USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 404 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 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0.539 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN :FLIP amide:sc= -0.677 F(o=-2.5!,f=-0.68) USER MOD Single : A 21 ASN :FLIP amide:sc= -0.432 F(o=-4.5!,f=-0.43) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot -56:sc= 0.799 USER MOD Single : A 49 ASN : amide:sc= -0.83 K(o=-0.83,f=-1.7!) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 93 N GLU A 10 1.978 8.610 -1.774 1.00 0.00 N ATOM 94 CA GLU A 10 1.442 7.591 -2.669 1.00 0.00 C ATOM 95 C GLU A 10 1.982 6.211 -2.307 1.00 0.00 C ATOM 96 O GLU A 10 3.160 6.058 -1.982 1.00 0.00 O ATOM 97 CB GLU A 10 1.791 7.922 -4.122 1.00 0.00 C ATOM 98 CG GLU A 10 0.872 8.957 -4.748 1.00 0.00 C ATOM 99 CD GLU A 10 1.256 9.290 -6.177 1.00 0.00 C ATOM 100 OE1 GLU A 10 2.466 9.290 -6.482 1.00 0.00 O ATOM 101 OE2 GLU A 10 0.344 9.550 -6.990 1.00 0.00 O ATOM 0 HA GLU A 10 0.358 7.579 -2.557 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.818 8.286 -4.166 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.751 7.008 -4.714 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.153 8.587 -4.728 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.894 9.867 -4.148 1.00 0.00 H new ATOM 108 N TYR A 11 1.112 5.209 -2.364 1.00 0.00 N ATOM 109 CA TYR A 11 1.499 3.841 -2.039 1.00 0.00 C ATOM 110 C TYR A 11 1.584 2.985 -3.299 1.00 0.00 C ATOM 111 O TYR A 11 0.709 3.044 -4.164 1.00 0.00 O ATOM 112 CB TYR A 11 0.500 3.225 -1.058 1.00 0.00 C ATOM 113 CG TYR A 11 0.701 3.675 0.372 1.00 0.00 C ATOM 114 CD1 TYR A 11 0.760 5.025 0.695 1.00 0.00 C ATOM 115 CD2 TYR A 11 0.830 2.749 1.400 1.00 0.00 C ATOM 116 CE1 TYR A 11 0.944 5.440 1.999 1.00 0.00 C ATOM 117 CE2 TYR A 11 1.013 3.155 2.708 1.00 0.00 C ATOM 118 CZ TYR A 11 1.069 4.501 3.002 1.00 0.00 C ATOM 119 OH TYR A 11 1.251 4.910 4.304 1.00 0.00 O ATOM 0 H TYR A 11 0.134 5.318 -2.632 1.00 0.00 H new ATOM 0 HA TYR A 11 2.484 3.870 -1.574 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -0.511 3.482 -1.373 1.00 0.00 H new ATOM 0 HB3 TYR A 11 0.581 2.139 -1.103 1.00 0.00 H new ATOM 0 HD1 TYR A 11 0.660 5.763 -0.088 1.00 0.00 H new ATOM 0 HD2 TYR A 11 0.786 1.694 1.173 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.990 6.493 2.232 1.00 0.00 H new ATOM 0 HE2 TYR A 11 1.112 2.422 3.495 1.00 0.00 H new ATOM 0 HH TYR A 11 1.320 4.125 4.887 1.00 0.00 H new ATOM 129 N ARG A 12 2.644 2.189 -3.396 1.00 0.00 N ATOM 130 CA ARG A 12 2.845 1.321 -4.549 1.00 0.00 C ATOM 131 C ARG A 12 2.400 -0.105 -4.241 1.00 0.00 C ATOM 132 O ARG A 12 2.936 -0.753 -3.341 1.00 0.00 O ATOM 133 CB ARG A 12 4.317 1.328 -4.969 1.00 0.00 C ATOM 134 CG ARG A 12 4.558 0.746 -6.352 1.00 0.00 C ATOM 135 CD ARG A 12 6.043 0.664 -6.671 1.00 0.00 C ATOM 136 NE ARG A 12 6.317 -0.260 -7.768 1.00 0.00 N ATOM 137 CZ ARG A 12 7.491 -0.341 -8.385 1.00 0.00 C ATOM 138 NH1 ARG A 12 8.493 0.444 -8.014 1.00 0.00 N ATOM 139 NH2 ARG A 12 7.663 -1.207 -9.375 1.00 0.00 N ATOM 0 H ARG A 12 3.377 2.128 -2.689 1.00 0.00 H new ATOM 0 HA ARG A 12 2.238 1.703 -5.370 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.688 2.353 -4.946 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.897 0.762 -4.240 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.117 -0.249 -6.411 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.058 1.362 -7.099 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.413 1.656 -6.931 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.587 0.344 -5.783 1.00 0.00 H new ATOM 0 HE ARG A 12 5.566 -0.877 -8.078 1.00 0.00 H new ATOM 0 HH11 ARG A 12 8.363 1.112 -7.254 1.00 0.00 H new ATOM 0 HH12 ARG A 12 9.393 0.380 -8.489 1.00 0.00 H new ATOM 0 HH21 ARG A 12 6.894 -1.811 -9.663 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.565 -1.268 -9.848 1.00 0.00 H new ATOM 153 N ALA A 13 1.416 -0.588 -4.992 1.00 0.00 N ATOM 154 CA ALA A 13 0.900 -1.938 -4.800 1.00 0.00 C ATOM 155 C ALA A 13 2.036 -2.944 -4.649 1.00 0.00 C ATOM 156 O ALA A 13 3.145 -2.721 -5.136 1.00 0.00 O ATOM 157 CB ALA A 13 -0.003 -2.328 -5.961 1.00 0.00 C ATOM 0 H ALA A 13 0.960 -0.065 -5.739 1.00 0.00 H new ATOM 0 HA ALA A 13 0.316 -1.949 -3.880 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.381 -3.338 -5.804 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.840 -1.632 -6.020 1.00 0.00 H new ATOM 0 HB3 ALA A 13 0.564 -2.293 -6.891 1.00 0.00 H new ATOM 163 N LEU A 14 1.753 -4.051 -3.972 1.00 0.00 N ATOM 164 CA LEU A 14 2.752 -5.093 -3.757 1.00 0.00 C ATOM 165 C LEU A 14 2.401 -6.353 -4.541 1.00 0.00 C ATOM 166 O LEU A 14 3.271 -6.983 -5.144 1.00 0.00 O ATOM 167 CB LEU A 14 2.864 -5.419 -2.267 1.00 0.00 C ATOM 168 CG LEU A 14 3.703 -4.454 -1.429 1.00 0.00 C ATOM 169 CD1 LEU A 14 3.421 -4.649 0.052 1.00 0.00 C ATOM 170 CD2 LEU A 14 5.184 -4.643 -1.722 1.00 0.00 C ATOM 0 H LEU A 14 0.840 -4.251 -3.562 1.00 0.00 H new ATOM 0 HA LEU A 14 3.713 -4.721 -4.114 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.859 -5.454 -1.847 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.287 -6.419 -2.165 1.00 0.00 H new ATOM 0 HG LEU A 14 3.427 -3.434 -1.698 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.027 -3.954 0.632 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.365 -4.462 0.249 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.668 -5.671 0.338 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.766 -3.948 -1.117 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.475 -5.666 -1.481 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.373 -4.451 -2.778 1.00 0.00 H new ATOM 182 N TYR A 15 1.123 -6.715 -4.529 1.00 0.00 N ATOM 183 CA TYR A 15 0.658 -7.901 -5.238 1.00 0.00 C ATOM 184 C TYR A 15 -0.673 -7.632 -5.934 1.00 0.00 C ATOM 185 O TYR A 15 -1.390 -6.694 -5.586 1.00 0.00 O ATOM 186 CB TYR A 15 0.512 -9.076 -4.270 1.00 0.00 C ATOM 187 CG TYR A 15 1.663 -9.206 -3.298 1.00 0.00 C ATOM 188 CD1 TYR A 15 1.636 -8.556 -2.069 1.00 0.00 C ATOM 189 CD2 TYR A 15 2.776 -9.976 -3.607 1.00 0.00 C ATOM 190 CE1 TYR A 15 2.686 -8.671 -1.178 1.00 0.00 C ATOM 191 CE2 TYR A 15 3.829 -10.098 -2.721 1.00 0.00 C ATOM 192 CZ TYR A 15 3.780 -9.443 -1.508 1.00 0.00 C ATOM 193 OH TYR A 15 4.827 -9.561 -0.624 1.00 0.00 O ATOM 0 H TYR A 15 0.391 -6.204 -4.036 1.00 0.00 H new ATOM 0 HA TYR A 15 1.399 -8.154 -5.996 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.415 -8.961 -3.709 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.425 -9.999 -4.843 1.00 0.00 H new ATOM 0 HD1 TYR A 15 0.780 -7.951 -1.807 1.00 0.00 H new ATOM 0 HD2 TYR A 15 2.819 -10.489 -4.557 1.00 0.00 H new ATOM 0 HE1 TYR A 15 2.650 -8.159 -0.228 1.00 0.00 H new ATOM 0 HE2 TYR A 15 4.686 -10.703 -2.977 1.00 0.00 H new ATOM 0 HH TYR A 15 5.517 -10.141 -1.009 1.00 0.00 H new ATOM 203 N ASP A 16 -0.997 -8.464 -6.918 1.00 0.00 N ATOM 204 CA ASP A 16 -2.242 -8.319 -7.663 1.00 0.00 C ATOM 205 C ASP A 16 -3.425 -8.835 -6.849 1.00 0.00 C ATOM 206 O ASP A 16 -3.475 -10.010 -6.485 1.00 0.00 O ATOM 207 CB ASP A 16 -2.156 -9.068 -8.993 1.00 0.00 C ATOM 208 CG ASP A 16 -1.767 -10.522 -8.814 1.00 0.00 C ATOM 209 OD1 ASP A 16 -0.568 -10.793 -8.601 1.00 0.00 O ATOM 210 OD2 ASP A 16 -2.663 -11.390 -8.889 1.00 0.00 O ATOM 0 H ASP A 16 -0.415 -9.246 -7.218 1.00 0.00 H new ATOM 0 HA ASP A 16 -2.396 -7.259 -7.862 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -3.119 -9.012 -9.501 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.427 -8.576 -9.637 1.00 0.00 H new ATOM 215 N TYR A 17 -4.375 -7.950 -6.568 1.00 0.00 N ATOM 216 CA TYR A 17 -5.555 -8.316 -5.794 1.00 0.00 C ATOM 217 C TYR A 17 -6.833 -7.968 -6.553 1.00 0.00 C ATOM 218 O TYR A 17 -6.889 -6.972 -7.275 1.00 0.00 O ATOM 219 CB TYR A 17 -5.544 -7.605 -4.440 1.00 0.00 C ATOM 220 CG TYR A 17 -6.859 -7.693 -3.699 1.00 0.00 C ATOM 221 CD1 TYR A 17 -7.156 -8.788 -2.897 1.00 0.00 C ATOM 222 CD2 TYR A 17 -7.805 -6.679 -3.800 1.00 0.00 C ATOM 223 CE1 TYR A 17 -8.356 -8.872 -2.219 1.00 0.00 C ATOM 224 CE2 TYR A 17 -9.007 -6.755 -3.125 1.00 0.00 C ATOM 225 CZ TYR A 17 -9.279 -7.853 -2.336 1.00 0.00 C ATOM 226 OH TYR A 17 -10.475 -7.933 -1.661 1.00 0.00 O ATOM 0 H TYR A 17 -4.351 -6.974 -6.865 1.00 0.00 H new ATOM 0 HA TYR A 17 -5.532 -9.393 -5.631 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -4.758 -8.035 -3.820 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -5.292 -6.556 -4.592 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -6.436 -9.587 -2.802 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -7.596 -5.817 -4.417 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -8.571 -9.731 -1.600 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -9.731 -5.958 -3.214 1.00 0.00 H new ATOM 0 HH TYR A 17 -11.011 -7.135 -1.850 1.00 0.00 H new ATOM 236 N THR A 18 -7.858 -8.798 -6.384 1.00 0.00 N ATOM 237 CA THR A 18 -9.135 -8.580 -7.052 1.00 0.00 C ATOM 238 C THR A 18 -10.194 -8.094 -6.069 1.00 0.00 C ATOM 239 O THR A 18 -10.222 -8.516 -4.913 1.00 0.00 O ATOM 240 CB THR A 18 -9.637 -9.866 -7.735 1.00 0.00 C ATOM 241 OG1 THR A 18 -10.615 -9.542 -8.730 1.00 0.00 O ATOM 242 CG2 THR A 18 -10.241 -10.820 -6.715 1.00 0.00 C ATOM 0 H THR A 18 -7.828 -9.627 -5.790 1.00 0.00 H new ATOM 0 HA THR A 18 -8.969 -7.815 -7.810 1.00 0.00 H new ATOM 0 HB THR A 18 -8.786 -10.356 -8.208 1.00 0.00 H new ATOM 0 HG1 THR A 18 -10.928 -10.365 -9.161 1.00 0.00 H new ATOM 0 HG21 THR A 18 -10.589 -11.721 -7.221 1.00 0.00 H new ATOM 0 HG22 THR A 18 -9.486 -11.087 -5.975 1.00 0.00 H new ATOM 0 HG23 THR A 18 -11.081 -10.336 -6.217 1.00 0.00 H new ATOM 250 N ALA A 19 -11.063 -7.204 -6.536 1.00 0.00 N ATOM 251 CA ALA A 19 -12.126 -6.662 -5.698 1.00 0.00 C ATOM 252 C ALA A 19 -13.457 -7.345 -5.989 1.00 0.00 C ATOM 253 O ALA A 19 -14.162 -6.975 -6.928 1.00 0.00 O ATOM 254 CB ALA A 19 -12.246 -5.159 -5.904 1.00 0.00 C ATOM 0 H ALA A 19 -11.052 -6.843 -7.490 1.00 0.00 H new ATOM 0 HA ALA A 19 -11.868 -6.856 -4.657 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -13.043 -4.768 -5.272 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -11.304 -4.679 -5.639 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -12.477 -4.952 -6.949 1.00 0.00 H new ATOM 260 N GLN A 20 -13.794 -8.344 -5.180 1.00 0.00 N ATOM 261 CA GLN A 20 -15.041 -9.080 -5.353 1.00 0.00 C ATOM 262 C GLN A 20 -16.235 -8.131 -5.370 1.00 0.00 C ATOM 263 O GLN A 20 -17.084 -8.201 -6.258 1.00 0.00 O ATOM 264 CB GLN A 20 -15.209 -10.111 -4.235 1.00 0.00 C ATOM 265 CG GLN A 20 -14.211 -11.255 -4.308 1.00 0.00 C ATOM 266 CD GLN A 20 -14.151 -11.890 -5.683 1.00 0.00 C ATOM 267 OE1 GLN A 20 -13.421 -11.259 -6.596 1.00 0.00 O flip ATOM 268 NE2 GLN A 20 -14.753 -12.937 -5.924 1.00 0.00 N flip ATOM 0 H GLN A 20 -13.221 -8.662 -4.398 1.00 0.00 H new ATOM 0 HA GLN A 20 -14.998 -9.598 -6.311 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -15.106 -9.611 -3.272 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -16.219 -10.518 -4.276 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -13.221 -10.886 -4.039 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -14.479 -12.014 -3.573 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -15.303 -13.389 -5.193 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -14.702 -13.352 -6.854 1.00 0.00 H new ATOM 277 N ASN A 21 -16.294 -7.245 -4.381 1.00 0.00 N ATOM 278 CA ASN A 21 -17.385 -6.282 -4.282 1.00 0.00 C ATOM 279 C ASN A 21 -17.194 -5.139 -5.274 1.00 0.00 C ATOM 280 O ASN A 21 -16.076 -4.807 -5.669 1.00 0.00 O ATOM 281 CB ASN A 21 -17.476 -5.728 -2.859 1.00 0.00 C ATOM 282 CG ASN A 21 -17.182 -6.781 -1.808 1.00 0.00 C ATOM 283 OD1 ASN A 21 -15.903 -6.986 -1.517 1.00 0.00 O flip ATOM 284 ND2 ASN A 21 -18.095 -7.403 -1.264 1.00 0.00 N flip ATOM 0 H ASN A 21 -15.600 -7.174 -3.637 1.00 0.00 H new ATOM 0 HA ASN A 21 -18.314 -6.797 -4.524 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -16.773 -4.902 -2.748 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -18.474 -5.322 -2.693 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -19.064 -7.213 -1.519 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -17.882 -8.108 -0.559 1.00 0.00 H new ATOM 291 N PRO A 22 -18.311 -4.521 -5.687 1.00 0.00 N ATOM 292 CA PRO A 22 -18.293 -3.405 -6.637 1.00 0.00 C ATOM 293 C PRO A 22 -17.698 -2.138 -6.031 1.00 0.00 C ATOM 294 O PRO A 22 -17.221 -1.259 -6.750 1.00 0.00 O ATOM 295 CB PRO A 22 -19.773 -3.196 -6.967 1.00 0.00 C ATOM 296 CG PRO A 22 -20.504 -3.721 -5.780 1.00 0.00 C ATOM 297 CD PRO A 22 -19.677 -4.864 -5.257 1.00 0.00 C ATOM 0 HA PRO A 22 -17.675 -3.621 -7.508 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -19.996 -2.142 -7.135 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -20.056 -3.730 -7.874 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -20.624 -2.947 -5.022 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -21.504 -4.056 -6.054 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -19.748 -4.948 -4.173 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -20.002 -5.818 -5.673 1.00 0.00 H new ATOM 305 N ASP A 23 -17.729 -2.050 -4.706 1.00 0.00 N ATOM 306 CA ASP A 23 -17.191 -0.891 -4.004 1.00 0.00 C ATOM 307 C ASP A 23 -15.669 -0.959 -3.927 1.00 0.00 C ATOM 308 O ASP A 23 -14.985 0.052 -4.077 1.00 0.00 O ATOM 309 CB ASP A 23 -17.782 -0.802 -2.595 1.00 0.00 C ATOM 310 CG ASP A 23 -19.195 -0.253 -2.594 1.00 0.00 C ATOM 311 OD1 ASP A 23 -19.377 0.916 -2.992 1.00 0.00 O ATOM 312 OD2 ASP A 23 -20.118 -0.993 -2.193 1.00 0.00 O ATOM 0 H ASP A 23 -18.121 -2.768 -4.096 1.00 0.00 H new ATOM 0 HA ASP A 23 -17.468 0.002 -4.564 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -17.780 -1.792 -2.140 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -17.148 -0.166 -1.978 1.00 0.00 H new ATOM 317 N GLU A 24 -15.147 -2.159 -3.693 1.00 0.00 N ATOM 318 CA GLU A 24 -13.706 -2.359 -3.594 1.00 0.00 C ATOM 319 C GLU A 24 -13.038 -2.180 -4.955 1.00 0.00 C ATOM 320 O GLU A 24 -13.712 -2.064 -5.979 1.00 0.00 O ATOM 321 CB GLU A 24 -13.398 -3.751 -3.041 1.00 0.00 C ATOM 322 CG GLU A 24 -13.803 -3.933 -1.588 1.00 0.00 C ATOM 323 CD GLU A 24 -13.509 -5.327 -1.070 1.00 0.00 C ATOM 324 OE1 GLU A 24 -12.657 -6.015 -1.670 1.00 0.00 O ATOM 325 OE2 GLU A 24 -14.132 -5.731 -0.066 1.00 0.00 O ATOM 0 H GLU A 24 -15.700 -3.007 -3.569 1.00 0.00 H new ATOM 0 HA GLU A 24 -13.307 -1.609 -2.911 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -13.912 -4.496 -3.649 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -12.329 -3.943 -3.138 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -13.276 -3.203 -0.974 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -14.868 -3.728 -1.483 1.00 0.00 H new ATOM 332 N LEU A 25 -11.710 -2.160 -4.957 1.00 0.00 N ATOM 333 CA LEU A 25 -10.949 -1.996 -6.191 1.00 0.00 C ATOM 334 C LEU A 25 -9.858 -3.055 -6.303 1.00 0.00 C ATOM 335 O LEU A 25 -9.337 -3.533 -5.295 1.00 0.00 O ATOM 336 CB LEU A 25 -10.328 -0.599 -6.248 1.00 0.00 C ATOM 337 CG LEU A 25 -11.305 0.564 -6.419 1.00 0.00 C ATOM 338 CD1 LEU A 25 -10.658 1.873 -5.992 1.00 0.00 C ATOM 339 CD2 LEU A 25 -11.786 0.650 -7.860 1.00 0.00 C ATOM 0 H LEU A 25 -11.138 -2.255 -4.118 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.634 -2.117 -7.030 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -9.760 -0.438 -5.332 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -9.616 -0.573 -7.073 1.00 0.00 H new ATOM 0 HG LEU A 25 -12.169 0.384 -5.779 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -11.369 2.689 -6.121 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -10.365 1.809 -4.944 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.776 2.060 -6.605 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -12.481 1.484 -7.963 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -10.932 0.806 -8.520 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -12.290 -0.278 -8.131 1.00 0.00 H new ATOM 351 N ASP A 26 -9.515 -3.416 -7.535 1.00 0.00 N ATOM 352 CA ASP A 26 -8.482 -4.416 -7.779 1.00 0.00 C ATOM 353 C ASP A 26 -7.100 -3.773 -7.815 1.00 0.00 C ATOM 354 O ASP A 26 -6.851 -2.854 -8.597 1.00 0.00 O ATOM 355 CB ASP A 26 -8.753 -5.148 -9.095 1.00 0.00 C ATOM 356 CG ASP A 26 -9.014 -4.195 -10.244 1.00 0.00 C ATOM 357 OD1 ASP A 26 -10.050 -3.498 -10.214 1.00 0.00 O ATOM 358 OD2 ASP A 26 -8.182 -4.145 -11.174 1.00 0.00 O ATOM 0 H ASP A 26 -9.937 -3.031 -8.380 1.00 0.00 H new ATOM 0 HA ASP A 26 -8.506 -5.135 -6.960 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -7.899 -5.780 -9.338 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -9.612 -5.807 -8.971 1.00 0.00 H new ATOM 363 N LEU A 27 -6.204 -4.260 -6.965 1.00 0.00 N ATOM 364 CA LEU A 27 -4.845 -3.732 -6.898 1.00 0.00 C ATOM 365 C LEU A 27 -3.946 -4.412 -7.926 1.00 0.00 C ATOM 366 O LEU A 27 -4.366 -5.342 -8.614 1.00 0.00 O ATOM 367 CB LEU A 27 -4.270 -3.924 -5.494 1.00 0.00 C ATOM 368 CG LEU A 27 -5.031 -3.240 -4.358 1.00 0.00 C ATOM 369 CD1 LEU A 27 -4.473 -3.666 -3.009 1.00 0.00 C ATOM 370 CD2 LEU A 27 -4.967 -1.727 -4.509 1.00 0.00 C ATOM 0 H LEU A 27 -6.393 -5.020 -6.312 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.884 -2.667 -7.124 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.227 -4.993 -5.284 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.244 -3.557 -5.490 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.076 -3.547 -4.410 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.027 -3.169 -2.213 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.571 -4.746 -2.900 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.421 -3.389 -2.947 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.514 -1.256 -3.692 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.927 -1.403 -4.484 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.415 -1.437 -5.460 1.00 0.00 H new ATOM 382 N SER A 28 -2.706 -3.943 -8.022 1.00 0.00 N ATOM 383 CA SER A 28 -1.747 -4.504 -8.966 1.00 0.00 C ATOM 384 C SER A 28 -0.353 -3.931 -8.731 1.00 0.00 C ATOM 385 O SER A 28 -0.164 -2.715 -8.717 1.00 0.00 O ATOM 386 CB SER A 28 -2.190 -4.222 -10.403 1.00 0.00 C ATOM 387 OG SER A 28 -1.743 -5.239 -11.284 1.00 0.00 O ATOM 0 H SER A 28 -2.342 -3.176 -7.457 1.00 0.00 H new ATOM 0 HA SER A 28 -1.709 -5.582 -8.809 1.00 0.00 H new ATOM 0 HB2 SER A 28 -3.277 -4.152 -10.445 1.00 0.00 H new ATOM 0 HB3 SER A 28 -1.796 -3.258 -10.726 1.00 0.00 H new ATOM 0 HG SER A 28 -2.040 -5.036 -12.195 1.00 0.00 H new ATOM 393 N ALA A 29 0.620 -4.817 -8.544 1.00 0.00 N ATOM 394 CA ALA A 29 1.997 -4.401 -8.311 1.00 0.00 C ATOM 395 C ALA A 29 2.460 -3.413 -9.376 1.00 0.00 C ATOM 396 O ALA A 29 2.360 -3.682 -10.572 1.00 0.00 O ATOM 397 CB ALA A 29 2.916 -5.614 -8.278 1.00 0.00 C ATOM 0 H ALA A 29 0.480 -5.827 -8.549 1.00 0.00 H new ATOM 0 HA ALA A 29 2.040 -3.899 -7.344 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.942 -5.289 -8.103 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.606 -6.284 -7.476 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.859 -6.139 -9.231 1.00 0.00 H new ATOM 403 N GLY A 30 2.968 -2.267 -8.932 1.00 0.00 N ATOM 404 CA GLY A 30 3.439 -1.256 -9.861 1.00 0.00 C ATOM 405 C GLY A 30 2.524 -0.048 -9.915 1.00 0.00 C ATOM 406 O GLY A 30 2.988 1.086 -10.028 1.00 0.00 O ATOM 0 H GLY A 30 3.062 -2.021 -7.947 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.440 -0.937 -9.570 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.520 -1.691 -10.857 1.00 0.00 H new ATOM 410 N ASP A 31 1.220 -0.292 -9.836 1.00 0.00 N ATOM 411 CA ASP A 31 0.238 0.785 -9.878 1.00 0.00 C ATOM 412 C ASP A 31 0.401 1.716 -8.680 1.00 0.00 C ATOM 413 O ASP A 31 0.741 1.276 -7.582 1.00 0.00 O ATOM 414 CB ASP A 31 -1.180 0.210 -9.903 1.00 0.00 C ATOM 415 CG ASP A 31 -1.558 -0.337 -11.265 1.00 0.00 C ATOM 416 OD1 ASP A 31 -0.972 0.116 -12.271 1.00 0.00 O ATOM 417 OD2 ASP A 31 -2.440 -1.219 -11.326 1.00 0.00 O ATOM 0 H ASP A 31 0.819 -1.225 -9.743 1.00 0.00 H new ATOM 0 HA ASP A 31 0.405 1.361 -10.788 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.260 -0.584 -9.161 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.889 0.987 -9.617 1.00 0.00 H new ATOM 422 N ILE A 32 0.158 3.004 -8.901 1.00 0.00 N ATOM 423 CA ILE A 32 0.278 3.996 -7.840 1.00 0.00 C ATOM 424 C ILE A 32 -1.094 4.452 -7.356 1.00 0.00 C ATOM 425 O ILE A 32 -1.966 4.792 -8.157 1.00 0.00 O ATOM 426 CB ILE A 32 1.080 5.225 -8.307 1.00 0.00 C ATOM 427 CG1 ILE A 32 2.481 4.806 -8.757 1.00 0.00 C ATOM 428 CG2 ILE A 32 1.161 6.259 -7.194 1.00 0.00 C ATOM 429 CD1 ILE A 32 3.280 4.113 -7.676 1.00 0.00 C ATOM 0 H ILE A 32 -0.123 3.384 -9.805 1.00 0.00 H new ATOM 0 HA ILE A 32 0.809 3.516 -7.018 1.00 0.00 H new ATOM 0 HB ILE A 32 0.566 5.675 -9.156 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.394 4.141 -9.616 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.026 5.689 -9.091 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.731 7.122 -7.539 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.155 6.576 -6.918 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.655 5.822 -6.326 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.262 3.844 -8.065 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.398 4.783 -6.825 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.757 3.211 -7.358 1.00 0.00 H new ATOM 441 N LEU A 33 -1.279 4.459 -6.041 1.00 0.00 N ATOM 442 CA LEU A 33 -2.545 4.876 -5.448 1.00 0.00 C ATOM 443 C LEU A 33 -2.315 5.870 -4.314 1.00 0.00 C ATOM 444 O LEU A 33 -1.202 5.997 -3.805 1.00 0.00 O ATOM 445 CB LEU A 33 -3.312 3.660 -4.928 1.00 0.00 C ATOM 446 CG LEU A 33 -3.716 2.621 -5.975 1.00 0.00 C ATOM 447 CD1 LEU A 33 -2.602 1.606 -6.177 1.00 0.00 C ATOM 448 CD2 LEU A 33 -5.007 1.926 -5.568 1.00 0.00 C ATOM 0 H LEU A 33 -0.568 4.181 -5.364 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.136 5.367 -6.222 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.701 3.166 -4.173 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.214 4.012 -4.428 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.887 3.135 -6.921 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.907 0.875 -6.925 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.701 2.117 -6.516 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.398 1.097 -5.235 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.279 1.190 -6.325 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.864 1.425 -4.610 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.804 2.664 -5.477 1.00 0.00 H new ATOM 460 N GLU A 34 -3.375 6.570 -3.923 1.00 0.00 N ATOM 461 CA GLU A 34 -3.288 7.551 -2.848 1.00 0.00 C ATOM 462 C GLU A 34 -4.121 7.117 -1.646 1.00 0.00 C ATOM 463 O GLU A 34 -5.325 6.887 -1.762 1.00 0.00 O ATOM 464 CB GLU A 34 -3.757 8.922 -3.339 1.00 0.00 C ATOM 465 CG GLU A 34 -3.933 9.940 -2.225 1.00 0.00 C ATOM 466 CD GLU A 34 -2.628 10.601 -1.826 1.00 0.00 C ATOM 467 OE1 GLU A 34 -1.561 9.995 -2.057 1.00 0.00 O ATOM 468 OE2 GLU A 34 -2.674 11.724 -1.282 1.00 0.00 O ATOM 0 H GLU A 34 -4.304 6.476 -4.334 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.245 7.621 -2.539 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.036 9.306 -4.060 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.704 8.805 -3.866 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.640 10.705 -2.546 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.368 9.449 -1.355 1.00 0.00 H new ATOM 475 N VAL A 35 -3.472 7.006 -0.492 1.00 0.00 N ATOM 476 CA VAL A 35 -4.152 6.600 0.733 1.00 0.00 C ATOM 477 C VAL A 35 -4.939 7.758 1.334 1.00 0.00 C ATOM 478 O VAL A 35 -4.359 8.726 1.829 1.00 0.00 O ATOM 479 CB VAL A 35 -3.154 6.072 1.781 1.00 0.00 C ATOM 480 CG1 VAL A 35 -3.879 5.681 3.059 1.00 0.00 C ATOM 481 CG2 VAL A 35 -2.367 4.896 1.222 1.00 0.00 C ATOM 0 H VAL A 35 -2.475 7.192 -0.379 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.840 5.799 0.462 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.450 6.869 2.021 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.158 5.310 3.788 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.392 6.552 3.467 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.607 4.900 2.840 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.667 4.536 1.976 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.054 4.094 0.952 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.816 5.215 0.337 1.00 0.00 H new ATOM 491 N ILE A 36 -6.263 7.654 1.289 1.00 0.00 N ATOM 492 CA ILE A 36 -7.129 8.693 1.832 1.00 0.00 C ATOM 493 C ILE A 36 -7.256 8.568 3.346 1.00 0.00 C ATOM 494 O ILE A 36 -7.008 9.524 4.082 1.00 0.00 O ATOM 495 CB ILE A 36 -8.535 8.637 1.204 1.00 0.00 C ATOM 496 CG1 ILE A 36 -8.445 8.788 -0.316 1.00 0.00 C ATOM 497 CG2 ILE A 36 -9.423 9.721 1.798 1.00 0.00 C ATOM 498 CD1 ILE A 36 -7.752 10.058 -0.757 1.00 0.00 C ATOM 0 H ILE A 36 -6.759 6.861 0.882 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.667 9.649 1.587 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.979 7.667 1.428 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -7.911 7.931 -0.727 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -9.451 8.768 -0.735 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.413 9.669 1.345 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.508 9.572 2.874 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.984 10.699 1.601 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.724 10.098 -1.846 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -8.297 10.921 -0.376 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.734 10.071 -0.368 1.00 0.00 H new ATOM 510 N LEU A 37 -7.640 7.383 3.806 1.00 0.00 N ATOM 511 CA LEU A 37 -7.798 7.131 5.235 1.00 0.00 C ATOM 512 C LEU A 37 -7.340 5.720 5.593 1.00 0.00 C ATOM 513 O LEU A 37 -7.323 4.829 4.744 1.00 0.00 O ATOM 514 CB LEU A 37 -9.257 7.326 5.649 1.00 0.00 C ATOM 515 CG LEU A 37 -9.560 7.162 7.139 1.00 0.00 C ATOM 516 CD1 LEU A 37 -8.911 8.279 7.942 1.00 0.00 C ATOM 517 CD2 LEU A 37 -11.062 7.135 7.379 1.00 0.00 C ATOM 0 H LEU A 37 -7.848 6.581 3.211 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.175 7.844 5.776 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -9.570 8.324 5.343 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -9.869 6.615 5.094 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.142 6.212 7.472 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -9.138 8.146 9.000 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -7.831 8.252 7.796 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.299 9.241 7.606 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -11.258 7.018 8.445 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -11.503 8.068 7.029 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -11.502 6.299 6.835 1.00 0.00 H new ATOM 529 N GLU A 38 -6.972 5.526 6.855 1.00 0.00 N ATOM 530 CA GLU A 38 -6.516 4.223 7.325 1.00 0.00 C ATOM 531 C GLU A 38 -7.621 3.504 8.094 1.00 0.00 C ATOM 532 O GLU A 38 -8.157 4.031 9.068 1.00 0.00 O ATOM 533 CB GLU A 38 -5.280 4.380 8.213 1.00 0.00 C ATOM 534 CG GLU A 38 -4.025 4.765 7.448 1.00 0.00 C ATOM 535 CD GLU A 38 -2.970 5.396 8.336 1.00 0.00 C ATOM 536 OE1 GLU A 38 -3.301 6.364 9.053 1.00 0.00 O ATOM 537 OE2 GLU A 38 -1.816 4.921 8.315 1.00 0.00 O ATOM 0 H GLU A 38 -6.981 6.254 7.570 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.254 3.623 6.454 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.481 5.138 8.970 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.101 3.443 8.740 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.609 3.878 6.970 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.289 5.462 6.652 1.00 0.00 H new ATOM 544 N GLY A 39 -7.956 2.298 7.648 1.00 0.00 N ATOM 545 CA GLY A 39 -8.995 1.526 8.305 1.00 0.00 C ATOM 546 C GLY A 39 -8.475 0.751 9.499 1.00 0.00 C ATOM 547 O GLY A 39 -7.517 -0.012 9.381 1.00 0.00 O ATOM 0 H GLY A 39 -7.527 1.841 6.843 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -9.791 2.196 8.630 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.435 0.832 7.589 1.00 0.00 H new ATOM 551 N GLU A 40 -9.107 0.948 10.652 1.00 0.00 N ATOM 552 CA GLU A 40 -8.699 0.262 11.872 1.00 0.00 C ATOM 553 C GLU A 40 -8.812 -1.251 11.710 1.00 0.00 C ATOM 554 O GLU A 40 -7.981 -2.005 12.218 1.00 0.00 O ATOM 555 CB GLU A 40 -9.555 0.724 13.054 1.00 0.00 C ATOM 556 CG GLU A 40 -9.237 2.135 13.520 1.00 0.00 C ATOM 557 CD GLU A 40 -10.378 2.764 14.295 1.00 0.00 C ATOM 558 OE1 GLU A 40 -10.778 2.195 15.332 1.00 0.00 O ATOM 559 OE2 GLU A 40 -10.872 3.827 13.864 1.00 0.00 O ATOM 0 H GLU A 40 -9.902 1.576 10.766 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.656 0.512 12.067 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.607 0.672 12.773 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.413 0.035 13.886 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.345 2.114 14.146 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.005 2.756 12.655 1.00 0.00 H new ATOM 566 N ASP A 41 -9.846 -1.688 10.999 1.00 0.00 N ATOM 567 CA ASP A 41 -10.069 -3.111 10.769 1.00 0.00 C ATOM 568 C ASP A 41 -9.052 -3.667 9.777 1.00 0.00 C ATOM 569 O ASP A 41 -8.605 -4.806 9.903 1.00 0.00 O ATOM 570 CB ASP A 41 -11.488 -3.350 10.251 1.00 0.00 C ATOM 571 CG ASP A 41 -11.720 -4.790 9.839 1.00 0.00 C ATOM 572 OD1 ASP A 41 -10.969 -5.287 8.974 1.00 0.00 O ATOM 573 OD2 ASP A 41 -12.652 -5.420 10.382 1.00 0.00 O ATOM 0 H ASP A 41 -10.543 -1.078 10.572 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.945 -3.631 11.719 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -12.205 -3.077 11.025 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.675 -2.697 9.399 1.00 0.00 H new ATOM 578 N GLY A 42 -8.691 -2.853 8.789 1.00 0.00 N ATOM 579 CA GLY A 42 -7.730 -3.281 7.789 1.00 0.00 C ATOM 580 C GLY A 42 -8.078 -2.783 6.400 1.00 0.00 C ATOM 581 O GLY A 42 -7.246 -2.823 5.494 1.00 0.00 O ATOM 0 H GLY A 42 -9.047 -1.905 8.664 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.739 -2.919 8.064 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.681 -4.370 7.780 1.00 0.00 H new ATOM 585 N TRP A 43 -9.309 -2.315 6.233 1.00 0.00 N ATOM 586 CA TRP A 43 -9.766 -1.809 4.943 1.00 0.00 C ATOM 587 C TRP A 43 -9.317 -0.367 4.735 1.00 0.00 C ATOM 588 O TRP A 43 -9.899 0.561 5.296 1.00 0.00 O ATOM 589 CB TRP A 43 -11.289 -1.902 4.846 1.00 0.00 C ATOM 590 CG TRP A 43 -11.789 -3.302 4.657 1.00 0.00 C ATOM 591 CD1 TRP A 43 -12.543 -4.029 5.533 1.00 0.00 C ATOM 592 CD2 TRP A 43 -11.567 -4.144 3.520 1.00 0.00 C ATOM 593 NE1 TRP A 43 -12.804 -5.273 5.010 1.00 0.00 N ATOM 594 CE2 TRP A 43 -12.217 -5.368 3.776 1.00 0.00 C ATOM 595 CE3 TRP A 43 -10.886 -3.984 2.311 1.00 0.00 C ATOM 596 CZ2 TRP A 43 -12.203 -6.422 2.867 1.00 0.00 C ATOM 597 CZ3 TRP A 43 -10.872 -5.031 1.410 1.00 0.00 C ATOM 598 CH2 TRP A 43 -11.528 -6.237 1.691 1.00 0.00 C ATOM 0 H TRP A 43 -10.009 -2.275 6.974 1.00 0.00 H new ATOM 0 HA TRP A 43 -9.322 -2.424 4.161 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -11.729 -1.486 5.752 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -11.631 -1.287 4.014 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -12.884 -3.678 6.496 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -13.347 -6.006 5.467 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -10.379 -3.058 2.085 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -12.707 -7.353 3.082 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -10.347 -4.918 0.473 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -11.500 -7.036 0.965 1.00 0.00 H new ATOM 609 N TRP A 44 -8.280 -0.186 3.925 1.00 0.00 N ATOM 610 CA TRP A 44 -7.754 1.145 3.643 1.00 0.00 C ATOM 611 C TRP A 44 -8.515 1.798 2.494 1.00 0.00 C ATOM 612 O TRP A 44 -8.878 1.138 1.521 1.00 0.00 O ATOM 613 CB TRP A 44 -6.265 1.066 3.305 1.00 0.00 C ATOM 614 CG TRP A 44 -5.389 0.909 4.512 1.00 0.00 C ATOM 615 CD1 TRP A 44 -5.684 0.221 5.654 1.00 0.00 C ATOM 616 CD2 TRP A 44 -4.078 1.453 4.695 1.00 0.00 C ATOM 617 NE1 TRP A 44 -4.635 0.305 6.537 1.00 0.00 N ATOM 618 CE2 TRP A 44 -3.637 1.054 5.972 1.00 0.00 C ATOM 619 CE3 TRP A 44 -3.232 2.236 3.905 1.00 0.00 C ATOM 620 CZ2 TRP A 44 -2.389 1.414 6.475 1.00 0.00 C ATOM 621 CZ3 TRP A 44 -1.994 2.592 4.405 1.00 0.00 C ATOM 622 CH2 TRP A 44 -1.582 2.181 5.679 1.00 0.00 C ATOM 0 H TRP A 44 -7.787 -0.943 3.452 1.00 0.00 H new ATOM 0 HA TRP A 44 -7.885 1.757 4.535 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -6.097 0.226 2.631 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -5.973 1.969 2.768 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -6.606 -0.311 5.836 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -4.604 -0.121 7.463 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.540 2.557 2.921 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -2.070 1.099 7.458 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -1.333 3.198 3.803 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.608 2.475 6.041 1.00 0.00 H new ATOM 633 N THR A 45 -8.754 3.101 2.613 1.00 0.00 N ATOM 634 CA THR A 45 -9.472 3.843 1.585 1.00 0.00 C ATOM 635 C THR A 45 -8.506 4.507 0.610 1.00 0.00 C ATOM 636 O THR A 45 -7.861 5.502 0.940 1.00 0.00 O ATOM 637 CB THR A 45 -10.382 4.922 2.203 1.00 0.00 C ATOM 638 OG1 THR A 45 -11.268 4.327 3.158 1.00 0.00 O ATOM 639 CG2 THR A 45 -11.189 5.631 1.127 1.00 0.00 C ATOM 0 H THR A 45 -8.460 3.664 3.412 1.00 0.00 H new ATOM 0 HA THR A 45 -10.088 3.122 1.048 1.00 0.00 H new ATOM 0 HB THR A 45 -9.750 5.656 2.703 1.00 0.00 H new ATOM 0 HG1 THR A 45 -11.784 3.615 2.726 1.00 0.00 H new ATOM 0 HG21 THR A 45 -11.824 6.388 1.588 1.00 0.00 H new ATOM 0 HG22 THR A 45 -10.511 6.108 0.419 1.00 0.00 H new ATOM 0 HG23 THR A 45 -11.811 4.906 0.602 1.00 0.00 H new ATOM 647 N VAL A 46 -8.412 3.950 -0.593 1.00 0.00 N ATOM 648 CA VAL A 46 -7.525 4.490 -1.617 1.00 0.00 C ATOM 649 C VAL A 46 -8.317 4.998 -2.817 1.00 0.00 C ATOM 650 O VAL A 46 -9.446 4.569 -3.055 1.00 0.00 O ATOM 651 CB VAL A 46 -6.512 3.433 -2.096 1.00 0.00 C ATOM 652 CG1 VAL A 46 -5.679 2.924 -0.929 1.00 0.00 C ATOM 653 CG2 VAL A 46 -7.228 2.285 -2.791 1.00 0.00 C ATOM 0 H VAL A 46 -8.939 3.126 -0.883 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.985 5.321 -1.162 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.839 3.900 -2.815 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.969 2.178 -1.287 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.136 3.755 -0.479 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.334 2.473 -0.184 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.497 1.548 -3.123 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.925 1.817 -2.096 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.776 2.666 -3.653 1.00 0.00 H new ATOM 663 N GLU A 47 -7.717 5.915 -3.569 1.00 0.00 N ATOM 664 CA GLU A 47 -8.368 6.483 -4.744 1.00 0.00 C ATOM 665 C GLU A 47 -7.573 6.171 -6.010 1.00 0.00 C ATOM 666 O GLU A 47 -6.347 6.068 -5.976 1.00 0.00 O ATOM 667 CB GLU A 47 -8.524 7.997 -4.587 1.00 0.00 C ATOM 668 CG GLU A 47 -9.408 8.631 -5.648 1.00 0.00 C ATOM 669 CD GLU A 47 -9.168 10.121 -5.793 1.00 0.00 C ATOM 670 OE1 GLU A 47 -8.304 10.507 -6.608 1.00 0.00 O ATOM 671 OE2 GLU A 47 -9.845 10.902 -5.091 1.00 0.00 O ATOM 0 H GLU A 47 -6.782 6.280 -3.386 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.356 6.031 -4.835 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.942 8.211 -3.603 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.538 8.461 -4.623 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.227 8.143 -6.606 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.454 8.458 -5.395 1.00 0.00 H new ATOM 678 N ARG A 48 -8.282 6.021 -7.124 1.00 0.00 N ATOM 679 CA ARG A 48 -7.644 5.719 -8.400 1.00 0.00 C ATOM 680 C ARG A 48 -8.522 6.164 -9.565 1.00 0.00 C ATOM 681 O ARG A 48 -9.713 5.859 -9.610 1.00 0.00 O ATOM 682 CB ARG A 48 -7.356 4.220 -8.508 1.00 0.00 C ATOM 683 CG ARG A 48 -6.332 3.873 -9.577 1.00 0.00 C ATOM 684 CD ARG A 48 -5.691 2.519 -9.314 1.00 0.00 C ATOM 685 NE ARG A 48 -4.804 2.113 -10.402 1.00 0.00 N ATOM 686 CZ ARG A 48 -5.234 1.573 -11.536 1.00 0.00 C ATOM 687 NH1 ARG A 48 -6.530 1.374 -11.732 1.00 0.00 N ATOM 688 NH2 ARG A 48 -4.365 1.230 -12.479 1.00 0.00 N ATOM 0 H ARG A 48 -9.298 6.104 -7.169 1.00 0.00 H new ATOM 0 HA ARG A 48 -6.703 6.267 -8.446 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -7.000 3.856 -7.544 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -8.286 3.694 -8.723 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -6.813 3.865 -10.555 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -5.561 4.643 -9.607 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -5.127 2.560 -8.382 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -6.470 1.768 -9.182 1.00 0.00 H new ATOM 0 HE ARG A 48 -3.800 2.252 -10.284 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -7.201 1.636 -11.010 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -6.856 0.959 -12.605 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -3.367 1.381 -12.332 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -4.695 0.815 -13.350 1.00 0.00 H new ATOM 702 N ASN A 49 -7.925 6.888 -10.507 1.00 0.00 N ATOM 703 CA ASN A 49 -8.653 7.376 -11.672 1.00 0.00 C ATOM 704 C ASN A 49 -9.974 8.019 -11.259 1.00 0.00 C ATOM 705 O ASN A 49 -11.001 7.823 -11.906 1.00 0.00 O ATOM 706 CB ASN A 49 -8.916 6.231 -12.652 1.00 0.00 C ATOM 707 CG ASN A 49 -9.290 6.728 -14.036 1.00 0.00 C ATOM 708 OD1 ASN A 49 -9.875 7.801 -14.184 1.00 0.00 O ATOM 709 ND2 ASN A 49 -8.952 5.948 -15.056 1.00 0.00 N ATOM 0 H ASN A 49 -6.939 7.149 -10.486 1.00 0.00 H new ATOM 0 HA ASN A 49 -8.039 8.131 -12.162 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -8.027 5.605 -12.722 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -9.718 5.603 -12.265 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -9.177 6.230 -16.010 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -8.468 5.067 -14.885 1.00 0.00 H new ATOM 716 N GLY A 50 -9.937 8.789 -10.175 1.00 0.00 N ATOM 717 CA GLY A 50 -11.136 9.450 -9.694 1.00 0.00 C ATOM 718 C GLY A 50 -12.145 8.474 -9.121 1.00 0.00 C ATOM 719 O GLY A 50 -13.343 8.756 -9.093 1.00 0.00 O ATOM 0 H GLY A 50 -9.098 8.966 -9.622 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -10.864 10.178 -8.929 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -11.595 10.004 -10.513 1.00 0.00 H new ATOM 723 N GLN A 51 -11.661 7.324 -8.665 1.00 0.00 N ATOM 724 CA GLN A 51 -12.530 6.302 -8.092 1.00 0.00 C ATOM 725 C GLN A 51 -12.104 5.961 -6.668 1.00 0.00 C ATOM 726 O GLN A 51 -10.919 5.775 -6.392 1.00 0.00 O ATOM 727 CB GLN A 51 -12.512 5.042 -8.959 1.00 0.00 C ATOM 728 CG GLN A 51 -13.011 5.272 -10.377 1.00 0.00 C ATOM 729 CD GLN A 51 -14.522 5.208 -10.481 1.00 0.00 C ATOM 730 OE1 GLN A 51 -15.200 6.236 -10.464 1.00 0.00 O ATOM 731 NE2 GLN A 51 -15.058 3.998 -10.591 1.00 0.00 N ATOM 0 H GLN A 51 -10.672 7.076 -8.681 1.00 0.00 H new ATOM 0 HA GLN A 51 -13.545 6.699 -8.062 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -11.494 4.653 -8.999 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -13.127 4.277 -8.486 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -12.667 6.246 -10.726 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -12.573 4.524 -11.038 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -14.458 3.173 -10.601 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -16.070 3.893 -10.666 1.00 0.00 H new ATOM 740 N ARG A 52 -13.078 5.879 -5.768 1.00 0.00 N ATOM 741 CA ARG A 52 -12.804 5.561 -4.372 1.00 0.00 C ATOM 742 C ARG A 52 -13.121 4.098 -4.075 1.00 0.00 C ATOM 743 O ARG A 52 -14.199 3.607 -4.405 1.00 0.00 O ATOM 744 CB ARG A 52 -13.621 6.468 -3.450 1.00 0.00 C ATOM 745 CG ARG A 52 -13.151 6.449 -2.005 1.00 0.00 C ATOM 746 CD ARG A 52 -14.073 7.261 -1.109 1.00 0.00 C ATOM 747 NE ARG A 52 -13.957 8.695 -1.359 1.00 0.00 N ATOM 748 CZ ARG A 52 -14.823 9.593 -0.905 1.00 0.00 C ATOM 749 NH1 ARG A 52 -15.864 9.207 -0.180 1.00 0.00 N ATOM 750 NH2 ARG A 52 -14.649 10.881 -1.175 1.00 0.00 N ATOM 0 H ARG A 52 -14.064 6.028 -5.981 1.00 0.00 H new ATOM 0 HA ARG A 52 -11.743 5.729 -4.189 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -13.574 7.490 -3.825 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -14.667 6.163 -3.487 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -13.109 5.420 -1.648 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -12.139 6.849 -1.945 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -15.104 6.947 -1.271 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -13.837 7.055 -0.065 1.00 0.00 H new ATOM 0 HE ARG A 52 -13.167 9.025 -1.913 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -16.001 8.218 0.030 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -16.528 9.899 0.168 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -13.849 11.182 -1.732 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -15.315 11.570 -0.826 1.00 0.00 H new ATOM 764 N GLY A 53 -12.172 3.407 -3.450 1.00 0.00 N ATOM 765 CA GLY A 53 -12.369 2.008 -3.120 1.00 0.00 C ATOM 766 C GLY A 53 -11.757 1.636 -1.784 1.00 0.00 C ATOM 767 O GLY A 53 -11.232 2.493 -1.073 1.00 0.00 O ATOM 0 H GLY A 53 -11.271 3.791 -3.167 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -13.437 1.789 -3.101 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -11.931 1.388 -3.902 1.00 0.00 H new ATOM 771 N PHE A 54 -11.826 0.354 -1.440 1.00 0.00 N ATOM 772 CA PHE A 54 -11.276 -0.129 -0.178 1.00 0.00 C ATOM 773 C PHE A 54 -10.415 -1.369 -0.400 1.00 0.00 C ATOM 774 O PHE A 54 -10.852 -2.340 -1.017 1.00 0.00 O ATOM 775 CB PHE A 54 -12.405 -0.448 0.805 1.00 0.00 C ATOM 776 CG PHE A 54 -13.353 0.697 1.020 1.00 0.00 C ATOM 777 CD1 PHE A 54 -12.906 1.892 1.560 1.00 0.00 C ATOM 778 CD2 PHE A 54 -14.691 0.578 0.681 1.00 0.00 C ATOM 779 CE1 PHE A 54 -13.777 2.946 1.760 1.00 0.00 C ATOM 780 CE2 PHE A 54 -15.567 1.629 0.878 1.00 0.00 C ATOM 781 CZ PHE A 54 -15.109 2.815 1.418 1.00 0.00 C ATOM 0 H PHE A 54 -12.257 -0.369 -2.017 1.00 0.00 H new ATOM 0 HA PHE A 54 -10.649 0.657 0.242 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -12.964 -1.308 0.437 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -11.972 -0.735 1.763 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -11.865 2.001 1.828 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -15.054 -0.347 0.258 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -13.417 3.872 2.184 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -16.608 1.523 0.610 1.00 0.00 H new ATOM 0 HZ PHE A 54 -15.791 3.638 1.573 1.00 0.00 H new ATOM 791 N VAL A 55 -9.187 -1.327 0.107 1.00 0.00 N ATOM 792 CA VAL A 55 -8.263 -2.446 -0.034 1.00 0.00 C ATOM 793 C VAL A 55 -7.378 -2.587 1.199 1.00 0.00 C ATOM 794 O VAL A 55 -7.080 -1.615 1.895 1.00 0.00 O ATOM 795 CB VAL A 55 -7.369 -2.282 -1.278 1.00 0.00 C ATOM 796 CG1 VAL A 55 -8.219 -2.085 -2.524 1.00 0.00 C ATOM 797 CG2 VAL A 55 -6.404 -1.121 -1.091 1.00 0.00 C ATOM 0 H VAL A 55 -8.809 -0.530 0.619 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.869 -3.345 -0.147 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.784 -3.193 -1.407 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.570 -1.971 -3.393 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.865 -2.952 -2.665 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.832 -1.191 -2.409 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.780 -1.020 -1.979 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.967 -0.201 -0.936 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.772 -1.309 -0.223 1.00 0.00 H new ATOM 807 N PRO A 56 -6.945 -3.825 1.479 1.00 0.00 N ATOM 808 CA PRO A 56 -6.086 -4.123 2.629 1.00 0.00 C ATOM 809 C PRO A 56 -4.678 -3.563 2.461 1.00 0.00 C ATOM 810 O PRO A 56 -4.072 -3.689 1.398 1.00 0.00 O ATOM 811 CB PRO A 56 -6.053 -5.653 2.660 1.00 0.00 C ATOM 812 CG PRO A 56 -6.327 -6.067 1.256 1.00 0.00 C ATOM 813 CD PRO A 56 -7.260 -5.030 0.693 1.00 0.00 C ATOM 0 HA PRO A 56 -6.463 -3.673 3.547 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -5.085 -6.021 2.999 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.803 -6.051 3.344 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -5.405 -6.118 0.677 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -6.779 -7.058 1.223 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -7.089 -4.871 -0.372 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -8.303 -5.323 0.808 1.00 0.00 H new ATOM 821 N GLY A 57 -4.162 -2.945 3.519 1.00 0.00 N ATOM 822 CA GLY A 57 -2.828 -2.375 3.468 1.00 0.00 C ATOM 823 C GLY A 57 -1.770 -3.405 3.124 1.00 0.00 C ATOM 824 O GLY A 57 -0.830 -3.116 2.384 1.00 0.00 O ATOM 0 H GLY A 57 -4.644 -2.829 4.411 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.806 -1.575 2.728 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.592 -1.924 4.432 1.00 0.00 H new ATOM 828 N SER A 58 -1.923 -4.611 3.663 1.00 0.00 N ATOM 829 CA SER A 58 -0.971 -5.686 3.413 1.00 0.00 C ATOM 830 C SER A 58 -0.512 -5.678 1.958 1.00 0.00 C ATOM 831 O SER A 58 0.657 -5.931 1.663 1.00 0.00 O ATOM 832 CB SER A 58 -1.596 -7.040 3.755 1.00 0.00 C ATOM 833 OG SER A 58 -0.604 -8.045 3.874 1.00 0.00 O ATOM 0 H SER A 58 -2.697 -4.867 4.275 1.00 0.00 H new ATOM 0 HA SER A 58 -0.102 -5.524 4.051 1.00 0.00 H new ATOM 0 HB2 SER A 58 -2.152 -6.962 4.689 1.00 0.00 H new ATOM 0 HB3 SER A 58 -2.311 -7.320 2.981 1.00 0.00 H new ATOM 0 HG SER A 58 -1.029 -8.900 4.094 1.00 0.00 H new ATOM 839 N TYR A 59 -1.440 -5.387 1.053 1.00 0.00 N ATOM 840 CA TYR A 59 -1.132 -5.349 -0.372 1.00 0.00 C ATOM 841 C TYR A 59 -0.755 -3.937 -0.809 1.00 0.00 C ATOM 842 O TYR A 59 -1.097 -3.503 -1.911 1.00 0.00 O ATOM 843 CB TYR A 59 -2.328 -5.845 -1.186 1.00 0.00 C ATOM 844 CG TYR A 59 -2.677 -7.293 -0.929 1.00 0.00 C ATOM 845 CD1 TYR A 59 -3.296 -7.680 0.254 1.00 0.00 C ATOM 846 CD2 TYR A 59 -2.389 -8.275 -1.868 1.00 0.00 C ATOM 847 CE1 TYR A 59 -3.616 -9.002 0.494 1.00 0.00 C ATOM 848 CE2 TYR A 59 -2.706 -9.600 -1.638 1.00 0.00 C ATOM 849 CZ TYR A 59 -3.319 -9.959 -0.455 1.00 0.00 C ATOM 850 OH TYR A 59 -3.637 -11.277 -0.221 1.00 0.00 O ATOM 0 H TYR A 59 -2.411 -5.174 1.281 1.00 0.00 H new ATOM 0 HA TYR A 59 -0.281 -6.005 -0.553 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -3.195 -5.225 -0.957 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.114 -5.714 -2.247 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.531 -6.934 0.999 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -1.909 -7.998 -2.795 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -4.096 -9.285 1.419 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -2.475 -10.350 -2.380 1.00 0.00 H new ATOM 0 HH TYR A 59 -3.362 -11.821 -0.988 1.00 0.00 H new ATOM 860 N LEU A 60 -0.048 -3.224 0.060 1.00 0.00 N ATOM 861 CA LEU A 60 0.378 -1.860 -0.235 1.00 0.00 C ATOM 862 C LEU A 60 1.796 -1.612 0.267 1.00 0.00 C ATOM 863 O LEU A 60 2.255 -2.263 1.205 1.00 0.00 O ATOM 864 CB LEU A 60 -0.584 -0.856 0.402 1.00 0.00 C ATOM 865 CG LEU A 60 -1.980 -0.778 -0.215 1.00 0.00 C ATOM 866 CD1 LEU A 60 -2.869 0.157 0.589 1.00 0.00 C ATOM 867 CD2 LEU A 60 -1.898 -0.323 -1.665 1.00 0.00 C ATOM 0 H LEU A 60 0.243 -3.568 0.975 1.00 0.00 H new ATOM 0 HA LEU A 60 0.368 -1.728 -1.317 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.689 -1.104 1.458 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.130 0.134 0.351 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.422 -1.774 -0.192 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.859 0.199 0.134 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.955 -0.212 1.611 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.432 1.155 0.599 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.901 -0.273 -2.088 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.435 0.663 -1.711 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.298 -1.032 -2.236 1.00 0.00 H new ATOM 879 N GLU A 61 2.485 -0.666 -0.364 1.00 0.00 N ATOM 880 CA GLU A 61 3.851 -0.331 0.020 1.00 0.00 C ATOM 881 C GLU A 61 4.054 1.181 0.049 1.00 0.00 C ATOM 882 O GLU A 61 3.842 1.867 -0.951 1.00 0.00 O ATOM 883 CB GLU A 61 4.848 -0.972 -0.948 1.00 0.00 C ATOM 884 CG GLU A 61 6.299 -0.656 -0.625 1.00 0.00 C ATOM 885 CD GLU A 61 7.272 -1.478 -1.448 1.00 0.00 C ATOM 886 OE1 GLU A 61 6.976 -1.739 -2.632 1.00 0.00 O ATOM 887 OE2 GLU A 61 8.330 -1.860 -0.906 1.00 0.00 O ATOM 0 H GLU A 61 2.119 -0.118 -1.143 1.00 0.00 H new ATOM 0 HA GLU A 61 4.025 -0.722 1.022 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.709 -2.053 -0.936 1.00 0.00 H new ATOM 0 HB3 GLU A 61 4.628 -0.633 -1.960 1.00 0.00 H new ATOM 0 HG2 GLU A 61 6.484 0.404 -0.802 1.00 0.00 H new ATOM 0 HG3 GLU A 61 6.480 -0.839 0.434 1.00 0.00 H new ATOM 894 N LYS A 62 4.464 1.694 1.204 1.00 0.00 N ATOM 895 CA LYS A 62 4.697 3.125 1.366 1.00 0.00 C ATOM 896 C LYS A 62 5.940 3.564 0.599 1.00 0.00 C ATOM 897 O LYS A 62 7.021 3.001 0.774 1.00 0.00 O ATOM 898 CB LYS A 62 4.849 3.473 2.848 1.00 0.00 C ATOM 899 CG LYS A 62 4.618 4.943 3.155 1.00 0.00 C ATOM 900 CD LYS A 62 4.821 5.243 4.630 1.00 0.00 C ATOM 901 CE LYS A 62 4.397 6.663 4.973 1.00 0.00 C ATOM 902 NZ LYS A 62 5.064 7.158 6.209 1.00 0.00 N ATOM 0 H LYS A 62 4.642 1.140 2.042 1.00 0.00 H new ATOM 0 HA LYS A 62 3.836 3.656 0.961 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.145 2.875 3.427 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.850 3.195 3.177 1.00 0.00 H new ATOM 0 HG2 LYS A 62 5.301 5.551 2.562 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.606 5.222 2.862 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.247 4.536 5.229 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.870 5.102 4.890 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.637 7.325 4.141 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.316 6.697 5.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.749 8.129 6.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.815 6.542 7.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.095 7.150 6.074 1.00 0.00 H new ATOM 916 N LEU A 63 5.780 4.574 -0.249 1.00 0.00 N ATOM 917 CA LEU A 63 6.891 5.091 -1.042 1.00 0.00 C ATOM 918 C LEU A 63 7.580 6.247 -0.324 1.00 0.00 C ATOM 919 O LEU A 63 7.062 7.364 -0.286 1.00 0.00 O ATOM 920 CB LEU A 63 6.394 5.550 -2.413 1.00 0.00 C ATOM 921 CG LEU A 63 6.247 4.459 -3.474 1.00 0.00 C ATOM 922 CD1 LEU A 63 5.386 4.948 -4.628 1.00 0.00 C ATOM 923 CD2 LEU A 63 7.614 4.017 -3.977 1.00 0.00 C ATOM 0 H LEU A 63 4.892 5.051 -0.405 1.00 0.00 H new ATOM 0 HA LEU A 63 7.615 4.288 -1.176 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.426 6.035 -2.283 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.081 6.307 -2.792 1.00 0.00 H new ATOM 0 HG LEU A 63 5.754 3.601 -3.018 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.293 4.158 -5.373 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.397 5.215 -4.256 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.850 5.823 -5.083 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.490 3.240 -4.732 1.00 0.00 H new ATOM 0 HD22 LEU A 63 8.133 4.869 -4.415 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.199 3.625 -3.145 1.00 0.00 H new