USER MOD reduce.3.24.130724 H: found=0, std=0, add=394, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 394 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 8 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 39 LYS NZ :NH3+ -149:sc= 0.139 (180deg=0) USER MOD Set 2.1: A 29 GLN : amide:sc= 0.385 K(o=0.82,f=-1.1) USER MOD Set 2.2: A 30 THR OG1 : rot -64:sc= 0.433 USER MOD Single : A 1 ASP N :NH3+ 169:sc= -3.44! (180deg=-3.56!) USER MOD Single : A 9 THR OG1 : rot 54:sc= 0.193 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 150:sc= -2.5! USER MOD Single : A 22 ASN : amide:sc= -1 K(o=-1,f=-0.0028) USER MOD Single : A 24 LYS NZ :NH3+ -112:sc= -6.2! (180deg=-7.58!) USER MOD Single : A 33 TYR OH : rot 176:sc= -1.37! USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -8.93! C(o=-8.9!,f=-13!) USER MOD Single : A 42 ASN : amide:sc= -4.34! C(o=-4.3!,f=-3.9!) USER MOD Single : A 44 LYS NZ :NH3+ -140:sc= -0.965 (180deg=-1.99) USER MOD Single : A 45 SER OG : rot 170:sc= -0.493 USER MOD Single : A 50 MET CE :methyl 173:sc= 0 (180deg=-0.0504) USER MOD Single : A 52 THR OG1 : rot -118:sc= 1.07 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -2.930 8.237 3.177 1.00 0.00 N ATOM 2 CA ASP A 1 -2.609 7.239 4.206 1.00 0.00 C ATOM 3 C ASP A 1 -3.498 6.046 4.041 1.00 0.00 C ATOM 4 O ASP A 1 -4.331 5.709 4.893 1.00 0.00 O ATOM 5 CB ASP A 1 -2.709 7.862 5.608 1.00 0.00 C ATOM 6 CG ASP A 1 -1.713 8.987 5.831 1.00 0.00 C ATOM 7 OD1 ASP A 1 -0.494 8.729 5.739 1.00 0.00 O ATOM 8 OD2 ASP A 1 -2.153 10.124 6.097 1.00 0.00 O ATOM 0 H1 ASP A 1 -2.450 9.132 3.400 1.00 0.00 H new ATOM 0 H2 ASP A 1 -2.609 7.894 2.249 1.00 0.00 H new ATOM 0 H3 ASP A 1 -3.958 8.392 3.152 1.00 0.00 H new ATOM 0 HA ASP A 1 -1.579 6.901 4.087 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -3.719 8.243 5.759 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -2.546 7.087 6.356 1.00 0.00 H new ATOM 15 N PHE A 2 -3.241 5.380 2.910 1.00 0.00 N ATOM 16 CA PHE A 2 -3.900 4.144 2.487 1.00 0.00 C ATOM 17 C PHE A 2 -5.393 4.067 2.861 1.00 0.00 C ATOM 18 O PHE A 2 -5.924 2.998 3.194 1.00 0.00 O ATOM 19 CB PHE A 2 -3.077 2.948 3.008 1.00 0.00 C ATOM 20 CG PHE A 2 -2.889 2.834 4.510 1.00 0.00 C ATOM 21 CD1 PHE A 2 -2.126 3.749 5.222 1.00 0.00 C ATOM 22 CD2 PHE A 2 -3.434 1.761 5.188 1.00 0.00 C ATOM 23 CE1 PHE A 2 -1.923 3.591 6.583 1.00 0.00 C ATOM 24 CE2 PHE A 2 -3.242 1.593 6.537 1.00 0.00 C ATOM 25 CZ PHE A 2 -2.482 2.508 7.242 1.00 0.00 C ATOM 0 H PHE A 2 -2.542 5.701 2.240 1.00 0.00 H new ATOM 0 HA PHE A 2 -3.919 4.120 1.397 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -3.553 2.032 2.657 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -2.090 2.991 2.547 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -1.686 4.592 4.710 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -4.024 1.038 4.645 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -1.331 4.310 7.129 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -3.683 0.749 7.046 1.00 0.00 H new ATOM 0 HZ PHE A 2 -2.325 2.379 8.303 1.00 0.00 H new ATOM 35 N CYS A 3 -6.053 5.230 2.782 1.00 0.00 N ATOM 36 CA CYS A 3 -7.474 5.363 3.085 1.00 0.00 C ATOM 37 C CYS A 3 -8.096 6.497 2.269 1.00 0.00 C ATOM 38 O CYS A 3 -9.247 6.391 1.859 1.00 0.00 O ATOM 39 CB CYS A 3 -7.693 5.574 4.583 1.00 0.00 C ATOM 40 SG CYS A 3 -7.202 4.132 5.583 1.00 0.00 S ATOM 0 H CYS A 3 -5.609 6.106 2.504 1.00 0.00 H new ATOM 0 HA CYS A 3 -7.973 4.435 2.804 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -7.125 6.446 4.909 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -8.745 5.793 4.764 1.00 0.00 H new ATOM 45 N LEU A 4 -7.326 7.575 2.006 1.00 0.00 N ATOM 46 CA LEU A 4 -7.819 8.702 1.200 1.00 0.00 C ATOM 47 C LEU A 4 -6.668 9.488 0.598 1.00 0.00 C ATOM 48 O LEU A 4 -6.695 9.864 -0.576 1.00 0.00 O ATOM 49 CB LEU A 4 -8.736 9.644 2.004 1.00 0.00 C ATOM 50 CG LEU A 4 -8.370 9.846 3.477 1.00 0.00 C ATOM 51 CD1 LEU A 4 -8.603 11.290 3.893 1.00 0.00 C ATOM 52 CD2 LEU A 4 -9.205 8.907 4.329 1.00 0.00 C ATOM 0 H LEU A 4 -6.368 7.684 2.339 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.414 8.269 0.396 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.740 10.618 1.515 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.754 9.257 1.953 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.313 9.623 3.620 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -8.337 11.414 4.943 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -7.985 11.949 3.282 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -9.654 11.544 3.752 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -8.950 9.045 5.380 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.263 9.125 4.181 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.003 7.876 4.039 1.00 0.00 H new ATOM 64 N GLU A 5 -5.663 9.716 1.428 1.00 0.00 N ATOM 65 CA GLU A 5 -4.464 10.443 1.063 1.00 0.00 C ATOM 66 C GLU A 5 -3.499 9.558 0.240 1.00 0.00 C ATOM 67 O GLU A 5 -3.642 8.332 0.253 1.00 0.00 O ATOM 68 CB GLU A 5 -3.810 10.918 2.348 1.00 0.00 C ATOM 69 CG GLU A 5 -4.392 12.217 2.892 1.00 0.00 C ATOM 70 CD GLU A 5 -3.733 12.663 4.185 1.00 0.00 C ATOM 71 OE1 GLU A 5 -3.847 11.936 5.194 1.00 0.00 O ATOM 72 OE2 GLU A 5 -3.103 13.741 4.186 1.00 0.00 O ATOM 0 H GLU A 5 -5.661 9.392 2.395 1.00 0.00 H new ATOM 0 HA GLU A 5 -4.718 11.293 0.430 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -3.912 10.140 3.105 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -2.743 11.055 2.172 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -4.280 13.001 2.143 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -5.461 12.088 3.061 1.00 0.00 H new ATOM 79 N PRO A 6 -2.514 10.156 -0.508 1.00 0.00 N ATOM 80 CA PRO A 6 -1.562 9.387 -1.344 1.00 0.00 C ATOM 81 C PRO A 6 -0.764 8.307 -0.571 1.00 0.00 C ATOM 82 O PRO A 6 0.125 8.636 0.223 1.00 0.00 O ATOM 83 CB PRO A 6 -0.618 10.462 -1.902 1.00 0.00 C ATOM 84 CG PRO A 6 -1.406 11.721 -1.851 1.00 0.00 C ATOM 85 CD PRO A 6 -2.263 11.615 -0.623 1.00 0.00 C ATOM 0 HA PRO A 6 -2.093 8.818 -2.107 1.00 0.00 H new ATOM 0 HB2 PRO A 6 0.291 10.539 -1.305 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -0.311 10.228 -2.921 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -0.751 12.591 -1.797 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -2.017 11.837 -2.746 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -1.754 12.007 0.258 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -3.191 12.176 -0.730 1.00 0.00 H new ATOM 93 N PRO A 7 -1.085 6.988 -0.791 1.00 0.00 N ATOM 94 CA PRO A 7 -0.407 5.854 -0.120 1.00 0.00 C ATOM 95 C PRO A 7 1.113 5.868 -0.309 1.00 0.00 C ATOM 96 O PRO A 7 1.623 6.494 -1.241 1.00 0.00 O ATOM 97 CB PRO A 7 -1.019 4.608 -0.771 1.00 0.00 C ATOM 98 CG PRO A 7 -1.723 5.089 -1.985 1.00 0.00 C ATOM 99 CD PRO A 7 -2.139 6.500 -1.696 1.00 0.00 C ATOM 0 HA PRO A 7 -0.553 5.895 0.959 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -0.247 3.883 -1.028 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.710 4.111 -0.090 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -1.070 5.047 -2.856 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -2.589 4.465 -2.205 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -2.195 7.097 -2.606 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -3.122 6.541 -1.227 1.00 0.00 H new ATOM 107 N TYR A 8 1.823 5.188 0.601 1.00 0.00 N ATOM 108 CA TYR A 8 3.284 5.120 0.578 1.00 0.00 C ATOM 109 C TYR A 8 3.816 4.265 -0.584 1.00 0.00 C ATOM 110 O TYR A 8 3.676 3.037 -0.591 1.00 0.00 O ATOM 111 CB TYR A 8 3.800 4.598 1.931 1.00 0.00 C ATOM 112 CG TYR A 8 3.727 5.623 3.056 1.00 0.00 C ATOM 113 CD1 TYR A 8 2.507 6.141 3.506 1.00 0.00 C ATOM 114 CD2 TYR A 8 4.890 6.083 3.661 1.00 0.00 C ATOM 115 CE1 TYR A 8 2.462 7.080 4.519 1.00 0.00 C ATOM 116 CE2 TYR A 8 4.847 7.019 4.677 1.00 0.00 C ATOM 117 CZ TYR A 8 3.633 7.514 5.101 1.00 0.00 C ATOM 118 OH TYR A 8 3.591 8.449 6.110 1.00 0.00 O ATOM 0 H TYR A 8 1.398 4.671 1.371 1.00 0.00 H new ATOM 0 HA TYR A 8 3.662 6.129 0.413 1.00 0.00 H new ATOM 0 HB2 TYR A 8 3.221 3.719 2.215 1.00 0.00 H new ATOM 0 HB3 TYR A 8 4.834 4.274 1.814 1.00 0.00 H new ATOM 0 HD1 TYR A 8 1.586 5.802 3.055 1.00 0.00 H new ATOM 0 HD2 TYR A 8 5.845 5.702 3.331 1.00 0.00 H new ATOM 0 HE1 TYR A 8 1.513 7.472 4.853 1.00 0.00 H new ATOM 0 HE2 TYR A 8 5.762 7.361 5.137 1.00 0.00 H new ATOM 0 HH TYR A 8 4.502 8.646 6.412 1.00 0.00 H new ATOM 128 N THR A 9 4.423 4.952 -1.571 1.00 0.00 N ATOM 129 CA THR A 9 4.992 4.312 -2.766 1.00 0.00 C ATOM 130 C THR A 9 6.204 5.103 -3.272 1.00 0.00 C ATOM 131 O THR A 9 6.094 5.926 -4.193 1.00 0.00 O ATOM 132 CB THR A 9 3.943 4.183 -3.889 1.00 0.00 C ATOM 133 OG1 THR A 9 3.281 5.417 -4.104 1.00 0.00 O ATOM 134 CG2 THR A 9 2.891 3.132 -3.625 1.00 0.00 C ATOM 0 H THR A 9 4.531 5.966 -1.559 1.00 0.00 H new ATOM 0 HA THR A 9 5.312 3.309 -2.482 1.00 0.00 H new ATOM 0 HB THR A 9 4.510 3.880 -4.769 1.00 0.00 H new ATOM 0 HG1 THR A 9 3.944 6.122 -4.258 1.00 0.00 H new ATOM 0 HG21 THR A 9 2.190 3.101 -4.459 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.369 2.158 -3.516 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.354 3.377 -2.709 1.00 0.00 H new ATOM 142 N GLY A 10 7.356 4.854 -2.651 1.00 0.00 N ATOM 143 CA GLY A 10 8.583 5.542 -3.029 1.00 0.00 C ATOM 144 C GLY A 10 9.815 4.996 -2.313 1.00 0.00 C ATOM 145 O GLY A 10 10.715 4.471 -2.976 1.00 0.00 O ATOM 0 H GLY A 10 7.462 4.185 -1.889 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.726 5.454 -4.106 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.481 6.604 -2.807 1.00 0.00 H new ATOM 149 N PRO A 11 9.901 5.107 -0.949 1.00 0.00 N ATOM 150 CA PRO A 11 11.061 4.616 -0.170 1.00 0.00 C ATOM 151 C PRO A 11 11.219 3.092 -0.203 1.00 0.00 C ATOM 152 O PRO A 11 10.361 2.382 -0.736 1.00 0.00 O ATOM 153 CB PRO A 11 10.751 5.070 1.270 1.00 0.00 C ATOM 154 CG PRO A 11 9.707 6.122 1.135 1.00 0.00 C ATOM 155 CD PRO A 11 8.893 5.727 -0.059 1.00 0.00 C ATOM 0 HA PRO A 11 11.993 5.006 -0.579 1.00 0.00 H new ATOM 0 HB2 PRO A 11 10.394 4.238 1.876 1.00 0.00 H new ATOM 0 HB3 PRO A 11 11.643 5.462 1.759 1.00 0.00 H new ATOM 0 HG2 PRO A 11 9.088 6.178 2.031 1.00 0.00 H new ATOM 0 HG3 PRO A 11 10.156 7.105 0.996 1.00 0.00 H new ATOM 0 HD2 PRO A 11 8.100 5.027 0.205 1.00 0.00 H new ATOM 0 HD3 PRO A 11 8.415 6.588 -0.526 1.00 0.00 H new ATOM 163 N CYS A 12 12.321 2.610 0.417 1.00 0.00 N ATOM 164 CA CYS A 12 12.660 1.181 0.548 1.00 0.00 C ATOM 165 C CYS A 12 13.032 0.504 -0.787 1.00 0.00 C ATOM 166 O CYS A 12 14.066 -0.166 -0.867 1.00 0.00 O ATOM 167 CB CYS A 12 11.509 0.442 1.232 1.00 0.00 C ATOM 168 SG CYS A 12 10.937 1.231 2.774 1.00 0.00 S ATOM 0 H CYS A 12 13.013 3.222 0.849 1.00 0.00 H new ATOM 0 HA CYS A 12 13.558 1.124 1.163 1.00 0.00 H new ATOM 0 HB2 CYS A 12 10.671 0.373 0.538 1.00 0.00 H new ATOM 0 HB3 CYS A 12 11.825 -0.578 1.453 1.00 0.00 H new ATOM 173 N ARG A 13 12.185 0.668 -1.819 1.00 0.00 N ATOM 174 CA ARG A 13 12.420 0.060 -3.136 1.00 0.00 C ATOM 175 C ARG A 13 11.956 0.990 -4.277 1.00 0.00 C ATOM 176 O ARG A 13 11.955 2.214 -4.121 1.00 0.00 O ATOM 177 CB ARG A 13 11.738 -1.342 -3.213 1.00 0.00 C ATOM 178 CG ARG A 13 10.240 -1.359 -2.882 1.00 0.00 C ATOM 179 CD ARG A 13 9.366 -1.104 -4.110 1.00 0.00 C ATOM 180 NE ARG A 13 8.111 -0.394 -3.803 1.00 0.00 N ATOM 181 CZ ARG A 13 8.010 0.917 -3.487 1.00 0.00 C ATOM 182 NH1 ARG A 13 9.089 1.685 -3.376 1.00 0.00 N ATOM 183 NH2 ARG A 13 6.814 1.446 -3.268 1.00 0.00 N ATOM 0 H ARG A 13 11.329 1.219 -1.763 1.00 0.00 H new ATOM 0 HA ARG A 13 13.493 -0.081 -3.265 1.00 0.00 H new ATOM 0 HB2 ARG A 13 11.876 -1.741 -4.218 1.00 0.00 H new ATOM 0 HB3 ARG A 13 12.253 -2.017 -2.529 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.978 -2.324 -2.448 1.00 0.00 H new ATOM 0 HG3 ARG A 13 10.030 -0.602 -2.127 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.934 -0.523 -4.836 1.00 0.00 H new ATOM 0 HD3 ARG A 13 9.128 -2.058 -4.581 1.00 0.00 H new ATOM 0 HE ARG A 13 7.248 -0.936 -3.831 1.00 0.00 H new ATOM 0 HH11 ARG A 13 10.016 1.288 -3.530 1.00 0.00 H new ATOM 0 HH12 ARG A 13 8.990 2.672 -3.137 1.00 0.00 H new ATOM 0 HH21 ARG A 13 5.979 0.865 -3.338 1.00 0.00 H new ATOM 0 HH22 ARG A 13 6.729 2.434 -3.029 1.00 0.00 H new ATOM 197 N ALA A 14 11.544 0.388 -5.409 1.00 0.00 N ATOM 198 CA ALA A 14 11.054 1.122 -6.570 1.00 0.00 C ATOM 199 C ALA A 14 9.560 1.442 -6.429 1.00 0.00 C ATOM 200 O ALA A 14 9.201 2.556 -6.035 1.00 0.00 O ATOM 201 CB ALA A 14 11.348 0.345 -7.852 1.00 0.00 C ATOM 0 H ALA A 14 11.545 -0.624 -5.535 1.00 0.00 H new ATOM 0 HA ALA A 14 11.582 2.074 -6.628 1.00 0.00 H new ATOM 0 HB1 ALA A 14 10.977 0.905 -8.710 1.00 0.00 H new ATOM 0 HB2 ALA A 14 12.424 0.200 -7.951 1.00 0.00 H new ATOM 0 HB3 ALA A 14 10.854 -0.626 -7.811 1.00 0.00 H new ATOM 207 N ALA A 15 8.695 0.454 -6.730 1.00 0.00 N ATOM 208 CA ALA A 15 7.232 0.605 -6.619 1.00 0.00 C ATOM 209 C ALA A 15 6.484 -0.715 -6.862 1.00 0.00 C ATOM 210 O ALA A 15 6.316 -1.133 -8.015 1.00 0.00 O ATOM 211 CB ALA A 15 6.708 1.686 -7.574 1.00 0.00 C ATOM 0 H ALA A 15 8.989 -0.467 -7.055 1.00 0.00 H new ATOM 0 HA ALA A 15 7.036 0.913 -5.592 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.627 1.772 -7.468 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.174 2.641 -7.333 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.951 1.413 -8.601 1.00 0.00 H new ATOM 217 N ILE A 16 6.001 -1.356 -5.775 1.00 0.00 N ATOM 218 CA ILE A 16 5.230 -2.600 -5.897 1.00 0.00 C ATOM 219 C ILE A 16 3.746 -2.223 -5.728 1.00 0.00 C ATOM 220 O ILE A 16 3.426 -1.407 -4.855 1.00 0.00 O ATOM 221 CB ILE A 16 5.684 -3.659 -4.844 1.00 0.00 C ATOM 222 CG1 ILE A 16 7.220 -3.781 -4.821 1.00 0.00 C ATOM 223 CG2 ILE A 16 5.063 -5.030 -5.135 1.00 0.00 C ATOM 224 CD1 ILE A 16 7.789 -4.127 -3.457 1.00 0.00 C ATOM 0 H ILE A 16 6.132 -1.033 -4.817 1.00 0.00 H new ATOM 0 HA ILE A 16 5.395 -3.063 -6.870 1.00 0.00 H new ATOM 0 HB ILE A 16 5.338 -3.320 -3.868 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.525 -4.546 -5.536 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.655 -2.840 -5.157 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.397 -5.747 -4.385 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.976 -4.951 -5.103 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.373 -5.368 -6.124 1.00 0.00 H new ATOM 0 HD11 ILE A 16 8.875 -4.195 -3.522 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.517 -3.351 -2.742 1.00 0.00 H new ATOM 0 HD13 ILE A 16 7.385 -5.084 -3.126 1.00 0.00 H new ATOM 236 N ILE A 17 2.861 -2.742 -6.599 1.00 0.00 N ATOM 237 CA ILE A 17 1.434 -2.358 -6.566 1.00 0.00 C ATOM 238 C ILE A 17 0.447 -3.504 -6.293 1.00 0.00 C ATOM 239 O ILE A 17 0.699 -4.681 -6.560 1.00 0.00 O ATOM 240 CB ILE A 17 1.067 -1.656 -7.914 1.00 0.00 C ATOM 241 CG1 ILE A 17 -0.220 -0.832 -7.839 1.00 0.00 C ATOM 242 CG2 ILE A 17 0.981 -2.643 -9.084 1.00 0.00 C ATOM 243 CD1 ILE A 17 0.027 0.608 -7.476 1.00 0.00 C ATOM 0 H ILE A 17 3.101 -3.418 -7.324 1.00 0.00 H new ATOM 0 HA ILE A 17 1.327 -1.687 -5.714 1.00 0.00 H new ATOM 0 HB ILE A 17 1.891 -0.967 -8.098 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.731 -0.877 -8.801 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.888 -1.278 -7.102 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.723 -2.105 -9.996 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.944 -3.138 -9.214 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.215 -3.389 -8.875 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -0.923 1.142 -7.438 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.511 0.659 -6.501 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.671 1.067 -8.226 1.00 0.00 H new ATOM 255 N ARG A 18 -0.705 -3.054 -5.790 1.00 0.00 N ATOM 256 CA ARG A 18 -1.890 -3.870 -5.455 1.00 0.00 C ATOM 257 C ARG A 18 -3.031 -2.917 -5.067 1.00 0.00 C ATOM 258 O ARG A 18 -3.118 -1.848 -5.648 1.00 0.00 O ATOM 259 CB ARG A 18 -1.639 -4.913 -4.346 1.00 0.00 C ATOM 260 CG ARG A 18 -2.482 -6.185 -4.466 1.00 0.00 C ATOM 261 CD ARG A 18 -1.958 -7.140 -5.539 1.00 0.00 C ATOM 262 NE ARG A 18 -0.651 -7.715 -5.189 1.00 0.00 N ATOM 263 CZ ARG A 18 0.032 -8.580 -5.953 1.00 0.00 C ATOM 264 NH1 ARG A 18 -0.448 -8.992 -7.126 1.00 0.00 N ATOM 265 NH2 ARG A 18 1.205 -9.037 -5.537 1.00 0.00 N ATOM 0 H ARG A 18 -0.851 -2.064 -5.593 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.153 -4.457 -6.335 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -0.585 -5.189 -4.357 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -1.838 -4.451 -3.379 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.497 -6.698 -3.504 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.512 -5.913 -4.699 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.678 -7.945 -5.688 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.875 -6.607 -6.486 1.00 0.00 H new ATOM 0 HE ARG A 18 -0.234 -7.436 -4.301 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -1.350 -8.649 -7.457 1.00 0.00 H new ATOM 0 HH12 ARG A 18 0.086 -9.650 -7.693 1.00 0.00 H new ATOM 0 HH21 ARG A 18 1.583 -8.730 -4.641 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.729 -9.695 -6.113 1.00 0.00 H new ATOM 279 N TYR A 19 -3.913 -3.295 -4.123 1.00 0.00 N ATOM 280 CA TYR A 19 -5.057 -2.440 -3.759 1.00 0.00 C ATOM 281 C TYR A 19 -4.885 -1.644 -2.461 1.00 0.00 C ATOM 282 O TYR A 19 -4.427 -2.170 -1.437 1.00 0.00 O ATOM 283 CB TYR A 19 -6.338 -3.296 -3.686 1.00 0.00 C ATOM 284 CG TYR A 19 -6.830 -3.870 -5.021 1.00 0.00 C ATOM 285 CD1 TYR A 19 -5.963 -4.116 -6.091 1.00 0.00 C ATOM 286 CD2 TYR A 19 -8.175 -4.174 -5.202 1.00 0.00 C ATOM 287 CE1 TYR A 19 -6.418 -4.636 -7.283 1.00 0.00 C ATOM 288 CE2 TYR A 19 -8.638 -4.698 -6.395 1.00 0.00 C ATOM 289 CZ TYR A 19 -7.758 -4.926 -7.432 1.00 0.00 C ATOM 290 OH TYR A 19 -8.219 -5.447 -8.619 1.00 0.00 O ATOM 0 H TYR A 19 -3.857 -4.173 -3.606 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.128 -1.690 -4.547 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -6.162 -4.123 -2.999 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -7.135 -2.689 -3.257 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -4.912 -3.893 -5.980 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -8.871 -3.997 -4.395 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -5.730 -4.815 -8.096 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -9.686 -4.928 -6.514 1.00 0.00 H new ATOM 0 HH TYR A 19 -9.186 -5.595 -8.558 1.00 0.00 H new ATOM 300 N PHE A 20 -5.309 -0.363 -2.542 1.00 0.00 N ATOM 301 CA PHE A 20 -5.281 0.584 -1.421 1.00 0.00 C ATOM 302 C PHE A 20 -6.686 1.212 -1.267 1.00 0.00 C ATOM 303 O PHE A 20 -7.561 0.952 -2.091 1.00 0.00 O ATOM 304 CB PHE A 20 -4.131 1.615 -1.649 1.00 0.00 C ATOM 305 CG PHE A 20 -4.450 2.995 -2.162 1.00 0.00 C ATOM 306 CD1 PHE A 20 -5.021 3.946 -1.345 1.00 0.00 C ATOM 307 CD2 PHE A 20 -4.144 3.336 -3.454 1.00 0.00 C ATOM 308 CE1 PHE A 20 -5.298 5.214 -1.822 1.00 0.00 C ATOM 309 CE2 PHE A 20 -4.409 4.596 -3.941 1.00 0.00 C ATOM 310 CZ PHE A 20 -4.992 5.537 -3.126 1.00 0.00 C ATOM 0 H PHE A 20 -5.683 0.040 -3.401 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.058 0.092 -0.474 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.609 1.734 -0.700 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.425 1.165 -2.347 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -5.255 3.698 -0.320 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.687 2.603 -4.102 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.753 5.949 -1.174 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -4.159 4.845 -4.962 1.00 0.00 H new ATOM 0 HZ PHE A 20 -5.209 6.524 -3.506 1.00 0.00 H new ATOM 320 N TYR A 21 -6.906 2.024 -0.225 1.00 0.00 N ATOM 321 CA TYR A 21 -8.209 2.670 -0.015 1.00 0.00 C ATOM 322 C TYR A 21 -8.104 4.156 -0.402 1.00 0.00 C ATOM 323 O TYR A 21 -7.332 4.893 0.206 1.00 0.00 O ATOM 324 CB TYR A 21 -8.645 2.543 1.461 1.00 0.00 C ATOM 325 CG TYR A 21 -10.137 2.713 1.678 1.00 0.00 C ATOM 326 CD1 TYR A 21 -11.012 1.662 1.445 1.00 0.00 C ATOM 327 CD2 TYR A 21 -10.666 3.924 2.096 1.00 0.00 C ATOM 328 CE1 TYR A 21 -12.373 1.813 1.622 1.00 0.00 C ATOM 329 CE2 TYR A 21 -12.027 4.085 2.277 1.00 0.00 C ATOM 330 CZ TYR A 21 -12.876 3.026 2.038 1.00 0.00 C ATOM 331 OH TYR A 21 -14.231 3.182 2.216 1.00 0.00 O ATOM 0 H TYR A 21 -6.205 2.248 0.481 1.00 0.00 H new ATOM 0 HA TYR A 21 -8.956 2.178 -0.638 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -8.342 1.565 1.836 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -8.114 3.290 2.052 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -10.622 0.709 1.119 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -10.004 4.756 2.284 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -13.040 0.984 1.435 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -12.423 5.035 2.604 1.00 0.00 H new ATOM 0 HH TYR A 21 -14.394 3.845 2.919 1.00 0.00 H new ATOM 341 N ASN A 22 -8.867 4.586 -1.414 1.00 0.00 N ATOM 342 CA ASN A 22 -8.844 5.986 -1.864 1.00 0.00 C ATOM 343 C ASN A 22 -10.246 6.597 -1.686 1.00 0.00 C ATOM 344 O ASN A 22 -10.988 6.768 -2.658 1.00 0.00 O ATOM 345 CB ASN A 22 -8.359 6.069 -3.315 1.00 0.00 C ATOM 346 CG ASN A 22 -8.088 7.492 -3.782 1.00 0.00 C ATOM 347 OD1 ASN A 22 -7.251 8.195 -3.215 1.00 0.00 O ATOM 348 ND2 ASN A 22 -8.799 7.920 -4.820 1.00 0.00 N ATOM 0 H ASN A 22 -9.507 3.988 -1.937 1.00 0.00 H new ATOM 0 HA ASN A 22 -8.143 6.562 -1.260 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -7.448 5.481 -3.420 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -9.107 5.617 -3.967 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -8.662 8.865 -5.177 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -9.482 7.303 -5.259 1.00 0.00 H new ATOM 355 N ALA A 23 -10.613 6.864 -0.414 1.00 0.00 N ATOM 356 CA ALA A 23 -11.945 7.384 -0.015 1.00 0.00 C ATOM 357 C ALA A 23 -12.343 8.749 -0.619 1.00 0.00 C ATOM 358 O ALA A 23 -13.036 9.554 0.017 1.00 0.00 O ATOM 359 CB ALA A 23 -12.038 7.427 1.508 1.00 0.00 C ATOM 0 H ALA A 23 -9.986 6.723 0.378 1.00 0.00 H new ATOM 0 HA ALA A 23 -12.666 6.684 -0.436 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -13.016 7.809 1.802 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -11.905 6.422 1.909 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.260 8.081 1.902 1.00 0.00 H new ATOM 365 N LYS A 24 -11.921 8.976 -1.851 1.00 0.00 N ATOM 366 CA LYS A 24 -12.228 10.196 -2.581 1.00 0.00 C ATOM 367 C LYS A 24 -12.805 9.910 -3.974 1.00 0.00 C ATOM 368 O LYS A 24 -13.803 10.519 -4.370 1.00 0.00 O ATOM 369 CB LYS A 24 -10.976 11.050 -2.714 1.00 0.00 C ATOM 370 CG LYS A 24 -10.927 12.233 -1.754 1.00 0.00 C ATOM 371 CD LYS A 24 -10.161 11.914 -0.475 1.00 0.00 C ATOM 372 CE LYS A 24 -8.666 12.181 -0.634 1.00 0.00 C ATOM 373 NZ LYS A 24 -7.981 12.340 0.677 1.00 0.00 N ATOM 0 H LYS A 24 -11.351 8.314 -2.378 1.00 0.00 H new ATOM 0 HA LYS A 24 -12.988 10.731 -2.012 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -10.101 10.422 -2.546 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -10.909 11.422 -3.736 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -10.459 13.082 -2.252 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -11.944 12.533 -1.500 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.554 12.516 0.345 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -10.318 10.869 -0.207 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.208 11.359 -1.184 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.521 13.082 -1.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.664 13.325 0.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.641 12.102 1.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.158 11.705 0.718 1.00 0.00 H new ATOM 387 N ALA A 25 -12.156 8.997 -4.713 1.00 0.00 N ATOM 388 CA ALA A 25 -12.574 8.636 -6.073 1.00 0.00 C ATOM 389 C ALA A 25 -13.596 7.504 -6.077 1.00 0.00 C ATOM 390 O ALA A 25 -14.767 7.706 -6.409 1.00 0.00 O ATOM 391 CB ALA A 25 -11.348 8.256 -6.895 1.00 0.00 C ATOM 0 H ALA A 25 -11.332 8.492 -4.386 1.00 0.00 H new ATOM 0 HA ALA A 25 -13.061 9.503 -6.520 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.656 7.988 -7.905 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.662 9.102 -6.938 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.848 7.406 -6.431 1.00 0.00 H new ATOM 397 N GLY A 26 -13.125 6.328 -5.698 1.00 0.00 N ATOM 398 CA GLY A 26 -13.956 5.138 -5.631 1.00 0.00 C ATOM 399 C GLY A 26 -13.772 4.424 -4.314 1.00 0.00 C ATOM 400 O GLY A 26 -14.374 3.376 -4.067 1.00 0.00 O ATOM 0 H GLY A 26 -12.154 6.171 -5.428 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -15.003 5.414 -5.756 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -13.703 4.466 -6.451 1.00 0.00 H new ATOM 404 N LEU A 27 -12.919 5.029 -3.466 1.00 0.00 N ATOM 405 CA LEU A 27 -12.574 4.544 -2.119 1.00 0.00 C ATOM 406 C LEU A 27 -11.627 3.338 -2.141 1.00 0.00 C ATOM 407 O LEU A 27 -11.068 2.973 -1.110 1.00 0.00 O ATOM 408 CB LEU A 27 -13.819 4.321 -1.249 1.00 0.00 C ATOM 409 CG LEU A 27 -14.592 5.614 -0.937 1.00 0.00 C ATOM 410 CD1 LEU A 27 -15.722 5.828 -1.936 1.00 0.00 C ATOM 411 CD2 LEU A 27 -15.129 5.591 0.485 1.00 0.00 C ATOM 0 H LEU A 27 -12.437 5.895 -3.708 1.00 0.00 H new ATOM 0 HA LEU A 27 -12.007 5.342 -1.639 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.485 3.622 -1.755 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -13.518 3.852 -0.312 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.899 6.450 -1.027 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -16.253 6.749 -1.693 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -15.309 5.902 -2.942 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -16.414 4.987 -1.888 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -15.672 6.515 0.684 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -15.801 4.742 0.606 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -14.299 5.500 1.186 1.00 0.00 H new ATOM 423 N CYS A 28 -11.414 2.764 -3.328 1.00 0.00 N ATOM 424 CA CYS A 28 -10.508 1.654 -3.517 1.00 0.00 C ATOM 425 C CYS A 28 -9.605 1.947 -4.702 1.00 0.00 C ATOM 426 O CYS A 28 -10.080 2.296 -5.788 1.00 0.00 O ATOM 427 CB CYS A 28 -11.296 0.386 -3.734 1.00 0.00 C ATOM 428 SG CYS A 28 -12.189 -0.199 -2.258 1.00 0.00 S ATOM 0 H CYS A 28 -11.875 3.068 -4.186 1.00 0.00 H new ATOM 0 HA CYS A 28 -9.888 1.519 -2.630 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -12.014 0.550 -4.538 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -10.617 -0.398 -4.069 1.00 0.00 H new ATOM 433 N GLN A 29 -8.297 1.866 -4.459 1.00 0.00 N ATOM 434 CA GLN A 29 -7.292 2.183 -5.464 1.00 0.00 C ATOM 435 C GLN A 29 -6.126 1.162 -5.485 1.00 0.00 C ATOM 436 O GLN A 29 -6.358 -0.038 -5.312 1.00 0.00 O ATOM 437 CB GLN A 29 -6.851 3.633 -5.221 1.00 0.00 C ATOM 438 CG GLN A 29 -7.003 4.551 -6.423 1.00 0.00 C ATOM 439 CD GLN A 29 -5.959 4.315 -7.505 1.00 0.00 C ATOM 440 OE1 GLN A 29 -5.876 3.229 -8.079 1.00 0.00 O ATOM 441 NE2 GLN A 29 -5.158 5.336 -7.785 1.00 0.00 N ATOM 0 H GLN A 29 -7.908 1.579 -3.561 1.00 0.00 H new ATOM 0 HA GLN A 29 -7.712 2.101 -6.467 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -7.431 4.041 -4.393 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -5.806 3.634 -4.910 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -7.996 4.414 -6.851 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.940 5.587 -6.089 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -5.262 6.218 -7.284 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -4.438 5.238 -8.501 1.00 0.00 H new ATOM 450 N THR A 30 -4.890 1.635 -5.751 1.00 0.00 N ATOM 451 CA THR A 30 -3.695 0.752 -5.867 1.00 0.00 C ATOM 452 C THR A 30 -2.395 1.388 -5.331 1.00 0.00 C ATOM 453 O THR A 30 -2.224 2.606 -5.421 1.00 0.00 O ATOM 454 CB THR A 30 -3.465 0.377 -7.346 1.00 0.00 C ATOM 455 OG1 THR A 30 -3.388 1.539 -8.155 1.00 0.00 O ATOM 456 CG2 THR A 30 -4.536 -0.522 -7.936 1.00 0.00 C ATOM 0 H THR A 30 -4.687 2.625 -5.891 1.00 0.00 H new ATOM 0 HA THR A 30 -3.913 -0.123 -5.254 1.00 0.00 H new ATOM 0 HB THR A 30 -2.525 -0.175 -7.345 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.248 2.008 -8.137 1.00 0.00 H new ATOM 0 HG21 THR A 30 -4.297 -0.737 -8.978 1.00 0.00 H new ATOM 0 HG22 THR A 30 -4.578 -1.455 -7.374 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.502 -0.021 -7.881 1.00 0.00 H new ATOM 464 N PHE A 31 -1.449 0.542 -4.811 1.00 0.00 N ATOM 465 CA PHE A 31 -0.124 1.049 -4.295 1.00 0.00 C ATOM 466 C PHE A 31 0.827 -0.043 -3.726 1.00 0.00 C ATOM 467 O PHE A 31 2.001 0.241 -3.480 1.00 0.00 O ATOM 468 CB PHE A 31 -0.334 2.056 -3.113 1.00 0.00 C ATOM 469 CG PHE A 31 -0.482 1.373 -1.764 1.00 0.00 C ATOM 470 CD1 PHE A 31 -1.457 0.410 -1.562 1.00 0.00 C ATOM 471 CD2 PHE A 31 0.378 1.672 -0.722 1.00 0.00 C ATOM 472 CE1 PHE A 31 -1.578 -0.238 -0.362 1.00 0.00 C ATOM 473 CE2 PHE A 31 0.259 1.031 0.494 1.00 0.00 C ATOM 474 CZ PHE A 31 -0.720 0.073 0.674 1.00 0.00 C ATOM 0 H PHE A 31 -1.570 -0.468 -4.737 1.00 0.00 H new ATOM 0 HA PHE A 31 0.331 1.497 -5.178 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.512 2.743 -3.075 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.223 2.656 -3.309 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.135 0.166 -2.367 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.150 2.414 -0.862 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.342 -0.990 -0.226 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.930 1.278 1.304 1.00 0.00 H new ATOM 0 HZ PHE A 31 -0.814 -0.432 1.624 1.00 0.00 H new ATOM 484 N VAL A 32 0.252 -1.203 -3.370 1.00 0.00 N ATOM 485 CA VAL A 32 0.944 -2.301 -2.617 1.00 0.00 C ATOM 486 C VAL A 32 1.817 -1.746 -1.491 1.00 0.00 C ATOM 487 O VAL A 32 1.379 -1.710 -0.338 1.00 0.00 O ATOM 488 CB VAL A 32 1.742 -3.384 -3.433 1.00 0.00 C ATOM 489 CG1 VAL A 32 3.106 -3.703 -2.825 1.00 0.00 C ATOM 490 CG2 VAL A 32 0.982 -4.686 -3.459 1.00 0.00 C ATOM 0 H VAL A 32 -0.719 -1.423 -3.593 1.00 0.00 H new ATOM 0 HA VAL A 32 0.094 -2.861 -2.226 1.00 0.00 H new ATOM 0 HB VAL A 32 1.873 -2.959 -4.428 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.608 -4.456 -3.432 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.712 -2.798 -2.796 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.973 -4.083 -1.812 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.546 -5.425 -4.027 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.838 -5.044 -2.439 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.011 -4.531 -3.929 1.00 0.00 H new ATOM 500 N TYR A 33 3.075 -1.387 -1.839 1.00 0.00 N ATOM 501 CA TYR A 33 4.073 -0.917 -0.862 1.00 0.00 C ATOM 502 C TYR A 33 5.522 -0.851 -1.410 1.00 0.00 C ATOM 503 O TYR A 33 5.773 -1.063 -2.613 1.00 0.00 O ATOM 504 CB TYR A 33 3.947 -1.875 0.337 1.00 0.00 C ATOM 505 CG TYR A 33 5.074 -2.810 0.629 1.00 0.00 C ATOM 506 CD1 TYR A 33 5.268 -3.926 -0.148 1.00 0.00 C ATOM 507 CD2 TYR A 33 5.883 -2.607 1.704 1.00 0.00 C ATOM 508 CE1 TYR A 33 6.265 -4.827 0.148 1.00 0.00 C ATOM 509 CE2 TYR A 33 6.868 -3.490 2.023 1.00 0.00 C ATOM 510 CZ TYR A 33 7.064 -4.609 1.245 1.00 0.00 C ATOM 511 OH TYR A 33 8.059 -5.505 1.564 1.00 0.00 O ATOM 0 H TYR A 33 3.420 -1.416 -2.798 1.00 0.00 H new ATOM 0 HA TYR A 33 3.871 0.118 -0.588 1.00 0.00 H new ATOM 0 HB2 TYR A 33 3.781 -1.269 1.228 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.050 -2.475 0.188 1.00 0.00 H new ATOM 0 HD1 TYR A 33 4.630 -4.098 -1.002 1.00 0.00 H new ATOM 0 HD2 TYR A 33 5.741 -1.728 2.316 1.00 0.00 H new ATOM 0 HE1 TYR A 33 6.418 -5.696 -0.475 1.00 0.00 H new ATOM 0 HE2 TYR A 33 7.495 -3.313 2.885 1.00 0.00 H new ATOM 0 HH TYR A 33 8.570 -5.167 2.329 1.00 0.00 H new ATOM 521 N GLY A 34 6.451 -0.577 -0.465 1.00 0.00 N ATOM 522 CA GLY A 34 7.870 -0.496 -0.724 1.00 0.00 C ATOM 523 C GLY A 34 8.680 -1.240 0.331 1.00 0.00 C ATOM 524 O GLY A 34 8.730 -0.807 1.482 1.00 0.00 O ATOM 0 H GLY A 34 6.210 -0.406 0.511 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.084 -0.913 -1.708 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.176 0.550 -0.747 1.00 0.00 H new ATOM 528 N GLY A 35 9.296 -2.369 -0.090 1.00 0.00 N ATOM 529 CA GLY A 35 10.127 -3.259 0.760 1.00 0.00 C ATOM 530 C GLY A 35 10.479 -2.762 2.166 1.00 0.00 C ATOM 531 O GLY A 35 11.619 -2.366 2.420 1.00 0.00 O ATOM 0 H GLY A 35 9.228 -2.696 -1.054 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.607 -4.212 0.860 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.058 -3.458 0.230 1.00 0.00 H new ATOM 535 N CYS A 36 9.488 -2.813 3.072 1.00 0.00 N ATOM 536 CA CYS A 36 9.644 -2.399 4.475 1.00 0.00 C ATOM 537 C CYS A 36 8.541 -3.051 5.344 1.00 0.00 C ATOM 538 O CYS A 36 8.368 -4.272 5.269 1.00 0.00 O ATOM 539 CB CYS A 36 9.673 -0.859 4.586 1.00 0.00 C ATOM 540 SG CYS A 36 11.309 -0.142 4.220 1.00 0.00 S ATOM 0 H CYS A 36 8.550 -3.145 2.849 1.00 0.00 H new ATOM 0 HA CYS A 36 10.601 -2.752 4.859 1.00 0.00 H new ATOM 0 HB2 CYS A 36 8.938 -0.438 3.900 1.00 0.00 H new ATOM 0 HB3 CYS A 36 9.373 -0.568 5.593 1.00 0.00 H new ATOM 545 N ARG A 37 7.799 -2.271 6.166 1.00 0.00 N ATOM 546 CA ARG A 37 6.742 -2.836 7.017 1.00 0.00 C ATOM 547 C ARG A 37 5.387 -2.866 6.295 1.00 0.00 C ATOM 548 O ARG A 37 4.322 -2.930 6.921 1.00 0.00 O ATOM 549 CB ARG A 37 6.665 -2.088 8.371 1.00 0.00 C ATOM 550 CG ARG A 37 5.937 -0.743 8.340 1.00 0.00 C ATOM 551 CD ARG A 37 6.883 0.432 8.525 1.00 0.00 C ATOM 552 NE ARG A 37 7.738 0.654 7.356 1.00 0.00 N ATOM 553 CZ ARG A 37 8.576 1.695 7.218 1.00 0.00 C ATOM 554 NH1 ARG A 37 8.698 2.610 8.179 1.00 0.00 N ATOM 555 NH2 ARG A 37 9.297 1.821 6.114 1.00 0.00 N ATOM 0 H ARG A 37 7.916 -1.261 6.253 1.00 0.00 H new ATOM 0 HA ARG A 37 7.002 -3.873 7.231 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.168 -2.734 9.095 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.680 -1.924 8.734 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.413 -0.638 7.390 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.181 -0.724 9.125 1.00 0.00 H new ATOM 0 HD2 ARG A 37 6.303 1.333 8.723 1.00 0.00 H new ATOM 0 HD3 ARG A 37 7.508 0.256 9.400 1.00 0.00 H new ATOM 0 HE ARG A 37 7.694 -0.026 6.597 1.00 0.00 H new ATOM 0 HH11 ARG A 37 8.150 2.526 9.036 1.00 0.00 H new ATOM 0 HH12 ARG A 37 9.339 3.394 8.058 1.00 0.00 H new ATOM 0 HH21 ARG A 37 9.216 1.128 5.370 1.00 0.00 H new ATOM 0 HH22 ARG A 37 9.934 2.611 6.008 1.00 0.00 H new ATOM 569 N ALA A 38 5.466 -2.825 4.961 1.00 0.00 N ATOM 570 CA ALA A 38 4.305 -2.841 4.043 1.00 0.00 C ATOM 571 C ALA A 38 3.182 -1.855 4.447 1.00 0.00 C ATOM 572 O ALA A 38 2.019 -2.019 4.057 1.00 0.00 O ATOM 573 CB ALA A 38 3.782 -4.267 3.861 1.00 0.00 C ATOM 0 H ALA A 38 6.359 -2.778 4.470 1.00 0.00 H new ATOM 0 HA ALA A 38 4.663 -2.481 3.078 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.929 -4.258 3.183 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.570 -4.893 3.444 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.474 -4.667 4.827 1.00 0.00 H new ATOM 579 N LYS A 39 3.568 -0.816 5.229 1.00 0.00 N ATOM 580 CA LYS A 39 2.682 0.250 5.732 1.00 0.00 C ATOM 581 C LYS A 39 1.325 -0.282 6.262 1.00 0.00 C ATOM 582 O LYS A 39 0.306 0.419 6.234 1.00 0.00 O ATOM 583 CB LYS A 39 2.533 1.343 4.645 1.00 0.00 C ATOM 584 CG LYS A 39 1.838 2.638 5.093 1.00 0.00 C ATOM 585 CD LYS A 39 2.675 3.428 6.096 1.00 0.00 C ATOM 586 CE LYS A 39 1.880 4.570 6.706 1.00 0.00 C ATOM 587 NZ LYS A 39 2.688 5.348 7.685 1.00 0.00 N ATOM 0 H LYS A 39 4.535 -0.698 5.533 1.00 0.00 H new ATOM 0 HA LYS A 39 3.145 0.701 6.610 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.525 1.596 4.271 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.975 0.923 3.808 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.637 3.260 4.221 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.874 2.395 5.540 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.022 2.762 6.886 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.561 3.824 5.600 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.532 5.233 5.914 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.994 4.172 7.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.065 5.728 8.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.401 4.727 8.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.163 6.133 7.196 1.00 0.00 H new ATOM 601 N SER A 40 1.346 -1.529 6.788 1.00 0.00 N ATOM 602 CA SER A 40 0.161 -2.205 7.385 1.00 0.00 C ATOM 603 C SER A 40 -0.978 -2.498 6.380 1.00 0.00 C ATOM 604 O SER A 40 -1.717 -3.470 6.564 1.00 0.00 O ATOM 605 CB SER A 40 -0.378 -1.395 8.576 1.00 0.00 C ATOM 606 OG SER A 40 -1.406 -2.092 9.262 1.00 0.00 O ATOM 0 H SER A 40 2.190 -2.102 6.812 1.00 0.00 H new ATOM 0 HA SER A 40 0.519 -3.177 7.724 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.437 -1.177 9.266 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.761 -0.438 8.222 1.00 0.00 H new ATOM 0 HG SER A 40 -1.724 -1.549 10.013 1.00 0.00 H new ATOM 612 N ASN A 41 -1.117 -1.667 5.330 1.00 0.00 N ATOM 613 CA ASN A 41 -2.164 -1.844 4.310 1.00 0.00 C ATOM 614 C ASN A 41 -1.823 -3.032 3.395 1.00 0.00 C ATOM 615 O ASN A 41 -1.394 -4.085 3.875 1.00 0.00 O ATOM 616 CB ASN A 41 -2.317 -0.541 3.502 1.00 0.00 C ATOM 617 CG ASN A 41 -3.686 -0.395 2.826 1.00 0.00 C ATOM 618 OD1 ASN A 41 -4.715 -0.746 3.399 1.00 0.00 O ATOM 619 ND2 ASN A 41 -3.705 0.177 1.625 1.00 0.00 N ATOM 0 H ASN A 41 -0.512 -0.862 5.167 1.00 0.00 H new ATOM 0 HA ASN A 41 -3.114 -2.064 4.796 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -2.156 0.309 4.165 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -1.539 -0.502 2.740 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -4.594 0.337 1.150 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -2.831 0.456 1.179 1.00 0.00 H new ATOM 626 N ASN A 42 -2.005 -2.828 2.080 1.00 0.00 N ATOM 627 CA ASN A 42 -1.717 -3.816 1.023 1.00 0.00 C ATOM 628 C ASN A 42 -2.779 -4.930 0.994 1.00 0.00 C ATOM 629 O ASN A 42 -2.655 -5.948 1.687 1.00 0.00 O ATOM 630 CB ASN A 42 -0.286 -4.373 1.213 1.00 0.00 C ATOM 631 CG ASN A 42 0.183 -5.343 0.135 1.00 0.00 C ATOM 632 OD1 ASN A 42 -0.516 -6.290 -0.223 1.00 0.00 O ATOM 633 ND2 ASN A 42 1.394 -5.121 -0.359 1.00 0.00 N ATOM 0 H ASN A 42 -2.366 -1.948 1.711 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.764 -3.325 0.051 1.00 0.00 H new ATOM 0 HB2 ASN A 42 0.410 -3.535 1.253 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.235 -4.876 2.179 1.00 0.00 H new ATOM 0 HD21 ASN A 42 1.780 -5.748 -1.065 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.939 -4.323 -0.033 1.00 0.00 H new ATOM 640 N PHE A 43 -3.821 -4.720 0.173 1.00 0.00 N ATOM 641 CA PHE A 43 -4.903 -5.691 0.025 1.00 0.00 C ATOM 642 C PHE A 43 -5.232 -5.883 -1.457 1.00 0.00 C ATOM 643 O PHE A 43 -4.425 -5.501 -2.308 1.00 0.00 O ATOM 644 CB PHE A 43 -6.134 -5.291 0.842 1.00 0.00 C ATOM 645 CG PHE A 43 -5.840 -5.050 2.303 1.00 0.00 C ATOM 646 CD1 PHE A 43 -5.350 -3.827 2.740 1.00 0.00 C ATOM 647 CD2 PHE A 43 -6.026 -6.060 3.232 1.00 0.00 C ATOM 648 CE1 PHE A 43 -5.055 -3.622 4.073 1.00 0.00 C ATOM 649 CE2 PHE A 43 -5.736 -5.856 4.567 1.00 0.00 C ATOM 650 CZ PHE A 43 -5.249 -4.636 4.988 1.00 0.00 C ATOM 0 H PHE A 43 -3.931 -3.882 -0.398 1.00 0.00 H new ATOM 0 HA PHE A 43 -4.569 -6.649 0.424 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -6.566 -4.387 0.413 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -6.887 -6.075 0.756 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -5.198 -3.028 2.030 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -6.403 -7.019 2.909 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.672 -2.667 4.400 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -5.890 -6.651 5.281 1.00 0.00 H new ATOM 0 HZ PHE A 43 -5.020 -4.475 6.031 1.00 0.00 H new ATOM 660 N LYS A 44 -6.392 -6.492 -1.787 1.00 0.00 N ATOM 661 CA LYS A 44 -6.730 -6.729 -3.216 1.00 0.00 C ATOM 662 C LYS A 44 -8.226 -7.021 -3.484 1.00 0.00 C ATOM 663 O LYS A 44 -8.560 -7.635 -4.507 1.00 0.00 O ATOM 664 CB LYS A 44 -5.866 -7.883 -3.765 1.00 0.00 C ATOM 665 CG LYS A 44 -5.679 -7.871 -5.281 1.00 0.00 C ATOM 666 CD LYS A 44 -4.867 -9.070 -5.755 1.00 0.00 C ATOM 667 CE LYS A 44 -4.776 -9.133 -7.276 1.00 0.00 C ATOM 668 NZ LYS A 44 -3.986 -8.004 -7.848 1.00 0.00 N ATOM 0 H LYS A 44 -7.088 -6.819 -1.117 1.00 0.00 H new ATOM 0 HA LYS A 44 -6.515 -5.795 -3.735 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.885 -7.843 -3.291 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.321 -8.830 -3.476 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -6.654 -7.875 -5.769 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.178 -6.950 -5.579 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.863 -9.017 -5.334 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.322 -9.987 -5.381 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.319 -10.078 -7.571 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.781 -9.119 -7.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.444 -7.666 -8.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.939 -7.228 -7.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.023 -8.330 -8.068 1.00 0.00 H new ATOM 682 N SER A 45 -9.134 -6.578 -2.604 1.00 0.00 N ATOM 683 CA SER A 45 -10.576 -6.814 -2.827 1.00 0.00 C ATOM 684 C SER A 45 -11.442 -5.788 -2.098 1.00 0.00 C ATOM 685 O SER A 45 -10.955 -5.051 -1.236 1.00 0.00 O ATOM 686 CB SER A 45 -10.965 -8.244 -2.399 1.00 0.00 C ATOM 687 OG SER A 45 -12.319 -8.533 -2.712 1.00 0.00 O ATOM 0 H SER A 45 -8.909 -6.067 -1.751 1.00 0.00 H new ATOM 0 HA SER A 45 -10.761 -6.701 -3.895 1.00 0.00 H new ATOM 0 HB2 SER A 45 -10.314 -8.963 -2.897 1.00 0.00 H new ATOM 0 HB3 SER A 45 -10.806 -8.359 -1.327 1.00 0.00 H new ATOM 0 HG SER A 45 -12.489 -9.489 -2.579 1.00 0.00 H new ATOM 693 N ALA A 46 -12.744 -5.761 -2.452 1.00 0.00 N ATOM 694 CA ALA A 46 -13.718 -4.851 -1.846 1.00 0.00 C ATOM 695 C ALA A 46 -13.924 -5.168 -0.368 1.00 0.00 C ATOM 696 O ALA A 46 -14.077 -4.264 0.459 1.00 0.00 O ATOM 697 CB ALA A 46 -15.041 -4.912 -2.595 1.00 0.00 C ATOM 0 H ALA A 46 -13.142 -6.372 -3.166 1.00 0.00 H new ATOM 0 HA ALA A 46 -13.323 -3.838 -1.919 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -15.753 -4.230 -2.131 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.885 -4.622 -3.634 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -15.434 -5.928 -2.557 1.00 0.00 H new ATOM 703 N GLU A 47 -13.884 -6.467 -0.054 1.00 0.00 N ATOM 704 CA GLU A 47 -14.020 -6.966 1.307 1.00 0.00 C ATOM 705 C GLU A 47 -12.830 -6.520 2.163 1.00 0.00 C ATOM 706 O GLU A 47 -12.990 -6.123 3.318 1.00 0.00 O ATOM 707 CB GLU A 47 -14.168 -8.500 1.289 1.00 0.00 C ATOM 708 CG GLU A 47 -13.052 -9.258 0.566 1.00 0.00 C ATOM 709 CD GLU A 47 -13.255 -10.763 0.583 1.00 0.00 C ATOM 710 OE1 GLU A 47 -13.260 -11.353 1.685 1.00 0.00 O ATOM 711 OE2 GLU A 47 -13.408 -11.352 -0.507 1.00 0.00 O ATOM 0 H GLU A 47 -13.755 -7.203 -0.748 1.00 0.00 H new ATOM 0 HA GLU A 47 -14.919 -6.546 1.758 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -14.218 -8.855 2.318 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -15.119 -8.751 0.819 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -12.997 -8.915 -0.467 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -12.096 -9.020 1.032 1.00 0.00 H new ATOM 718 N ASP A 48 -11.651 -6.553 1.531 1.00 0.00 N ATOM 719 CA ASP A 48 -10.384 -6.130 2.117 1.00 0.00 C ATOM 720 C ASP A 48 -10.393 -4.626 2.363 1.00 0.00 C ATOM 721 O ASP A 48 -10.254 -4.138 3.483 1.00 0.00 O ATOM 722 CB ASP A 48 -9.267 -6.451 1.143 1.00 0.00 C ATOM 723 CG ASP A 48 -9.000 -7.939 0.975 1.00 0.00 C ATOM 724 OD1 ASP A 48 -8.805 -8.630 1.995 1.00 0.00 O ATOM 725 OD2 ASP A 48 -8.972 -8.409 -0.180 1.00 0.00 O ATOM 0 H ASP A 48 -11.555 -6.885 0.571 1.00 0.00 H new ATOM 0 HA ASP A 48 -10.236 -6.650 3.063 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -9.513 -6.025 0.171 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -8.352 -5.964 1.482 1.00 0.00 H new ATOM 730 N CYS A 49 -10.586 -3.922 1.258 1.00 0.00 N ATOM 731 CA CYS A 49 -10.672 -2.470 1.186 1.00 0.00 C ATOM 732 C CYS A 49 -11.633 -1.912 2.251 1.00 0.00 C ATOM 733 O CYS A 49 -11.352 -0.891 2.895 1.00 0.00 O ATOM 734 CB CYS A 49 -11.187 -2.166 -0.209 1.00 0.00 C ATOM 735 SG CYS A 49 -10.728 -0.542 -0.890 1.00 0.00 S ATOM 0 H CYS A 49 -10.692 -4.366 0.346 1.00 0.00 H new ATOM 0 HA CYS A 49 -9.704 -2.006 1.376 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -10.822 -2.938 -0.886 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -12.274 -2.239 -0.198 1.00 0.00 H new ATOM 740 N MET A 50 -12.756 -2.628 2.431 1.00 0.00 N ATOM 741 CA MET A 50 -13.784 -2.274 3.402 1.00 0.00 C ATOM 742 C MET A 50 -13.341 -2.541 4.845 1.00 0.00 C ATOM 743 O MET A 50 -13.479 -1.666 5.702 1.00 0.00 O ATOM 744 CB MET A 50 -15.065 -3.030 3.089 1.00 0.00 C ATOM 745 CG MET A 50 -15.912 -2.384 2.000 1.00 0.00 C ATOM 746 SD MET A 50 -17.437 -3.294 1.649 1.00 0.00 S ATOM 747 CE MET A 50 -18.428 -2.928 3.100 1.00 0.00 C ATOM 0 H MET A 50 -12.969 -3.472 1.900 1.00 0.00 H new ATOM 0 HA MET A 50 -13.962 -1.202 3.321 1.00 0.00 H new ATOM 0 HB2 MET A 50 -14.811 -4.045 2.784 1.00 0.00 H new ATOM 0 HB3 MET A 50 -15.660 -3.110 3.999 1.00 0.00 H new ATOM 0 HG2 MET A 50 -16.164 -1.367 2.300 1.00 0.00 H new ATOM 0 HG3 MET A 50 -15.322 -2.310 1.086 1.00 0.00 H new ATOM 0 HE1 MET A 50 -19.435 -3.321 2.961 1.00 0.00 H new ATOM 0 HE2 MET A 50 -17.975 -3.392 3.976 1.00 0.00 H new ATOM 0 HE3 MET A 50 -18.476 -1.849 3.245 1.00 0.00 H new ATOM 757 N ARG A 51 -12.798 -3.746 5.110 1.00 0.00 N ATOM 758 CA ARG A 51 -12.333 -4.109 6.460 1.00 0.00 C ATOM 759 C ARG A 51 -11.175 -3.225 6.937 1.00 0.00 C ATOM 760 O ARG A 51 -10.985 -3.029 8.141 1.00 0.00 O ATOM 761 CB ARG A 51 -11.955 -5.602 6.563 1.00 0.00 C ATOM 762 CG ARG A 51 -11.044 -6.174 5.472 1.00 0.00 C ATOM 763 CD ARG A 51 -9.563 -5.866 5.697 1.00 0.00 C ATOM 764 NE ARG A 51 -8.678 -6.685 4.843 1.00 0.00 N ATOM 765 CZ ARG A 51 -8.299 -7.947 5.126 1.00 0.00 C ATOM 766 NH1 ARG A 51 -8.736 -8.565 6.221 1.00 0.00 N ATOM 767 NH2 ARG A 51 -7.479 -8.589 4.307 1.00 0.00 N ATOM 0 H ARG A 51 -12.672 -4.478 4.411 1.00 0.00 H new ATOM 0 HA ARG A 51 -13.178 -3.931 7.125 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -11.469 -5.761 7.526 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -12.877 -6.183 6.571 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -11.180 -7.254 5.424 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -11.349 -5.772 4.506 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -9.380 -4.810 5.497 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -9.314 -6.039 6.744 1.00 0.00 H new ATOM 0 HE ARG A 51 -8.330 -6.267 3.980 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -9.368 -8.083 6.861 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -8.439 -9.520 6.420 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -7.136 -8.128 3.464 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -7.191 -9.544 4.519 1.00 0.00 H new ATOM 781 N THR A 52 -10.414 -2.707 5.972 1.00 0.00 N ATOM 782 CA THR A 52 -9.269 -1.845 6.244 1.00 0.00 C ATOM 783 C THR A 52 -9.708 -0.404 6.582 1.00 0.00 C ATOM 784 O THR A 52 -9.406 0.092 7.670 1.00 0.00 O ATOM 785 CB THR A 52 -8.299 -1.859 5.059 1.00 0.00 C ATOM 786 OG1 THR A 52 -8.015 -3.187 4.656 1.00 0.00 O ATOM 787 CG2 THR A 52 -6.970 -1.181 5.344 1.00 0.00 C ATOM 0 H THR A 52 -10.577 -2.875 4.979 1.00 0.00 H new ATOM 0 HA THR A 52 -8.754 -2.239 7.120 1.00 0.00 H new ATOM 0 HB THR A 52 -8.811 -1.301 4.275 1.00 0.00 H new ATOM 0 HG1 THR A 52 -7.058 -3.366 4.771 1.00 0.00 H new ATOM 0 HG21 THR A 52 -6.338 -1.232 4.457 1.00 0.00 H new ATOM 0 HG22 THR A 52 -7.143 -0.137 5.607 1.00 0.00 H new ATOM 0 HG23 THR A 52 -6.474 -1.686 6.173 1.00 0.00 H new ATOM 795 N CYS A 53 -10.406 0.261 5.639 1.00 0.00 N ATOM 796 CA CYS A 53 -10.863 1.648 5.848 1.00 0.00 C ATOM 797 C CYS A 53 -12.264 1.903 5.279 1.00 0.00 C ATOM 798 O CYS A 53 -12.738 3.047 5.256 1.00 0.00 O ATOM 799 CB CYS A 53 -9.860 2.639 5.244 1.00 0.00 C ATOM 800 SG CYS A 53 -8.917 3.563 6.507 1.00 0.00 S ATOM 0 H CYS A 53 -10.663 -0.136 4.735 1.00 0.00 H new ATOM 0 HA CYS A 53 -10.923 1.800 6.926 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -9.164 2.097 4.603 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -10.394 3.346 4.609 1.00 0.00 H new ATOM 805 N GLY A 54 -12.923 0.831 4.834 1.00 0.00 N ATOM 806 CA GLY A 54 -14.271 0.931 4.272 1.00 0.00 C ATOM 807 C GLY A 54 -15.357 1.092 5.328 1.00 0.00 C ATOM 808 O GLY A 54 -16.226 1.960 5.198 1.00 0.00 O ATOM 0 H GLY A 54 -12.545 -0.116 4.852 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -14.310 1.780 3.589 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -14.478 0.038 3.682 1.00 0.00 H new