USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 638 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 65 GLN : amide:sc= -0.152 K(o=-0.19,f=-2.7!) USER MOD Set 1.2: A 67 HIS : no HE2:sc= -0.0411 K(o=-0.19,f=-0.77) USER MOD Set 2.1: A 41 LYS NZ :NH3+ -137:sc= 0.594 (180deg=-0.0871) USER MOD Set 2.2: A 80 MET CE :methyl 155:sc= -0.0256 (180deg=-0.93) USER MOD Single : A 12 THR OG1 : rot 118:sc= 0.849 USER MOD Single : A 13 GLN : amide:sc= -0.124 X(o=-0.12,f=0) USER MOD Single : A 16 LYS NZ :NH3+ -158:sc= 0.887 (180deg=0.553) USER MOD Single : A 17 THR OG1 : rot 160:sc= -0.273 USER MOD Single : A 18 LYS NZ :NH3+ 164:sc= -0.0144 (180deg=-0.193) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -16:sc= 0.572 USER MOD Single : A 29 GLN : amide:sc=-0.00258 X(o=-0.0026,f=-0.23) USER MOD Single : A 30 CYS SG : rot -110:sc= -1.31 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -155:sc= -0.221 (180deg=-0.946) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.132 USER MOD Single : A 53 TYR OH : rot 40:sc= 0.737 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= 0.379 X(o=0.38,f=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 CYS SG : rot 5:sc= 0 USER MOD Single : A 70 SER OG : rot 29:sc= 0.979 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 105:sc= 0.335 USER MOD Single : A 81 CYS SG : rot 55:sc= -4.39! USER MOD Single : A 83 GLN : amide:sc= -0.376 X(o=-0.38,f=-0.38) USER MOD Single : A 86 THR OG1 : rot 100:sc= -1.21 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N ALA A 9 11.452 23.766 -2.886 1.00 0.00 N ATOM 81 CA ALA A 9 11.078 23.349 -1.540 1.00 0.00 C ATOM 82 C ALA A 9 11.943 22.186 -1.066 1.00 0.00 C ATOM 83 O ALA A 9 12.244 21.271 -1.833 1.00 0.00 O ATOM 84 CB ALA A 9 9.606 22.966 -1.496 1.00 0.00 C ATOM 0 HA ALA A 9 11.244 24.190 -0.866 1.00 0.00 H new ATOM 0 HB1 ALA A 9 9.341 22.657 -0.485 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.998 23.824 -1.784 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.423 22.143 -2.187 1.00 0.00 H new ATOM 90 N ARG A 10 12.340 22.228 0.202 1.00 0.00 N ATOM 91 CA ARG A 10 13.173 21.178 0.777 1.00 0.00 C ATOM 92 C ARG A 10 12.403 20.393 1.835 1.00 0.00 C ATOM 93 O ARG A 10 11.547 20.942 2.530 1.00 0.00 O ATOM 94 CB ARG A 10 14.437 21.780 1.392 1.00 0.00 C ATOM 95 CG ARG A 10 14.161 22.732 2.544 1.00 0.00 C ATOM 96 CD ARG A 10 15.375 22.880 3.448 1.00 0.00 C ATOM 97 NE ARG A 10 15.123 23.796 4.557 1.00 0.00 N ATOM 98 CZ ARG A 10 15.206 25.118 4.452 1.00 0.00 C ATOM 99 NH1 ARG A 10 15.533 25.675 3.294 1.00 0.00 N ATOM 100 NH2 ARG A 10 14.962 25.885 5.507 1.00 0.00 N ATOM 0 H ARG A 10 12.098 22.977 0.850 1.00 0.00 H new ATOM 0 HA ARG A 10 13.457 20.494 -0.023 1.00 0.00 H new ATOM 0 HB2 ARG A 10 15.079 20.973 1.745 1.00 0.00 H new ATOM 0 HB3 ARG A 10 14.990 22.311 0.617 1.00 0.00 H new ATOM 0 HG2 ARG A 10 13.878 23.708 2.151 1.00 0.00 H new ATOM 0 HG3 ARG A 10 13.315 22.365 3.126 1.00 0.00 H new ATOM 0 HD2 ARG A 10 15.655 21.903 3.841 1.00 0.00 H new ATOM 0 HD3 ARG A 10 16.220 23.243 2.863 1.00 0.00 H new ATOM 0 HE ARG A 10 14.869 23.399 5.462 1.00 0.00 H new ATOM 0 HH11 ARG A 10 15.722 25.088 2.481 1.00 0.00 H new ATOM 0 HH12 ARG A 10 15.596 26.690 3.216 1.00 0.00 H new ATOM 0 HH21 ARG A 10 14.711 25.460 6.399 1.00 0.00 H new ATOM 0 HH22 ARG A 10 15.026 26.900 5.426 1.00 0.00 H new ATOM 114 N PHE A 11 12.714 19.107 1.952 1.00 0.00 N ATOM 115 CA PHE A 11 12.051 18.245 2.925 1.00 0.00 C ATOM 116 C PHE A 11 12.474 18.604 4.346 1.00 0.00 C ATOM 117 O PHE A 11 13.633 18.936 4.597 1.00 0.00 O ATOM 118 CB PHE A 11 12.373 16.777 2.640 1.00 0.00 C ATOM 119 CG PHE A 11 11.631 16.219 1.460 1.00 0.00 C ATOM 120 CD1 PHE A 11 10.364 15.679 1.613 1.00 0.00 C ATOM 121 CD2 PHE A 11 12.201 16.233 0.197 1.00 0.00 C ATOM 122 CE1 PHE A 11 9.679 15.165 0.528 1.00 0.00 C ATOM 123 CE2 PHE A 11 11.521 15.721 -0.891 1.00 0.00 C ATOM 124 CZ PHE A 11 10.258 15.185 -0.725 1.00 0.00 C ATOM 0 H PHE A 11 13.421 18.638 1.386 1.00 0.00 H new ATOM 0 HA PHE A 11 10.975 18.398 2.835 1.00 0.00 H new ATOM 0 HB2 PHE A 11 13.444 16.675 2.467 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.135 16.183 3.523 1.00 0.00 H new ATOM 0 HD1 PHE A 11 9.907 15.660 2.591 1.00 0.00 H new ATOM 0 HD2 PHE A 11 13.188 16.649 0.062 1.00 0.00 H new ATOM 0 HE1 PHE A 11 8.692 14.748 0.660 1.00 0.00 H new ATOM 0 HE2 PHE A 11 11.976 15.740 -1.870 1.00 0.00 H new ATOM 0 HZ PHE A 11 9.725 14.783 -1.574 1.00 0.00 H new ATOM 134 N THR A 12 11.525 18.536 5.275 1.00 0.00 N ATOM 135 CA THR A 12 11.797 18.855 6.671 1.00 0.00 C ATOM 136 C THR A 12 11.633 17.626 7.558 1.00 0.00 C ATOM 137 O THR A 12 12.287 17.506 8.594 1.00 0.00 O ATOM 138 CB THR A 12 10.868 19.971 7.183 1.00 0.00 C ATOM 139 OG1 THR A 12 9.499 19.583 7.020 1.00 0.00 O ATOM 140 CG2 THR A 12 11.124 21.273 6.439 1.00 0.00 C ATOM 0 H THR A 12 10.561 18.263 5.085 1.00 0.00 H new ATOM 0 HA THR A 12 12.830 19.200 6.721 1.00 0.00 H new ATOM 0 HB THR A 12 11.076 20.129 8.241 1.00 0.00 H new ATOM 0 HG1 THR A 12 9.067 19.530 7.898 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.456 22.046 6.818 1.00 0.00 H new ATOM 0 HG22 THR A 12 12.159 21.581 6.590 1.00 0.00 H new ATOM 0 HG23 THR A 12 10.941 21.126 5.375 1.00 0.00 H new ATOM 148 N GLN A 13 10.758 16.715 7.143 1.00 0.00 N ATOM 149 CA GLN A 13 10.509 15.495 7.902 1.00 0.00 C ATOM 150 C GLN A 13 10.707 14.261 7.027 1.00 0.00 C ATOM 151 O GLN A 13 9.910 13.991 6.128 1.00 0.00 O ATOM 152 CB GLN A 13 9.092 15.506 8.476 1.00 0.00 C ATOM 153 CG GLN A 13 9.001 16.131 9.859 1.00 0.00 C ATOM 154 CD GLN A 13 9.284 15.137 10.968 1.00 0.00 C ATOM 155 OE1 GLN A 13 10.224 15.307 11.745 1.00 0.00 O ATOM 156 NE2 GLN A 13 8.470 14.091 11.048 1.00 0.00 N ATOM 0 H GLN A 13 10.210 16.799 6.286 1.00 0.00 H new ATOM 0 HA GLN A 13 11.225 15.455 8.723 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.438 16.052 7.796 1.00 0.00 H new ATOM 0 HB3 GLN A 13 8.720 14.482 8.524 1.00 0.00 H new ATOM 0 HG2 GLN A 13 9.709 16.957 9.927 1.00 0.00 H new ATOM 0 HG3 GLN A 13 8.005 16.552 9.999 1.00 0.00 H new ATOM 0 HE21 GLN A 13 7.703 13.989 10.383 1.00 0.00 H new ATOM 0 HE22 GLN A 13 8.611 13.389 11.774 1.00 0.00 H new ATOM 165 N ASP A 14 11.773 13.516 7.296 1.00 0.00 N ATOM 166 CA ASP A 14 12.074 12.309 6.534 1.00 0.00 C ATOM 167 C ASP A 14 10.795 11.560 6.174 1.00 0.00 C ATOM 168 O ASP A 14 9.826 11.564 6.933 1.00 0.00 O ATOM 169 CB ASP A 14 13.007 11.397 7.332 1.00 0.00 C ATOM 170 CG ASP A 14 12.327 10.792 8.545 1.00 0.00 C ATOM 171 OD1 ASP A 14 11.865 11.564 9.411 1.00 0.00 O ATOM 172 OD2 ASP A 14 12.259 9.548 8.629 1.00 0.00 O ATOM 0 H ASP A 14 12.443 13.726 8.036 1.00 0.00 H new ATOM 0 HA ASP A 14 12.571 12.606 5.610 1.00 0.00 H new ATOM 0 HB2 ASP A 14 13.369 10.598 6.686 1.00 0.00 H new ATOM 0 HB3 ASP A 14 13.879 11.966 7.654 1.00 0.00 H new ATOM 177 N LEU A 15 10.799 10.920 5.010 1.00 0.00 N ATOM 178 CA LEU A 15 9.639 10.167 4.547 1.00 0.00 C ATOM 179 C LEU A 15 9.285 9.055 5.528 1.00 0.00 C ATOM 180 O LEU A 15 10.166 8.426 6.115 1.00 0.00 O ATOM 181 CB LEU A 15 9.910 9.575 3.163 1.00 0.00 C ATOM 182 CG LEU A 15 8.691 9.405 2.255 1.00 0.00 C ATOM 183 CD1 LEU A 15 9.125 9.161 0.818 1.00 0.00 C ATOM 184 CD2 LEU A 15 7.812 8.265 2.749 1.00 0.00 C ATOM 0 H LEU A 15 11.593 10.908 4.370 1.00 0.00 H new ATOM 0 HA LEU A 15 8.794 10.852 4.483 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.632 10.212 2.652 1.00 0.00 H new ATOM 0 HB3 LEU A 15 10.380 8.600 3.293 1.00 0.00 H new ATOM 0 HG LEU A 15 8.109 10.326 2.286 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.244 9.042 0.187 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.712 10.009 0.466 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.730 8.256 0.769 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.950 8.159 2.091 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.385 7.338 2.749 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.471 8.481 3.762 1.00 0.00 H new ATOM 196 N LYS A 16 7.989 8.815 5.701 1.00 0.00 N ATOM 197 CA LYS A 16 7.517 7.776 6.608 1.00 0.00 C ATOM 198 C LYS A 16 6.749 6.699 5.849 1.00 0.00 C ATOM 199 O LYS A 16 6.075 6.983 4.858 1.00 0.00 O ATOM 200 CB LYS A 16 6.625 8.384 7.693 1.00 0.00 C ATOM 201 CG LYS A 16 5.723 7.372 8.377 1.00 0.00 C ATOM 202 CD LYS A 16 4.390 7.238 7.661 1.00 0.00 C ATOM 203 CE LYS A 16 3.641 5.991 8.106 1.00 0.00 C ATOM 204 NZ LYS A 16 2.195 6.059 7.758 1.00 0.00 N ATOM 0 H LYS A 16 7.247 9.327 5.224 1.00 0.00 H new ATOM 0 HA LYS A 16 8.387 7.315 7.077 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.255 8.862 8.443 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.009 9.166 7.249 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.220 6.402 8.407 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.553 7.675 9.410 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.780 8.120 7.858 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.556 7.199 6.584 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.086 5.113 7.638 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.750 5.867 9.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.659 5.413 8.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.851 7.031 7.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.063 5.780 6.765 1.00 0.00 H new ATOM 218 N THR A 17 6.854 5.460 6.321 1.00 0.00 N ATOM 219 CA THR A 17 6.170 4.340 5.687 1.00 0.00 C ATOM 220 C THR A 17 5.612 3.376 6.728 1.00 0.00 C ATOM 221 O THR A 17 5.818 3.555 7.928 1.00 0.00 O ATOM 222 CB THR A 17 7.110 3.569 4.742 1.00 0.00 C ATOM 223 OG1 THR A 17 6.440 2.419 4.215 1.00 0.00 O ATOM 224 CG2 THR A 17 8.374 3.136 5.471 1.00 0.00 C ATOM 0 H THR A 17 7.406 5.207 7.140 1.00 0.00 H new ATOM 0 HA THR A 17 5.348 4.760 5.107 1.00 0.00 H new ATOM 0 HB THR A 17 7.390 4.232 3.924 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.894 2.121 3.399 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.023 2.593 4.783 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.897 4.016 5.846 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.108 2.489 6.307 1.00 0.00 H new ATOM 232 N LYS A 18 4.904 2.353 6.261 1.00 0.00 N ATOM 233 CA LYS A 18 4.317 1.359 7.151 1.00 0.00 C ATOM 234 C LYS A 18 4.422 -0.039 6.549 1.00 0.00 C ATOM 235 O LYS A 18 4.779 -0.197 5.382 1.00 0.00 O ATOM 236 CB LYS A 18 2.851 1.696 7.430 1.00 0.00 C ATOM 237 CG LYS A 18 1.951 1.551 6.215 1.00 0.00 C ATOM 238 CD LYS A 18 1.367 0.151 6.118 1.00 0.00 C ATOM 239 CE LYS A 18 0.245 -0.055 7.124 1.00 0.00 C ATOM 240 NZ LYS A 18 -0.973 0.722 6.763 1.00 0.00 N ATOM 0 H LYS A 18 4.723 2.191 5.270 1.00 0.00 H new ATOM 0 HA LYS A 18 4.872 1.375 8.089 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.483 1.047 8.224 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.786 2.719 7.799 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.143 2.280 6.270 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.519 1.773 5.312 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.989 -0.018 5.110 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.152 -0.585 6.291 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.003 -1.115 7.179 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.586 0.244 8.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.788 0.359 7.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.826 1.725 6.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.157 0.625 5.744 1.00 0.00 H new ATOM 254 N GLU A 19 4.109 -1.050 7.354 1.00 0.00 N ATOM 255 CA GLU A 19 4.168 -2.434 6.899 1.00 0.00 C ATOM 256 C GLU A 19 2.768 -3.031 6.788 1.00 0.00 C ATOM 257 O GLU A 19 1.960 -2.922 7.710 1.00 0.00 O ATOM 258 CB GLU A 19 5.017 -3.273 7.856 1.00 0.00 C ATOM 259 CG GLU A 19 4.232 -3.845 9.025 1.00 0.00 C ATOM 260 CD GLU A 19 3.784 -2.777 10.005 1.00 0.00 C ATOM 261 OE1 GLU A 19 4.621 -2.325 10.813 1.00 0.00 O ATOM 262 OE2 GLU A 19 2.596 -2.395 9.963 1.00 0.00 O ATOM 0 H GLU A 19 3.812 -0.936 8.323 1.00 0.00 H new ATOM 0 HA GLU A 19 4.628 -2.445 5.911 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.473 -4.092 7.300 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.830 -2.658 8.242 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.358 -4.375 8.646 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.847 -4.577 9.548 1.00 0.00 H new ATOM 269 N ALA A 20 2.488 -3.661 5.652 1.00 0.00 N ATOM 270 CA ALA A 20 1.187 -4.276 5.420 1.00 0.00 C ATOM 271 C ALA A 20 1.336 -5.650 4.775 1.00 0.00 C ATOM 272 O ALA A 20 2.419 -6.018 4.320 1.00 0.00 O ATOM 273 CB ALA A 20 0.324 -3.374 4.550 1.00 0.00 C ATOM 0 H ALA A 20 3.145 -3.759 4.878 1.00 0.00 H new ATOM 0 HA ALA A 20 0.698 -4.408 6.385 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.645 -3.846 4.385 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.180 -2.416 5.049 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.817 -3.213 3.591 1.00 0.00 H new ATOM 279 N SER A 21 0.242 -6.404 4.740 1.00 0.00 N ATOM 280 CA SER A 21 0.253 -7.739 4.155 1.00 0.00 C ATOM 281 C SER A 21 -0.090 -7.684 2.669 1.00 0.00 C ATOM 282 O SER A 21 -0.532 -6.654 2.162 1.00 0.00 O ATOM 283 CB SER A 21 -0.738 -8.647 4.885 1.00 0.00 C ATOM 284 OG SER A 21 -2.076 -8.287 4.587 1.00 0.00 O ATOM 0 H SER A 21 -0.663 -6.113 5.110 1.00 0.00 H new ATOM 0 HA SER A 21 1.258 -8.148 4.264 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.565 -9.684 4.598 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.572 -8.582 5.960 1.00 0.00 H new ATOM 0 HG SER A 21 -2.689 -8.884 5.065 1.00 0.00 H new ATOM 290 N GLU A 22 0.118 -8.801 1.978 1.00 0.00 N ATOM 291 CA GLU A 22 -0.169 -8.880 0.551 1.00 0.00 C ATOM 292 C GLU A 22 -1.640 -8.585 0.274 1.00 0.00 C ATOM 293 O GLU A 22 -2.527 -9.288 0.757 1.00 0.00 O ATOM 294 CB GLU A 22 0.196 -10.264 0.010 1.00 0.00 C ATOM 295 CG GLU A 22 1.650 -10.387 -0.416 1.00 0.00 C ATOM 296 CD GLU A 22 1.985 -11.764 -0.954 1.00 0.00 C ATOM 297 OE1 GLU A 22 1.596 -12.763 -0.313 1.00 0.00 O ATOM 298 OE2 GLU A 22 2.638 -11.843 -2.016 1.00 0.00 O ATOM 0 H GLU A 22 0.484 -9.663 2.383 1.00 0.00 H new ATOM 0 HA GLU A 22 0.436 -8.129 0.043 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.014 -11.011 0.775 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.444 -10.492 -0.842 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.865 -9.640 -1.180 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.294 -10.167 0.435 1.00 0.00 H new ATOM 305 N GLY A 23 -1.892 -7.540 -0.508 1.00 0.00 N ATOM 306 CA GLY A 23 -3.257 -7.169 -0.835 1.00 0.00 C ATOM 307 C GLY A 23 -3.724 -5.946 -0.073 1.00 0.00 C ATOM 308 O GLY A 23 -4.654 -5.260 -0.496 1.00 0.00 O ATOM 0 H GLY A 23 -1.175 -6.943 -0.921 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.331 -6.977 -1.905 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.920 -8.006 -0.615 1.00 0.00 H new ATOM 312 N ALA A 24 -3.080 -5.672 1.057 1.00 0.00 N ATOM 313 CA ALA A 24 -3.435 -4.523 1.880 1.00 0.00 C ATOM 314 C ALA A 24 -3.040 -3.217 1.200 1.00 0.00 C ATOM 315 O ALA A 24 -2.559 -3.216 0.066 1.00 0.00 O ATOM 316 CB ALA A 24 -2.775 -4.629 3.247 1.00 0.00 C ATOM 0 H ALA A 24 -2.309 -6.231 1.423 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.517 -4.521 2.010 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.049 -3.764 3.851 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.111 -5.539 3.743 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.692 -4.659 3.127 1.00 0.00 H new ATOM 322 N THR A 25 -3.246 -2.105 1.898 1.00 0.00 N ATOM 323 CA THR A 25 -2.913 -0.792 1.361 1.00 0.00 C ATOM 324 C THR A 25 -1.891 -0.081 2.240 1.00 0.00 C ATOM 325 O THR A 25 -2.077 0.042 3.450 1.00 0.00 O ATOM 326 CB THR A 25 -4.166 0.095 1.230 1.00 0.00 C ATOM 327 OG1 THR A 25 -5.123 -0.533 0.370 1.00 0.00 O ATOM 328 CG2 THR A 25 -3.803 1.466 0.678 1.00 0.00 C ATOM 0 H THR A 25 -3.642 -2.088 2.838 1.00 0.00 H new ATOM 0 HA THR A 25 -2.486 -0.954 0.371 1.00 0.00 H new ATOM 0 HB THR A 25 -4.599 0.223 2.222 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.917 0.036 0.293 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.703 2.075 0.594 1.00 0.00 H new ATOM 0 HG22 THR A 25 -3.097 1.953 1.350 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.349 1.353 -0.306 1.00 0.00 H new ATOM 336 N ALA A 26 -0.810 0.386 1.623 1.00 0.00 N ATOM 337 CA ALA A 26 0.241 1.087 2.349 1.00 0.00 C ATOM 338 C ALA A 26 -0.115 2.557 2.547 1.00 0.00 C ATOM 339 O ALA A 26 -1.132 3.034 2.043 1.00 0.00 O ATOM 340 CB ALA A 26 1.567 0.957 1.614 1.00 0.00 C ATOM 0 H ALA A 26 -0.640 0.291 0.622 1.00 0.00 H new ATOM 0 HA ALA A 26 0.337 0.628 3.333 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.343 1.485 2.168 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.835 -0.096 1.530 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.474 1.389 0.617 1.00 0.00 H new ATOM 346 N THR A 27 0.730 3.271 3.285 1.00 0.00 N ATOM 347 CA THR A 27 0.503 4.686 3.551 1.00 0.00 C ATOM 348 C THR A 27 1.804 5.392 3.914 1.00 0.00 C ATOM 349 O THR A 27 2.347 5.194 5.002 1.00 0.00 O ATOM 350 CB THR A 27 -0.513 4.888 4.690 1.00 0.00 C ATOM 351 OG1 THR A 27 -1.736 4.209 4.383 1.00 0.00 O ATOM 352 CG2 THR A 27 -0.791 6.367 4.912 1.00 0.00 C ATOM 0 H THR A 27 1.577 2.892 3.709 1.00 0.00 H new ATOM 0 HA THR A 27 0.101 5.119 2.635 1.00 0.00 H new ATOM 0 HB THR A 27 -0.087 4.473 5.604 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.760 3.994 3.427 1.00 0.00 H new ATOM 0 HG21 THR A 27 -1.512 6.484 5.721 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.136 6.876 5.175 1.00 0.00 H new ATOM 0 HG23 THR A 27 -1.197 6.802 3.999 1.00 0.00 H new ATOM 360 N LEU A 28 2.299 6.218 2.999 1.00 0.00 N ATOM 361 CA LEU A 28 3.538 6.956 3.224 1.00 0.00 C ATOM 362 C LEU A 28 3.261 8.445 3.398 1.00 0.00 C ATOM 363 O LEU A 28 2.711 9.092 2.507 1.00 0.00 O ATOM 364 CB LEU A 28 4.503 6.738 2.057 1.00 0.00 C ATOM 365 CG LEU A 28 4.820 5.283 1.711 1.00 0.00 C ATOM 366 CD1 LEU A 28 3.837 4.753 0.679 1.00 0.00 C ATOM 367 CD2 LEU A 28 6.249 5.155 1.203 1.00 0.00 C ATOM 0 H LEU A 28 1.862 6.394 2.094 1.00 0.00 H new ATOM 0 HA LEU A 28 3.994 6.581 4.140 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.086 7.218 1.172 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.439 7.248 2.285 1.00 0.00 H new ATOM 0 HG LEU A 28 4.722 4.685 2.617 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.079 3.716 0.445 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.825 4.808 1.079 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.902 5.354 -0.228 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.457 4.113 0.962 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.374 5.766 0.309 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.941 5.494 1.974 1.00 0.00 H new ATOM 379 N GLN A 29 3.647 8.983 4.551 1.00 0.00 N ATOM 380 CA GLN A 29 3.441 10.397 4.841 1.00 0.00 C ATOM 381 C GLN A 29 4.772 11.137 4.914 1.00 0.00 C ATOM 382 O GLN A 29 5.738 10.642 5.497 1.00 0.00 O ATOM 383 CB GLN A 29 2.678 10.564 6.156 1.00 0.00 C ATOM 384 CG GLN A 29 1.245 10.060 6.096 1.00 0.00 C ATOM 385 CD GLN A 29 0.654 9.815 7.470 1.00 0.00 C ATOM 386 OE1 GLN A 29 1.003 10.492 8.438 1.00 0.00 O ATOM 387 NE2 GLN A 29 -0.246 8.844 7.564 1.00 0.00 N ATOM 0 H GLN A 29 4.104 8.461 5.299 1.00 0.00 H new ATOM 0 HA GLN A 29 2.852 10.826 4.031 1.00 0.00 H new ATOM 0 HB2 GLN A 29 3.209 10.031 6.945 1.00 0.00 H new ATOM 0 HB3 GLN A 29 2.672 11.619 6.432 1.00 0.00 H new ATOM 0 HG2 GLN A 29 0.630 10.787 5.565 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.213 9.135 5.521 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -0.506 8.308 6.736 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -0.678 8.634 8.464 1.00 0.00 H new ATOM 396 N CYS A 30 4.817 12.324 4.320 1.00 0.00 N ATOM 397 CA CYS A 30 6.031 13.133 4.317 1.00 0.00 C ATOM 398 C CYS A 30 5.702 14.608 4.522 1.00 0.00 C ATOM 399 O CYS A 30 4.535 14.993 4.563 1.00 0.00 O ATOM 400 CB CYS A 30 6.791 12.945 3.003 1.00 0.00 C ATOM 401 SG CYS A 30 6.017 13.751 1.581 1.00 0.00 S ATOM 0 H CYS A 30 4.027 12.748 3.834 1.00 0.00 H new ATOM 0 HA CYS A 30 6.661 12.802 5.143 1.00 0.00 H new ATOM 0 HB2 CYS A 30 7.802 13.334 3.122 1.00 0.00 H new ATOM 0 HB3 CYS A 30 6.882 11.878 2.798 1.00 0.00 H new ATOM 0 HG CYS A 30 5.537 12.848 0.779 1.00 0.00 H new ATOM 407 N GLU A 31 6.741 15.428 4.652 1.00 0.00 N ATOM 408 CA GLU A 31 6.561 16.860 4.856 1.00 0.00 C ATOM 409 C GLU A 31 7.479 17.660 3.936 1.00 0.00 C ATOM 410 O GLU A 31 8.410 17.114 3.342 1.00 0.00 O ATOM 411 CB GLU A 31 6.837 17.229 6.316 1.00 0.00 C ATOM 412 CG GLU A 31 6.054 18.439 6.796 1.00 0.00 C ATOM 413 CD GLU A 31 6.259 18.718 8.272 1.00 0.00 C ATOM 414 OE1 GLU A 31 7.387 19.094 8.653 1.00 0.00 O ATOM 415 OE2 GLU A 31 5.292 18.561 9.046 1.00 0.00 O ATOM 0 H GLU A 31 7.714 15.125 4.620 1.00 0.00 H new ATOM 0 HA GLU A 31 5.527 17.108 4.615 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.595 16.376 6.950 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.902 17.425 6.437 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.355 19.314 6.219 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.993 18.280 6.604 1.00 0.00 H new ATOM 422 N LEU A 32 7.211 18.956 3.823 1.00 0.00 N ATOM 423 CA LEU A 32 8.011 19.833 2.975 1.00 0.00 C ATOM 424 C LEU A 32 8.120 21.227 3.583 1.00 0.00 C ATOM 425 O LEU A 32 7.253 21.652 4.346 1.00 0.00 O ATOM 426 CB LEU A 32 7.399 19.920 1.576 1.00 0.00 C ATOM 427 CG LEU A 32 7.388 18.622 0.767 1.00 0.00 C ATOM 428 CD1 LEU A 32 6.330 18.684 -0.325 1.00 0.00 C ATOM 429 CD2 LEU A 32 8.761 18.355 0.168 1.00 0.00 C ATOM 0 H LEU A 32 6.445 19.423 4.308 1.00 0.00 H new ATOM 0 HA LEU A 32 9.013 19.410 2.900 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.373 20.274 1.671 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.945 20.674 1.009 1.00 0.00 H new ATOM 0 HG LEU A 32 7.141 17.799 1.438 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.336 17.752 -0.891 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.349 18.828 0.127 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.546 19.516 -0.995 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.734 17.428 -0.404 1.00 0.00 H new ATOM 0 HD22 LEU A 32 9.038 19.179 -0.490 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.496 18.267 0.968 1.00 0.00 H new ATOM 441 N SER A 33 9.190 21.936 3.237 1.00 0.00 N ATOM 442 CA SER A 33 9.413 23.283 3.750 1.00 0.00 C ATOM 443 C SER A 33 8.272 24.213 3.349 1.00 0.00 C ATOM 444 O SER A 33 7.997 25.205 4.024 1.00 0.00 O ATOM 445 CB SER A 33 10.742 23.835 3.231 1.00 0.00 C ATOM 446 OG SER A 33 10.811 25.241 3.398 1.00 0.00 O ATOM 0 H SER A 33 9.916 21.600 2.604 1.00 0.00 H new ATOM 0 HA SER A 33 9.450 23.230 4.838 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.568 23.362 3.762 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.856 23.585 2.176 1.00 0.00 H new ATOM 0 HG SER A 33 11.670 25.569 3.060 1.00 0.00 H new ATOM 452 N LYS A 34 7.610 23.885 2.244 1.00 0.00 N ATOM 453 CA LYS A 34 6.498 24.688 1.751 1.00 0.00 C ATOM 454 C LYS A 34 5.742 23.952 0.649 1.00 0.00 C ATOM 455 O LYS A 34 6.298 23.087 -0.028 1.00 0.00 O ATOM 456 CB LYS A 34 7.006 26.032 1.226 1.00 0.00 C ATOM 457 CG LYS A 34 7.951 25.906 0.044 1.00 0.00 C ATOM 458 CD LYS A 34 8.129 27.234 -0.672 1.00 0.00 C ATOM 459 CE LYS A 34 8.690 27.042 -2.073 1.00 0.00 C ATOM 460 NZ LYS A 34 8.916 28.342 -2.763 1.00 0.00 N ATOM 0 H LYS A 34 7.825 23.068 1.673 1.00 0.00 H new ATOM 0 HA LYS A 34 5.814 24.865 2.581 1.00 0.00 H new ATOM 0 HB2 LYS A 34 6.153 26.644 0.934 1.00 0.00 H new ATOM 0 HB3 LYS A 34 7.515 26.559 2.033 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.920 25.545 0.389 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.564 25.164 -0.655 1.00 0.00 H new ATOM 0 HD2 LYS A 34 7.170 27.748 -0.731 1.00 0.00 H new ATOM 0 HD3 LYS A 34 8.798 27.872 -0.095 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.630 26.493 -2.016 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.001 26.434 -2.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.299 28.168 -3.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 8.015 28.855 -2.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 9.593 28.912 -2.217 1.00 0.00 H new ATOM 474 N VAL A 35 4.472 24.302 0.473 1.00 0.00 N ATOM 475 CA VAL A 35 3.641 23.677 -0.550 1.00 0.00 C ATOM 476 C VAL A 35 4.337 23.690 -1.906 1.00 0.00 C ATOM 477 O VAL A 35 4.488 24.741 -2.528 1.00 0.00 O ATOM 478 CB VAL A 35 2.279 24.385 -0.676 1.00 0.00 C ATOM 479 CG1 VAL A 35 1.376 23.637 -1.645 1.00 0.00 C ATOM 480 CG2 VAL A 35 1.619 24.517 0.688 1.00 0.00 C ATOM 0 H VAL A 35 3.996 25.015 1.025 1.00 0.00 H new ATOM 0 HA VAL A 35 3.478 22.645 -0.239 1.00 0.00 H new ATOM 0 HB VAL A 35 2.445 25.387 -1.072 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.418 24.152 -1.721 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.847 23.600 -2.627 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.214 22.622 -1.282 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.658 25.020 0.580 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.464 23.526 1.115 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.261 25.100 1.348 1.00 0.00 H new ATOM 490 N ALA A 36 4.758 22.514 -2.360 1.00 0.00 N ATOM 491 CA ALA A 36 5.435 22.389 -3.645 1.00 0.00 C ATOM 492 C ALA A 36 5.117 21.052 -4.305 1.00 0.00 C ATOM 493 O ALA A 36 4.862 20.048 -3.639 1.00 0.00 O ATOM 494 CB ALA A 36 6.938 22.548 -3.467 1.00 0.00 C ATOM 0 H ALA A 36 4.642 21.634 -1.857 1.00 0.00 H new ATOM 0 HA ALA A 36 5.072 23.182 -4.298 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.431 22.452 -4.434 1.00 0.00 H new ATOM 0 HB2 ALA A 36 7.153 23.530 -3.046 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.308 21.775 -2.793 1.00 0.00 H new ATOM 500 N PRO A 37 5.130 21.035 -5.646 1.00 0.00 N ATOM 501 CA PRO A 37 4.845 19.827 -6.426 1.00 0.00 C ATOM 502 C PRO A 37 5.951 18.784 -6.305 1.00 0.00 C ATOM 503 O PRO A 37 7.136 19.118 -6.309 1.00 0.00 O ATOM 504 CB PRO A 37 4.755 20.346 -7.863 1.00 0.00 C ATOM 505 CG PRO A 37 5.580 21.586 -7.871 1.00 0.00 C ATOM 506 CD PRO A 37 5.425 22.195 -6.505 1.00 0.00 C ATOM 0 HA PRO A 37 3.941 19.324 -6.082 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.136 19.612 -8.573 1.00 0.00 H new ATOM 0 HB3 PRO A 37 3.723 20.555 -8.144 1.00 0.00 H new ATOM 0 HG2 PRO A 37 6.625 21.358 -8.080 1.00 0.00 H new ATOM 0 HG3 PRO A 37 5.242 22.274 -8.646 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.333 22.709 -6.189 1.00 0.00 H new ATOM 0 HD3 PRO A 37 4.619 22.928 -6.481 1.00 0.00 H new ATOM 514 N VAL A 38 5.556 17.520 -6.197 1.00 0.00 N ATOM 515 CA VAL A 38 6.514 16.427 -6.076 1.00 0.00 C ATOM 516 C VAL A 38 6.107 15.241 -6.942 1.00 0.00 C ATOM 517 O VAL A 38 5.014 15.219 -7.507 1.00 0.00 O ATOM 518 CB VAL A 38 6.650 15.959 -4.615 1.00 0.00 C ATOM 519 CG1 VAL A 38 7.136 17.099 -3.732 1.00 0.00 C ATOM 520 CG2 VAL A 38 5.327 15.408 -4.107 1.00 0.00 C ATOM 0 H VAL A 38 4.579 17.227 -6.191 1.00 0.00 H new ATOM 0 HA VAL A 38 7.475 16.810 -6.418 1.00 0.00 H new ATOM 0 HB VAL A 38 7.390 15.159 -4.575 1.00 0.00 H new ATOM 0 HG11 VAL A 38 7.226 16.750 -2.703 1.00 0.00 H new ATOM 0 HG12 VAL A 38 8.108 17.443 -4.085 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.422 17.922 -3.774 1.00 0.00 H new ATOM 0 HG21 VAL A 38 5.442 15.082 -3.073 1.00 0.00 H new ATOM 0 HG22 VAL A 38 4.565 16.185 -4.160 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.025 14.561 -4.723 1.00 0.00 H new ATOM 530 N GLU A 39 6.994 14.256 -7.041 1.00 0.00 N ATOM 531 CA GLU A 39 6.726 13.065 -7.840 1.00 0.00 C ATOM 532 C GLU A 39 7.346 11.828 -7.197 1.00 0.00 C ATOM 533 O GLU A 39 8.566 11.733 -7.058 1.00 0.00 O ATOM 534 CB GLU A 39 7.270 13.243 -9.259 1.00 0.00 C ATOM 535 CG GLU A 39 7.161 11.991 -10.113 1.00 0.00 C ATOM 536 CD GLU A 39 7.874 12.130 -11.445 1.00 0.00 C ATOM 537 OE1 GLU A 39 9.112 11.972 -11.475 1.00 0.00 O ATOM 538 OE2 GLU A 39 7.192 12.396 -12.457 1.00 0.00 O ATOM 0 H GLU A 39 7.903 14.259 -6.579 1.00 0.00 H new ATOM 0 HA GLU A 39 5.646 12.926 -7.888 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.730 14.054 -9.747 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.316 13.545 -9.203 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.580 11.146 -9.567 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.109 11.767 -10.290 1.00 0.00 H new ATOM 545 N TRP A 40 6.498 10.884 -6.806 1.00 0.00 N ATOM 546 CA TRP A 40 6.962 9.652 -6.177 1.00 0.00 C ATOM 547 C TRP A 40 7.595 8.721 -7.205 1.00 0.00 C ATOM 548 O TRP A 40 7.184 8.689 -8.365 1.00 0.00 O ATOM 549 CB TRP A 40 5.802 8.945 -5.476 1.00 0.00 C ATOM 550 CG TRP A 40 5.169 9.770 -4.396 1.00 0.00 C ATOM 551 CD1 TRP A 40 4.410 10.893 -4.562 1.00 0.00 C ATOM 552 CD2 TRP A 40 5.241 9.536 -2.985 1.00 0.00 C ATOM 553 NE1 TRP A 40 4.006 11.373 -3.339 1.00 0.00 N ATOM 554 CE2 TRP A 40 4.502 10.558 -2.356 1.00 0.00 C ATOM 555 CE3 TRP A 40 5.856 8.564 -2.193 1.00 0.00 C ATOM 556 CZ2 TRP A 40 4.365 10.632 -0.972 1.00 0.00 C ATOM 557 CZ3 TRP A 40 5.719 8.639 -0.820 1.00 0.00 C ATOM 558 CH2 TRP A 40 4.978 9.666 -0.221 1.00 0.00 C ATOM 0 H TRP A 40 5.486 10.948 -6.913 1.00 0.00 H new ATOM 0 HA TRP A 40 7.719 9.914 -5.437 1.00 0.00 H new ATOM 0 HB2 TRP A 40 5.045 8.684 -6.215 1.00 0.00 H new ATOM 0 HB3 TRP A 40 6.162 8.011 -5.046 1.00 0.00 H new ATOM 0 HD1 TRP A 40 4.163 11.339 -5.514 1.00 0.00 H new ATOM 0 HE1 TRP A 40 3.430 12.201 -3.188 1.00 0.00 H new ATOM 0 HE3 TRP A 40 6.428 7.768 -2.646 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 3.795 11.424 -0.508 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 6.191 7.893 -0.198 1.00 0.00 H new ATOM 0 HH2 TRP A 40 4.889 9.696 0.855 1.00 0.00 H new ATOM 569 N LYS A 41 8.597 7.963 -6.773 1.00 0.00 N ATOM 570 CA LYS A 41 9.286 7.029 -7.655 1.00 0.00 C ATOM 571 C LYS A 41 9.679 5.760 -6.904 1.00 0.00 C ATOM 572 O LYS A 41 9.896 5.785 -5.692 1.00 0.00 O ATOM 573 CB LYS A 41 10.531 7.685 -8.254 1.00 0.00 C ATOM 574 CG LYS A 41 10.249 8.493 -9.509 1.00 0.00 C ATOM 575 CD LYS A 41 11.445 8.504 -10.446 1.00 0.00 C ATOM 576 CE LYS A 41 11.280 9.540 -11.548 1.00 0.00 C ATOM 577 NZ LYS A 41 11.733 10.890 -11.112 1.00 0.00 N ATOM 0 H LYS A 41 8.950 7.977 -5.816 1.00 0.00 H new ATOM 0 HA LYS A 41 8.603 6.757 -8.460 1.00 0.00 H new ATOM 0 HB2 LYS A 41 10.983 8.337 -7.506 1.00 0.00 H new ATOM 0 HB3 LYS A 41 11.263 6.911 -8.487 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.385 8.075 -10.025 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.992 9.516 -9.234 1.00 0.00 H new ATOM 0 HD2 LYS A 41 12.351 8.716 -9.879 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.570 7.516 -10.889 1.00 0.00 H new ATOM 0 HE2 LYS A 41 11.849 9.231 -12.425 1.00 0.00 H new ATOM 0 HE3 LYS A 41 10.233 9.587 -11.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 11.051 11.606 -11.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 11.798 10.916 -10.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 12.667 11.092 -11.523 1.00 0.00 H new ATOM 591 N LYS A 42 9.770 4.652 -7.631 1.00 0.00 N ATOM 592 CA LYS A 42 10.139 3.373 -7.035 1.00 0.00 C ATOM 593 C LYS A 42 11.398 2.812 -7.690 1.00 0.00 C ATOM 594 O LYS A 42 11.658 1.611 -7.628 1.00 0.00 O ATOM 595 CB LYS A 42 8.990 2.372 -7.173 1.00 0.00 C ATOM 596 CG LYS A 42 9.225 1.071 -6.425 1.00 0.00 C ATOM 597 CD LYS A 42 7.927 0.311 -6.207 1.00 0.00 C ATOM 598 CE LYS A 42 8.186 -1.139 -5.831 1.00 0.00 C ATOM 599 NZ LYS A 42 9.018 -1.837 -6.850 1.00 0.00 N ATOM 0 H LYS A 42 9.593 4.614 -8.635 1.00 0.00 H new ATOM 0 HA LYS A 42 10.343 3.538 -5.977 1.00 0.00 H new ATOM 0 HB2 LYS A 42 8.072 2.832 -6.806 1.00 0.00 H new ATOM 0 HB3 LYS A 42 8.836 2.152 -8.229 1.00 0.00 H new ATOM 0 HG2 LYS A 42 9.922 0.449 -6.986 1.00 0.00 H new ATOM 0 HG3 LYS A 42 9.690 1.283 -5.462 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.349 0.794 -5.419 1.00 0.00 H new ATOM 0 HD3 LYS A 42 7.324 0.350 -7.114 1.00 0.00 H new ATOM 0 HE2 LYS A 42 8.687 -1.179 -4.864 1.00 0.00 H new ATOM 0 HE3 LYS A 42 7.235 -1.660 -5.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 8.832 -2.859 -6.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 8.779 -1.480 -7.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 10.024 -1.660 -6.657 1.00 0.00 H new ATOM 613 N GLY A 43 12.176 3.689 -8.315 1.00 0.00 N ATOM 614 CA GLY A 43 13.399 3.262 -8.970 1.00 0.00 C ATOM 615 C GLY A 43 13.663 4.019 -10.257 1.00 0.00 C ATOM 616 O GLY A 43 13.377 5.211 -10.370 1.00 0.00 O ATOM 0 H GLY A 43 11.982 4.688 -8.380 1.00 0.00 H new ATOM 0 HA2 GLY A 43 14.240 3.403 -8.290 1.00 0.00 H new ATOM 0 HA3 GLY A 43 13.339 2.195 -9.186 1.00 0.00 H new ATOM 620 N PRO A 44 14.223 3.320 -11.255 1.00 0.00 N ATOM 621 CA PRO A 44 14.539 3.915 -12.557 1.00 0.00 C ATOM 622 C PRO A 44 13.287 4.248 -13.362 1.00 0.00 C ATOM 623 O PRO A 44 13.375 4.699 -14.503 1.00 0.00 O ATOM 624 CB PRO A 44 15.350 2.822 -13.258 1.00 0.00 C ATOM 625 CG PRO A 44 14.906 1.552 -12.619 1.00 0.00 C ATOM 626 CD PRO A 44 14.590 1.896 -11.190 1.00 0.00 C ATOM 0 HA PRO A 44 15.071 4.861 -12.455 1.00 0.00 H new ATOM 0 HB2 PRO A 44 15.158 2.813 -14.331 1.00 0.00 H new ATOM 0 HB3 PRO A 44 16.421 2.978 -13.127 1.00 0.00 H new ATOM 0 HG2 PRO A 44 14.030 1.146 -13.125 1.00 0.00 H new ATOM 0 HG3 PRO A 44 15.687 0.793 -12.674 1.00 0.00 H new ATOM 0 HD2 PRO A 44 13.773 1.288 -10.802 1.00 0.00 H new ATOM 0 HD3 PRO A 44 15.448 1.731 -10.538 1.00 0.00 H new ATOM 634 N GLU A 45 12.124 4.023 -12.758 1.00 0.00 N ATOM 635 CA GLU A 45 10.855 4.300 -13.420 1.00 0.00 C ATOM 636 C GLU A 45 10.067 5.365 -12.663 1.00 0.00 C ATOM 637 O GLU A 45 10.396 5.707 -11.527 1.00 0.00 O ATOM 638 CB GLU A 45 10.024 3.020 -13.535 1.00 0.00 C ATOM 639 CG GLU A 45 10.273 2.245 -14.818 1.00 0.00 C ATOM 640 CD GLU A 45 10.049 0.755 -14.652 1.00 0.00 C ATOM 641 OE1 GLU A 45 11.010 0.049 -14.281 1.00 0.00 O ATOM 642 OE2 GLU A 45 8.914 0.294 -14.893 1.00 0.00 O ATOM 0 H GLU A 45 12.035 3.650 -11.813 1.00 0.00 H new ATOM 0 HA GLU A 45 11.071 4.675 -14.420 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.244 2.376 -12.683 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.966 3.277 -13.475 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.614 2.623 -15.600 1.00 0.00 H new ATOM 0 HG3 GLU A 45 11.296 2.420 -15.151 1.00 0.00 H new ATOM 649 N THR A 46 9.024 5.887 -13.301 1.00 0.00 N ATOM 650 CA THR A 46 8.189 6.913 -12.690 1.00 0.00 C ATOM 651 C THR A 46 6.774 6.400 -12.449 1.00 0.00 C ATOM 652 O THR A 46 6.264 5.575 -13.207 1.00 0.00 O ATOM 653 CB THR A 46 8.122 8.178 -13.566 1.00 0.00 C ATOM 654 OG1 THR A 46 9.443 8.586 -13.939 1.00 0.00 O ATOM 655 CG2 THR A 46 7.426 9.311 -12.829 1.00 0.00 C ATOM 0 H THR A 46 8.738 5.615 -14.242 1.00 0.00 H new ATOM 0 HA THR A 46 8.648 7.166 -11.734 1.00 0.00 H new ATOM 0 HB THR A 46 7.548 7.942 -14.462 1.00 0.00 H new ATOM 0 HG1 THR A 46 9.392 9.390 -14.497 1.00 0.00 H new ATOM 0 HG21 THR A 46 7.391 10.193 -13.468 1.00 0.00 H new ATOM 0 HG22 THR A 46 6.411 9.008 -12.572 1.00 0.00 H new ATOM 0 HG23 THR A 46 7.977 9.545 -11.918 1.00 0.00 H new ATOM 663 N LEU A 47 6.143 6.894 -11.389 1.00 0.00 N ATOM 664 CA LEU A 47 4.785 6.486 -11.048 1.00 0.00 C ATOM 665 C LEU A 47 3.814 7.654 -11.189 1.00 0.00 C ATOM 666 O LEU A 47 4.203 8.754 -11.582 1.00 0.00 O ATOM 667 CB LEU A 47 4.739 5.939 -9.620 1.00 0.00 C ATOM 668 CG LEU A 47 5.749 4.840 -9.290 1.00 0.00 C ATOM 669 CD1 LEU A 47 6.055 4.827 -7.800 1.00 0.00 C ATOM 670 CD2 LEU A 47 5.229 3.483 -9.741 1.00 0.00 C ATOM 0 H LEU A 47 6.550 7.578 -10.751 1.00 0.00 H new ATOM 0 HA LEU A 47 4.483 5.701 -11.741 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.895 6.768 -8.930 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.737 5.552 -9.432 1.00 0.00 H new ATOM 0 HG LEU A 47 6.673 5.049 -9.829 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.776 4.038 -7.583 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.472 5.790 -7.506 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.137 4.643 -7.242 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.962 2.713 -9.498 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.291 3.265 -9.231 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.062 3.497 -10.818 1.00 0.00 H new ATOM 682 N ARG A 48 2.549 7.408 -10.863 1.00 0.00 N ATOM 683 CA ARG A 48 1.523 8.439 -10.952 1.00 0.00 C ATOM 684 C ARG A 48 0.255 8.009 -10.221 1.00 0.00 C ATOM 685 O ARG A 48 0.020 6.818 -10.013 1.00 0.00 O ATOM 686 CB ARG A 48 1.201 8.743 -12.417 1.00 0.00 C ATOM 687 CG ARG A 48 2.149 9.748 -13.052 1.00 0.00 C ATOM 688 CD ARG A 48 1.507 10.444 -14.242 1.00 0.00 C ATOM 689 NE ARG A 48 2.500 11.064 -15.115 1.00 0.00 N ATOM 690 CZ ARG A 48 2.191 11.740 -16.216 1.00 0.00 C ATOM 691 NH1 ARG A 48 0.923 11.881 -16.577 1.00 0.00 N ATOM 692 NH2 ARG A 48 3.151 12.276 -16.958 1.00 0.00 N ATOM 0 H ARG A 48 2.211 6.503 -10.535 1.00 0.00 H new ATOM 0 HA ARG A 48 1.908 9.341 -10.476 1.00 0.00 H new ATOM 0 HB2 ARG A 48 1.233 7.815 -12.988 1.00 0.00 H new ATOM 0 HB3 ARG A 48 0.182 9.124 -12.485 1.00 0.00 H new ATOM 0 HG2 ARG A 48 2.444 10.490 -12.310 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.058 9.240 -13.373 1.00 0.00 H new ATOM 0 HD2 ARG A 48 0.923 9.722 -14.813 1.00 0.00 H new ATOM 0 HD3 ARG A 48 0.812 11.205 -13.886 1.00 0.00 H new ATOM 0 HE ARG A 48 3.485 10.973 -14.866 1.00 0.00 H new ATOM 0 HH11 ARG A 48 0.182 11.470 -16.009 1.00 0.00 H new ATOM 0 HH12 ARG A 48 0.688 12.401 -17.423 1.00 0.00 H new ATOM 0 HH21 ARG A 48 4.128 12.169 -16.683 1.00 0.00 H new ATOM 0 HH22 ARG A 48 2.913 12.795 -17.803 1.00 0.00 H new ATOM 706 N ASP A 49 -0.558 8.985 -9.833 1.00 0.00 N ATOM 707 CA ASP A 49 -1.803 8.708 -9.125 1.00 0.00 C ATOM 708 C ASP A 49 -2.748 7.880 -9.991 1.00 0.00 C ATOM 709 O ASP A 49 -2.614 7.843 -11.213 1.00 0.00 O ATOM 710 CB ASP A 49 -2.482 10.015 -8.713 1.00 0.00 C ATOM 711 CG ASP A 49 -3.353 10.587 -9.814 1.00 0.00 C ATOM 712 OD1 ASP A 49 -2.803 11.242 -10.725 1.00 0.00 O ATOM 713 OD2 ASP A 49 -4.584 10.381 -9.766 1.00 0.00 O ATOM 0 H ASP A 49 -0.378 9.975 -9.997 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.563 8.134 -8.230 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.091 9.841 -7.826 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.721 10.746 -8.439 1.00 0.00 H new ATOM 756 N TYR A 53 -2.551 3.223 -6.842 1.00 0.00 N ATOM 757 CA TYR A 53 -1.708 4.274 -6.284 1.00 0.00 C ATOM 758 C TYR A 53 -2.497 5.567 -6.103 1.00 0.00 C ATOM 759 O TYR A 53 -2.943 6.176 -7.075 1.00 0.00 O ATOM 760 CB TYR A 53 -0.500 4.522 -7.189 1.00 0.00 C ATOM 761 CG TYR A 53 0.434 3.338 -7.291 1.00 0.00 C ATOM 762 CD1 TYR A 53 1.306 3.025 -6.255 1.00 0.00 C ATOM 763 CD2 TYR A 53 0.446 2.532 -8.422 1.00 0.00 C ATOM 764 CE1 TYR A 53 2.163 1.945 -6.343 1.00 0.00 C ATOM 765 CE2 TYR A 53 1.298 1.448 -8.519 1.00 0.00 C ATOM 766 CZ TYR A 53 2.154 1.159 -7.477 1.00 0.00 C ATOM 767 OH TYR A 53 3.005 0.082 -7.570 1.00 0.00 O ATOM 0 HA TYR A 53 -1.359 3.944 -5.306 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.852 4.783 -8.187 1.00 0.00 H new ATOM 0 HB3 TYR A 53 0.055 5.381 -6.812 1.00 0.00 H new ATOM 0 HD1 TYR A 53 1.314 3.637 -5.365 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.222 2.756 -9.240 1.00 0.00 H new ATOM 0 HE1 TYR A 53 2.836 1.717 -5.529 1.00 0.00 H new ATOM 0 HE2 TYR A 53 1.293 0.831 -9.405 1.00 0.00 H new ATOM 0 HH TYR A 53 3.048 -0.377 -6.705 1.00 0.00 H new ATOM 777 N SER A 54 -2.664 5.980 -4.851 1.00 0.00 N ATOM 778 CA SER A 54 -3.402 7.199 -4.541 1.00 0.00 C ATOM 779 C SER A 54 -2.532 8.175 -3.754 1.00 0.00 C ATOM 780 O SER A 54 -2.092 7.875 -2.643 1.00 0.00 O ATOM 781 CB SER A 54 -4.665 6.867 -3.744 1.00 0.00 C ATOM 782 OG SER A 54 -5.694 7.807 -4.004 1.00 0.00 O ATOM 0 H SER A 54 -2.299 5.489 -4.035 1.00 0.00 H new ATOM 0 HA SER A 54 -3.688 7.671 -5.481 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.009 5.866 -4.002 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.435 6.860 -2.679 1.00 0.00 H new ATOM 0 HG SER A 54 -6.491 7.572 -3.484 1.00 0.00 H new ATOM 788 N LEU A 55 -2.289 9.343 -4.337 1.00 0.00 N ATOM 789 CA LEU A 55 -1.472 10.365 -3.691 1.00 0.00 C ATOM 790 C LEU A 55 -2.285 11.630 -3.434 1.00 0.00 C ATOM 791 O LEU A 55 -2.870 12.203 -4.354 1.00 0.00 O ATOM 792 CB LEU A 55 -0.255 10.695 -4.557 1.00 0.00 C ATOM 793 CG LEU A 55 0.431 9.506 -5.231 1.00 0.00 C ATOM 794 CD1 LEU A 55 -0.180 9.242 -6.598 1.00 0.00 C ATOM 795 CD2 LEU A 55 1.928 9.753 -5.353 1.00 0.00 C ATOM 0 H LEU A 55 -2.646 9.607 -5.256 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.133 9.972 -2.733 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.565 11.397 -5.331 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.479 11.208 -3.936 1.00 0.00 H new ATOM 0 HG LEU A 55 0.278 8.623 -4.610 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.321 8.393 -7.062 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.241 9.020 -6.486 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.058 10.124 -7.227 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.400 8.897 -5.835 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.102 10.647 -5.951 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.356 9.892 -4.360 1.00 0.00 H new ATOM 807 N LYS A 56 -2.316 12.062 -2.178 1.00 0.00 N ATOM 808 CA LYS A 56 -3.053 13.261 -1.799 1.00 0.00 C ATOM 809 C LYS A 56 -2.110 14.332 -1.258 1.00 0.00 C ATOM 810 O LYS A 56 -1.344 14.083 -0.328 1.00 0.00 O ATOM 811 CB LYS A 56 -4.113 12.922 -0.748 1.00 0.00 C ATOM 812 CG LYS A 56 -4.749 14.145 -0.109 1.00 0.00 C ATOM 813 CD LYS A 56 -5.797 14.767 -1.017 1.00 0.00 C ATOM 814 CE LYS A 56 -6.643 15.789 -0.273 1.00 0.00 C ATOM 815 NZ LYS A 56 -7.474 16.603 -1.202 1.00 0.00 N ATOM 0 H LYS A 56 -1.839 11.599 -1.405 1.00 0.00 H new ATOM 0 HA LYS A 56 -3.545 13.651 -2.690 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -4.893 12.318 -1.212 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -3.658 12.311 0.031 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -5.208 13.864 0.839 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -3.978 14.882 0.116 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -5.307 15.246 -1.865 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -6.440 13.985 -1.421 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -7.290 15.276 0.438 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -5.993 16.447 0.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -8.036 17.287 -0.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -6.856 17.113 -1.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -8.112 15.978 -1.735 1.00 0.00 H new ATOM 829 N GLN A 57 -2.174 15.522 -1.846 1.00 0.00 N ATOM 830 CA GLN A 57 -1.326 16.629 -1.421 1.00 0.00 C ATOM 831 C GLN A 57 -2.066 17.539 -0.446 1.00 0.00 C ATOM 832 O GLN A 57 -2.969 18.280 -0.835 1.00 0.00 O ATOM 833 CB GLN A 57 -0.859 17.436 -2.634 1.00 0.00 C ATOM 834 CG GLN A 57 -0.113 18.709 -2.268 1.00 0.00 C ATOM 835 CD GLN A 57 0.884 19.128 -3.330 1.00 0.00 C ATOM 836 OE1 GLN A 57 0.520 19.357 -4.484 1.00 0.00 O ATOM 837 NE2 GLN A 57 2.151 19.229 -2.946 1.00 0.00 N ATOM 0 H GLN A 57 -2.804 15.744 -2.617 1.00 0.00 H new ATOM 0 HA GLN A 57 -0.456 16.213 -0.913 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -0.212 16.810 -3.249 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -1.725 17.695 -3.243 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -0.831 19.514 -2.112 1.00 0.00 H new ATOM 0 HG3 GLN A 57 0.410 18.560 -1.323 1.00 0.00 H new ATOM 0 HE21 GLN A 57 2.408 19.030 -1.979 1.00 0.00 H new ATOM 0 HE22 GLN A 57 2.867 19.506 -3.618 1.00 0.00 H new ATOM 846 N ASP A 58 -1.678 17.477 0.823 1.00 0.00 N ATOM 847 CA ASP A 58 -2.304 18.295 1.855 1.00 0.00 C ATOM 848 C ASP A 58 -1.398 19.456 2.253 1.00 0.00 C ATOM 849 O ASP A 58 -0.698 19.393 3.263 1.00 0.00 O ATOM 850 CB ASP A 58 -2.631 17.444 3.083 1.00 0.00 C ATOM 851 CG ASP A 58 -3.778 18.014 3.894 1.00 0.00 C ATOM 852 OD1 ASP A 58 -3.775 19.237 4.146 1.00 0.00 O ATOM 853 OD2 ASP A 58 -4.678 17.237 4.278 1.00 0.00 O ATOM 0 H ASP A 58 -0.933 16.869 1.162 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.229 18.702 1.448 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.883 16.433 2.764 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.746 17.368 3.715 1.00 0.00 H new ATOM 858 N GLY A 59 -1.415 20.516 1.450 1.00 0.00 N ATOM 859 CA GLY A 59 -0.590 21.675 1.734 1.00 0.00 C ATOM 860 C GLY A 59 0.892 21.365 1.656 1.00 0.00 C ATOM 861 O GLY A 59 1.479 21.365 0.574 1.00 0.00 O ATOM 0 H GLY A 59 -1.986 20.592 0.608 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.830 22.470 1.027 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.827 22.051 2.729 1.00 0.00 H new ATOM 865 N THR A 60 1.501 21.100 2.808 1.00 0.00 N ATOM 866 CA THR A 60 2.924 20.790 2.868 1.00 0.00 C ATOM 867 C THR A 60 3.153 19.334 3.257 1.00 0.00 C ATOM 868 O THR A 60 4.187 18.991 3.830 1.00 0.00 O ATOM 869 CB THR A 60 3.656 21.700 3.872 1.00 0.00 C ATOM 870 OG1 THR A 60 3.107 21.525 5.183 1.00 0.00 O ATOM 871 CG2 THR A 60 3.543 23.161 3.461 1.00 0.00 C ATOM 0 H THR A 60 1.030 21.094 3.713 1.00 0.00 H new ATOM 0 HA THR A 60 3.328 20.965 1.871 1.00 0.00 H new ATOM 0 HB THR A 60 4.710 21.421 3.879 1.00 0.00 H new ATOM 0 HG1 THR A 60 3.579 22.106 5.816 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.068 23.784 4.185 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.988 23.297 2.475 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.492 23.449 3.428 1.00 0.00 H new ATOM 879 N ARG A 61 2.183 18.482 2.942 1.00 0.00 N ATOM 880 CA ARG A 61 2.280 17.063 3.260 1.00 0.00 C ATOM 881 C ARG A 61 1.712 16.212 2.128 1.00 0.00 C ATOM 882 O ARG A 61 0.827 16.650 1.393 1.00 0.00 O ATOM 883 CB ARG A 61 1.538 16.758 4.563 1.00 0.00 C ATOM 884 CG ARG A 61 2.398 16.916 5.806 1.00 0.00 C ATOM 885 CD ARG A 61 1.550 16.990 7.065 1.00 0.00 C ATOM 886 NE ARG A 61 0.639 18.132 7.045 1.00 0.00 N ATOM 887 CZ ARG A 61 -0.592 18.082 6.550 1.00 0.00 C ATOM 888 NH1 ARG A 61 -1.058 16.952 6.037 1.00 0.00 N ATOM 889 NH2 ARG A 61 -1.361 19.164 6.568 1.00 0.00 N ATOM 0 H ARG A 61 1.321 18.750 2.467 1.00 0.00 H new ATOM 0 HA ARG A 61 3.334 16.816 3.384 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.675 17.419 4.643 1.00 0.00 H new ATOM 0 HB3 ARG A 61 1.156 15.738 4.523 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.089 16.076 5.881 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.002 17.819 5.719 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.975 16.070 7.170 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.201 17.060 7.937 1.00 0.00 H new ATOM 0 HE ARG A 61 0.967 19.017 7.433 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -0.471 16.118 6.022 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -2.004 16.916 5.657 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.006 20.035 6.962 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.306 19.124 6.187 1.00 0.00 H new ATOM 903 N CYS A 62 2.229 14.996 1.993 1.00 0.00 N ATOM 904 CA CYS A 62 1.774 14.083 0.949 1.00 0.00 C ATOM 905 C CYS A 62 1.493 12.698 1.522 1.00 0.00 C ATOM 906 O CYS A 62 2.258 12.188 2.341 1.00 0.00 O ATOM 907 CB CYS A 62 2.820 13.986 -0.162 1.00 0.00 C ATOM 908 SG CYS A 62 3.065 15.523 -1.082 1.00 0.00 S ATOM 0 H CYS A 62 2.963 14.619 2.593 1.00 0.00 H new ATOM 0 HA CYS A 62 0.847 14.478 0.533 1.00 0.00 H new ATOM 0 HB2 CYS A 62 3.771 13.681 0.275 1.00 0.00 H new ATOM 0 HB3 CYS A 62 2.523 13.202 -0.858 1.00 0.00 H new ATOM 0 HG CYS A 62 2.361 16.471 -0.539 1.00 0.00 H new ATOM 914 N GLU A 63 0.391 12.096 1.088 1.00 0.00 N ATOM 915 CA GLU A 63 0.008 10.771 1.560 1.00 0.00 C ATOM 916 C GLU A 63 -0.189 9.812 0.390 1.00 0.00 C ATOM 917 O GLU A 63 -1.161 9.919 -0.359 1.00 0.00 O ATOM 918 CB GLU A 63 -1.276 10.851 2.389 1.00 0.00 C ATOM 919 CG GLU A 63 -1.831 9.494 2.785 1.00 0.00 C ATOM 920 CD GLU A 63 -3.109 9.599 3.594 1.00 0.00 C ATOM 921 OE1 GLU A 63 -4.119 10.088 3.047 1.00 0.00 O ATOM 922 OE2 GLU A 63 -3.099 9.192 4.775 1.00 0.00 O ATOM 0 H GLU A 63 -0.252 12.505 0.410 1.00 0.00 H new ATOM 0 HA GLU A 63 0.814 10.391 2.187 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.080 11.431 3.291 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.033 11.391 1.820 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.022 8.908 1.886 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.082 8.955 3.365 1.00 0.00 H new ATOM 929 N LEU A 64 0.741 8.875 0.238 1.00 0.00 N ATOM 930 CA LEU A 64 0.672 7.896 -0.842 1.00 0.00 C ATOM 931 C LEU A 64 0.091 6.577 -0.344 1.00 0.00 C ATOM 932 O LEU A 64 0.511 6.054 0.689 1.00 0.00 O ATOM 933 CB LEU A 64 2.062 7.663 -1.435 1.00 0.00 C ATOM 934 CG LEU A 64 2.216 6.425 -2.319 1.00 0.00 C ATOM 935 CD1 LEU A 64 1.281 6.504 -3.516 1.00 0.00 C ATOM 936 CD2 LEU A 64 3.659 6.272 -2.776 1.00 0.00 C ATOM 0 H LEU A 64 1.551 8.772 0.849 1.00 0.00 H new ATOM 0 HA LEU A 64 0.015 8.292 -1.617 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.336 8.540 -2.021 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.777 7.591 -0.616 1.00 0.00 H new ATOM 0 HG LEU A 64 1.947 5.547 -1.732 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.405 5.614 -4.134 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.250 6.564 -3.169 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.518 7.390 -4.105 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.750 5.386 -3.404 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.955 7.153 -3.346 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.307 6.168 -1.906 1.00 0.00 H new ATOM 948 N GLN A 65 -0.873 6.043 -1.086 1.00 0.00 N ATOM 949 CA GLN A 65 -1.510 4.783 -0.720 1.00 0.00 C ATOM 950 C GLN A 65 -1.339 3.746 -1.824 1.00 0.00 C ATOM 951 O GLN A 65 -1.768 3.957 -2.959 1.00 0.00 O ATOM 952 CB GLN A 65 -2.997 5.002 -0.435 1.00 0.00 C ATOM 953 CG GLN A 65 -3.274 5.567 0.949 1.00 0.00 C ATOM 954 CD GLN A 65 -4.690 5.295 1.417 1.00 0.00 C ATOM 955 OE1 GLN A 65 -5.397 4.465 0.845 1.00 0.00 O ATOM 956 NE2 GLN A 65 -5.112 5.995 2.464 1.00 0.00 N ATOM 0 H GLN A 65 -1.230 6.463 -1.944 1.00 0.00 H new ATOM 0 HA GLN A 65 -1.026 4.409 0.182 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.406 5.680 -1.184 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.523 4.053 -0.543 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -2.571 5.135 1.661 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -3.099 6.643 0.940 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -4.492 6.673 2.908 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.056 5.855 2.824 1.00 0.00 H new ATOM 965 N ILE A 66 -0.710 2.626 -1.486 1.00 0.00 N ATOM 966 CA ILE A 66 -0.484 1.556 -2.449 1.00 0.00 C ATOM 967 C ILE A 66 -1.545 0.467 -2.321 1.00 0.00 C ATOM 968 O ILE A 66 -1.377 -0.493 -1.569 1.00 0.00 O ATOM 969 CB ILE A 66 0.909 0.923 -2.271 1.00 0.00 C ATOM 970 CG1 ILE A 66 1.994 1.999 -2.335 1.00 0.00 C ATOM 971 CG2 ILE A 66 1.147 -0.142 -3.332 1.00 0.00 C ATOM 972 CD1 ILE A 66 3.227 1.663 -1.525 1.00 0.00 C ATOM 0 H ILE A 66 -0.348 2.436 -0.552 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.546 2.006 -3.440 1.00 0.00 H new ATOM 0 HB ILE A 66 0.953 0.447 -1.291 1.00 0.00 H new ATOM 0 HG12 ILE A 66 2.283 2.151 -3.375 1.00 0.00 H new ATOM 0 HG13 ILE A 66 1.580 2.942 -1.978 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.135 -0.580 -3.193 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.389 -0.921 -3.242 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.087 0.311 -4.322 1.00 0.00 H new ATOM 0 HD11 ILE A 66 3.954 2.470 -1.617 1.00 0.00 H new ATOM 0 HD12 ILE A 66 2.952 1.540 -0.478 1.00 0.00 H new ATOM 0 HD13 ILE A 66 3.665 0.736 -1.896 1.00 0.00 H new ATOM 984 N HIS A 67 -2.637 0.624 -3.063 1.00 0.00 N ATOM 985 CA HIS A 67 -3.725 -0.347 -3.034 1.00 0.00 C ATOM 986 C HIS A 67 -3.306 -1.653 -3.703 1.00 0.00 C ATOM 987 O HIS A 67 -2.662 -1.645 -4.752 1.00 0.00 O ATOM 988 CB HIS A 67 -4.962 0.222 -3.731 1.00 0.00 C ATOM 989 CG HIS A 67 -5.413 1.536 -3.173 1.00 0.00 C ATOM 990 ND1 HIS A 67 -6.382 1.648 -2.198 1.00 0.00 N ATOM 991 CD2 HIS A 67 -5.019 2.800 -3.456 1.00 0.00 C ATOM 992 CE1 HIS A 67 -6.567 2.923 -1.908 1.00 0.00 C ATOM 993 NE2 HIS A 67 -5.751 3.643 -2.657 1.00 0.00 N ATOM 0 H HIS A 67 -2.792 1.413 -3.691 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.967 -0.554 -1.992 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -4.747 0.342 -4.793 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -5.777 -0.497 -3.650 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -6.878 0.868 -1.768 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -4.269 3.091 -4.176 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -7.266 3.311 -1.182 1.00 0.00 H new ATOM 1002 N ASP A 68 -3.675 -2.771 -3.088 1.00 0.00 N ATOM 1003 CA ASP A 68 -3.337 -4.085 -3.624 1.00 0.00 C ATOM 1004 C ASP A 68 -1.850 -4.378 -3.448 1.00 0.00 C ATOM 1005 O ASP A 68 -1.179 -4.821 -4.381 1.00 0.00 O ATOM 1006 CB ASP A 68 -3.715 -4.169 -5.104 1.00 0.00 C ATOM 1007 CG ASP A 68 -3.800 -5.599 -5.599 1.00 0.00 C ATOM 1008 OD1 ASP A 68 -4.780 -6.289 -5.250 1.00 0.00 O ATOM 1009 OD2 ASP A 68 -2.887 -6.028 -6.335 1.00 0.00 O ATOM 0 H ASP A 68 -4.208 -2.794 -2.219 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.904 -4.833 -3.070 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.675 -3.676 -5.259 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.978 -3.626 -5.696 1.00 0.00 H new ATOM 1014 N LEU A 69 -1.341 -4.126 -2.247 1.00 0.00 N ATOM 1015 CA LEU A 69 0.068 -4.361 -1.949 1.00 0.00 C ATOM 1016 C LEU A 69 0.502 -5.743 -2.427 1.00 0.00 C ATOM 1017 O LEU A 69 -0.332 -6.601 -2.716 1.00 0.00 O ATOM 1018 CB LEU A 69 0.321 -4.226 -0.447 1.00 0.00 C ATOM 1019 CG LEU A 69 0.659 -2.821 0.053 1.00 0.00 C ATOM 1020 CD1 LEU A 69 0.688 -2.787 1.573 1.00 0.00 C ATOM 1021 CD2 LEU A 69 1.991 -2.358 -0.518 1.00 0.00 C ATOM 0 H LEU A 69 -1.882 -3.759 -1.464 1.00 0.00 H new ATOM 0 HA LEU A 69 0.656 -3.612 -2.479 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.565 -4.575 0.083 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.139 -4.893 -0.175 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.118 -2.138 -0.290 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.930 -1.779 1.910 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.289 -3.075 1.962 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.443 -3.483 1.938 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.215 -1.356 -0.152 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.779 -3.044 -0.206 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.934 -2.342 -1.606 1.00 0.00 H new ATOM 1033 N SER A 70 1.812 -5.951 -2.506 1.00 0.00 N ATOM 1034 CA SER A 70 2.358 -7.229 -2.950 1.00 0.00 C ATOM 1035 C SER A 70 3.825 -7.361 -2.552 1.00 0.00 C ATOM 1036 O SER A 70 4.566 -6.378 -2.532 1.00 0.00 O ATOM 1037 CB SER A 70 2.215 -7.369 -4.467 1.00 0.00 C ATOM 1038 OG SER A 70 0.939 -7.878 -4.814 1.00 0.00 O ATOM 0 H SER A 70 2.515 -5.252 -2.269 1.00 0.00 H new ATOM 0 HA SER A 70 1.795 -8.025 -2.464 1.00 0.00 H new ATOM 0 HB2 SER A 70 2.364 -6.399 -4.941 1.00 0.00 H new ATOM 0 HB3 SER A 70 2.991 -8.033 -4.849 1.00 0.00 H new ATOM 0 HG SER A 70 0.285 -7.615 -4.133 1.00 0.00 H new ATOM 1044 N VAL A 71 4.237 -8.584 -2.234 1.00 0.00 N ATOM 1045 CA VAL A 71 5.615 -8.847 -1.837 1.00 0.00 C ATOM 1046 C VAL A 71 6.599 -8.246 -2.835 1.00 0.00 C ATOM 1047 O VAL A 71 7.757 -7.994 -2.505 1.00 0.00 O ATOM 1048 CB VAL A 71 5.885 -10.358 -1.713 1.00 0.00 C ATOM 1049 CG1 VAL A 71 5.264 -10.909 -0.439 1.00 0.00 C ATOM 1050 CG2 VAL A 71 5.357 -11.095 -2.935 1.00 0.00 C ATOM 0 H VAL A 71 3.636 -9.408 -2.244 1.00 0.00 H new ATOM 0 HA VAL A 71 5.758 -8.379 -0.863 1.00 0.00 H new ATOM 0 HB VAL A 71 6.963 -10.514 -1.660 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.465 -11.978 -0.369 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.694 -10.401 0.424 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.187 -10.743 -0.458 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.556 -12.162 -2.831 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.283 -10.933 -3.021 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.854 -10.719 -3.829 1.00 0.00 H new ATOM 1060 N ALA A 72 6.129 -8.019 -4.057 1.00 0.00 N ATOM 1061 CA ALA A 72 6.966 -7.446 -5.103 1.00 0.00 C ATOM 1062 C ALA A 72 7.107 -5.937 -4.929 1.00 0.00 C ATOM 1063 O ALA A 72 8.187 -5.379 -5.122 1.00 0.00 O ATOM 1064 CB ALA A 72 6.392 -7.768 -6.475 1.00 0.00 C ATOM 0 H ALA A 72 5.173 -8.223 -4.347 1.00 0.00 H new ATOM 0 HA ALA A 72 7.958 -7.890 -5.023 1.00 0.00 H new ATOM 0 HB1 ALA A 72 7.028 -7.334 -7.246 1.00 0.00 H new ATOM 0 HB2 ALA A 72 6.349 -8.849 -6.607 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.388 -7.352 -6.556 1.00 0.00 H new ATOM 1070 N ASP A 73 6.010 -5.284 -4.563 1.00 0.00 N ATOM 1071 CA ASP A 73 6.012 -3.840 -4.361 1.00 0.00 C ATOM 1072 C ASP A 73 6.983 -3.446 -3.253 1.00 0.00 C ATOM 1073 O ASP A 73 7.555 -2.357 -3.273 1.00 0.00 O ATOM 1074 CB ASP A 73 4.604 -3.349 -4.020 1.00 0.00 C ATOM 1075 CG ASP A 73 3.807 -2.973 -5.253 1.00 0.00 C ATOM 1076 OD1 ASP A 73 3.306 -3.890 -5.938 1.00 0.00 O ATOM 1077 OD2 ASP A 73 3.684 -1.762 -5.535 1.00 0.00 O ATOM 0 H ASP A 73 5.108 -5.731 -4.400 1.00 0.00 H new ATOM 0 HA ASP A 73 6.338 -3.370 -5.289 1.00 0.00 H new ATOM 0 HB2 ASP A 73 4.074 -4.128 -3.472 1.00 0.00 H new ATOM 0 HB3 ASP A 73 4.674 -2.485 -3.359 1.00 0.00 H new ATOM 1082 N ALA A 74 7.164 -4.341 -2.287 1.00 0.00 N ATOM 1083 CA ALA A 74 8.067 -4.088 -1.171 1.00 0.00 C ATOM 1084 C ALA A 74 9.464 -3.729 -1.666 1.00 0.00 C ATOM 1085 O ALA A 74 10.234 -4.601 -2.068 1.00 0.00 O ATOM 1086 CB ALA A 74 8.125 -5.301 -0.254 1.00 0.00 C ATOM 0 H ALA A 74 6.697 -5.247 -2.255 1.00 0.00 H new ATOM 0 HA ALA A 74 7.680 -3.239 -0.608 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.803 -5.098 0.575 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.129 -5.511 0.135 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.485 -6.164 -0.814 1.00 0.00 H new ATOM 1092 N GLY A 75 9.785 -2.439 -1.633 1.00 0.00 N ATOM 1093 CA GLY A 75 11.090 -1.988 -2.082 1.00 0.00 C ATOM 1094 C GLY A 75 11.498 -0.673 -1.448 1.00 0.00 C ATOM 1095 O GLY A 75 11.581 -0.567 -0.225 1.00 0.00 O ATOM 0 H GLY A 75 9.165 -1.699 -1.304 1.00 0.00 H new ATOM 0 HA2 GLY A 75 11.835 -2.748 -1.846 1.00 0.00 H new ATOM 0 HA3 GLY A 75 11.080 -1.877 -3.166 1.00 0.00 H new ATOM 1099 N GLU A 76 11.756 0.329 -2.281 1.00 0.00 N ATOM 1100 CA GLU A 76 12.161 1.643 -1.794 1.00 0.00 C ATOM 1101 C GLU A 76 11.488 2.752 -2.596 1.00 0.00 C ATOM 1102 O GLU A 76 11.765 2.931 -3.783 1.00 0.00 O ATOM 1103 CB GLU A 76 13.682 1.793 -1.870 1.00 0.00 C ATOM 1104 CG GLU A 76 14.174 3.187 -1.519 1.00 0.00 C ATOM 1105 CD GLU A 76 15.598 3.189 -0.998 1.00 0.00 C ATOM 1106 OE1 GLU A 76 16.533 3.199 -1.825 1.00 0.00 O ATOM 1107 OE2 GLU A 76 15.776 3.181 0.238 1.00 0.00 O ATOM 0 H GLU A 76 11.692 0.257 -3.296 1.00 0.00 H new ATOM 0 HA GLU A 76 11.846 1.729 -0.754 1.00 0.00 H new ATOM 0 HB2 GLU A 76 14.144 1.073 -1.195 1.00 0.00 H new ATOM 0 HB3 GLU A 76 14.014 1.543 -2.878 1.00 0.00 H new ATOM 0 HG2 GLU A 76 14.113 3.823 -2.402 1.00 0.00 H new ATOM 0 HG3 GLU A 76 13.515 3.622 -0.767 1.00 0.00 H new ATOM 1114 N TYR A 77 10.602 3.495 -1.941 1.00 0.00 N ATOM 1115 CA TYR A 77 9.887 4.585 -2.593 1.00 0.00 C ATOM 1116 C TYR A 77 10.561 5.924 -2.311 1.00 0.00 C ATOM 1117 O TYR A 77 10.653 6.356 -1.162 1.00 0.00 O ATOM 1118 CB TYR A 77 8.433 4.623 -2.121 1.00 0.00 C ATOM 1119 CG TYR A 77 7.616 3.436 -2.579 1.00 0.00 C ATOM 1120 CD1 TYR A 77 7.611 2.251 -1.853 1.00 0.00 C ATOM 1121 CD2 TYR A 77 6.851 3.499 -3.737 1.00 0.00 C ATOM 1122 CE1 TYR A 77 6.866 1.163 -2.268 1.00 0.00 C ATOM 1123 CE2 TYR A 77 6.102 2.417 -4.158 1.00 0.00 C ATOM 1124 CZ TYR A 77 6.114 1.251 -3.420 1.00 0.00 C ATOM 1125 OH TYR A 77 5.371 0.170 -3.837 1.00 0.00 O ATOM 0 H TYR A 77 10.362 3.362 -0.959 1.00 0.00 H new ATOM 0 HA TYR A 77 9.908 4.408 -3.668 1.00 0.00 H new ATOM 0 HB2 TYR A 77 8.414 4.668 -1.032 1.00 0.00 H new ATOM 0 HB3 TYR A 77 7.965 5.538 -2.486 1.00 0.00 H new ATOM 0 HD1 TYR A 77 8.199 2.179 -0.950 1.00 0.00 H new ATOM 0 HD2 TYR A 77 6.842 4.409 -4.318 1.00 0.00 H new ATOM 0 HE1 TYR A 77 6.873 0.249 -1.693 1.00 0.00 H new ATOM 0 HE2 TYR A 77 5.511 2.483 -5.059 1.00 0.00 H new ATOM 0 HH TYR A 77 4.899 0.397 -4.665 1.00 0.00 H new ATOM 1135 N SER A 78 11.030 6.578 -3.369 1.00 0.00 N ATOM 1136 CA SER A 78 11.699 7.867 -3.237 1.00 0.00 C ATOM 1137 C SER A 78 10.783 9.002 -3.684 1.00 0.00 C ATOM 1138 O SER A 78 9.985 8.843 -4.608 1.00 0.00 O ATOM 1139 CB SER A 78 12.989 7.883 -4.059 1.00 0.00 C ATOM 1140 OG SER A 78 13.711 6.675 -3.898 1.00 0.00 O ATOM 0 H SER A 78 10.959 6.236 -4.327 1.00 0.00 H new ATOM 0 HA SER A 78 11.946 8.015 -2.186 1.00 0.00 H new ATOM 0 HB2 SER A 78 12.751 8.030 -5.112 1.00 0.00 H new ATOM 0 HB3 SER A 78 13.609 8.725 -3.752 1.00 0.00 H new ATOM 0 HG SER A 78 14.530 6.710 -4.435 1.00 0.00 H new ATOM 1146 N CYS A 79 10.904 10.147 -3.021 1.00 0.00 N ATOM 1147 CA CYS A 79 10.086 11.310 -3.348 1.00 0.00 C ATOM 1148 C CYS A 79 10.962 12.500 -3.729 1.00 0.00 C ATOM 1149 O CYS A 79 11.722 13.011 -2.908 1.00 0.00 O ATOM 1150 CB CYS A 79 9.190 11.679 -2.165 1.00 0.00 C ATOM 1151 SG CYS A 79 7.669 12.539 -2.632 1.00 0.00 S ATOM 0 H CYS A 79 11.560 10.295 -2.254 1.00 0.00 H new ATOM 0 HA CYS A 79 9.459 11.054 -4.202 1.00 0.00 H new ATOM 0 HB2 CYS A 79 8.929 10.770 -1.623 1.00 0.00 H new ATOM 0 HB3 CYS A 79 9.755 12.309 -1.478 1.00 0.00 H new ATOM 0 HG CYS A 79 6.661 11.724 -2.531 1.00 0.00 H new ATOM 1157 N MET A 80 10.849 12.934 -4.980 1.00 0.00 N ATOM 1158 CA MET A 80 11.631 14.063 -5.470 1.00 0.00 C ATOM 1159 C MET A 80 10.831 15.359 -5.379 1.00 0.00 C ATOM 1160 O MET A 80 9.716 15.448 -5.893 1.00 0.00 O ATOM 1161 CB MET A 80 12.067 13.820 -6.916 1.00 0.00 C ATOM 1162 CG MET A 80 12.850 12.531 -7.107 1.00 0.00 C ATOM 1163 SD MET A 80 13.654 12.438 -8.718 1.00 0.00 S ATOM 1164 CE MET A 80 14.097 10.704 -8.776 1.00 0.00 C ATOM 0 H MET A 80 10.224 12.521 -5.672 1.00 0.00 H new ATOM 0 HA MET A 80 12.517 14.159 -4.842 1.00 0.00 H new ATOM 0 HB2 MET A 80 11.184 13.797 -7.554 1.00 0.00 H new ATOM 0 HB3 MET A 80 12.678 14.659 -7.248 1.00 0.00 H new ATOM 0 HG2 MET A 80 13.604 12.449 -6.324 1.00 0.00 H new ATOM 0 HG3 MET A 80 12.177 11.681 -6.992 1.00 0.00 H new ATOM 0 HE1 MET A 80 14.184 10.385 -9.815 1.00 0.00 H new ATOM 0 HE2 MET A 80 15.051 10.555 -8.270 1.00 0.00 H new ATOM 0 HE3 MET A 80 13.327 10.115 -8.279 1.00 0.00 H new ATOM 1174 N CYS A 81 11.407 16.359 -4.722 1.00 0.00 N ATOM 1175 CA CYS A 81 10.747 17.650 -4.562 1.00 0.00 C ATOM 1176 C CYS A 81 11.693 18.792 -4.917 1.00 0.00 C ATOM 1177 O CYS A 81 12.503 19.218 -4.096 1.00 0.00 O ATOM 1178 CB CYS A 81 10.243 17.815 -3.127 1.00 0.00 C ATOM 1179 SG CYS A 81 9.388 19.378 -2.820 1.00 0.00 S ATOM 0 H CYS A 81 12.330 16.301 -4.291 1.00 0.00 H new ATOM 0 HA CYS A 81 9.897 17.682 -5.243 1.00 0.00 H new ATOM 0 HB2 CYS A 81 9.568 16.992 -2.894 1.00 0.00 H new ATOM 0 HB3 CYS A 81 11.089 17.736 -2.445 1.00 0.00 H new ATOM 0 HG CYS A 81 8.417 19.516 -3.673 1.00 0.00 H new ATOM 1185 N GLY A 82 11.584 19.283 -6.148 1.00 0.00 N ATOM 1186 CA GLY A 82 12.437 20.371 -6.590 1.00 0.00 C ATOM 1187 C GLY A 82 13.886 19.949 -6.737 1.00 0.00 C ATOM 1188 O GLY A 82 14.315 19.546 -7.818 1.00 0.00 O ATOM 0 H GLY A 82 10.921 18.947 -6.846 1.00 0.00 H new ATOM 0 HA2 GLY A 82 12.073 20.749 -7.546 1.00 0.00 H new ATOM 0 HA3 GLY A 82 12.372 21.193 -5.877 1.00 0.00 H new ATOM 1192 N GLN A 83 14.640 20.042 -5.647 1.00 0.00 N ATOM 1193 CA GLN A 83 16.050 19.669 -5.660 1.00 0.00 C ATOM 1194 C GLN A 83 16.330 18.562 -4.648 1.00 0.00 C ATOM 1195 O GLN A 83 17.130 17.663 -4.903 1.00 0.00 O ATOM 1196 CB GLN A 83 16.925 20.886 -5.357 1.00 0.00 C ATOM 1197 CG GLN A 83 18.310 20.810 -5.978 1.00 0.00 C ATOM 1198 CD GLN A 83 19.221 19.838 -5.254 1.00 0.00 C ATOM 1199 OE1 GLN A 83 19.490 19.992 -4.062 1.00 0.00 O ATOM 1200 NE2 GLN A 83 19.703 18.830 -5.972 1.00 0.00 N ATOM 0 H GLN A 83 14.299 20.372 -4.744 1.00 0.00 H new ATOM 0 HA GLN A 83 16.291 19.296 -6.655 1.00 0.00 H new ATOM 0 HB2 GLN A 83 16.423 21.783 -5.719 1.00 0.00 H new ATOM 0 HB3 GLN A 83 17.026 20.991 -4.277 1.00 0.00 H new ATOM 0 HG2 GLN A 83 18.220 20.509 -7.022 1.00 0.00 H new ATOM 0 HG3 GLN A 83 18.763 21.801 -5.970 1.00 0.00 H new ATOM 0 HE21 GLN A 83 19.454 18.741 -6.957 1.00 0.00 H new ATOM 0 HE22 GLN A 83 20.322 18.145 -5.538 1.00 0.00 H new ATOM 1209 N GLU A 84 15.664 18.636 -3.500 1.00 0.00 N ATOM 1210 CA GLU A 84 15.843 17.640 -2.449 1.00 0.00 C ATOM 1211 C GLU A 84 15.213 16.309 -2.848 1.00 0.00 C ATOM 1212 O GLU A 84 14.563 16.205 -3.888 1.00 0.00 O ATOM 1213 CB GLU A 84 15.230 18.135 -1.137 1.00 0.00 C ATOM 1214 CG GLU A 84 16.137 19.069 -0.355 1.00 0.00 C ATOM 1215 CD GLU A 84 16.849 20.071 -1.244 1.00 0.00 C ATOM 1216 OE1 GLU A 84 16.197 21.038 -1.689 1.00 0.00 O ATOM 1217 OE2 GLU A 84 18.059 19.887 -1.494 1.00 0.00 O ATOM 0 H GLU A 84 14.997 19.374 -3.274 1.00 0.00 H new ATOM 0 HA GLU A 84 16.913 17.487 -2.307 1.00 0.00 H new ATOM 0 HB2 GLU A 84 14.294 18.649 -1.355 1.00 0.00 H new ATOM 0 HB3 GLU A 84 14.984 17.275 -0.514 1.00 0.00 H new ATOM 0 HG2 GLU A 84 15.547 19.604 0.389 1.00 0.00 H new ATOM 0 HG3 GLU A 84 16.877 18.481 0.188 1.00 0.00 H new ATOM 1224 N ARG A 85 15.411 15.294 -2.014 1.00 0.00 N ATOM 1225 CA ARG A 85 14.864 13.968 -2.280 1.00 0.00 C ATOM 1226 C ARG A 85 14.913 13.099 -1.027 1.00 0.00 C ATOM 1227 O ARG A 85 15.821 13.225 -0.205 1.00 0.00 O ATOM 1228 CB ARG A 85 15.638 13.292 -3.413 1.00 0.00 C ATOM 1229 CG ARG A 85 15.038 11.967 -3.853 1.00 0.00 C ATOM 1230 CD ARG A 85 15.983 11.205 -4.769 1.00 0.00 C ATOM 1231 NE ARG A 85 16.903 10.353 -4.020 1.00 0.00 N ATOM 1232 CZ ARG A 85 17.839 9.602 -4.590 1.00 0.00 C ATOM 1233 NH1 ARG A 85 17.977 9.597 -5.909 1.00 0.00 N ATOM 1234 NH2 ARG A 85 18.639 8.854 -3.841 1.00 0.00 N ATOM 0 H ARG A 85 15.946 15.364 -1.148 1.00 0.00 H new ATOM 0 HA ARG A 85 13.823 14.085 -2.580 1.00 0.00 H new ATOM 0 HB2 ARG A 85 15.676 13.966 -4.269 1.00 0.00 H new ATOM 0 HB3 ARG A 85 16.666 13.127 -3.091 1.00 0.00 H new ATOM 0 HG2 ARG A 85 14.811 11.360 -2.977 1.00 0.00 H new ATOM 0 HG3 ARG A 85 14.095 12.147 -4.369 1.00 0.00 H new ATOM 0 HD2 ARG A 85 15.403 10.593 -5.460 1.00 0.00 H new ATOM 0 HD3 ARG A 85 16.553 11.912 -5.371 1.00 0.00 H new ATOM 0 HE ARG A 85 16.822 10.334 -3.003 1.00 0.00 H new ATOM 0 HH11 ARG A 85 17.364 10.171 -6.488 1.00 0.00 H new ATOM 0 HH12 ARG A 85 18.696 9.020 -6.344 1.00 0.00 H new ATOM 0 HH21 ARG A 85 18.536 8.855 -2.826 1.00 0.00 H new ATOM 0 HH22 ARG A 85 19.357 8.278 -4.280 1.00 0.00 H new ATOM 1248 N THR A 86 13.929 12.216 -0.887 1.00 0.00 N ATOM 1249 CA THR A 86 13.858 11.327 0.266 1.00 0.00 C ATOM 1250 C THR A 86 13.521 9.902 -0.159 1.00 0.00 C ATOM 1251 O THR A 86 13.054 9.670 -1.274 1.00 0.00 O ATOM 1252 CB THR A 86 12.808 11.809 1.284 1.00 0.00 C ATOM 1253 OG1 THR A 86 12.737 10.896 2.385 1.00 0.00 O ATOM 1254 CG2 THR A 86 11.439 11.931 0.632 1.00 0.00 C ATOM 0 H THR A 86 13.170 12.098 -1.558 1.00 0.00 H new ATOM 0 HA THR A 86 14.841 11.340 0.736 1.00 0.00 H new ATOM 0 HB THR A 86 13.110 12.792 1.646 1.00 0.00 H new ATOM 0 HG1 THR A 86 13.250 11.253 3.140 1.00 0.00 H new ATOM 0 HG21 THR A 86 10.714 12.273 1.370 1.00 0.00 H new ATOM 0 HG22 THR A 86 11.489 12.648 -0.187 1.00 0.00 H new ATOM 0 HG23 THR A 86 11.132 10.959 0.245 1.00 0.00 H new ATOM 1262 N SER A 87 13.760 8.950 0.738 1.00 0.00 N ATOM 1263 CA SER A 87 13.485 7.546 0.454 1.00 0.00 C ATOM 1264 C SER A 87 13.008 6.822 1.710 1.00 0.00 C ATOM 1265 O SER A 87 13.512 7.061 2.807 1.00 0.00 O ATOM 1266 CB SER A 87 14.735 6.861 -0.100 1.00 0.00 C ATOM 1267 OG SER A 87 15.839 7.030 0.774 1.00 0.00 O ATOM 0 H SER A 87 14.143 9.125 1.667 1.00 0.00 H new ATOM 0 HA SER A 87 12.694 7.500 -0.294 1.00 0.00 H new ATOM 0 HB2 SER A 87 14.539 5.798 -0.242 1.00 0.00 H new ATOM 0 HB3 SER A 87 14.976 7.274 -1.080 1.00 0.00 H new ATOM 0 HG SER A 87 16.625 6.582 0.398 1.00 0.00 H new ATOM 1273 N ALA A 88 12.033 5.935 1.539 1.00 0.00 N ATOM 1274 CA ALA A 88 11.489 5.174 2.657 1.00 0.00 C ATOM 1275 C ALA A 88 11.200 3.733 2.251 1.00 0.00 C ATOM 1276 O ALA A 88 10.283 3.467 1.473 1.00 0.00 O ATOM 1277 CB ALA A 88 10.225 5.839 3.183 1.00 0.00 C ATOM 0 H ALA A 88 11.604 5.726 0.638 1.00 0.00 H new ATOM 0 HA ALA A 88 12.236 5.158 3.451 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.830 5.260 4.018 1.00 0.00 H new ATOM 0 HB2 ALA A 88 10.459 6.849 3.520 1.00 0.00 H new ATOM 0 HB3 ALA A 88 9.480 5.885 2.388 1.00 0.00 H new ATOM 1283 N THR A 89 11.990 2.804 2.781 1.00 0.00 N ATOM 1284 CA THR A 89 11.821 1.390 2.472 1.00 0.00 C ATOM 1285 C THR A 89 10.526 0.848 3.068 1.00 0.00 C ATOM 1286 O THR A 89 10.291 0.958 4.272 1.00 0.00 O ATOM 1287 CB THR A 89 13.004 0.555 2.998 1.00 0.00 C ATOM 1288 OG1 THR A 89 14.223 0.994 2.390 1.00 0.00 O ATOM 1289 CG2 THR A 89 12.792 -0.924 2.711 1.00 0.00 C ATOM 0 H THR A 89 12.753 3.006 3.427 1.00 0.00 H new ATOM 0 HA THR A 89 11.781 1.306 1.386 1.00 0.00 H new ATOM 0 HB THR A 89 13.067 0.694 4.077 1.00 0.00 H new ATOM 0 HG1 THR A 89 14.970 0.459 2.731 1.00 0.00 H new ATOM 0 HG21 THR A 89 13.640 -1.494 3.091 1.00 0.00 H new ATOM 0 HG22 THR A 89 11.879 -1.262 3.200 1.00 0.00 H new ATOM 0 HG23 THR A 89 12.705 -1.077 1.635 1.00 0.00 H new ATOM 1297 N LEU A 90 9.690 0.263 2.218 1.00 0.00 N ATOM 1298 CA LEU A 90 8.418 -0.298 2.661 1.00 0.00 C ATOM 1299 C LEU A 90 8.556 -1.786 2.968 1.00 0.00 C ATOM 1300 O LEU A 90 9.369 -2.484 2.361 1.00 0.00 O ATOM 1301 CB LEU A 90 7.344 -0.083 1.593 1.00 0.00 C ATOM 1302 CG LEU A 90 6.049 -0.876 1.773 1.00 0.00 C ATOM 1303 CD1 LEU A 90 5.059 -0.095 2.623 1.00 0.00 C ATOM 1304 CD2 LEU A 90 5.441 -1.219 0.422 1.00 0.00 C ATOM 0 H LEU A 90 9.869 0.165 1.219 1.00 0.00 H new ATOM 0 HA LEU A 90 8.121 0.216 3.575 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.096 0.978 1.565 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.770 -0.337 0.622 1.00 0.00 H new ATOM 0 HG LEU A 90 6.284 -1.807 2.289 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.143 -0.675 2.740 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.494 0.098 3.603 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.829 0.852 2.135 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.520 -1.783 0.570 1.00 0.00 H new ATOM 0 HD22 LEU A 90 5.220 -0.300 -0.121 1.00 0.00 H new ATOM 0 HD23 LEU A 90 6.146 -1.820 -0.152 1.00 0.00 H new ATOM 1316 N THR A 91 7.754 -2.267 3.913 1.00 0.00 N ATOM 1317 CA THR A 91 7.785 -3.671 4.300 1.00 0.00 C ATOM 1318 C THR A 91 6.455 -4.354 4.001 1.00 0.00 C ATOM 1319 O THR A 91 5.407 -3.936 4.495 1.00 0.00 O ATOM 1320 CB THR A 91 8.108 -3.834 5.797 1.00 0.00 C ATOM 1321 OG1 THR A 91 9.307 -3.120 6.120 1.00 0.00 O ATOM 1322 CG2 THR A 91 8.274 -5.303 6.158 1.00 0.00 C ATOM 0 H THR A 91 7.075 -1.704 4.424 1.00 0.00 H new ATOM 0 HA THR A 91 8.572 -4.143 3.712 1.00 0.00 H new ATOM 0 HB THR A 91 7.277 -3.426 6.372 1.00 0.00 H new ATOM 0 HG1 THR A 91 9.505 -3.227 7.074 1.00 0.00 H new ATOM 0 HG21 THR A 91 8.502 -5.393 7.220 1.00 0.00 H new ATOM 0 HG22 THR A 91 7.350 -5.838 5.938 1.00 0.00 H new ATOM 0 HG23 THR A 91 9.089 -5.731 5.575 1.00 0.00 H new ATOM 1330 N VAL A 92 6.504 -5.406 3.191 1.00 0.00 N ATOM 1331 CA VAL A 92 5.303 -6.148 2.828 1.00 0.00 C ATOM 1332 C VAL A 92 5.375 -7.588 3.324 1.00 0.00 C ATOM 1333 O VAL A 92 6.345 -8.298 3.059 1.00 0.00 O ATOM 1334 CB VAL A 92 5.084 -6.152 1.304 1.00 0.00 C ATOM 1335 CG1 VAL A 92 3.859 -6.978 0.941 1.00 0.00 C ATOM 1336 CG2 VAL A 92 4.952 -4.729 0.781 1.00 0.00 C ATOM 0 H VAL A 92 7.363 -5.764 2.773 1.00 0.00 H new ATOM 0 HA VAL A 92 4.464 -5.644 3.307 1.00 0.00 H new ATOM 0 HB VAL A 92 5.953 -6.610 0.831 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.721 -6.969 -0.140 1.00 0.00 H new ATOM 0 HG12 VAL A 92 3.999 -8.004 1.280 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.978 -6.554 1.423 1.00 0.00 H new ATOM 0 HG21 VAL A 92 4.798 -4.751 -0.298 1.00 0.00 H new ATOM 0 HG22 VAL A 92 4.102 -4.243 1.259 1.00 0.00 H new ATOM 0 HG23 VAL A 92 5.862 -4.173 1.006 1.00 0.00 H new ATOM 1346 N ARG A 93 4.342 -8.013 4.044 1.00 0.00 N ATOM 1347 CA ARG A 93 4.289 -9.369 4.577 1.00 0.00 C ATOM 1348 C ARG A 93 3.546 -10.300 3.623 1.00 0.00 C ATOM 1349 O ARG A 93 2.524 -9.928 3.048 1.00 0.00 O ATOM 1350 CB ARG A 93 3.606 -9.374 5.946 1.00 0.00 C ATOM 1351 CG ARG A 93 4.472 -8.809 7.061 1.00 0.00 C ATOM 1352 CD ARG A 93 5.307 -9.894 7.722 1.00 0.00 C ATOM 1353 NE ARG A 93 5.645 -9.559 9.103 1.00 0.00 N ATOM 1354 CZ ARG A 93 6.368 -10.344 9.894 1.00 0.00 C ATOM 1355 NH1 ARG A 93 6.828 -11.503 9.442 1.00 0.00 N ATOM 1356 NH2 ARG A 93 6.634 -9.970 11.139 1.00 0.00 N ATOM 0 H ARG A 93 3.531 -7.438 4.272 1.00 0.00 H new ATOM 0 HA ARG A 93 5.312 -9.730 4.686 1.00 0.00 H new ATOM 0 HB2 ARG A 93 2.684 -8.796 5.885 1.00 0.00 H new ATOM 0 HB3 ARG A 93 3.325 -10.396 6.199 1.00 0.00 H new ATOM 0 HG2 ARG A 93 5.129 -8.038 6.658 1.00 0.00 H new ATOM 0 HG3 ARG A 93 3.839 -8.330 7.808 1.00 0.00 H new ATOM 0 HD2 ARG A 93 4.759 -10.836 7.701 1.00 0.00 H new ATOM 0 HD3 ARG A 93 6.223 -10.045 7.151 1.00 0.00 H new ATOM 0 HE ARG A 93 5.307 -8.674 9.481 1.00 0.00 H new ATOM 0 HH11 ARG A 93 6.627 -11.793 8.485 1.00 0.00 H new ATOM 0 HH12 ARG A 93 7.383 -12.104 10.051 1.00 0.00 H new ATOM 0 HH21 ARG A 93 6.283 -9.079 11.490 1.00 0.00 H new ATOM 0 HH22 ARG A 93 7.189 -10.574 11.745 1.00 0.00 H new ATOM 1370 N ALA A 94 4.069 -11.511 3.460 1.00 0.00 N ATOM 1371 CA ALA A 94 3.455 -12.495 2.577 1.00 0.00 C ATOM 1372 C ALA A 94 2.315 -13.226 3.278 1.00 0.00 C ATOM 1373 O ALA A 94 2.401 -13.538 4.466 1.00 0.00 O ATOM 1374 CB ALA A 94 4.499 -13.488 2.087 1.00 0.00 C ATOM 0 H ALA A 94 4.916 -11.834 3.928 1.00 0.00 H new ATOM 0 HA ALA A 94 3.040 -11.967 1.718 1.00 0.00 H new ATOM 0 HB1 ALA A 94 4.027 -14.217 1.429 1.00 0.00 H new ATOM 0 HB2 ALA A 94 5.278 -12.957 1.541 1.00 0.00 H new ATOM 0 HB3 ALA A 94 4.941 -14.002 2.940 1.00 0.00 H new ATOM 1380 N LEU A 95 1.247 -13.495 2.536 1.00 0.00 N ATOM 1381 CA LEU A 95 0.088 -14.189 3.086 1.00 0.00 C ATOM 1382 C LEU A 95 0.507 -15.475 3.791 1.00 0.00 C ATOM 1383 O LEU A 95 1.542 -16.069 3.488 1.00 0.00 O ATOM 1384 CB LEU A 95 -0.916 -14.507 1.977 1.00 0.00 C ATOM 1385 CG LEU A 95 -1.641 -13.308 1.364 1.00 0.00 C ATOM 1386 CD1 LEU A 95 -3.004 -13.723 0.833 1.00 0.00 C ATOM 1387 CD2 LEU A 95 -1.783 -12.191 2.388 1.00 0.00 C ATOM 0 H LEU A 95 1.159 -13.243 1.551 1.00 0.00 H new ATOM 0 HA LEU A 95 -0.383 -13.532 3.817 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -0.392 -15.035 1.181 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -1.663 -15.193 2.376 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.047 -12.936 0.529 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.505 -12.857 0.401 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.879 -14.489 0.068 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.607 -14.121 1.649 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.301 -11.346 1.935 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -2.355 -12.552 3.243 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -0.794 -11.875 2.721 1.00 0.00 H new