.00 H new ATOM 131 N VAL A 9 -8.524 -2.252 -2.728 1.00 0.00 N ATOM 132 CA VAL A 9 -8.834 -3.243 -1.698 1.00 0.00 C ATOM 133 C VAL A 9 -8.408 -4.655 -2.106 1.00 0.00 C ATOM 134 O VAL A 9 -7.986 -5.455 -1.263 1.00 0.00 O ATOM 135 CB VAL A 9 -10.342 -3.219 -1.344 1.00 0.00 C ATOM 136 CG1 VAL A 9 -11.194 -3.521 -2.564 1.00 0.00 C ATOM 137 CG2 VAL A 9 -10.654 -4.188 -0.214 1.00 0.00 C ATOM 0 H VAL A 9 -9.316 -1.666 -2.992 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.259 -2.969 -0.814 1.00 0.00 H new ATOM 0 HB VAL A 9 -10.587 -2.213 -1.003 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -12.248 -3.498 -2.287 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.005 -2.773 -3.334 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.942 -4.509 -2.948 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -11.719 -4.150 0.014 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -10.383 -5.199 -0.517 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -10.084 -3.909 0.672 1.00 0.00 H new ATOM 147 N GLY A 10 -8.485 -4.953 -3.395 1.00 0.00 N ATOM 148 CA GLY A 10 -8.086 -6.259 -3.867 1.00 0.00 C ATOM 149 C GLY A 10 -6.613 -6.322 -4.214 1.00 0.00 C ATOM 150 O GLY A 10 -5.993 -7.379 -4.121 1.00 0.00 O ATOM 0 H GLY A 10 -8.816 -4.315 -4.119 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -8.308 -7.003 -3.102 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -8.675 -6.520 -4.746 1.00 0.00 H new ATOM 154 N TYR A 11 -6.050 -5.186 -4.607 1.00 0.00 N ATOM 155 CA TYR A 11 -4.678 -5.143 -5.088 1.00 0.00 C ATOM 156 C TYR A 11 -3.691 -4.826 -3.973 1.00 0.00 C ATOM 157 O TYR A 11 -2.812 -5.624 -3.653 1.00 0.00 O ATOM 158 CB TYR A 11 -4.544 -4.099 -6.191 1.00 0.00 C ATOM 159 CG TYR A 11 -5.410 -4.379 -7.391 1.00 0.00 C ATOM 160 CD1 TYR A 11 -5.614 -5.676 -7.834 1.00 0.00 C ATOM 161 CD2 TYR A 11 -6.031 -3.346 -8.076 1.00 0.00 C ATOM 162 CE1 TYR A 11 -6.412 -5.939 -8.924 1.00 0.00 C ATOM 163 CE2 TYR A 11 -6.832 -3.597 -9.169 1.00 0.00 C ATOM 164 CZ TYR A 11 -7.021 -4.896 -9.590 1.00 0.00 C ATOM 165 OH TYR A 11 -7.823 -5.152 -10.678 1.00 0.00 O ATOM 0 H TYR A 11 -6.524 -4.283 -4.601 1.00 0.00 H new ATOM 0 HA TYR A 11 -4.441 -6.133 -5.477 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -4.802 -3.120 -5.787 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -3.502 -4.049 -6.508 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -5.138 -6.495 -7.315 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -5.885 -2.328 -7.748 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -6.560 -6.956 -9.256 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -7.309 -2.781 -9.692 1.00 0.00 H new ATOM 0 HH TYR A 11 -8.175 -4.308 -11.030 1.00 0.00 H new ATOM 175 N HIS A 12 -3.846 -3.646 -3.386 1.00 0.00 N ATOM 176 CA HIS A 12 -2.856 -3.114 -2.460 1.00 0.00 C ATOM 177 C HIS A 12 -3.456 -2.975 -1.064 1.00 0.00 C ATOM 178 O HIS A 12 -2.873 -2.340 -0.187 1.00 0.00 O ATOM 179 CB HIS A 12 -2.339 -1.748 -2.943 1.00 0.00 C ATOM 180 CG HIS A 12 -2.084 -1.660 -4.420 1.00 0.00 C ATOM 181 ND1 HIS A 12 -2.615 -0.664 -5.215 1.00 0.00 N ATOM 182 CD2 HIS A 12 -1.340 -2.436 -5.245 1.00 0.00 C ATOM 183 CE1 HIS A 12 -2.211 -0.833 -6.460 1.00 0.00 C ATOM 184 NE2 HIS A 12 -1.437 -1.899 -6.504 1.00 0.00 N ATOM 0 H HIS A 12 -4.651 -3.038 -3.536 1.00 0.00 H new ATOM 0 HA HIS A 12 -2.019 -3.811 -2.420 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -3.064 -0.982 -2.667 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -1.414 -1.517 -2.414 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -3.225 0.086 -4.890 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -0.776 -3.313 -4.964 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -2.470 -0.205 -7.300 1.00 0.00 H new ATOM 193 N GLY A 13 -4.622 -3.582 -0.870 1.00 0.00 N ATOM 194 CA GLY A 13 -5.256 -3.594 0.435 1.00 0.00 C ATOM 195 C GLY A 13 -6.383 -2.592 0.569 1.00 0.00 C ATOM 196 O GLY A 13 -6.606 -1.772 -0.316 1.00 0.00 O ATOM 0 H GLY A 13 -5.142 -4.069 -1.599 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -5.644 -4.593 0.632 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -4.504 -3.387 1.197 1.00 0.00 H new ATOM 200 N TYR A 14 -7.095 -2.666 1.688 1.00 0.00 N ATOM 201 CA TYR A 14 -8.290 -1.858 1.898 1.00 0.00 C ATOM 202 C TYR A 14 -7.933 -0.417 2.237 1.00 0.00 C ATOM 203 O TYR A 14 -6.769 -0.088 2.451 1.00 0.00 O ATOM 204 CB TYR A 14 -9.169 -2.467 2.996 1.00 0.00 C ATOM 205 CG TYR A 14 -8.453 -2.712 4.306 1.00 0.00 C ATOM 206 CD1 TYR A 14 -7.916 -3.957 4.599 1.00 0.00 C ATOM 207 CD2 TYR A 14 -8.322 -1.702 5.249 1.00 0.00 C ATOM 208 CE1 TYR A 14 -7.270 -4.189 5.794 1.00 0.00 C ATOM 209 CE2 TYR A 14 -7.674 -1.927 6.449 1.00 0.00 C ATOM 210 CZ TYR A 14 -7.152 -3.175 6.715 1.00 0.00 C ATOM 211 OH TYR A 14 -6.504 -3.413 7.906 1.00 0.00 O ATOM 0 H TYR A 14 -6.863 -3.281 2.468 1.00 0.00 H new ATOM 0 HA TYR A 14 -8.854 -1.852 0.965 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -10.015 -1.804 3.177 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -9.576 -3.412 2.636 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -8.006 -4.757 3.879 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -8.733 -0.725 5.042 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -6.858 -5.164 6.006 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -7.577 -1.131 7.173 1.00 0.00 H new ATOM 0 HH TYR A 14 -6.504 -2.596 8.447 1.00 0.00 H new ATOM 221 N CYS A 15 -8.946 0.429 2.326 1.00 0.00 N ATOM 222 CA CYS A 15 -8.725 1.859 2.403 1.00 0.00 C ATOM 223 C CYS A 15 -9.292 2.456 3.679 1.00 0.00 C ATOM 224 O CYS A 15 -10.452 2.874 3.728 1.00 0.00 O ATOM 225 CB CYS A 15 -9.361 2.527 1.192 1.00 0.00 C ATOM 226 SG CYS A 15 -8.828 1.804 -0.392 1.00 0.00 S ATOM 0 H CYS A 15 -9.927 0.149 2.347 1.00 0.00 H new ATOM 0 HA CYS A 15 -7.649 2.036 2.413 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -10.445 2.451 1.272 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -9.114 3.589 1.200 1.00 0.00 H new ATOM 231 N ILE A 16 -8.477 2.483 4.715 1.00 0.00 N ATOM 232 CA ILE A 16 -8.829 3.177 5.941 1.00 0.00 C ATOM 233 C ILE A 16 -8.276 4.592 5.875 1.00 0.00 C ATOM 234 O ILE A 16 -7.457 4.899 5.017 1.00 0.00 O ATOM 235 CB ILE A 16 -8.319 2.442 7.196 1.00 0.00 C ATOM 236 CG1 ILE A 16 -6.813 2.202 7.111 1.00 0.00 C ATOM 237 CG2 ILE A 16 -9.074 1.133 7.369 1.00 0.00 C ATOM 238 CD1 ILE A 16 -6.253 1.421 8.282 1.00 0.00 C ATOM 0 H ILE A 16 -7.563 2.031 4.733 1.00 0.00 H new ATOM 0 HA ILE A 16 -9.915 3.205 6.026 1.00 0.00 H new ATOM 0 HB ILE A 16 -8.502 3.067 8.070 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -6.591 1.665 6.189 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -6.304 3.164 7.051 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -8.710 0.617 8.258 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.139 1.339 7.480 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -8.916 0.503 6.494 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -5.179 1.290 8.152 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -6.442 1.966 9.207 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -6.734 0.444 8.331 1.00 0.00 H new ATOM 250 N ARG A 17 -8.712 5.449 6.775 1.00 0.00 N ATOM 251 CA ARG A 17 -8.444 6.876 6.643 1.00 0.00 C ATOM 252 C ARG A 17 -7.108 7.260 7.286 1.00 0.00 C ATOM 253 O ARG A 17 -6.694 8.420 7.245 1.00 0.00 O ATOM 254 CB ARG A 17 -9.582 7.681 7.275 1.00 0.00 C ATOM 255 CG ARG A 17 -9.503 9.174 7.003 1.00 0.00 C ATOM 256 CD ARG A 17 -10.630 9.926 7.682 1.00 0.00 C ATOM 257 NE ARG A 17 -11.938 9.440 7.255 1.00 0.00 N ATOM 258 CZ ARG A 17 -12.996 10.221 7.052 1.00 0.00 C ATOM 259 NH1 ARG A 17 -12.917 11.530 7.267 1.00 0.00 N ATOM 260 NH2 ARG A 17 -14.136 9.686 6.641 1.00 0.00 N ATOM 0 H ARG A 17 -9.250 5.190 7.602 1.00 0.00 H new ATOM 0 HA ARG A 17 -8.381 7.109 5.580 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -10.533 7.303 6.901 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -9.576 7.517 8.353 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -8.545 9.558 7.354 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -9.543 9.351 5.928 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -10.538 9.821 8.763 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -10.546 10.989 7.457 1.00 0.00 H new ATOM 0 HE ARG A 17 -12.048 8.438 7.102 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -12.041 11.942 7.590 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -13.732 12.123 7.109 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -14.199 8.680 6.482 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -14.950 10.280 6.484 1.00 0.00 H new ATOM 274 N SER A 18 -6.438 6.295 7.892 1.00 0.00 N ATOM 275 CA SER A 18 -5.177 6.559 8.562 1.00 0.00 C ATOM 276 C SER A 18 -4.279 5.326 8.532 1.00 0.00 C ATOM 277 O SER A 18 -4.726 4.231 8.211 1.00 0.00 O ATOM 278 CB SER A 18 -5.444 7.009 9.998 1.00 0.00 C ATOM 279 OG SER A 18 -6.118 8.257 10.015 1.00 0.00 O ATOM 0 H SER A 18 -6.746 5.323 7.934 1.00 0.00 H new ATOM 0 HA SER A 18 -4.655 7.358 8.035 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.044 6.259 10.514 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.502 7.091 10.540 1.00 0.00 H new ATOM 0 HG SER A 18 -6.274 8.557 9.095 1.00 0.00 H new ATOM 285 N LYS A 19 -3.014 5.521 8.891 1.00 0.00 N ATOM 286 CA LYS A 19 -1.981 4.496 8.777 1.00 0.00 C ATOM 287 C LYS A 19 -2.059 3.510 9.925 1.00 0.00 C ATOM 288 O LYS A 19 -1.087 2.833 10.258 1.00 0.00 O ATOM 289 CB LYS A 19 -0.605 5.151 8.767 1.00 0.00 C ATOM 290 CG LYS A 19 -0.355 6.063 7.579 1.00 0.00 C ATOM 291 CD LYS A 19 -1.281 7.270 7.543 1.00 0.00 C ATOM 292 CE LYS A 19 -1.102 8.072 6.271 1.00 0.00 C ATOM 293 NZ LYS A 19 0.240 8.701 6.197 1.00 0.00 N ATOM 0 H LYS A 19 -2.673 6.403 9.273 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.143 3.955 7.845 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.483 5.727 9.684 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.156 4.371 8.777 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.679 6.407 7.605 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -0.478 5.492 6.659 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.316 6.938 7.622 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.084 7.906 8.406 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.246 7.421 5.408 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -1.869 8.845 6.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.287 9.322 5.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.408 9.262 7.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.966 7.961 6.119 1.00 0.00 H new ATOM 307 N VAL A 20 -3.229 3.452 10.513 1.00 0.00 N ATOM 308 CA VAL A 20 -3.521 2.588 11.662 1.00 0.00 C ATOM 309 C VAL A 20 -3.585 1.108 11.255 1.00 0.00 C ATOM 310 O VAL A 20 -4.376 0.334 11.798 1.00 0.00 O ATOM 311 CB VAL A 20 -4.855 2.987 12.335 1.00 0.00 C ATOM 312 CG1 VAL A 20 -4.920 2.464 13.764 1.00 0.00 C ATOM 313 CG2 VAL A 20 -5.050 4.493 12.305 1.00 0.00 C ATOM 0 H VAL A 20 -4.028 4.009 10.211 1.00 0.00 H new ATOM 0 HA VAL A 20 -2.705 2.723 12.372 1.00 0.00 H new ATOM 0 HB VAL A 20 -5.666 2.529 11.768 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.867 2.757 14.216 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.842 1.377 13.757 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.097 2.883 14.343 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.995 4.747 12.784 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.231 4.977 12.838 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.063 4.838 11.271 1.00 0.00 H new ATOM 323 N CYS A 21 -2.778 0.723 10.281 1.00 0.00 N ATOM 324 CA CYS A 21 -2.775 -0.636 9.776 1.00 0.00 C ATOM 325 C CYS A 21 -2.371 -1.628 10.865 1.00 0.00 C ATOM 326 O CYS A 21 -1.365 -1.438 11.552 1.00 0.00 O ATOM 327 CB CYS A 21 -1.812 -0.727 8.600 1.00 0.00 C ATOM 328 SG CYS A 21 -2.111 0.541 7.328 1.00 0.00 S ATOM 0 H CYS A 21 -2.110 1.342 9.821 1.00 0.00 H new ATOM 0 HA CYS A 21 -3.783 -0.893 9.451 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -0.790 -0.630 8.967 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -1.895 -1.714 8.146 1.00 0.00 H new ATOM 333 N PRO A 22 -3.177 -2.683 11.054 1.00 0.00 N ATOM 334 CA PRO A 22 -2.864 -3.773 11.982 1.00 0.00 C ATOM 335 C PRO A 22 -1.773 -4.673 11.413 1.00 0.00 C ATOM 336 O PRO A 22 -1.196 -4.367 10.378 1.00 0.00 O ATOM 337 CB PRO A 22 -4.187 -4.528 12.095 1.00 0.00 C ATOM 338 CG PRO A 22 -4.878 -4.278 10.803 1.00 0.00 C ATOM 339 CD PRO A 22 -4.469 -2.896 10.370 1.00 0.00 C ATOM 0 HA PRO A 22 -2.489 -3.422 12.943 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -4.022 -5.593 12.256 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -4.778 -4.166 12.936 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -4.591 -5.020 10.058 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -5.960 -4.345 10.920 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -4.364 -2.830 9.287 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -5.206 -2.149 10.665 1.00 0.00 H new ATOM 347 N LYS A 23 -1.458 -5.759 12.095 1.00 0.00 N ATOM 348 CA LYS A 23 -0.448 -6.685 11.600 1.00 0.00 C ATOM 349 C LYS A 23 -1.060 -8.036 11.245 1.00 0.00 C ATOM 350 O LYS A 23 -1.957 -8.518 11.942 1.00 0.00 O ATOM 351 CB LYS A 23 0.676 -6.883 12.626 1.00 0.00 C ATOM 352 CG LYS A 23 1.736 -5.790 12.622 1.00 0.00 C ATOM 353 CD LYS A 23 1.215 -4.480 13.185 1.00 0.00 C ATOM 354 CE LYS A 23 2.273 -3.391 13.122 1.00 0.00 C ATOM 355 NZ LYS A 23 3.504 -3.762 13.869 1.00 0.00 N ATOM 0 H LYS A 23 -1.881 -6.023 12.985 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.026 -6.243 10.697 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.236 -6.941 13.621 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.160 -7.841 12.435 1.00 0.00 H new ATOM 0 HG2 LYS A 23 2.595 -6.118 13.207 1.00 0.00 H new ATOM 0 HG3 LYS A 23 2.087 -5.631 11.602 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.334 -4.166 12.625 1.00 0.00 H new ATOM 0 HD3 LYS A 23 0.901 -4.625 14.219 1.00 0.00 H new ATOM 0 HE2 LYS A 23 2.527 -3.193 12.081 1.00 0.00 H new ATOM 0 HE3 LYS A 23 1.866 -2.467 13.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.104 -2.921 13.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.243 -4.137 14.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.026 -4.488 13.338 1.00 0.00 H new ATOM 369 N PRO A 24 -0.579 -8.670 10.160 1.00 0.00 N ATOM 370 CA PRO A 24 0.387 -8.061 9.243 1.00 0.00 C ATOM 371 C PRO A 24 -0.271 -7.201 8.165 1.00 0.00 C ATOM 372 O PRO A 24 -0.816 -7.726 7.196 1.00 0.00 O ATOM 373 CB PRO A 24 1.037 -9.273 8.596 1.00 0.00 C ATOM 374 CG PRO A 24 -0.034 -10.311 8.566 1.00 0.00 C ATOM 375 CD PRO A 24 -0.942 -10.036 9.740 1.00 0.00 C ATOM 0 HA PRO A 24 1.070 -7.390 9.764 1.00 0.00 H new ATOM 0 HB2 PRO A 24 1.392 -9.042 7.592 1.00 0.00 H new ATOM 0 HB3 PRO A 24 1.900 -9.612 9.169 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -0.589 -10.266 7.629 1.00 0.00 H new ATOM 0 HG3 PRO A 24 0.395 -11.311 8.635 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -1.992 -10.100 9.456 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.785 -10.756 10.543 1.00 0.00 H new ATOM 383 N PHE A 25 -0.190 -5.892 8.306 1.00 0.00 N ATOM 384 CA PHE A 25 -0.715 -4.980 7.300 1.00 0.00 C ATOM 385 C PHE A 25 0.169 -3.751 7.222 1.00 0.00 C ATOM 386 O PHE A 25 0.657 -3.258 8.242 1.00 0.00 O ATOM 387 CB PHE A 25 -2.167 -4.565 7.602 1.00 0.00 C ATOM 388 CG PHE A 25 -3.173 -5.662 7.409 1.00 0.00 C ATOM 389 CD1 PHE A 25 -3.259 -6.708 8.313 1.00 0.00 C ATOM 390 CD2 PHE A 25 -4.030 -5.646 6.325 1.00 0.00 C ATOM 391 CE1 PHE A 25 -4.177 -7.719 8.135 1.00 0.00 C ATOM 392 CE2 PHE A 25 -4.951 -6.655 6.142 1.00 0.00 C ATOM 393 CZ PHE A 25 -5.021 -7.692 7.046 1.00 0.00 C ATOM 0 H PHE A 25 0.236 -5.432 9.110 1.00 0.00 H new ATOM 0 HA PHE A 25 -0.716 -5.500 6.342 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -2.225 -4.211 8.631 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -2.434 -3.725 6.960 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -2.599 -6.731 9.167 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -3.978 -4.835 5.614 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -4.235 -8.530 8.846 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -5.616 -6.633 5.292 1.00 0.00 H new ATOM 0 HZ PHE A 25 -5.739 -8.486 6.901 1.00 0.00 H new ATOM 403 N ALA A 26 0.387 -3.270 6.017 1.00 0.00 N ATOM 404 CA ALA A 26 1.246 -2.118 5.816 1.00 0.00 C ATOM 405 C ALA A 26 0.478 -0.959 5.218 1.00 0.00 C ATOM 406 O ALA A 26 -0.362 -1.150 4.330 1.00 0.00 O ATOM 407 CB ALA A 26 2.427 -2.475 4.927 1.00 0.00 C ATOM 0 H ALA A 26 -0.016 -3.656 5.163 1.00 0.00 H new ATOM 0 HA ALA A 26 1.621 -1.813 6.793 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.058 -1.597 4.790 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.008 -3.269 5.396 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.063 -2.815 3.958 1.00 0.00 H new ATOM 413 N ALA A 27 0.743 0.232 5.743 1.00 0.00 N ATOM 414 CA ALA A 27 0.247 1.462 5.163 1.00 0.00 C ATOM 415 C ALA A 27 0.891 1.686 3.805 1.00 0.00 C ATOM 416 O ALA A 27 1.937 2.328 3.694 1.00 0.00 O ATOM 417 CB ALA A 27 0.550 2.626 6.094 1.00 0.00 C ATOM 0 H ALA A 27 1.308 0.366 6.582 1.00 0.00 H new ATOM 0 HA ALA A 27 -0.833 1.392 5.030 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.175 3.550 5.655 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.065 2.459 7.056 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.627 2.704 6.240 1.00 0.00 H new ATOM 423 N PHE A 28 0.265 1.156 2.775 1.00 0.00 N ATOM 424 CA PHE A 28 0.812 1.231 1.442 1.00 0.00 C ATOM 425 C PHE A 28 0.282 2.451 0.715 1.00 0.00 C ATOM 426 O PHE A 28 -0.746 2.399 0.037 1.00 0.00 O ATOM 427 CB PHE A 28 0.506 -0.055 0.669 1.00 0.00 C ATOM 428 CG PHE A 28 1.676 -0.980 0.589 1.00 0.00 C ATOM 429 CD1 PHE A 28 2.912 -0.520 0.172 1.00 0.00 C ATOM 430 CD2 PHE A 28 1.539 -2.309 0.933 1.00 0.00 C ATOM 431 CE1 PHE A 28 3.991 -1.374 0.100 1.00 0.00 C ATOM 432 CE2 PHE A 28 2.612 -3.169 0.861 1.00 0.00 C ATOM 433 CZ PHE A 28 3.841 -2.700 0.445 1.00 0.00 C ATOM 0 H PHE A 28 -0.628 0.667 2.839 1.00 0.00 H new ATOM 0 HA PHE A 28 1.895 1.332 1.513 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -0.326 -0.571 1.148 1.00 0.00 H new ATOM 0 HB3 PHE A 28 0.183 0.202 -0.340 1.00 0.00 H new ATOM 0 HD1 PHE A 28 3.033 0.518 -0.100 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.579 -2.679 1.262 1.00 0.00 H new ATOM 0 HE1 PHE A 28 4.952 -1.005 -0.226 1.00 0.00 H new ATOM 0 HE2 PHE A 28 2.492 -4.208 1.130 1.00 0.00 H new ATOM 0 HZ PHE A 28 4.685 -3.371 0.390 1.00 0.00 H new ATOM 443 N GLY A 29 0.998 3.554 0.883 1.00 0.00 N ATOM 444 CA GLY A 29 0.653 4.791 0.215 1.00 0.00 C ATOM 445 C GLY A 29 -0.766 5.216 0.497 1.00 0.00 C ATOM 446 O GLY A 29 -1.214 5.192 1.642 1.00 0.00 O ATOM 0 H GLY A 29 1.823 3.612 1.479 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.336 5.577 0.536 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.787 4.671 -0.860 1.00 0.00 H new ATOM 450 N THR A 30 -1.468 5.605 -0.547 1.00 0.00 N ATOM 451 CA THR A 30 -2.868 5.959 -0.441 1.00 0.00 C ATOM 452 C THR A 30 -3.636 5.297 -1.583 1.00 0.00 C ATOM 453 O THR A 30 -3.056 5.045 -2.640 1.00 0.00 O ATOM 454 CB THR A 30 -3.048 7.493 -0.483 1.00 0.00 C ATOM 455 OG1 THR A 30 -2.517 8.018 -1.707 1.00 0.00 O ATOM 456 CG2 THR A 30 -2.335 8.149 0.698 1.00 0.00 C ATOM 0 H THR A 30 -1.086 5.685 -1.489 1.00 0.00 H new ATOM 0 HA THR A 30 -3.259 5.605 0.513 1.00 0.00 H new ATOM 0 HB THR A 30 -4.114 7.713 -0.423 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.637 8.990 -1.725 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.473 9.229 0.652 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.752 7.770 1.631 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.271 7.917 0.655 1.00 0.00 H new ATOM 464 N CYS A 31 -4.908 4.981 -1.386 1.00 0.00 N ATOM 465 CA CYS A 31 -5.663 4.287 -2.430 1.00 0.00 C ATOM 466 C CYS A 31 -6.030 5.228 -3.565 1.00 0.00 C ATOM 467 O CYS A 31 -5.458 5.167 -4.653 1.00 0.00 O ATOM 468 CB CYS A 31 -6.948 3.689 -1.872 1.00 0.00 C ATOM 469 SG CYS A 31 -6.714 2.445 -0.569 1.00 0.00 S ATOM 0 H CYS A 31 -5.433 5.186 -0.536 1.00 0.00 H new ATOM 0 HA CYS A 31 -5.018 3.493 -2.807 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -7.565 4.496 -1.476 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -7.505 3.235 -2.691 1.00 0.00 H new ATOM 474 N SER A 32 -6.986 6.100 -3.292 1.00 0.00 N ATOM 475 CA SER A 32 -7.466 7.042 -4.279 1.00 0.00 C ATOM 476 C SER A 32 -7.080 8.446 -3.852 1.00 0.00 C ATOM 477 O SER A 32 -6.260 9.106 -4.490 1.00 0.00 O ATOM 478 CB SER A 32 -8.984 6.912 -4.420 1.00 0.00 C ATOM 479 OG SER A 32 -9.436 7.430 -5.655 1.00 0.00 O ATOM 0 H SER A 32 -7.446 6.172 -2.385 1.00 0.00 H new ATOM 0 HA SER A 32 -7.015 6.832 -5.249 1.00 0.00 H new ATOM 0 HB2 SER A 32 -9.270 5.863 -4.338 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.473 7.441 -3.602 1.00 0.00 H new ATOM 0 HG SER A 32 -8.895 7.059 -6.383 1.00 0.00 H new ATOM 485 N TRP A 33 -7.677 8.888 -2.753 1.00 0.00 N ATOM 486 CA TRP A 33 -7.335 10.165 -2.160 1.00 0.00 C ATOM 487 C TRP A 33 -6.221 9.940 -1.156 1.00 0.00 C ATOM 488 O TRP A 33 -6.087 8.842 -0.612 1.00 0.00 O ATOM 489 CB TRP A 33 -8.538 10.789 -1.434 1.00 0.00 C ATOM 490 CG TRP A 33 -9.885 10.447 -2.009 1.00 0.00 C ATOM 491 CD1 TRP A 33 -10.995 10.086 -1.302 1.00 0.00 C ATOM 492 CD2 TRP A 33 -10.269 10.427 -3.390 1.00 0.00 C ATOM 493 NE1 TRP A 33 -12.039 9.844 -2.153 1.00 0.00 N ATOM 494 CE2 TRP A 33 -11.621 10.045 -3.437 1.00 0.00 C ATOM 495 CE3 TRP A 33 -9.606 10.694 -4.588 1.00 0.00 C ATOM 496 CZ2 TRP A 33 -12.319 9.922 -4.630 1.00 0.00 C ATOM 497 CZ3 TRP A 33 -10.302 10.571 -5.775 1.00 0.00 C ATOM 498 CH2 TRP A 33 -11.644 10.189 -5.789 1.00 0.00 C ATOM 0 H TRP A 33 -8.404 8.374 -2.255 1.00 0.00 H new ATOM 0 HA TRP A 33 -7.025 10.847 -2.952 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -8.516 10.473 -0.391 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -8.423 11.873 -1.441 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -11.043 10.003 -0.226 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -12.978 9.559 -1.873 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -8.568 10.991 -4.588 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -13.358 9.626 -4.643 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -9.799 10.774 -6.709 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -12.160 10.102 -6.734 1.00 0.00 H new ATOM 509 N ARG A 34 -5.439 10.976 -0.901 1.00 0.00 N ATOM 510 CA ARG A 34 -4.367 10.900 0.080 1.00 0.00 C ATOM 511 C ARG A 34 -4.950 10.719 1.480 1.00 0.00 C ATOM 512 O ARG A 34 -4.277 10.242 2.399 1.00 0.00 O ATOM 513 CB ARG A 34 -3.492 12.153 -0.015 1.00 0.00 C ATOM 514 CG ARG A 34 -2.394 12.236 1.028 1.00 0.00 C ATOM 515 CD ARG A 34 -2.852 12.992 2.266 1.00 0.00 C ATOM 516 NE ARG A 34 -1.784 13.151 3.248 1.00 0.00 N ATOM 517 CZ ARG A 34 -1.741 12.502 4.410 1.00 0.00 C ATOM 518 NH1 ARG A 34 -2.645 11.568 4.687 1.00 0.00 N ATOM 519 NH2 ARG A 34 -0.781 12.771 5.284 1.00 0.00 N ATOM 0 H ARG A 34 -5.526 11.882 -1.361 1.00 0.00 H new ATOM 0 HA ARG A 34 -3.738 10.035 -0.128 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.038 12.189 -1.005 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.129 13.033 0.076 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -2.083 11.230 1.310 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -1.522 12.731 0.600 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.221 13.975 1.972 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.687 12.462 2.724 1.00 0.00 H new ATOM 0 HE ARG A 34 -1.026 13.798 3.031 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.374 11.347 4.009 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -2.610 11.072 5.578 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -0.076 13.475 5.066 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -0.748 12.274 6.174 1.00 0.00 H new ATOM 533 N GLN A 35 -6.202 11.129 1.622 1.00 0.00 N ATOM 534 CA GLN A 35 -6.988 10.899 2.834 1.00 0.00 C ATOM 535 C GLN A 35 -6.820 9.473 3.358 1.00 0.00 C ATOM 536 O GLN A 35 -6.508 9.263 4.528 1.00 0.00 O ATOM 537 CB GLN A 35 -8.479 11.123 2.559 1.00 0.00 C ATOM 538 CG GLN A 35 -8.835 12.512 2.061 1.00 0.00 C ATOM 539 CD GLN A 35 -10.321 12.658 1.789 1.00 0.00 C ATOM 540 OE1 GLN A 35 -10.996 11.694 1.423 1.00 0.00 O ATOM 541 NE2 GLN A 35 -10.844 13.857 1.983 1.00 0.00 N ATOM 0 H GLN A 35 -6.709 11.635 0.896 1.00 0.00 H new ATOM 0 HA GLN A 35 -6.623 11.605 3.580 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -8.811 10.392 1.822 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -9.036 10.927 3.475 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -8.528 13.251 2.801 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -8.277 12.723 1.149 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -10.251 14.629 2.286 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -11.841 14.010 1.829 1.00 0.00 H new ATOM 550 N LYS A 36 -7.019 8.496 2.485 1.00 0.00 N ATOM 551 CA LYS A 36 -7.102 7.108 2.911 1.00 0.00 C ATOM 552 C LYS A 36 -5.883 6.294 2.488 1.00 0.00 C ATOM 553 O LYS A 36 -5.427 6.362 1.343 1.00 0.00 O ATOM 554 CB LYS A 36 -8.386 6.490 2.359 1.00 0.00 C ATOM 555 CG LYS A 36 -8.559 6.702 0.867 1.00 0.00 C ATOM 556 CD LYS A 36 -10.007 6.577 0.433 1.00 0.00 C ATOM 557 CE LYS A 36 -10.890 7.683 1.001 1.00 0.00 C ATOM 558 NZ LYS A 36 -11.562 7.294 2.271 1.00 0.00 N ATOM 0 H LYS A 36 -7.126 8.639 1.481 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.121 7.089 4.001 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.386 5.421 2.570 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.241 6.918 2.882 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -8.185 7.689 0.597 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.955 5.973 0.326 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.059 6.600 -0.656 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.395 5.609 0.751 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.284 8.572 1.174 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -11.646 7.952 0.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -12.592 7.277 2.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -11.237 6.349 2.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.327 7.983 3.013 1.00 0.00 H new ATOM 572 N THR A 37 -5.385 5.514 3.431 1.00 0.00 N ATOM 573 CA THR A 37 -4.222 4.672 3.232 1.00 0.00 C ATOM 574 C THR A 37 -4.639 3.325 2.641 1.00 0.00 C ATOM 575 O THR A 37 -5.742 2.845 2.907 1.00 0.00 O ATOM 576 CB THR A 37 -3.517 4.440 4.582 1.00 0.00 C ATOM 577 OG1 THR A 37 -3.351 5.690 5.266 1.00 0.00 O ATOM 578 CG2 THR A 37 -2.162 3.785 4.390 1.00 0.00 C ATOM 0 H THR A 37 -5.783 5.448 4.368 1.00 0.00 H new ATOM 0 HA THR A 37 -3.541 5.169 2.541 1.00 0.00 H new ATOM 0 HB THR A 37 -4.140 3.772 5.177 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.134 5.861 5.829 1.00 0.00 H new ATOM 0 HG21 THR A 37 -1.690 3.635 5.361 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.290 2.822 3.896 1.00 0.00 H new ATOM 0 HG23 THR A 37 -1.531 4.427 3.775 1.00 0.00 H new ATOM 586 N CYS A 38 -3.768 2.727 1.838 1.00 0.00 N ATOM 587 CA CYS A 38 -4.048 1.426 1.252 1.00 0.00 C ATOM 588 C CYS A 38 -3.360 0.345 2.083 1.00 0.00 C ATOM 589 O CYS A 38 -2.151 0.162 1.996 1.00 0.00 O ATOM 590 CB CYS A 38 -3.555 1.401 -0.199 1.00 0.00 C ATOM 591 SG CYS A 38 -4.376 0.179 -1.265 1.00 0.00 S ATOM 0 H CYS A 38 -2.864 3.123 1.579 1.00 0.00 H new ATOM 0 HA CYS A 38 -5.121 1.236 1.252 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -3.695 2.391 -0.632 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -2.484 1.201 -0.200 1.00 0.00 H new ATOM 596 N CYS A 39 -4.123 -0.347 2.911 1.00 0.00 N ATOM 597 CA CYS A 39 -3.552 -1.301 3.853 1.00 0.00 C ATOM 598 C CYS A 39 -3.836 -2.738 3.440 1.00 0.00 C ATOM 599 O CYS A 39 -4.963 -3.220 3.563 1.00 0.00 O ATOM 600 CB CYS A 39 -4.104 -1.048 5.252 1.00 0.00 C ATOM 601 SG CYS A 39 -3.722 0.607 5.912 1.00 0.00 S ATOM 0 H CYS A 39 -5.139 -0.268 2.952 1.00 0.00 H new ATOM 0 HA CYS A 39 -2.471 -1.159 3.854 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -5.186 -1.180 5.234 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -3.703 -1.800 5.931 1.00 0.00 H new ATOM 606 N VAL A 40 -2.807 -3.423 2.964 1.00 0.00 N ATOM 607 CA VAL A 40 -2.952 -4.810 2.537 1.00 0.00 C ATOM 608 C VAL A 40 -2.337 -5.746 3.562 1.00 0.00 C ATOM 609 O VAL A 40 -1.439 -5.351 4.311 1.00 0.00 O ATOM 610 CB VAL A 40 -2.293 -5.055 1.159 1.00 0.00 C ATOM 611 CG1 VAL A 40 -0.779 -5.037 1.257 1.00 0.00 C ATOM 612 CG2 VAL A 40 -2.791 -6.358 0.542 1.00 0.00 C ATOM 0 H VAL A 40 -1.865 -3.045 2.863 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.019 -5.012 2.448 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.586 -4.237 0.501 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.348 -5.212 0.271 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.450 -4.067 1.629 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.449 -5.819 1.941 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.313 -6.508 -0.426 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.544 -7.190 1.201 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.872 -6.308 0.409 1.00 0.00 H new ATOM 622 N ASP A 41 -2.861 -6.967 3.625 1.00 0.00 N ATOM 623 CA ASP A 41 -2.266 -8.018 4.438 1.00 0.00 C ATOM 624 C ASP A 41 -0.882 -8.316 3.911 1.00 0.00 C ATOM 625 O ASP A 41 -0.720 -8.990 2.891 1.00 0.00 O ATOM 626 CB ASP A 41 -3.129 -9.276 4.408 1.00 0.00 C ATOM 627 CG ASP A 41 -2.470 -10.470 5.084 1.00 0.00 C ATOM 628 OD1 ASP A 41 -1.798 -11.267 4.387 1.00 0.00 O ATOM 629 OD2 ASP A 41 -2.644 -10.635 6.306 1.00 0.00 O ATOM 0 H ASP A 41 -3.700 -7.252 3.120 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.201 -7.683 5.473 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.080 -9.068 4.898 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.353 -9.531 3.372 1.00 0.00 H new ATOM 634 N THR A 42 0.110 -7.791 4.588 1.00 0.00 N ATOM 635 CA THR A 42 1.453 -7.836 4.082 1.00 0.00 C ATOM 636 C THR A 42 2.214 -9.047 4.612 1.00 0.00 C ATOM 637 O THR A 42 2.938 -8.969 5.606 1.00 0.00 O ATOM 638 CB THR A 42 2.193 -6.528 4.432 1.00 0.00 C ATOM 639 OG1 THR A 42 1.886 -6.136 5.777 1.00 0.00 O ATOM 640 CG2 THR A 42 1.799 -5.413 3.473 1.00 0.00 C ATOM 0 H THR A 42 0.009 -7.328 5.491 1.00 0.00 H new ATOM 0 HA THR A 42 1.402 -7.936 2.998 1.00 0.00 H new ATOM 0 HB THR A 42 3.265 -6.706 4.341 1.00 0.00 H new ATOM 0 HG1 THR A 42 2.361 -5.306 5.992 1.00 0.00 H new ATOM 0 HG21 THR A 42 2.332 -4.500 3.738 1.00 0.00 H new ATOM 0 HG22 THR A 42 2.057 -5.701 2.454 1.00 0.00 H new ATOM 0 HG23 THR A 42 0.725 -5.238 3.540 1.00 0.00 H new ATOM 648 N THR A 43 2.043 -10.172 3.930 1.00 0.00 N ATOM 649 CA THR A 43 2.759 -11.386 4.266 1.00 0.00 C ATOM 650 C THR A 43 3.732 -11.816 3.169 1.00 0.00 C ATOM 651 O THR A 43 4.943 -11.735 3.339 1.00 0.00 O ATOM 652 CB THR A 43 1.772 -12.521 4.562 1.00 0.00 C ATOM 653 OG1 THR A 43 0.642 -12.432 3.674 1.00 0.00 O ATOM 654 CG2 THR A 43 1.310 -12.446 6.000 1.00 0.00 C ATOM 0 H THR A 43 1.409 -10.264 3.136 1.00 0.00 H new ATOM 0 HA THR A 43 3.349 -11.170 5.157 1.00 0.00 H new ATOM 0 HB THR A 43 2.273 -13.476 4.404 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.101 -11.989 4.134 1.00 0.00 H new ATOM 0 HG21 THR A 43 0.609 -13.257 6.200 1.00 0.00 H new ATOM 0 HG22 THR A 43 2.170 -12.538 6.664 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.817 -11.489 6.175 1.00 0.00 H new ATOM 662 N SER A 44 3.189 -12.315 2.066 1.00 0.00 N ATOM 663 CA SER A 44 4.001 -12.826 0.960 1.00 0.00 C ATOM 664 C SER A 44 4.216 -11.796 -0.159 1.00 0.00 C ATOM 665 O SER A 44 5.347 -11.463 -0.509 1.00 0.00 O ATOM 666 CB SER A 44 3.337 -14.055 0.380 1.00 0.00 C ATOM 667 OG SER A 44 2.864 -14.911 1.410 1.00 0.00 O ATOM 0 H SER A 44 2.183 -12.379 1.910 1.00 0.00 H new ATOM 0 HA SER A 44 4.982 -13.064 1.370 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.507 -13.756 -0.260 1.00 0.00 H new ATOM 0 HB3 SER A 44 4.046 -14.594 -0.249 1.00 0.00 H new ATOM 0 HG SER A 44 2.437 -15.698 1.011 1.00 0.00 H new ATOM 673 N ASP A 45 3.112 -11.321 -0.734 1.00 0.00 N ATOM 674 CA ASP A 45 3.143 -10.449 -1.913 1.00 0.00 C ATOM 675 C ASP A 45 3.374 -8.996 -1.519 1.00 0.00 C ATOM 676 O ASP A 45 3.505 -8.120 -2.376 1.00 0.00 O ATOM 677 CB ASP A 45 1.854 -10.578 -2.732 1.00 0.00 C ATOM 678 CG ASP A 45 0.628 -10.093 -1.988 1.00 0.00 C ATOM 679 OD1 ASP A 45 0.162 -8.973 -2.267 1.00 0.00 O ATOM 680 OD2 ASP A 45 0.126 -10.835 -1.119 1.00 0.00 O ATOM 0 H ASP A 45 2.171 -11.528 -0.398 1.00 0.00 H new ATOM 0 HA ASP A 45 3.978 -10.773 -2.534 1.00 0.00 H new ATOM 0 HB2 ASP A 45 1.959 -10.010 -3.656 1.00 0.00 H new ATOM 0 HB3 ASP A 45 1.712 -11.621 -3.013 1.00 0.00 H new ATOM 685 N PHE A 46 3.394 -8.771 -0.211 1.00 0.00 N ATOM 686 CA PHE A 46 3.593 -7.452 0.413 1.00 0.00 C ATOM 687 C PHE A 46 4.745 -6.642 -0.170 1.00 0.00 C ATOM 688 O PHE A 46 4.867 -5.451 0.086 1.00 0.00 O ATOM 689 CB PHE A 46 3.817 -7.635 1.905 1.00 0.00 C ATOM 690 CG PHE A 46 5.072 -8.360 2.284 1.00 0.00 C ATOM 691 CD1 PHE A 46 5.717 -8.094 3.474 1.00 0.00 C ATOM 692 CD2 PHE A 46 5.579 -9.324 1.458 1.00 0.00 C ATOM 693 CE1 PHE A 46 6.857 -8.789 3.823 1.00 0.00 C ATOM 694 CE2 PHE A 46 6.709 -10.026 1.785 1.00 0.00 C ATOM 695 CZ PHE A 46 7.357 -9.762 2.977 1.00 0.00 C ATOM 0 H PHE A 46 3.269 -9.518 0.472 1.00 0.00 H new ATOM 0 HA PHE A 46 2.688 -6.881 0.206 1.00 0.00 H new ATOM 0 HB2 PHE A 46 3.829 -6.652 2.376 1.00 0.00 H new ATOM 0 HB3 PHE A 46 2.966 -8.176 2.319 1.00 0.00 H new ATOM 0 HD1 PHE A 46 5.327 -7.336 4.137 1.00 0.00 H new ATOM 0 HD2 PHE A 46 5.077 -9.537 0.526 1.00 0.00 H new ATOM 0 HE1 PHE A 46 7.358 -8.573 4.755 1.00 0.00 H new ATOM 0 HE2 PHE A 46 7.092 -10.782 1.115 1.00 0.00 H new ATOM 0 HZ PHE A 46 8.247 -10.311 3.246 1.00 0.00 H new ATOM 705 N HIS A 47 5.584 -7.296 -0.940 1.00 0.00 N ATOM 706 CA HIS A 47 6.679 -6.642 -1.660 1.00 0.00 C ATOM 707 C HIS A 47 6.169 -5.567 -2.634 1.00 0.00 C ATOM 708 O HIS A 47 6.958 -4.932 -3.323 1.00 0.00 O ATOM 709 CB HIS A 47 7.527 -7.667 -2.402 1.00 0.00 C ATOM 710 CG HIS A 47 8.983 -7.489 -2.133 1.00 0.00 C ATOM 711 ND1 HIS A 47 9.788 -6.655 -2.873 1.00 0.00 N ATOM 712 CD2 HIS A 47 9.765 -8.002 -1.158 1.00 0.00 C ATOM 713 CE1 HIS A 47 11.003 -6.657 -2.363 1.00 0.00 C ATOM 714 NE2 HIS A 47 11.019 -7.469 -1.322 1.00 0.00 N ATOM 0 H HIS A 47 5.535 -8.303 -1.093 1.00 0.00 H new ATOM 0 HA HIS A 47 7.299 -6.144 -0.914 1.00 0.00 H new ATOM 0 HB2 HIS A 47 7.224 -8.671 -2.105 1.00 0.00 H new ATOM 0 HB3 HIS A 47 7.343 -7.582 -3.473 1.00 0.00 H new ATOM 0 HD2 HIS A 47 9.460 -8.701 -0.393 1.00 0.00 H new ATOM 0 HE1 HIS A 47 11.844 -6.090 -2.734 1.00 0.00 H new ATOM 0 HE2 HIS A 47 11.830 -7.668 -0.736 1.00 0.00 H new ATOM 723 N THR A 48 4.847 -5.413 -2.680 1.00 0.00 N ATOM 724 CA THR A 48 4.108 -4.462 -3.530 1.00 0.00 C ATOM 725 C THR A 48 4.628 -3.001 -3.496 1.00 0.00 C ATOM 726 O THR A 48 4.050 -2.120 -4.131 1.00 0.00 O ATOM 727 CB THR A 48 2.653 -4.453 -3.041 1.00 0.00 C ATOM 728 OG1 THR A 48 2.200 -5.795 -2.836 1.00 0.00 O ATOM 729 CG2 THR A 48 1.712 -3.757 -4.009 1.00 0.00 C ATOM 0 H THR A 48 4.224 -5.974 -2.098 1.00 0.00 H new ATOM 0 HA THR A 48 4.233 -4.801 -4.558 1.00 0.00 H new ATOM 0 HB THR A 48 2.639 -3.894 -2.105 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.272 -5.783 -2.522 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.697 -3.781 -3.611 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.026 -2.721 -4.140 1.00 0.00 H new ATOM 0 HG23 THR A 48 1.737 -4.268 -4.971 1.00 0.00 H new ATOM 737 N CYS A 49 5.686 -2.737 -2.753 1.00 0.00 N ATOM 738 CA CYS A 49 6.203 -1.376 -2.597 1.00 0.00 C ATOM 739 C CYS A 49 6.370 -0.650 -3.942 1.00 0.00 C ATOM 740 O CYS A 49 5.824 0.437 -4.123 1.00 0.00 O ATOM 741 CB CYS A 49 7.522 -1.374 -1.800 1.00 0.00 C ATOM 742 SG CYS A 49 9.028 -1.763 -2.758 1.00 0.00 S ATOM 0 H CYS A 49 6.212 -3.446 -2.242 1.00 0.00 H new ATOM 0 HA CYS A 49 5.457 -0.819 -2.030 1.00 0.00 H new ATOM 0 HB2 CYS A 49 7.648 -0.392 -1.344 1.00 0.00 H new ATOM 0 HB3 CYS A 49 7.435 -2.095 -0.987 1.00 0.00 H new ATOM 0 HG CYS A 49 9.776 -0.703 -2.839 1.00 0.00 H new ATOM 747 N GLN A 50 7.067 -1.254 -4.902 1.00 0.00 N ATOM 748 CA GLN A 50 7.314 -0.596 -6.181 1.00 0.00 C ATOM 749 C GLN A 50 6.029 -0.442 -6.994 1.00 0.00 C ATOM 750 O GLN A 50 5.972 0.347 -7.932 1.00 0.00 O ATOM 751 CB GLN A 50 8.395 -1.320 -6.996 1.00 0.00 C ATOM 752 CG GLN A 50 8.075 -2.752 -7.417 1.00 0.00 C ATOM 753 CD GLN A 50 8.004 -3.710 -6.248 1.00 0.00 C ATOM 754 OE1 GLN A 50 9.029 -4.192 -5.764 1.00 0.00 O ATOM 755 NE2 GLN A 50 6.799 -4.042 -5.829 1.00 0.00 N ATOM 0 H GLN A 50 7.467 -2.189 -4.820 1.00 0.00 H new ATOM 0 HA GLN A 50 7.686 0.403 -5.954 1.00 0.00 H new ATOM 0 HB2 GLN A 50 8.596 -0.736 -7.894 1.00 0.00 H new ATOM 0 HB3 GLN A 50 9.315 -1.332 -6.411 1.00 0.00 H new ATOM 0 HG2 GLN A 50 7.123 -2.765 -7.948 1.00 0.00 H new ATOM 0 HG3 GLN A 50 8.836 -3.098 -8.117 1.00 0.00 H new ATOM 0 HE21 GLN A 50 5.976 -3.619 -6.257 1.00 0.00 H new ATOM 0 HE22 GLN A 50 6.690 -4.722 -5.077 1.00 0.00 H new ATOM 764 N ASP A 51 4.995 -1.177 -6.611 1.00 0.00 N ATOM 765 CA ASP A 51 3.689 -1.057 -7.253 1.00 0.00 C ATOM 766 C ASP A 51 2.987 0.209 -6.778 1.00 0.00 C ATOM 767 O ASP A 51 2.272 0.861 -7.534 1.00 0.00 O ATOM 768 CB ASP A 51 2.812 -2.267 -6.933 1.00 0.00 C ATOM 769 CG ASP A 51 3.318 -3.551 -7.555 1.00 0.00 C ATOM 770 OD1 ASP A 51 4.354 -4.078 -7.095 1.00 0.00 O ATOM 771 OD2 ASP A 51 2.669 -4.052 -8.494 1.00 0.00 O ATOM 0 H ASP A 51 5.033 -1.864 -5.858 1.00 0.00 H new ATOM 0 HA ASP A 51 3.846 -1.009 -8.331 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.757 -2.392 -5.852 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.798 -2.076 -7.284 1.00 0.00 H new ATOM 776 N LYS A 52 3.200 0.546 -5.512 1.00 0.00 N ATOM 777 CA LYS A 52 2.621 1.749 -4.927 1.00 0.00 C ATOM 778 C LYS A 52 3.397 2.990 -5.333 1.00 0.00 C ATOM 779 O LYS A 52 2.879 4.105 -5.274 1.00 0.00 O ATOM 780 CB LYS A 52 2.614 1.642 -3.405 1.00 0.00 C ATOM 781 CG LYS A 52 1.583 0.675 -2.860 1.00 0.00 C ATOM 782 CD LYS A 52 0.168 1.078 -3.265 1.00 0.00 C ATOM 783 CE LYS A 52 -0.111 2.545 -2.954 1.00 0.00 C ATOM 784 NZ LYS A 52 -1.478 2.955 -3.372 1.00 0.00 N ATOM 0 H LYS A 52 3.772 0.000 -4.868 1.00 0.00 H new ATOM 0 HA LYS A 52 1.600 1.838 -5.299 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.603 1.331 -3.068 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.430 2.630 -2.982 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.795 -0.329 -3.227 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.655 0.639 -1.773 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.030 0.899 -4.331 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.553 0.451 -2.741 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.008 2.717 -1.884 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.625 3.169 -3.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.754 3.817 -2.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.487 3.142 -4.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.151 2.193 -3.154 1.00 0.00 H new ATOM 798 N GLY A 53 4.628 2.784 -5.754 1.00 0.00 N ATOM 799 CA GLY A 53 5.512 3.891 -6.031 1.00 0.00 C ATOM 800 C GLY A 53 6.742 3.826 -5.159 1.00 0.00 C ATOM 801 O GLY A 53 7.194 4.837 -4.621 1.00 0.00 O ATOM 0 H GLY A 53 5.036 1.862 -5.911 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.804 3.875 -7.081 1.00 0.00 H new ATOM 0 HA3 GLY A 53 4.989 4.832 -5.860 1.00 0.00 H new ATOM 805 N GLY A 54 7.263 2.620 -5.000 1.00 0.00 N ATOM 806 CA GLY A 54 8.438 2.414 -4.190 1.00 0.00 C ATOM 807 C GLY A 54 9.694 2.811 -4.914 1.00 0.00 C ATOM 808 O GLY A 54 10.043 2.236 -5.946 1.00 0.00 O ATOM 0 H GLY A 54 6.886 1.773 -5.424 1.00 0.00 H new ATOM 0 HA2 GLY A 54 8.351 2.992 -3.270 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.501 1.365 -3.902 1.00 0.00 H new ATOM 812 N HIS A 55 10.358 3.811 -4.384 1.00 0.00 N ATOM 813 CA HIS A 55 11.592 4.301 -4.965 1.00 0.00 C ATOM 814 C HIS A 55 12.773 3.754 -4.188 1.00 0.00 C ATOM 815 O HIS A 55 12.611 3.237 -3.084 1.00 0.00 O ATOM 816 CB HIS A 55 11.626 5.831 -4.964 1.00 0.00 C ATOM 817 CG HIS A 55 10.620 6.468 -5.876 1.00 0.00 C ATOM 818 ND1 HIS A 55 10.965 7.135 -7.031 1.00 0.00 N ATOM 819 CD2 HIS A 55 9.272 6.558 -5.783 1.00 0.00 C ATOM 820 CE1 HIS A 55 9.875 7.609 -7.605 1.00 0.00 C ATOM 821 NE2 HIS A 55 8.834 7.271 -6.870 1.00 0.00 N ATOM 0 H HIS A 55 10.063 4.307 -3.543 1.00 0.00 H new ATOM 0 HA HIS A 55 11.649 3.961 -5.999 1.00 0.00 H new ATOM 0 HB2 HIS A 55 11.455 6.187 -3.948 1.00 0.00 H new ATOM 0 HB3 HIS A 55 12.623 6.161 -5.254 1.00 0.00 H new ATOM 0 HD2 HIS A 55 8.656 6.145 -4.998 1.00 0.00 H new ATOM 0 HE1 HIS A 55 9.842 8.178 -8.522 1.00 0.00 H new ATOM 0 HE2 HIS A 55 7.862 7.502 -7.076 1.00 0.00 H new ATOM 830 N CYS A 56 13.953 3.879 -4.750 1.00 0.00 N ATOM 831 CA CYS A 56 15.149 3.388 -4.107 1.00 0.00 C ATOM 832 C CYS A 56 16.101 4.536 -3.870 1.00 0.00 C ATOM 833 O CYS A 56 16.570 5.173 -4.814 1.00 0.00 O ATOM 834 CB CYS A 56 15.802 2.295 -4.950 1.00 0.00 C ATOM 835 SG CYS A 56 14.851 0.739 -4.966 1.00 0.00 S ATOM 0 H CYS A 56 14.110 4.319 -5.657 1.00 0.00 H new ATOM 0 HA CYS A 56 14.886 2.948 -3.145 1.00 0.00 H new ATOM 0 HB2 CYS A 56 15.917 2.654 -5.973 1.00 0.00 H new ATOM 0 HB3 CYS A 56 16.803 2.098 -4.566 1.00 0.00 H new ATOM 840 N VAL A 57 16.357 4.818 -2.607 1.00 0.00 N ATOM 841 CA VAL A 57 17.185 5.950 -2.244 1.00 0.00 C ATOM 842 C VAL A 57 18.390 5.504 -1.431 1.00 0.00 C ATOM 843 O VAL A 57 18.296 4.606 -0.587 1.00 0.00 O ATOM 844 CB VAL A 57 16.378 7.001 -1.456 1.00 0.00 C ATOM 845 CG1 VAL A 57 15.222 7.520 -2.293 1.00 0.00 C ATOM 846 CG2 VAL A 57 15.870 6.433 -0.138 1.00 0.00 C ATOM 0 H VAL A 57 16.004 4.279 -1.816 1.00 0.00 H new ATOM 0 HA VAL A 57 17.537 6.407 -3.169 1.00 0.00 H new ATOM 0 HB VAL A 57 17.044 7.833 -1.227 1.00 0.00 H new ATOM 0 HG11 VAL A 57 14.663 8.261 -1.722 1.00 0.00 H new ATOM 0 HG12 VAL A 57 15.609 7.980 -3.203 1.00 0.00 H new ATOM 0 HG13 VAL A 57 14.563 6.692 -2.557 1.00 0.00 H new ATOM 0 HG21 VAL A 57 15.305 7.198 0.394 1.00 0.00 H new ATOM 0 HG22 VAL A 57 15.225 5.577 -0.335 1.00 0.00 H new ATOM 0 HG23 VAL A 57 16.716 6.117 0.472 1.00 0.00 H new ATOM 856 N SER A 58 19.522 6.119 -1.727 1.00 0.00 N ATOM 857 CA SER A 58 20.771 5.808 -1.065 1.00 0.00 C ATOM 858 C SER A 58 20.767 6.402 0.344 1.00 0.00 C ATOM 859 O SER A 58 19.970 7.294 0.642 1.00 0.00 O ATOM 860 CB SER A 58 21.925 6.371 -1.901 1.00 0.00 C ATOM 861 OG SER A 58 21.909 7.785 -1.907 1.00 0.00 O ATOM 0 H SER A 58 19.598 6.849 -2.435 1.00 0.00 H new ATOM 0 HA SER A 58 20.896 4.729 -0.974 1.00 0.00 H new ATOM 0 HB2 SER A 58 22.875 6.017 -1.500 1.00 0.00 H new ATOM 0 HB3 SER A 58 21.852 5.999 -2.923 1.00 0.00 H new ATOM 0 HG SER A 58 22.607 8.117 -2.509 1.00 0.00 H new ATOM 867 N PRO A 59 21.649 5.911 1.234 1.00 0.00 N ATOM 868 CA PRO A 59 21.707 6.359 2.635 1.00 0.00 C ATOM 869 C PRO A 59 22.010 7.852 2.803 1.00 0.00 C ATOM 870 O PRO A 59 22.049 8.354 3.925 1.00 0.00 O ATOM 871 CB PRO A 59 22.841 5.523 3.243 1.00 0.00 C ATOM 872 CG PRO A 59 23.621 5.010 2.082 1.00 0.00 C ATOM 873 CD PRO A 59 22.639 4.854 0.960 1.00 0.00 C ATOM 0 HA PRO A 59 20.738 6.224 3.116 1.00 0.00 H new ATOM 0 HB2 PRO A 59 23.466 6.128 3.900 1.00 0.00 H new ATOM 0 HB3 PRO A 59 22.446 4.704 3.844 1.00 0.00 H new ATOM 0 HG2 PRO A 59 24.417 5.703 1.810 1.00 0.00 H new ATOM 0 HG3 PRO A 59 24.095 4.058 2.321 1.00 0.00 H new ATOM 0 HD2 PRO A 59 23.113 4.988 -0.012 1.00 0.00 H new ATOM 0 HD3 PRO A 59 22.182 3.864 0.958 1.00 0.00 H new ATOM 881 N LYS A 60 22.229 8.561 1.700 1.00 0.00 N ATOM 882 CA LYS A 60 22.503 9.991 1.763 1.00 0.00 C ATOM 883 C LYS A 60 21.286 10.803 1.321 1.00 0.00 C ATOM 884 O LYS A 60 21.322 12.036 1.304 1.00 0.00 O ATOM 885 CB LYS A 60 23.714 10.347 0.901 1.00 0.00 C ATOM 886 CG LYS A 60 23.532 10.047 -0.579 1.00 0.00 C ATOM 887 CD LYS A 60 24.716 10.537 -1.397 1.00 0.00 C ATOM 888 CE LYS A 60 26.018 9.891 -0.947 1.00 0.00 C ATOM 889 NZ LYS A 60 27.193 10.452 -1.664 1.00 0.00 N ATOM 0 H LYS A 60 22.222 8.171 0.758 1.00 0.00 H new ATOM 0 HA LYS A 60 22.725 10.242 2.800 1.00 0.00 H new ATOM 0 HB2 LYS A 60 23.933 11.408 1.021 1.00 0.00 H new ATOM 0 HB3 LYS A 60 24.582 9.799 1.268 1.00 0.00 H new ATOM 0 HG2 LYS A 60 23.410 8.973 -0.721 1.00 0.00 H new ATOM 0 HG3 LYS A 60 22.619 10.522 -0.938 1.00 0.00 H new ATOM 0 HD2 LYS A 60 24.546 10.317 -2.451 1.00 0.00 H new ATOM 0 HD3 LYS A 60 24.797 11.620 -1.307 1.00 0.00 H new ATOM 0 HE2 LYS A 60 26.144 10.037 0.126 1.00 0.00 H new ATOM 0 HE3 LYS A 60 25.968 8.816 -1.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 28.060 9.985 -1.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 27.086 10.290 -2.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 27.257 11.474 -1.480 1.00 0.00 H new ATOM 903 N ILE A 61 20.218 10.108 0.958 1.00 0.00 N ATOM 904 CA ILE A 61 18.977 10.762 0.571 1.00 0.00 C ATOM 905 C ILE A 61 18.111 10.989 1.800 1.00 0.00 C ATOM 906 O ILE A 61 18.230 10.268 2.792 1.00 0.00 O ATOM 907 CB ILE A 61 18.184 9.912 -0.443 1.00 0.00 C ATOM 908 CG1 ILE A 61 19.101 9.425 -1.558 1.00 0.00 C ATOM 909 CG2 ILE A 61 17.016 10.697 -1.022 1.00 0.00 C ATOM 910 CD1 ILE A 61 19.599 10.509 -2.485 1.00 0.00 C ATOM 0 H ILE A 61 20.186 9.089 0.923 1.00 0.00 H new ATOM 0 HA ILE A 61 19.235 11.713 0.105 1.00 0.00 H new ATOM 0 HB ILE A 61 17.781 9.047 0.084 1.00 0.00 H new ATOM 0 HG12 ILE A 61 19.960 8.925 -1.111 1.00 0.00 H new ATOM 0 HG13 ILE A 61 18.569 8.678 -2.147 1.00 0.00 H new ATOM 0 HG21 ILE A 61 16.475 10.073 -1.733 1.00 0.00 H new ATOM 0 HG22 ILE A 61 16.344 10.996 -0.217 1.00 0.00 H new ATOM 0 HG23 ILE A 61 17.391 11.585 -1.530 1.00 0.00 H new ATOM 0 HD11 ILE A 61 20.244 10.069 -3.246 1.00 0.00 H new ATOM 0 HD12 ILE A 61 18.750 10.995 -2.966 1.00 0.00 H new ATOM 0 HD13 ILE A 61 20.163 11.246 -1.913 1.00 0.00 H new ATOM 922 N ARG A 62 17.254 11.990 1.738 1.00 0.00 N ATOM 923 CA ARG A 62 16.321 12.251 2.823 1.00 0.00 C ATOM 924 C ARG A 62 14.892 12.125 2.330 1.00 0.00 C ATOM 925 O ARG A 62 14.266 13.094 1.895 1.00 0.00 O ATOM 926 CB ARG A 62 16.559 13.629 3.433 1.00 0.00 C ATOM 927 CG ARG A 62 17.892 13.739 4.146 1.00 0.00 C ATOM 928 CD ARG A 62 18.062 15.094 4.816 1.00 0.00 C ATOM 929 NE ARG A 62 17.933 16.196 3.862 1.00 0.00 N ATOM 930 CZ ARG A 62 18.640 17.324 3.916 1.00 0.00 C ATOM 931 NH1 ARG A 62 19.554 17.503 4.863 1.00 0.00 N ATOM 932 NH2 ARG A 62 18.438 18.274 3.013 1.00 0.00 N ATOM 0 H ARG A 62 17.183 12.635 0.951 1.00 0.00 H new ATOM 0 HA ARG A 62 16.489 11.507 3.602 1.00 0.00 H new ATOM 0 HB2 ARG A 62 16.511 14.382 2.646 1.00 0.00 H new ATOM 0 HB3 ARG A 62 15.757 13.852 4.137 1.00 0.00 H new ATOM 0 HG2 ARG A 62 17.970 12.951 4.895 1.00 0.00 H new ATOM 0 HG3 ARG A 62 18.701 13.582 3.432 1.00 0.00 H new ATOM 0 HD2 ARG A 62 17.316 15.206 5.603 1.00 0.00 H new ATOM 0 HD3 ARG A 62 19.040 15.142 5.295 1.00 0.00 H new ATOM 0 HE ARG A 62 17.257 16.094 3.105 1.00 0.00 H new ATOM 0 HH11 ARG A 62 19.719 16.774 5.557 1.00 0.00 H new ATOM 0 HH12 ARG A 62 20.091 18.370 4.897 1.00 0.00 H new ATOM 0 HH21 ARG A 62 17.742 18.140 2.279 1.00 0.00 H new ATOM 0 HH22 ARG A 62 18.978 19.138 3.053 1.00 0.00 H new ATOM 946 N CYS A 63 14.398 10.911 2.397 1.00 0.00 N ATOM 947 CA CYS A 63 13.064 10.574 1.935 1.00 0.00 C ATOM 948 C CYS A 63 12.361 9.729 2.977 1.00 0.00 C ATOM 949 O CYS A 63 13.014 9.128 3.826 1.00 0.00 O ATOM 950 CB CYS A 63 13.156 9.827 0.603 1.00 0.00 C ATOM 951 SG CYS A 63 11.542 9.400 -0.124 1.00 0.00 S ATOM 0 H CYS A 63 14.914 10.118 2.778 1.00 0.00 H new ATOM 0 HA CYS A 63 12.487 11.486 1.783 1.00 0.00 H new ATOM 0 HB2 CYS A 63 13.711 10.440 -0.107 1.00 0.00 H new ATOM 0 HB3 CYS A 63 13.729 8.912 0.751 1.00 0.00 H new ATOM 956 N LEU A 64 11.034 9.717 2.946 1.00 0.00 N ATOM 957 CA LEU A 64 10.277 8.835 3.814 1.00 0.00 C ATOM 958 C LEU A 64 10.498 7.394 3.382 1.00 0.00 C ATOM 959 O LEU A 64 9.707 6.816 2.633 1.00 0.00 O ATOM 960 CB LEU A 64 8.798 9.180 3.755 1.00 0.00 C ATOM 961 CG LEU A 64 8.425 10.529 4.361 1.00 0.00 C ATOM 962 CD1 LEU A 64 6.921 10.652 4.447 1.00 0.00 C ATOM 963 CD2 LEU A 64 9.054 10.704 5.735 1.00 0.00 C ATOM 0 H LEU A 64 10.467 10.304 2.334 1.00 0.00 H new ATOM 0 HA LEU A 64 10.618 8.961 4.842 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.479 9.166 2.713 1.00 0.00 H new ATOM 0 HB3 LEU A 64 8.238 8.400 4.270 1.00 0.00 H new ATOM 0 HG LEU A 64 8.811 11.318 3.716 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.659 11.617 4.881 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.492 10.574 3.448 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.526 9.853 5.075 1.00 0.00 H new ATOM 0 HD21 LEU A 64 8.772 11.674 6.144 1.00 0.00 H new ATOM 0 HD22 LEU A 64 8.703 9.914 6.399 1.00 0.00 H new ATOM 0 HD23 LEU A 64 10.139 10.649 5.648 1.00 0.00 H new ATOM 975 N GLU A 65 11.570 6.815 3.882 1.00 0.00 N ATOM 976 CA GLU A 65 11.988 5.485 3.482 1.00 0.00 C ATOM 977 C GLU A 65 11.345 4.408 4.350 1.00 0.00 C ATOM 978 O GLU A 65 10.671 4.717 5.336 1.00 0.00 O ATOM 979 CB GLU A 65 13.520 5.360 3.501 1.00 0.00 C ATOM 980 CG GLU A 65 14.155 5.402 4.888 1.00 0.00 C ATOM 981 CD GLU A 65 14.133 6.775 5.525 1.00 0.00 C ATOM 982 OE1 GLU A 65 13.147 7.093 6.222 1.00 0.00 O ATOM 983 OE2 GLU A 65 15.103 7.540 5.338 1.00 0.00 O ATOM 0 H GLU A 65 12.176 7.252 4.576 1.00 0.00 H new ATOM 0 HA GLU A 65 11.646 5.330 2.459 1.00 0.00 H new ATOM 0 HB2 GLU A 65 13.799 4.423 3.019 1.00 0.00 H new ATOM 0 HB3 GLU A 65 13.942 6.166 2.900 1.00 0.00 H new ATOM 0 HG2 GLU A 65 13.633 4.701 5.539 1.00 0.00 H new ATOM 0 HG3 GLU A 65 15.188 5.061 4.816 1.00 0.00 H new ATOM 990 N GLU A 66 11.522 3.151 3.926 1.00 0.00 N ATOM 991 CA GLU A 66 11.019 1.968 4.635 1.00 0.00 C ATOM 992 C GLU A 66 9.564 1.718 4.295 1.00 0.00 C ATOM 993 O GLU A 66 8.685 1.714 5.161 1.00 0.00 O ATOM 994 CB GLU A 66 11.224 2.082 6.143 1.00 0.00 C ATOM 995 CG GLU A 66 12.686 2.128 6.529 1.00 0.00 C ATOM 996 CD GLU A 66 12.902 2.526 7.974 1.00 0.00 C ATOM 997 OE1 GLU A 66 12.850 1.641 8.857 1.00 0.00 O ATOM 998 OE2 GLU A 66 13.116 3.726 8.239 1.00 0.00 O ATOM 0 H GLU A 66 12.026 2.924 3.069 1.00 0.00 H new ATOM 0 HA GLU A 66 11.599 1.109 4.298 1.00 0.00 H new ATOM 0 HB2 GLU A 66 10.727 2.982 6.507 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.748 1.234 6.636 1.00 0.00 H new ATOM 0 HG2 GLU A 66 13.133 1.149 6.356 1.00 0.00 H new ATOM 0 HG3 GLU A 66 13.205 2.834 5.881 1.00 0.00 H new ATOM 1005 N GLN A 67 9.328 1.538 3.011 1.00 0.00 N ATOM 1006 CA GLN A 67 8.015 1.179 2.507 1.00 0.00 C ATOM 1007 C GLN A 67 7.779 -0.319 2.674 1.00 0.00 C ATOM 1008 O GLN A 67 6.905 -0.734 3.432 1.00 0.00 O ATOM 1009 CB GLN A 67 7.892 1.567 1.039 1.00 0.00 C ATOM 1010 CG GLN A 67 6.468 1.508 0.521 1.00 0.00 C ATOM 1011 CD GLN A 67 6.374 1.925 -0.926 1.00 0.00 C ATOM 1012 OE1 GLN A 67 7.192 2.688 -1.416 1.00 0.00 O ATOM 1013 NE2 GLN A 67 5.364 1.450 -1.618 1.00 0.00 N ATOM 0 H GLN A 67 10.040 1.636 2.287 1.00 0.00 H new ATOM 0 HA GLN A 67 7.261 1.720 3.078 1.00 0.00 H new ATOM 0 HB2 GLN A 67 8.279 2.577 0.903 1.00 0.00 H new ATOM 0 HB3 GLN A 67 8.517 0.903 0.441 1.00 0.00 H new ATOM 0 HG2 GLN A 67 6.084 0.494 0.631 1.00 0.00 H new ATOM 0 HG3 GLN A 67 5.835 2.156 1.127 1.00 0.00 H new ATOM 0 HE21 GLN A 67 4.698 0.814 -1.178 1.00 0.00 H new ATOM 0 HE22 GLN A 67 5.245 1.717 -2.595 1.00 0.00 H new ATOM 1022 N LEU A 68 8.574 -1.116 1.961 1.00 0.00 N ATOM 1023 CA LEU A 68 8.505 -2.576 2.043 1.00 0.00 C ATOM 1024 C LEU A 68 9.589 -3.194 1.167 1.00 0.00 C ATOM 1025 O LEU A 68 9.745 -2.813 0.012 1.00 0.00 O ATOM 1026 CB LEU A 68 7.138 -3.087 1.566 1.00 0.00 C ATOM 1027 CG LEU A 68 6.584 -4.320 2.299 1.00 0.00 C ATOM 1028 CD1 LEU A 68 7.532 -5.503 2.194 1.00 0.00 C ATOM 1029 CD2 LEU A 68 6.292 -3.995 3.757 1.00 0.00 C ATOM 0 H LEU A 68 9.282 -0.770 1.313 1.00 0.00 H new ATOM 0 HA LEU A 68 8.651 -2.863 3.084 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.416 -2.277 1.663 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.211 -3.323 0.504 1.00 0.00 H new ATOM 0 HG LEU A 68 5.649 -4.599 1.813 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.109 -6.357 2.723 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.676 -5.762 1.145 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.492 -5.240 2.638 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.901 -4.882 4.256 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.211 -3.677 4.250 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.555 -3.194 3.811 1.00 0.00 H new ATOM 1041 N GLY A 69 10.333 -4.139 1.715 1.00 0.00 N ATOM 1042 CA GLY A 69 11.276 -4.885 0.909 1.00 0.00 C ATOM 1043 C GLY A 69 12.621 -4.207 0.794 1.00 0.00 C ATOM 1044 O GLY A 69 12.737 -3.002 1.009 1.00 0.00 O ATOM 0 H GLY A 69 10.302 -4.403 2.700 1.00 0.00 H new ATOM 0 HA2 GLY A 69 11.411 -5.876 1.342 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.860 -5.027 -0.089 1.00 0.00 H new ATOM 1048 N LEU A 70 13.638 -4.975 0.448 1.00 0.00 N ATOM 1049 CA LEU A 70 14.978 -4.439 0.304 1.00 0.00 C ATOM 1050 C LEU A 70 15.257 -4.136 -1.164 1.00 0.00 C ATOM 1051 O LEU A 70 15.044 -4.977 -2.039 1.00 0.00 O ATOM 1052 CB LEU A 70 16.005 -5.435 0.849 1.00 0.00 C ATOM 1053 CG LEU A 70 17.191 -4.822 1.607 1.00 0.00 C ATOM 1054 CD1 LEU A 70 18.085 -5.917 2.162 1.00 0.00 C ATOM 1055 CD2 LEU A 70 17.996 -3.887 0.716 1.00 0.00 C ATOM 0 H LEU A 70 13.560 -5.975 0.261 1.00 0.00 H new ATOM 0 HA LEU A 70 15.057 -3.514 0.875 1.00 0.00 H new ATOM 0 HB2 LEU A 70 15.492 -6.130 1.514 1.00 0.00 H new ATOM 0 HB3 LEU A 70 16.394 -6.020 0.016 1.00 0.00 H new ATOM 0 HG LEU A 70 16.791 -4.236 2.434 1.00 0.00 H new ATOM 0 HD11 LEU A 70 18.922 -5.467 2.697 1.00 0.00 H new ATOM 0 HD12 LEU A 70 17.512 -6.543 2.846 1.00 0.00 H new ATOM 0 HD13 LEU A 70 18.464 -6.527 1.342 1.00 0.00 H new ATOM 0 HD21 LEU A 70 18.828 -3.470 1.284 1.00 0.00 H new ATOM 0 HD22 LEU A 70 18.382 -4.442 -0.139 1.00 0.00 H new ATOM 0 HD23 LEU A 70 17.355 -3.078 0.364 1.00 0.00 H new ATOM 1067 N CYS A 71 15.718 -2.923 -1.418 1.00 0.00 N ATOM 1068 CA CYS A 71 16.061 -2.477 -2.762 1.00 0.00 C ATOM 1069 C CYS A 71 17.249 -3.247 -3.334 1.00 0.00 C ATOM 1070 O CYS A 71 17.954 -3.937 -2.593 1.00 0.00 O ATOM 1071 CB CYS A 71 16.365 -0.980 -2.752 1.00 0.00 C ATOM 1072 SG CYS A 71 14.877 0.068 -2.851 1.00 0.00 S ATOM 0 H CYS A 71 15.866 -2.216 -0.698 1.00 0.00 H new ATOM 0 HA CYS A 71 15.202 -2.673 -3.404 1.00 0.00 H new ATOM 0 HB2 CYS A 71 16.912 -0.735 -1.841 1.00 0.00 H new ATOM 0 HB3 CYS A 71 17.021 -0.745 -3.590 1.00 0.00 H new ATOM 1077 N PRO A 72 17.442 -3.197 -4.671 1.00 0.00 N ATOM 1078 CA PRO A 72 18.603 -3.791 -5.341 1.00 0.00 C ATOM 1079 C PRO A 72 19.903 -3.596 -4.562 1.00 0.00 C ATOM 1080 O PRO A 72 20.598 -4.567 -4.251 1.00 0.00 O ATOM 1081 CB PRO A 72 18.638 -3.037 -6.664 1.00 0.00 C ATOM 1082 CG PRO A 72 17.200 -2.803 -6.974 1.00 0.00 C ATOM 1083 CD PRO A 72 16.519 -2.578 -5.648 1.00 0.00 C ATOM 0 HA PRO A 72 18.517 -4.873 -5.444 1.00 0.00 H new ATOM 0 HB2 PRO A 72 19.187 -2.099 -6.576 1.00 0.00 H new ATOM 0 HB3 PRO A 72 19.126 -3.620 -7.445 1.00 0.00 H new ATOM 0 HG2 PRO A 72 17.077 -1.939 -7.627 1.00 0.00 H new ATOM 0 HG3 PRO A 72 16.769 -3.659 -7.494 1.00 0.00 H new ATOM 0 HD2 PRO A 72 16.375 -1.516 -5.446 1.00 0.00 H new ATOM 0 HD3 PRO A 72 15.534 -3.044 -5.619 1.00 0.00 H new ATOM 1091 N LEU A 73 20.232 -2.348 -4.234 1.00 0.00 N ATOM 1092 CA LEU A 73 21.370 -2.091 -3.364 1.00 0.00 C ATOM 1093 C LEU A 73 20.988 -2.394 -1.934 1.00 0.00 C ATOM 1094 O LEU A 73 19.841 -2.224 -1.528 1.00 0.00 O ATOM 1095 CB LEU A 73 21.860 -0.648 -3.416 1.00 0.00 C ATOM 1096 CG LEU A 73 22.410 -0.132 -4.755 1.00 0.00 C ATOM 1097 CD1 LEU A 73 23.220 -1.201 -5.463 1.00 0.00 C ATOM 1098 CD2 LEU A 73 21.297 0.397 -5.648 1.00 0.00 C ATOM 0 H LEU A 73 19.736 -1.516 -4.552 1.00 0.00 H new ATOM 0 HA LEU A 73 22.176 -2.734 -3.719 1.00 0.00 H new ATOM 0 HB2 LEU A 73 21.034 -0.002 -3.121 1.00 0.00 H new ATOM 0 HB3 LEU A 73 22.641 -0.531 -2.664 1.00 0.00 H new ATOM 0 HG LEU A 73 23.078 0.701 -4.536 1.00 0.00 H new ATOM 0 HD11 LEU A 73 23.596 -0.807 -6.407 1.00 0.00 H new ATOM 0 HD12 LEU A 73 24.059 -1.498 -4.834 1.00 0.00 H new ATOM 0 HD13 LEU A 73 22.588 -2.067 -5.658 1.00 0.00 H new ATOM 0 HD21 LEU A 73 21.722 0.754 -6.586 1.00 0.00 H new ATOM 0 HD22 LEU A 73 20.584 -0.402 -5.853 1.00 0.00 H new ATOM 0 HD23 LEU A 73 20.787 1.219 -5.145 1.00 0.00 H new ATOM 1110 N LYS A 74 21.973 -2.778 -1.167 1.00 0.00 N ATOM 1111 CA LYS A 74 21.750 -3.227 0.197 1.00 0.00 C ATOM 1112 C LYS A 74 21.916 -2.081 1.184 1.00 0.00 C ATOM 1113 O LYS A 74 21.536 -2.196 2.346 1.00 0.00 O ATOM 1114 CB LYS A 74 22.705 -4.365 0.558 1.00 0.00 C ATOM 1115 CG LYS A 74 22.464 -5.651 -0.220 1.00 0.00 C ATOM 1116 CD LYS A 74 21.063 -6.196 0.012 1.00 0.00 C ATOM 1117 CE LYS A 74 20.884 -7.571 -0.612 1.00 0.00 C ATOM 1118 NZ LYS A 74 21.745 -8.594 0.040 1.00 0.00 N ATOM 0 H LYS A 74 22.950 -2.792 -1.460 1.00 0.00 H new ATOM 0 HA LYS A 74 20.726 -3.594 0.259 1.00 0.00 H new ATOM 0 HB2 LYS A 74 23.729 -4.034 0.384 1.00 0.00 H new ATOM 0 HB3 LYS A 74 22.615 -4.576 1.624 1.00 0.00 H new ATOM 0 HG2 LYS A 74 22.610 -5.465 -1.284 1.00 0.00 H new ATOM 0 HG3 LYS A 74 23.199 -6.399 0.077 1.00 0.00 H new ATOM 0 HD2 LYS A 74 20.868 -6.254 1.083 1.00 0.00 H new ATOM 0 HD3 LYS A 74 20.330 -5.507 -0.409 1.00 0.00 H new ATOM 0 HE2 LYS A 74 19.839 -7.872 -0.533 1.00 0.00 H new ATOM 0 HE3 LYS A 74 21.122 -7.521 -1.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 21.409 -9.544 -0.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 22.727 -8.477 -0.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 21.702 -8.477 1.073 1.00 0.00 H new ATOM 1132 N ARG A 75 22.513 -0.983 0.729 1.00 0.00 N ATOM 1133 CA ARG A 75 22.659 0.205 1.570 1.00 0.00 C ATOM 1134 C ARG A 75 21.461 1.120 1.386 1.00 0.00 C ATOM 1135 O ARG A 75 21.336 2.144 2.054 1.00 0.00 O ATOM 1136 CB ARG A 75 23.950 0.971 1.237 1.00 0.00 C ATOM 1137 CG ARG A 75 25.236 0.164 1.391 1.00 0.00 C ATOM 1138 CD ARG A 75 25.392 -0.427 2.786 1.00 0.00 C ATOM 1139 NE ARG A 75 24.426 -1.493 3.034 1.00 0.00 N ATOM 1140 CZ ARG A 75 24.424 -2.271 4.116 1.00 0.00 C ATOM 1141 NH1 ARG A 75 25.403 -2.182 5.008 1.00 0.00 N ATOM 1142 NH2 ARG A 75 23.446 -3.151 4.293 1.00 0.00 N ATOM 0 H ARG A 75 22.901 -0.889 -0.210 1.00 0.00 H new ATOM 0 HA ARG A 75 22.715 -0.123 2.608 1.00 0.00 H new ATOM 0 HB2 ARG A 75 23.886 1.332 0.211 1.00 0.00 H new ATOM 0 HB3 ARG A 75 24.010 1.849 1.880 1.00 0.00 H new ATOM 0 HG2 ARG A 75 25.246 -0.641 0.656 1.00 0.00 H new ATOM 0 HG3 ARG A 75 26.091 0.804 1.174 1.00 0.00 H new ATOM 0 HD2 ARG A 75 26.403 -0.818 2.904 1.00 0.00 H new ATOM 0 HD3 ARG A 75 25.265 0.359 3.530 1.00 0.00 H new ATOM 0 HE ARG A 75 23.704 -1.653 2.332 1.00 0.00 H new ATOM 0 HH11 ARG A 75 26.162 -1.515 4.867 1.00 0.00 H new ATOM 0 HH12 ARG A 75 25.396 -2.780 5.834 1.00 0.00 H new ATOM 0 HH21 ARG A 75 22.700 -3.230 3.602 1.00 0.00 H new ATOM 0 HH22 ARG A 75 23.441 -3.748 5.120 1.00 0.00 H new ATOM 1156 N TRP A 76 20.581 0.731 0.481 1.00 0.00 N ATOM 1157 CA TRP A 76 19.451 1.561 0.112 1.00 0.00 C ATOM 1158 C TRP A 76 18.172 1.043 0.739 1.00 0.00 C ATOM 1159 O TRP A 76 18.078 -0.128 1.117 1.00 0.00 O ATOM 1160 CB TRP A 76 19.290 1.591 -1.402 1.00 0.00 C ATOM 1161 CG TRP A 76 20.448 2.211 -2.125 1.00 0.00 C ATOM 1162 CD1 TRP A 76 21.774 2.034 -1.868 1.00 0.00 C ATOM 1163 CD2 TRP A 76 20.377 3.114 -3.227 1.00 0.00 C ATOM 1164 NE1 TRP A 76 22.527 2.733 -2.766 1.00 0.00 N ATOM 1165 CE2 TRP A 76 21.693 3.415 -3.605 1.00 0.00 C ATOM 1166 CE3 TRP A 76 19.327 3.690 -3.933 1.00 0.00 C ATOM 1167 CZ2 TRP A 76 21.983 4.263 -4.663 1.00 0.00 C ATOM 1168 CZ3 TRP A 76 19.611 4.542 -4.974 1.00 0.00 C ATOM 1169 CH2 TRP A 76 20.930 4.821 -5.334 1.00 0.00 C ATOM 0 H TRP A 76 20.629 -0.160 -0.014 1.00 0.00 H new ATOM 0 HA TRP A 76 19.643 2.569 0.479 1.00 0.00 H new ATOM 0 HB2 TRP A 76 19.153 0.572 -1.763 1.00 0.00 H new ATOM 0 HB3 TRP A 76 18.383 2.142 -1.650 1.00 0.00 H new ATOM 0 HD1 TRP A 76 22.172 1.427 -1.068 1.00 0.00 H new ATOM 0 HE1 TRP A 76 23.546 2.744 -2.804 1.00 0.00 H new ATOM 0 HE3 TRP A 76 18.303 3.471 -3.668 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 23.003 4.475 -4.947 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 18.801 5.002 -5.521 1.00 0.00 H new ATOM 0 HH2 TRP A 76 21.123 5.491 -6.159 1.00 0.00 H new ATOM 1180 N THR A 77 17.195 1.918 0.842 1.00 0.00 N ATOM 1181 CA THR A 77 15.910 1.564 1.406 1.00 0.00 C ATOM 1182 C THR A 77 14.793 1.808 0.391 1.00 0.00 C ATOM 1183 O THR A 77 14.842 2.778 -0.372 1.00 0.00 O ATOM 1184 CB THR A 77 15.646 2.388 2.677 1.00 0.00 C ATOM 1185 OG1 THR A 77 16.803 2.360 3.521 1.00 0.00 O ATOM 1186 CG2 THR A 77 14.453 1.838 3.437 1.00 0.00 C ATOM 0 H THR A 77 17.268 2.889 0.539 1.00 0.00 H new ATOM 0 HA THR A 77 15.926 0.505 1.662 1.00 0.00 H new ATOM 0 HB THR A 77 15.430 3.415 2.382 1.00 0.00 H new ATOM 0 HG1 THR A 77 16.631 2.888 4.329 1.00 0.00 H new ATOM 0 HG21 THR A 77 14.285 2.436 4.332 1.00 0.00 H new ATOM 0 HG22 THR A 77 13.568 1.878 2.802 1.00 0.00 H new ATOM 0 HG23 THR A 77 14.649 0.804 3.723 1.00 0.00 H new ATOM 1194 N CYS A 78 13.801 0.921 0.371 1.00 0.00 N ATOM 1195 CA CYS A 78 12.632 1.107 -0.477 1.00 0.00 C ATOM 1196 C CYS A 78 11.768 2.201 0.136 1.00 0.00 C ATOM 1197 O CYS A 78 11.245 2.045 1.236 1.00 0.00 O ATOM 1198 CB CYS A 78 11.840 -0.205 -0.610 1.00 0.00 C ATOM 1199 SG CYS A 78 10.560 -0.196 -1.916 1.00 0.00 S ATOM 0 H CYS A 78 13.785 0.069 0.932 1.00 0.00 H new ATOM 0 HA CYS A 78 12.944 1.400 -1.480 1.00 0.00 H new ATOM 0 HB2 CYS A 78 12.539 -1.017 -0.811 1.00 0.00 H new ATOM 0 HB3 CYS A 78 11.363 -0.424 0.345 1.00 0.00 H new ATOM 0 HG CYS A 78 10.211 -1.418 -2.190 1.00 0.00 H new ATOM 1204 N CYS A 79 11.661 3.318 -0.557 1.00 0.00 N ATOM 1205 CA CYS A 79 11.017 4.500 -0.006 1.00 0.00 C ATOM 1206 C CYS A 79 9.653 4.744 -0.626 1.00 0.00 C ATOM 1207 O CYS A 79 9.462 4.569 -1.832 1.00 0.00 O ATOM 1208 CB CYS A 79 11.919 5.711 -0.208 1.00 0.00 C ATOM 1209 SG CYS A 79 11.070 7.318 -0.102 1.00 0.00 S ATOM 0 H CYS A 79 12.013 3.434 -1.507 1.00 0.00 H new ATOM 0 HA CYS A 79 10.859 4.334 1.060 1.00 0.00 H new ATOM 0 HB2 CYS A 79 12.712 5.685 0.539 1.00 0.00 H new ATOM 0 HB3 CYS A 79 12.397 5.632 -1.184 1.00 0.00 H new ATOM 1214 N LYS A 80 8.718 5.175 0.210 1.00 0.00 N ATOM 1215 CA LYS A 80 7.344 5.361 -0.213 1.00 0.00 C ATOM 1216 C LYS A 80 7.148 6.738 -0.835 1.00 0.00 C ATOM 1217 O LYS A 80 6.960 7.723 -0.119 1.00 0.00 O ATOM 1218 CB LYS A 80 6.410 5.202 0.987 1.00 0.00 C ATOM 1219 CG LYS A 80 4.990 4.827 0.606 1.00 0.00 C ATOM 1220 CD LYS A 80 4.022 4.933 1.780 1.00 0.00 C ATOM 1221 CE LYS A 80 4.401 4.020 2.944 1.00 0.00 C ATOM 1222 NZ LYS A 80 5.419 4.627 3.845 1.00 0.00 N ATOM 0 H LYS A 80 8.891 5.402 1.189 1.00 0.00 H new ATOM 0 HA LYS A 80 7.110 4.607 -0.964 1.00 0.00 H new ATOM 0 HB2 LYS A 80 6.813 4.438 1.652 1.00 0.00 H new ATOM 0 HB3 LYS A 80 6.392 6.136 1.549 1.00 0.00 H new ATOM 0 HG2 LYS A 80 4.650 5.477 -0.200 1.00 0.00 H new ATOM 0 HG3 LYS A 80 4.978 3.808 0.220 1.00 0.00 H new ATOM 0 HD2 LYS A 80 3.993 5.965 2.129 1.00 0.00 H new ATOM 0 HD3 LYS A 80 3.017 4.683 1.440 1.00 0.00 H new ATOM 0 HE2 LYS A 80 3.507 3.784 3.521 1.00 0.00 H new ATOM 0 HE3 LYS A 80 4.785 3.079 2.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 6.286 4.052 3.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 5.636 5.592 3.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.047 4.662 4.816 1.00 0.00 H new ATOM 1236 N GLU A 81 7.193 6.782 -2.166 1.00 0.00 N ATOM 1237 CA GLU A 81 6.884 7.990 -2.941 1.00 0.00 C ATOM 1238 C GLU A 81 7.705 9.196 -2.487 1.00 0.00 C ATOM 1239 O GLU A 81 7.293 9.945 -1.600 1.00 0.00 O ATOM 1240 CB GLU A 81 5.389 8.312 -2.867 1.00 0.00 C ATOM 1241 CG GLU A 81 4.510 7.243 -3.496 1.00 0.00 C ATOM 1242 CD GLU A 81 3.029 7.536 -3.342 1.00 0.00 C ATOM 1243 OE1 GLU A 81 2.477 8.300 -4.165 1.00 0.00 O ATOM 1244 OE2 GLU A 81 2.408 7.003 -2.399 1.00 0.00 O ATOM 0 H GLU A 81 7.445 5.979 -2.742 1.00 0.00 H new ATOM 0 HA GLU A 81 7.155 7.781 -3.976 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.103 8.439 -1.823 1.00 0.00 H new ATOM 0 HB3 GLU A 81 5.205 9.263 -3.366 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.751 7.158 -4.556 1.00 0.00 H new ATOM 0 HG3 GLU A 81 4.735 6.279 -3.040 1.00 0.00 H new ATOM 1251 N ILE A 82 8.850 9.384 -3.128 1.00 0.00 N ATOM 1252 CA ILE A 82 9.768 10.471 -2.786 1.00 0.00 C ATOM 1253 C ILE A 82 9.075 11.823 -2.909 1.00 0.00 C ATOM 1254 O ILE A 82 8.773 12.229 -4.052 1.00 0.00 O ATOM 1255 CB ILE A 82 11.028 10.467 -3.684 1.00 0.00 C ATOM 1256 CG1 ILE A 82 11.764 9.128 -3.583 1.00 0.00 C ATOM 1257 CG2 ILE A 82 11.958 11.610 -3.298 1.00 0.00 C ATOM 1258 CD1 ILE A 82 12.993 9.043 -4.468 1.00 0.00 C ATOM 1259 OXT ILE A 82 8.841 12.473 -1.865 1.00 0.00 O ATOM 0 H ILE A 82 9.171 8.794 -3.895 1.00 0.00 H new ATOM 0 HA ILE A 82 10.077 10.308 -1.754 1.00 0.00 H new ATOM 0 HB ILE A 82 10.710 10.607 -4.717 1.00 0.00 H new ATOM 0 HG12 ILE A 82 12.060 8.963 -2.547 1.00 0.00 H new ATOM 0 HG13 ILE A 82 11.078 8.324 -3.850 1.00 0.00 H new ATOM 0 HG21 ILE A 82 12.840 11.594 -3.939 1.00 0.00 H new ATOM 0 HG22 ILE A 82 11.438 12.560 -3.421 1.00 0.00 H new ATOM 0 HG23 ILE A 82 12.263 11.495 -2.258 1.00 0.00 H new ATOM 0 HD11 ILE A 82 13.463 8.067 -4.345 1.00 0.00 H new ATOM 0 HD12 ILE A 82 12.701 9.176 -5.510 1.00 0.00 H new ATOM 0 HD13 ILE A 82 13.699 9.824 -4.186 1.00 0.00 H new TER 1271 ILE A 82