USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 394 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 10 MET CE :methyl -128:sc= -0.777 (180deg=-5.67!) USER MOD Set 1.2: A 69 HIS : no HD1:sc= -0.133 K(o=-0.91,f=-2) USER MOD Set 2.1: A 45 MET CE :methyl 173:sc= -1.34 (180deg=-1.52) USER MOD Set 2.2: A 51 TYR OH : rot 40:sc= 0.0944 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 110:sc= -0.0517 USER MOD Single : A 40 MET CE :methyl -112:sc= -1.29 (180deg=-4.14!) USER MOD Single : A 42 TYR OH : rot 148:sc= 0.0657 USER MOD Single : A 48 GLN : amide:sc= -0.317 X(o=-0.32,f=-0.2) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 65 HIS : no HD1:sc= -1.02 K(o=-1,f=-2.2) USER MOD Single : A 70 MET CE :methyl -126:sc= -0.377 (180deg=-1.96) USER MOD ----------------------------------------------------------------- ATOM 66 N LYS A 8 -0.239 -9.405 0.713 1.00 0.00 N ATOM 67 CA LYS A 8 -1.226 -9.298 -0.354 1.00 0.00 C ATOM 68 C LYS A 8 -0.729 -8.379 -1.465 1.00 0.00 C ATOM 69 O LYS A 8 0.292 -7.705 -1.316 1.00 0.00 O ATOM 70 CB LYS A 8 -2.552 -8.773 0.201 1.00 0.00 C ATOM 71 CG LYS A 8 -3.768 -9.249 -0.576 1.00 0.00 C ATOM 72 CD LYS A 8 -5.003 -9.313 0.306 1.00 0.00 C ATOM 73 CE LYS A 8 -5.429 -7.929 0.771 1.00 0.00 C ATOM 74 NZ LYS A 8 -6.848 -7.908 1.223 1.00 0.00 N ATOM 0 HA LYS A 8 -1.382 -10.293 -0.772 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -2.650 -9.086 1.241 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.532 -7.683 0.196 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -3.952 -8.576 -1.413 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -3.569 -10.234 -0.997 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -5.820 -9.781 -0.244 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.800 -9.943 1.172 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -4.783 -7.605 1.587 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -5.296 -7.216 -0.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -7.100 -6.947 1.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -7.467 -8.192 0.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -6.970 -8.570 2.016 1.00 0.00 H new ATOM 88 N ILE A 9 -1.455 -8.356 -2.577 1.00 0.00 N ATOM 89 CA ILE A 9 -1.088 -7.517 -3.712 1.00 0.00 C ATOM 90 C ILE A 9 -2.232 -6.588 -4.102 1.00 0.00 C ATOM 91 O ILE A 9 -3.331 -7.040 -4.420 1.00 0.00 O ATOM 92 CB ILE A 9 -0.691 -8.366 -4.934 1.00 0.00 C ATOM 93 CG1 ILE A 9 0.337 -9.426 -4.534 1.00 0.00 C ATOM 94 CG2 ILE A 9 -0.141 -7.477 -6.040 1.00 0.00 C ATOM 95 CD1 ILE A 9 0.737 -10.339 -5.672 1.00 0.00 C ATOM 0 H ILE A 9 -2.301 -8.908 -2.717 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.230 -6.921 -3.400 1.00 0.00 H new ATOM 0 HB ILE A 9 -1.580 -8.873 -5.310 1.00 0.00 H new ATOM 0 HG12 ILE A 9 1.227 -8.930 -4.147 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -0.071 -10.028 -3.722 1.00 0.00 H new ATOM 0 HG21 ILE A 9 0.135 -8.091 -6.897 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -0.902 -6.757 -6.340 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.738 -6.945 -5.676 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.468 -11.065 -5.316 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -0.143 -10.863 -6.045 1.00 0.00 H new ATOM 0 HD13 ILE A 9 1.175 -9.748 -6.476 1.00 0.00 H new ATOM 107 N MET A 10 -1.965 -5.286 -4.076 1.00 0.00 N ATOM 108 CA MET A 10 -2.972 -4.293 -4.430 1.00 0.00 C ATOM 109 C MET A 10 -2.394 -3.247 -5.379 1.00 0.00 C ATOM 110 O MET A 10 -1.176 -3.112 -5.501 1.00 0.00 O ATOM 111 CB MET A 10 -3.513 -3.613 -3.171 1.00 0.00 C ATOM 112 CG MET A 10 -4.102 -4.585 -2.161 1.00 0.00 C ATOM 113 SD MET A 10 -5.905 -4.598 -2.179 1.00 0.00 S ATOM 114 CE MET A 10 -6.262 -3.000 -1.454 1.00 0.00 C ATOM 0 H MET A 10 -1.060 -4.895 -3.814 1.00 0.00 H new ATOM 0 HA MET A 10 -3.790 -4.806 -4.937 1.00 0.00 H new ATOM 0 HB2 MET A 10 -2.708 -3.052 -2.696 1.00 0.00 H new ATOM 0 HB3 MET A 10 -4.278 -2.892 -3.458 1.00 0.00 H new ATOM 0 HG2 MET A 10 -3.733 -5.589 -2.371 1.00 0.00 H new ATOM 0 HG3 MET A 10 -3.754 -4.320 -1.162 1.00 0.00 H new ATOM 0 HE1 MET A 10 -6.959 -3.124 -0.625 1.00 0.00 H new ATOM 0 HE2 MET A 10 -5.338 -2.552 -1.087 1.00 0.00 H new ATOM 0 HE3 MET A 10 -6.706 -2.350 -2.208 1.00 0.00 H new ATOM 124 N ILE A 11 -3.275 -2.510 -6.047 1.00 0.00 N ATOM 125 CA ILE A 11 -2.851 -1.476 -6.983 1.00 0.00 C ATOM 126 C ILE A 11 -3.447 -0.122 -6.614 1.00 0.00 C ATOM 127 O ILE A 11 -4.605 -0.033 -6.207 1.00 0.00 O ATOM 128 CB ILE A 11 -3.253 -1.825 -8.428 1.00 0.00 C ATOM 129 CG1 ILE A 11 -2.445 -3.023 -8.930 1.00 0.00 C ATOM 130 CG2 ILE A 11 -3.052 -0.624 -9.339 1.00 0.00 C ATOM 131 CD1 ILE A 11 -2.968 -3.604 -10.226 1.00 0.00 C ATOM 0 H ILE A 11 -4.286 -2.610 -5.958 1.00 0.00 H new ATOM 0 HA ILE A 11 -1.764 -1.421 -6.920 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.310 -2.092 -8.441 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.408 -2.719 -9.070 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.449 -3.800 -8.165 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -3.341 -0.887 -10.357 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -3.668 0.205 -8.990 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -2.003 -0.328 -9.324 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.347 -4.450 -10.522 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.996 -3.940 -10.086 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.938 -2.842 -11.005 1.00 0.00 H new ATOM 143 N ALA A 12 -2.649 0.930 -6.761 1.00 0.00 N ATOM 144 CA ALA A 12 -3.099 2.280 -6.447 1.00 0.00 C ATOM 145 C ALA A 12 -4.069 2.796 -7.505 1.00 0.00 C ATOM 146 O ALA A 12 -3.657 3.210 -8.588 1.00 0.00 O ATOM 147 CB ALA A 12 -1.907 3.218 -6.319 1.00 0.00 C ATOM 0 H ALA A 12 -1.687 0.873 -7.096 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.626 2.248 -5.493 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.258 4.223 -6.084 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.252 2.867 -5.522 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -1.356 3.237 -7.259 1.00 0.00 H new ATOM 153 N ALA A 13 -5.358 2.766 -7.184 1.00 0.00 N ATOM 154 CA ALA A 13 -6.386 3.232 -8.107 1.00 0.00 C ATOM 155 C ALA A 13 -6.176 4.698 -8.469 1.00 0.00 C ATOM 156 O ALA A 13 -6.661 5.171 -9.497 1.00 0.00 O ATOM 157 CB ALA A 13 -7.768 3.028 -7.505 1.00 0.00 C ATOM 0 H ALA A 13 -5.715 2.424 -6.292 1.00 0.00 H new ATOM 0 HA ALA A 13 -6.310 2.645 -9.022 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -8.525 3.380 -8.205 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -7.925 1.968 -7.304 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -7.846 3.589 -6.574 1.00 0.00 H new ATOM 163 N LEU A 14 -5.450 5.415 -7.617 1.00 0.00 N ATOM 164 CA LEU A 14 -5.176 6.829 -7.846 1.00 0.00 C ATOM 165 C LEU A 14 -3.733 7.169 -7.486 1.00 0.00 C ATOM 166 O LEU A 14 -3.059 6.406 -6.794 1.00 0.00 O ATOM 167 CB LEU A 14 -6.136 7.694 -7.028 1.00 0.00 C ATOM 168 CG LEU A 14 -7.627 7.451 -7.266 1.00 0.00 C ATOM 169 CD1 LEU A 14 -8.387 7.463 -5.949 1.00 0.00 C ATOM 170 CD2 LEU A 14 -8.191 8.495 -8.219 1.00 0.00 C ATOM 0 H LEU A 14 -5.041 5.040 -6.761 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.325 7.036 -8.906 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.926 7.534 -5.970 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.921 8.741 -7.240 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.748 6.468 -7.722 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -9.446 7.288 -6.139 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.001 6.678 -5.299 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -8.260 8.431 -5.464 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -9.253 8.307 -8.377 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -8.058 9.488 -7.790 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.666 8.438 -9.173 1.00 0.00 H new ATOM 182 N ASP A 15 -3.267 8.321 -7.957 1.00 0.00 N ATOM 183 CA ASP A 15 -1.906 8.765 -7.682 1.00 0.00 C ATOM 184 C ASP A 15 -1.829 9.480 -6.337 1.00 0.00 C ATOM 185 O ASP A 15 -2.244 10.633 -6.211 1.00 0.00 O ATOM 186 CB ASP A 15 -1.413 9.690 -8.795 1.00 0.00 C ATOM 187 CG ASP A 15 -2.321 10.888 -8.996 1.00 0.00 C ATOM 188 OD1 ASP A 15 -3.420 10.711 -9.564 1.00 0.00 O ATOM 189 OD2 ASP A 15 -1.934 12.001 -8.585 1.00 0.00 O ATOM 0 H ASP A 15 -3.812 8.964 -8.531 1.00 0.00 H new ATOM 0 HA ASP A 15 -1.264 7.885 -7.642 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -0.407 10.036 -8.557 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -1.345 9.129 -9.727 1.00 0.00 H new ATOM 194 N TYR A 16 -1.297 8.790 -5.334 1.00 0.00 N ATOM 195 CA TYR A 16 -1.170 9.358 -3.998 1.00 0.00 C ATOM 196 C TYR A 16 0.201 10.001 -3.807 1.00 0.00 C ATOM 197 O TYR A 16 1.226 9.319 -3.818 1.00 0.00 O ATOM 198 CB TYR A 16 -1.390 8.278 -2.938 1.00 0.00 C ATOM 199 CG TYR A 16 -1.459 8.818 -1.527 1.00 0.00 C ATOM 200 CD1 TYR A 16 -2.176 9.973 -1.240 1.00 0.00 C ATOM 201 CD2 TYR A 16 -0.808 8.174 -0.483 1.00 0.00 C ATOM 202 CE1 TYR A 16 -2.241 10.471 0.047 1.00 0.00 C ATOM 203 CE2 TYR A 16 -0.869 8.663 0.807 1.00 0.00 C ATOM 204 CZ TYR A 16 -1.587 9.812 1.067 1.00 0.00 C ATOM 205 OH TYR A 16 -1.649 10.304 2.351 1.00 0.00 O ATOM 0 H TYR A 16 -0.947 7.836 -5.422 1.00 0.00 H new ATOM 0 HA TYR A 16 -1.932 10.129 -3.886 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -2.315 7.746 -3.160 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -0.581 7.550 -3.000 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.691 10.490 -2.036 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -0.244 7.275 -0.683 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -2.801 11.371 0.253 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -0.358 8.149 1.608 1.00 0.00 H new ATOM 0 HH TYR A 16 -2.194 9.707 2.904 1.00 0.00 H new ATOM 215 N ASP A 17 0.211 11.318 -3.633 1.00 0.00 N ATOM 216 CA ASP A 17 1.454 12.054 -3.438 1.00 0.00 C ATOM 217 C ASP A 17 1.499 12.687 -2.051 1.00 0.00 C ATOM 218 O ASP A 17 1.345 13.898 -1.889 1.00 0.00 O ATOM 219 CB ASP A 17 1.605 13.134 -4.511 1.00 0.00 C ATOM 220 CG ASP A 17 2.914 13.890 -4.391 1.00 0.00 C ATOM 221 OD1 ASP A 17 3.964 13.235 -4.223 1.00 0.00 O ATOM 222 OD2 ASP A 17 2.889 15.136 -4.467 1.00 0.00 O ATOM 0 H ASP A 17 -0.628 11.898 -3.623 1.00 0.00 H new ATOM 0 HA ASP A 17 2.282 11.350 -3.523 1.00 0.00 H new ATOM 0 HB2 ASP A 17 1.544 12.674 -5.497 1.00 0.00 H new ATOM 0 HB3 ASP A 17 0.775 13.836 -4.435 1.00 0.00 H new ATOM 227 N PRO A 18 1.714 11.850 -1.025 1.00 0.00 N ATOM 228 CA PRO A 18 1.784 12.306 0.367 1.00 0.00 C ATOM 229 C PRO A 18 3.038 13.127 0.646 1.00 0.00 C ATOM 230 O PRO A 18 3.105 13.861 1.630 1.00 0.00 O ATOM 231 CB PRO A 18 1.811 11.000 1.166 1.00 0.00 C ATOM 232 CG PRO A 18 2.375 9.992 0.226 1.00 0.00 C ATOM 233 CD PRO A 18 1.907 10.395 -1.145 1.00 0.00 C ATOM 0 HA PRO A 18 0.952 12.962 0.624 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.427 11.096 2.060 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.811 10.717 1.496 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.464 9.977 0.278 1.00 0.00 H new ATOM 0 HG3 PRO A 18 2.030 8.989 0.477 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.644 10.149 -1.910 1.00 0.00 H new ATOM 0 HD3 PRO A 18 0.982 9.888 -1.419 1.00 0.00 H new ATOM 368 N ARG A 30 4.367 8.136 4.788 1.00 0.00 N ATOM 369 CA ARG A 30 3.602 7.322 3.851 1.00 0.00 C ATOM 370 C ARG A 30 4.359 7.151 2.537 1.00 0.00 C ATOM 371 O ARG A 30 5.327 7.863 2.268 1.00 0.00 O ATOM 372 CB ARG A 30 2.237 7.958 3.586 1.00 0.00 C ATOM 373 CG ARG A 30 1.279 7.856 4.762 1.00 0.00 C ATOM 374 CD ARG A 30 0.284 9.006 4.772 1.00 0.00 C ATOM 375 NE ARG A 30 -0.380 9.145 6.065 1.00 0.00 N ATOM 376 CZ ARG A 30 0.198 9.683 7.133 1.00 0.00 C ATOM 377 NH1 ARG A 30 1.444 10.131 7.062 1.00 0.00 N ATOM 378 NH2 ARG A 30 -0.471 9.775 8.276 1.00 0.00 N ATOM 0 HA ARG A 30 3.456 6.339 4.298 1.00 0.00 H new ATOM 0 HB2 ARG A 30 2.378 9.009 3.333 1.00 0.00 H new ATOM 0 HB3 ARG A 30 1.785 7.479 2.717 1.00 0.00 H new ATOM 0 HG2 ARG A 30 0.742 6.909 4.714 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.844 7.854 5.694 1.00 0.00 H new ATOM 0 HD2 ARG A 30 0.801 9.934 4.528 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -0.464 8.845 3.996 1.00 0.00 H new ATOM 0 HE ARG A 30 -1.340 8.811 6.153 1.00 0.00 H new ATOM 0 HH11 ARG A 30 1.961 10.063 6.186 1.00 0.00 H new ATOM 0 HH12 ARG A 30 1.885 10.544 7.884 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -1.430 9.432 8.335 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -0.026 10.188 9.096 1.00 0.00 H new ATOM 392 N LEU A 31 3.911 6.201 1.722 1.00 0.00 N ATOM 393 CA LEU A 31 4.546 5.936 0.435 1.00 0.00 C ATOM 394 C LEU A 31 3.727 6.526 -0.708 1.00 0.00 C ATOM 395 O LEU A 31 2.505 6.382 -0.749 1.00 0.00 O ATOM 396 CB LEU A 31 4.716 4.429 0.230 1.00 0.00 C ATOM 397 CG LEU A 31 5.650 3.720 1.212 1.00 0.00 C ATOM 398 CD1 LEU A 31 5.608 2.215 0.996 1.00 0.00 C ATOM 399 CD2 LEU A 31 7.072 4.242 1.069 1.00 0.00 C ATOM 0 H LEU A 31 3.112 5.602 1.929 1.00 0.00 H new ATOM 0 HA LEU A 31 5.527 6.410 0.437 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.734 3.961 0.291 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.087 4.259 -0.781 1.00 0.00 H new ATOM 0 HG LEU A 31 5.308 3.931 2.225 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.279 1.727 1.703 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.591 1.853 1.151 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.924 1.985 -0.021 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.722 3.726 1.776 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.425 4.063 0.054 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.089 5.312 1.275 1.00 0.00 H new ATOM 411 N ALA A 32 4.408 7.190 -1.636 1.00 0.00 N ATOM 412 CA ALA A 32 3.745 7.799 -2.782 1.00 0.00 C ATOM 413 C ALA A 32 3.410 6.754 -3.841 1.00 0.00 C ATOM 414 O ALA A 32 4.302 6.187 -4.473 1.00 0.00 O ATOM 415 CB ALA A 32 4.617 8.895 -3.376 1.00 0.00 C ATOM 0 H ALA A 32 5.420 7.320 -1.616 1.00 0.00 H new ATOM 0 HA ALA A 32 2.810 8.241 -2.437 1.00 0.00 H new ATOM 0 HB1 ALA A 32 4.109 9.341 -4.231 1.00 0.00 H new ATOM 0 HB2 ALA A 32 4.801 9.662 -2.623 1.00 0.00 H new ATOM 0 HB3 ALA A 32 5.567 8.469 -3.700 1.00 0.00 H new ATOM 421 N LEU A 33 2.119 6.503 -4.030 1.00 0.00 N ATOM 422 CA LEU A 33 1.666 5.524 -5.013 1.00 0.00 C ATOM 423 C LEU A 33 1.217 6.212 -6.298 1.00 0.00 C ATOM 424 O LEU A 33 0.867 7.392 -6.293 1.00 0.00 O ATOM 425 CB LEU A 33 0.519 4.690 -4.439 1.00 0.00 C ATOM 426 CG LEU A 33 0.751 4.095 -3.050 1.00 0.00 C ATOM 427 CD1 LEU A 33 -0.494 3.366 -2.567 1.00 0.00 C ATOM 428 CD2 LEU A 33 1.949 3.157 -3.065 1.00 0.00 C ATOM 0 H LEU A 33 1.368 6.963 -3.516 1.00 0.00 H new ATOM 0 HA LEU A 33 2.503 4.866 -5.248 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.374 5.314 -4.400 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.308 3.875 -5.131 1.00 0.00 H new ATOM 0 HG LEU A 33 0.962 4.910 -2.357 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.310 2.949 -1.577 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.329 4.065 -2.517 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.736 2.561 -3.261 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.099 2.743 -2.068 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.768 2.347 -3.771 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.839 3.709 -3.367 1.00 0.00 H new ATOM 440 N ARG A 34 1.229 5.465 -7.397 1.00 0.00 N ATOM 441 CA ARG A 34 0.822 6.003 -8.690 1.00 0.00 C ATOM 442 C ARG A 34 -0.270 5.141 -9.318 1.00 0.00 C ATOM 443 O ARG A 34 -0.380 3.951 -9.026 1.00 0.00 O ATOM 444 CB ARG A 34 2.024 6.087 -9.632 1.00 0.00 C ATOM 445 CG ARG A 34 1.729 6.820 -10.931 1.00 0.00 C ATOM 446 CD ARG A 34 1.289 8.253 -10.675 1.00 0.00 C ATOM 447 NE ARG A 34 2.300 9.015 -9.948 1.00 0.00 N ATOM 448 CZ ARG A 34 3.423 9.460 -10.501 1.00 0.00 C ATOM 449 NH1 ARG A 34 3.676 9.220 -11.781 1.00 0.00 N ATOM 450 NH2 ARG A 34 4.295 10.147 -9.775 1.00 0.00 N ATOM 0 H ARG A 34 1.516 4.486 -7.418 1.00 0.00 H new ATOM 0 HA ARG A 34 0.423 7.005 -8.530 1.00 0.00 H new ATOM 0 HB2 ARG A 34 2.843 6.590 -9.118 1.00 0.00 H new ATOM 0 HB3 ARG A 34 2.365 5.078 -9.863 1.00 0.00 H new ATOM 0 HG2 ARG A 34 2.619 6.818 -11.561 1.00 0.00 H new ATOM 0 HG3 ARG A 34 0.949 6.291 -11.479 1.00 0.00 H new ATOM 0 HD2 ARG A 34 1.080 8.743 -11.626 1.00 0.00 H new ATOM 0 HD3 ARG A 34 0.359 8.250 -10.107 1.00 0.00 H new ATOM 0 HE ARG A 34 2.135 9.217 -8.962 1.00 0.00 H new ATOM 0 HH11 ARG A 34 3.008 8.693 -12.343 1.00 0.00 H new ATOM 0 HH12 ARG A 34 4.539 9.563 -12.203 1.00 0.00 H new ATOM 0 HH21 ARG A 34 4.104 10.334 -8.791 1.00 0.00 H new ATOM 0 HH22 ARG A 34 5.157 10.488 -10.201 1.00 0.00 H new ATOM 464 N ALA A 35 -1.076 5.752 -10.180 1.00 0.00 N ATOM 465 CA ALA A 35 -2.158 5.041 -10.850 1.00 0.00 C ATOM 466 C ALA A 35 -1.638 3.798 -11.565 1.00 0.00 C ATOM 467 O ALA A 35 -1.066 3.888 -12.651 1.00 0.00 O ATOM 468 CB ALA A 35 -2.865 5.961 -11.834 1.00 0.00 C ATOM 0 H ALA A 35 -1.000 6.738 -10.431 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.873 4.720 -10.092 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.670 5.417 -12.327 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.279 6.816 -11.300 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.153 6.310 -12.582 1.00 0.00 H new ATOM 474 N GLY A 36 -1.840 2.638 -10.948 1.00 0.00 N ATOM 475 CA GLY A 36 -1.385 1.393 -11.540 1.00 0.00 C ATOM 476 C GLY A 36 -0.103 0.886 -10.911 1.00 0.00 C ATOM 477 O GLY A 36 0.673 0.177 -11.551 1.00 0.00 O ATOM 0 H GLY A 36 -2.311 2.538 -10.049 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.163 0.637 -11.431 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.229 1.538 -12.609 1.00 0.00 H new ATOM 481 N ASP A 37 0.121 1.252 -9.653 1.00 0.00 N ATOM 482 CA ASP A 37 1.319 0.830 -8.937 1.00 0.00 C ATOM 483 C ASP A 37 1.029 -0.385 -8.061 1.00 0.00 C ATOM 484 O ASP A 37 0.422 -0.266 -6.997 1.00 0.00 O ATOM 485 CB ASP A 37 1.856 1.976 -8.078 1.00 0.00 C ATOM 486 CG ASP A 37 2.823 2.864 -8.836 1.00 0.00 C ATOM 487 OD1 ASP A 37 3.025 2.624 -10.045 1.00 0.00 O ATOM 488 OD2 ASP A 37 3.379 3.798 -8.221 1.00 0.00 O ATOM 0 H ASP A 37 -0.511 1.839 -9.109 1.00 0.00 H new ATOM 0 HA ASP A 37 2.074 0.553 -9.673 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.022 2.577 -7.717 1.00 0.00 H new ATOM 0 HB3 ASP A 37 2.356 1.565 -7.201 1.00 0.00 H new ATOM 493 N VAL A 38 1.465 -1.555 -8.517 1.00 0.00 N ATOM 494 CA VAL A 38 1.253 -2.792 -7.776 1.00 0.00 C ATOM 495 C VAL A 38 2.128 -2.843 -6.529 1.00 0.00 C ATOM 496 O VAL A 38 3.327 -3.109 -6.610 1.00 0.00 O ATOM 497 CB VAL A 38 1.548 -4.027 -8.648 1.00 0.00 C ATOM 498 CG1 VAL A 38 1.358 -5.305 -7.846 1.00 0.00 C ATOM 499 CG2 VAL A 38 0.664 -4.028 -9.886 1.00 0.00 C ATOM 0 H VAL A 38 1.968 -1.672 -9.397 1.00 0.00 H new ATOM 0 HA VAL A 38 0.204 -2.808 -7.481 1.00 0.00 H new ATOM 0 HB VAL A 38 2.588 -3.982 -8.972 1.00 0.00 H new ATOM 0 HG11 VAL A 38 1.571 -6.167 -8.479 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.037 -5.304 -6.994 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.329 -5.362 -7.490 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.886 -4.907 -10.491 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.383 -4.049 -9.585 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.855 -3.128 -10.471 1.00 0.00 H new ATOM 509 N VAL A 39 1.520 -2.588 -5.375 1.00 0.00 N ATOM 510 CA VAL A 39 2.243 -2.606 -4.109 1.00 0.00 C ATOM 511 C VAL A 39 1.844 -3.811 -3.265 1.00 0.00 C ATOM 512 O VAL A 39 0.688 -4.233 -3.275 1.00 0.00 O ATOM 513 CB VAL A 39 1.991 -1.320 -3.300 1.00 0.00 C ATOM 514 CG1 VAL A 39 0.504 -1.140 -3.034 1.00 0.00 C ATOM 515 CG2 VAL A 39 2.775 -1.349 -1.996 1.00 0.00 C ATOM 0 H VAL A 39 0.528 -2.366 -5.291 1.00 0.00 H new ATOM 0 HA VAL A 39 3.304 -2.671 -4.352 1.00 0.00 H new ATOM 0 HB VAL A 39 2.337 -0.468 -3.886 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.345 -0.226 -2.461 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.030 -1.072 -3.982 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.130 -1.993 -2.468 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.585 -0.433 -1.437 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.462 -2.208 -1.402 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.840 -1.427 -2.214 1.00 0.00 H new ATOM 525 N MET A 40 2.809 -4.361 -2.535 1.00 0.00 N ATOM 526 CA MET A 40 2.557 -5.517 -1.683 1.00 0.00 C ATOM 527 C MET A 40 2.400 -5.095 -0.225 1.00 0.00 C ATOM 528 O MET A 40 3.294 -4.477 0.352 1.00 0.00 O ATOM 529 CB MET A 40 3.696 -6.531 -1.813 1.00 0.00 C ATOM 530 CG MET A 40 3.560 -7.720 -0.876 1.00 0.00 C ATOM 531 SD MET A 40 4.194 -9.247 -1.597 1.00 0.00 S ATOM 532 CE MET A 40 2.685 -9.972 -2.236 1.00 0.00 C ATOM 0 H MET A 40 3.772 -4.025 -2.517 1.00 0.00 H new ATOM 0 HA MET A 40 1.627 -5.982 -2.010 1.00 0.00 H new ATOM 0 HB2 MET A 40 3.735 -6.891 -2.841 1.00 0.00 H new ATOM 0 HB3 MET A 40 4.643 -6.029 -1.615 1.00 0.00 H new ATOM 0 HG2 MET A 40 4.095 -7.511 0.051 1.00 0.00 H new ATOM 0 HG3 MET A 40 2.510 -7.854 -0.615 1.00 0.00 H new ATOM 0 HE1 MET A 40 2.443 -10.869 -1.666 1.00 0.00 H new ATOM 0 HE2 MET A 40 1.870 -9.254 -2.146 1.00 0.00 H new ATOM 0 HE3 MET A 40 2.823 -10.235 -3.285 1.00 0.00 H new ATOM 542 N VAL A 41 1.257 -5.432 0.364 1.00 0.00 N ATOM 543 CA VAL A 41 0.983 -5.089 1.754 1.00 0.00 C ATOM 544 C VAL A 41 1.170 -6.297 2.666 1.00 0.00 C ATOM 545 O VAL A 41 1.190 -7.438 2.205 1.00 0.00 O ATOM 546 CB VAL A 41 -0.447 -4.545 1.927 1.00 0.00 C ATOM 547 CG1 VAL A 41 -0.574 -3.167 1.297 1.00 0.00 C ATOM 548 CG2 VAL A 41 -1.459 -5.510 1.327 1.00 0.00 C ATOM 0 H VAL A 41 0.506 -5.942 -0.100 1.00 0.00 H new ATOM 0 HA VAL A 41 1.695 -4.313 2.034 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.655 -4.451 2.993 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.591 -2.799 1.429 1.00 0.00 H new ATOM 0 HG12 VAL A 41 0.125 -2.482 1.777 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.347 -3.231 0.233 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.465 -5.110 1.458 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.254 -5.637 0.264 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.384 -6.475 1.829 1.00 0.00 H new ATOM 558 N TYR A 42 1.306 -6.038 3.961 1.00 0.00 N ATOM 559 CA TYR A 42 1.492 -7.104 4.938 1.00 0.00 C ATOM 560 C TYR A 42 0.535 -6.939 6.115 1.00 0.00 C ATOM 561 O TYR A 42 0.431 -5.861 6.699 1.00 0.00 O ATOM 562 CB TYR A 42 2.937 -7.116 5.441 1.00 0.00 C ATOM 563 CG TYR A 42 3.963 -7.197 4.332 1.00 0.00 C ATOM 564 CD1 TYR A 42 4.127 -8.362 3.594 1.00 0.00 C ATOM 565 CD2 TYR A 42 4.767 -6.107 4.023 1.00 0.00 C ATOM 566 CE1 TYR A 42 5.063 -8.440 2.581 1.00 0.00 C ATOM 567 CE2 TYR A 42 5.705 -6.175 3.011 1.00 0.00 C ATOM 568 CZ TYR A 42 5.850 -7.344 2.294 1.00 0.00 C ATOM 569 OH TYR A 42 6.782 -7.418 1.285 1.00 0.00 O ATOM 0 H TYR A 42 1.291 -5.099 4.359 1.00 0.00 H new ATOM 0 HA TYR A 42 1.276 -8.053 4.447 1.00 0.00 H new ATOM 0 HB2 TYR A 42 3.117 -6.214 6.026 1.00 0.00 H new ATOM 0 HB3 TYR A 42 3.072 -7.964 6.113 1.00 0.00 H new ATOM 0 HD1 TYR A 42 3.512 -9.222 3.816 1.00 0.00 H new ATOM 0 HD2 TYR A 42 4.657 -5.191 4.584 1.00 0.00 H new ATOM 0 HE1 TYR A 42 5.178 -9.354 2.017 1.00 0.00 H new ATOM 0 HE2 TYR A 42 6.321 -5.318 2.783 1.00 0.00 H new ATOM 0 HH TYR A 42 6.879 -6.538 0.864 1.00 0.00 H new ATOM 579 N GLY A 43 -0.163 -8.017 6.457 1.00 0.00 N ATOM 580 CA GLY A 43 -1.103 -7.973 7.562 1.00 0.00 C ATOM 581 C GLY A 43 -2.201 -6.950 7.348 1.00 0.00 C ATOM 582 O GLY A 43 -2.308 -6.334 6.287 1.00 0.00 O ATOM 0 H GLY A 43 -0.095 -8.920 5.989 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.550 -8.958 7.695 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.567 -7.739 8.482 1.00 0.00 H new ATOM 586 N PRO A 44 -3.043 -6.757 8.374 1.00 0.00 N ATOM 587 CA PRO A 44 -4.155 -5.802 8.317 1.00 0.00 C ATOM 588 C PRO A 44 -3.675 -4.355 8.311 1.00 0.00 C ATOM 589 O PRO A 44 -2.481 -4.087 8.183 1.00 0.00 O ATOM 590 CB PRO A 44 -4.943 -6.099 9.595 1.00 0.00 C ATOM 591 CG PRO A 44 -3.943 -6.690 10.528 1.00 0.00 C ATOM 592 CD PRO A 44 -2.976 -7.455 9.668 1.00 0.00 C ATOM 0 HA PRO A 44 -4.741 -5.911 7.404 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -5.383 -5.192 10.009 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -5.763 -6.791 9.403 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -3.431 -5.912 11.095 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -4.425 -7.347 11.252 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -1.968 -7.436 10.083 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -3.263 -8.502 9.575 1.00 0.00 H new ATOM 600 N MET A 45 -4.615 -3.425 8.451 1.00 0.00 N ATOM 601 CA MET A 45 -4.287 -2.004 8.463 1.00 0.00 C ATOM 602 C MET A 45 -4.300 -1.455 9.886 1.00 0.00 C ATOM 603 O MET A 45 -4.530 -2.193 10.844 1.00 0.00 O ATOM 604 CB MET A 45 -5.275 -1.223 7.594 1.00 0.00 C ATOM 605 CG MET A 45 -6.710 -1.295 8.090 1.00 0.00 C ATOM 606 SD MET A 45 -7.679 -2.552 7.234 1.00 0.00 S ATOM 607 CE MET A 45 -8.162 -1.659 5.758 1.00 0.00 C ATOM 0 H MET A 45 -5.609 -3.630 8.558 1.00 0.00 H new ATOM 0 HA MET A 45 -3.283 -1.885 8.056 1.00 0.00 H new ATOM 0 HB2 MET A 45 -4.965 -0.179 7.555 1.00 0.00 H new ATOM 0 HB3 MET A 45 -5.232 -1.607 6.575 1.00 0.00 H new ATOM 0 HG2 MET A 45 -6.710 -1.507 9.159 1.00 0.00 H new ATOM 0 HG3 MET A 45 -7.185 -0.323 7.958 1.00 0.00 H new ATOM 0 HE1 MET A 45 -8.662 -2.339 5.068 1.00 0.00 H new ATOM 0 HE2 MET A 45 -8.842 -0.851 6.028 1.00 0.00 H new ATOM 0 HE3 MET A 45 -7.276 -1.243 5.278 1.00 0.00 H new ATOM 617 N ASP A 46 -4.051 -0.157 10.017 1.00 0.00 N ATOM 618 CA ASP A 46 -4.035 0.491 11.323 1.00 0.00 C ATOM 619 C ASP A 46 -5.397 1.098 11.646 1.00 0.00 C ATOM 620 O ASP A 46 -6.335 0.998 10.855 1.00 0.00 O ATOM 621 CB ASP A 46 -2.957 1.575 11.366 1.00 0.00 C ATOM 622 CG ASP A 46 -1.571 1.003 11.590 1.00 0.00 C ATOM 623 OD1 ASP A 46 -1.003 0.432 10.635 1.00 0.00 O ATOM 624 OD2 ASP A 46 -1.053 1.127 12.719 1.00 0.00 O ATOM 0 H ASP A 46 -3.857 0.468 9.234 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.808 -0.266 12.073 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.970 2.134 10.430 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -3.188 2.282 12.162 1.00 0.00 H new ATOM 629 N ASP A 47 -5.498 1.726 12.812 1.00 0.00 N ATOM 630 CA ASP A 47 -6.745 2.350 13.239 1.00 0.00 C ATOM 631 C ASP A 47 -7.184 3.423 12.247 1.00 0.00 C ATOM 632 O ASP A 47 -8.376 3.605 12.004 1.00 0.00 O ATOM 633 CB ASP A 47 -6.584 2.961 14.632 1.00 0.00 C ATOM 634 CG ASP A 47 -7.913 3.166 15.332 1.00 0.00 C ATOM 635 OD1 ASP A 47 -8.754 2.244 15.288 1.00 0.00 O ATOM 636 OD2 ASP A 47 -8.112 4.248 15.923 1.00 0.00 O ATOM 0 H ASP A 47 -4.731 1.817 13.479 1.00 0.00 H new ATOM 0 HA ASP A 47 -7.514 1.578 13.276 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.953 2.312 15.239 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.069 3.918 14.548 1.00 0.00 H new ATOM 641 N GLN A 48 -6.212 4.130 11.680 1.00 0.00 N ATOM 642 CA GLN A 48 -6.499 5.186 10.716 1.00 0.00 C ATOM 643 C GLN A 48 -6.955 4.599 9.385 1.00 0.00 C ATOM 644 O GLN A 48 -7.675 5.244 8.624 1.00 0.00 O ATOM 645 CB GLN A 48 -5.263 6.062 10.504 1.00 0.00 C ATOM 646 CG GLN A 48 -5.061 7.104 11.592 1.00 0.00 C ATOM 647 CD GLN A 48 -6.188 8.117 11.646 1.00 0.00 C ATOM 648 OE1 GLN A 48 -6.219 9.069 10.866 1.00 0.00 O ATOM 649 NE2 GLN A 48 -7.121 7.917 12.569 1.00 0.00 N ATOM 0 H GLN A 48 -5.220 3.991 11.871 1.00 0.00 H new ATOM 0 HA GLN A 48 -7.306 5.799 11.117 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.380 5.424 10.455 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -5.346 6.566 9.541 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -4.980 6.605 12.557 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -4.118 7.624 11.422 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -7.055 7.114 13.195 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -7.903 8.566 12.652 1.00 0.00 H new ATOM 658 N GLY A 49 -6.530 3.369 9.109 1.00 0.00 N ATOM 659 CA GLY A 49 -6.905 2.715 7.869 1.00 0.00 C ATOM 660 C GLY A 49 -5.775 2.698 6.858 1.00 0.00 C ATOM 661 O GLY A 49 -5.999 2.888 5.663 1.00 0.00 O ATOM 0 H GLY A 49 -5.933 2.814 9.722 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -7.214 1.692 8.081 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.766 3.226 7.438 1.00 0.00 H new ATOM 665 N PHE A 50 -4.557 2.472 7.339 1.00 0.00 N ATOM 666 CA PHE A 50 -3.387 2.434 6.470 1.00 0.00 C ATOM 667 C PHE A 50 -2.732 1.056 6.499 1.00 0.00 C ATOM 668 O PHE A 50 -2.618 0.433 7.556 1.00 0.00 O ATOM 669 CB PHE A 50 -2.375 3.501 6.893 1.00 0.00 C ATOM 670 CG PHE A 50 -2.714 4.878 6.398 1.00 0.00 C ATOM 671 CD1 PHE A 50 -3.614 5.674 7.088 1.00 0.00 C ATOM 672 CD2 PHE A 50 -2.131 5.377 5.244 1.00 0.00 C ATOM 673 CE1 PHE A 50 -3.928 6.941 6.634 1.00 0.00 C ATOM 674 CE2 PHE A 50 -2.441 6.643 4.786 1.00 0.00 C ATOM 675 CZ PHE A 50 -3.340 7.427 5.483 1.00 0.00 C ATOM 0 H PHE A 50 -4.355 2.312 8.326 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.716 2.639 5.451 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.312 3.520 7.981 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.389 3.223 6.522 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -4.075 5.300 7.990 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.426 4.769 4.696 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -4.633 7.551 7.179 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.981 7.019 3.884 1.00 0.00 H new ATOM 0 HZ PHE A 50 -3.582 8.418 5.128 1.00 0.00 H new ATOM 685 N TYR A 51 -2.305 0.585 5.333 1.00 0.00 N ATOM 686 CA TYR A 51 -1.665 -0.720 5.223 1.00 0.00 C ATOM 687 C TYR A 51 -0.145 -0.586 5.261 1.00 0.00 C ATOM 688 O TYR A 51 0.399 0.500 5.060 1.00 0.00 O ATOM 689 CB TYR A 51 -2.095 -1.416 3.931 1.00 0.00 C ATOM 690 CG TYR A 51 -3.417 -2.142 4.045 1.00 0.00 C ATOM 691 CD1 TYR A 51 -3.616 -3.114 5.017 1.00 0.00 C ATOM 692 CD2 TYR A 51 -4.466 -1.854 3.181 1.00 0.00 C ATOM 693 CE1 TYR A 51 -4.822 -3.780 5.124 1.00 0.00 C ATOM 694 CE2 TYR A 51 -5.676 -2.513 3.282 1.00 0.00 C ATOM 695 CZ TYR A 51 -5.849 -3.476 4.255 1.00 0.00 C ATOM 696 OH TYR A 51 -7.052 -4.136 4.359 1.00 0.00 O ATOM 0 H TYR A 51 -2.391 1.088 4.450 1.00 0.00 H new ATOM 0 HA TYR A 51 -1.980 -1.324 6.074 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.165 -0.675 3.135 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.323 -2.128 3.637 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -2.815 -3.353 5.701 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -4.333 -1.102 2.417 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -4.960 -4.535 5.884 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -6.482 -2.276 2.603 1.00 0.00 H new ATOM 0 HH TYR A 51 -7.280 -4.253 5.305 1.00 0.00 H new ATOM 706 N TYR A 52 0.533 -1.699 5.518 1.00 0.00 N ATOM 707 CA TYR A 52 1.990 -1.707 5.584 1.00 0.00 C ATOM 708 C TYR A 52 2.585 -2.440 4.385 1.00 0.00 C ATOM 709 O TYR A 52 2.643 -3.669 4.361 1.00 0.00 O ATOM 710 CB TYR A 52 2.459 -2.365 6.883 1.00 0.00 C ATOM 711 CG TYR A 52 3.955 -2.296 7.090 1.00 0.00 C ATOM 712 CD1 TYR A 52 4.605 -1.073 7.200 1.00 0.00 C ATOM 713 CD2 TYR A 52 4.719 -3.453 7.177 1.00 0.00 C ATOM 714 CE1 TYR A 52 5.972 -1.004 7.389 1.00 0.00 C ATOM 715 CE2 TYR A 52 6.086 -3.395 7.367 1.00 0.00 C ATOM 716 CZ TYR A 52 6.708 -2.168 7.473 1.00 0.00 C ATOM 717 OH TYR A 52 8.069 -2.105 7.661 1.00 0.00 O ATOM 0 H TYR A 52 0.098 -2.606 5.684 1.00 0.00 H new ATOM 0 HA TYR A 52 2.335 -0.673 5.563 1.00 0.00 H new ATOM 0 HB2 TYR A 52 1.961 -1.883 7.725 1.00 0.00 H new ATOM 0 HB3 TYR A 52 2.148 -3.410 6.884 1.00 0.00 H new ATOM 0 HD1 TYR A 52 4.032 -0.160 7.137 1.00 0.00 H new ATOM 0 HD2 TYR A 52 4.235 -4.415 7.095 1.00 0.00 H new ATOM 0 HE1 TYR A 52 6.461 -0.045 7.470 1.00 0.00 H new ATOM 0 HE2 TYR A 52 6.664 -4.305 7.432 1.00 0.00 H new ATOM 0 HH TYR A 52 8.436 -3.013 7.699 1.00 0.00 H new ATOM 727 N GLY A 53 3.027 -1.675 3.392 1.00 0.00 N ATOM 728 CA GLY A 53 3.613 -2.267 2.203 1.00 0.00 C ATOM 729 C GLY A 53 4.807 -1.485 1.694 1.00 0.00 C ATOM 730 O GLY A 53 5.302 -0.585 2.371 1.00 0.00 O ATOM 0 H GLY A 53 2.990 -0.656 3.389 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.920 -3.290 2.423 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.858 -2.323 1.419 1.00 0.00 H new ATOM 734 N GLU A 54 5.270 -1.829 0.496 1.00 0.00 N ATOM 735 CA GLU A 54 6.416 -1.152 -0.102 1.00 0.00 C ATOM 736 C GLU A 54 6.287 -1.105 -1.622 1.00 0.00 C ATOM 737 O GLU A 54 5.862 -2.075 -2.251 1.00 0.00 O ATOM 738 CB GLU A 54 7.715 -1.860 0.289 1.00 0.00 C ATOM 739 CG GLU A 54 7.993 -3.114 -0.523 1.00 0.00 C ATOM 740 CD GLU A 54 6.880 -4.138 -0.414 1.00 0.00 C ATOM 741 OE1 GLU A 54 6.369 -4.340 0.707 1.00 0.00 O ATOM 742 OE2 GLU A 54 6.522 -4.738 -1.449 1.00 0.00 O ATOM 0 H GLU A 54 4.870 -2.571 -0.079 1.00 0.00 H new ATOM 0 HA GLU A 54 6.440 -0.130 0.275 1.00 0.00 H new ATOM 0 HB2 GLU A 54 8.547 -1.167 0.168 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.671 -2.124 1.346 1.00 0.00 H new ATOM 0 HG2 GLU A 54 8.130 -2.842 -1.570 1.00 0.00 H new ATOM 0 HG3 GLU A 54 8.928 -3.561 -0.185 1.00 0.00 H new ATOM 749 N LEU A 55 6.655 0.030 -2.206 1.00 0.00 N ATOM 750 CA LEU A 55 6.580 0.206 -3.652 1.00 0.00 C ATOM 751 C LEU A 55 7.814 0.934 -4.176 1.00 0.00 C ATOM 752 O LEU A 55 7.952 2.144 -4.006 1.00 0.00 O ATOM 753 CB LEU A 55 5.318 0.983 -4.027 1.00 0.00 C ATOM 754 CG LEU A 55 5.145 1.308 -5.511 1.00 0.00 C ATOM 755 CD1 LEU A 55 4.346 0.217 -6.207 1.00 0.00 C ATOM 756 CD2 LEU A 55 4.469 2.660 -5.686 1.00 0.00 C ATOM 0 H LEU A 55 7.008 0.842 -1.700 1.00 0.00 H new ATOM 0 HA LEU A 55 6.540 -0.782 -4.112 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.451 0.410 -3.698 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.312 1.919 -3.468 1.00 0.00 H new ATOM 0 HG LEU A 55 6.133 1.356 -5.970 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.233 0.466 -7.262 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.870 -0.734 -6.112 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.362 0.137 -5.746 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.354 2.875 -6.748 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.488 2.640 -5.212 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.080 3.435 -5.223 1.00 0.00 H new ATOM 768 N GLY A 56 8.708 0.187 -4.818 1.00 0.00 N ATOM 769 CA GLY A 56 9.917 0.779 -5.359 1.00 0.00 C ATOM 770 C GLY A 56 11.101 0.636 -4.424 1.00 0.00 C ATOM 771 O GLY A 56 12.075 1.382 -4.525 1.00 0.00 O ATOM 0 H GLY A 56 8.616 -0.817 -4.973 1.00 0.00 H new ATOM 0 HA2 GLY A 56 10.153 0.308 -6.313 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.742 1.836 -5.560 1.00 0.00 H new ATOM 775 N GLY A 57 11.018 -0.324 -3.508 1.00 0.00 N ATOM 776 CA GLY A 57 12.097 -0.542 -2.562 1.00 0.00 C ATOM 777 C GLY A 57 11.998 0.362 -1.350 1.00 0.00 C ATOM 778 O GLY A 57 12.982 0.569 -0.638 1.00 0.00 O ATOM 0 H GLY A 57 10.223 -0.955 -3.404 1.00 0.00 H new ATOM 0 HA2 GLY A 57 12.086 -1.582 -2.237 1.00 0.00 H new ATOM 0 HA3 GLY A 57 13.052 -0.373 -3.060 1.00 0.00 H new ATOM 782 N HIS A 58 10.808 0.905 -1.114 1.00 0.00 N ATOM 783 CA HIS A 58 10.585 1.794 0.021 1.00 0.00 C ATOM 784 C HIS A 58 9.360 1.358 0.820 1.00 0.00 C ATOM 785 O HIS A 58 8.257 1.266 0.282 1.00 0.00 O ATOM 786 CB HIS A 58 10.407 3.234 -0.460 1.00 0.00 C ATOM 787 CG HIS A 58 11.637 3.811 -1.091 1.00 0.00 C ATOM 788 ND1 HIS A 58 12.728 4.237 -0.362 1.00 0.00 N ATOM 789 CD2 HIS A 58 11.947 4.030 -2.390 1.00 0.00 C ATOM 790 CE1 HIS A 58 13.654 4.694 -1.186 1.00 0.00 C ATOM 791 NE2 HIS A 58 13.205 4.579 -2.423 1.00 0.00 N ATOM 0 H HIS A 58 9.984 0.745 -1.693 1.00 0.00 H new ATOM 0 HA HIS A 58 11.459 1.740 0.670 1.00 0.00 H new ATOM 0 HB2 HIS A 58 9.589 3.270 -1.179 1.00 0.00 H new ATOM 0 HB3 HIS A 58 10.116 3.857 0.385 1.00 0.00 H new ATOM 0 HD2 HIS A 58 11.321 3.813 -3.243 1.00 0.00 H new ATOM 0 HE1 HIS A 58 14.615 5.094 -0.897 1.00 0.00 H new ATOM 0 HE2 HIS A 58 13.711 4.853 -3.265 1.00 0.00 H new ATOM 799 N ARG A 59 9.564 1.089 2.105 1.00 0.00 N ATOM 800 CA ARG A 59 8.477 0.660 2.978 1.00 0.00 C ATOM 801 C ARG A 59 7.799 1.861 3.631 1.00 0.00 C ATOM 802 O ARG A 59 8.405 2.920 3.788 1.00 0.00 O ATOM 803 CB ARG A 59 9.003 -0.290 4.054 1.00 0.00 C ATOM 804 CG ARG A 59 9.300 -1.689 3.539 1.00 0.00 C ATOM 805 CD ARG A 59 10.238 -2.439 4.472 1.00 0.00 C ATOM 806 NE ARG A 59 10.722 -3.682 3.878 1.00 0.00 N ATOM 807 CZ ARG A 59 11.324 -4.642 4.571 1.00 0.00 C ATOM 808 NH1 ARG A 59 11.515 -4.503 5.876 1.00 0.00 N ATOM 809 NH2 ARG A 59 11.737 -5.745 3.959 1.00 0.00 N ATOM 0 H ARG A 59 10.472 1.160 2.565 1.00 0.00 H new ATOM 0 HA ARG A 59 7.741 0.135 2.369 1.00 0.00 H new ATOM 0 HB2 ARG A 59 9.912 0.130 4.485 1.00 0.00 H new ATOM 0 HB3 ARG A 59 8.270 -0.356 4.858 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.368 -2.245 3.434 1.00 0.00 H new ATOM 0 HG3 ARG A 59 9.746 -1.625 2.547 1.00 0.00 H new ATOM 0 HD2 ARG A 59 11.087 -1.802 4.722 1.00 0.00 H new ATOM 0 HD3 ARG A 59 9.720 -2.661 5.405 1.00 0.00 H new ATOM 0 HE ARG A 59 10.591 -3.821 2.876 1.00 0.00 H new ATOM 0 HH11 ARG A 59 11.199 -3.657 6.350 1.00 0.00 H new ATOM 0 HH12 ARG A 59 11.978 -5.242 6.405 1.00 0.00 H new ATOM 0 HH21 ARG A 59 11.592 -5.856 2.955 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.199 -6.482 4.492 1.00 0.00 H new ATOM 823 N GLY A 60 6.536 1.687 4.011 1.00 0.00 N ATOM 824 CA GLY A 60 5.797 2.764 4.642 1.00 0.00 C ATOM 825 C GLY A 60 4.304 2.500 4.677 1.00 0.00 C ATOM 826 O GLY A 60 3.829 1.508 4.123 1.00 0.00 O ATOM 0 H GLY A 60 6.012 0.820 3.893 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.162 2.904 5.659 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.986 3.694 4.105 1.00 0.00 H new ATOM 830 N LEU A 61 3.563 3.388 5.330 1.00 0.00 N ATOM 831 CA LEU A 61 2.115 3.245 5.436 1.00 0.00 C ATOM 832 C LEU A 61 1.426 3.722 4.162 1.00 0.00 C ATOM 833 O LEU A 61 1.685 4.824 3.678 1.00 0.00 O ATOM 834 CB LEU A 61 1.592 4.035 6.638 1.00 0.00 C ATOM 835 CG LEU A 61 1.765 3.370 8.004 1.00 0.00 C ATOM 836 CD1 LEU A 61 1.331 4.314 9.115 1.00 0.00 C ATOM 837 CD2 LEU A 61 0.977 2.070 8.068 1.00 0.00 C ATOM 0 H LEU A 61 3.940 4.214 5.794 1.00 0.00 H new ATOM 0 HA LEU A 61 1.888 2.188 5.576 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.096 5.001 6.660 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.531 4.233 6.484 1.00 0.00 H new ATOM 0 HG LEU A 61 2.821 3.138 8.143 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.461 3.824 10.080 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.939 5.218 9.082 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.282 4.577 8.980 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.112 1.611 9.047 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.081 2.277 7.907 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.335 1.389 7.296 1.00 0.00 H new ATOM 849 N VAL A 62 0.545 2.884 3.623 1.00 0.00 N ATOM 850 CA VAL A 62 -0.184 3.221 2.406 1.00 0.00 C ATOM 851 C VAL A 62 -1.682 3.316 2.672 1.00 0.00 C ATOM 852 O VAL A 62 -2.208 2.730 3.619 1.00 0.00 O ATOM 853 CB VAL A 62 0.064 2.181 1.297 1.00 0.00 C ATOM 854 CG1 VAL A 62 1.422 2.406 0.649 1.00 0.00 C ATOM 855 CG2 VAL A 62 -0.042 0.770 1.857 1.00 0.00 C ATOM 0 H VAL A 62 0.319 1.968 4.010 1.00 0.00 H new ATOM 0 HA VAL A 62 0.186 4.191 2.074 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.702 2.302 0.531 1.00 0.00 H new ATOM 0 HG11 VAL A 62 1.580 1.662 -0.132 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.456 3.404 0.212 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.204 2.313 1.402 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.136 0.048 1.060 1.00 0.00 H new ATOM 0 HG22 VAL A 62 0.701 0.634 2.643 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.039 0.616 2.270 1.00 0.00 H new ATOM 865 N PRO A 63 -2.388 4.071 1.817 1.00 0.00 N ATOM 866 CA PRO A 63 -3.837 4.261 1.939 1.00 0.00 C ATOM 867 C PRO A 63 -4.616 2.991 1.614 1.00 0.00 C ATOM 868 O PRO A 63 -4.422 2.385 0.561 1.00 0.00 O ATOM 869 CB PRO A 63 -4.139 5.352 0.909 1.00 0.00 C ATOM 870 CG PRO A 63 -3.045 5.238 -0.096 1.00 0.00 C ATOM 871 CD PRO A 63 -1.826 4.798 0.667 1.00 0.00 C ATOM 0 HA PRO A 63 -4.131 4.523 2.956 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -5.116 5.203 0.449 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -4.151 6.339 1.370 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.301 4.516 -0.872 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -2.871 6.192 -0.593 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -1.183 4.158 0.063 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -1.222 5.648 0.985 1.00 0.00 H new ATOM 879 N ALA A 64 -5.499 2.595 2.525 1.00 0.00 N ATOM 880 CA ALA A 64 -6.310 1.399 2.334 1.00 0.00 C ATOM 881 C ALA A 64 -7.614 1.728 1.616 1.00 0.00 C ATOM 882 O ALA A 64 -8.517 0.896 1.534 1.00 0.00 O ATOM 883 CB ALA A 64 -6.596 0.735 3.673 1.00 0.00 C ATOM 0 H ALA A 64 -5.671 3.085 3.403 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.747 0.705 1.710 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -7.203 -0.157 3.515 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.656 0.455 4.148 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.135 1.431 4.316 1.00 0.00 H new ATOM 889 N HIS A 65 -7.706 2.948 1.096 1.00 0.00 N ATOM 890 CA HIS A 65 -8.900 3.388 0.384 1.00 0.00 C ATOM 891 C HIS A 65 -8.580 3.696 -1.076 1.00 0.00 C ATOM 892 O HIS A 65 -9.449 3.609 -1.944 1.00 0.00 O ATOM 893 CB HIS A 65 -9.496 4.624 1.059 1.00 0.00 C ATOM 894 CG HIS A 65 -8.531 5.762 1.183 1.00 0.00 C ATOM 895 ND1 HIS A 65 -7.518 5.792 2.118 1.00 0.00 N ATOM 896 CD2 HIS A 65 -8.428 6.916 0.482 1.00 0.00 C ATOM 897 CE1 HIS A 65 -6.834 6.914 1.988 1.00 0.00 C ATOM 898 NE2 HIS A 65 -7.365 7.614 1.002 1.00 0.00 N ATOM 0 H HIS A 65 -6.968 3.649 1.155 1.00 0.00 H new ATOM 0 HA HIS A 65 -9.630 2.579 0.415 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -10.365 4.955 0.490 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -9.851 4.350 2.052 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -9.063 7.229 -0.334 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -5.985 7.209 2.586 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -7.039 8.525 0.679 1.00 0.00 H new ATOM 906 N LEU A 66 -7.329 4.055 -1.339 1.00 0.00 N ATOM 907 CA LEU A 66 -6.894 4.377 -2.694 1.00 0.00 C ATOM 908 C LEU A 66 -6.528 3.111 -3.463 1.00 0.00 C ATOM 909 O LEU A 66 -6.622 3.069 -4.690 1.00 0.00 O ATOM 910 CB LEU A 66 -5.696 5.328 -2.654 1.00 0.00 C ATOM 911 CG LEU A 66 -5.945 6.694 -2.014 1.00 0.00 C ATOM 912 CD1 LEU A 66 -4.653 7.492 -1.940 1.00 0.00 C ATOM 913 CD2 LEU A 66 -7.005 7.462 -2.791 1.00 0.00 C ATOM 0 H LEU A 66 -6.597 4.131 -0.632 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.721 4.866 -3.208 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.886 4.838 -2.113 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.348 5.485 -3.675 1.00 0.00 H new ATOM 0 HG LEU A 66 -6.310 6.537 -0.999 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.850 8.461 -1.482 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.923 6.948 -1.340 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -4.258 7.639 -2.945 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -7.169 8.432 -2.321 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.669 7.608 -3.818 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -7.937 6.897 -2.791 1.00 0.00 H new ATOM 925 N LEU A 67 -6.111 2.082 -2.734 1.00 0.00 N ATOM 926 CA LEU A 67 -5.732 0.814 -3.347 1.00 0.00 C ATOM 927 C LEU A 67 -6.956 0.090 -3.901 1.00 0.00 C ATOM 928 O LEU A 67 -8.093 0.454 -3.600 1.00 0.00 O ATOM 929 CB LEU A 67 -5.019 -0.075 -2.327 1.00 0.00 C ATOM 930 CG LEU A 67 -3.604 0.353 -1.937 1.00 0.00 C ATOM 931 CD1 LEU A 67 -3.005 -0.626 -0.939 1.00 0.00 C ATOM 932 CD2 LEU A 67 -2.721 0.465 -3.172 1.00 0.00 C ATOM 0 H LEU A 67 -6.027 2.101 -1.718 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.053 1.026 -4.173 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.627 -0.116 -1.423 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.973 -1.088 -2.727 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.660 1.333 -1.464 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.998 -0.304 -0.674 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.624 -0.656 -0.043 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.963 -1.620 -1.385 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.718 0.771 -2.875 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.673 -0.502 -3.674 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.140 1.206 -3.853 1.00 0.00 H new ATOM 944 N ASP A 68 -6.714 -0.936 -4.709 1.00 0.00 N ATOM 945 CA ASP A 68 -7.795 -1.713 -5.303 1.00 0.00 C ATOM 946 C ASP A 68 -7.492 -3.207 -5.236 1.00 0.00 C ATOM 947 O ASP A 68 -6.371 -3.636 -5.513 1.00 0.00 O ATOM 948 CB ASP A 68 -8.018 -1.290 -6.755 1.00 0.00 C ATOM 949 CG ASP A 68 -9.404 -1.646 -7.256 1.00 0.00 C ATOM 950 OD1 ASP A 68 -10.346 -0.868 -6.997 1.00 0.00 O ATOM 951 OD2 ASP A 68 -9.547 -2.702 -7.906 1.00 0.00 O ATOM 0 H ASP A 68 -5.778 -1.249 -4.968 1.00 0.00 H new ATOM 0 HA ASP A 68 -8.704 -1.519 -4.733 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -7.868 -0.214 -6.844 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -7.272 -1.769 -7.389 1.00 0.00 H new ATOM 956 N HIS A 69 -8.497 -3.994 -4.865 1.00 0.00 N ATOM 957 CA HIS A 69 -8.337 -5.440 -4.761 1.00 0.00 C ATOM 958 C HIS A 69 -8.400 -6.094 -6.138 1.00 0.00 C ATOM 959 O HIS A 69 -9.477 -6.245 -6.714 1.00 0.00 O ATOM 960 CB HIS A 69 -9.417 -6.029 -3.853 1.00 0.00 C ATOM 961 CG HIS A 69 -9.427 -5.443 -2.475 1.00 0.00 C ATOM 962 ND1 HIS A 69 -9.833 -4.152 -2.210 1.00 0.00 N ATOM 963 CD2 HIS A 69 -9.079 -5.979 -1.282 1.00 0.00 C ATOM 964 CE1 HIS A 69 -9.733 -3.919 -0.913 1.00 0.00 C ATOM 965 NE2 HIS A 69 -9.278 -5.012 -0.328 1.00 0.00 N ATOM 0 H HIS A 69 -9.430 -3.655 -4.632 1.00 0.00 H new ATOM 0 HA HIS A 69 -7.358 -5.643 -4.327 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -10.392 -5.871 -4.313 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -9.270 -7.107 -3.779 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -8.713 -6.981 -1.112 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -9.981 -2.993 -0.416 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -9.103 -5.120 0.671 1.00 0.00 H new ATOM 973 N MET A 70 -7.240 -6.478 -6.659 1.00 0.00 N ATOM 974 CA MET A 70 -7.164 -7.116 -7.968 1.00 0.00 C ATOM 975 C MET A 70 -8.086 -8.330 -8.035 1.00 0.00 C ATOM 976 O MET A 70 -8.770 -8.547 -9.035 1.00 0.00 O ATOM 977 CB MET A 70 -5.725 -7.536 -8.272 1.00 0.00 C ATOM 978 CG MET A 70 -4.922 -6.471 -9.000 1.00 0.00 C ATOM 979 SD MET A 70 -3.513 -7.153 -9.894 1.00 0.00 S ATOM 980 CE MET A 70 -2.174 -6.751 -8.774 1.00 0.00 C ATOM 0 H MET A 70 -6.340 -6.359 -6.195 1.00 0.00 H new ATOM 0 HA MET A 70 -7.489 -6.393 -8.716 1.00 0.00 H new ATOM 0 HB2 MET A 70 -5.222 -7.783 -7.337 1.00 0.00 H new ATOM 0 HB3 MET A 70 -5.740 -8.444 -8.875 1.00 0.00 H new ATOM 0 HG2 MET A 70 -5.572 -5.947 -9.700 1.00 0.00 H new ATOM 0 HG3 MET A 70 -4.568 -5.733 -8.280 1.00 0.00 H new ATOM 0 HE1 MET A 70 -1.402 -6.201 -9.312 1.00 0.00 H new ATOM 0 HE2 MET A 70 -2.555 -6.138 -7.957 1.00 0.00 H new ATOM 0 HE3 MET A 70 -1.749 -7.670 -8.370 1.00 0.00 H new