USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 611 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 8 SER OG : rot 121:sc= -0.278 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -164:sc=-0.00398 (180deg=-0.119) USER MOD Single : A 19 MET CE :methyl -123:sc= 0 (180deg=-0.00843) USER MOD Single : A 23 LYS NZ :NH3+ -117:sc= -0.123 (180deg=-0.985) USER MOD Single : A 24 ASN : amide:sc= -0.99 K(o=-0.99,f=-1.7!) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 31 ASN : amide:sc= -2.1! C(o=-2.1!,f=-5.7!) USER MOD Single : A 33 SER OG : rot 180:sc= -0.0326 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 74:sc= 1.04 USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 49 GLN : amide:sc= -0.148 K(o=-0.15,f=-1.4) USER MOD Single : A 73 GLN : amide:sc= -0.482 K(o=-0.48,f=-1.1) USER MOD Single : A 74 THR OG1 : rot 71:sc= 1.21 USER MOD Single : A 77 THR OG1 : rot 77:sc= 0.43 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00861) USER MOD ----------------------------------------------------------------- ATOM 66 N SER A 8 5.895 15.731 -1.056 1.00 0.00 N ATOM 67 CA SER A 8 4.925 15.041 -0.214 1.00 0.00 C ATOM 68 C SER A 8 3.891 14.311 -1.065 1.00 0.00 C ATOM 69 O SER A 8 3.670 13.111 -0.900 1.00 0.00 O ATOM 70 CB SER A 8 4.226 16.036 0.714 1.00 0.00 C ATOM 71 OG SER A 8 3.698 15.383 1.856 1.00 0.00 O ATOM 0 HA SER A 8 5.460 14.306 0.388 1.00 0.00 H new ATOM 0 HB2 SER A 8 4.932 16.806 1.025 1.00 0.00 H new ATOM 0 HB3 SER A 8 3.423 16.539 0.175 1.00 0.00 H new ATOM 0 HG SER A 8 4.094 15.768 2.665 1.00 0.00 H new ATOM 77 N ILE A 9 3.259 15.043 -1.977 1.00 0.00 N ATOM 78 CA ILE A 9 2.250 14.465 -2.855 1.00 0.00 C ATOM 79 C ILE A 9 2.862 13.426 -3.789 1.00 0.00 C ATOM 80 O ILE A 9 2.341 12.320 -3.932 1.00 0.00 O ATOM 81 CB ILE A 9 1.551 15.548 -3.699 1.00 0.00 C ATOM 82 CG1 ILE A 9 0.875 16.576 -2.790 1.00 0.00 C ATOM 83 CG2 ILE A 9 0.536 14.914 -4.639 1.00 0.00 C ATOM 84 CD1 ILE A 9 -0.183 15.981 -1.887 1.00 0.00 C ATOM 0 H ILE A 9 3.428 16.038 -2.127 1.00 0.00 H new ATOM 0 HA ILE A 9 1.513 13.983 -2.213 1.00 0.00 H new ATOM 0 HB ILE A 9 2.302 16.061 -4.300 1.00 0.00 H new ATOM 0 HG12 ILE A 9 1.634 17.061 -2.176 1.00 0.00 H new ATOM 0 HG13 ILE A 9 0.421 17.351 -3.407 1.00 0.00 H new ATOM 0 HG21 ILE A 9 0.051 15.692 -5.228 1.00 0.00 H new ATOM 0 HG22 ILE A 9 1.043 14.217 -5.306 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -0.214 14.379 -4.057 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -0.620 16.767 -1.271 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -0.962 15.521 -2.494 1.00 0.00 H new ATOM 0 HD13 ILE A 9 0.270 15.226 -1.244 1.00 0.00 H new ATOM 96 N LEU A 10 3.973 13.789 -4.421 1.00 0.00 N ATOM 97 CA LEU A 10 4.660 12.888 -5.340 1.00 0.00 C ATOM 98 C LEU A 10 5.103 11.615 -4.626 1.00 0.00 C ATOM 99 O LEU A 10 5.001 10.517 -5.170 1.00 0.00 O ATOM 100 CB LEU A 10 5.870 13.587 -5.961 1.00 0.00 C ATOM 101 CG LEU A 10 5.581 14.488 -7.163 1.00 0.00 C ATOM 102 CD1 LEU A 10 6.791 15.350 -7.485 1.00 0.00 C ATOM 103 CD2 LEU A 10 5.182 13.654 -8.371 1.00 0.00 C ATOM 0 H LEU A 10 4.417 14.701 -4.314 1.00 0.00 H new ATOM 0 HA LEU A 10 3.962 12.614 -6.131 1.00 0.00 H new ATOM 0 HB2 LEU A 10 6.353 14.187 -5.190 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.587 12.825 -6.267 1.00 0.00 H new ATOM 0 HG LEU A 10 4.749 15.145 -6.909 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.568 15.985 -8.343 1.00 0.00 H new ATOM 0 HD12 LEU A 10 7.032 15.974 -6.625 1.00 0.00 H new ATOM 0 HD13 LEU A 10 7.642 14.710 -7.719 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.980 14.312 -9.217 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.993 12.973 -8.627 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.286 13.079 -8.136 1.00 0.00 H new ATOM 115 N LYS A 11 5.595 11.773 -3.401 1.00 0.00 N ATOM 116 CA LYS A 11 6.051 10.637 -2.608 1.00 0.00 C ATOM 117 C LYS A 11 4.886 9.721 -2.247 1.00 0.00 C ATOM 118 O LYS A 11 4.958 8.506 -2.435 1.00 0.00 O ATOM 119 CB LYS A 11 6.745 11.124 -1.334 1.00 0.00 C ATOM 120 CG LYS A 11 6.785 10.084 -0.228 1.00 0.00 C ATOM 121 CD LYS A 11 7.951 10.319 0.717 1.00 0.00 C ATOM 122 CE LYS A 11 9.263 9.842 0.114 1.00 0.00 C ATOM 123 NZ LYS A 11 10.282 9.555 1.161 1.00 0.00 N ATOM 0 H LYS A 11 5.688 12.676 -2.936 1.00 0.00 H new ATOM 0 HA LYS A 11 6.762 10.070 -3.208 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.765 11.423 -1.577 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.231 12.013 -0.967 1.00 0.00 H new ATOM 0 HG2 LYS A 11 5.850 10.111 0.332 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.865 9.089 -0.666 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.022 11.381 0.951 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.770 9.797 1.656 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.086 8.943 -0.477 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.647 10.601 -0.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.162 9.233 0.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 10.470 10.419 1.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 9.927 8.813 1.797 1.00 0.00 H new ATOM 137 N ILE A 12 3.814 10.312 -1.730 1.00 0.00 N ATOM 138 CA ILE A 12 2.632 9.550 -1.346 1.00 0.00 C ATOM 139 C ILE A 12 1.996 8.876 -2.556 1.00 0.00 C ATOM 140 O ILE A 12 1.527 7.741 -2.472 1.00 0.00 O ATOM 141 CB ILE A 12 1.584 10.444 -0.659 1.00 0.00 C ATOM 142 CG1 ILE A 12 2.170 11.074 0.606 1.00 0.00 C ATOM 143 CG2 ILE A 12 0.337 9.639 -0.328 1.00 0.00 C ATOM 144 CD1 ILE A 12 1.462 12.341 1.033 1.00 0.00 C ATOM 0 H ILE A 12 3.740 11.316 -1.567 1.00 0.00 H new ATOM 0 HA ILE A 12 2.963 8.787 -0.641 1.00 0.00 H new ATOM 0 HB ILE A 12 1.305 11.244 -1.344 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.123 10.349 1.419 1.00 0.00 H new ATOM 0 HG13 ILE A 12 3.224 11.295 0.437 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.395 10.285 0.157 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -0.089 9.234 -1.246 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.600 8.820 0.342 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.930 12.733 1.936 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.532 13.083 0.237 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.413 12.122 1.234 1.00 0.00 H new ATOM 156 N GLU A 13 1.985 9.582 -3.683 1.00 0.00 N ATOM 157 CA GLU A 13 1.406 9.051 -4.912 1.00 0.00 C ATOM 158 C GLU A 13 1.868 7.618 -5.155 1.00 0.00 C ATOM 159 O GLU A 13 1.061 6.688 -5.180 1.00 0.00 O ATOM 160 CB GLU A 13 1.786 9.932 -6.103 1.00 0.00 C ATOM 161 CG GLU A 13 0.803 11.059 -6.366 1.00 0.00 C ATOM 162 CD GLU A 13 0.906 11.605 -7.777 1.00 0.00 C ATOM 163 OE1 GLU A 13 0.919 10.797 -8.728 1.00 0.00 O ATOM 164 OE2 GLU A 13 0.974 12.843 -7.930 1.00 0.00 O ATOM 0 H GLU A 13 2.370 10.522 -3.770 1.00 0.00 H new ATOM 0 HA GLU A 13 0.321 9.050 -4.803 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.774 10.357 -5.929 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.859 9.310 -6.995 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -0.211 10.699 -6.193 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.981 11.865 -5.654 1.00 0.00 H new ATOM 171 N LYS A 14 3.174 7.446 -5.336 1.00 0.00 N ATOM 172 CA LYS A 14 3.746 6.127 -5.577 1.00 0.00 C ATOM 173 C LYS A 14 3.162 5.096 -4.616 1.00 0.00 C ATOM 174 O LYS A 14 2.606 4.082 -5.040 1.00 0.00 O ATOM 175 CB LYS A 14 5.268 6.174 -5.428 1.00 0.00 C ATOM 176 CG LYS A 14 5.950 7.090 -6.430 1.00 0.00 C ATOM 177 CD LYS A 14 7.285 7.593 -5.907 1.00 0.00 C ATOM 178 CE LYS A 14 7.717 8.867 -6.617 1.00 0.00 C ATOM 179 NZ LYS A 14 9.132 9.218 -6.313 1.00 0.00 N ATOM 0 H LYS A 14 3.856 8.204 -5.320 1.00 0.00 H new ATOM 0 HA LYS A 14 3.495 5.831 -6.596 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.516 6.504 -4.419 1.00 0.00 H new ATOM 0 HB3 LYS A 14 5.667 5.166 -5.540 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.104 6.555 -7.367 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.301 7.938 -6.649 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.210 7.780 -4.836 1.00 0.00 H new ATOM 0 HD3 LYS A 14 8.044 6.823 -6.044 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.597 8.742 -7.693 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.066 9.689 -6.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.389 10.092 -6.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 9.242 9.362 -5.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 9.756 8.445 -6.622 1.00 0.00 H new ATOM 193 N VAL A 15 3.291 5.361 -3.320 1.00 0.00 N ATOM 194 CA VAL A 15 2.774 4.458 -2.299 1.00 0.00 C ATOM 195 C VAL A 15 1.469 3.810 -2.749 1.00 0.00 C ATOM 196 O VAL A 15 1.240 2.623 -2.515 1.00 0.00 O ATOM 197 CB VAL A 15 2.537 5.193 -0.967 1.00 0.00 C ATOM 198 CG1 VAL A 15 1.973 4.241 0.076 1.00 0.00 C ATOM 199 CG2 VAL A 15 3.828 5.832 -0.475 1.00 0.00 C ATOM 0 H VAL A 15 3.750 6.195 -2.952 1.00 0.00 H new ATOM 0 HA VAL A 15 3.528 3.685 -2.149 1.00 0.00 H new ATOM 0 HB VAL A 15 1.806 5.984 -1.134 1.00 0.00 H new ATOM 0 HG11 VAL A 15 1.812 4.779 1.010 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.025 3.835 -0.277 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.677 3.426 0.243 1.00 0.00 H new ATOM 0 HG21 VAL A 15 3.643 6.347 0.467 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.582 5.059 -0.324 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.185 6.548 -1.216 1.00 0.00 H new ATOM 209 N LEU A 16 0.616 4.598 -3.395 1.00 0.00 N ATOM 210 CA LEU A 16 -0.667 4.101 -3.879 1.00 0.00 C ATOM 211 C LEU A 16 -0.530 3.510 -5.278 1.00 0.00 C ATOM 212 O LEU A 16 -0.945 2.379 -5.529 1.00 0.00 O ATOM 213 CB LEU A 16 -1.701 5.229 -3.888 1.00 0.00 C ATOM 214 CG LEU A 16 -2.078 5.806 -2.523 1.00 0.00 C ATOM 215 CD1 LEU A 16 -2.793 7.138 -2.685 1.00 0.00 C ATOM 216 CD2 LEU A 16 -2.945 4.823 -1.749 1.00 0.00 C ATOM 0 H LEU A 16 0.790 5.583 -3.595 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.002 3.313 -3.204 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.320 6.039 -4.510 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.608 4.860 -4.367 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.162 5.976 -1.957 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.053 7.533 -1.703 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.138 7.843 -3.198 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.701 6.995 -3.271 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.204 5.250 -0.780 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.857 4.621 -2.311 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.397 3.893 -1.600 1.00 0.00 H new ATOM 228 N LYS A 17 0.057 4.283 -6.186 1.00 0.00 N ATOM 229 CA LYS A 17 0.253 3.835 -7.561 1.00 0.00 C ATOM 230 C LYS A 17 0.624 2.356 -7.603 1.00 0.00 C ATOM 231 O LYS A 17 -0.017 1.566 -8.297 1.00 0.00 O ATOM 232 CB LYS A 17 1.345 4.665 -8.237 1.00 0.00 C ATOM 233 CG LYS A 17 1.509 4.365 -9.717 1.00 0.00 C ATOM 234 CD LYS A 17 2.402 5.387 -10.399 1.00 0.00 C ATOM 235 CE LYS A 17 3.073 4.805 -11.634 1.00 0.00 C ATOM 236 NZ LYS A 17 4.154 3.845 -11.278 1.00 0.00 N ATOM 0 H LYS A 17 0.405 5.222 -5.995 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.685 3.972 -8.099 1.00 0.00 H new ATOM 0 HB2 LYS A 17 1.115 5.723 -8.113 1.00 0.00 H new ATOM 0 HB3 LYS A 17 2.293 4.484 -7.731 1.00 0.00 H new ATOM 0 HG2 LYS A 17 1.934 3.369 -9.842 1.00 0.00 H new ATOM 0 HG3 LYS A 17 0.531 4.357 -10.198 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.810 6.258 -10.681 1.00 0.00 H new ATOM 0 HD3 LYS A 17 3.163 5.732 -9.699 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.327 4.301 -12.249 1.00 0.00 H new ATOM 0 HE3 LYS A 17 3.489 5.613 -12.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 4.758 3.679 -12.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 4.728 4.239 -10.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 3.732 2.945 -10.972 1.00 0.00 H new ATOM 250 N ARG A 18 1.660 1.989 -6.857 1.00 0.00 N ATOM 251 CA ARG A 18 2.115 0.605 -6.810 1.00 0.00 C ATOM 252 C ARG A 18 1.067 -0.291 -6.155 1.00 0.00 C ATOM 253 O ARG A 18 0.718 -1.345 -6.684 1.00 0.00 O ATOM 254 CB ARG A 18 3.436 0.505 -6.045 1.00 0.00 C ATOM 255 CG ARG A 18 4.323 -0.638 -6.509 1.00 0.00 C ATOM 256 CD ARG A 18 5.089 -0.273 -7.771 1.00 0.00 C ATOM 257 NE ARG A 18 5.872 -1.396 -8.280 1.00 0.00 N ATOM 258 CZ ARG A 18 5.361 -2.377 -9.015 1.00 0.00 C ATOM 259 NH1 ARG A 18 4.072 -2.373 -9.326 1.00 0.00 N ATOM 260 NH2 ARG A 18 6.139 -3.363 -9.441 1.00 0.00 N ATOM 0 H ARG A 18 2.200 2.631 -6.277 1.00 0.00 H new ATOM 0 HA ARG A 18 2.269 0.266 -7.834 1.00 0.00 H new ATOM 0 HB2 ARG A 18 3.980 1.443 -6.153 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.223 0.380 -4.983 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.026 -0.898 -5.718 1.00 0.00 H new ATOM 0 HG3 ARG A 18 3.712 -1.521 -6.696 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.388 0.057 -8.538 1.00 0.00 H new ATOM 0 HD3 ARG A 18 5.752 0.566 -7.562 1.00 0.00 H new ATOM 0 HE ARG A 18 6.867 -1.429 -8.059 1.00 0.00 H new ATOM 0 HH11 ARG A 18 3.471 -1.616 -9.001 1.00 0.00 H new ATOM 0 HH12 ARG A 18 3.681 -3.127 -9.891 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.131 -3.368 -9.204 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.745 -4.116 -10.005 1.00 0.00 H new ATOM 274 N MET A 19 0.570 0.138 -4.999 1.00 0.00 N ATOM 275 CA MET A 19 -0.439 -0.624 -4.271 1.00 0.00 C ATOM 276 C MET A 19 -1.522 -1.133 -5.218 1.00 0.00 C ATOM 277 O MET A 19 -1.992 -2.264 -5.087 1.00 0.00 O ATOM 278 CB MET A 19 -1.066 0.236 -3.174 1.00 0.00 C ATOM 279 CG MET A 19 -2.041 -0.523 -2.289 1.00 0.00 C ATOM 280 SD MET A 19 -3.648 -0.764 -3.072 1.00 0.00 S ATOM 281 CE MET A 19 -4.404 0.836 -2.792 1.00 0.00 C ATOM 0 H MET A 19 0.849 1.008 -4.547 1.00 0.00 H new ATOM 0 HA MET A 19 0.051 -1.483 -3.812 1.00 0.00 H new ATOM 0 HB2 MET A 19 -0.273 0.653 -2.553 1.00 0.00 H new ATOM 0 HB3 MET A 19 -1.585 1.076 -3.635 1.00 0.00 H new ATOM 0 HG2 MET A 19 -1.615 -1.494 -2.036 1.00 0.00 H new ATOM 0 HG3 MET A 19 -2.175 0.020 -1.353 1.00 0.00 H new ATOM 0 HE1 MET A 19 -5.342 0.706 -2.252 1.00 0.00 H new ATOM 0 HE2 MET A 19 -3.730 1.459 -2.204 1.00 0.00 H new ATOM 0 HE3 MET A 19 -4.601 1.318 -3.750 1.00 0.00 H new ATOM 291 N ARG A 20 -1.913 -0.292 -6.168 1.00 0.00 N ATOM 292 CA ARG A 20 -2.943 -0.657 -7.135 1.00 0.00 C ATOM 293 C ARG A 20 -2.424 -1.709 -8.111 1.00 0.00 C ATOM 294 O ARG A 20 -3.021 -2.774 -8.264 1.00 0.00 O ATOM 295 CB ARG A 20 -3.412 0.580 -7.904 1.00 0.00 C ATOM 296 CG ARG A 20 -4.470 1.388 -7.169 1.00 0.00 C ATOM 297 CD ARG A 20 -4.549 2.812 -7.697 1.00 0.00 C ATOM 298 NE ARG A 20 -5.498 2.936 -8.799 1.00 0.00 N ATOM 299 CZ ARG A 20 -5.208 2.626 -10.057 1.00 0.00 C ATOM 300 NH1 ARG A 20 -4.002 2.176 -10.372 1.00 0.00 N ATOM 301 NH2 ARG A 20 -6.126 2.765 -11.005 1.00 0.00 N ATOM 0 H ARG A 20 -1.533 0.647 -6.290 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.787 -1.078 -6.588 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.553 1.220 -8.105 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.810 0.268 -8.869 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.440 0.904 -7.278 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.241 1.406 -6.104 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.842 3.482 -6.889 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.561 3.130 -8.032 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.436 3.280 -8.591 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -3.293 2.067 -9.647 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -3.783 1.939 -11.340 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.056 3.110 -10.768 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -5.902 2.526 -11.971 1.00 0.00 H new ATOM 315 N GLU A 21 -1.310 -1.401 -8.768 1.00 0.00 N ATOM 316 CA GLU A 21 -0.713 -2.320 -9.730 1.00 0.00 C ATOM 317 C GLU A 21 -0.612 -3.726 -9.148 1.00 0.00 C ATOM 318 O GLU A 21 -1.209 -4.669 -9.668 1.00 0.00 O ATOM 319 CB GLU A 21 0.675 -1.827 -10.145 1.00 0.00 C ATOM 320 CG GLU A 21 0.652 -0.512 -10.904 1.00 0.00 C ATOM 321 CD GLU A 21 1.992 -0.174 -11.528 1.00 0.00 C ATOM 322 OE1 GLU A 21 3.001 -0.149 -10.791 1.00 0.00 O ATOM 323 OE2 GLU A 21 2.033 0.066 -12.752 1.00 0.00 O ATOM 0 H GLU A 21 -0.803 -0.523 -8.652 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.357 -2.355 -10.609 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.292 -1.712 -9.254 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.151 -2.587 -10.765 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.106 -0.561 -11.686 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.359 0.289 -10.226 1.00 0.00 H new ATOM 330 N ILE A 22 0.148 -3.860 -8.066 1.00 0.00 N ATOM 331 CA ILE A 22 0.328 -5.151 -7.413 1.00 0.00 C ATOM 332 C ILE A 22 -1.001 -5.888 -7.278 1.00 0.00 C ATOM 333 O ILE A 22 -1.100 -7.076 -7.583 1.00 0.00 O ATOM 334 CB ILE A 22 0.958 -4.993 -6.017 1.00 0.00 C ATOM 335 CG1 ILE A 22 2.333 -4.333 -6.126 1.00 0.00 C ATOM 336 CG2 ILE A 22 1.067 -6.345 -5.328 1.00 0.00 C ATOM 337 CD1 ILE A 22 2.845 -3.779 -4.814 1.00 0.00 C ATOM 0 H ILE A 22 0.649 -3.090 -7.623 1.00 0.00 H new ATOM 0 HA ILE A 22 1.002 -5.732 -8.043 1.00 0.00 H new ATOM 0 HB ILE A 22 0.314 -4.352 -5.415 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.048 -5.063 -6.506 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.282 -3.526 -6.857 1.00 0.00 H new ATOM 0 HG21 ILE A 22 1.514 -6.216 -4.342 1.00 0.00 H new ATOM 0 HG22 ILE A 22 0.073 -6.780 -5.221 1.00 0.00 H new ATOM 0 HG23 ILE A 22 1.692 -7.009 -5.926 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.825 -3.326 -4.968 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.151 -3.025 -4.442 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.929 -4.586 -4.086 1.00 0.00 H new ATOM 349 N LYS A 23 -2.024 -5.173 -6.818 1.00 0.00 N ATOM 350 CA LYS A 23 -3.348 -5.757 -6.645 1.00 0.00 C ATOM 351 C LYS A 23 -3.818 -6.431 -7.930 1.00 0.00 C ATOM 352 O LYS A 23 -4.012 -7.646 -7.969 1.00 0.00 O ATOM 353 CB LYS A 23 -4.351 -4.679 -6.226 1.00 0.00 C ATOM 354 CG LYS A 23 -5.727 -5.227 -5.887 1.00 0.00 C ATOM 355 CD LYS A 23 -6.510 -4.267 -5.009 1.00 0.00 C ATOM 356 CE LYS A 23 -7.095 -3.121 -5.820 1.00 0.00 C ATOM 357 NZ LYS A 23 -6.145 -1.980 -5.936 1.00 0.00 N ATOM 0 H LYS A 23 -1.960 -4.189 -6.559 1.00 0.00 H new ATOM 0 HA LYS A 23 -3.286 -6.512 -5.862 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.958 -4.146 -5.360 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.447 -3.951 -7.032 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.281 -5.414 -6.807 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.622 -6.185 -5.377 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.313 -4.805 -4.506 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.858 -3.868 -4.232 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -7.357 -3.478 -6.816 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.018 -2.779 -5.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.552 -1.141 -5.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.247 -2.228 -5.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.972 -1.773 -6.940 1.00 0.00 H new ATOM 371 N ASN A 24 -3.999 -5.636 -8.979 1.00 0.00 N ATOM 372 CA ASN A 24 -4.445 -6.157 -10.266 1.00 0.00 C ATOM 373 C ASN A 24 -3.652 -7.403 -10.652 1.00 0.00 C ATOM 374 O ASN A 24 -4.128 -8.238 -11.421 1.00 0.00 O ATOM 375 CB ASN A 24 -4.297 -5.089 -11.352 1.00 0.00 C ATOM 376 CG ASN A 24 -4.839 -5.547 -12.692 1.00 0.00 C ATOM 377 OD1 ASN A 24 -5.428 -6.623 -12.800 1.00 0.00 O ATOM 378 ND2 ASN A 24 -4.643 -4.730 -13.720 1.00 0.00 N ATOM 0 H ASN A 24 -3.844 -4.628 -8.963 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.496 -6.429 -10.175 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -4.820 -4.184 -11.042 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -3.244 -4.827 -11.459 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -4.986 -4.984 -14.646 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -4.149 -3.848 -13.584 1.00 0.00 H new ATOM 385 N GLU A 25 -2.444 -7.521 -10.112 1.00 0.00 N ATOM 386 CA GLU A 25 -1.587 -8.664 -10.400 1.00 0.00 C ATOM 387 C GLU A 25 -1.993 -9.874 -9.564 1.00 0.00 C ATOM 388 O GLU A 25 -1.919 -11.015 -10.022 1.00 0.00 O ATOM 389 CB GLU A 25 -0.122 -8.314 -10.132 1.00 0.00 C ATOM 390 CG GLU A 25 0.862 -9.296 -10.744 1.00 0.00 C ATOM 391 CD GLU A 25 1.149 -9.001 -12.204 1.00 0.00 C ATOM 392 OE1 GLU A 25 1.999 -8.127 -12.475 1.00 0.00 O ATOM 393 OE2 GLU A 25 0.525 -9.643 -13.074 1.00 0.00 O ATOM 0 H GLU A 25 -2.037 -6.839 -9.472 1.00 0.00 H new ATOM 0 HA GLU A 25 -1.705 -8.916 -11.454 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.082 -7.317 -10.524 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.041 -8.273 -9.055 1.00 0.00 H new ATOM 0 HG2 GLU A 25 1.795 -9.268 -10.181 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.465 -10.307 -10.653 1.00 0.00 H new ATOM 400 N LEU A 26 -2.423 -9.615 -8.333 1.00 0.00 N ATOM 401 CA LEU A 26 -2.842 -10.682 -7.429 1.00 0.00 C ATOM 402 C LEU A 26 -4.252 -11.156 -7.763 1.00 0.00 C ATOM 403 O LEU A 26 -4.554 -12.347 -7.684 1.00 0.00 O ATOM 404 CB LEU A 26 -2.782 -10.201 -5.979 1.00 0.00 C ATOM 405 CG LEU A 26 -3.627 -10.988 -4.976 1.00 0.00 C ATOM 406 CD1 LEU A 26 -3.075 -12.393 -4.799 1.00 0.00 C ATOM 407 CD2 LEU A 26 -3.681 -10.262 -3.640 1.00 0.00 C ATOM 0 H LEU A 26 -2.491 -8.677 -7.938 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.158 -11.521 -7.555 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.743 -10.230 -5.650 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.097 -9.158 -5.950 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.642 -11.066 -5.367 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.689 -12.938 -4.082 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.089 -12.913 -5.757 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.050 -12.338 -4.431 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.286 -10.836 -2.938 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.671 -10.153 -3.244 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.124 -9.276 -3.779 1.00 0.00 H new ATOM 419 N LEU A 27 -5.113 -10.216 -8.138 1.00 0.00 N ATOM 420 CA LEU A 27 -6.493 -10.537 -8.486 1.00 0.00 C ATOM 421 C LEU A 27 -6.554 -11.345 -9.778 1.00 0.00 C ATOM 422 O LEU A 27 -7.320 -12.302 -9.887 1.00 0.00 O ATOM 423 CB LEU A 27 -7.314 -9.255 -8.633 1.00 0.00 C ATOM 424 CG LEU A 27 -7.956 -8.717 -7.352 1.00 0.00 C ATOM 425 CD1 LEU A 27 -8.575 -7.351 -7.598 1.00 0.00 C ATOM 426 CD2 LEU A 27 -9.000 -9.694 -6.829 1.00 0.00 C ATOM 0 H LEU A 27 -4.880 -9.226 -8.209 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.914 -11.140 -7.682 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.669 -8.479 -9.045 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.103 -9.435 -9.363 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.179 -8.608 -6.596 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.027 -6.985 -6.676 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.803 -6.655 -7.925 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.341 -7.432 -8.370 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.447 -9.296 -5.918 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.776 -9.835 -7.582 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.526 -10.651 -6.613 1.00 0.00 H new ATOM 438 N GLN A 28 -5.741 -10.953 -10.754 1.00 0.00 N ATOM 439 CA GLN A 28 -5.704 -11.642 -12.039 1.00 0.00 C ATOM 440 C GLN A 28 -4.420 -12.452 -12.183 1.00 0.00 C ATOM 441 O GLN A 28 -3.845 -12.533 -13.268 1.00 0.00 O ATOM 442 CB GLN A 28 -5.818 -10.636 -13.185 1.00 0.00 C ATOM 443 CG GLN A 28 -7.131 -9.870 -13.193 1.00 0.00 C ATOM 444 CD GLN A 28 -8.229 -10.600 -13.940 1.00 0.00 C ATOM 445 OE1 GLN A 28 -9.092 -11.235 -13.332 1.00 0.00 O ATOM 446 NE2 GLN A 28 -8.202 -10.515 -15.264 1.00 0.00 N ATOM 0 H GLN A 28 -5.100 -10.163 -10.680 1.00 0.00 H new ATOM 0 HA GLN A 28 -6.551 -12.326 -12.081 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -4.993 -9.926 -13.118 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.709 -11.163 -14.133 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -7.451 -9.694 -12.166 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -6.974 -8.893 -13.650 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -7.468 -9.978 -15.726 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -8.915 -10.987 -15.820 1.00 0.00 H new ATOM 455 N ALA A 29 -3.976 -13.050 -11.083 1.00 0.00 N ATOM 456 CA ALA A 29 -2.761 -13.856 -11.089 1.00 0.00 C ATOM 457 C ALA A 29 -3.077 -15.327 -11.335 1.00 0.00 C ATOM 458 O ALA A 29 -4.185 -15.786 -11.059 1.00 0.00 O ATOM 459 CB ALA A 29 -2.010 -13.688 -9.774 1.00 0.00 C ATOM 0 H ALA A 29 -4.439 -12.992 -10.176 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.128 -13.507 -11.905 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -1.105 -14.295 -9.792 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.741 -12.640 -9.640 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.646 -14.008 -8.948 1.00 0.00 H new ATOM 465 N GLN A 30 -2.098 -16.059 -11.855 1.00 0.00 N ATOM 466 CA GLN A 30 -2.275 -17.479 -12.140 1.00 0.00 C ATOM 467 C GLN A 30 -2.109 -18.312 -10.874 1.00 0.00 C ATOM 468 O GLN A 30 -2.952 -19.150 -10.555 1.00 0.00 O ATOM 469 CB GLN A 30 -1.274 -17.936 -13.201 1.00 0.00 C ATOM 470 CG GLN A 30 -1.499 -19.363 -13.676 1.00 0.00 C ATOM 471 CD GLN A 30 -0.581 -19.749 -14.819 1.00 0.00 C ATOM 472 OE1 GLN A 30 -0.259 -18.927 -15.677 1.00 0.00 O ATOM 473 NE2 GLN A 30 -0.155 -21.006 -14.836 1.00 0.00 N ATOM 0 H GLN A 30 -1.175 -15.694 -12.088 1.00 0.00 H new ATOM 0 HA GLN A 30 -3.286 -17.625 -12.519 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.332 -17.264 -14.057 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.265 -17.851 -12.797 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -1.343 -20.048 -12.843 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -2.536 -19.477 -13.993 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.447 -21.654 -14.104 1.00 0.00 H new ATOM 0 HE22 GLN A 30 0.465 -21.324 -15.581 1.00 0.00 H new ATOM 482 N ASN A 31 -1.015 -18.077 -10.156 1.00 0.00 N ATOM 483 CA ASN A 31 -0.738 -18.807 -8.924 1.00 0.00 C ATOM 484 C ASN A 31 -0.670 -17.858 -7.732 1.00 0.00 C ATOM 485 O ASN A 31 0.404 -17.536 -7.224 1.00 0.00 O ATOM 486 CB ASN A 31 0.576 -19.580 -9.050 1.00 0.00 C ATOM 487 CG ASN A 31 1.675 -18.752 -9.688 1.00 0.00 C ATOM 488 OD1 ASN A 31 1.563 -17.531 -9.799 1.00 0.00 O ATOM 489 ND2 ASN A 31 2.744 -19.416 -10.113 1.00 0.00 N ATOM 0 H ASN A 31 -0.306 -17.387 -10.406 1.00 0.00 H new ATOM 0 HA ASN A 31 -1.553 -19.512 -8.758 1.00 0.00 H new ATOM 0 HB2 ASN A 31 0.898 -19.907 -8.061 1.00 0.00 H new ATOM 0 HB3 ASN A 31 0.410 -20.479 -9.644 1.00 0.00 H new ATOM 0 HD21 ASN A 31 3.515 -18.913 -10.552 1.00 0.00 H new ATOM 0 HD22 ASN A 31 2.794 -20.429 -10.000 1.00 0.00 H new ATOM 496 N PRO A 32 -1.845 -17.399 -7.273 1.00 0.00 N ATOM 497 CA PRO A 32 -1.945 -16.481 -6.135 1.00 0.00 C ATOM 498 C PRO A 32 -1.580 -17.152 -4.815 1.00 0.00 C ATOM 499 O PRO A 32 -1.608 -16.521 -3.758 1.00 0.00 O ATOM 500 CB PRO A 32 -3.421 -16.074 -6.138 1.00 0.00 C ATOM 501 CG PRO A 32 -4.124 -17.204 -6.807 1.00 0.00 C ATOM 502 CD PRO A 32 -3.163 -17.742 -7.830 1.00 0.00 C ATOM 0 HA PRO A 32 -1.256 -15.641 -6.226 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -3.792 -15.922 -5.124 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -3.573 -15.139 -6.677 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -4.398 -17.974 -6.086 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -5.047 -16.865 -7.278 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -3.276 -18.818 -7.961 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -3.318 -17.284 -8.807 1.00 0.00 H new ATOM 510 N SER A 33 -1.237 -18.435 -4.883 1.00 0.00 N ATOM 511 CA SER A 33 -0.870 -19.192 -3.693 1.00 0.00 C ATOM 512 C SER A 33 0.462 -18.706 -3.128 1.00 0.00 C ATOM 513 O SER A 33 0.586 -18.457 -1.930 1.00 0.00 O ATOM 514 CB SER A 33 -0.784 -20.684 -4.018 1.00 0.00 C ATOM 515 OG SER A 33 0.140 -20.926 -5.064 1.00 0.00 O ATOM 0 H SER A 33 -1.206 -18.971 -5.750 1.00 0.00 H new ATOM 0 HA SER A 33 -1.643 -19.035 -2.941 1.00 0.00 H new ATOM 0 HB2 SER A 33 -0.483 -21.236 -3.128 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.768 -21.054 -4.305 1.00 0.00 H new ATOM 0 HG SER A 33 0.178 -21.887 -5.251 1.00 0.00 H new ATOM 521 N GLU A 34 1.454 -18.573 -4.003 1.00 0.00 N ATOM 522 CA GLU A 34 2.777 -18.117 -3.592 1.00 0.00 C ATOM 523 C GLU A 34 2.823 -16.595 -3.498 1.00 0.00 C ATOM 524 O GLU A 34 3.464 -16.035 -2.608 1.00 0.00 O ATOM 525 CB GLU A 34 3.839 -18.612 -4.576 1.00 0.00 C ATOM 526 CG GLU A 34 3.682 -18.043 -5.977 1.00 0.00 C ATOM 527 CD GLU A 34 4.533 -18.771 -7.000 1.00 0.00 C ATOM 528 OE1 GLU A 34 5.560 -19.362 -6.605 1.00 0.00 O ATOM 529 OE2 GLU A 34 4.172 -18.749 -8.195 1.00 0.00 O ATOM 0 H GLU A 34 1.367 -18.774 -4.999 1.00 0.00 H new ATOM 0 HA GLU A 34 2.986 -18.530 -2.605 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.826 -18.350 -4.195 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.796 -19.700 -4.628 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.635 -18.101 -6.274 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.953 -16.987 -5.969 1.00 0.00 H new ATOM 536 N LEU A 35 2.141 -15.930 -4.425 1.00 0.00 N ATOM 537 CA LEU A 35 2.104 -14.472 -4.449 1.00 0.00 C ATOM 538 C LEU A 35 1.674 -13.916 -3.095 1.00 0.00 C ATOM 539 O LEU A 35 2.209 -12.911 -2.627 1.00 0.00 O ATOM 540 CB LEU A 35 1.149 -13.984 -5.539 1.00 0.00 C ATOM 541 CG LEU A 35 1.754 -13.805 -6.931 1.00 0.00 C ATOM 542 CD1 LEU A 35 0.661 -13.605 -7.968 1.00 0.00 C ATOM 543 CD2 LEU A 35 2.726 -12.634 -6.944 1.00 0.00 C ATOM 0 H LEU A 35 1.606 -16.378 -5.170 1.00 0.00 H new ATOM 0 HA LEU A 35 3.109 -14.111 -4.667 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.322 -14.690 -5.612 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.726 -13.030 -5.223 1.00 0.00 H new ATOM 0 HG LEU A 35 2.304 -14.711 -7.185 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.112 -13.479 -8.952 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.005 -14.475 -7.978 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.081 -12.716 -7.719 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.147 -12.522 -7.943 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.199 -11.721 -6.667 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.529 -12.820 -6.231 1.00 0.00 H new ATOM 555 N TYR A 36 0.707 -14.578 -2.469 1.00 0.00 N ATOM 556 CA TYR A 36 0.205 -14.150 -1.169 1.00 0.00 C ATOM 557 C TYR A 36 1.331 -13.582 -0.311 1.00 0.00 C ATOM 558 O TYR A 36 1.173 -12.544 0.334 1.00 0.00 O ATOM 559 CB TYR A 36 -0.462 -15.322 -0.446 1.00 0.00 C ATOM 560 CG TYR A 36 -1.744 -15.785 -1.098 1.00 0.00 C ATOM 561 CD1 TYR A 36 -2.686 -14.870 -1.554 1.00 0.00 C ATOM 562 CD2 TYR A 36 -2.015 -17.138 -1.260 1.00 0.00 C ATOM 563 CE1 TYR A 36 -3.859 -15.290 -2.149 1.00 0.00 C ATOM 564 CE2 TYR A 36 -3.185 -17.567 -1.857 1.00 0.00 C ATOM 565 CZ TYR A 36 -4.104 -16.639 -2.299 1.00 0.00 C ATOM 566 OH TYR A 36 -5.272 -17.060 -2.894 1.00 0.00 O ATOM 0 H TYR A 36 0.255 -15.413 -2.841 1.00 0.00 H new ATOM 0 HA TYR A 36 -0.534 -13.365 -1.333 1.00 0.00 H new ATOM 0 HB2 TYR A 36 0.237 -16.157 -0.404 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -0.672 -15.031 0.583 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -2.497 -13.813 -1.441 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -1.298 -17.868 -0.913 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -4.581 -14.566 -2.495 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.378 -18.623 -1.977 1.00 0.00 H new ATOM 0 HH TYR A 36 -5.289 -18.039 -2.924 1.00 0.00 H new ATOM 576 N LEU A 37 2.468 -14.269 -0.308 1.00 0.00 N ATOM 577 CA LEU A 37 3.623 -13.835 0.471 1.00 0.00 C ATOM 578 C LEU A 37 4.387 -12.733 -0.258 1.00 0.00 C ATOM 579 O LEU A 37 4.590 -11.645 0.280 1.00 0.00 O ATOM 580 CB LEU A 37 4.552 -15.019 0.746 1.00 0.00 C ATOM 581 CG LEU A 37 4.019 -16.079 1.709 1.00 0.00 C ATOM 582 CD1 LEU A 37 4.812 -17.370 1.574 1.00 0.00 C ATOM 583 CD2 LEU A 37 4.066 -15.569 3.143 1.00 0.00 C ATOM 0 H LEU A 37 2.615 -15.129 -0.836 1.00 0.00 H new ATOM 0 HA LEU A 37 3.262 -13.437 1.419 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.783 -15.502 -0.203 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.491 -14.634 1.144 1.00 0.00 H new ATOM 0 HG LEU A 37 2.980 -16.286 1.452 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.418 -18.113 2.267 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.727 -17.744 0.554 1.00 0.00 H new ATOM 0 HD13 LEU A 37 5.860 -17.179 1.804 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.683 -16.337 3.815 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.096 -15.333 3.412 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.453 -14.672 3.230 1.00 0.00 H new ATOM 595 N SER A 38 4.806 -13.023 -1.486 1.00 0.00 N ATOM 596 CA SER A 38 5.550 -12.059 -2.287 1.00 0.00 C ATOM 597 C SER A 38 4.899 -10.680 -2.218 1.00 0.00 C ATOM 598 O SER A 38 5.448 -9.751 -1.626 1.00 0.00 O ATOM 599 CB SER A 38 5.628 -12.525 -3.742 1.00 0.00 C ATOM 600 OG SER A 38 6.713 -11.911 -4.417 1.00 0.00 O ATOM 0 H SER A 38 4.643 -13.918 -1.947 1.00 0.00 H new ATOM 0 HA SER A 38 6.559 -11.988 -1.881 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.742 -13.609 -3.774 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.696 -12.287 -4.254 1.00 0.00 H new ATOM 0 HG SER A 38 6.742 -12.227 -5.344 1.00 0.00 H new ATOM 606 N SER A 39 3.725 -10.555 -2.829 1.00 0.00 N ATOM 607 CA SER A 39 3.001 -9.290 -2.841 1.00 0.00 C ATOM 608 C SER A 39 3.009 -8.646 -1.458 1.00 0.00 C ATOM 609 O SER A 39 3.629 -7.603 -1.248 1.00 0.00 O ATOM 610 CB SER A 39 1.560 -9.508 -3.306 1.00 0.00 C ATOM 611 OG SER A 39 1.486 -9.588 -4.719 1.00 0.00 O ATOM 0 H SER A 39 3.255 -11.314 -3.322 1.00 0.00 H new ATOM 0 HA SER A 39 3.503 -8.619 -3.538 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.167 -10.425 -2.866 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.933 -8.690 -2.952 1.00 0.00 H new ATOM 0 HG SER A 39 0.555 -9.729 -4.990 1.00 0.00 H new ATOM 617 N LYS A 40 2.314 -9.274 -0.515 1.00 0.00 N ATOM 618 CA LYS A 40 2.240 -8.765 0.849 1.00 0.00 C ATOM 619 C LYS A 40 3.576 -8.169 1.280 1.00 0.00 C ATOM 620 O LYS A 40 3.645 -7.015 1.704 1.00 0.00 O ATOM 621 CB LYS A 40 1.835 -9.884 1.811 1.00 0.00 C ATOM 622 CG LYS A 40 1.379 -9.383 3.170 1.00 0.00 C ATOM 623 CD LYS A 40 0.930 -10.525 4.065 1.00 0.00 C ATOM 624 CE LYS A 40 2.114 -11.216 4.725 1.00 0.00 C ATOM 625 NZ LYS A 40 1.679 -12.225 5.729 1.00 0.00 N ATOM 0 H LYS A 40 1.794 -10.137 -0.671 1.00 0.00 H new ATOM 0 HA LYS A 40 1.485 -7.979 0.877 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.032 -10.466 1.360 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.680 -10.559 1.947 1.00 0.00 H new ATOM 0 HG2 LYS A 40 2.194 -8.842 3.651 1.00 0.00 H new ATOM 0 HG3 LYS A 40 0.559 -8.677 3.042 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.256 -10.144 4.832 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.366 -11.249 3.477 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.722 -11.702 3.962 1.00 0.00 H new ATOM 0 HE3 LYS A 40 2.745 -10.471 5.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.515 -12.673 6.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.120 -11.758 6.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 1.098 -12.950 5.263 1.00 0.00 H new ATOM 639 N THR A 41 4.638 -8.961 1.167 1.00 0.00 N ATOM 640 CA THR A 41 5.971 -8.511 1.544 1.00 0.00 C ATOM 641 C THR A 41 6.311 -7.181 0.880 1.00 0.00 C ATOM 642 O THR A 41 6.725 -6.234 1.547 1.00 0.00 O ATOM 643 CB THR A 41 7.043 -9.550 1.165 1.00 0.00 C ATOM 644 OG1 THR A 41 6.766 -10.797 1.810 1.00 0.00 O ATOM 645 CG2 THR A 41 8.430 -9.066 1.559 1.00 0.00 C ATOM 0 H THR A 41 4.600 -9.918 0.817 1.00 0.00 H new ATOM 0 HA THR A 41 5.967 -8.383 2.626 1.00 0.00 H new ATOM 0 HB THR A 41 7.018 -9.687 0.084 1.00 0.00 H new ATOM 0 HG1 THR A 41 6.002 -11.228 1.374 1.00 0.00 H new ATOM 0 HG21 THR A 41 9.170 -9.817 1.281 1.00 0.00 H new ATOM 0 HG22 THR A 41 8.650 -8.132 1.043 1.00 0.00 H new ATOM 0 HG23 THR A 41 8.466 -8.902 2.636 1.00 0.00 H new ATOM 653 N GLU A 42 6.134 -7.120 -0.436 1.00 0.00 N ATOM 654 CA GLU A 42 6.422 -5.905 -1.189 1.00 0.00 C ATOM 655 C GLU A 42 5.635 -4.721 -0.635 1.00 0.00 C ATOM 656 O GLU A 42 6.204 -3.682 -0.303 1.00 0.00 O ATOM 657 CB GLU A 42 6.091 -6.105 -2.669 1.00 0.00 C ATOM 658 CG GLU A 42 6.482 -4.926 -3.545 1.00 0.00 C ATOM 659 CD GLU A 42 6.565 -5.293 -5.014 1.00 0.00 C ATOM 660 OE1 GLU A 42 5.500 -5.433 -5.651 1.00 0.00 O ATOM 661 OE2 GLU A 42 7.694 -5.440 -5.526 1.00 0.00 O ATOM 0 H GLU A 42 5.793 -7.897 -1.002 1.00 0.00 H new ATOM 0 HA GLU A 42 7.486 -5.690 -1.088 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.600 -6.999 -3.029 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.021 -6.284 -2.772 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.755 -4.125 -3.415 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.446 -4.538 -3.216 1.00 0.00 H new ATOM 668 N LEU A 43 4.320 -4.887 -0.540 1.00 0.00 N ATOM 669 CA LEU A 43 3.451 -3.833 -0.027 1.00 0.00 C ATOM 670 C LEU A 43 4.130 -3.071 1.107 1.00 0.00 C ATOM 671 O LEU A 43 4.384 -1.873 0.997 1.00 0.00 O ATOM 672 CB LEU A 43 2.129 -4.428 0.462 1.00 0.00 C ATOM 673 CG LEU A 43 1.078 -4.702 -0.613 1.00 0.00 C ATOM 674 CD1 LEU A 43 0.010 -5.647 -0.088 1.00 0.00 C ATOM 675 CD2 LEU A 43 0.452 -3.400 -1.092 1.00 0.00 C ATOM 0 H LEU A 43 3.832 -5.741 -0.811 1.00 0.00 H new ATOM 0 HA LEU A 43 3.249 -3.135 -0.839 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.344 -5.364 0.978 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.698 -3.749 1.198 1.00 0.00 H new ATOM 0 HG LEU A 43 1.570 -5.179 -1.461 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.729 -5.830 -0.868 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.471 -6.591 0.204 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.479 -5.199 0.777 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.294 -3.615 -1.857 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.025 -2.895 -0.252 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.226 -2.756 -1.510 1.00 0.00 H new ATOM 687 N GLN A 44 4.423 -3.778 2.195 1.00 0.00 N ATOM 688 CA GLN A 44 5.074 -3.167 3.349 1.00 0.00 C ATOM 689 C GLN A 44 6.132 -2.163 2.908 1.00 0.00 C ATOM 690 O GLN A 44 6.198 -1.048 3.425 1.00 0.00 O ATOM 691 CB GLN A 44 5.710 -4.244 4.229 1.00 0.00 C ATOM 692 CG GLN A 44 4.718 -4.956 5.135 1.00 0.00 C ATOM 693 CD GLN A 44 5.395 -5.833 6.168 1.00 0.00 C ATOM 694 OE1 GLN A 44 6.616 -5.997 6.156 1.00 0.00 O ATOM 695 NE2 GLN A 44 4.606 -6.403 7.070 1.00 0.00 N ATOM 0 H GLN A 44 4.220 -4.772 2.301 1.00 0.00 H new ATOM 0 HA GLN A 44 4.316 -2.637 3.926 1.00 0.00 H new ATOM 0 HB2 GLN A 44 6.199 -4.980 3.591 1.00 0.00 H new ATOM 0 HB3 GLN A 44 6.487 -3.788 4.843 1.00 0.00 H new ATOM 0 HG2 GLN A 44 4.099 -4.216 5.642 1.00 0.00 H new ATOM 0 HG3 GLN A 44 4.051 -5.567 4.527 1.00 0.00 H new ATOM 0 HE21 GLN A 44 3.599 -6.240 7.043 1.00 0.00 H new ATOM 0 HE22 GLN A 44 5.006 -7.004 7.790 1.00 0.00 H new ATOM 704 N GLY A 45 6.960 -2.564 1.948 1.00 0.00 N ATOM 705 CA GLY A 45 8.004 -1.687 1.454 1.00 0.00 C ATOM 706 C GLY A 45 7.496 -0.290 1.156 1.00 0.00 C ATOM 707 O GLY A 45 8.038 0.697 1.657 1.00 0.00 O ATOM 0 H GLY A 45 6.926 -3.482 1.504 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.805 -1.629 2.191 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.435 -2.114 0.548 1.00 0.00 H new ATOM 711 N LEU A 46 6.454 -0.204 0.337 1.00 0.00 N ATOM 712 CA LEU A 46 5.872 1.083 -0.030 1.00 0.00 C ATOM 713 C LEU A 46 5.571 1.917 1.212 1.00 0.00 C ATOM 714 O LEU A 46 6.094 3.020 1.372 1.00 0.00 O ATOM 715 CB LEU A 46 4.593 0.874 -0.841 1.00 0.00 C ATOM 716 CG LEU A 46 4.771 0.259 -2.229 1.00 0.00 C ATOM 717 CD1 LEU A 46 3.487 -0.421 -2.680 1.00 0.00 C ATOM 718 CD2 LEU A 46 5.196 1.320 -3.233 1.00 0.00 C ATOM 0 H LEU A 46 5.994 -1.010 -0.086 1.00 0.00 H new ATOM 0 HA LEU A 46 6.597 1.622 -0.640 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.922 0.235 -0.266 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.097 1.838 -0.954 1.00 0.00 H new ATOM 0 HG LEU A 46 5.557 -0.494 -2.173 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.632 -0.853 -3.670 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.226 -1.210 -1.975 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.681 0.312 -2.719 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.318 0.863 -4.215 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.433 2.097 -3.286 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.142 1.761 -2.918 1.00 0.00 H new ATOM 730 N ILE A 47 4.728 1.381 2.088 1.00 0.00 N ATOM 731 CA ILE A 47 4.360 2.076 3.316 1.00 0.00 C ATOM 732 C ILE A 47 5.535 2.878 3.866 1.00 0.00 C ATOM 733 O ILE A 47 5.396 4.055 4.194 1.00 0.00 O ATOM 734 CB ILE A 47 3.875 1.091 4.396 1.00 0.00 C ATOM 735 CG1 ILE A 47 2.688 0.277 3.878 1.00 0.00 C ATOM 736 CG2 ILE A 47 3.498 1.839 5.665 1.00 0.00 C ATOM 737 CD1 ILE A 47 2.142 -0.707 4.889 1.00 0.00 C ATOM 0 H ILE A 47 4.287 0.469 1.971 1.00 0.00 H new ATOM 0 HA ILE A 47 3.546 2.755 3.063 1.00 0.00 H new ATOM 0 HB ILE A 47 4.688 0.404 4.631 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.892 0.960 3.581 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.993 -0.266 2.983 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.157 1.129 6.418 1.00 0.00 H new ATOM 0 HG22 ILE A 47 4.367 2.378 6.041 1.00 0.00 H new ATOM 0 HG23 ILE A 47 2.699 2.547 5.446 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.303 -1.249 4.453 1.00 0.00 H new ATOM 0 HD12 ILE A 47 2.924 -1.413 5.168 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.806 -0.169 5.775 1.00 0.00 H new ATOM 749 N GLY A 48 6.692 2.231 3.964 1.00 0.00 N ATOM 750 CA GLY A 48 7.875 2.900 4.474 1.00 0.00 C ATOM 751 C GLY A 48 7.948 4.353 4.048 1.00 0.00 C ATOM 752 O GLY A 48 8.108 5.243 4.883 1.00 0.00 O ATOM 0 H GLY A 48 6.832 1.256 3.700 1.00 0.00 H new ATOM 0 HA2 GLY A 48 7.880 2.843 5.562 1.00 0.00 H new ATOM 0 HA3 GLY A 48 8.764 2.377 4.123 1.00 0.00 H new ATOM 756 N GLN A 49 7.832 4.593 2.746 1.00 0.00 N ATOM 757 CA GLN A 49 7.889 5.949 2.212 1.00 0.00 C ATOM 758 C GLN A 49 7.033 6.898 3.044 1.00 0.00 C ATOM 759 O GLN A 49 7.457 8.007 3.371 1.00 0.00 O ATOM 760 CB GLN A 49 7.419 5.966 0.755 1.00 0.00 C ATOM 761 CG GLN A 49 8.408 5.330 -0.209 1.00 0.00 C ATOM 762 CD GLN A 49 7.739 4.788 -1.457 1.00 0.00 C ATOM 763 OE1 GLN A 49 7.676 3.575 -1.664 1.00 0.00 O ATOM 764 NE2 GLN A 49 7.235 5.684 -2.296 1.00 0.00 N ATOM 0 H GLN A 49 7.698 3.867 2.042 1.00 0.00 H new ATOM 0 HA GLN A 49 8.924 6.287 2.258 1.00 0.00 H new ATOM 0 HB2 GLN A 49 6.466 5.442 0.683 1.00 0.00 H new ATOM 0 HB3 GLN A 49 7.240 6.997 0.451 1.00 0.00 H new ATOM 0 HG2 GLN A 49 9.158 6.068 -0.494 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.934 4.521 0.297 1.00 0.00 H new ATOM 0 HE21 GLN A 49 7.310 6.679 -2.085 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.773 5.378 -3.152 1.00 0.00 H new ATOM 773 N LEU A 50 5.828 6.455 3.386 1.00 0.00 N ATOM 774 CA LEU A 50 4.912 7.266 4.180 1.00 0.00 C ATOM 775 C LEU A 50 5.579 7.737 5.469 1.00 0.00 C ATOM 776 O LEU A 50 5.544 8.922 5.800 1.00 0.00 O ATOM 777 CB LEU A 50 3.649 6.470 4.509 1.00 0.00 C ATOM 778 CG LEU A 50 2.751 6.114 3.323 1.00 0.00 C ATOM 779 CD1 LEU A 50 1.783 5.003 3.699 1.00 0.00 C ATOM 780 CD2 LEU A 50 1.994 7.343 2.841 1.00 0.00 C ATOM 0 H LEU A 50 5.463 5.539 3.126 1.00 0.00 H new ATOM 0 HA LEU A 50 4.639 8.142 3.592 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.945 5.546 5.005 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.060 7.042 5.226 1.00 0.00 H new ATOM 0 HG LEU A 50 3.382 5.757 2.509 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.153 4.764 2.842 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.344 4.117 3.995 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.157 5.331 4.529 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.360 7.072 1.997 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.375 7.730 3.650 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.704 8.109 2.530 1.00 0.00 H new ATOM 792 N ASP A 51 6.189 6.802 6.188 1.00 0.00 N ATOM 793 CA ASP A 51 6.868 7.122 7.439 1.00 0.00 C ATOM 794 C ASP A 51 7.610 8.450 7.329 1.00 0.00 C ATOM 795 O ASP A 51 7.590 9.261 8.256 1.00 0.00 O ATOM 796 CB ASP A 51 7.846 6.007 7.812 1.00 0.00 C ATOM 797 CG ASP A 51 7.155 4.672 8.006 1.00 0.00 C ATOM 798 OD1 ASP A 51 6.173 4.401 7.284 1.00 0.00 O ATOM 799 OD2 ASP A 51 7.596 3.897 8.881 1.00 0.00 O ATOM 0 H ASP A 51 6.228 5.817 5.927 1.00 0.00 H new ATOM 0 HA ASP A 51 6.114 7.211 8.221 1.00 0.00 H new ATOM 0 HB2 ASP A 51 8.600 5.912 7.030 1.00 0.00 H new ATOM 0 HB3 ASP A 51 8.370 6.278 8.729 1.00 0.00 H new ATOM 804 N GLU A 52 8.265 8.665 6.193 1.00 0.00 N ATOM 805 CA GLU A 52 9.014 9.896 5.965 1.00 0.00 C ATOM 806 C GLU A 52 8.081 11.102 5.926 1.00 0.00 C ATOM 807 O GLU A 52 8.302 12.095 6.621 1.00 0.00 O ATOM 808 CB GLU A 52 9.803 9.804 4.657 1.00 0.00 C ATOM 809 CG GLU A 52 11.193 9.216 4.824 1.00 0.00 C ATOM 810 CD GLU A 52 11.168 7.813 5.398 1.00 0.00 C ATOM 811 OE1 GLU A 52 10.394 6.976 4.890 1.00 0.00 O ATOM 812 OE2 GLU A 52 11.925 7.551 6.357 1.00 0.00 O ATOM 0 H GLU A 52 8.293 8.004 5.417 1.00 0.00 H new ATOM 0 HA GLU A 52 9.711 10.025 6.793 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.243 9.195 3.947 1.00 0.00 H new ATOM 0 HB3 GLU A 52 9.889 10.801 4.224 1.00 0.00 H new ATOM 0 HG2 GLU A 52 11.695 9.200 3.857 1.00 0.00 H new ATOM 0 HG3 GLU A 52 11.780 9.861 5.477 1.00 0.00 H new ATOM 819 N VAL A 53 7.038 11.010 5.109 1.00 0.00 N ATOM 820 CA VAL A 53 6.070 12.093 4.979 1.00 0.00 C ATOM 821 C VAL A 53 5.382 12.377 6.310 1.00 0.00 C ATOM 822 O VAL A 53 4.527 11.611 6.754 1.00 0.00 O ATOM 823 CB VAL A 53 5.000 11.765 3.920 1.00 0.00 C ATOM 824 CG1 VAL A 53 4.049 12.939 3.741 1.00 0.00 C ATOM 825 CG2 VAL A 53 5.656 11.393 2.600 1.00 0.00 C ATOM 0 H VAL A 53 6.841 10.196 4.526 1.00 0.00 H new ATOM 0 HA VAL A 53 6.624 12.977 4.663 1.00 0.00 H new ATOM 0 HB VAL A 53 4.420 10.909 4.266 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.300 12.689 2.989 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.555 13.154 4.688 1.00 0.00 H new ATOM 0 HG13 VAL A 53 4.610 13.816 3.417 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.886 11.164 1.863 1.00 0.00 H new ATOM 0 HG22 VAL A 53 6.261 12.228 2.246 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.292 10.520 2.743 1.00 0.00 H new ATOM 941 N ILE A 61 -2.616 16.807 2.884 1.00 0.00 N ATOM 942 CA ILE A 61 -1.443 16.065 3.325 1.00 0.00 C ATOM 943 C ILE A 61 -1.760 15.212 4.549 1.00 0.00 C ATOM 944 O ILE A 61 -1.392 14.039 4.613 1.00 0.00 O ATOM 945 CB ILE A 61 -0.273 17.009 3.661 1.00 0.00 C ATOM 946 CG1 ILE A 61 0.291 17.633 2.382 1.00 0.00 C ATOM 947 CG2 ILE A 61 0.815 16.258 4.414 1.00 0.00 C ATOM 948 CD1 ILE A 61 1.194 18.819 2.635 1.00 0.00 C ATOM 0 HA ILE A 61 -1.151 15.417 2.499 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.644 17.809 4.301 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.847 16.874 1.832 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.536 17.946 1.745 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.635 16.939 4.644 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.405 15.857 5.341 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.186 15.439 3.797 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.557 19.210 1.684 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.636 19.596 3.158 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.041 18.507 3.246 1.00 0.00 H new ATOM 960 N ARG A 62 -2.445 15.810 5.518 1.00 0.00 N ATOM 961 CA ARG A 62 -2.812 15.105 6.741 1.00 0.00 C ATOM 962 C ARG A 62 -3.747 13.938 6.435 1.00 0.00 C ATOM 963 O ARG A 62 -3.651 12.877 7.051 1.00 0.00 O ATOM 964 CB ARG A 62 -3.482 16.064 7.726 1.00 0.00 C ATOM 965 CG ARG A 62 -4.440 15.380 8.687 1.00 0.00 C ATOM 966 CD ARG A 62 -5.039 16.368 9.675 1.00 0.00 C ATOM 967 NE ARG A 62 -6.268 16.972 9.168 1.00 0.00 N ATOM 968 CZ ARG A 62 -6.890 17.984 9.763 1.00 0.00 C ATOM 969 NH1 ARG A 62 -6.399 18.503 10.879 1.00 0.00 N ATOM 970 NH2 ARG A 62 -8.004 18.479 9.240 1.00 0.00 N ATOM 0 H ARG A 62 -2.757 16.780 5.480 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.901 14.711 7.191 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -2.711 16.579 8.300 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.025 16.826 7.166 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.239 14.897 8.124 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.914 14.595 9.230 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -5.247 15.859 10.616 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.312 17.151 9.890 1.00 0.00 H new ATOM 0 HE ARG A 62 -6.671 16.596 8.310 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -5.542 18.126 11.283 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -6.878 19.280 11.334 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -8.384 18.083 8.380 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -8.481 19.256 9.698 1.00 0.00 H new ATOM 984 N GLU A 63 -4.650 14.143 5.481 1.00 0.00 N ATOM 985 CA GLU A 63 -5.602 13.109 5.096 1.00 0.00 C ATOM 986 C GLU A 63 -4.944 12.076 4.185 1.00 0.00 C ATOM 987 O GLU A 63 -4.869 10.894 4.520 1.00 0.00 O ATOM 988 CB GLU A 63 -6.809 13.732 4.392 1.00 0.00 C ATOM 989 CG GLU A 63 -8.056 12.864 4.438 1.00 0.00 C ATOM 990 CD GLU A 63 -9.146 13.359 3.508 1.00 0.00 C ATOM 991 OE1 GLU A 63 -9.913 14.255 3.918 1.00 0.00 O ATOM 992 OE2 GLU A 63 -9.232 12.851 2.371 1.00 0.00 O ATOM 0 H GLU A 63 -4.742 15.016 4.961 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.940 12.606 6.002 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.030 14.695 4.852 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.551 13.927 3.351 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.792 11.841 4.170 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.438 12.838 5.458 1.00 0.00 H new ATOM 999 N ALA A 64 -4.471 12.532 3.029 1.00 0.00 N ATOM 1000 CA ALA A 64 -3.819 11.650 2.070 1.00 0.00 C ATOM 1001 C ALA A 64 -2.974 10.597 2.779 1.00 0.00 C ATOM 1002 O ALA A 64 -3.268 9.403 2.711 1.00 0.00 O ATOM 1003 CB ALA A 64 -2.961 12.458 1.108 1.00 0.00 C ATOM 0 H ALA A 64 -4.528 13.507 2.735 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.594 11.135 1.503 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.480 11.786 0.397 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.589 13.168 0.569 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.199 13.000 1.668 1.00 0.00 H new ATOM 1009 N ARG A 65 -1.924 11.046 3.457 1.00 0.00 N ATOM 1010 CA ARG A 65 -1.035 10.142 4.177 1.00 0.00 C ATOM 1011 C ARG A 65 -1.832 9.075 4.922 1.00 0.00 C ATOM 1012 O ARG A 65 -1.746 7.888 4.606 1.00 0.00 O ATOM 1013 CB ARG A 65 -0.165 10.924 5.163 1.00 0.00 C ATOM 1014 CG ARG A 65 0.925 10.086 5.811 1.00 0.00 C ATOM 1015 CD ARG A 65 1.709 10.890 6.836 1.00 0.00 C ATOM 1016 NE ARG A 65 2.505 10.034 7.712 1.00 0.00 N ATOM 1017 CZ ARG A 65 1.978 9.218 8.619 1.00 0.00 C ATOM 1018 NH1 ARG A 65 0.662 9.150 8.768 1.00 0.00 N ATOM 1019 NH2 ARG A 65 2.767 8.469 9.379 1.00 0.00 N ATOM 0 H ARG A 65 -1.667 12.031 3.523 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.392 9.649 3.448 1.00 0.00 H new ATOM 0 HB2 ARG A 65 0.295 11.763 4.642 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -0.801 11.343 5.943 1.00 0.00 H new ATOM 0 HG2 ARG A 65 0.479 9.216 6.293 1.00 0.00 H new ATOM 0 HG3 ARG A 65 1.603 9.712 5.044 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.365 11.592 6.321 1.00 0.00 H new ATOM 0 HD3 ARG A 65 1.019 11.482 7.437 1.00 0.00 H new ATOM 0 HE ARG A 65 3.521 10.064 7.623 1.00 0.00 H new ATOM 0 HH11 ARG A 65 0.052 9.725 8.186 1.00 0.00 H new ATOM 0 HH12 ARG A 65 0.259 8.523 9.465 1.00 0.00 H new ATOM 0 HH21 ARG A 65 3.780 8.519 9.268 1.00 0.00 H new ATOM 0 HH22 ARG A 65 2.361 7.843 10.075 1.00 0.00 H new ATOM 1033 N ARG A 66 -2.606 9.506 5.912 1.00 0.00 N ATOM 1034 CA ARG A 66 -3.417 8.588 6.703 1.00 0.00 C ATOM 1035 C ARG A 66 -4.157 7.603 5.802 1.00 0.00 C ATOM 1036 O ARG A 66 -3.895 6.400 5.832 1.00 0.00 O ATOM 1037 CB ARG A 66 -4.419 9.365 7.559 1.00 0.00 C ATOM 1038 CG ARG A 66 -5.388 8.476 8.320 1.00 0.00 C ATOM 1039 CD ARG A 66 -6.008 9.210 9.499 1.00 0.00 C ATOM 1040 NE ARG A 66 -7.207 9.949 9.115 1.00 0.00 N ATOM 1041 CZ ARG A 66 -8.081 10.437 9.989 1.00 0.00 C ATOM 1042 NH1 ARG A 66 -7.889 10.267 11.289 1.00 0.00 N ATOM 1043 NH2 ARG A 66 -9.150 11.099 9.562 1.00 0.00 N ATOM 0 H ARG A 66 -2.689 10.485 6.186 1.00 0.00 H new ATOM 0 HA ARG A 66 -2.751 8.026 7.358 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.873 9.985 8.270 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -4.986 10.040 6.917 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.175 8.135 7.648 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -4.866 7.588 8.676 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.259 8.493 10.281 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.277 9.899 9.922 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.384 10.099 8.122 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.068 9.760 11.621 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.562 10.643 11.957 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -9.301 11.233 8.562 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -9.820 11.473 10.234 1.00 0.00 H new ATOM 1057 N ARG A 67 -5.085 8.121 5.004 1.00 0.00 N ATOM 1058 CA ARG A 67 -5.865 7.288 4.097 1.00 0.00 C ATOM 1059 C ARG A 67 -4.980 6.242 3.423 1.00 0.00 C ATOM 1060 O ARG A 67 -5.325 5.063 3.372 1.00 0.00 O ATOM 1061 CB ARG A 67 -6.548 8.153 3.036 1.00 0.00 C ATOM 1062 CG ARG A 67 -7.665 7.436 2.294 1.00 0.00 C ATOM 1063 CD ARG A 67 -8.272 8.319 1.215 1.00 0.00 C ATOM 1064 NE ARG A 67 -9.467 7.720 0.626 1.00 0.00 N ATOM 1065 CZ ARG A 67 -10.650 7.697 1.228 1.00 0.00 C ATOM 1066 NH1 ARG A 67 -10.797 8.236 2.431 1.00 0.00 N ATOM 1067 NH2 ARG A 67 -11.691 7.133 0.628 1.00 0.00 N ATOM 0 H ARG A 67 -5.315 9.114 4.967 1.00 0.00 H new ATOM 0 HA ARG A 67 -6.627 6.773 4.682 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -6.954 9.045 3.513 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -5.801 8.488 2.316 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -7.276 6.523 1.843 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -8.440 7.138 3.000 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -8.525 9.290 1.641 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -7.533 8.497 0.434 1.00 0.00 H new ATOM 0 HE ARG A 67 -9.388 7.296 -0.298 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -10.000 8.670 2.896 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -11.707 8.217 2.891 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -11.583 6.717 -0.297 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -12.599 7.116 1.092 1.00 0.00 H new ATOM 1081 N ALA A 68 -3.838 6.686 2.906 1.00 0.00 N ATOM 1082 CA ALA A 68 -2.904 5.789 2.236 1.00 0.00 C ATOM 1083 C ALA A 68 -2.529 4.615 3.135 1.00 0.00 C ATOM 1084 O ALA A 68 -2.642 3.456 2.737 1.00 0.00 O ATOM 1085 CB ALA A 68 -1.657 6.549 1.811 1.00 0.00 C ATOM 0 H ALA A 68 -3.538 7.660 2.938 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.395 5.390 1.348 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.968 5.868 1.312 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.935 7.350 1.126 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.173 6.975 2.690 1.00 0.00 H new ATOM 1091 N VAL A 69 -2.084 4.924 4.350 1.00 0.00 N ATOM 1092 CA VAL A 69 -1.694 3.895 5.305 1.00 0.00 C ATOM 1093 C VAL A 69 -2.755 2.805 5.403 1.00 0.00 C ATOM 1094 O VAL A 69 -2.467 1.624 5.205 1.00 0.00 O ATOM 1095 CB VAL A 69 -1.455 4.490 6.705 1.00 0.00 C ATOM 1096 CG1 VAL A 69 -1.106 3.394 7.700 1.00 0.00 C ATOM 1097 CG2 VAL A 69 -0.359 5.543 6.655 1.00 0.00 C ATOM 0 H VAL A 69 -1.985 5.879 4.695 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.764 3.461 4.939 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.375 4.970 7.038 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.941 3.834 8.683 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.927 2.679 7.756 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.200 2.882 7.375 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.203 5.953 7.653 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.566 5.089 6.301 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.654 6.343 5.976 1.00 0.00 H new ATOM 1107 N ILE A 70 -3.984 3.209 5.708 1.00 0.00 N ATOM 1108 CA ILE A 70 -5.089 2.266 5.830 1.00 0.00 C ATOM 1109 C ILE A 70 -5.318 1.515 4.523 1.00 0.00 C ATOM 1110 O ILE A 70 -5.274 0.286 4.487 1.00 0.00 O ATOM 1111 CB ILE A 70 -6.392 2.978 6.236 1.00 0.00 C ATOM 1112 CG1 ILE A 70 -6.225 3.661 7.595 1.00 0.00 C ATOM 1113 CG2 ILE A 70 -7.547 1.987 6.275 1.00 0.00 C ATOM 1114 CD1 ILE A 70 -7.286 4.699 7.884 1.00 0.00 C ATOM 0 H ILE A 70 -4.239 4.182 5.875 1.00 0.00 H new ATOM 0 HA ILE A 70 -4.814 1.556 6.610 1.00 0.00 H new ATOM 0 HB ILE A 70 -6.617 3.742 5.492 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -6.247 2.903 8.378 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -5.244 4.135 7.636 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -8.461 2.505 6.564 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.678 1.542 5.289 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.330 1.203 7.001 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -7.105 5.142 8.863 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -7.251 5.477 7.122 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -8.269 4.227 7.875 1.00 0.00 H new ATOM 1126 N GLU A 71 -5.561 2.264 3.452 1.00 0.00 N ATOM 1127 CA GLU A 71 -5.797 1.668 2.142 1.00 0.00 C ATOM 1128 C GLU A 71 -4.803 0.542 1.870 1.00 0.00 C ATOM 1129 O GLU A 71 -5.186 -0.559 1.477 1.00 0.00 O ATOM 1130 CB GLU A 71 -5.693 2.731 1.048 1.00 0.00 C ATOM 1131 CG GLU A 71 -7.003 3.450 0.770 1.00 0.00 C ATOM 1132 CD GLU A 71 -7.994 2.584 0.018 1.00 0.00 C ATOM 1133 OE1 GLU A 71 -7.677 2.168 -1.116 1.00 0.00 O ATOM 1134 OE2 GLU A 71 -9.089 2.324 0.561 1.00 0.00 O ATOM 0 H GLU A 71 -5.600 3.283 3.465 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.803 1.250 2.137 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -4.940 3.464 1.336 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.344 2.261 0.129 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -7.446 3.768 1.714 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -6.803 4.352 0.192 1.00 0.00 H new ATOM 1141 N VAL A 72 -3.522 0.828 2.082 1.00 0.00 N ATOM 1142 CA VAL A 72 -2.471 -0.158 1.860 1.00 0.00 C ATOM 1143 C VAL A 72 -2.558 -1.292 2.877 1.00 0.00 C ATOM 1144 O VAL A 72 -2.515 -2.466 2.515 1.00 0.00 O ATOM 1145 CB VAL A 72 -1.073 0.482 1.942 1.00 0.00 C ATOM 1146 CG1 VAL A 72 0.009 -0.575 1.789 1.00 0.00 C ATOM 1147 CG2 VAL A 72 -0.923 1.568 0.885 1.00 0.00 C ATOM 0 H VAL A 72 -3.187 1.735 2.407 1.00 0.00 H new ATOM 0 HA VAL A 72 -2.621 -0.559 0.857 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.960 0.942 2.923 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.990 -0.103 1.850 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.088 -1.313 2.585 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -0.098 -1.067 0.822 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.071 2.010 0.956 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.056 1.133 -0.105 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.676 2.339 1.046 1.00 0.00 H new ATOM 1157 N GLN A 73 -2.682 -0.929 4.150 1.00 0.00 N ATOM 1158 CA GLN A 73 -2.775 -1.916 5.219 1.00 0.00 C ATOM 1159 C GLN A 73 -3.968 -2.841 5.003 1.00 0.00 C ATOM 1160 O GLN A 73 -4.004 -3.957 5.524 1.00 0.00 O ATOM 1161 CB GLN A 73 -2.893 -1.220 6.576 1.00 0.00 C ATOM 1162 CG GLN A 73 -1.556 -0.788 7.156 1.00 0.00 C ATOM 1163 CD GLN A 73 -0.799 -1.937 7.794 1.00 0.00 C ATOM 1164 OE1 GLN A 73 -1.398 -2.860 8.346 1.00 0.00 O ATOM 1165 NE2 GLN A 73 0.526 -1.885 7.721 1.00 0.00 N ATOM 0 H GLN A 73 -2.720 0.040 4.466 1.00 0.00 H new ATOM 0 HA GLN A 73 -1.866 -2.517 5.205 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -3.534 -0.345 6.472 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -3.384 -1.893 7.279 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -0.946 -0.350 6.366 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -1.722 -0.009 7.900 1.00 0.00 H new ATOM 0 HE21 GLN A 73 0.981 -1.101 7.254 1.00 0.00 H new ATOM 0 HE22 GLN A 73 1.089 -2.629 8.132 1.00 0.00 H new ATOM 1174 N THR A 74 -4.943 -2.371 4.233 1.00 0.00 N ATOM 1175 CA THR A 74 -6.138 -3.155 3.949 1.00 0.00 C ATOM 1176 C THR A 74 -5.790 -4.439 3.205 1.00 0.00 C ATOM 1177 O THR A 74 -6.378 -5.493 3.453 1.00 0.00 O ATOM 1178 CB THR A 74 -7.154 -2.351 3.116 1.00 0.00 C ATOM 1179 OG1 THR A 74 -7.444 -1.108 3.764 1.00 0.00 O ATOM 1180 CG2 THR A 74 -8.440 -3.139 2.920 1.00 0.00 C ATOM 0 H THR A 74 -4.929 -1.450 3.794 1.00 0.00 H new ATOM 0 HA THR A 74 -6.586 -3.406 4.910 1.00 0.00 H new ATOM 0 HB THR A 74 -6.714 -2.157 2.138 1.00 0.00 H new ATOM 0 HG1 THR A 74 -6.666 -0.516 3.700 1.00 0.00 H new ATOM 0 HG21 THR A 74 -9.141 -2.550 2.329 1.00 0.00 H new ATOM 0 HG22 THR A 74 -8.220 -4.071 2.399 1.00 0.00 H new ATOM 0 HG23 THR A 74 -8.882 -3.362 3.891 1.00 0.00 H new ATOM 1188 N LEU A 75 -4.832 -4.345 2.290 1.00 0.00 N ATOM 1189 CA LEU A 75 -4.404 -5.501 1.508 1.00 0.00 C ATOM 1190 C LEU A 75 -3.642 -6.494 2.378 1.00 0.00 C ATOM 1191 O LEU A 75 -4.020 -7.662 2.482 1.00 0.00 O ATOM 1192 CB LEU A 75 -3.528 -5.053 0.338 1.00 0.00 C ATOM 1193 CG LEU A 75 -4.260 -4.729 -0.964 1.00 0.00 C ATOM 1194 CD1 LEU A 75 -3.315 -4.077 -1.962 1.00 0.00 C ATOM 1195 CD2 LEU A 75 -4.879 -5.987 -1.556 1.00 0.00 C ATOM 0 H LEU A 75 -4.336 -3.481 2.071 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.294 -5.996 1.119 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.969 -4.170 0.646 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.798 -5.837 0.136 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.061 -4.024 -0.741 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.855 -3.854 -2.882 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.921 -3.153 -1.540 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.491 -4.756 -2.180 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.396 -5.737 -2.482 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.095 -6.715 -1.763 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.590 -6.411 -0.847 1.00 0.00 H new ATOM 1207 N ILE A 76 -2.569 -6.023 3.004 1.00 0.00 N ATOM 1208 CA ILE A 76 -1.755 -6.869 3.868 1.00 0.00 C ATOM 1209 C ILE A 76 -2.629 -7.753 4.752 1.00 0.00 C ATOM 1210 O ILE A 76 -2.244 -8.865 5.112 1.00 0.00 O ATOM 1211 CB ILE A 76 -0.822 -6.031 4.762 1.00 0.00 C ATOM 1212 CG1 ILE A 76 0.241 -5.332 3.911 1.00 0.00 C ATOM 1213 CG2 ILE A 76 -0.169 -6.911 5.817 1.00 0.00 C ATOM 1214 CD1 ILE A 76 1.005 -4.262 4.659 1.00 0.00 C ATOM 0 H ILE A 76 -2.243 -5.059 2.929 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.149 -7.497 3.214 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.415 -5.269 5.269 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.945 -6.077 3.539 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.239 -4.884 3.041 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.487 -6.305 6.441 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -0.940 -7.368 6.438 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.414 -7.692 5.329 1.00 0.00 H new ATOM 0 HD11 ILE A 76 1.741 -3.809 3.995 1.00 0.00 H new ATOM 0 HD12 ILE A 76 0.312 -3.497 5.008 1.00 0.00 H new ATOM 0 HD13 ILE A 76 1.513 -4.708 5.514 1.00 0.00 H new ATOM 1226 N THR A 77 -3.810 -7.250 5.099 1.00 0.00 N ATOM 1227 CA THR A 77 -4.739 -7.993 5.940 1.00 0.00 C ATOM 1228 C THR A 77 -5.452 -9.080 5.144 1.00 0.00 C ATOM 1229 O THR A 77 -5.605 -10.209 5.614 1.00 0.00 O ATOM 1230 CB THR A 77 -5.791 -7.062 6.572 1.00 0.00 C ATOM 1231 OG1 THR A 77 -5.145 -6.060 7.365 1.00 0.00 O ATOM 1232 CG2 THR A 77 -6.763 -7.852 7.437 1.00 0.00 C ATOM 0 H THR A 77 -4.145 -6.331 4.810 1.00 0.00 H new ATOM 0 HA THR A 77 -4.149 -8.454 6.732 1.00 0.00 H new ATOM 0 HB THR A 77 -6.351 -6.584 5.768 1.00 0.00 H new ATOM 0 HG1 THR A 77 -4.768 -5.371 6.778 1.00 0.00 H new ATOM 0 HG21 THR A 77 -7.496 -7.174 7.873 1.00 0.00 H new ATOM 0 HG22 THR A 77 -7.274 -8.595 6.824 1.00 0.00 H new ATOM 0 HG23 THR A 77 -6.215 -8.354 8.234 1.00 0.00 H new ATOM 1240 N TYR A 78 -5.888 -8.735 3.939 1.00 0.00 N ATOM 1241 CA TYR A 78 -6.587 -9.682 3.078 1.00 0.00 C ATOM 1242 C TYR A 78 -5.881 -11.035 3.070 1.00 0.00 C ATOM 1243 O TYR A 78 -6.483 -12.063 3.380 1.00 0.00 O ATOM 1244 CB TYR A 78 -6.682 -9.135 1.653 1.00 0.00 C ATOM 1245 CG TYR A 78 -7.046 -10.183 0.625 1.00 0.00 C ATOM 1246 CD1 TYR A 78 -8.319 -10.737 0.588 1.00 0.00 C ATOM 1247 CD2 TYR A 78 -6.114 -10.618 -0.310 1.00 0.00 C ATOM 1248 CE1 TYR A 78 -8.654 -11.695 -0.349 1.00 0.00 C ATOM 1249 CE2 TYR A 78 -6.441 -11.575 -1.252 1.00 0.00 C ATOM 1250 CZ TYR A 78 -7.712 -12.110 -1.267 1.00 0.00 C ATOM 1251 OH TYR A 78 -8.043 -13.064 -2.202 1.00 0.00 O ATOM 0 H TYR A 78 -5.770 -7.806 3.535 1.00 0.00 H new ATOM 0 HA TYR A 78 -7.593 -9.820 3.474 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -7.426 -8.339 1.627 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -5.726 -8.687 1.380 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -9.060 -10.413 1.304 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -5.118 -10.201 -0.300 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -9.648 -12.117 -0.363 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -5.706 -11.902 -1.972 1.00 0.00 H new ATOM 0 HH TYR A 78 -7.268 -13.244 -2.774 1.00 0.00 H new ATOM 1261 N ILE A 79 -4.601 -11.023 2.712 1.00 0.00 N ATOM 1262 CA ILE A 79 -3.811 -12.248 2.665 1.00 0.00 C ATOM 1263 C ILE A 79 -3.860 -12.985 3.999 1.00 0.00 C ATOM 1264 O ILE A 79 -4.342 -14.116 4.077 1.00 0.00 O ATOM 1265 CB ILE A 79 -2.342 -11.956 2.306 1.00 0.00 C ATOM 1266 CG1 ILE A 79 -2.251 -11.312 0.921 1.00 0.00 C ATOM 1267 CG2 ILE A 79 -1.521 -13.236 2.356 1.00 0.00 C ATOM 1268 CD1 ILE A 79 -2.361 -9.804 0.948 1.00 0.00 C ATOM 0 H ILE A 79 -4.090 -10.180 2.451 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.248 -12.877 1.889 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.936 -11.258 3.038 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -1.303 -11.591 0.461 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -3.043 -11.715 0.289 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.485 -13.014 2.100 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.564 -13.657 3.360 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -1.925 -13.955 1.643 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -2.288 -9.416 -0.068 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.320 -9.517 1.378 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.554 -9.391 1.553 1.00 0.00 H new ATOM 1280 N ASP A 80 -3.359 -12.338 5.045 1.00 0.00 N ATOM 1281 CA ASP A 80 -3.349 -12.931 6.378 1.00 0.00 C ATOM 1282 C ASP A 80 -4.624 -13.730 6.627 1.00 0.00 C ATOM 1283 O ASP A 80 -4.572 -14.887 7.049 1.00 0.00 O ATOM 1284 CB ASP A 80 -3.198 -11.843 7.442 1.00 0.00 C ATOM 1285 CG ASP A 80 -3.033 -12.416 8.836 1.00 0.00 C ATOM 1286 OD1 ASP A 80 -3.576 -13.510 9.095 1.00 0.00 O ATOM 1287 OD2 ASP A 80 -2.361 -11.770 9.667 1.00 0.00 O ATOM 0 H ASP A 80 -2.954 -11.403 4.996 1.00 0.00 H new ATOM 0 HA ASP A 80 -2.499 -13.610 6.440 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -2.335 -11.222 7.203 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -4.073 -11.194 7.420 1.00 0.00 H new ATOM 1292 N LEU A 81 -5.767 -13.108 6.365 1.00 0.00 N ATOM 1293 CA LEU A 81 -7.056 -13.761 6.563 1.00 0.00 C ATOM 1294 C LEU A 81 -7.106 -15.100 5.833 1.00 0.00 C ATOM 1295 O LEU A 81 -7.382 -16.138 6.435 1.00 0.00 O ATOM 1296 CB LEU A 81 -8.189 -12.857 6.071 1.00 0.00 C ATOM 1297 CG LEU A 81 -8.442 -11.592 6.893 1.00 0.00 C ATOM 1298 CD1 LEU A 81 -9.611 -10.808 6.318 1.00 0.00 C ATOM 1299 CD2 LEU A 81 -8.702 -11.946 8.350 1.00 0.00 C ATOM 0 H LEU A 81 -5.828 -12.152 6.015 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.182 -13.944 7.630 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.972 -12.562 5.044 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.109 -13.441 6.047 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.551 -10.966 6.845 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -9.777 -9.911 6.915 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.387 -10.523 5.290 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.508 -11.427 6.336 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.880 -11.034 8.920 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.577 -12.592 8.417 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -7.835 -12.466 8.758 1.00 0.00 H new ATOM 1311 N LYS A 82 -6.835 -15.069 4.533 1.00 0.00 N ATOM 1312 CA LYS A 82 -6.846 -16.279 3.720 1.00 0.00 C ATOM 1313 C LYS A 82 -5.660 -17.176 4.066 1.00 0.00 C ATOM 1314 O LYS A 82 -5.825 -18.226 4.686 1.00 0.00 O ATOM 1315 CB LYS A 82 -6.810 -15.920 2.233 1.00 0.00 C ATOM 1316 CG LYS A 82 -8.167 -15.538 1.668 1.00 0.00 C ATOM 1317 CD LYS A 82 -8.713 -14.282 2.328 1.00 0.00 C ATOM 1318 CE LYS A 82 -10.124 -13.971 1.853 1.00 0.00 C ATOM 1319 NZ LYS A 82 -11.129 -14.881 2.468 1.00 0.00 N ATOM 0 H LYS A 82 -6.605 -14.218 4.019 1.00 0.00 H new ATOM 0 HA LYS A 82 -7.766 -16.823 3.934 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -6.117 -15.092 2.084 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -6.418 -16.768 1.672 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -8.083 -15.378 0.593 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -8.867 -16.360 1.814 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -8.712 -14.409 3.411 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -8.059 -13.439 2.105 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -10.371 -12.938 2.099 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -10.170 -14.060 0.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -12.083 -14.605 2.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -10.939 -15.859 2.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -11.069 -14.815 3.504 1.00 0.00 H new ATOM 1333 N GLU A 83 -4.467 -16.754 3.660 1.00 0.00 N ATOM 1334 CA GLU A 83 -3.255 -17.519 3.928 1.00 0.00 C ATOM 1335 C GLU A 83 -3.318 -18.175 5.306 1.00 0.00 C ATOM 1336 O GLU A 83 -3.104 -19.379 5.443 1.00 0.00 O ATOM 1337 CB GLU A 83 -2.024 -16.617 3.837 1.00 0.00 C ATOM 1338 CG GLU A 83 -0.767 -17.343 3.385 1.00 0.00 C ATOM 1339 CD GLU A 83 -0.084 -18.084 4.517 1.00 0.00 C ATOM 1340 OE1 GLU A 83 0.757 -17.468 5.206 1.00 0.00 O ATOM 1341 OE2 GLU A 83 -0.388 -19.279 4.715 1.00 0.00 O ATOM 0 H GLU A 83 -4.314 -15.887 3.145 1.00 0.00 H new ATOM 0 HA GLU A 83 -3.178 -18.303 3.174 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -2.232 -15.802 3.143 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -1.842 -16.166 4.813 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -1.024 -18.050 2.596 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -0.071 -16.623 2.954 1.00 0.00 H new