USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 560 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 Single : A 9 LYS NZ :NH3+ 151:sc= -0.78 (180deg=-2.42!) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.372 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.0933 X(o=-0.093,f=-0.093) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 28 THR OG1 : rot 73:sc= 0.00454 USER MOD Single : A 30 HIS : no HD1:sc= -1.51 K(o=-1.5,f=-0.26) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -177:sc= 0.321 (180deg=0.268) USER MOD Single : A 41 MET CE :methyl -161:sc= -1.2 (180deg=-2.53!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.0407 K(o=-0.041,f=-0.71) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -0.0145 X(o=-0.015,f=-0.27) USER MOD Single : A 67 GLN : amide:sc= -0.472 X(o=-0.47,f=-0.045) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0136) USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 -4.254 -12.631 -0.267 1.00 0.00 N ATOM 67 CA PRO A 8 -4.246 -11.740 -1.432 1.00 0.00 C ATOM 68 C PRO A 8 -3.320 -10.544 -1.240 1.00 0.00 C ATOM 69 O PRO A 8 -3.403 -9.835 -0.237 1.00 0.00 O ATOM 70 CB PRO A 8 -5.702 -11.280 -1.535 1.00 0.00 C ATOM 71 CG PRO A 8 -6.239 -11.405 -0.151 1.00 0.00 C ATOM 72 CD PRO A 8 -5.533 -12.583 0.461 1.00 0.00 C ATOM 0 HA PRO A 8 -3.879 -12.241 -2.328 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -5.768 -10.253 -1.894 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -6.264 -11.899 -2.235 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -6.054 -10.497 0.423 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -7.318 -11.560 -0.163 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.381 -12.448 1.532 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.103 -13.503 0.333 1.00 0.00 H new ATOM 80 N LYS A 9 -2.438 -10.323 -2.209 1.00 0.00 N ATOM 81 CA LYS A 9 -1.497 -9.211 -2.149 1.00 0.00 C ATOM 82 C LYS A 9 -2.232 -7.886 -1.969 1.00 0.00 C ATOM 83 O LYS A 9 -2.775 -7.333 -2.925 1.00 0.00 O ATOM 84 CB LYS A 9 -0.646 -9.166 -3.420 1.00 0.00 C ATOM 85 CG LYS A 9 0.697 -8.483 -3.228 1.00 0.00 C ATOM 86 CD LYS A 9 1.191 -7.854 -4.520 1.00 0.00 C ATOM 87 CE LYS A 9 1.878 -8.876 -5.412 1.00 0.00 C ATOM 88 NZ LYS A 9 0.941 -9.948 -5.852 1.00 0.00 N ATOM 0 H LYS A 9 -2.355 -10.900 -3.046 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.845 -9.365 -1.289 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.480 -10.184 -3.772 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.201 -8.645 -4.201 1.00 0.00 H new ATOM 0 HG2 LYS A 9 0.610 -7.716 -2.459 1.00 0.00 H new ATOM 0 HG3 LYS A 9 1.428 -9.209 -2.873 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.351 -7.410 -5.054 1.00 0.00 H new ATOM 0 HD3 LYS A 9 1.885 -7.046 -4.290 1.00 0.00 H new ATOM 0 HE2 LYS A 9 2.292 -8.374 -6.287 1.00 0.00 H new ATOM 0 HE3 LYS A 9 2.715 -9.323 -4.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 1.242 -10.314 -6.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 0.946 -10.721 -5.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -0.020 -9.559 -5.930 1.00 0.00 H new ATOM 102 N ALA A 10 -2.243 -7.383 -0.739 1.00 0.00 N ATOM 103 CA ALA A 10 -2.908 -6.121 -0.437 1.00 0.00 C ATOM 104 C ALA A 10 -2.587 -5.065 -1.488 1.00 0.00 C ATOM 105 O ALA A 10 -1.426 -4.801 -1.803 1.00 0.00 O ATOM 106 CB ALA A 10 -2.504 -5.631 0.946 1.00 0.00 C ATOM 0 H ALA A 10 -1.800 -7.829 0.064 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.984 -6.293 -0.451 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.007 -4.688 1.159 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.790 -6.372 1.692 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -1.425 -5.482 0.978 1.00 0.00 H new ATOM 112 N PRO A 11 -3.637 -4.446 -2.046 1.00 0.00 N ATOM 113 CA PRO A 11 -3.491 -3.409 -3.072 1.00 0.00 C ATOM 114 C PRO A 11 -2.904 -2.118 -2.511 1.00 0.00 C ATOM 115 O PRO A 11 -2.540 -2.048 -1.337 1.00 0.00 O ATOM 116 CB PRO A 11 -4.927 -3.179 -3.550 1.00 0.00 C ATOM 117 CG PRO A 11 -5.780 -3.586 -2.399 1.00 0.00 C ATOM 118 CD PRO A 11 -5.048 -4.711 -1.719 1.00 0.00 C ATOM 0 HA PRO A 11 -2.807 -3.712 -3.864 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -5.093 -2.135 -3.816 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -5.149 -3.773 -4.437 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -5.936 -2.752 -1.715 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -6.764 -3.909 -2.738 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -5.218 -4.709 -0.642 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -5.371 -5.683 -2.091 1.00 0.00 H new ATOM 126 N VAL A 12 -2.814 -1.097 -3.358 1.00 0.00 N ATOM 127 CA VAL A 12 -2.272 0.192 -2.946 1.00 0.00 C ATOM 128 C VAL A 12 -3.369 1.249 -2.865 1.00 0.00 C ATOM 129 O VAL A 12 -4.496 1.026 -3.308 1.00 0.00 O ATOM 130 CB VAL A 12 -1.179 0.677 -3.917 1.00 0.00 C ATOM 131 CG1 VAL A 12 -0.062 -0.352 -4.021 1.00 0.00 C ATOM 132 CG2 VAL A 12 -1.774 0.969 -5.287 1.00 0.00 C ATOM 0 H VAL A 12 -3.110 -1.138 -4.333 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.834 0.050 -1.958 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.755 1.602 -3.526 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.701 0.008 -4.711 1.00 0.00 H new ATOM 0 HG12 VAL A 12 0.382 -0.507 -3.038 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.468 -1.294 -4.388 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.988 1.310 -5.960 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.226 0.062 -5.688 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.535 1.744 -5.196 1.00 0.00 H new ATOM 142 N THR A 13 -3.030 2.401 -2.296 1.00 0.00 N ATOM 143 CA THR A 13 -3.986 3.493 -2.155 1.00 0.00 C ATOM 144 C THR A 13 -3.693 4.612 -3.149 1.00 0.00 C ATOM 145 O THR A 13 -2.538 4.880 -3.474 1.00 0.00 O ATOM 146 CB THR A 13 -3.970 4.073 -0.728 1.00 0.00 C ATOM 147 OG1 THR A 13 -2.677 4.613 -0.433 1.00 0.00 O ATOM 148 CG2 THR A 13 -4.323 3.003 0.294 1.00 0.00 C ATOM 0 H THR A 13 -2.101 2.602 -1.925 1.00 0.00 H new ATOM 0 HA THR A 13 -4.973 3.078 -2.360 1.00 0.00 H new ATOM 0 HB THR A 13 -4.716 4.866 -0.673 1.00 0.00 H new ATOM 0 HG1 THR A 13 -2.676 4.981 0.475 1.00 0.00 H new ATOM 0 HG21 THR A 13 -4.305 3.435 1.294 1.00 0.00 H new ATOM 0 HG22 THR A 13 -5.319 2.614 0.084 1.00 0.00 H new ATOM 0 HG23 THR A 13 -3.597 2.192 0.237 1.00 0.00 H new ATOM 156 N GLY A 14 -4.749 5.263 -3.628 1.00 0.00 N ATOM 157 CA GLY A 14 -4.583 6.346 -4.580 1.00 0.00 C ATOM 158 C GLY A 14 -3.349 7.181 -4.299 1.00 0.00 C ATOM 159 O GLY A 14 -2.717 7.696 -5.221 1.00 0.00 O ATOM 0 H GLY A 14 -5.716 5.060 -3.374 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.517 5.934 -5.587 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.465 6.986 -4.555 1.00 0.00 H new ATOM 163 N TYR A 15 -3.007 7.317 -3.022 1.00 0.00 N ATOM 164 CA TYR A 15 -1.844 8.099 -2.622 1.00 0.00 C ATOM 165 C TYR A 15 -0.551 7.373 -2.980 1.00 0.00 C ATOM 166 O TYR A 15 0.401 7.983 -3.470 1.00 0.00 O ATOM 167 CB TYR A 15 -1.886 8.380 -1.119 1.00 0.00 C ATOM 168 CG TYR A 15 -0.581 8.909 -0.566 1.00 0.00 C ATOM 169 CD1 TYR A 15 -0.034 10.096 -1.037 1.00 0.00 C ATOM 170 CD2 TYR A 15 0.104 8.221 0.428 1.00 0.00 C ATOM 171 CE1 TYR A 15 1.158 10.581 -0.535 1.00 0.00 C ATOM 172 CE2 TYR A 15 1.295 8.700 0.937 1.00 0.00 C ATOM 173 CZ TYR A 15 1.819 9.880 0.452 1.00 0.00 C ATOM 174 OH TYR A 15 3.006 10.362 0.956 1.00 0.00 O ATOM 0 H TYR A 15 -3.519 6.896 -2.247 1.00 0.00 H new ATOM 0 HA TYR A 15 -1.869 9.045 -3.163 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -2.677 9.102 -0.915 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -2.148 7.462 -0.593 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -0.549 10.649 -1.809 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.302 7.296 0.809 1.00 0.00 H new ATOM 0 HE1 TYR A 15 1.570 11.505 -0.914 1.00 0.00 H new ATOM 0 HE2 TYR A 15 1.813 8.153 1.711 1.00 0.00 H new ATOM 0 HH TYR A 15 3.341 9.751 1.645 1.00 0.00 H new ATOM 184 N VAL A 16 -0.524 6.068 -2.732 1.00 0.00 N ATOM 185 CA VAL A 16 0.652 5.258 -3.029 1.00 0.00 C ATOM 186 C VAL A 16 0.870 5.137 -4.533 1.00 0.00 C ATOM 187 O VAL A 16 1.832 5.682 -5.076 1.00 0.00 O ATOM 188 CB VAL A 16 0.527 3.846 -2.425 1.00 0.00 C ATOM 189 CG1 VAL A 16 1.649 2.951 -2.926 1.00 0.00 C ATOM 190 CG2 VAL A 16 0.526 3.916 -0.906 1.00 0.00 C ATOM 0 H VAL A 16 -1.303 5.549 -2.326 1.00 0.00 H new ATOM 0 HA VAL A 16 1.507 5.764 -2.580 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.421 3.413 -2.746 1.00 0.00 H new ATOM 0 HG11 VAL A 16 1.545 1.958 -2.489 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.598 2.877 -4.012 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.610 3.376 -2.636 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.437 2.910 -0.495 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.457 4.367 -0.562 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -0.316 4.521 -0.570 1.00 0.00 H new ATOM 200 N ARG A 17 -0.029 4.422 -5.201 1.00 0.00 N ATOM 201 CA ARG A 17 0.067 4.230 -6.643 1.00 0.00 C ATOM 202 C ARG A 17 0.480 5.523 -7.339 1.00 0.00 C ATOM 203 O ARG A 17 1.084 5.499 -8.411 1.00 0.00 O ATOM 204 CB ARG A 17 -1.270 3.742 -7.203 1.00 0.00 C ATOM 205 CG ARG A 17 -2.465 4.545 -6.715 1.00 0.00 C ATOM 206 CD ARG A 17 -3.765 4.033 -7.316 1.00 0.00 C ATOM 207 NE ARG A 17 -3.567 3.475 -8.651 1.00 0.00 N ATOM 208 CZ ARG A 17 -3.529 4.210 -9.757 1.00 0.00 C ATOM 209 NH1 ARG A 17 -3.674 5.526 -9.688 1.00 0.00 N ATOM 210 NH2 ARG A 17 -3.345 3.628 -10.936 1.00 0.00 N ATOM 0 H ARG A 17 -0.832 3.966 -4.767 1.00 0.00 H new ATOM 0 HA ARG A 17 0.831 3.476 -6.833 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.235 3.784 -8.292 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -1.409 2.696 -6.928 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -2.520 4.492 -5.628 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -2.331 5.595 -6.977 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.191 3.271 -6.664 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -4.487 4.848 -7.367 1.00 0.00 H new ATOM 0 HE ARG A 17 -3.452 2.465 -8.739 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -3.815 5.977 -8.784 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -3.644 6.088 -10.539 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -3.233 2.616 -10.993 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -3.316 4.193 -11.785 1.00 0.00 H new ATOM 224 N PHE A 18 0.152 6.653 -6.719 1.00 0.00 N ATOM 225 CA PHE A 18 0.487 7.957 -7.279 1.00 0.00 C ATOM 226 C PHE A 18 1.953 8.296 -7.028 1.00 0.00 C ATOM 227 O PHE A 18 2.625 8.873 -7.884 1.00 0.00 O ATOM 228 CB PHE A 18 -0.409 9.040 -6.675 1.00 0.00 C ATOM 229 CG PHE A 18 0.229 10.400 -6.650 1.00 0.00 C ATOM 230 CD1 PHE A 18 1.108 10.749 -5.637 1.00 0.00 C ATOM 231 CD2 PHE A 18 -0.052 11.330 -7.638 1.00 0.00 C ATOM 232 CE1 PHE A 18 1.697 12.000 -5.611 1.00 0.00 C ATOM 233 CE2 PHE A 18 0.534 12.580 -7.617 1.00 0.00 C ATOM 234 CZ PHE A 18 1.409 12.917 -6.602 1.00 0.00 C ATOM 0 H PHE A 18 -0.345 6.691 -5.829 1.00 0.00 H new ATOM 0 HA PHE A 18 0.321 7.916 -8.355 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -1.336 9.093 -7.245 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -0.676 8.754 -5.658 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.336 10.036 -4.859 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.737 11.074 -8.433 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.381 12.259 -4.817 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.308 13.295 -8.394 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.866 13.895 -6.584 1.00 0.00 H new ATOM 244 N LEU A 19 2.444 7.933 -5.847 1.00 0.00 N ATOM 245 CA LEU A 19 3.830 8.198 -5.481 1.00 0.00 C ATOM 246 C LEU A 19 4.788 7.633 -6.526 1.00 0.00 C ATOM 247 O LEU A 19 5.714 8.311 -6.965 1.00 0.00 O ATOM 248 CB LEU A 19 4.141 7.596 -4.110 1.00 0.00 C ATOM 249 CG LEU A 19 3.688 8.412 -2.900 1.00 0.00 C ATOM 250 CD1 LEU A 19 3.358 7.497 -1.731 1.00 0.00 C ATOM 251 CD2 LEU A 19 4.758 9.421 -2.505 1.00 0.00 C ATOM 0 H LEU A 19 1.902 7.455 -5.127 1.00 0.00 H new ATOM 0 HA LEU A 19 3.967 9.278 -5.436 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.676 6.612 -4.054 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.218 7.444 -4.038 1.00 0.00 H new ATOM 0 HG LEU A 19 2.785 8.958 -3.173 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.037 8.096 -0.879 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.557 6.816 -2.017 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.243 6.922 -1.458 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.418 9.993 -1.642 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.678 8.895 -2.252 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.945 10.098 -3.338 1.00 0.00 H new ATOM 263 N ASN A 20 4.554 6.385 -6.921 1.00 0.00 N ATOM 264 CA ASN A 20 5.393 5.728 -7.916 1.00 0.00 C ATOM 265 C ASN A 20 5.227 6.382 -9.286 1.00 0.00 C ATOM 266 O ASN A 20 6.190 6.879 -9.867 1.00 0.00 O ATOM 267 CB ASN A 20 5.048 4.240 -8.003 1.00 0.00 C ATOM 268 CG ASN A 20 4.945 3.590 -6.637 1.00 0.00 C ATOM 269 OD1 ASN A 20 5.830 3.746 -5.794 1.00 0.00 O ATOM 270 ND2 ASN A 20 3.862 2.857 -6.412 1.00 0.00 N ATOM 0 H ASN A 20 3.790 5.809 -6.567 1.00 0.00 H new ATOM 0 HA ASN A 20 6.432 5.835 -7.606 1.00 0.00 H new ATOM 0 HB2 ASN A 20 4.103 4.119 -8.532 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.810 3.727 -8.590 1.00 0.00 H new ATOM 0 HD21 ASN A 20 3.737 2.395 -5.511 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.155 2.756 -7.140 1.00 0.00 H new ATOM 277 N GLU A 21 3.998 6.376 -9.792 1.00 0.00 N ATOM 278 CA GLU A 21 3.706 6.967 -11.093 1.00 0.00 C ATOM 279 C GLU A 21 4.487 8.262 -11.289 1.00 0.00 C ATOM 280 O GLU A 21 5.075 8.491 -12.346 1.00 0.00 O ATOM 281 CB GLU A 21 2.205 7.237 -11.229 1.00 0.00 C ATOM 282 CG GLU A 21 1.745 7.397 -12.668 1.00 0.00 C ATOM 283 CD GLU A 21 1.625 6.071 -13.394 1.00 0.00 C ATOM 284 OE1 GLU A 21 2.473 5.186 -13.156 1.00 0.00 O ATOM 285 OE2 GLU A 21 0.681 5.919 -14.198 1.00 0.00 O ATOM 0 H GLU A 21 3.189 5.969 -9.322 1.00 0.00 H new ATOM 0 HA GLU A 21 4.012 6.259 -11.863 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.653 6.417 -10.769 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.955 8.141 -10.673 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.780 7.903 -12.683 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.449 8.036 -13.201 1.00 0.00 H new ATOM 292 N ARG A 22 4.488 9.107 -10.262 1.00 0.00 N ATOM 293 CA ARG A 22 5.195 10.381 -10.322 1.00 0.00 C ATOM 294 C ARG A 22 6.670 10.200 -9.978 1.00 0.00 C ATOM 295 O ARG A 22 7.533 10.902 -10.508 1.00 0.00 O ATOM 296 CB ARG A 22 4.556 11.387 -9.364 1.00 0.00 C ATOM 297 CG ARG A 22 3.140 11.782 -9.750 1.00 0.00 C ATOM 298 CD ARG A 22 3.132 12.772 -10.904 1.00 0.00 C ATOM 299 NE ARG A 22 1.800 13.323 -11.142 1.00 0.00 N ATOM 300 CZ ARG A 22 1.548 14.279 -12.030 1.00 0.00 C ATOM 301 NH1 ARG A 22 2.532 14.786 -12.759 1.00 0.00 N ATOM 302 NH2 ARG A 22 0.311 14.729 -12.190 1.00 0.00 N ATOM 0 H ARG A 22 4.007 8.932 -9.379 1.00 0.00 H new ATOM 0 HA ARG A 22 5.122 10.762 -11.340 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.545 10.963 -8.360 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.176 12.283 -9.325 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.576 10.892 -10.029 1.00 0.00 H new ATOM 0 HG3 ARG A 22 2.636 12.221 -8.889 1.00 0.00 H new ATOM 0 HD2 ARG A 22 3.827 13.584 -10.690 1.00 0.00 H new ATOM 0 HD3 ARG A 22 3.487 12.278 -11.808 1.00 0.00 H new ATOM 0 HE ARG A 22 1.021 12.954 -10.597 1.00 0.00 H new ATOM 0 HH11 ARG A 22 3.485 14.442 -12.639 1.00 0.00 H new ATOM 0 HH12 ARG A 22 2.336 15.520 -13.440 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -0.449 14.341 -11.631 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.119 15.463 -12.872 1.00 0.00 H new ATOM 316 N ARG A 23 6.954 9.255 -9.088 1.00 0.00 N ATOM 317 CA ARG A 23 8.324 8.984 -8.671 1.00 0.00 C ATOM 318 C ARG A 23 9.273 9.021 -9.866 1.00 0.00 C ATOM 319 O ARG A 23 10.391 9.524 -9.766 1.00 0.00 O ATOM 320 CB ARG A 23 8.410 7.621 -7.980 1.00 0.00 C ATOM 321 CG ARG A 23 9.824 7.222 -7.594 1.00 0.00 C ATOM 322 CD ARG A 23 10.503 6.434 -8.702 1.00 0.00 C ATOM 323 NE ARG A 23 9.879 5.130 -8.908 1.00 0.00 N ATOM 324 CZ ARG A 23 10.348 4.215 -9.749 1.00 0.00 C ATOM 325 NH1 ARG A 23 11.440 4.461 -10.460 1.00 0.00 N ATOM 326 NH2 ARG A 23 9.724 3.051 -9.881 1.00 0.00 N ATOM 0 H ARG A 23 6.253 8.664 -8.642 1.00 0.00 H new ATOM 0 HA ARG A 23 8.623 9.760 -7.967 1.00 0.00 H new ATOM 0 HB2 ARG A 23 7.789 7.637 -7.084 1.00 0.00 H new ATOM 0 HB3 ARG A 23 7.995 6.861 -8.642 1.00 0.00 H new ATOM 0 HG2 ARG A 23 10.407 8.116 -7.372 1.00 0.00 H new ATOM 0 HG3 ARG A 23 9.798 6.623 -6.684 1.00 0.00 H new ATOM 0 HD2 ARG A 23 10.464 7.005 -9.629 1.00 0.00 H new ATOM 0 HD3 ARG A 23 11.556 6.297 -8.456 1.00 0.00 H new ATOM 0 HE ARG A 23 9.037 4.910 -8.377 1.00 0.00 H new ATOM 0 HH11 ARG A 23 11.922 5.355 -10.362 1.00 0.00 H new ATOM 0 HH12 ARG A 23 11.798 3.757 -11.105 1.00 0.00 H new ATOM 0 HH21 ARG A 23 8.883 2.858 -9.336 1.00 0.00 H new ATOM 0 HH22 ARG A 23 10.085 2.349 -10.527 1.00 0.00 H new ATOM 340 N GLU A 24 8.818 8.482 -10.993 1.00 0.00 N ATOM 341 CA GLU A 24 9.627 8.453 -12.206 1.00 0.00 C ATOM 342 C GLU A 24 9.827 9.861 -12.760 1.00 0.00 C ATOM 343 O GLU A 24 10.924 10.218 -13.190 1.00 0.00 O ATOM 344 CB GLU A 24 8.968 7.565 -13.264 1.00 0.00 C ATOM 345 CG GLU A 24 9.654 7.622 -14.618 1.00 0.00 C ATOM 346 CD GLU A 24 8.703 7.340 -15.766 1.00 0.00 C ATOM 347 OE1 GLU A 24 7.869 8.215 -16.074 1.00 0.00 O ATOM 348 OE2 GLU A 24 8.795 6.242 -16.355 1.00 0.00 O ATOM 0 H GLU A 24 7.895 8.060 -11.091 1.00 0.00 H new ATOM 0 HA GLU A 24 10.603 8.039 -11.952 1.00 0.00 H new ATOM 0 HB2 GLU A 24 8.965 6.534 -12.910 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.927 7.865 -13.381 1.00 0.00 H new ATOM 0 HG2 GLU A 24 10.100 8.607 -14.754 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.468 6.898 -14.639 1.00 0.00 H new ATOM 355 N GLN A 25 8.761 10.653 -12.747 1.00 0.00 N ATOM 356 CA GLN A 25 8.819 12.020 -13.250 1.00 0.00 C ATOM 357 C GLN A 25 9.914 12.813 -12.544 1.00 0.00 C ATOM 358 O GLN A 25 10.622 13.604 -13.168 1.00 0.00 O ATOM 359 CB GLN A 25 7.469 12.714 -13.061 1.00 0.00 C ATOM 360 CG GLN A 25 6.319 12.005 -13.758 1.00 0.00 C ATOM 361 CD GLN A 25 6.334 12.204 -15.261 1.00 0.00 C ATOM 362 OE1 GLN A 25 7.116 11.573 -15.974 1.00 0.00 O ATOM 363 NE2 GLN A 25 5.469 13.084 -15.751 1.00 0.00 N ATOM 0 H GLN A 25 7.846 10.372 -12.394 1.00 0.00 H new ATOM 0 HA GLN A 25 9.052 11.979 -14.314 1.00 0.00 H new ATOM 0 HB2 GLN A 25 7.251 12.782 -11.995 1.00 0.00 H new ATOM 0 HB3 GLN A 25 7.538 13.734 -13.438 1.00 0.00 H new ATOM 0 HG2 GLN A 25 6.367 10.939 -13.536 1.00 0.00 H new ATOM 0 HG3 GLN A 25 5.374 12.372 -13.356 1.00 0.00 H new ATOM 0 HE21 GLN A 25 4.840 13.584 -15.123 1.00 0.00 H new ATOM 0 HE22 GLN A 25 5.434 13.260 -16.755 1.00 0.00 H new ATOM 372 N ILE A 26 10.047 12.597 -11.240 1.00 0.00 N ATOM 373 CA ILE A 26 11.056 13.291 -10.449 1.00 0.00 C ATOM 374 C ILE A 26 12.461 12.828 -10.823 1.00 0.00 C ATOM 375 O ILE A 26 13.300 13.630 -11.236 1.00 0.00 O ATOM 376 CB ILE A 26 10.840 13.070 -8.941 1.00 0.00 C ATOM 377 CG1 ILE A 26 9.398 13.406 -8.556 1.00 0.00 C ATOM 378 CG2 ILE A 26 11.818 13.914 -8.137 1.00 0.00 C ATOM 379 CD1 ILE A 26 9.042 14.863 -8.758 1.00 0.00 C ATOM 0 H ILE A 26 9.468 11.947 -10.708 1.00 0.00 H new ATOM 0 HA ILE A 26 10.954 14.354 -10.670 1.00 0.00 H new ATOM 0 HB ILE A 26 11.022 12.020 -8.713 1.00 0.00 H new ATOM 0 HG12 ILE A 26 8.720 12.790 -9.146 1.00 0.00 H new ATOM 0 HG13 ILE A 26 9.239 13.143 -7.510 1.00 0.00 H new ATOM 0 HG21 ILE A 26 11.653 13.747 -7.073 1.00 0.00 H new ATOM 0 HG22 ILE A 26 12.839 13.632 -8.395 1.00 0.00 H new ATOM 0 HG23 ILE A 26 11.664 14.968 -8.367 1.00 0.00 H new ATOM 0 HD11 ILE A 26 8.005 15.028 -8.465 1.00 0.00 H new ATOM 0 HD12 ILE A 26 9.696 15.485 -8.147 1.00 0.00 H new ATOM 0 HD13 ILE A 26 9.168 15.126 -9.808 1.00 0.00 H new ATOM 391 N ARG A 27 12.709 11.532 -10.677 1.00 0.00 N ATOM 392 CA ARG A 27 14.012 10.961 -11.000 1.00 0.00 C ATOM 393 C ARG A 27 14.613 11.641 -12.227 1.00 0.00 C ATOM 394 O ARG A 27 15.788 12.012 -12.230 1.00 0.00 O ATOM 395 CB ARG A 27 13.887 9.457 -11.248 1.00 0.00 C ATOM 396 CG ARG A 27 13.843 8.632 -9.972 1.00 0.00 C ATOM 397 CD ARG A 27 15.230 8.459 -9.372 1.00 0.00 C ATOM 398 NE ARG A 27 16.062 7.560 -10.166 1.00 0.00 N ATOM 399 CZ ARG A 27 17.368 7.409 -9.979 1.00 0.00 C ATOM 400 NH1 ARG A 27 17.988 8.096 -9.029 1.00 0.00 N ATOM 401 NH2 ARG A 27 18.057 6.570 -10.742 1.00 0.00 N ATOM 0 H ARG A 27 12.025 10.856 -10.337 1.00 0.00 H new ATOM 0 HA ARG A 27 14.675 11.128 -10.151 1.00 0.00 H new ATOM 0 HB2 ARG A 27 12.982 9.266 -11.826 1.00 0.00 H new ATOM 0 HB3 ARG A 27 14.729 9.126 -11.856 1.00 0.00 H new ATOM 0 HG2 ARG A 27 13.189 9.117 -9.247 1.00 0.00 H new ATOM 0 HG3 ARG A 27 13.413 7.653 -10.185 1.00 0.00 H new ATOM 0 HD2 ARG A 27 15.716 9.432 -9.297 1.00 0.00 H new ATOM 0 HD3 ARG A 27 15.140 8.069 -8.358 1.00 0.00 H new ATOM 0 HE ARG A 27 15.615 7.018 -10.906 1.00 0.00 H new ATOM 0 HH11 ARG A 27 17.462 8.742 -8.440 1.00 0.00 H new ATOM 0 HH12 ARG A 27 18.991 7.979 -8.887 1.00 0.00 H new ATOM 0 HH21 ARG A 27 17.584 6.040 -11.474 1.00 0.00 H new ATOM 0 HH22 ARG A 27 19.060 6.455 -10.597 1.00 0.00 H new ATOM 415 N THR A 28 13.802 11.801 -13.266 1.00 0.00 N ATOM 416 CA THR A 28 14.254 12.433 -14.499 1.00 0.00 C ATOM 417 C THR A 28 14.793 13.834 -14.233 1.00 0.00 C ATOM 418 O THR A 28 15.818 14.231 -14.786 1.00 0.00 O ATOM 419 CB THR A 28 13.117 12.522 -15.535 1.00 0.00 C ATOM 420 OG1 THR A 28 12.652 11.209 -15.865 1.00 0.00 O ATOM 421 CG2 THR A 28 13.587 13.232 -16.796 1.00 0.00 C ATOM 0 H THR A 28 12.827 11.501 -13.279 1.00 0.00 H new ATOM 0 HA THR A 28 15.053 11.808 -14.899 1.00 0.00 H new ATOM 0 HB THR A 28 12.301 13.097 -15.098 1.00 0.00 H new ATOM 0 HG1 THR A 28 12.132 10.849 -15.117 1.00 0.00 H new ATOM 0 HG21 THR A 28 12.767 13.282 -17.512 1.00 0.00 H new ATOM 0 HG22 THR A 28 13.912 14.242 -16.545 1.00 0.00 H new ATOM 0 HG23 THR A 28 14.419 12.681 -17.235 1.00 0.00 H new ATOM 429 N ARG A 29 14.097 14.579 -13.379 1.00 0.00 N ATOM 430 CA ARG A 29 14.506 15.937 -13.040 1.00 0.00 C ATOM 431 C ARG A 29 15.623 15.923 -12.001 1.00 0.00 C ATOM 432 O ARG A 29 16.707 16.460 -12.232 1.00 0.00 O ATOM 433 CB ARG A 29 13.313 16.735 -12.511 1.00 0.00 C ATOM 434 CG ARG A 29 12.528 17.449 -13.599 1.00 0.00 C ATOM 435 CD ARG A 29 11.075 17.650 -13.198 1.00 0.00 C ATOM 436 NE ARG A 29 10.447 18.738 -13.942 1.00 0.00 N ATOM 437 CZ ARG A 29 10.598 20.021 -13.636 1.00 0.00 C ATOM 438 NH1 ARG A 29 11.354 20.376 -12.605 1.00 0.00 N ATOM 439 NH2 ARG A 29 9.994 20.954 -14.362 1.00 0.00 N ATOM 0 H ARG A 29 13.248 14.265 -12.910 1.00 0.00 H new ATOM 0 HA ARG A 29 14.880 16.414 -13.946 1.00 0.00 H new ATOM 0 HB2 ARG A 29 12.645 16.061 -11.975 1.00 0.00 H new ATOM 0 HB3 ARG A 29 13.670 17.470 -11.790 1.00 0.00 H new ATOM 0 HG2 ARG A 29 12.987 18.416 -13.805 1.00 0.00 H new ATOM 0 HG3 ARG A 29 12.575 16.871 -14.522 1.00 0.00 H new ATOM 0 HD2 ARG A 29 10.521 16.727 -13.369 1.00 0.00 H new ATOM 0 HD3 ARG A 29 11.020 17.862 -12.130 1.00 0.00 H new ATOM 0 HE ARG A 29 9.860 18.499 -14.741 1.00 0.00 H new ATOM 0 HH11 ARG A 29 11.821 19.662 -12.045 1.00 0.00 H new ATOM 0 HH12 ARG A 29 11.468 21.362 -12.372 1.00 0.00 H new ATOM 0 HH21 ARG A 29 9.413 20.686 -15.156 1.00 0.00 H new ATOM 0 HH22 ARG A 29 10.111 21.939 -14.126 1.00 0.00 H new ATOM 453 N HIS A 30 15.351 15.306 -10.854 1.00 0.00 N ATOM 454 CA HIS A 30 16.333 15.222 -9.780 1.00 0.00 C ATOM 455 C HIS A 30 16.891 13.807 -9.662 1.00 0.00 C ATOM 456 O HIS A 30 16.549 13.053 -8.751 1.00 0.00 O ATOM 457 CB HIS A 30 15.705 15.647 -8.452 1.00 0.00 C ATOM 458 CG HIS A 30 14.749 16.794 -8.581 1.00 0.00 C ATOM 459 ND1 HIS A 30 14.983 18.035 -8.029 1.00 0.00 N ATOM 460 CD2 HIS A 30 13.553 16.882 -9.207 1.00 0.00 C ATOM 461 CE1 HIS A 30 13.971 18.836 -8.307 1.00 0.00 C ATOM 462 NE2 HIS A 30 13.089 18.161 -9.021 1.00 0.00 N ATOM 0 H HIS A 30 14.459 14.858 -10.646 1.00 0.00 H new ATOM 0 HA HIS A 30 17.154 15.898 -10.019 1.00 0.00 H new ATOM 0 HB2 HIS A 30 15.181 14.795 -8.018 1.00 0.00 H new ATOM 0 HB3 HIS A 30 16.498 15.922 -7.756 1.00 0.00 H new ATOM 0 HD2 HIS A 30 13.056 16.093 -9.752 1.00 0.00 H new ATOM 0 HE1 HIS A 30 13.880 19.868 -8.002 1.00 0.00 H new ATOM 0 HE2 HIS A 30 12.207 18.529 -9.376 1.00 0.00 H new ATOM 471 N PRO A 31 17.771 13.437 -10.604 1.00 0.00 N ATOM 472 CA PRO A 31 18.394 12.111 -10.627 1.00 0.00 C ATOM 473 C PRO A 31 19.387 11.916 -9.487 1.00 0.00 C ATOM 474 O PRO A 31 19.972 10.844 -9.337 1.00 0.00 O ATOM 475 CB PRO A 31 19.117 12.082 -11.977 1.00 0.00 C ATOM 476 CG PRO A 31 19.380 13.514 -12.295 1.00 0.00 C ATOM 477 CD PRO A 31 18.224 14.285 -11.720 1.00 0.00 C ATOM 0 HA PRO A 31 17.660 11.314 -10.503 1.00 0.00 H new ATOM 0 HB2 PRO A 31 20.045 11.513 -11.917 1.00 0.00 H new ATOM 0 HB3 PRO A 31 18.503 11.612 -12.745 1.00 0.00 H new ATOM 0 HG2 PRO A 31 20.324 13.843 -11.860 1.00 0.00 H new ATOM 0 HG3 PRO A 31 19.454 13.667 -13.372 1.00 0.00 H new ATOM 0 HD2 PRO A 31 18.531 15.273 -11.376 1.00 0.00 H new ATOM 0 HD3 PRO A 31 17.435 14.435 -12.457 1.00 0.00 H new ATOM 485 N ASP A 32 19.570 12.959 -8.685 1.00 0.00 N ATOM 486 CA ASP A 32 20.491 12.903 -7.555 1.00 0.00 C ATOM 487 C ASP A 32 19.734 12.706 -6.246 1.00 0.00 C ATOM 488 O ASP A 32 20.279 12.182 -5.274 1.00 0.00 O ATOM 489 CB ASP A 32 21.328 14.181 -7.488 1.00 0.00 C ATOM 490 CG ASP A 32 22.543 14.126 -8.394 1.00 0.00 C ATOM 491 OD1 ASP A 32 23.037 13.010 -8.657 1.00 0.00 O ATOM 492 OD2 ASP A 32 22.999 15.200 -8.840 1.00 0.00 O ATOM 0 H ASP A 32 19.093 13.854 -8.796 1.00 0.00 H new ATOM 0 HA ASP A 32 21.155 12.051 -7.701 1.00 0.00 H new ATOM 0 HB2 ASP A 32 20.708 15.033 -7.768 1.00 0.00 H new ATOM 0 HB3 ASP A 32 21.652 14.346 -6.460 1.00 0.00 H new ATOM 497 N LEU A 33 18.475 13.131 -6.227 1.00 0.00 N ATOM 498 CA LEU A 33 17.642 13.001 -5.036 1.00 0.00 C ATOM 499 C LEU A 33 17.394 11.534 -4.701 1.00 0.00 C ATOM 500 O LEU A 33 16.934 10.751 -5.533 1.00 0.00 O ATOM 501 CB LEU A 33 16.309 13.722 -5.242 1.00 0.00 C ATOM 502 CG LEU A 33 16.312 15.228 -4.977 1.00 0.00 C ATOM 503 CD1 LEU A 33 14.889 15.753 -4.867 1.00 0.00 C ATOM 504 CD2 LEU A 33 17.099 15.545 -3.713 1.00 0.00 C ATOM 0 H LEU A 33 18.009 13.568 -7.022 1.00 0.00 H new ATOM 0 HA LEU A 33 18.171 13.460 -4.201 1.00 0.00 H new ATOM 0 HB2 LEU A 33 15.983 13.555 -6.269 1.00 0.00 H new ATOM 0 HB3 LEU A 33 15.565 13.261 -4.592 1.00 0.00 H new ATOM 0 HG LEU A 33 16.797 15.725 -5.817 1.00 0.00 H new ATOM 0 HD11 LEU A 33 14.911 16.826 -4.678 1.00 0.00 H new ATOM 0 HD12 LEU A 33 14.357 15.559 -5.798 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.378 15.251 -4.046 1.00 0.00 H new ATOM 0 HD21 LEU A 33 17.091 16.621 -3.540 1.00 0.00 H new ATOM 0 HD22 LEU A 33 16.643 15.037 -2.863 1.00 0.00 H new ATOM 0 HD23 LEU A 33 18.128 15.204 -3.830 1.00 0.00 H new ATOM 516 N PRO A 34 17.703 11.151 -3.453 1.00 0.00 N ATOM 517 CA PRO A 34 17.519 9.776 -2.979 1.00 0.00 C ATOM 518 C PRO A 34 16.047 9.406 -2.833 1.00 0.00 C ATOM 519 O PRO A 34 15.171 10.080 -3.374 1.00 0.00 O ATOM 520 CB PRO A 34 18.209 9.778 -1.612 1.00 0.00 C ATOM 521 CG PRO A 34 18.156 11.197 -1.163 1.00 0.00 C ATOM 522 CD PRO A 34 18.256 12.031 -2.410 1.00 0.00 C ATOM 0 HA PRO A 34 17.927 9.045 -3.677 1.00 0.00 H new ATOM 0 HB2 PRO A 34 17.697 9.121 -0.909 1.00 0.00 H new ATOM 0 HB3 PRO A 34 19.237 9.425 -1.687 1.00 0.00 H new ATOM 0 HG2 PRO A 34 17.228 11.403 -0.629 1.00 0.00 H new ATOM 0 HG3 PRO A 34 18.974 11.420 -0.478 1.00 0.00 H new ATOM 0 HD2 PRO A 34 17.687 12.956 -2.321 1.00 0.00 H new ATOM 0 HD3 PRO A 34 19.287 12.310 -2.625 1.00 0.00 H new ATOM 530 N PHE A 35 15.783 8.331 -2.097 1.00 0.00 N ATOM 531 CA PHE A 35 14.416 7.870 -1.880 1.00 0.00 C ATOM 532 C PHE A 35 13.671 8.808 -0.935 1.00 0.00 C ATOM 533 O PHE A 35 12.636 9.381 -1.277 1.00 0.00 O ATOM 534 CB PHE A 35 14.419 6.451 -1.311 1.00 0.00 C ATOM 535 CG PHE A 35 13.273 6.176 -0.378 1.00 0.00 C ATOM 536 CD1 PHE A 35 12.000 6.636 -0.671 1.00 0.00 C ATOM 537 CD2 PHE A 35 13.471 5.458 0.790 1.00 0.00 C ATOM 538 CE1 PHE A 35 10.944 6.386 0.185 1.00 0.00 C ATOM 539 CE2 PHE A 35 12.419 5.205 1.650 1.00 0.00 C ATOM 540 CZ PHE A 35 11.153 5.668 1.346 1.00 0.00 C ATOM 0 H PHE A 35 16.497 7.763 -1.641 1.00 0.00 H new ATOM 0 HA PHE A 35 13.902 7.867 -2.841 1.00 0.00 H new ATOM 0 HB2 PHE A 35 14.386 5.738 -2.135 1.00 0.00 H new ATOM 0 HB3 PHE A 35 15.357 6.283 -0.781 1.00 0.00 H new ATOM 0 HD1 PHE A 35 11.831 7.196 -1.579 1.00 0.00 H new ATOM 0 HD2 PHE A 35 14.458 5.092 1.031 1.00 0.00 H new ATOM 0 HE1 PHE A 35 9.956 6.752 -0.054 1.00 0.00 H new ATOM 0 HE2 PHE A 35 12.586 4.646 2.559 1.00 0.00 H new ATOM 0 HZ PHE A 35 10.329 5.469 2.015 1.00 0.00 H new ATOM 550 N PRO A 36 14.206 8.968 0.284 1.00 0.00 N ATOM 551 CA PRO A 36 13.608 9.835 1.304 1.00 0.00 C ATOM 552 C PRO A 36 13.727 11.313 0.951 1.00 0.00 C ATOM 553 O PRO A 36 13.613 12.179 1.818 1.00 0.00 O ATOM 554 CB PRO A 36 14.424 9.518 2.560 1.00 0.00 C ATOM 555 CG PRO A 36 15.736 9.032 2.048 1.00 0.00 C ATOM 556 CD PRO A 36 15.438 8.316 0.760 1.00 0.00 C ATOM 0 HA PRO A 36 12.539 9.655 1.416 1.00 0.00 H new ATOM 0 HB2 PRO A 36 14.546 10.402 3.186 1.00 0.00 H new ATOM 0 HB3 PRO A 36 13.932 8.761 3.171 1.00 0.00 H new ATOM 0 HG2 PRO A 36 16.422 9.862 1.883 1.00 0.00 H new ATOM 0 HG3 PRO A 36 16.211 8.363 2.765 1.00 0.00 H new ATOM 0 HD2 PRO A 36 16.252 8.423 0.043 1.00 0.00 H new ATOM 0 HD3 PRO A 36 15.292 7.248 0.919 1.00 0.00 H new ATOM 564 N GLU A 37 13.956 11.595 -0.329 1.00 0.00 N ATOM 565 CA GLU A 37 14.090 12.969 -0.795 1.00 0.00 C ATOM 566 C GLU A 37 13.127 13.251 -1.944 1.00 0.00 C ATOM 567 O GLU A 37 12.745 14.397 -2.182 1.00 0.00 O ATOM 568 CB GLU A 37 15.528 13.242 -1.243 1.00 0.00 C ATOM 569 CG GLU A 37 16.465 13.592 -0.099 1.00 0.00 C ATOM 570 CD GLU A 37 16.397 15.059 0.283 1.00 0.00 C ATOM 571 OE1 GLU A 37 16.632 15.912 -0.596 1.00 0.00 O ATOM 572 OE2 GLU A 37 16.108 15.351 1.462 1.00 0.00 O ATOM 0 H GLU A 37 14.052 10.890 -1.060 1.00 0.00 H new ATOM 0 HA GLU A 37 13.843 13.631 0.035 1.00 0.00 H new ATOM 0 HB2 GLU A 37 15.912 12.363 -1.760 1.00 0.00 H new ATOM 0 HB3 GLU A 37 15.526 14.060 -1.964 1.00 0.00 H new ATOM 0 HG2 GLU A 37 16.216 12.982 0.769 1.00 0.00 H new ATOM 0 HG3 GLU A 37 17.487 13.341 -0.382 1.00 0.00 H new ATOM 579 N ILE A 38 12.737 12.197 -2.653 1.00 0.00 N ATOM 580 CA ILE A 38 11.818 12.329 -3.776 1.00 0.00 C ATOM 581 C ILE A 38 10.368 12.225 -3.315 1.00 0.00 C ATOM 582 O ILE A 38 9.502 12.966 -3.781 1.00 0.00 O ATOM 583 CB ILE A 38 12.082 11.257 -4.850 1.00 0.00 C ATOM 584 CG1 ILE A 38 13.484 11.429 -5.439 1.00 0.00 C ATOM 585 CG2 ILE A 38 11.028 11.333 -5.944 1.00 0.00 C ATOM 586 CD1 ILE A 38 13.950 10.236 -6.244 1.00 0.00 C ATOM 0 H ILE A 38 13.044 11.242 -2.469 1.00 0.00 H new ATOM 0 HA ILE A 38 11.989 13.314 -4.209 1.00 0.00 H new ATOM 0 HB ILE A 38 12.023 10.273 -4.384 1.00 0.00 H new ATOM 0 HG12 ILE A 38 13.496 12.314 -6.075 1.00 0.00 H new ATOM 0 HG13 ILE A 38 14.190 11.609 -4.629 1.00 0.00 H new ATOM 0 HG21 ILE A 38 11.228 10.569 -6.696 1.00 0.00 H new ATOM 0 HG22 ILE A 38 10.042 11.167 -5.511 1.00 0.00 H new ATOM 0 HG23 ILE A 38 11.058 12.318 -6.410 1.00 0.00 H new ATOM 0 HD11 ILE A 38 14.951 10.427 -6.631 1.00 0.00 H new ATOM 0 HD12 ILE A 38 13.970 9.352 -5.606 1.00 0.00 H new ATOM 0 HD13 ILE A 38 13.265 10.068 -7.075 1.00 0.00 H new ATOM 598 N THR A 39 10.111 11.300 -2.396 1.00 0.00 N ATOM 599 CA THR A 39 8.766 11.098 -1.871 1.00 0.00 C ATOM 600 C THR A 39 8.299 12.311 -1.074 1.00 0.00 C ATOM 601 O THR A 39 7.176 12.787 -1.248 1.00 0.00 O ATOM 602 CB THR A 39 8.695 9.849 -0.971 1.00 0.00 C ATOM 603 OG1 THR A 39 8.775 8.665 -1.772 1.00 0.00 O ATOM 604 CG2 THR A 39 7.407 9.838 -0.163 1.00 0.00 C ATOM 0 H THR A 39 10.816 10.679 -2.000 1.00 0.00 H new ATOM 0 HA THR A 39 8.110 10.956 -2.730 1.00 0.00 H new ATOM 0 HB THR A 39 9.537 9.876 -0.279 1.00 0.00 H new ATOM 0 HG1 THR A 39 8.731 7.875 -1.194 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.379 8.947 0.465 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.365 10.727 0.466 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.553 9.832 -0.840 1.00 0.00 H new ATOM 612 N LYS A 40 9.166 12.810 -0.201 1.00 0.00 N ATOM 613 CA LYS A 40 8.845 13.969 0.622 1.00 0.00 C ATOM 614 C LYS A 40 8.322 15.117 -0.237 1.00 0.00 C ATOM 615 O LYS A 40 7.543 15.948 0.231 1.00 0.00 O ATOM 616 CB LYS A 40 10.080 14.425 1.403 1.00 0.00 C ATOM 617 CG LYS A 40 11.109 15.144 0.548 1.00 0.00 C ATOM 618 CD LYS A 40 11.943 16.109 1.374 1.00 0.00 C ATOM 619 CE LYS A 40 12.572 17.187 0.505 1.00 0.00 C ATOM 620 NZ LYS A 40 13.411 16.606 -0.580 1.00 0.00 N ATOM 0 H LYS A 40 10.099 12.429 -0.045 1.00 0.00 H new ATOM 0 HA LYS A 40 8.065 13.679 1.326 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.765 15.086 2.211 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.548 13.556 1.866 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.762 14.413 0.071 1.00 0.00 H new ATOM 0 HG3 LYS A 40 10.604 15.689 -0.250 1.00 0.00 H new ATOM 0 HD2 LYS A 40 11.316 16.574 2.135 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.726 15.559 1.897 1.00 0.00 H new ATOM 0 HE2 LYS A 40 11.787 17.804 0.067 1.00 0.00 H new ATOM 0 HE3 LYS A 40 13.183 17.843 1.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 13.862 17.373 -1.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 14.144 15.997 -0.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 12.813 16.042 -1.217 1.00 0.00 H new ATOM 634 N MET A 41 8.753 15.155 -1.493 1.00 0.00 N ATOM 635 CA MET A 41 8.325 16.199 -2.417 1.00 0.00 C ATOM 636 C MET A 41 6.926 15.909 -2.954 1.00 0.00 C ATOM 637 O MET A 41 6.060 16.785 -2.961 1.00 0.00 O ATOM 638 CB MET A 41 9.314 16.320 -3.577 1.00 0.00 C ATOM 639 CG MET A 41 10.554 17.132 -3.237 1.00 0.00 C ATOM 640 SD MET A 41 11.363 17.811 -4.698 1.00 0.00 S ATOM 641 CE MET A 41 11.804 16.308 -5.568 1.00 0.00 C ATOM 0 H MET A 41 9.398 14.475 -1.895 1.00 0.00 H new ATOM 0 HA MET A 41 8.298 17.143 -1.873 1.00 0.00 H new ATOM 0 HB2 MET A 41 9.618 15.321 -3.890 1.00 0.00 H new ATOM 0 HB3 MET A 41 8.810 16.780 -4.427 1.00 0.00 H new ATOM 0 HG2 MET A 41 10.277 17.947 -2.568 1.00 0.00 H new ATOM 0 HG3 MET A 41 11.259 16.501 -2.696 1.00 0.00 H new ATOM 0 HE1 MET A 41 12.586 16.525 -6.296 1.00 0.00 H new ATOM 0 HE2 MET A 41 12.168 15.568 -4.855 1.00 0.00 H new ATOM 0 HE3 MET A 41 10.927 15.915 -6.083 1.00 0.00 H new ATOM 651 N LEU A 42 6.714 14.678 -3.404 1.00 0.00 N ATOM 652 CA LEU A 42 5.419 14.274 -3.943 1.00 0.00 C ATOM 653 C LEU A 42 4.309 14.498 -2.922 1.00 0.00 C ATOM 654 O LEU A 42 3.247 15.025 -3.249 1.00 0.00 O ATOM 655 CB LEU A 42 5.456 12.803 -4.360 1.00 0.00 C ATOM 656 CG LEU A 42 6.477 12.434 -5.436 1.00 0.00 C ATOM 657 CD1 LEU A 42 6.569 10.925 -5.592 1.00 0.00 C ATOM 658 CD2 LEU A 42 6.115 13.089 -6.762 1.00 0.00 C ATOM 0 H LEU A 42 7.421 13.942 -3.407 1.00 0.00 H new ATOM 0 HA LEU A 42 5.210 14.889 -4.818 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.658 12.200 -3.474 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.465 12.523 -4.717 1.00 0.00 H new ATOM 0 HG LEU A 42 7.453 12.805 -5.125 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.301 10.683 -6.363 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.877 10.480 -4.646 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.595 10.529 -5.879 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.853 12.815 -7.516 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.129 12.749 -7.079 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.104 14.172 -6.642 1.00 0.00 H new ATOM 670 N GLY A 43 4.564 14.095 -1.680 1.00 0.00 N ATOM 671 CA GLY A 43 3.578 14.262 -0.629 1.00 0.00 C ATOM 672 C GLY A 43 2.838 15.581 -0.733 1.00 0.00 C ATOM 673 O GLY A 43 1.611 15.621 -0.643 1.00 0.00 O ATOM 0 H GLY A 43 5.436 13.656 -1.384 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.861 13.442 -0.674 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.071 14.201 0.341 1.00 0.00 H new ATOM 677 N ALA A 44 3.586 16.664 -0.919 1.00 0.00 N ATOM 678 CA ALA A 44 2.993 17.991 -1.035 1.00 0.00 C ATOM 679 C ALA A 44 2.154 18.109 -2.303 1.00 0.00 C ATOM 680 O ALA A 44 1.145 18.812 -2.326 1.00 0.00 O ATOM 681 CB ALA A 44 4.079 19.057 -1.017 1.00 0.00 C ATOM 0 H ALA A 44 4.603 16.648 -0.993 1.00 0.00 H new ATOM 0 HA ALA A 44 2.334 18.144 -0.180 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.623 20.043 -1.104 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.634 18.996 -0.081 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.760 18.897 -1.853 1.00 0.00 H new ATOM 687 N GLU A 45 2.579 17.416 -3.355 1.00 0.00 N ATOM 688 CA GLU A 45 1.866 17.445 -4.627 1.00 0.00 C ATOM 689 C GLU A 45 0.468 16.852 -4.480 1.00 0.00 C ATOM 690 O GLU A 45 -0.522 17.465 -4.881 1.00 0.00 O ATOM 691 CB GLU A 45 2.649 16.676 -5.694 1.00 0.00 C ATOM 692 CG GLU A 45 4.094 17.127 -5.832 1.00 0.00 C ATOM 693 CD GLU A 45 4.244 18.339 -6.731 1.00 0.00 C ATOM 694 OE1 GLU A 45 3.410 19.262 -6.627 1.00 0.00 O ATOM 695 OE2 GLU A 45 5.195 18.362 -7.539 1.00 0.00 O ATOM 0 H GLU A 45 3.413 16.828 -3.352 1.00 0.00 H new ATOM 0 HA GLU A 45 1.770 18.486 -4.937 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.630 15.614 -5.451 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.148 16.792 -6.655 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.494 17.360 -4.845 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.690 16.307 -6.232 1.00 0.00 H new ATOM 702 N TRP A 46 0.395 15.658 -3.904 1.00 0.00 N ATOM 703 CA TRP A 46 -0.881 14.981 -3.706 1.00 0.00 C ATOM 704 C TRP A 46 -1.913 15.932 -3.110 1.00 0.00 C ATOM 705 O TRP A 46 -3.098 15.859 -3.434 1.00 0.00 O ATOM 706 CB TRP A 46 -0.702 13.767 -2.794 1.00 0.00 C ATOM 707 CG TRP A 46 -1.998 13.160 -2.352 1.00 0.00 C ATOM 708 CD1 TRP A 46 -2.538 13.203 -1.097 1.00 0.00 C ATOM 709 CD2 TRP A 46 -2.916 12.416 -3.160 1.00 0.00 C ATOM 710 NE1 TRP A 46 -3.737 12.532 -1.078 1.00 0.00 N ATOM 711 CE2 TRP A 46 -3.991 12.040 -2.331 1.00 0.00 C ATOM 712 CE3 TRP A 46 -2.937 12.034 -4.504 1.00 0.00 C ATOM 713 CZ2 TRP A 46 -5.072 11.300 -2.804 1.00 0.00 C ATOM 714 CZ3 TRP A 46 -4.009 11.299 -4.971 1.00 0.00 C ATOM 715 CH2 TRP A 46 -5.066 10.938 -4.124 1.00 0.00 C ATOM 0 H TRP A 46 1.205 15.138 -3.566 1.00 0.00 H new ATOM 0 HA TRP A 46 -1.241 14.645 -4.678 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -0.115 13.012 -3.317 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -0.129 14.063 -1.915 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -2.088 13.692 -0.246 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -4.340 12.419 -0.263 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -2.129 12.309 -5.166 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -5.887 11.022 -2.152 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -4.033 10.997 -6.008 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -5.891 10.364 -4.520 1.00 0.00 H new ATOM 726 N SER A 47 -1.457 16.824 -2.237 1.00 0.00 N ATOM 727 CA SER A 47 -2.342 17.787 -1.593 1.00 0.00 C ATOM 728 C SER A 47 -2.666 18.942 -2.535 1.00 0.00 C ATOM 729 O SER A 47 -3.704 19.592 -2.407 1.00 0.00 O ATOM 730 CB SER A 47 -1.701 18.324 -0.311 1.00 0.00 C ATOM 731 OG SER A 47 -2.625 19.098 0.435 1.00 0.00 O ATOM 0 H SER A 47 -0.479 16.900 -1.959 1.00 0.00 H new ATOM 0 HA SER A 47 -3.271 17.276 -1.340 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.344 17.493 0.297 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.832 18.932 -0.562 1.00 0.00 H new ATOM 0 HG SER A 47 -2.192 19.428 1.250 1.00 0.00 H new ATOM 737 N LYS A 48 -1.770 19.193 -3.483 1.00 0.00 N ATOM 738 CA LYS A 48 -1.958 20.268 -4.449 1.00 0.00 C ATOM 739 C LYS A 48 -2.545 19.733 -5.752 1.00 0.00 C ATOM 740 O LYS A 48 -2.601 20.443 -6.757 1.00 0.00 O ATOM 741 CB LYS A 48 -0.626 20.970 -4.728 1.00 0.00 C ATOM 742 CG LYS A 48 -0.024 21.639 -3.505 1.00 0.00 C ATOM 743 CD LYS A 48 1.300 22.311 -3.831 1.00 0.00 C ATOM 744 CE LYS A 48 2.458 21.327 -3.755 1.00 0.00 C ATOM 745 NZ LYS A 48 3.756 22.017 -3.520 1.00 0.00 N ATOM 0 H LYS A 48 -0.905 18.666 -3.603 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.659 20.986 -4.023 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.084 20.242 -5.120 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.776 21.719 -5.505 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.722 22.379 -3.114 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.127 20.897 -2.721 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.253 22.743 -4.831 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.473 23.133 -3.136 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.276 20.613 -2.952 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.512 20.757 -4.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.520 21.313 -3.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.942 22.680 -4.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.713 22.540 -2.622 1.00 0.00 H new ATOM 759 N LEU A 49 -2.982 18.478 -5.727 1.00 0.00 N ATOM 760 CA LEU A 49 -3.566 17.849 -6.906 1.00 0.00 C ATOM 761 C LEU A 49 -4.909 18.483 -7.253 1.00 0.00 C ATOM 762 O LEU A 49 -5.527 19.144 -6.419 1.00 0.00 O ATOM 763 CB LEU A 49 -3.743 16.348 -6.670 1.00 0.00 C ATOM 764 CG LEU A 49 -2.568 15.460 -7.080 1.00 0.00 C ATOM 765 CD1 LEU A 49 -2.896 13.995 -6.840 1.00 0.00 C ATOM 766 CD2 LEU A 49 -2.204 15.696 -8.538 1.00 0.00 C ATOM 0 H LEU A 49 -2.943 17.877 -4.904 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.887 18.002 -7.744 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.940 16.188 -5.610 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.629 16.017 -7.213 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.707 15.723 -6.465 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.048 13.379 -7.138 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.105 13.838 -5.782 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.771 13.717 -7.428 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.366 15.055 -8.812 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.061 15.462 -9.169 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.924 16.740 -8.679 1.00 0.00 H new ATOM 778 N GLN A 50 -5.354 18.274 -8.487 1.00 0.00 N ATOM 779 CA GLN A 50 -6.626 18.824 -8.943 1.00 0.00 C ATOM 780 C GLN A 50 -7.790 17.944 -8.503 1.00 0.00 C ATOM 781 O GLN A 50 -7.622 16.770 -8.172 1.00 0.00 O ATOM 782 CB GLN A 50 -6.626 18.968 -10.466 1.00 0.00 C ATOM 783 CG GLN A 50 -6.060 20.291 -10.954 1.00 0.00 C ATOM 784 CD GLN A 50 -5.508 20.207 -12.362 1.00 0.00 C ATOM 785 OE1 GLN A 50 -6.233 20.407 -13.338 1.00 0.00 O ATOM 786 NE2 GLN A 50 -4.219 19.910 -12.478 1.00 0.00 N ATOM 0 H GLN A 50 -4.854 17.729 -9.189 1.00 0.00 H new ATOM 0 HA GLN A 50 -6.750 19.808 -8.492 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.046 18.153 -10.899 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -7.647 18.863 -10.832 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.841 21.051 -10.919 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.270 20.615 -10.277 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -3.655 19.752 -11.643 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -3.793 19.840 -13.402 1.00 0.00 H new ATOM 795 N PRO A 51 -9.000 18.521 -8.497 1.00 0.00 N ATOM 796 CA PRO A 51 -10.217 17.806 -8.099 1.00 0.00 C ATOM 797 C PRO A 51 -10.622 16.742 -9.113 1.00 0.00 C ATOM 798 O PRO A 51 -11.649 16.083 -8.959 1.00 0.00 O ATOM 799 CB PRO A 51 -11.273 18.912 -8.035 1.00 0.00 C ATOM 800 CG PRO A 51 -10.776 19.966 -8.963 1.00 0.00 C ATOM 801 CD PRO A 51 -9.275 19.917 -8.879 1.00 0.00 C ATOM 0 HA PRO A 51 -10.085 17.268 -7.160 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -12.251 18.543 -8.343 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.382 19.297 -7.021 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -11.116 19.781 -9.982 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -11.151 20.948 -8.675 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -8.811 20.172 -9.832 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -8.891 20.619 -8.139 1.00 0.00 H new ATOM 809 N ALA A 52 -9.806 16.579 -10.150 1.00 0.00 N ATOM 810 CA ALA A 52 -10.078 15.591 -11.187 1.00 0.00 C ATOM 811 C ALA A 52 -9.031 14.482 -11.178 1.00 0.00 C ATOM 812 O ALA A 52 -9.353 13.312 -11.383 1.00 0.00 O ATOM 813 CB ALA A 52 -10.128 16.261 -12.553 1.00 0.00 C ATOM 0 H ALA A 52 -8.952 17.118 -10.294 1.00 0.00 H new ATOM 0 HA ALA A 52 -11.048 15.140 -10.979 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -10.332 15.512 -13.318 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -10.918 17.012 -12.561 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -9.170 16.739 -12.759 1.00 0.00 H new ATOM 819 N GLU A 53 -7.779 14.859 -10.940 1.00 0.00 N ATOM 820 CA GLU A 53 -6.686 13.894 -10.905 1.00 0.00 C ATOM 821 C GLU A 53 -6.704 13.097 -9.605 1.00 0.00 C ATOM 822 O GLU A 53 -6.685 11.866 -9.616 1.00 0.00 O ATOM 823 CB GLU A 53 -5.341 14.608 -11.061 1.00 0.00 C ATOM 824 CG GLU A 53 -5.247 15.463 -12.313 1.00 0.00 C ATOM 825 CD GLU A 53 -5.241 14.636 -13.584 1.00 0.00 C ATOM 826 OE1 GLU A 53 -4.647 13.538 -13.574 1.00 0.00 O ATOM 827 OE2 GLU A 53 -5.829 15.087 -14.590 1.00 0.00 O ATOM 0 H GLU A 53 -7.496 15.824 -10.769 1.00 0.00 H new ATOM 0 HA GLU A 53 -6.820 13.202 -11.736 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.170 15.238 -10.188 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.544 13.864 -11.079 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.088 16.156 -12.339 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.339 16.064 -12.271 1.00 0.00 H new ATOM 834 N LYS A 54 -6.738 13.808 -8.483 1.00 0.00 N ATOM 835 CA LYS A 54 -6.759 13.170 -7.172 1.00 0.00 C ATOM 836 C LYS A 54 -7.868 12.126 -7.093 1.00 0.00 C ATOM 837 O LYS A 54 -7.642 11.000 -6.651 1.00 0.00 O ATOM 838 CB LYS A 54 -6.953 14.218 -6.074 1.00 0.00 C ATOM 839 CG LYS A 54 -6.377 13.805 -4.730 1.00 0.00 C ATOM 840 CD LYS A 54 -7.043 14.550 -3.585 1.00 0.00 C ATOM 841 CE LYS A 54 -6.100 14.715 -2.404 1.00 0.00 C ATOM 842 NZ LYS A 54 -6.728 15.487 -1.296 1.00 0.00 N ATOM 0 H LYS A 54 -6.752 14.828 -8.455 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.802 12.671 -7.024 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.487 15.152 -6.388 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -8.018 14.417 -5.958 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.507 12.732 -4.592 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.305 14.000 -4.717 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.371 15.531 -3.930 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.934 14.009 -3.267 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.801 13.733 -2.038 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.193 15.223 -2.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.053 15.578 -0.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.991 16.434 -1.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.580 14.990 -0.966 1.00 0.00 H new ATOM 856 N GLN A 55 -9.066 12.507 -7.526 1.00 0.00 N ATOM 857 CA GLN A 55 -10.209 11.602 -7.504 1.00 0.00 C ATOM 858 C GLN A 55 -9.938 10.362 -8.350 1.00 0.00 C ATOM 859 O GLN A 55 -10.284 9.246 -7.961 1.00 0.00 O ATOM 860 CB GLN A 55 -11.462 12.317 -8.014 1.00 0.00 C ATOM 861 CG GLN A 55 -12.712 11.453 -7.978 1.00 0.00 C ATOM 862 CD GLN A 55 -13.344 11.398 -6.601 1.00 0.00 C ATOM 863 OE1 GLN A 55 -13.429 12.408 -5.904 1.00 0.00 O ATOM 864 NE2 GLN A 55 -13.791 10.212 -6.203 1.00 0.00 N ATOM 0 H GLN A 55 -9.270 13.435 -7.896 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.372 11.288 -6.473 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -11.630 13.211 -7.413 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -11.289 12.649 -9.038 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -13.438 11.842 -8.692 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -12.460 10.442 -8.298 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -13.699 9.401 -6.815 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -14.226 10.112 -5.286 1.00 0.00 H new ATOM 873 N ARG A 56 -9.317 10.565 -9.508 1.00 0.00 N ATOM 874 CA ARG A 56 -9.002 9.463 -10.409 1.00 0.00 C ATOM 875 C ARG A 56 -8.064 8.464 -9.737 1.00 0.00 C ATOM 876 O ARG A 56 -8.326 7.260 -9.729 1.00 0.00 O ATOM 877 CB ARG A 56 -8.362 9.994 -11.693 1.00 0.00 C ATOM 878 CG ARG A 56 -8.140 8.924 -12.750 1.00 0.00 C ATOM 879 CD ARG A 56 -7.122 9.370 -13.787 1.00 0.00 C ATOM 880 NE ARG A 56 -6.748 8.284 -14.689 1.00 0.00 N ATOM 881 CZ ARG A 56 -7.483 7.907 -15.730 1.00 0.00 C ATOM 882 NH1 ARG A 56 -8.625 8.526 -15.999 1.00 0.00 N ATOM 883 NH2 ARG A 56 -7.077 6.909 -16.505 1.00 0.00 N ATOM 0 H ARG A 56 -9.022 11.482 -9.844 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.932 8.952 -10.658 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.996 10.777 -12.108 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.405 10.455 -11.448 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.797 8.006 -12.273 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.085 8.695 -13.242 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.533 10.197 -14.366 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -6.232 9.745 -13.283 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.875 7.788 -14.510 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -8.941 9.294 -15.406 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -9.187 8.234 -16.799 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.200 6.430 -16.302 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.642 6.621 -17.304 1.00 0.00 H new ATOM 897 N TYR A 57 -6.972 8.970 -9.175 1.00 0.00 N ATOM 898 CA TYR A 57 -5.995 8.121 -8.504 1.00 0.00 C ATOM 899 C TYR A 57 -6.670 7.228 -7.466 1.00 0.00 C ATOM 900 O TYR A 57 -6.314 6.059 -7.311 1.00 0.00 O ATOM 901 CB TYR A 57 -4.919 8.977 -7.834 1.00 0.00 C ATOM 902 CG TYR A 57 -3.899 9.532 -8.801 1.00 0.00 C ATOM 903 CD1 TYR A 57 -2.956 8.706 -9.398 1.00 0.00 C ATOM 904 CD2 TYR A 57 -3.878 10.885 -9.118 1.00 0.00 C ATOM 905 CE1 TYR A 57 -2.021 9.209 -10.281 1.00 0.00 C ATOM 906 CE2 TYR A 57 -2.947 11.398 -10.002 1.00 0.00 C ATOM 907 CZ TYR A 57 -2.021 10.555 -10.580 1.00 0.00 C ATOM 908 OH TYR A 57 -1.092 11.061 -11.461 1.00 0.00 O ATOM 0 H TYR A 57 -6.741 9.964 -9.171 1.00 0.00 H new ATOM 0 HA TYR A 57 -5.528 7.485 -9.256 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -5.398 9.804 -7.310 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -4.406 8.378 -7.082 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -2.954 7.651 -9.168 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -4.602 11.547 -8.666 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -1.294 8.552 -10.735 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -2.945 12.452 -10.238 1.00 0.00 H new ATOM 0 HH TYR A 57 -1.230 12.026 -11.563 1.00 0.00 H new ATOM 918 N LEU A 58 -7.646 7.788 -6.759 1.00 0.00 N ATOM 919 CA LEU A 58 -8.372 7.044 -5.737 1.00 0.00 C ATOM 920 C LEU A 58 -9.186 5.914 -6.359 1.00 0.00 C ATOM 921 O LEU A 58 -8.927 4.737 -6.108 1.00 0.00 O ATOM 922 CB LEU A 58 -9.294 7.981 -4.955 1.00 0.00 C ATOM 923 CG LEU A 58 -8.613 9.139 -4.225 1.00 0.00 C ATOM 924 CD1 LEU A 58 -9.644 10.143 -3.735 1.00 0.00 C ATOM 925 CD2 LEU A 58 -7.777 8.620 -3.065 1.00 0.00 C ATOM 0 H LEU A 58 -7.952 8.754 -6.875 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.643 6.608 -5.054 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -10.028 8.395 -5.646 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -9.844 7.389 -4.223 1.00 0.00 H new ATOM 0 HG LEU A 58 -7.950 9.645 -4.927 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -9.140 10.959 -3.218 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.199 10.539 -4.585 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -10.334 9.651 -3.050 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -7.300 9.458 -2.557 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -8.419 8.088 -2.363 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.012 7.941 -3.443 1.00 0.00 H new ATOM 937 N ASP A 59 -10.170 6.281 -7.174 1.00 0.00 N ATOM 938 CA ASP A 59 -11.020 5.298 -7.836 1.00 0.00 C ATOM 939 C ASP A 59 -10.184 4.317 -8.650 1.00 0.00 C ATOM 940 O ASP A 59 -10.620 3.201 -8.932 1.00 0.00 O ATOM 941 CB ASP A 59 -12.034 5.998 -8.743 1.00 0.00 C ATOM 942 CG ASP A 59 -13.272 5.156 -8.986 1.00 0.00 C ATOM 943 OD1 ASP A 59 -13.245 4.314 -9.908 1.00 0.00 O ATOM 944 OD2 ASP A 59 -14.265 5.339 -8.253 1.00 0.00 O ATOM 0 H ASP A 59 -10.398 7.251 -7.392 1.00 0.00 H new ATOM 0 HA ASP A 59 -11.555 4.741 -7.067 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -12.326 6.947 -8.292 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -11.563 6.230 -9.698 1.00 0.00 H new ATOM 949 N GLU A 60 -8.981 4.740 -9.025 1.00 0.00 N ATOM 950 CA GLU A 60 -8.085 3.897 -9.808 1.00 0.00 C ATOM 951 C GLU A 60 -7.644 2.677 -9.005 1.00 0.00 C ATOM 952 O GLU A 60 -7.587 1.565 -9.527 1.00 0.00 O ATOM 953 CB GLU A 60 -6.860 4.697 -10.257 1.00 0.00 C ATOM 954 CG GLU A 60 -7.070 5.455 -11.557 1.00 0.00 C ATOM 955 CD GLU A 60 -6.759 4.614 -12.780 1.00 0.00 C ATOM 956 OE1 GLU A 60 -5.776 3.846 -12.738 1.00 0.00 O ATOM 957 OE2 GLU A 60 -7.502 4.723 -13.778 1.00 0.00 O ATOM 0 H GLU A 60 -8.605 5.661 -8.799 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.628 3.553 -10.688 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.592 5.405 -9.473 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.016 4.017 -10.375 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.103 5.798 -11.610 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.438 6.343 -11.561 1.00 0.00 H new ATOM 964 N ALA A 61 -7.332 2.896 -7.731 1.00 0.00 N ATOM 965 CA ALA A 61 -6.897 1.816 -6.855 1.00 0.00 C ATOM 966 C ALA A 61 -8.079 0.964 -6.406 1.00 0.00 C ATOM 967 O ALA A 61 -7.990 -0.262 -6.361 1.00 0.00 O ATOM 968 CB ALA A 61 -6.161 2.379 -5.648 1.00 0.00 C ATOM 0 H ALA A 61 -7.373 3.812 -7.284 1.00 0.00 H new ATOM 0 HA ALA A 61 -6.215 1.178 -7.417 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -5.842 1.561 -5.002 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -5.288 2.939 -5.983 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.825 3.041 -5.093 1.00 0.00 H new ATOM 974 N GLU A 62 -9.185 1.623 -6.075 1.00 0.00 N ATOM 975 CA GLU A 62 -10.385 0.924 -5.627 1.00 0.00 C ATOM 976 C GLU A 62 -10.655 -0.302 -6.495 1.00 0.00 C ATOM 977 O GLU A 62 -10.800 -1.415 -5.989 1.00 0.00 O ATOM 978 CB GLU A 62 -11.592 1.863 -5.663 1.00 0.00 C ATOM 979 CG GLU A 62 -11.523 2.983 -4.638 1.00 0.00 C ATOM 980 CD GLU A 62 -12.847 3.702 -4.469 1.00 0.00 C ATOM 981 OE1 GLU A 62 -13.570 3.856 -5.476 1.00 0.00 O ATOM 982 OE2 GLU A 62 -13.160 4.111 -3.331 1.00 0.00 O ATOM 0 H GLU A 62 -9.275 2.638 -6.108 1.00 0.00 H new ATOM 0 HA GLU A 62 -10.221 0.594 -4.601 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -11.674 2.298 -6.659 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -12.499 1.282 -5.494 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.212 2.573 -3.677 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -10.760 3.701 -4.940 1.00 0.00 H new ATOM 989 N LYS A 63 -10.722 -0.090 -7.805 1.00 0.00 N ATOM 990 CA LYS A 63 -10.974 -1.177 -8.744 1.00 0.00 C ATOM 991 C LYS A 63 -10.166 -2.417 -8.372 1.00 0.00 C ATOM 992 O LYS A 63 -10.688 -3.530 -8.367 1.00 0.00 O ATOM 993 CB LYS A 63 -10.628 -0.737 -10.168 1.00 0.00 C ATOM 994 CG LYS A 63 -11.717 0.088 -10.832 1.00 0.00 C ATOM 995 CD LYS A 63 -11.415 0.332 -12.301 1.00 0.00 C ATOM 996 CE LYS A 63 -10.296 1.348 -12.478 1.00 0.00 C ATOM 997 NZ LYS A 63 -9.516 1.104 -13.723 1.00 0.00 N ATOM 0 H LYS A 63 -10.605 0.825 -8.241 1.00 0.00 H new ATOM 0 HA LYS A 63 -12.033 -1.428 -8.695 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -9.706 -0.156 -10.146 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.433 -1.621 -10.775 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -12.673 -0.426 -10.737 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -11.816 1.043 -10.317 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -11.134 -0.607 -12.777 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -12.314 0.688 -12.804 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -10.719 2.352 -12.505 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.628 1.306 -11.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.764 1.817 -13.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.091 0.155 -13.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.148 1.169 -14.547 1.00 0.00 H new ATOM 1011 N GLU A 64 -8.889 -2.213 -8.060 1.00 0.00 N ATOM 1012 CA GLU A 64 -8.011 -3.315 -7.687 1.00 0.00 C ATOM 1013 C GLU A 64 -8.420 -3.904 -6.340 1.00 0.00 C ATOM 1014 O GLU A 64 -8.244 -5.098 -6.092 1.00 0.00 O ATOM 1015 CB GLU A 64 -6.558 -2.840 -7.628 1.00 0.00 C ATOM 1016 CG GLU A 64 -6.002 -2.412 -8.975 1.00 0.00 C ATOM 1017 CD GLU A 64 -6.030 -3.529 -10.000 1.00 0.00 C ATOM 1018 OE1 GLU A 64 -5.160 -4.423 -9.928 1.00 0.00 O ATOM 1019 OE2 GLU A 64 -6.922 -3.510 -10.873 1.00 0.00 O ATOM 0 H GLU A 64 -8.441 -1.297 -8.058 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.102 -4.092 -8.446 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.486 -2.004 -6.933 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.938 -3.642 -7.227 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.578 -1.566 -9.349 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.976 -2.067 -8.847 1.00 0.00 H new ATOM 1026 N LYS A 65 -8.966 -3.060 -5.473 1.00 0.00 N ATOM 1027 CA LYS A 65 -9.402 -3.495 -4.151 1.00 0.00 C ATOM 1028 C LYS A 65 -10.460 -4.587 -4.259 1.00 0.00 C ATOM 1029 O LYS A 65 -10.341 -5.643 -3.637 1.00 0.00 O ATOM 1030 CB LYS A 65 -9.957 -2.309 -3.358 1.00 0.00 C ATOM 1031 CG LYS A 65 -9.936 -2.520 -1.854 1.00 0.00 C ATOM 1032 CD LYS A 65 -10.636 -1.387 -1.122 1.00 0.00 C ATOM 1033 CE LYS A 65 -11.152 -1.835 0.236 1.00 0.00 C ATOM 1034 NZ LYS A 65 -10.134 -1.647 1.306 1.00 0.00 N ATOM 0 H LYS A 65 -9.118 -2.069 -5.662 1.00 0.00 H new ATOM 0 HA LYS A 65 -8.537 -3.902 -3.627 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -9.377 -1.418 -3.600 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -10.982 -2.118 -3.675 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -10.421 -3.466 -1.612 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.904 -2.594 -1.510 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -9.945 -0.554 -0.993 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -11.467 -1.021 -1.725 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -12.051 -1.272 0.487 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -11.438 -2.886 0.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -10.524 -1.964 2.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -9.286 -2.205 1.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -9.880 -0.641 1.370 1.00 0.00 H new ATOM 1048 N GLN A 66 -11.494 -4.328 -5.053 1.00 0.00 N ATOM 1049 CA GLN A 66 -12.572 -5.290 -5.243 1.00 0.00 C ATOM 1050 C GLN A 66 -12.017 -6.694 -5.461 1.00 0.00 C ATOM 1051 O GLN A 66 -12.599 -7.678 -5.006 1.00 0.00 O ATOM 1052 CB GLN A 66 -13.445 -4.883 -6.432 1.00 0.00 C ATOM 1053 CG GLN A 66 -14.031 -3.486 -6.306 1.00 0.00 C ATOM 1054 CD GLN A 66 -15.352 -3.472 -5.564 1.00 0.00 C ATOM 1055 OE1 GLN A 66 -16.252 -4.258 -5.860 1.00 0.00 O ATOM 1056 NE2 GLN A 66 -15.475 -2.575 -4.592 1.00 0.00 N ATOM 0 H GLN A 66 -11.608 -3.459 -5.575 1.00 0.00 H new ATOM 0 HA GLN A 66 -13.182 -5.297 -4.340 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -12.851 -4.938 -7.344 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -14.258 -5.601 -6.538 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -13.320 -2.844 -5.786 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -14.173 -3.065 -7.301 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -14.703 -1.943 -4.381 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -16.342 -2.518 -4.057 1.00 0.00 H new ATOM 1065 N GLN A 67 -10.890 -6.776 -6.159 1.00 0.00 N ATOM 1066 CA GLN A 67 -10.258 -8.061 -6.438 1.00 0.00 C ATOM 1067 C GLN A 67 -9.684 -8.673 -5.165 1.00 0.00 C ATOM 1068 O GLN A 67 -10.171 -9.695 -4.681 1.00 0.00 O ATOM 1069 CB GLN A 67 -9.150 -7.892 -7.481 1.00 0.00 C ATOM 1070 CG GLN A 67 -8.359 -9.164 -7.739 1.00 0.00 C ATOM 1071 CD GLN A 67 -7.022 -8.895 -8.401 1.00 0.00 C ATOM 1072 OE1 GLN A 67 -6.684 -9.508 -9.414 1.00 0.00 O ATOM 1073 NE2 GLN A 67 -6.254 -7.974 -7.831 1.00 0.00 N ATOM 0 H GLN A 67 -10.396 -5.970 -6.542 1.00 0.00 H new ATOM 0 HA GLN A 67 -11.019 -8.734 -6.832 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -9.593 -7.553 -8.418 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -8.467 -7.110 -7.150 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -8.195 -9.683 -6.795 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -8.946 -9.830 -8.371 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -6.575 -7.491 -6.992 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -5.343 -7.750 -8.232 1.00 0.00 H new ATOM 1082 N TYR A 68 -8.646 -8.042 -4.627 1.00 0.00 N ATOM 1083 CA TYR A 68 -8.004 -8.526 -3.410 1.00 0.00 C ATOM 1084 C TYR A 68 -9.043 -8.997 -2.397 1.00 0.00 C ATOM 1085 O TYR A 68 -8.892 -10.053 -1.780 1.00 0.00 O ATOM 1086 CB TYR A 68 -7.136 -7.428 -2.796 1.00 0.00 C ATOM 1087 CG TYR A 68 -6.995 -7.537 -1.294 1.00 0.00 C ATOM 1088 CD1 TYR A 68 -8.002 -7.091 -0.447 1.00 0.00 C ATOM 1089 CD2 TYR A 68 -5.854 -8.088 -0.722 1.00 0.00 C ATOM 1090 CE1 TYR A 68 -7.877 -7.188 0.925 1.00 0.00 C ATOM 1091 CE2 TYR A 68 -5.722 -8.191 0.650 1.00 0.00 C ATOM 1092 CZ TYR A 68 -6.735 -7.739 1.468 1.00 0.00 C ATOM 1093 OH TYR A 68 -6.608 -7.839 2.836 1.00 0.00 O ATOM 0 H TYR A 68 -8.231 -7.194 -5.014 1.00 0.00 H new ATOM 0 HA TYR A 68 -7.372 -9.374 -3.674 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -6.145 -7.464 -3.249 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -7.565 -6.457 -3.043 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -8.898 -6.661 -0.869 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -5.058 -8.441 -1.360 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -8.669 -6.835 1.569 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -4.830 -8.623 1.079 1.00 0.00 H new ATOM 0 HH TYR A 68 -5.746 -8.251 3.055 1.00 0.00 H new ATOM 1103 N LEU A 69 -10.097 -8.207 -2.229 1.00 0.00 N ATOM 1104 CA LEU A 69 -11.162 -8.541 -1.291 1.00 0.00 C ATOM 1105 C LEU A 69 -11.634 -9.979 -1.492 1.00 0.00 C ATOM 1106 O LEU A 69 -11.586 -10.794 -0.571 1.00 0.00 O ATOM 1107 CB LEU A 69 -12.339 -7.579 -1.461 1.00 0.00 C ATOM 1108 CG LEU A 69 -12.290 -6.304 -0.617 1.00 0.00 C ATOM 1109 CD1 LEU A 69 -13.277 -5.276 -1.146 1.00 0.00 C ATOM 1110 CD2 LEU A 69 -12.578 -6.620 0.844 1.00 0.00 C ATOM 0 H LEU A 69 -10.237 -7.330 -2.731 1.00 0.00 H new ATOM 0 HA LEU A 69 -10.765 -8.445 -0.280 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.401 -7.294 -2.511 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -13.258 -8.114 -1.222 1.00 0.00 H new ATOM 0 HG LEU A 69 -11.287 -5.884 -0.686 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -13.228 -4.376 -0.533 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.026 -5.027 -2.177 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -14.286 -5.687 -1.107 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -12.539 -5.701 1.429 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -13.569 -7.064 0.932 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -11.832 -7.321 1.219 1.00 0.00 H new ATOM 1122 N LYS A 70 -12.088 -10.283 -2.703 1.00 0.00 N ATOM 1123 CA LYS A 70 -12.565 -11.622 -3.028 1.00 0.00 C ATOM 1124 C LYS A 70 -11.552 -12.679 -2.599 1.00 0.00 C ATOM 1125 O LYS A 70 -11.799 -13.446 -1.669 1.00 0.00 O ATOM 1126 CB LYS A 70 -12.836 -11.739 -4.529 1.00 0.00 C ATOM 1127 CG LYS A 70 -14.004 -10.892 -5.005 1.00 0.00 C ATOM 1128 CD LYS A 70 -14.193 -10.996 -6.509 1.00 0.00 C ATOM 1129 CE LYS A 70 -15.588 -10.556 -6.927 1.00 0.00 C ATOM 1130 NZ LYS A 70 -15.833 -9.122 -6.616 1.00 0.00 N ATOM 0 H LYS A 70 -12.136 -9.620 -3.476 1.00 0.00 H new ATOM 0 HA LYS A 70 -13.494 -11.792 -2.484 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -11.939 -11.446 -5.075 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -13.032 -12.783 -4.774 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -14.916 -11.211 -4.500 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -13.835 -9.851 -4.730 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.449 -10.379 -7.014 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -14.024 -12.025 -6.828 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -15.716 -10.723 -7.997 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -16.330 -11.170 -6.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -16.768 -8.843 -6.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -15.803 -8.980 -5.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -15.100 -8.539 -7.068 1.00 0.00 H new ATOM 1144 N GLU A 71 -10.412 -12.711 -3.283 1.00 0.00 N ATOM 1145 CA GLU A 71 -9.363 -13.675 -2.972 1.00 0.00 C ATOM 1146 C GLU A 71 -9.296 -13.940 -1.470 1.00 0.00 C ATOM 1147 O GLU A 71 -9.456 -15.076 -1.021 1.00 0.00 O ATOM 1148 CB GLU A 71 -8.009 -13.167 -3.471 1.00 0.00 C ATOM 1149 CG GLU A 71 -7.686 -13.593 -4.893 1.00 0.00 C ATOM 1150 CD GLU A 71 -7.309 -15.059 -4.992 1.00 0.00 C ATOM 1151 OE1 GLU A 71 -6.369 -15.477 -4.285 1.00 0.00 O ATOM 1152 OE2 GLU A 71 -7.954 -15.785 -5.775 1.00 0.00 O ATOM 0 H GLU A 71 -10.192 -12.081 -4.055 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.602 -14.610 -3.479 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -7.996 -12.079 -3.415 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.226 -13.530 -2.805 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -8.548 -13.400 -5.531 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -6.866 -12.984 -5.273 1.00 0.00 H new ATOM 1159 N LEU A 72 -9.059 -12.884 -0.699 1.00 0.00 N ATOM 1160 CA LEU A 72 -8.970 -13.002 0.753 1.00 0.00 C ATOM 1161 C LEU A 72 -9.857 -14.134 1.263 1.00 0.00 C ATOM 1162 O LEU A 72 -9.367 -15.202 1.629 1.00 0.00 O ATOM 1163 CB LEU A 72 -9.373 -11.684 1.415 1.00 0.00 C ATOM 1164 CG LEU A 72 -9.251 -11.634 2.939 1.00 0.00 C ATOM 1165 CD1 LEU A 72 -7.856 -12.053 3.376 1.00 0.00 C ATOM 1166 CD2 LEU A 72 -9.578 -10.241 3.456 1.00 0.00 C ATOM 0 H LEU A 72 -8.925 -11.937 -1.054 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.937 -13.231 1.013 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.760 -10.887 0.995 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -10.407 -11.466 1.146 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.969 -12.335 3.365 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.787 -12.011 4.463 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.659 -13.071 3.039 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.120 -11.378 2.940 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -9.486 -10.225 4.542 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -8.885 -9.520 3.022 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -10.598 -9.979 3.175 1.00 0.00 H new