USER MOD reduce.3.24.130724 H: found=0, std=0, add=402, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 402 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 29 GLN :FLIP amide:sc= 0.791 F(o=-6!,f=0.79) USER MOD Set 1.2: A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 ASP N :NH3+ 173:sc= -4.1! (180deg=-4.25!) USER MOD Single : A 8 TYR OH : rot -104:sc= -3.55! USER MOD Single : A 9 THR OG1 : rot 50:sc= 0.187 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 150:sc= -0.153 USER MOD Single : A 22 ASN :FLIP amide:sc= -2.3 F(o=-3.3!,f=-2.3) USER MOD Single : A 24 LYS NZ :NH3+ -167:sc=-0.00843 (180deg=-0.146) USER MOD Single : A 33 TYR OH : rot -168:sc= -0.0304 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot -24:sc= 0.618 USER MOD Single : A 41 ASN : amide:sc= -12.2! C(o=-12!,f=-13!) USER MOD Single : A 42 ASN : amide:sc= -0.177 X(o=-0.18,f=0.31) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot -71:sc= 0.563 USER MOD Single : A 50 MET CE :methyl 173:sc= 0 (180deg=-0.0473) USER MOD Single : A 52 THR OG1 : rot 79:sc= 1.15 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -2.932 8.557 3.319 1.00 0.00 N ATOM 2 CA ASP A 1 -2.445 7.559 4.276 1.00 0.00 C ATOM 3 C ASP A 1 -3.237 6.305 4.116 1.00 0.00 C ATOM 4 O ASP A 1 -4.030 5.896 4.976 1.00 0.00 O ATOM 5 CB ASP A 1 -2.496 8.100 5.711 1.00 0.00 C ATOM 6 CG ASP A 1 -1.639 9.340 5.913 1.00 0.00 C ATOM 7 OD1 ASP A 1 -0.409 9.251 5.715 1.00 0.00 O ATOM 8 OD2 ASP A 1 -2.200 10.397 6.270 1.00 0.00 O ATOM 0 H1 ASP A 1 -2.468 9.469 3.503 1.00 0.00 H new ATOM 0 H2 ASP A 1 -2.713 8.246 2.351 1.00 0.00 H new ATOM 0 H3 ASP A 1 -3.961 8.665 3.423 1.00 0.00 H new ATOM 0 HA ASP A 1 -1.398 7.334 4.072 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -3.529 8.334 5.968 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -2.165 7.321 6.398 1.00 0.00 H new ATOM 15 N PHE A 2 -2.940 5.680 2.978 1.00 0.00 N ATOM 16 CA PHE A 2 -3.492 4.402 2.537 1.00 0.00 C ATOM 17 C PHE A 2 -4.976 4.163 2.915 1.00 0.00 C ATOM 18 O PHE A 2 -5.412 3.020 3.090 1.00 0.00 O ATOM 19 CB PHE A 2 -2.549 3.294 3.040 1.00 0.00 C ATOM 20 CG PHE A 2 -2.444 3.114 4.536 1.00 0.00 C ATOM 21 CD1 PHE A 2 -1.806 4.055 5.327 1.00 0.00 C ATOM 22 CD2 PHE A 2 -2.936 1.967 5.127 1.00 0.00 C ATOM 23 CE1 PHE A 2 -1.671 3.850 6.690 1.00 0.00 C ATOM 24 CE2 PHE A 2 -2.812 1.753 6.476 1.00 0.00 C ATOM 25 CZ PHE A 2 -2.175 2.694 7.267 1.00 0.00 C ATOM 0 H PHE A 2 -2.277 6.070 2.308 1.00 0.00 H new ATOM 0 HA PHE A 2 -3.533 4.400 1.448 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -2.875 2.348 2.606 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -1.551 3.496 2.652 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -1.411 4.954 4.878 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -3.428 1.225 4.516 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -1.175 4.588 7.302 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -3.210 0.853 6.920 1.00 0.00 H new ATOM 0 HZ PHE A 2 -2.071 2.528 8.329 1.00 0.00 H new ATOM 35 N CYS A 3 -5.734 5.264 3.003 1.00 0.00 N ATOM 36 CA CYS A 3 -7.162 5.233 3.324 1.00 0.00 C ATOM 37 C CYS A 3 -7.915 6.296 2.521 1.00 0.00 C ATOM 38 O CYS A 3 -9.054 6.063 2.113 1.00 0.00 O ATOM 39 CB CYS A 3 -7.407 5.436 4.823 1.00 0.00 C ATOM 40 SG CYS A 3 -7.161 3.950 5.868 1.00 0.00 S ATOM 0 H CYS A 3 -5.369 6.205 2.852 1.00 0.00 H new ATOM 0 HA CYS A 3 -7.538 4.247 3.052 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -6.743 6.224 5.179 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -8.428 5.792 4.962 1.00 0.00 H new ATOM 45 N LEU A 4 -7.268 7.458 2.268 1.00 0.00 N ATOM 46 CA LEU A 4 -7.887 8.535 1.479 1.00 0.00 C ATOM 47 C LEU A 4 -6.831 9.435 0.850 1.00 0.00 C ATOM 48 O LEU A 4 -6.928 9.817 -0.319 1.00 0.00 O ATOM 49 CB LEU A 4 -8.877 9.361 2.325 1.00 0.00 C ATOM 50 CG LEU A 4 -8.321 9.983 3.613 1.00 0.00 C ATOM 51 CD1 LEU A 4 -7.935 11.436 3.381 1.00 0.00 C ATOM 52 CD2 LEU A 4 -9.348 9.868 4.723 1.00 0.00 C ATOM 0 H LEU A 4 -6.326 7.667 2.598 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.452 8.063 0.675 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -9.273 10.163 1.702 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.717 8.720 2.591 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.423 9.441 3.910 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -7.543 11.860 4.305 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -7.172 11.490 2.604 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -8.813 12.000 3.067 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -8.949 10.311 5.635 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.258 10.393 4.433 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.577 8.817 4.900 1.00 0.00 H new ATOM 64 N GLU A 5 -5.824 9.749 1.655 1.00 0.00 N ATOM 65 CA GLU A 5 -4.704 10.586 1.265 1.00 0.00 C ATOM 66 C GLU A 5 -3.706 9.806 0.379 1.00 0.00 C ATOM 67 O GLU A 5 -3.776 8.576 0.331 1.00 0.00 O ATOM 68 CB GLU A 5 -4.036 11.086 2.535 1.00 0.00 C ATOM 69 CG GLU A 5 -4.626 12.378 3.078 1.00 0.00 C ATOM 70 CD GLU A 5 -3.940 12.852 4.347 1.00 0.00 C ATOM 71 OE1 GLU A 5 -4.000 12.128 5.365 1.00 0.00 O ATOM 72 OE2 GLU A 5 -3.342 13.948 4.324 1.00 0.00 O ATOM 0 H GLU A 5 -5.765 9.420 2.619 1.00 0.00 H new ATOM 0 HA GLU A 5 -5.055 11.429 0.670 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.112 10.314 3.301 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -2.975 11.238 2.339 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -4.549 13.155 2.317 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -5.687 12.231 3.278 1.00 0.00 H new ATOM 79 N PRO A 6 -2.778 10.503 -0.363 1.00 0.00 N ATOM 80 CA PRO A 6 -1.797 9.852 -1.273 1.00 0.00 C ATOM 81 C PRO A 6 -0.970 8.697 -0.648 1.00 0.00 C ATOM 82 O PRO A 6 -0.025 8.944 0.113 1.00 0.00 O ATOM 83 CB PRO A 6 -0.874 11.002 -1.711 1.00 0.00 C ATOM 84 CG PRO A 6 -1.185 12.132 -0.796 1.00 0.00 C ATOM 85 CD PRO A 6 -2.623 11.971 -0.416 1.00 0.00 C ATOM 0 HA PRO A 6 -2.326 9.359 -2.088 1.00 0.00 H new ATOM 0 HB2 PRO A 6 0.175 10.714 -1.636 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -1.056 11.277 -2.750 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -0.544 12.109 0.085 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -1.016 13.090 -1.288 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -2.843 12.437 0.544 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -3.290 12.423 -1.150 1.00 0.00 H new ATOM 93 N PRO A 7 -1.333 7.405 -0.968 1.00 0.00 N ATOM 94 CA PRO A 7 -0.657 6.180 -0.472 1.00 0.00 C ATOM 95 C PRO A 7 0.877 6.286 -0.411 1.00 0.00 C ATOM 96 O PRO A 7 1.484 6.975 -1.235 1.00 0.00 O ATOM 97 CB PRO A 7 -1.061 5.104 -1.483 1.00 0.00 C ATOM 98 CG PRO A 7 -2.046 5.717 -2.415 1.00 0.00 C ATOM 99 CD PRO A 7 -2.460 7.035 -1.831 1.00 0.00 C ATOM 0 HA PRO A 7 -0.956 5.974 0.556 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -0.189 4.743 -2.029 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.497 4.244 -0.975 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -1.605 5.857 -3.402 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -2.911 5.065 -2.542 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -2.631 7.781 -2.608 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -3.387 6.948 -1.264 1.00 0.00 H new ATOM 107 N TYR A 8 1.492 5.599 0.575 1.00 0.00 N ATOM 108 CA TYR A 8 2.946 5.602 0.769 1.00 0.00 C ATOM 109 C TYR A 8 3.679 4.905 -0.400 1.00 0.00 C ATOM 110 O TYR A 8 3.536 3.696 -0.601 1.00 0.00 O ATOM 111 CB TYR A 8 3.264 4.925 2.123 1.00 0.00 C ATOM 112 CG TYR A 8 2.663 3.547 2.267 1.00 0.00 C ATOM 113 CD1 TYR A 8 1.343 3.379 2.688 1.00 0.00 C ATOM 114 CD2 TYR A 8 3.404 2.421 1.952 1.00 0.00 C ATOM 115 CE1 TYR A 8 0.794 2.118 2.792 1.00 0.00 C ATOM 116 CE2 TYR A 8 2.859 1.164 2.045 1.00 0.00 C ATOM 117 CZ TYR A 8 1.560 1.014 2.464 1.00 0.00 C ATOM 118 OH TYR A 8 1.017 -0.240 2.528 1.00 0.00 O ATOM 0 H TYR A 8 0.989 5.029 1.255 1.00 0.00 H new ATOM 0 HA TYR A 8 3.306 6.631 0.784 1.00 0.00 H new ATOM 0 HB2 TYR A 8 4.346 4.854 2.239 1.00 0.00 H new ATOM 0 HB3 TYR A 8 2.897 5.558 2.931 1.00 0.00 H new ATOM 0 HD1 TYR A 8 0.746 4.244 2.935 1.00 0.00 H new ATOM 0 HD2 TYR A 8 4.428 2.533 1.628 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -0.225 1.994 3.127 1.00 0.00 H new ATOM 0 HE2 TYR A 8 3.450 0.297 1.790 1.00 0.00 H new ATOM 0 HH TYR A 8 1.342 -0.696 3.332 1.00 0.00 H new ATOM 128 N THR A 9 4.449 5.690 -1.175 1.00 0.00 N ATOM 129 CA THR A 9 5.202 5.178 -2.333 1.00 0.00 C ATOM 130 C THR A 9 6.441 6.044 -2.589 1.00 0.00 C ATOM 131 O THR A 9 6.406 6.985 -3.394 1.00 0.00 O ATOM 132 CB THR A 9 4.326 5.128 -3.605 1.00 0.00 C ATOM 133 OG1 THR A 9 3.637 6.353 -3.790 1.00 0.00 O ATOM 134 CG2 THR A 9 3.298 4.014 -3.609 1.00 0.00 C ATOM 0 H THR A 9 4.566 6.691 -1.017 1.00 0.00 H new ATOM 0 HA THR A 9 5.514 4.161 -2.097 1.00 0.00 H new ATOM 0 HB THR A 9 5.028 4.938 -4.416 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.270 7.098 -3.719 1.00 0.00 H new ATOM 0 HG21 THR A 9 2.726 4.050 -4.536 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.804 3.052 -3.532 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.624 4.138 -2.762 1.00 0.00 H new ATOM 142 N GLY A 10 7.529 5.726 -1.885 1.00 0.00 N ATOM 143 CA GLY A 10 8.766 6.484 -2.034 1.00 0.00 C ATOM 144 C GLY A 10 9.890 6.061 -1.078 1.00 0.00 C ATOM 145 O GLY A 10 11.028 5.915 -1.530 1.00 0.00 O ATOM 0 H GLY A 10 7.577 4.958 -1.215 1.00 0.00 H new ATOM 0 HA2 GLY A 10 9.120 6.380 -3.060 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.551 7.541 -1.877 1.00 0.00 H new ATOM 149 N PRO A 11 9.630 5.887 0.263 1.00 0.00 N ATOM 150 CA PRO A 11 10.673 5.516 1.254 1.00 0.00 C ATOM 151 C PRO A 11 11.502 4.270 0.901 1.00 0.00 C ATOM 152 O PRO A 11 12.707 4.241 1.171 1.00 0.00 O ATOM 153 CB PRO A 11 9.885 5.272 2.553 1.00 0.00 C ATOM 154 CG PRO A 11 8.454 5.193 2.146 1.00 0.00 C ATOM 155 CD PRO A 11 8.327 6.072 0.940 1.00 0.00 C ATOM 0 HA PRO A 11 11.418 6.310 1.312 1.00 0.00 H new ATOM 0 HB2 PRO A 11 10.206 4.350 3.038 1.00 0.00 H new ATOM 0 HB3 PRO A 11 10.045 6.080 3.266 1.00 0.00 H new ATOM 0 HG2 PRO A 11 8.169 4.167 1.914 1.00 0.00 H new ATOM 0 HG3 PRO A 11 7.799 5.532 2.949 1.00 0.00 H new ATOM 0 HD2 PRO A 11 7.494 5.770 0.305 1.00 0.00 H new ATOM 0 HD3 PRO A 11 8.157 7.113 1.214 1.00 0.00 H new ATOM 163 N CYS A 12 10.863 3.243 0.316 1.00 0.00 N ATOM 164 CA CYS A 12 11.573 2.005 -0.040 1.00 0.00 C ATOM 165 C CYS A 12 11.198 1.504 -1.437 1.00 0.00 C ATOM 166 O CYS A 12 10.097 1.765 -1.928 1.00 0.00 O ATOM 167 CB CYS A 12 11.271 0.904 0.977 1.00 0.00 C ATOM 168 SG CYS A 12 11.323 1.427 2.722 1.00 0.00 S ATOM 0 H CYS A 12 9.870 3.245 0.083 1.00 0.00 H new ATOM 0 HA CYS A 12 12.637 2.242 -0.034 1.00 0.00 H new ATOM 0 HB2 CYS A 12 10.282 0.497 0.765 1.00 0.00 H new ATOM 0 HB3 CYS A 12 11.986 0.094 0.835 1.00 0.00 H new ATOM 173 N ARG A 13 12.141 0.756 -2.057 1.00 0.00 N ATOM 174 CA ARG A 13 11.991 0.146 -3.408 1.00 0.00 C ATOM 175 C ARG A 13 11.485 1.138 -4.477 1.00 0.00 C ATOM 176 O ARG A 13 11.324 2.331 -4.203 1.00 0.00 O ATOM 177 CB ARG A 13 11.095 -1.115 -3.358 1.00 0.00 C ATOM 178 CG ARG A 13 11.700 -2.267 -2.560 1.00 0.00 C ATOM 179 CD ARG A 13 11.352 -3.632 -3.152 1.00 0.00 C ATOM 180 NE ARG A 13 9.922 -3.959 -3.052 1.00 0.00 N ATOM 181 CZ ARG A 13 9.376 -5.118 -3.447 1.00 0.00 C ATOM 182 NH1 ARG A 13 10.123 -6.089 -3.972 1.00 0.00 N ATOM 183 NH2 ARG A 13 8.070 -5.306 -3.317 1.00 0.00 N ATOM 0 H ARG A 13 13.044 0.554 -1.629 1.00 0.00 H new ATOM 0 HA ARG A 13 12.994 -0.149 -3.715 1.00 0.00 H new ATOM 0 HB2 ARG A 13 10.132 -0.849 -2.922 1.00 0.00 H new ATOM 0 HB3 ARG A 13 10.901 -1.453 -4.376 1.00 0.00 H new ATOM 0 HG2 ARG A 13 12.784 -2.154 -2.528 1.00 0.00 H new ATOM 0 HG3 ARG A 13 11.344 -2.219 -1.531 1.00 0.00 H new ATOM 0 HD2 ARG A 13 11.650 -3.653 -4.200 1.00 0.00 H new ATOM 0 HD3 ARG A 13 11.931 -4.401 -2.640 1.00 0.00 H new ATOM 0 HE ARG A 13 9.301 -3.254 -2.654 1.00 0.00 H new ATOM 0 HH11 ARG A 13 11.129 -5.957 -4.079 1.00 0.00 H new ATOM 0 HH12 ARG A 13 9.689 -6.964 -4.267 1.00 0.00 H new ATOM 0 HH21 ARG A 13 7.486 -4.571 -2.918 1.00 0.00 H new ATOM 0 HH22 ARG A 13 7.649 -6.186 -3.616 1.00 0.00 H new ATOM 197 N ALA A 14 11.262 0.628 -5.704 1.00 0.00 N ATOM 198 CA ALA A 14 10.801 1.439 -6.829 1.00 0.00 C ATOM 199 C ALA A 14 9.314 1.797 -6.721 1.00 0.00 C ATOM 200 O ALA A 14 8.973 2.918 -6.333 1.00 0.00 O ATOM 201 CB ALA A 14 11.112 0.732 -8.147 1.00 0.00 C ATOM 0 H ALA A 14 11.398 -0.356 -5.935 1.00 0.00 H new ATOM 0 HA ALA A 14 11.344 2.384 -6.802 1.00 0.00 H new ATOM 0 HB1 ALA A 14 10.765 1.344 -8.979 1.00 0.00 H new ATOM 0 HB2 ALA A 14 12.188 0.579 -8.233 1.00 0.00 H new ATOM 0 HB3 ALA A 14 10.606 -0.233 -8.171 1.00 0.00 H new ATOM 207 N ALA A 15 8.439 0.839 -7.062 1.00 0.00 N ATOM 208 CA ALA A 15 6.983 1.024 -7.011 1.00 0.00 C ATOM 209 C ALA A 15 6.260 -0.283 -7.324 1.00 0.00 C ATOM 210 O ALA A 15 6.286 -0.764 -8.464 1.00 0.00 O ATOM 211 CB ALA A 15 6.516 2.125 -7.971 1.00 0.00 C ATOM 0 H ALA A 15 8.723 -0.087 -7.381 1.00 0.00 H new ATOM 0 HA ALA A 15 6.733 1.334 -5.996 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.433 2.231 -7.904 1.00 0.00 H new ATOM 0 HB2 ALA A 15 6.991 3.068 -7.701 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.792 1.859 -8.991 1.00 0.00 H new ATOM 217 N ILE A 16 5.623 -0.851 -6.302 1.00 0.00 N ATOM 218 CA ILE A 16 4.887 -2.103 -6.438 1.00 0.00 C ATOM 219 C ILE A 16 3.392 -1.793 -6.239 1.00 0.00 C ATOM 220 O ILE A 16 3.059 -0.869 -5.489 1.00 0.00 O ATOM 221 CB ILE A 16 5.441 -3.159 -5.419 1.00 0.00 C ATOM 222 CG1 ILE A 16 6.970 -3.296 -5.566 1.00 0.00 C ATOM 223 CG2 ILE A 16 4.793 -4.530 -5.578 1.00 0.00 C ATOM 224 CD1 ILE A 16 7.763 -2.346 -4.691 1.00 0.00 C ATOM 0 H ILE A 16 5.603 -0.457 -5.361 1.00 0.00 H new ATOM 0 HA ILE A 16 5.015 -2.541 -7.428 1.00 0.00 H new ATOM 0 HB ILE A 16 5.191 -2.790 -4.424 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.257 -4.320 -5.326 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.241 -3.125 -6.608 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.216 -5.219 -4.847 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.718 -4.445 -5.418 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.981 -4.907 -6.583 1.00 0.00 H new ATOM 0 HD11 ILE A 16 8.829 -2.506 -4.853 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.507 -1.317 -4.946 1.00 0.00 H new ATOM 0 HD13 ILE A 16 7.524 -2.531 -3.644 1.00 0.00 H new ATOM 236 N ILE A 17 2.504 -2.513 -6.950 1.00 0.00 N ATOM 237 CA ILE A 17 1.053 -2.241 -6.888 1.00 0.00 C ATOM 238 C ILE A 17 0.195 -3.411 -6.383 1.00 0.00 C ATOM 239 O ILE A 17 0.572 -4.584 -6.416 1.00 0.00 O ATOM 240 CB ILE A 17 0.562 -1.801 -8.311 1.00 0.00 C ATOM 241 CG1 ILE A 17 -0.801 -1.097 -8.294 1.00 0.00 C ATOM 242 CG2 ILE A 17 0.528 -2.964 -9.306 1.00 0.00 C ATOM 243 CD1 ILE A 17 -0.693 0.396 -8.133 1.00 0.00 C ATOM 0 H ILE A 17 2.761 -3.281 -7.569 1.00 0.00 H new ATOM 0 HA ILE A 17 0.922 -1.450 -6.150 1.00 0.00 H new ATOM 0 HB ILE A 17 1.306 -1.078 -8.645 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -1.329 -1.319 -9.221 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.402 -1.502 -7.480 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.181 -2.604 -10.275 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.529 -3.382 -9.412 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -0.150 -3.735 -8.941 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.691 0.835 -8.129 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.192 0.625 -7.193 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.118 0.811 -8.961 1.00 0.00 H new ATOM 255 N ARG A 18 -1.001 -2.993 -5.966 1.00 0.00 N ATOM 256 CA ARG A 18 -2.099 -3.836 -5.465 1.00 0.00 C ATOM 257 C ARG A 18 -3.249 -2.902 -5.044 1.00 0.00 C ATOM 258 O ARG A 18 -3.442 -1.882 -5.700 1.00 0.00 O ATOM 259 CB ARG A 18 -1.684 -4.796 -4.331 1.00 0.00 C ATOM 260 CG ARG A 18 -2.468 -6.111 -4.293 1.00 0.00 C ATOM 261 CD ARG A 18 -2.040 -7.087 -5.391 1.00 0.00 C ATOM 262 NE ARG A 18 -0.670 -7.583 -5.198 1.00 0.00 N ATOM 263 CZ ARG A 18 -0.049 -8.448 -6.013 1.00 0.00 C ATOM 264 NH1 ARG A 18 -0.657 -8.934 -7.095 1.00 0.00 N ATOM 265 NH2 ARG A 18 1.192 -8.829 -5.741 1.00 0.00 N ATOM 0 H ARG A 18 -1.248 -2.003 -5.967 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.420 -4.503 -6.265 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -0.623 -5.023 -4.435 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -1.809 -4.286 -3.376 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.331 -6.583 -3.320 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.532 -5.898 -4.397 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.729 -7.931 -5.412 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.111 -6.593 -6.360 1.00 0.00 H new ATOM 0 HE ARG A 18 -0.154 -7.245 -4.385 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -1.611 -8.649 -7.315 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -0.168 -9.591 -7.703 1.00 0.00 H new ATOM 0 HH21 ARG A 18 1.668 -8.464 -4.916 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.670 -9.487 -6.357 1.00 0.00 H new ATOM 279 N TYR A 19 -4.037 -3.238 -4.000 1.00 0.00 N ATOM 280 CA TYR A 19 -5.186 -2.393 -3.628 1.00 0.00 C ATOM 281 C TYR A 19 -4.981 -1.479 -2.422 1.00 0.00 C ATOM 282 O TYR A 19 -4.563 -1.915 -1.338 1.00 0.00 O ATOM 283 CB TYR A 19 -6.433 -3.280 -3.426 1.00 0.00 C ATOM 284 CG TYR A 19 -6.998 -3.917 -4.699 1.00 0.00 C ATOM 285 CD1 TYR A 19 -6.181 -4.282 -5.774 1.00 0.00 C ATOM 286 CD2 TYR A 19 -8.362 -4.153 -4.820 1.00 0.00 C ATOM 287 CE1 TYR A 19 -6.702 -4.854 -6.915 1.00 0.00 C ATOM 288 CE2 TYR A 19 -8.892 -4.728 -5.961 1.00 0.00 C ATOM 289 CZ TYR A 19 -8.059 -5.076 -7.004 1.00 0.00 C ATOM 290 OH TYR A 19 -8.586 -5.646 -8.141 1.00 0.00 O ATOM 0 H TYR A 19 -3.903 -4.064 -3.417 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.318 -1.706 -4.464 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -6.183 -4.074 -2.722 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -7.215 -2.678 -2.963 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.117 -4.112 -5.709 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -9.021 -3.882 -4.008 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.051 -5.126 -7.733 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -9.955 -4.904 -6.035 1.00 0.00 H new ATOM 0 HH TYR A 19 -9.557 -5.735 -8.042 1.00 0.00 H new ATOM 300 N PHE A 20 -5.340 -0.195 -2.653 1.00 0.00 N ATOM 301 CA PHE A 20 -5.286 0.870 -1.655 1.00 0.00 C ATOM 302 C PHE A 20 -6.694 1.470 -1.514 1.00 0.00 C ATOM 303 O PHE A 20 -7.572 1.155 -2.311 1.00 0.00 O ATOM 304 CB PHE A 20 -4.194 1.887 -2.075 1.00 0.00 C ATOM 305 CG PHE A 20 -4.572 3.267 -2.527 1.00 0.00 C ATOM 306 CD1 PHE A 20 -5.074 4.209 -1.652 1.00 0.00 C ATOM 307 CD2 PHE A 20 -4.396 3.612 -3.839 1.00 0.00 C ATOM 308 CE1 PHE A 20 -5.411 5.470 -2.098 1.00 0.00 C ATOM 309 CE2 PHE A 20 -4.720 4.864 -4.295 1.00 0.00 C ATOM 310 CZ PHE A 20 -5.235 5.797 -3.427 1.00 0.00 C ATOM 0 H PHE A 20 -5.680 0.124 -3.560 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.001 0.507 -0.667 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.517 2.000 -1.228 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.622 1.430 -2.882 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -5.204 3.957 -0.610 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.994 2.885 -4.529 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.811 6.199 -1.409 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -4.571 5.117 -5.334 1.00 0.00 H new ATOM 0 HZ PHE A 20 -5.501 6.781 -3.783 1.00 0.00 H new ATOM 320 N TYR A 21 -6.909 2.313 -0.504 1.00 0.00 N ATOM 321 CA TYR A 21 -8.211 2.935 -0.291 1.00 0.00 C ATOM 322 C TYR A 21 -8.094 4.447 -0.514 1.00 0.00 C ATOM 323 O TYR A 21 -7.313 5.108 0.172 1.00 0.00 O ATOM 324 CB TYR A 21 -8.689 2.648 1.133 1.00 0.00 C ATOM 325 CG TYR A 21 -10.196 2.638 1.296 1.00 0.00 C ATOM 326 CD1 TYR A 21 -10.929 1.510 0.966 1.00 0.00 C ATOM 327 CD2 TYR A 21 -10.879 3.738 1.792 1.00 0.00 C ATOM 328 CE1 TYR A 21 -12.300 1.472 1.122 1.00 0.00 C ATOM 329 CE2 TYR A 21 -12.253 3.709 1.956 1.00 0.00 C ATOM 330 CZ TYR A 21 -12.957 2.573 1.619 1.00 0.00 C ATOM 331 OH TYR A 21 -14.322 2.534 1.786 1.00 0.00 O ATOM 0 H TYR A 21 -6.198 2.579 0.177 1.00 0.00 H new ATOM 0 HA TYR A 21 -8.934 2.525 -0.996 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -8.295 1.682 1.448 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -8.268 3.398 1.803 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -10.417 0.642 0.578 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -10.331 4.631 2.054 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -12.853 0.583 0.855 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -12.771 4.573 2.346 1.00 0.00 H new ATOM 0 HH TYR A 21 -14.577 3.114 2.533 1.00 0.00 H new ATOM 341 N ASN A 22 -8.844 4.989 -1.480 1.00 0.00 N ATOM 342 CA ASN A 22 -8.803 6.418 -1.774 1.00 0.00 C ATOM 343 C ASN A 22 -10.169 7.035 -1.438 1.00 0.00 C ATOM 344 O ASN A 22 -10.882 7.525 -2.321 1.00 0.00 O ATOM 345 CB ASN A 22 -8.422 6.642 -3.238 1.00 0.00 C ATOM 346 CG ASN A 22 -7.915 8.048 -3.514 1.00 0.00 C ATOM 347 OD1 ASN A 22 -8.552 8.731 -4.453 1.00 0.00 O flip ATOM 348 ND2 ASN A 22 -6.953 8.508 -2.897 1.00 0.00 N flip ATOM 0 H ASN A 22 -9.485 4.457 -2.069 1.00 0.00 H new ATOM 0 HA ASN A 22 -8.044 6.908 -1.164 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -7.653 5.923 -3.521 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -9.290 6.445 -3.867 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -6.491 7.947 -2.181 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -6.618 9.449 -3.102 1.00 0.00 H new ATOM 355 N ALA A 23 -10.537 6.951 -0.143 1.00 0.00 N ATOM 356 CA ALA A 23 -11.835 7.427 0.392 1.00 0.00 C ATOM 357 C ALA A 23 -12.062 8.937 0.225 1.00 0.00 C ATOM 358 O ALA A 23 -12.483 9.638 1.156 1.00 0.00 O ATOM 359 CB ALA A 23 -11.953 7.030 1.860 1.00 0.00 C ATOM 0 H ALA A 23 -9.934 6.545 0.573 1.00 0.00 H new ATOM 0 HA ALA A 23 -12.614 6.946 -0.199 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -12.907 7.379 2.256 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -11.898 5.945 1.949 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.138 7.482 2.426 1.00 0.00 H new ATOM 365 N LYS A 24 -11.763 9.420 -0.973 1.00 0.00 N ATOM 366 CA LYS A 24 -11.896 10.823 -1.320 1.00 0.00 C ATOM 367 C LYS A 24 -12.404 11.005 -2.763 1.00 0.00 C ATOM 368 O LYS A 24 -13.219 11.894 -3.030 1.00 0.00 O ATOM 369 CB LYS A 24 -10.530 11.498 -1.050 1.00 0.00 C ATOM 370 CG LYS A 24 -10.046 12.557 -2.055 1.00 0.00 C ATOM 371 CD LYS A 24 -9.289 11.936 -3.238 1.00 0.00 C ATOM 372 CE LYS A 24 -7.892 11.434 -2.856 1.00 0.00 C ATOM 373 NZ LYS A 24 -6.976 12.545 -2.466 1.00 0.00 N ATOM 0 H LYS A 24 -11.418 8.840 -1.738 1.00 0.00 H new ATOM 0 HA LYS A 24 -12.654 11.308 -0.705 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -10.575 11.965 -0.066 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -9.773 10.715 -0.997 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -10.903 13.118 -2.429 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.397 13.269 -1.545 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -9.870 11.106 -3.639 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.199 12.676 -4.033 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.976 10.729 -2.029 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.462 10.890 -3.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.998 12.193 -2.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.043 13.312 -3.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.248 12.906 -1.529 1.00 0.00 H new ATOM 387 N ALA A 25 -11.909 10.162 -3.678 1.00 0.00 N ATOM 388 CA ALA A 25 -12.290 10.220 -5.092 1.00 0.00 C ATOM 389 C ALA A 25 -13.383 9.204 -5.416 1.00 0.00 C ATOM 390 O ALA A 25 -14.535 9.565 -5.674 1.00 0.00 O ATOM 391 CB ALA A 25 -11.061 9.977 -5.959 1.00 0.00 C ATOM 0 H ALA A 25 -11.238 9.426 -3.460 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.692 11.211 -5.302 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.344 10.020 -7.011 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.313 10.743 -5.753 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.646 8.994 -5.735 1.00 0.00 H new ATOM 397 N GLY A 26 -12.988 7.941 -5.381 1.00 0.00 N ATOM 398 CA GLY A 26 -13.880 6.824 -5.646 1.00 0.00 C ATOM 399 C GLY A 26 -13.605 5.693 -4.682 1.00 0.00 C ATOM 400 O GLY A 26 -14.105 4.576 -4.842 1.00 0.00 O ATOM 0 H GLY A 26 -12.031 7.660 -5.166 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -14.917 7.147 -5.552 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -13.746 6.478 -6.671 1.00 0.00 H new ATOM 404 N LEU A 27 -12.788 6.019 -3.664 1.00 0.00 N ATOM 405 CA LEU A 27 -12.366 5.107 -2.593 1.00 0.00 C ATOM 406 C LEU A 27 -11.380 4.041 -3.097 1.00 0.00 C ATOM 407 O LEU A 27 -10.323 4.416 -3.602 1.00 0.00 O ATOM 408 CB LEU A 27 -13.571 4.567 -1.802 1.00 0.00 C ATOM 409 CG LEU A 27 -14.333 5.660 -1.027 1.00 0.00 C ATOM 410 CD1 LEU A 27 -15.441 6.265 -1.881 1.00 0.00 C ATOM 411 CD2 LEU A 27 -14.900 5.110 0.271 1.00 0.00 C ATOM 0 H LEU A 27 -12.393 6.954 -3.564 1.00 0.00 H new ATOM 0 HA LEU A 27 -11.790 5.676 -1.863 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.257 4.075 -2.491 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -13.225 3.808 -1.100 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.623 6.450 -0.782 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -15.962 7.033 -1.310 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -15.008 6.710 -2.777 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -16.146 5.485 -2.168 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -15.433 5.901 0.799 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -15.588 4.294 0.051 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -14.087 4.741 0.896 1.00 0.00 H new ATOM 423 N CYS A 28 -11.684 2.738 -2.952 1.00 0.00 N ATOM 424 CA CYS A 28 -10.780 1.658 -3.378 1.00 0.00 C ATOM 425 C CYS A 28 -10.011 1.969 -4.664 1.00 0.00 C ATOM 426 O CYS A 28 -10.585 2.182 -5.737 1.00 0.00 O ATOM 427 CB CYS A 28 -11.546 0.363 -3.505 1.00 0.00 C ATOM 428 SG CYS A 28 -12.086 -0.325 -1.908 1.00 0.00 S ATOM 0 H CYS A 28 -12.556 2.408 -2.539 1.00 0.00 H new ATOM 0 HA CYS A 28 -10.022 1.561 -2.601 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -12.421 0.528 -4.134 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -10.921 -0.371 -4.014 1.00 0.00 H new ATOM 433 N GLN A 29 -8.694 2.035 -4.482 1.00 0.00 N ATOM 434 CA GLN A 29 -7.736 2.367 -5.525 1.00 0.00 C ATOM 435 C GLN A 29 -6.571 1.340 -5.561 1.00 0.00 C ATOM 436 O GLN A 29 -6.786 0.165 -5.251 1.00 0.00 O ATOM 437 CB GLN A 29 -7.292 3.823 -5.288 1.00 0.00 C ATOM 438 CG GLN A 29 -7.570 4.758 -6.460 1.00 0.00 C ATOM 439 CD GLN A 29 -6.525 4.734 -7.579 1.00 0.00 C ATOM 440 OE1 GLN A 29 -5.331 4.212 -7.304 1.00 0.00 O flip ATOM 441 NE2 GLN A 29 -6.786 5.217 -8.681 1.00 0.00 N flip ATOM 0 H GLN A 29 -8.255 1.853 -3.579 1.00 0.00 H new ATOM 0 HA GLN A 29 -8.181 2.302 -6.518 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -7.800 4.207 -4.403 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -6.223 3.835 -5.073 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -8.540 4.501 -6.886 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -7.648 5.777 -6.080 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -7.710 5.609 -8.860 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -6.078 5.225 -9.415 1.00 0.00 H new ATOM 450 N THR A 30 -5.362 1.770 -5.979 1.00 0.00 N ATOM 451 CA THR A 30 -4.182 0.861 -6.110 1.00 0.00 C ATOM 452 C THR A 30 -2.830 1.544 -5.806 1.00 0.00 C ATOM 453 O THR A 30 -2.685 2.749 -6.026 1.00 0.00 O ATOM 454 CB THR A 30 -4.115 0.291 -7.541 1.00 0.00 C ATOM 455 OG1 THR A 30 -4.202 1.329 -8.501 1.00 0.00 O ATOM 456 CG2 THR A 30 -5.198 -0.722 -7.859 1.00 0.00 C ATOM 0 H THR A 30 -5.168 2.738 -6.234 1.00 0.00 H new ATOM 0 HA THR A 30 -4.331 0.077 -5.368 1.00 0.00 H new ATOM 0 HB THR A 30 -3.153 -0.219 -7.589 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.156 0.946 -9.402 1.00 0.00 H new ATOM 0 HG21 THR A 30 -5.079 -1.073 -8.884 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.118 -1.567 -7.175 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.177 -0.256 -7.747 1.00 0.00 H new ATOM 464 N PHE A 31 -1.821 0.741 -5.332 1.00 0.00 N ATOM 465 CA PHE A 31 -0.432 1.262 -5.024 1.00 0.00 C ATOM 466 C PHE A 31 0.487 0.238 -4.295 1.00 0.00 C ATOM 467 O PHE A 31 1.670 0.515 -4.094 1.00 0.00 O ATOM 468 CB PHE A 31 -0.488 2.477 -4.031 1.00 0.00 C ATOM 469 CG PHE A 31 -0.499 2.022 -2.593 1.00 0.00 C ATOM 470 CD1 PHE A 31 -1.531 1.233 -2.124 1.00 0.00 C ATOM 471 CD2 PHE A 31 0.534 2.339 -1.737 1.00 0.00 C ATOM 472 CE1 PHE A 31 -1.547 0.768 -0.840 1.00 0.00 C ATOM 473 CE2 PHE A 31 0.521 1.885 -0.440 1.00 0.00 C ATOM 474 CZ PHE A 31 -0.524 1.095 0.010 1.00 0.00 C ATOM 0 H PHE A 31 -1.935 -0.257 -5.155 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.035 1.512 -6.008 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.371 3.126 -4.201 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.380 3.070 -4.232 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.344 0.978 -2.788 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.356 2.946 -2.087 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.361 0.147 -0.497 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.327 2.145 0.230 1.00 0.00 H new ATOM 0 HZ PHE A 31 -0.532 0.738 1.029 1.00 0.00 H new ATOM 484 N VAL A 32 -0.142 -0.814 -3.746 1.00 0.00 N ATOM 485 CA VAL A 32 0.470 -1.810 -2.806 1.00 0.00 C ATOM 486 C VAL A 32 1.523 -1.195 -1.873 1.00 0.00 C ATOM 487 O VAL A 32 1.247 -1.038 -0.683 1.00 0.00 O ATOM 488 CB VAL A 32 0.945 -3.195 -3.376 1.00 0.00 C ATOM 489 CG1 VAL A 32 2.385 -3.228 -3.844 1.00 0.00 C ATOM 490 CG2 VAL A 32 0.746 -4.284 -2.322 1.00 0.00 C ATOM 0 H VAL A 32 -1.123 -1.015 -3.941 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.410 -2.088 -2.227 1.00 0.00 H new ATOM 0 HB VAL A 32 0.330 -3.370 -4.259 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.623 -4.223 -4.220 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.526 -2.496 -4.639 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.044 -2.989 -3.010 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.077 -5.242 -2.722 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.329 -4.041 -1.433 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.310 -4.346 -2.058 1.00 0.00 H new ATOM 500 N TYR A 33 2.725 -0.890 -2.410 1.00 0.00 N ATOM 501 CA TYR A 33 3.838 -0.337 -1.612 1.00 0.00 C ATOM 502 C TYR A 33 5.216 -0.482 -2.291 1.00 0.00 C ATOM 503 O TYR A 33 5.321 -0.952 -3.429 1.00 0.00 O ATOM 504 CB TYR A 33 3.772 -1.054 -0.252 1.00 0.00 C ATOM 505 CG TYR A 33 4.891 -1.955 0.160 1.00 0.00 C ATOM 506 CD1 TYR A 33 5.108 -3.152 -0.487 1.00 0.00 C ATOM 507 CD2 TYR A 33 5.671 -1.632 1.235 1.00 0.00 C ATOM 508 CE1 TYR A 33 6.098 -4.011 -0.064 1.00 0.00 C ATOM 509 CE2 TYR A 33 6.649 -2.477 1.676 1.00 0.00 C ATOM 510 CZ TYR A 33 6.866 -3.671 1.027 1.00 0.00 C ATOM 511 OH TYR A 33 7.851 -4.526 1.469 1.00 0.00 O ATOM 0 H TYR A 33 2.948 -1.019 -3.397 1.00 0.00 H new ATOM 0 HA TYR A 33 3.727 0.742 -1.501 1.00 0.00 H new ATOM 0 HB2 TYR A 33 3.670 -0.288 0.517 1.00 0.00 H new ATOM 0 HB3 TYR A 33 2.856 -1.644 -0.238 1.00 0.00 H new ATOM 0 HD1 TYR A 33 4.495 -3.420 -1.335 1.00 0.00 H new ATOM 0 HD2 TYR A 33 5.511 -0.693 1.744 1.00 0.00 H new ATOM 0 HE1 TYR A 33 6.270 -4.942 -0.583 1.00 0.00 H new ATOM 0 HE2 TYR A 33 7.251 -2.209 2.532 1.00 0.00 H new ATOM 0 HH TYR A 33 8.168 -4.233 2.349 1.00 0.00 H new ATOM 521 N GLY A 34 6.263 -0.094 -1.537 1.00 0.00 N ATOM 522 CA GLY A 34 7.630 -0.197 -1.984 1.00 0.00 C ATOM 523 C GLY A 34 8.331 -1.381 -1.333 1.00 0.00 C ATOM 524 O GLY A 34 8.105 -2.525 -1.732 1.00 0.00 O ATOM 0 H GLY A 34 6.164 0.298 -0.601 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.654 -0.307 -3.068 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.164 0.722 -1.745 1.00 0.00 H new ATOM 528 N GLY A 35 9.168 -1.109 -0.320 1.00 0.00 N ATOM 529 CA GLY A 35 9.883 -2.181 0.375 1.00 0.00 C ATOM 530 C GLY A 35 9.972 -1.994 1.889 1.00 0.00 C ATOM 531 O GLY A 35 10.707 -2.729 2.556 1.00 0.00 O ATOM 0 H GLY A 35 9.362 -0.170 0.029 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.387 -3.129 0.166 1.00 0.00 H new ATOM 0 HA3 GLY A 35 10.892 -2.253 -0.031 1.00 0.00 H new ATOM 535 N CYS A 36 9.226 -1.014 2.430 1.00 0.00 N ATOM 536 CA CYS A 36 9.216 -0.726 3.875 1.00 0.00 C ATOM 537 C CYS A 36 8.359 -1.771 4.629 1.00 0.00 C ATOM 538 O CYS A 36 8.240 -2.911 4.170 1.00 0.00 O ATOM 539 CB CYS A 36 8.668 0.695 4.112 1.00 0.00 C ATOM 540 SG CYS A 36 9.412 2.016 3.088 1.00 0.00 S ATOM 0 H CYS A 36 8.618 -0.404 1.883 1.00 0.00 H new ATOM 0 HA CYS A 36 10.235 -0.784 4.258 1.00 0.00 H new ATOM 0 HB2 CYS A 36 7.593 0.684 3.932 1.00 0.00 H new ATOM 0 HB3 CYS A 36 8.813 0.950 5.162 1.00 0.00 H new ATOM 545 N ARG A 37 7.748 -1.375 5.768 1.00 0.00 N ATOM 546 CA ARG A 37 6.883 -2.268 6.557 1.00 0.00 C ATOM 547 C ARG A 37 5.470 -2.309 5.975 1.00 0.00 C ATOM 548 O ARG A 37 4.478 -2.495 6.693 1.00 0.00 O ATOM 549 CB ARG A 37 6.877 -1.854 8.048 1.00 0.00 C ATOM 550 CG ARG A 37 6.313 -0.458 8.328 1.00 0.00 C ATOM 551 CD ARG A 37 6.245 -0.159 9.820 1.00 0.00 C ATOM 552 NE ARG A 37 5.244 -0.988 10.510 1.00 0.00 N ATOM 553 CZ ARG A 37 4.980 -0.930 11.823 1.00 0.00 C ATOM 554 NH1 ARG A 37 5.630 -0.086 12.622 1.00 0.00 N ATOM 555 NH2 ARG A 37 4.052 -1.727 12.339 1.00 0.00 N ATOM 0 H ARG A 37 7.841 -0.438 6.159 1.00 0.00 H new ATOM 0 HA ARG A 37 7.289 -3.278 6.501 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.295 -2.584 8.610 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.898 -1.900 8.427 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.935 0.290 7.836 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.316 -0.377 7.896 1.00 0.00 H new ATOM 0 HD2 ARG A 37 7.224 -0.328 10.267 1.00 0.00 H new ATOM 0 HD3 ARG A 37 6.005 0.894 9.967 1.00 0.00 H new ATOM 0 HE ARG A 37 4.713 -1.654 9.949 1.00 0.00 H new ATOM 0 HH11 ARG A 37 6.344 0.532 12.238 1.00 0.00 H new ATOM 0 HH12 ARG A 37 5.414 -0.058 13.618 1.00 0.00 H new ATOM 0 HH21 ARG A 37 3.546 -2.377 11.737 1.00 0.00 H new ATOM 0 HH22 ARG A 37 3.845 -1.689 13.337 1.00 0.00 H new ATOM 569 N ALA A 38 5.406 -2.113 4.646 1.00 0.00 N ATOM 570 CA ALA A 38 4.155 -2.086 3.873 1.00 0.00 C ATOM 571 C ALA A 38 3.119 -1.131 4.509 1.00 0.00 C ATOM 572 O ALA A 38 1.916 -1.300 4.322 1.00 0.00 O ATOM 573 CB ALA A 38 3.600 -3.504 3.690 1.00 0.00 C ATOM 0 H ALA A 38 6.236 -1.967 4.071 1.00 0.00 H new ATOM 0 HA ALA A 38 4.375 -1.692 2.881 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.675 -3.461 3.116 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.330 -4.114 3.158 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.401 -3.946 4.666 1.00 0.00 H new ATOM 579 N LYS A 39 3.638 -0.149 5.304 1.00 0.00 N ATOM 580 CA LYS A 39 2.867 0.864 6.059 1.00 0.00 C ATOM 581 C LYS A 39 1.457 0.373 6.443 1.00 0.00 C ATOM 582 O LYS A 39 0.476 1.129 6.415 1.00 0.00 O ATOM 583 CB LYS A 39 2.837 2.215 5.300 1.00 0.00 C ATOM 584 CG LYS A 39 2.478 3.435 6.156 1.00 0.00 C ATOM 585 CD LYS A 39 3.628 3.867 7.062 1.00 0.00 C ATOM 586 CE LYS A 39 3.252 5.078 7.900 1.00 0.00 C ATOM 587 NZ LYS A 39 4.367 5.506 8.788 1.00 0.00 N ATOM 0 H LYS A 39 4.644 -0.045 5.436 1.00 0.00 H new ATOM 0 HA LYS A 39 3.386 1.029 7.003 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.815 2.382 4.849 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.119 2.139 4.484 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.201 4.264 5.505 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.605 3.203 6.766 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.906 3.042 7.718 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.503 4.101 6.455 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.974 5.902 7.243 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.376 4.843 8.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.071 6.334 9.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.615 4.729 9.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.195 5.755 8.210 1.00 0.00 H new ATOM 601 N SER A 40 1.393 -0.918 6.836 1.00 0.00 N ATOM 602 CA SER A 40 0.142 -1.586 7.279 1.00 0.00 C ATOM 603 C SER A 40 -0.966 -1.715 6.188 1.00 0.00 C ATOM 604 O SER A 40 -2.020 -2.299 6.464 1.00 0.00 O ATOM 605 CB SER A 40 -0.406 -0.871 8.524 1.00 0.00 C ATOM 606 OG SER A 40 -1.513 -1.560 9.084 1.00 0.00 O ATOM 0 H SER A 40 2.208 -1.531 6.856 1.00 0.00 H new ATOM 0 HA SER A 40 0.420 -2.614 7.510 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.384 -0.785 9.270 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.706 0.143 8.258 1.00 0.00 H new ATOM 0 HG SER A 40 -1.947 -2.101 8.391 1.00 0.00 H new ATOM 612 N ASN A 41 -0.725 -1.213 4.960 1.00 0.00 N ATOM 613 CA ASN A 41 -1.704 -1.327 3.868 1.00 0.00 C ATOM 614 C ASN A 41 -1.265 -2.443 2.933 1.00 0.00 C ATOM 615 O ASN A 41 -0.059 -2.657 2.760 1.00 0.00 O ATOM 616 CB ASN A 41 -1.803 -0.030 3.056 1.00 0.00 C ATOM 617 CG ASN A 41 -2.947 -0.018 2.033 1.00 0.00 C ATOM 618 OD1 ASN A 41 -3.034 -0.892 1.171 1.00 0.00 O ATOM 619 ND2 ASN A 41 -3.814 0.984 2.106 1.00 0.00 N ATOM 0 H ASN A 41 0.135 -0.728 4.704 1.00 0.00 H new ATOM 0 HA ASN A 41 -2.679 -1.535 4.309 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -1.935 0.807 3.742 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -0.860 0.132 2.533 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -4.580 1.045 1.435 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -3.714 1.693 2.833 1.00 0.00 H new ATOM 626 N ASN A 42 -2.240 -3.134 2.320 1.00 0.00 N ATOM 627 CA ASN A 42 -1.974 -4.228 1.378 1.00 0.00 C ATOM 628 C ASN A 42 -3.278 -5.002 1.134 1.00 0.00 C ATOM 629 O ASN A 42 -3.500 -6.070 1.719 1.00 0.00 O ATOM 630 CB ASN A 42 -0.844 -5.139 1.929 1.00 0.00 C ATOM 631 CG ASN A 42 -0.442 -6.278 1.007 1.00 0.00 C ATOM 632 OD1 ASN A 42 -1.252 -7.140 0.666 1.00 0.00 O ATOM 633 ND2 ASN A 42 0.826 -6.279 0.603 1.00 0.00 N ATOM 0 H ASN A 42 -3.233 -2.949 2.465 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.629 -3.834 0.422 1.00 0.00 H new ATOM 0 HB2 ASN A 42 0.034 -4.525 2.130 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -1.166 -5.558 2.883 1.00 0.00 H new ATOM 0 HD21 ASN A 42 1.163 -7.016 -0.016 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.460 -5.543 0.912 1.00 0.00 H new ATOM 640 N PHE A 43 -4.150 -4.446 0.275 1.00 0.00 N ATOM 641 CA PHE A 43 -5.425 -5.083 -0.023 1.00 0.00 C ATOM 642 C PHE A 43 -5.369 -5.777 -1.378 1.00 0.00 C ATOM 643 O PHE A 43 -4.429 -5.566 -2.151 1.00 0.00 O ATOM 644 CB PHE A 43 -6.611 -4.104 -0.011 1.00 0.00 C ATOM 645 CG PHE A 43 -6.486 -2.845 0.827 1.00 0.00 C ATOM 646 CD1 PHE A 43 -5.869 -2.848 2.073 1.00 0.00 C ATOM 647 CD2 PHE A 43 -7.028 -1.657 0.365 1.00 0.00 C ATOM 648 CE1 PHE A 43 -5.790 -1.696 2.825 1.00 0.00 C ATOM 649 CE2 PHE A 43 -6.957 -0.504 1.119 1.00 0.00 C ATOM 650 CZ PHE A 43 -6.337 -0.524 2.348 1.00 0.00 C ATOM 0 H PHE A 43 -3.989 -3.566 -0.216 1.00 0.00 H new ATOM 0 HA PHE A 43 -5.591 -5.810 0.772 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -6.806 -3.802 -1.040 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -7.490 -4.649 0.333 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -5.446 -3.765 2.456 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -7.513 -1.633 -0.600 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -5.300 -1.711 3.787 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -7.387 0.413 0.746 1.00 0.00 H new ATOM 0 HZ PHE A 43 -6.279 0.378 2.938 1.00 0.00 H new ATOM 660 N LYS A 44 -6.383 -6.606 -1.655 1.00 0.00 N ATOM 661 CA LYS A 44 -6.450 -7.352 -2.925 1.00 0.00 C ATOM 662 C LYS A 44 -7.886 -7.473 -3.480 1.00 0.00 C ATOM 663 O LYS A 44 -8.083 -8.041 -4.560 1.00 0.00 O ATOM 664 CB LYS A 44 -5.841 -8.747 -2.738 1.00 0.00 C ATOM 665 CG LYS A 44 -5.350 -9.400 -4.028 1.00 0.00 C ATOM 666 CD LYS A 44 -4.759 -10.775 -3.765 1.00 0.00 C ATOM 667 CE LYS A 44 -4.270 -11.425 -5.049 1.00 0.00 C ATOM 668 NZ LYS A 44 -3.689 -12.773 -4.803 1.00 0.00 N ATOM 0 H LYS A 44 -7.165 -6.779 -1.024 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.877 -6.785 -3.659 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.006 -8.675 -2.041 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.586 -9.396 -2.277 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -6.178 -9.487 -4.731 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.599 -8.764 -4.497 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.931 -10.688 -3.062 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.510 -11.411 -3.297 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.099 -11.510 -5.751 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.520 -10.786 -5.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.367 -13.182 -5.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.882 -12.690 -4.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.411 -13.391 -4.381 1.00 0.00 H new ATOM 682 N SER A 45 -8.882 -6.945 -2.749 1.00 0.00 N ATOM 683 CA SER A 45 -10.296 -7.006 -3.180 1.00 0.00 C ATOM 684 C SER A 45 -11.172 -6.044 -2.359 1.00 0.00 C ATOM 685 O SER A 45 -10.652 -5.130 -1.714 1.00 0.00 O ATOM 686 CB SER A 45 -10.836 -8.454 -3.079 1.00 0.00 C ATOM 687 OG SER A 45 -10.761 -8.945 -1.752 1.00 0.00 O ATOM 0 H SER A 45 -8.738 -6.471 -1.857 1.00 0.00 H new ATOM 0 HA SER A 45 -10.340 -6.692 -4.223 1.00 0.00 H new ATOM 0 HB2 SER A 45 -11.871 -8.482 -3.420 1.00 0.00 H new ATOM 0 HB3 SER A 45 -10.264 -9.104 -3.741 1.00 0.00 H new ATOM 0 HG SER A 45 -9.824 -9.113 -1.518 1.00 0.00 H new ATOM 693 N ALA A 46 -12.504 -6.257 -2.395 1.00 0.00 N ATOM 694 CA ALA A 46 -13.467 -5.422 -1.669 1.00 0.00 C ATOM 695 C ALA A 46 -13.426 -5.669 -0.161 1.00 0.00 C ATOM 696 O ALA A 46 -13.540 -4.731 0.633 1.00 0.00 O ATOM 697 CB ALA A 46 -14.872 -5.649 -2.207 1.00 0.00 C ATOM 0 H ALA A 46 -12.935 -7.012 -2.928 1.00 0.00 H new ATOM 0 HA ALA A 46 -13.183 -4.382 -1.832 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -15.577 -5.023 -1.659 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.903 -5.390 -3.265 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -15.144 -6.697 -2.082 1.00 0.00 H new ATOM 703 N GLU A 47 -13.247 -6.939 0.214 1.00 0.00 N ATOM 704 CA GLU A 47 -13.167 -7.358 1.610 1.00 0.00 C ATOM 705 C GLU A 47 -11.881 -6.847 2.271 1.00 0.00 C ATOM 706 O GLU A 47 -11.883 -6.416 3.426 1.00 0.00 O ATOM 707 CB GLU A 47 -13.279 -8.890 1.703 1.00 0.00 C ATOM 708 CG GLU A 47 -12.254 -9.676 0.877 1.00 0.00 C ATOM 709 CD GLU A 47 -12.395 -11.191 0.993 1.00 0.00 C ATOM 710 OE1 GLU A 47 -13.296 -11.668 1.722 1.00 0.00 O ATOM 711 OE2 GLU A 47 -11.597 -11.905 0.351 1.00 0.00 O ATOM 0 H GLU A 47 -13.153 -7.708 -0.450 1.00 0.00 H new ATOM 0 HA GLU A 47 -14.001 -6.918 2.156 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.178 -9.182 2.748 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -14.279 -9.184 1.385 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -12.352 -9.391 -0.171 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.251 -9.389 1.193 1.00 0.00 H new ATOM 718 N ASP A 48 -10.804 -6.875 1.484 1.00 0.00 N ATOM 719 CA ASP A 48 -9.477 -6.406 1.876 1.00 0.00 C ATOM 720 C ASP A 48 -9.481 -4.900 2.143 1.00 0.00 C ATOM 721 O ASP A 48 -9.046 -4.409 3.184 1.00 0.00 O ATOM 722 CB ASP A 48 -8.524 -6.678 0.731 1.00 0.00 C ATOM 723 CG ASP A 48 -8.180 -8.146 0.541 1.00 0.00 C ATOM 724 OD1 ASP A 48 -7.656 -8.764 1.489 1.00 0.00 O ATOM 725 OD2 ASP A 48 -8.426 -8.674 -0.563 1.00 0.00 O ATOM 0 H ASP A 48 -10.833 -7.235 0.530 1.00 0.00 H new ATOM 0 HA ASP A 48 -9.175 -6.924 2.786 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.964 -6.297 -0.191 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -7.603 -6.120 0.899 1.00 0.00 H new ATOM 730 N CYS A 49 -9.975 -4.208 1.135 1.00 0.00 N ATOM 731 CA CYS A 49 -10.104 -2.756 1.079 1.00 0.00 C ATOM 732 C CYS A 49 -10.998 -2.194 2.202 1.00 0.00 C ATOM 733 O CYS A 49 -10.654 -1.192 2.854 1.00 0.00 O ATOM 734 CB CYS A 49 -10.721 -2.461 -0.281 1.00 0.00 C ATOM 735 SG CYS A 49 -10.345 -0.832 -0.990 1.00 0.00 S ATOM 0 H CYS A 49 -10.316 -4.662 0.288 1.00 0.00 H new ATOM 0 HA CYS A 49 -9.132 -2.282 1.216 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -10.388 -3.226 -0.982 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -11.803 -2.557 -0.195 1.00 0.00 H new ATOM 740 N MET A 50 -12.150 -2.854 2.400 1.00 0.00 N ATOM 741 CA MET A 50 -13.146 -2.459 3.400 1.00 0.00 C ATOM 742 C MET A 50 -12.721 -2.769 4.839 1.00 0.00 C ATOM 743 O MET A 50 -12.920 -1.951 5.735 1.00 0.00 O ATOM 744 CB MET A 50 -14.463 -3.147 3.089 1.00 0.00 C ATOM 745 CG MET A 50 -15.279 -2.458 2.001 1.00 0.00 C ATOM 746 SD MET A 50 -16.844 -3.292 1.645 1.00 0.00 S ATOM 747 CE MET A 50 -17.818 -2.886 3.097 1.00 0.00 C ATOM 0 H MET A 50 -12.415 -3.681 1.866 1.00 0.00 H new ATOM 0 HA MET A 50 -13.251 -1.376 3.339 1.00 0.00 H new ATOM 0 HB2 MET A 50 -14.262 -4.174 2.783 1.00 0.00 H new ATOM 0 HB3 MET A 50 -15.059 -3.197 4.000 1.00 0.00 H new ATOM 0 HG2 MET A 50 -15.483 -1.431 2.305 1.00 0.00 H new ATOM 0 HG3 MET A 50 -14.686 -2.408 1.088 1.00 0.00 H new ATOM 0 HE1 MET A 50 -18.843 -3.230 2.955 1.00 0.00 H new ATOM 0 HE2 MET A 50 -17.389 -3.375 3.971 1.00 0.00 H new ATOM 0 HE3 MET A 50 -17.815 -1.806 3.247 1.00 0.00 H new ATOM 757 N ARG A 51 -12.147 -3.956 5.051 1.00 0.00 N ATOM 758 CA ARG A 51 -11.695 -4.395 6.382 1.00 0.00 C ATOM 759 C ARG A 51 -10.665 -3.432 6.999 1.00 0.00 C ATOM 760 O ARG A 51 -10.601 -3.273 8.222 1.00 0.00 O ATOM 761 CB ARG A 51 -11.079 -5.802 6.280 1.00 0.00 C ATOM 762 CG ARG A 51 -9.760 -5.840 5.517 1.00 0.00 C ATOM 763 CD ARG A 51 -9.312 -7.238 5.175 1.00 0.00 C ATOM 764 NE ARG A 51 -7.996 -7.218 4.527 1.00 0.00 N ATOM 765 CZ ARG A 51 -7.217 -8.293 4.342 1.00 0.00 C ATOM 766 NH1 ARG A 51 -7.596 -9.499 4.763 1.00 0.00 N ATOM 767 NH2 ARG A 51 -6.049 -8.158 3.730 1.00 0.00 N ATOM 0 H ARG A 51 -11.981 -4.639 4.312 1.00 0.00 H new ATOM 0 HA ARG A 51 -12.568 -4.406 7.034 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -10.918 -6.192 7.285 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -11.791 -6.466 5.790 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -9.863 -5.263 4.598 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -8.988 -5.354 6.114 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -9.267 -7.843 6.081 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -10.041 -7.707 4.514 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.648 -6.319 4.192 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.493 -9.616 5.235 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -6.990 -10.305 4.613 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -5.748 -7.240 3.403 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -5.452 -8.972 3.586 1.00 0.00 H new ATOM 781 N THR A 52 -9.833 -2.851 6.127 1.00 0.00 N ATOM 782 CA THR A 52 -8.758 -1.966 6.542 1.00 0.00 C ATOM 783 C THR A 52 -9.199 -0.493 6.694 1.00 0.00 C ATOM 784 O THR A 52 -9.004 0.091 7.763 1.00 0.00 O ATOM 785 CB THR A 52 -7.577 -2.077 5.578 1.00 0.00 C ATOM 786 OG1 THR A 52 -7.385 -3.419 5.162 1.00 0.00 O ATOM 787 CG2 THR A 52 -6.257 -1.606 6.169 1.00 0.00 C ATOM 0 H THR A 52 -9.892 -2.986 5.118 1.00 0.00 H new ATOM 0 HA THR A 52 -8.451 -2.296 7.535 1.00 0.00 H new ATOM 0 HB THR A 52 -7.842 -1.428 4.743 1.00 0.00 H new ATOM 0 HG1 THR A 52 -8.035 -3.641 4.463 1.00 0.00 H new ATOM 0 HG21 THR A 52 -5.466 -1.715 5.427 1.00 0.00 H new ATOM 0 HG22 THR A 52 -6.341 -0.559 6.458 1.00 0.00 H new ATOM 0 HG23 THR A 52 -6.016 -2.207 7.046 1.00 0.00 H new ATOM 795 N CYS A 53 -9.758 0.114 5.624 1.00 0.00 N ATOM 796 CA CYS A 53 -10.168 1.533 5.686 1.00 0.00 C ATOM 797 C CYS A 53 -11.685 1.734 5.559 1.00 0.00 C ATOM 798 O CYS A 53 -12.173 2.861 5.714 1.00 0.00 O ATOM 799 CB CYS A 53 -9.456 2.345 4.595 1.00 0.00 C ATOM 800 SG CYS A 53 -7.633 2.347 4.699 1.00 0.00 S ATOM 0 H CYS A 53 -9.932 -0.343 4.729 1.00 0.00 H new ATOM 0 HA CYS A 53 -9.876 1.888 6.674 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -9.749 1.952 3.621 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -9.809 3.375 4.642 1.00 0.00 H new ATOM 805 N GLY A 54 -12.428 0.655 5.280 1.00 0.00 N ATOM 806 CA GLY A 54 -13.882 0.749 5.135 1.00 0.00 C ATOM 807 C GLY A 54 -14.620 0.764 6.466 1.00 0.00 C ATOM 808 O GLY A 54 -15.460 1.638 6.701 1.00 0.00 O ATOM 0 H GLY A 54 -12.049 -0.283 5.152 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -14.127 1.655 4.581 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -14.236 -0.093 4.541 1.00 0.00 H new ATOM 812 N GLY A 55 -14.299 -0.205 7.330 1.00 0.00 N ATOM 813 CA GLY A 55 -14.934 -0.298 8.637 1.00 0.00 C ATOM 814 C GLY A 55 -16.045 -1.329 8.671 1.00 0.00 C ATOM 815 O GLY A 55 -17.221 -0.984 8.519 1.00 0.00 O ATOM 0 H GLY A 55 -13.606 -0.930 7.144 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -14.183 -0.553 9.385 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -15.339 0.676 8.911 1.00 0.00 H new ATOM 819 N ALA A 56 -15.667 -2.595 8.872 1.00 0.00 N ATOM 820 CA ALA A 56 -16.626 -3.697 8.928 1.00 0.00 C ATOM 821 C ALA A 56 -16.909 -4.105 10.369 1.00 0.00 C ATOM 822 O ALA A 56 -15.947 -4.175 11.163 1.00 0.00 O ATOM 823 CB ALA A 56 -16.108 -4.887 8.133 1.00 0.00 C ATOM 824 OXT ALA A 56 -18.090 -4.350 10.693 1.00 0.00 O ATOM 0 H ALA A 56 -14.696 -2.881 8.999 1.00 0.00 H new ATOM 0 HA ALA A 56 -17.561 -3.356 8.484 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -16.832 -5.701 8.183 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -15.962 -4.594 7.093 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -15.159 -5.220 8.553 1.00 0.00 H new TER 830 ALA A 56