USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 472 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 148 MET CE :methyl -137:sc= -2.03 (180deg=-2.73!) USER MOD Set 1.2: A 152 TYR OH : rot 150:sc= -0.502 USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 GLN : amide:sc= -3.12! K(o=-3.1!,f=-0.56) USER MOD Single : A 140 LYS NZ :NH3+ -168:sc= -0.0577 (180deg=-0.255) USER MOD Single : A 142 LYS NZ :NH3+ -108:sc= -1.63 (180deg=-4.66!) USER MOD Single : A 143 GLN : amide:sc= -0.0805 X(o=-0.08,f=-0.08) USER MOD Single : A 147 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 150 GLN : amide:sc= -2.96! K(o=-3!,f=-1.4) USER MOD Single : A 151 THR OG1 : rot 79:sc= 1.25 USER MOD Single : A 161 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 165 THR OG1 : rot 72:sc= 1.23 USER MOD Single : A 167 GLN : amide:sc= -2.53 K(o=-2.5,f=-0.56) USER MOD Single : A 168 GLN : amide:sc= -3.8! C(o=-3.8!,f=-2.2!) USER MOD Single : A 169 MET CE :methyl 153:sc= -0.244 (180deg=-1.07) USER MOD Single : A 171 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 173 SER OG : rot 81:sc= 1.24 USER MOD Single : A 174 LYS NZ :NH3+ 166:sc= -0.0637 (180deg=-0.275) USER MOD Single : A 175 THR OG1 : rot 77:sc= 1.16 USER MOD Single : A 176 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 182 MET CE :methyl -142:sc= -0.143 (180deg=-0.789) USER MOD Single : A 183 GLN : amide:sc= -0.723 K(o=-0.72,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 111 N ARG A 127 15.214 6.280 0.305 1.00 0.00 N ATOM 112 CA ARG A 127 14.531 5.012 0.083 1.00 0.00 C ATOM 113 C ARG A 127 13.422 4.803 1.110 1.00 0.00 C ATOM 114 O ARG A 127 12.336 4.328 0.780 1.00 0.00 O ATOM 115 CB ARG A 127 15.532 3.855 0.145 1.00 0.00 C ATOM 116 CG ARG A 127 14.907 2.490 -0.095 1.00 0.00 C ATOM 117 CD ARG A 127 15.960 1.392 -0.109 1.00 0.00 C ATOM 118 NE ARG A 127 16.698 1.319 1.150 1.00 0.00 N ATOM 119 CZ ARG A 127 16.148 0.993 2.317 1.00 0.00 C ATOM 120 NH1 ARG A 127 14.857 0.693 2.388 1.00 0.00 N ATOM 121 NH2 ARG A 127 16.891 0.962 3.415 1.00 0.00 N ATOM 0 HA ARG A 127 14.078 5.038 -0.908 1.00 0.00 H new ATOM 0 HB2 ARG A 127 16.313 4.022 -0.597 1.00 0.00 H new ATOM 0 HB3 ARG A 127 16.015 3.857 1.122 1.00 0.00 H new ATOM 0 HG2 ARG A 127 14.173 2.282 0.684 1.00 0.00 H new ATOM 0 HG3 ARG A 127 14.372 2.495 -1.045 1.00 0.00 H new ATOM 0 HD2 ARG A 127 15.480 0.433 -0.303 1.00 0.00 H new ATOM 0 HD3 ARG A 127 16.658 1.570 -0.927 1.00 0.00 H new ATOM 0 HE ARG A 127 17.696 1.531 1.133 1.00 0.00 H new ATOM 0 HH11 ARG A 127 14.282 0.712 1.546 1.00 0.00 H new ATOM 0 HH12 ARG A 127 14.440 0.444 3.285 1.00 0.00 H new ATOM 0 HH21 ARG A 127 17.884 1.188 3.365 1.00 0.00 H new ATOM 0 HH22 ARG A 127 16.469 0.712 4.309 1.00 0.00 H new ATOM 135 N VAL A 128 13.709 5.160 2.359 1.00 0.00 N ATOM 136 CA VAL A 128 12.741 5.011 3.439 1.00 0.00 C ATOM 137 C VAL A 128 11.485 5.839 3.185 1.00 0.00 C ATOM 138 O VAL A 128 10.369 5.354 3.366 1.00 0.00 O ATOM 139 CB VAL A 128 13.346 5.426 4.795 1.00 0.00 C ATOM 140 CG1 VAL A 128 12.315 5.288 5.907 1.00 0.00 C ATOM 141 CG2 VAL A 128 14.584 4.599 5.102 1.00 0.00 C ATOM 0 H VAL A 128 14.604 5.554 2.647 1.00 0.00 H new ATOM 0 HA VAL A 128 12.472 3.955 3.471 1.00 0.00 H new ATOM 0 HB VAL A 128 13.642 6.473 4.734 1.00 0.00 H new ATOM 0 HG11 VAL A 128 12.761 5.586 6.856 1.00 0.00 H new ATOM 0 HG12 VAL A 128 11.460 5.928 5.692 1.00 0.00 H new ATOM 0 HG13 VAL A 128 11.985 4.251 5.971 1.00 0.00 H new ATOM 0 HG21 VAL A 128 14.997 4.906 6.063 1.00 0.00 H new ATOM 0 HG22 VAL A 128 14.315 3.543 5.143 1.00 0.00 H new ATOM 0 HG23 VAL A 128 15.328 4.754 4.321 1.00 0.00 H new ATOM 151 N ALA A 129 11.672 7.089 2.777 1.00 0.00 N ATOM 152 CA ALA A 129 10.547 7.981 2.511 1.00 0.00 C ATOM 153 C ALA A 129 9.668 7.450 1.383 1.00 0.00 C ATOM 154 O ALA A 129 8.441 7.479 1.478 1.00 0.00 O ATOM 155 CB ALA A 129 11.047 9.378 2.179 1.00 0.00 C ATOM 0 H ALA A 129 12.589 7.508 2.623 1.00 0.00 H new ATOM 0 HA ALA A 129 9.938 8.028 3.414 1.00 0.00 H new ATOM 0 HB1 ALA A 129 10.197 10.032 1.983 1.00 0.00 H new ATOM 0 HB2 ALA A 129 11.619 9.769 3.020 1.00 0.00 H new ATOM 0 HB3 ALA A 129 11.684 9.336 1.295 1.00 0.00 H new ATOM 161 N GLY A 130 10.299 6.975 0.313 1.00 0.00 N ATOM 162 CA GLY A 130 9.554 6.455 -0.820 1.00 0.00 C ATOM 163 C GLY A 130 8.678 5.267 -0.460 1.00 0.00 C ATOM 164 O GLY A 130 7.490 5.243 -0.778 1.00 0.00 O ATOM 0 H GLY A 130 11.313 6.941 0.210 1.00 0.00 H new ATOM 0 HA2 GLY A 130 8.930 7.248 -1.232 1.00 0.00 H new ATOM 0 HA3 GLY A 130 10.253 6.160 -1.603 1.00 0.00 H new ATOM 168 N LEU A 131 9.265 4.276 0.200 1.00 0.00 N ATOM 169 CA LEU A 131 8.529 3.079 0.593 1.00 0.00 C ATOM 170 C LEU A 131 7.474 3.395 1.651 1.00 0.00 C ATOM 171 O LEU A 131 6.367 2.856 1.619 1.00 0.00 O ATOM 172 CB LEU A 131 9.495 2.014 1.118 1.00 0.00 C ATOM 173 CG LEU A 131 10.555 1.544 0.116 1.00 0.00 C ATOM 174 CD1 LEU A 131 11.495 0.540 0.766 1.00 0.00 C ATOM 175 CD2 LEU A 131 9.897 0.937 -1.115 1.00 0.00 C ATOM 0 H LEU A 131 10.247 4.277 0.474 1.00 0.00 H new ATOM 0 HA LEU A 131 8.017 2.697 -0.290 1.00 0.00 H new ATOM 0 HB2 LEU A 131 10.001 2.408 2.000 1.00 0.00 H new ATOM 0 HB3 LEU A 131 8.916 1.149 1.442 1.00 0.00 H new ATOM 0 HG LEU A 131 11.138 2.410 -0.198 1.00 0.00 H new ATOM 0 HD11 LEU A 131 12.241 0.217 0.040 1.00 0.00 H new ATOM 0 HD12 LEU A 131 11.994 1.006 1.616 1.00 0.00 H new ATOM 0 HD13 LEU A 131 10.925 -0.323 1.109 1.00 0.00 H new ATOM 0 HD21 LEU A 131 10.666 0.609 -1.814 1.00 0.00 H new ATOM 0 HD22 LEU A 131 9.289 0.083 -0.818 1.00 0.00 H new ATOM 0 HD23 LEU A 131 9.264 1.684 -1.595 1.00 0.00 H new ATOM 187 N GLU A 132 7.832 4.258 2.596 1.00 0.00 N ATOM 188 CA GLU A 132 6.928 4.638 3.677 1.00 0.00 C ATOM 189 C GLU A 132 5.681 5.343 3.145 1.00 0.00 C ATOM 190 O GLU A 132 4.563 5.024 3.549 1.00 0.00 O ATOM 191 CB GLU A 132 7.659 5.539 4.679 1.00 0.00 C ATOM 192 CG GLU A 132 6.894 5.787 5.973 1.00 0.00 C ATOM 193 CD GLU A 132 5.663 6.651 5.782 1.00 0.00 C ATOM 194 OE1 GLU A 132 5.812 7.805 5.328 1.00 0.00 O ATOM 195 OE2 GLU A 132 4.550 6.173 6.087 1.00 0.00 O ATOM 0 H GLU A 132 8.746 4.709 2.635 1.00 0.00 H new ATOM 0 HA GLU A 132 6.604 3.727 4.180 1.00 0.00 H new ATOM 0 HB2 GLU A 132 8.622 5.088 4.920 1.00 0.00 H new ATOM 0 HB3 GLU A 132 7.866 6.498 4.204 1.00 0.00 H new ATOM 0 HG2 GLU A 132 6.595 4.830 6.400 1.00 0.00 H new ATOM 0 HG3 GLU A 132 7.557 6.265 6.694 1.00 0.00 H new ATOM 202 N LYS A 133 5.874 6.309 2.250 1.00 0.00 N ATOM 203 CA LYS A 133 4.752 7.057 1.687 1.00 0.00 C ATOM 204 C LYS A 133 3.795 6.133 0.940 1.00 0.00 C ATOM 205 O LYS A 133 2.577 6.272 1.049 1.00 0.00 O ATOM 206 CB LYS A 133 5.247 8.168 0.756 1.00 0.00 C ATOM 207 CG LYS A 133 5.950 7.663 -0.491 1.00 0.00 C ATOM 208 CD LYS A 133 6.393 8.813 -1.381 1.00 0.00 C ATOM 209 CE LYS A 133 7.048 8.310 -2.656 1.00 0.00 C ATOM 210 NZ LYS A 133 7.510 9.431 -3.521 1.00 0.00 N ATOM 0 H LYS A 133 6.790 6.591 1.901 1.00 0.00 H new ATOM 0 HA LYS A 133 4.212 7.514 2.516 1.00 0.00 H new ATOM 0 HB2 LYS A 133 4.398 8.783 0.458 1.00 0.00 H new ATOM 0 HB3 LYS A 133 5.929 8.814 1.309 1.00 0.00 H new ATOM 0 HG2 LYS A 133 6.817 7.067 -0.206 1.00 0.00 H new ATOM 0 HG3 LYS A 133 5.281 7.007 -1.048 1.00 0.00 H new ATOM 0 HD2 LYS A 133 5.532 9.432 -1.633 1.00 0.00 H new ATOM 0 HD3 LYS A 133 7.093 9.447 -0.837 1.00 0.00 H new ATOM 0 HE2 LYS A 133 7.896 7.674 -2.402 1.00 0.00 H new ATOM 0 HE3 LYS A 133 6.340 7.692 -3.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 7.951 9.047 -4.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 6.697 10.024 -3.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 8.205 10.006 -3.003 1.00 0.00 H new ATOM 224 N GLN A 134 4.351 5.191 0.182 1.00 0.00 N ATOM 225 CA GLN A 134 3.536 4.247 -0.580 1.00 0.00 C ATOM 226 C GLN A 134 2.594 3.476 0.339 1.00 0.00 C ATOM 227 O GLN A 134 1.413 3.307 0.032 1.00 0.00 O ATOM 228 CB GLN A 134 4.426 3.271 -1.350 1.00 0.00 C ATOM 229 CG GLN A 134 5.306 3.940 -2.393 1.00 0.00 C ATOM 230 CD GLN A 134 4.506 4.694 -3.437 1.00 0.00 C ATOM 231 OE1 GLN A 134 3.679 4.114 -4.140 1.00 0.00 O ATOM 232 NE2 GLN A 134 4.752 5.995 -3.545 1.00 0.00 N ATOM 0 H GLN A 134 5.357 5.061 0.079 1.00 0.00 H new ATOM 0 HA GLN A 134 2.938 4.817 -1.291 1.00 0.00 H new ATOM 0 HB2 GLN A 134 5.059 2.735 -0.643 1.00 0.00 H new ATOM 0 HB3 GLN A 134 3.797 2.529 -1.841 1.00 0.00 H new ATOM 0 HG2 GLN A 134 5.990 4.629 -1.897 1.00 0.00 H new ATOM 0 HG3 GLN A 134 5.917 3.184 -2.886 1.00 0.00 H new ATOM 0 HE21 GLN A 134 5.447 6.435 -2.941 1.00 0.00 H new ATOM 0 HE22 GLN A 134 4.246 6.554 -4.232 1.00 0.00 H new ATOM 241 N LEU A 135 3.123 3.011 1.467 1.00 0.00 N ATOM 242 CA LEU A 135 2.329 2.259 2.431 1.00 0.00 C ATOM 243 C LEU A 135 1.185 3.116 2.961 1.00 0.00 C ATOM 244 O LEU A 135 0.057 2.645 3.113 1.00 0.00 O ATOM 245 CB LEU A 135 3.222 1.772 3.584 1.00 0.00 C ATOM 246 CG LEU A 135 2.602 0.733 4.533 1.00 0.00 C ATOM 247 CD1 LEU A 135 1.528 1.357 5.411 1.00 0.00 C ATOM 248 CD2 LEU A 135 2.032 -0.438 3.746 1.00 0.00 C ATOM 0 H LEU A 135 4.098 3.142 1.735 1.00 0.00 H new ATOM 0 HA LEU A 135 1.901 1.389 1.933 1.00 0.00 H new ATOM 0 HB2 LEU A 135 4.130 1.347 3.157 1.00 0.00 H new ATOM 0 HB3 LEU A 135 3.522 2.638 4.174 1.00 0.00 H new ATOM 0 HG LEU A 135 3.394 0.363 5.184 1.00 0.00 H new ATOM 0 HD11 LEU A 135 1.110 0.596 6.070 1.00 0.00 H new ATOM 0 HD12 LEU A 135 1.966 2.155 6.010 1.00 0.00 H new ATOM 0 HD13 LEU A 135 0.737 1.767 4.783 1.00 0.00 H new ATOM 0 HD21 LEU A 135 1.598 -1.162 4.435 1.00 0.00 H new ATOM 0 HD22 LEU A 135 1.261 -0.078 3.065 1.00 0.00 H new ATOM 0 HD23 LEU A 135 2.828 -0.914 3.174 1.00 0.00 H new ATOM 260 N ALA A 136 1.488 4.376 3.238 1.00 0.00 N ATOM 261 CA ALA A 136 0.495 5.313 3.753 1.00 0.00 C ATOM 262 C ALA A 136 -0.673 5.469 2.783 1.00 0.00 C ATOM 263 O ALA A 136 -1.835 5.441 3.190 1.00 0.00 O ATOM 264 CB ALA A 136 1.139 6.664 4.025 1.00 0.00 C ATOM 0 H ALA A 136 2.418 4.776 3.115 1.00 0.00 H new ATOM 0 HA ALA A 136 0.104 4.911 4.688 1.00 0.00 H new ATOM 0 HB1 ALA A 136 0.388 7.354 4.409 1.00 0.00 H new ATOM 0 HB2 ALA A 136 1.934 6.546 4.761 1.00 0.00 H new ATOM 0 HB3 ALA A 136 1.557 7.061 3.100 1.00 0.00 H new ATOM 270 N ILE A 137 -0.356 5.632 1.502 1.00 0.00 N ATOM 271 CA ILE A 137 -1.382 5.790 0.477 1.00 0.00 C ATOM 272 C ILE A 137 -2.309 4.580 0.444 1.00 0.00 C ATOM 273 O ILE A 137 -3.524 4.720 0.310 1.00 0.00 O ATOM 274 CB ILE A 137 -0.757 5.989 -0.919 1.00 0.00 C ATOM 275 CG1 ILE A 137 0.127 7.240 -0.927 1.00 0.00 C ATOM 276 CG2 ILE A 137 -1.846 6.091 -1.979 1.00 0.00 C ATOM 277 CD1 ILE A 137 0.825 7.485 -2.248 1.00 0.00 C ATOM 0 H ILE A 137 0.601 5.658 1.150 1.00 0.00 H new ATOM 0 HA ILE A 137 -1.958 6.679 0.735 1.00 0.00 H new ATOM 0 HB ILE A 137 -0.135 5.125 -1.153 1.00 0.00 H new ATOM 0 HG12 ILE A 137 -0.485 8.108 -0.684 1.00 0.00 H new ATOM 0 HG13 ILE A 137 0.877 7.149 -0.141 1.00 0.00 H new ATOM 0 HG21 ILE A 137 -1.388 6.231 -2.958 1.00 0.00 H new ATOM 0 HG22 ILE A 137 -2.437 5.175 -1.982 1.00 0.00 H new ATOM 0 HG23 ILE A 137 -2.493 6.940 -1.756 1.00 0.00 H new ATOM 0 HD11 ILE A 137 1.432 8.387 -2.177 1.00 0.00 H new ATOM 0 HD12 ILE A 137 1.465 6.635 -2.485 1.00 0.00 H new ATOM 0 HD13 ILE A 137 0.081 7.609 -3.035 1.00 0.00 H new ATOM 289 N GLU A 138 -1.723 3.394 0.572 1.00 0.00 N ATOM 290 CA GLU A 138 -2.492 2.155 0.559 1.00 0.00 C ATOM 291 C GLU A 138 -3.543 2.153 1.661 1.00 0.00 C ATOM 292 O GLU A 138 -4.686 1.761 1.440 1.00 0.00 O ATOM 293 CB GLU A 138 -1.569 0.952 0.742 1.00 0.00 C ATOM 294 CG GLU A 138 -0.505 0.826 -0.332 1.00 0.00 C ATOM 295 CD GLU A 138 -1.086 0.774 -1.731 1.00 0.00 C ATOM 296 OE1 GLU A 138 -1.874 -0.152 -2.014 1.00 0.00 O ATOM 297 OE2 GLU A 138 -0.753 1.661 -2.544 1.00 0.00 O ATOM 0 H GLU A 138 -0.718 3.265 0.686 1.00 0.00 H new ATOM 0 HA GLU A 138 -2.992 2.086 -0.407 1.00 0.00 H new ATOM 0 HB2 GLU A 138 -1.083 1.024 1.715 1.00 0.00 H new ATOM 0 HB3 GLU A 138 -2.170 0.043 0.753 1.00 0.00 H new ATOM 0 HG2 GLU A 138 0.180 1.671 -0.259 1.00 0.00 H new ATOM 0 HG3 GLU A 138 0.081 -0.076 -0.153 1.00 0.00 H new ATOM 304 N LEU A 139 -3.142 2.583 2.852 1.00 0.00 N ATOM 305 CA LEU A 139 -4.044 2.622 3.995 1.00 0.00 C ATOM 306 C LEU A 139 -5.226 3.549 3.734 1.00 0.00 C ATOM 307 O LEU A 139 -6.354 3.249 4.116 1.00 0.00 O ATOM 308 CB LEU A 139 -3.289 3.074 5.247 1.00 0.00 C ATOM 309 CG LEU A 139 -2.048 2.246 5.590 1.00 0.00 C ATOM 310 CD1 LEU A 139 -1.399 2.762 6.866 1.00 0.00 C ATOM 311 CD2 LEU A 139 -2.405 0.774 5.728 1.00 0.00 C ATOM 0 H LEU A 139 -2.196 2.910 3.050 1.00 0.00 H new ATOM 0 HA LEU A 139 -4.431 1.616 4.153 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -2.989 4.114 5.116 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -3.973 3.044 6.095 1.00 0.00 H new ATOM 0 HG LEU A 139 -1.332 2.348 4.774 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -0.518 2.162 7.095 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -1.104 3.802 6.729 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -2.110 2.692 7.690 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -1.509 0.204 5.972 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -3.141 0.651 6.523 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -2.822 0.411 4.788 1.00 0.00 H new ATOM 323 N LYS A 140 -4.961 4.679 3.088 1.00 0.00 N ATOM 324 CA LYS A 140 -6.006 5.652 2.787 1.00 0.00 C ATOM 325 C LYS A 140 -7.075 5.059 1.869 1.00 0.00 C ATOM 326 O LYS A 140 -8.271 5.204 2.124 1.00 0.00 O ATOM 327 CB LYS A 140 -5.398 6.899 2.141 1.00 0.00 C ATOM 328 CG LYS A 140 -6.412 7.998 1.865 1.00 0.00 C ATOM 329 CD LYS A 140 -5.764 9.202 1.202 1.00 0.00 C ATOM 330 CE LYS A 140 -6.772 10.311 0.952 1.00 0.00 C ATOM 331 NZ LYS A 140 -7.889 9.858 0.077 1.00 0.00 N ATOM 0 H LYS A 140 -4.032 4.944 2.762 1.00 0.00 H new ATOM 0 HA LYS A 140 -6.483 5.928 3.727 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -4.618 7.292 2.793 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -4.918 6.615 1.204 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -7.204 7.611 1.224 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -6.881 8.305 2.800 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -4.959 9.577 1.834 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -5.313 8.899 0.257 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -7.174 10.658 1.904 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -6.270 11.161 0.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -8.441 10.682 -0.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -7.502 9.365 -0.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -8.505 9.210 0.608 1.00 0.00 H new ATOM 345 N VAL A 141 -6.640 4.405 0.795 1.00 0.00 N ATOM 346 CA VAL A 141 -7.566 3.807 -0.162 1.00 0.00 C ATOM 347 C VAL A 141 -8.242 2.560 0.405 1.00 0.00 C ATOM 348 O VAL A 141 -9.461 2.412 0.317 1.00 0.00 O ATOM 349 CB VAL A 141 -6.851 3.435 -1.476 1.00 0.00 C ATOM 350 CG1 VAL A 141 -7.853 2.949 -2.512 1.00 0.00 C ATOM 351 CG2 VAL A 141 -6.056 4.617 -2.005 1.00 0.00 C ATOM 0 H VAL A 141 -5.654 4.276 0.566 1.00 0.00 H new ATOM 0 HA VAL A 141 -8.328 4.560 -0.365 1.00 0.00 H new ATOM 0 HB VAL A 141 -6.155 2.622 -1.271 1.00 0.00 H new ATOM 0 HG11 VAL A 141 -7.329 2.691 -3.432 1.00 0.00 H new ATOM 0 HG12 VAL A 141 -8.372 2.069 -2.132 1.00 0.00 H new ATOM 0 HG13 VAL A 141 -8.577 3.738 -2.716 1.00 0.00 H new ATOM 0 HG21 VAL A 141 -5.558 4.335 -2.933 1.00 0.00 H new ATOM 0 HG22 VAL A 141 -6.729 5.453 -2.194 1.00 0.00 H new ATOM 0 HG23 VAL A 141 -5.309 4.912 -1.268 1.00 0.00 H new ATOM 361 N LYS A 142 -7.444 1.665 0.979 1.00 0.00 N ATOM 362 CA LYS A 142 -7.967 0.427 1.551 1.00 0.00 C ATOM 363 C LYS A 142 -8.965 0.715 2.667 1.00 0.00 C ATOM 364 O LYS A 142 -10.103 0.246 2.628 1.00 0.00 O ATOM 365 CB LYS A 142 -6.820 -0.432 2.086 1.00 0.00 C ATOM 366 CG LYS A 142 -7.281 -1.740 2.711 1.00 0.00 C ATOM 367 CD LYS A 142 -6.107 -2.548 3.239 1.00 0.00 C ATOM 368 CE LYS A 142 -6.572 -3.843 3.885 1.00 0.00 C ATOM 369 NZ LYS A 142 -7.338 -4.694 2.934 1.00 0.00 N ATOM 0 H LYS A 142 -6.433 1.773 1.061 1.00 0.00 H new ATOM 0 HA LYS A 142 -8.486 -0.116 0.761 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -6.130 -0.651 1.271 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -6.264 0.140 2.829 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -7.976 -1.531 3.525 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -7.825 -2.327 1.971 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -5.421 -2.773 2.422 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -5.553 -1.955 3.967 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -5.708 -4.396 4.252 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -7.195 -3.614 4.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -8.345 -4.685 3.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -7.226 -4.323 1.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -6.979 -5.669 2.974 1.00 0.00 H new ATOM 383 N GLN A 143 -8.537 1.492 3.658 1.00 0.00 N ATOM 384 CA GLN A 143 -9.401 1.844 4.780 1.00 0.00 C ATOM 385 C GLN A 143 -10.613 2.626 4.290 1.00 0.00 C ATOM 386 O GLN A 143 -11.726 2.435 4.777 1.00 0.00 O ATOM 387 CB GLN A 143 -8.630 2.666 5.816 1.00 0.00 C ATOM 388 CG GLN A 143 -9.453 3.042 7.038 1.00 0.00 C ATOM 389 CD GLN A 143 -9.968 1.832 7.791 1.00 0.00 C ATOM 390 OE1 GLN A 143 -9.190 1.003 8.265 1.00 0.00 O ATOM 391 NE2 GLN A 143 -11.287 1.724 7.908 1.00 0.00 N ATOM 0 H GLN A 143 -7.599 1.889 3.707 1.00 0.00 H new ATOM 0 HA GLN A 143 -9.743 0.923 5.251 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -7.756 2.099 6.138 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -8.263 3.577 5.343 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -8.845 3.650 7.708 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -10.297 3.658 6.727 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -11.895 2.434 7.500 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -11.692 0.931 8.406 1.00 0.00 H new ATOM 400 N GLY A 144 -10.384 3.503 3.317 1.00 0.00 N ATOM 401 CA GLY A 144 -11.463 4.300 2.767 1.00 0.00 C ATOM 402 C GLY A 144 -12.547 3.447 2.139 1.00 0.00 C ATOM 403 O GLY A 144 -13.735 3.723 2.300 1.00 0.00 O ATOM 0 H GLY A 144 -9.469 3.675 2.900 1.00 0.00 H new ATOM 0 HA2 GLY A 144 -11.898 4.913 3.557 1.00 0.00 H new ATOM 0 HA3 GLY A 144 -11.062 4.983 2.018 1.00 0.00 H new ATOM 407 N ALA A 145 -12.135 2.402 1.427 1.00 0.00 N ATOM 408 CA ALA A 145 -13.078 1.503 0.776 1.00 0.00 C ATOM 409 C ALA A 145 -13.863 0.711 1.811 1.00 0.00 C ATOM 410 O ALA A 145 -15.074 0.532 1.686 1.00 0.00 O ATOM 411 CB ALA A 145 -12.347 0.564 -0.172 1.00 0.00 C ATOM 0 H ALA A 145 -11.154 2.158 1.287 1.00 0.00 H new ATOM 0 HA ALA A 145 -13.781 2.101 0.197 1.00 0.00 H new ATOM 0 HB1 ALA A 145 -13.065 -0.101 -0.651 1.00 0.00 H new ATOM 0 HB2 ALA A 145 -11.829 1.147 -0.934 1.00 0.00 H new ATOM 0 HB3 ALA A 145 -11.622 -0.027 0.388 1.00 0.00 H new ATOM 417 N GLU A 146 -13.161 0.247 2.838 1.00 0.00 N ATOM 418 CA GLU A 146 -13.785 -0.525 3.909 1.00 0.00 C ATOM 419 C GLU A 146 -14.826 0.312 4.643 1.00 0.00 C ATOM 420 O GLU A 146 -15.914 -0.171 4.961 1.00 0.00 O ATOM 421 CB GLU A 146 -12.725 -1.023 4.894 1.00 0.00 C ATOM 422 CG GLU A 146 -11.672 -1.913 4.253 1.00 0.00 C ATOM 423 CD GLU A 146 -10.629 -2.388 5.245 1.00 0.00 C ATOM 424 OE1 GLU A 146 -11.006 -3.064 6.225 1.00 0.00 O ATOM 425 OE2 GLU A 146 -9.434 -2.087 5.040 1.00 0.00 O ATOM 0 H GLU A 146 -12.158 0.391 2.953 1.00 0.00 H new ATOM 0 HA GLU A 146 -14.284 -1.384 3.461 1.00 0.00 H new ATOM 0 HB2 GLU A 146 -12.234 -0.164 5.352 1.00 0.00 H new ATOM 0 HB3 GLU A 146 -13.216 -1.574 5.696 1.00 0.00 H new ATOM 0 HG2 GLU A 146 -12.158 -2.777 3.801 1.00 0.00 H new ATOM 0 HG3 GLU A 146 -11.180 -1.366 3.448 1.00 0.00 H new ATOM 432 N ASN A 147 -14.485 1.569 4.905 1.00 0.00 N ATOM 433 CA ASN A 147 -15.387 2.480 5.598 1.00 0.00 C ATOM 434 C ASN A 147 -16.678 2.667 4.809 1.00 0.00 C ATOM 435 O ASN A 147 -17.765 2.720 5.382 1.00 0.00 O ATOM 436 CB ASN A 147 -14.708 3.832 5.819 1.00 0.00 C ATOM 437 CG ASN A 147 -15.603 4.821 6.540 1.00 0.00 C ATOM 438 OD1 ASN A 147 -16.039 4.576 7.665 1.00 0.00 O ATOM 439 ND2 ASN A 147 -15.883 5.946 5.893 1.00 0.00 N ATOM 0 H ASN A 147 -13.588 1.981 4.647 1.00 0.00 H new ATOM 0 HA ASN A 147 -15.634 2.044 6.566 1.00 0.00 H new ATOM 0 HB2 ASN A 147 -13.795 3.686 6.396 1.00 0.00 H new ATOM 0 HB3 ASN A 147 -14.414 4.249 4.856 1.00 0.00 H new ATOM 0 HD21 ASN A 147 -16.481 6.649 6.327 1.00 0.00 H new ATOM 0 HD22 ASN A 147 -15.500 6.108 4.962 1.00 0.00 H new ATOM 446 N MET A 148 -16.550 2.767 3.491 1.00 0.00 N ATOM 447 CA MET A 148 -17.709 2.946 2.625 1.00 0.00 C ATOM 448 C MET A 148 -18.584 1.697 2.617 1.00 0.00 C ATOM 449 O MET A 148 -19.805 1.785 2.720 1.00 0.00 O ATOM 450 CB MET A 148 -17.262 3.280 1.200 1.00 0.00 C ATOM 451 CG MET A 148 -16.411 4.538 1.108 1.00 0.00 C ATOM 452 SD MET A 148 -17.262 6.007 1.715 1.00 0.00 S ATOM 453 CE MET A 148 -18.632 6.107 0.566 1.00 0.00 C ATOM 0 H MET A 148 -15.657 2.727 3.000 1.00 0.00 H new ATOM 0 HA MET A 148 -18.297 3.775 3.017 1.00 0.00 H new ATOM 0 HB2 MET A 148 -16.697 2.439 0.799 1.00 0.00 H new ATOM 0 HB3 MET A 148 -18.144 3.401 0.570 1.00 0.00 H new ATOM 0 HG2 MET A 148 -15.494 4.393 1.680 1.00 0.00 H new ATOM 0 HG3 MET A 148 -16.118 4.697 0.070 1.00 0.00 H new ATOM 0 HE1 MET A 148 -18.773 7.143 0.258 1.00 0.00 H new ATOM 0 HE2 MET A 148 -18.418 5.494 -0.309 1.00 0.00 H new ATOM 0 HE3 MET A 148 -19.539 5.745 1.049 1.00 0.00 H new ATOM 463 N ILE A 149 -17.954 0.532 2.492 1.00 0.00 N ATOM 464 CA ILE A 149 -18.680 -0.734 2.465 1.00 0.00 C ATOM 465 C ILE A 149 -19.535 -0.920 3.716 1.00 0.00 C ATOM 466 O ILE A 149 -20.719 -1.242 3.625 1.00 0.00 O ATOM 467 CB ILE A 149 -17.715 -1.930 2.329 1.00 0.00 C ATOM 468 CG1 ILE A 149 -16.926 -1.828 1.021 1.00 0.00 C ATOM 469 CG2 ILE A 149 -18.482 -3.245 2.394 1.00 0.00 C ATOM 470 CD1 ILE A 149 -15.903 -2.929 0.836 1.00 0.00 C ATOM 0 H ILE A 149 -16.942 0.439 2.408 1.00 0.00 H new ATOM 0 HA ILE A 149 -19.334 -0.699 1.594 1.00 0.00 H new ATOM 0 HB ILE A 149 -17.010 -1.906 3.160 1.00 0.00 H new ATOM 0 HG12 ILE A 149 -17.624 -1.849 0.184 1.00 0.00 H new ATOM 0 HG13 ILE A 149 -16.418 -0.864 0.988 1.00 0.00 H new ATOM 0 HG21 ILE A 149 -17.785 -4.078 2.296 1.00 0.00 H new ATOM 0 HG22 ILE A 149 -19.001 -3.316 3.350 1.00 0.00 H new ATOM 0 HG23 ILE A 149 -19.209 -3.283 1.582 1.00 0.00 H new ATOM 0 HD11 ILE A 149 -15.385 -2.789 -0.113 1.00 0.00 H new ATOM 0 HD12 ILE A 149 -15.181 -2.896 1.652 1.00 0.00 H new ATOM 0 HD13 ILE A 149 -16.406 -3.896 0.835 1.00 0.00 H new ATOM 482 N GLN A 150 -18.931 -0.720 4.884 1.00 0.00 N ATOM 483 CA GLN A 150 -19.648 -0.873 6.147 1.00 0.00 C ATOM 484 C GLN A 150 -20.778 0.145 6.273 1.00 0.00 C ATOM 485 O GLN A 150 -21.871 -0.183 6.737 1.00 0.00 O ATOM 486 CB GLN A 150 -18.690 -0.749 7.326 1.00 0.00 C ATOM 487 CG GLN A 150 -17.869 0.520 7.319 1.00 0.00 C ATOM 488 CD GLN A 150 -16.794 0.496 8.377 1.00 0.00 C ATOM 489 OE1 GLN A 150 -17.074 0.608 9.571 1.00 0.00 O ATOM 490 NE2 GLN A 150 -15.558 0.317 7.944 1.00 0.00 N ATOM 0 H GLN A 150 -17.952 -0.453 4.983 1.00 0.00 H new ATOM 0 HA GLN A 150 -20.091 -1.869 6.157 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -19.262 -0.794 8.253 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -18.016 -1.606 7.325 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -17.411 0.652 6.338 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -18.522 1.377 7.484 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -15.375 0.230 6.944 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -14.787 0.266 8.610 1.00 0.00 H new ATOM 499 N THR A 151 -20.509 1.381 5.862 1.00 0.00 N ATOM 500 CA THR A 151 -21.506 2.447 5.932 1.00 0.00 C ATOM 501 C THR A 151 -22.743 2.107 5.104 1.00 0.00 C ATOM 502 O THR A 151 -23.873 2.301 5.551 1.00 0.00 O ATOM 503 CB THR A 151 -20.927 3.788 5.441 1.00 0.00 C ATOM 504 OG1 THR A 151 -19.810 4.169 6.254 1.00 0.00 O ATOM 505 CG2 THR A 151 -21.983 4.883 5.480 1.00 0.00 C ATOM 0 H THR A 151 -19.610 1.670 5.477 1.00 0.00 H new ATOM 0 HA THR A 151 -21.792 2.541 6.980 1.00 0.00 H new ATOM 0 HB THR A 151 -20.599 3.658 4.410 1.00 0.00 H new ATOM 0 HG1 THR A 151 -19.017 3.662 5.979 1.00 0.00 H new ATOM 0 HG21 THR A 151 -21.549 5.819 5.129 1.00 0.00 H new ATOM 0 HG22 THR A 151 -22.818 4.606 4.837 1.00 0.00 H new ATOM 0 HG23 THR A 151 -22.339 5.009 6.503 1.00 0.00 H new ATOM 513 N TYR A 152 -22.520 1.603 3.895 1.00 0.00 N ATOM 514 CA TYR A 152 -23.613 1.238 2.998 1.00 0.00 C ATOM 515 C TYR A 152 -24.523 0.198 3.644 1.00 0.00 C ATOM 516 O TYR A 152 -25.748 0.286 3.553 1.00 0.00 O ATOM 517 CB TYR A 152 -23.053 0.696 1.678 1.00 0.00 C ATOM 518 CG TYR A 152 -22.294 1.716 0.846 1.00 0.00 C ATOM 519 CD1 TYR A 152 -22.027 2.994 1.327 1.00 0.00 C ATOM 520 CD2 TYR A 152 -21.831 1.388 -0.423 1.00 0.00 C ATOM 521 CE1 TYR A 152 -21.328 3.912 0.568 1.00 0.00 C ATOM 522 CE2 TYR A 152 -21.132 2.301 -1.184 1.00 0.00 C ATOM 523 CZ TYR A 152 -20.882 3.560 -0.686 1.00 0.00 C ATOM 524 OH TYR A 152 -20.186 4.469 -1.448 1.00 0.00 O ATOM 0 H TYR A 152 -21.589 1.437 3.512 1.00 0.00 H new ATOM 0 HA TYR A 152 -24.202 2.133 2.797 1.00 0.00 H new ATOM 0 HB2 TYR A 152 -22.390 -0.141 1.896 1.00 0.00 H new ATOM 0 HB3 TYR A 152 -23.877 0.303 1.083 1.00 0.00 H new ATOM 0 HD1 TYR A 152 -22.373 3.273 2.311 1.00 0.00 H new ATOM 0 HD2 TYR A 152 -22.022 0.402 -0.819 1.00 0.00 H new ATOM 0 HE1 TYR A 152 -21.132 4.901 0.956 1.00 0.00 H new ATOM 0 HE2 TYR A 152 -20.781 2.029 -2.169 1.00 0.00 H new ATOM 0 HH TYR A 152 -19.559 3.994 -2.033 1.00 0.00 H new ATOM 649 N LYS A 161 -24.801 -0.053 -6.716 1.00 0.00 N ATOM 650 CA LYS A 161 -23.752 0.267 -7.679 1.00 0.00 C ATOM 651 C LYS A 161 -22.466 0.658 -6.960 1.00 0.00 C ATOM 652 O LYS A 161 -21.383 0.179 -7.294 1.00 0.00 O ATOM 653 CB LYS A 161 -24.202 1.402 -8.603 1.00 0.00 C ATOM 654 CG LYS A 161 -23.171 1.767 -9.660 1.00 0.00 C ATOM 655 CD LYS A 161 -23.668 2.877 -10.575 1.00 0.00 C ATOM 656 CE LYS A 161 -23.912 4.170 -9.812 1.00 0.00 C ATOM 657 NZ LYS A 161 -24.377 5.265 -10.708 1.00 0.00 N ATOM 0 HA LYS A 161 -23.559 -0.621 -8.281 1.00 0.00 H new ATOM 0 HB2 LYS A 161 -25.130 1.112 -9.096 1.00 0.00 H new ATOM 0 HB3 LYS A 161 -24.422 2.284 -8.002 1.00 0.00 H new ATOM 0 HG2 LYS A 161 -22.248 2.083 -9.174 1.00 0.00 H new ATOM 0 HG3 LYS A 161 -22.932 0.885 -10.255 1.00 0.00 H new ATOM 0 HD2 LYS A 161 -22.937 3.053 -11.364 1.00 0.00 H new ATOM 0 HD3 LYS A 161 -24.591 2.562 -11.061 1.00 0.00 H new ATOM 0 HE2 LYS A 161 -24.656 3.997 -9.034 1.00 0.00 H new ATOM 0 HE3 LYS A 161 -22.993 4.476 -9.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 161 -24.532 6.129 -10.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 161 -23.657 5.448 -11.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 161 -25.268 4.984 -11.166 1.00 0.00 H new ATOM 671 N LEU A 162 -22.600 1.524 -5.962 1.00 0.00 N ATOM 672 CA LEU A 162 -21.457 1.978 -5.177 1.00 0.00 C ATOM 673 C LEU A 162 -20.870 0.837 -4.350 1.00 0.00 C ATOM 674 O LEU A 162 -19.659 0.771 -4.141 1.00 0.00 O ATOM 675 CB LEU A 162 -21.868 3.133 -4.261 1.00 0.00 C ATOM 676 CG LEU A 162 -21.838 4.523 -4.901 1.00 0.00 C ATOM 677 CD1 LEU A 162 -20.413 4.897 -5.271 1.00 0.00 C ATOM 678 CD2 LEU A 162 -22.743 4.577 -6.124 1.00 0.00 C ATOM 0 H LEU A 162 -23.492 1.927 -5.676 1.00 0.00 H new ATOM 0 HA LEU A 162 -20.690 2.327 -5.869 1.00 0.00 H new ATOM 0 HB2 LEU A 162 -22.877 2.942 -3.895 1.00 0.00 H new ATOM 0 HB3 LEU A 162 -21.209 3.137 -3.393 1.00 0.00 H new ATOM 0 HG LEU A 162 -22.212 5.246 -4.176 1.00 0.00 H new ATOM 0 HD11 LEU A 162 -20.403 5.888 -5.726 1.00 0.00 H new ATOM 0 HD12 LEU A 162 -19.794 4.903 -4.374 1.00 0.00 H new ATOM 0 HD13 LEU A 162 -20.018 4.169 -5.979 1.00 0.00 H new ATOM 0 HD21 LEU A 162 -22.705 5.575 -6.561 1.00 0.00 H new ATOM 0 HD22 LEU A 162 -22.406 3.846 -6.859 1.00 0.00 H new ATOM 0 HD23 LEU A 162 -23.767 4.349 -5.829 1.00 0.00 H new ATOM 690 N LEU A 163 -21.737 -0.052 -3.877 1.00 0.00 N ATOM 691 CA LEU A 163 -21.311 -1.187 -3.066 1.00 0.00 C ATOM 692 C LEU A 163 -20.264 -2.028 -3.792 1.00 0.00 C ATOM 693 O LEU A 163 -19.181 -2.280 -3.262 1.00 0.00 O ATOM 694 CB LEU A 163 -22.520 -2.056 -2.710 1.00 0.00 C ATOM 695 CG LEU A 163 -22.218 -3.273 -1.832 1.00 0.00 C ATOM 696 CD1 LEU A 163 -21.678 -2.837 -0.480 1.00 0.00 C ATOM 697 CD2 LEU A 163 -23.466 -4.124 -1.658 1.00 0.00 C ATOM 0 H LEU A 163 -22.743 -0.008 -4.042 1.00 0.00 H new ATOM 0 HA LEU A 163 -20.859 -0.798 -2.154 1.00 0.00 H new ATOM 0 HB2 LEU A 163 -23.255 -1.434 -2.199 1.00 0.00 H new ATOM 0 HB3 LEU A 163 -22.982 -2.402 -3.635 1.00 0.00 H new ATOM 0 HG LEU A 163 -21.455 -3.874 -2.327 1.00 0.00 H new ATOM 0 HD11 LEU A 163 -21.470 -3.716 0.129 1.00 0.00 H new ATOM 0 HD12 LEU A 163 -20.759 -2.268 -0.622 1.00 0.00 H new ATOM 0 HD13 LEU A 163 -22.417 -2.214 0.023 1.00 0.00 H new ATOM 0 HD21 LEU A 163 -23.235 -4.985 -1.031 1.00 0.00 H new ATOM 0 HD22 LEU A 163 -24.248 -3.530 -1.185 1.00 0.00 H new ATOM 0 HD23 LEU A 163 -23.811 -4.467 -2.633 1.00 0.00 H new ATOM 709 N LEU A 164 -20.592 -2.461 -5.006 1.00 0.00 N ATOM 710 CA LEU A 164 -19.678 -3.277 -5.800 1.00 0.00 C ATOM 711 C LEU A 164 -18.422 -2.493 -6.153 1.00 0.00 C ATOM 712 O LEU A 164 -17.317 -3.038 -6.158 1.00 0.00 O ATOM 713 CB LEU A 164 -20.378 -3.783 -7.067 1.00 0.00 C ATOM 714 CG LEU A 164 -20.773 -2.716 -8.096 1.00 0.00 C ATOM 715 CD1 LEU A 164 -19.592 -2.350 -8.986 1.00 0.00 C ATOM 716 CD2 LEU A 164 -21.943 -3.200 -8.935 1.00 0.00 C ATOM 0 H LEU A 164 -21.483 -2.261 -5.461 1.00 0.00 H new ATOM 0 HA LEU A 164 -19.380 -4.139 -5.204 1.00 0.00 H new ATOM 0 HB2 LEU A 164 -19.722 -4.504 -7.556 1.00 0.00 H new ATOM 0 HB3 LEU A 164 -21.278 -4.321 -6.769 1.00 0.00 H new ATOM 0 HG LEU A 164 -21.077 -1.819 -7.556 1.00 0.00 H new ATOM 0 HD11 LEU A 164 -19.900 -1.592 -9.706 1.00 0.00 H new ATOM 0 HD12 LEU A 164 -18.781 -1.959 -8.372 1.00 0.00 H new ATOM 0 HD13 LEU A 164 -19.249 -3.237 -9.518 1.00 0.00 H new ATOM 0 HD21 LEU A 164 -22.212 -2.433 -9.661 1.00 0.00 H new ATOM 0 HD22 LEU A 164 -21.661 -4.113 -9.460 1.00 0.00 H new ATOM 0 HD23 LEU A 164 -22.796 -3.402 -8.287 1.00 0.00 H new ATOM 728 N THR A 165 -18.602 -1.212 -6.449 1.00 0.00 N ATOM 729 CA THR A 165 -17.488 -0.343 -6.808 1.00 0.00 C ATOM 730 C THR A 165 -16.417 -0.352 -5.722 1.00 0.00 C ATOM 731 O THR A 165 -15.227 -0.475 -6.012 1.00 0.00 O ATOM 732 CB THR A 165 -17.958 1.107 -7.043 1.00 0.00 C ATOM 733 OG1 THR A 165 -18.941 1.140 -8.083 1.00 0.00 O ATOM 734 CG2 THR A 165 -16.789 2.005 -7.419 1.00 0.00 C ATOM 0 H THR A 165 -19.512 -0.751 -6.448 1.00 0.00 H new ATOM 0 HA THR A 165 -17.066 -0.732 -7.735 1.00 0.00 H new ATOM 0 HB THR A 165 -18.395 1.476 -6.115 1.00 0.00 H new ATOM 0 HG1 THR A 165 -19.779 0.755 -7.753 1.00 0.00 H new ATOM 0 HG21 THR A 165 -17.148 3.022 -7.579 1.00 0.00 H new ATOM 0 HG22 THR A 165 -16.054 2.002 -6.614 1.00 0.00 H new ATOM 0 HG23 THR A 165 -16.326 1.635 -8.334 1.00 0.00 H new ATOM 742 N ALA A 166 -16.850 -0.227 -4.471 1.00 0.00 N ATOM 743 CA ALA A 166 -15.931 -0.229 -3.341 1.00 0.00 C ATOM 744 C ALA A 166 -15.227 -1.574 -3.218 1.00 0.00 C ATOM 745 O ALA A 166 -14.034 -1.636 -2.919 1.00 0.00 O ATOM 746 CB ALA A 166 -16.672 0.102 -2.055 1.00 0.00 C ATOM 0 H ALA A 166 -17.832 -0.123 -4.216 1.00 0.00 H new ATOM 0 HA ALA A 166 -15.175 0.537 -3.515 1.00 0.00 H new ATOM 0 HB1 ALA A 166 -15.972 0.097 -1.220 1.00 0.00 H new ATOM 0 HB2 ALA A 166 -17.127 1.089 -2.141 1.00 0.00 H new ATOM 0 HB3 ALA A 166 -17.450 -0.642 -1.881 1.00 0.00 H new ATOM 752 N GLN A 167 -15.975 -2.648 -3.453 1.00 0.00 N ATOM 753 CA GLN A 167 -15.427 -3.996 -3.373 1.00 0.00 C ATOM 754 C GLN A 167 -14.229 -4.143 -4.303 1.00 0.00 C ATOM 755 O GLN A 167 -13.185 -4.666 -3.912 1.00 0.00 O ATOM 756 CB GLN A 167 -16.498 -5.025 -3.734 1.00 0.00 C ATOM 757 CG GLN A 167 -17.692 -5.009 -2.794 1.00 0.00 C ATOM 758 CD GLN A 167 -18.739 -6.034 -3.170 1.00 0.00 C ATOM 759 OE1 GLN A 167 -18.468 -7.235 -3.199 1.00 0.00 O ATOM 760 NE2 GLN A 167 -19.944 -5.565 -3.462 1.00 0.00 N ATOM 0 H GLN A 167 -16.964 -2.610 -3.701 1.00 0.00 H new ATOM 0 HA GLN A 167 -15.097 -4.172 -2.349 1.00 0.00 H new ATOM 0 HB2 GLN A 167 -16.843 -4.838 -4.751 1.00 0.00 H new ATOM 0 HB3 GLN A 167 -16.053 -6.020 -3.727 1.00 0.00 H new ATOM 0 HG2 GLN A 167 -17.352 -5.199 -1.776 1.00 0.00 H new ATOM 0 HG3 GLN A 167 -18.142 -4.016 -2.800 1.00 0.00 H new ATOM 0 HE21 GLN A 167 -20.124 -4.562 -3.425 1.00 0.00 H new ATOM 0 HE22 GLN A 167 -20.692 -6.208 -3.724 1.00 0.00 H new ATOM 769 N GLN A 168 -14.386 -3.667 -5.535 1.00 0.00 N ATOM 770 CA GLN A 168 -13.319 -3.733 -6.523 1.00 0.00 C ATOM 771 C GLN A 168 -12.120 -2.919 -6.052 1.00 0.00 C ATOM 772 O GLN A 168 -10.972 -3.339 -6.200 1.00 0.00 O ATOM 773 CB GLN A 168 -13.824 -3.217 -7.876 1.00 0.00 C ATOM 774 CG GLN A 168 -12.854 -3.430 -9.032 1.00 0.00 C ATOM 775 CD GLN A 168 -11.605 -2.575 -8.928 1.00 0.00 C ATOM 776 OE1 GLN A 168 -11.682 -1.348 -8.868 1.00 0.00 O ATOM 777 NE2 GLN A 168 -10.444 -3.222 -8.911 1.00 0.00 N ATOM 0 H GLN A 168 -15.245 -3.231 -5.871 1.00 0.00 H new ATOM 0 HA GLN A 168 -13.007 -4.771 -6.643 1.00 0.00 H new ATOM 0 HB2 GLN A 168 -14.766 -3.713 -8.112 1.00 0.00 H new ATOM 0 HB3 GLN A 168 -14.038 -2.152 -7.788 1.00 0.00 H new ATOM 0 HG2 GLN A 168 -12.566 -4.481 -9.067 1.00 0.00 H new ATOM 0 HG3 GLN A 168 -13.362 -3.207 -9.970 1.00 0.00 H new ATOM 0 HE21 GLN A 168 -10.427 -4.241 -8.963 1.00 0.00 H new ATOM 0 HE22 GLN A 168 -9.570 -2.700 -8.846 1.00 0.00 H new ATOM 786 N MET A 169 -12.399 -1.752 -5.478 1.00 0.00 N ATOM 787 CA MET A 169 -11.350 -0.872 -4.976 1.00 0.00 C ATOM 788 C MET A 169 -10.484 -1.584 -3.944 1.00 0.00 C ATOM 789 O MET A 169 -9.257 -1.527 -4.003 1.00 0.00 O ATOM 790 CB MET A 169 -11.964 0.378 -4.347 1.00 0.00 C ATOM 791 CG MET A 169 -12.643 1.300 -5.345 1.00 0.00 C ATOM 792 SD MET A 169 -13.447 2.704 -4.547 1.00 0.00 S ATOM 793 CE MET A 169 -12.101 3.342 -3.553 1.00 0.00 C ATOM 0 H MET A 169 -13.345 -1.394 -5.349 1.00 0.00 H new ATOM 0 HA MET A 169 -10.723 -0.585 -5.820 1.00 0.00 H new ATOM 0 HB2 MET A 169 -12.692 0.074 -3.595 1.00 0.00 H new ATOM 0 HB3 MET A 169 -11.182 0.933 -3.828 1.00 0.00 H new ATOM 0 HG2 MET A 169 -11.905 1.665 -6.059 1.00 0.00 H new ATOM 0 HG3 MET A 169 -13.383 0.735 -5.912 1.00 0.00 H new ATOM 0 HE1 MET A 169 -12.244 4.410 -3.389 1.00 0.00 H new ATOM 0 HE2 MET A 169 -12.082 2.827 -2.593 1.00 0.00 H new ATOM 0 HE3 MET A 169 -11.156 3.178 -4.071 1.00 0.00 H new ATOM 803 N LEU A 170 -11.133 -2.241 -2.990 1.00 0.00 N ATOM 804 CA LEU A 170 -10.424 -2.952 -1.931 1.00 0.00 C ATOM 805 C LEU A 170 -9.544 -4.067 -2.493 1.00 0.00 C ATOM 806 O LEU A 170 -8.405 -4.238 -2.062 1.00 0.00 O ATOM 807 CB LEU A 170 -11.424 -3.516 -0.912 1.00 0.00 C ATOM 808 CG LEU A 170 -10.817 -4.250 0.296 1.00 0.00 C ATOM 809 CD1 LEU A 170 -10.385 -5.659 -0.077 1.00 0.00 C ATOM 810 CD2 LEU A 170 -9.637 -3.471 0.860 1.00 0.00 C ATOM 0 H LEU A 170 -12.150 -2.297 -2.927 1.00 0.00 H new ATOM 0 HA LEU A 170 -9.769 -2.240 -1.429 1.00 0.00 H new ATOM 0 HB2 LEU A 170 -12.037 -2.694 -0.542 1.00 0.00 H new ATOM 0 HB3 LEU A 170 -12.092 -4.203 -1.431 1.00 0.00 H new ATOM 0 HG LEU A 170 -11.589 -4.322 1.062 1.00 0.00 H new ATOM 0 HD11 LEU A 170 -9.960 -6.153 0.797 1.00 0.00 H new ATOM 0 HD12 LEU A 170 -11.249 -6.223 -0.428 1.00 0.00 H new ATOM 0 HD13 LEU A 170 -9.636 -5.613 -0.868 1.00 0.00 H new ATOM 0 HD21 LEU A 170 -9.222 -4.007 1.714 1.00 0.00 H new ATOM 0 HD22 LEU A 170 -8.871 -3.364 0.092 1.00 0.00 H new ATOM 0 HD23 LEU A 170 -9.972 -2.484 1.179 1.00 0.00 H new ATOM 822 N GLN A 171 -10.080 -4.835 -3.436 1.00 0.00 N ATOM 823 CA GLN A 171 -9.337 -5.944 -4.031 1.00 0.00 C ATOM 824 C GLN A 171 -8.045 -5.474 -4.693 1.00 0.00 C ATOM 825 O GLN A 171 -6.976 -6.043 -4.463 1.00 0.00 O ATOM 826 CB GLN A 171 -10.206 -6.678 -5.054 1.00 0.00 C ATOM 827 CG GLN A 171 -11.462 -7.292 -4.457 1.00 0.00 C ATOM 828 CD GLN A 171 -12.316 -7.995 -5.493 1.00 0.00 C ATOM 829 OE1 GLN A 171 -12.772 -7.380 -6.458 1.00 0.00 O ATOM 830 NE2 GLN A 171 -12.540 -9.289 -5.299 1.00 0.00 N ATOM 0 H GLN A 171 -11.023 -4.712 -3.805 1.00 0.00 H new ATOM 0 HA GLN A 171 -9.070 -6.626 -3.223 1.00 0.00 H new ATOM 0 HB2 GLN A 171 -10.492 -5.981 -5.842 1.00 0.00 H new ATOM 0 HB3 GLN A 171 -9.615 -7.465 -5.523 1.00 0.00 H new ATOM 0 HG2 GLN A 171 -11.181 -8.003 -3.680 1.00 0.00 H new ATOM 0 HG3 GLN A 171 -12.050 -6.511 -3.976 1.00 0.00 H new ATOM 0 HE21 GLN A 171 -12.143 -9.759 -4.486 1.00 0.00 H new ATOM 0 HE22 GLN A 171 -13.109 -9.813 -5.963 1.00 0.00 H new ATOM 839 N ASP A 172 -8.146 -4.444 -5.524 1.00 0.00 N ATOM 840 CA ASP A 172 -6.984 -3.911 -6.228 1.00 0.00 C ATOM 841 C ASP A 172 -5.995 -3.267 -5.259 1.00 0.00 C ATOM 842 O ASP A 172 -4.781 -3.421 -5.402 1.00 0.00 O ATOM 843 CB ASP A 172 -7.430 -2.888 -7.279 1.00 0.00 C ATOM 844 CG ASP A 172 -6.286 -2.406 -8.153 1.00 0.00 C ATOM 845 OD1 ASP A 172 -5.151 -2.897 -7.977 1.00 0.00 O ATOM 846 OD2 ASP A 172 -6.528 -1.540 -9.020 1.00 0.00 O ATOM 0 H ASP A 172 -9.021 -3.960 -5.728 1.00 0.00 H new ATOM 0 HA ASP A 172 -6.480 -4.741 -6.723 1.00 0.00 H new ATOM 0 HB2 ASP A 172 -8.200 -3.333 -7.909 1.00 0.00 H new ATOM 0 HB3 ASP A 172 -7.883 -2.033 -6.778 1.00 0.00 H new ATOM 851 N SER A 173 -6.519 -2.536 -4.282 1.00 0.00 N ATOM 852 CA SER A 173 -5.684 -1.854 -3.299 1.00 0.00 C ATOM 853 C SER A 173 -4.860 -2.834 -2.470 1.00 0.00 C ATOM 854 O SER A 173 -3.648 -2.668 -2.330 1.00 0.00 O ATOM 855 CB SER A 173 -6.553 -0.998 -2.377 1.00 0.00 C ATOM 856 OG SER A 173 -7.254 -0.011 -3.111 1.00 0.00 O ATOM 0 H SER A 173 -7.521 -2.400 -4.149 1.00 0.00 H new ATOM 0 HA SER A 173 -4.989 -1.217 -3.846 1.00 0.00 H new ATOM 0 HB2 SER A 173 -7.262 -1.634 -1.847 1.00 0.00 H new ATOM 0 HB3 SER A 173 -5.928 -0.520 -1.623 1.00 0.00 H new ATOM 0 HG SER A 173 -8.048 -0.412 -3.522 1.00 0.00 H new ATOM 862 N LYS A 174 -5.518 -3.844 -1.909 1.00 0.00 N ATOM 863 CA LYS A 174 -4.834 -4.833 -1.078 1.00 0.00 C ATOM 864 C LYS A 174 -3.748 -5.572 -1.859 1.00 0.00 C ATOM 865 O LYS A 174 -2.668 -5.836 -1.329 1.00 0.00 O ATOM 866 CB LYS A 174 -5.834 -5.832 -0.485 1.00 0.00 C ATOM 867 CG LYS A 174 -6.611 -6.625 -1.523 1.00 0.00 C ATOM 868 CD LYS A 174 -7.488 -7.683 -0.870 1.00 0.00 C ATOM 869 CE LYS A 174 -8.257 -8.489 -1.904 1.00 0.00 C ATOM 870 NZ LYS A 174 -7.350 -9.193 -2.852 1.00 0.00 N ATOM 0 H LYS A 174 -6.521 -4.000 -2.013 1.00 0.00 H new ATOM 0 HA LYS A 174 -4.352 -4.293 -0.263 1.00 0.00 H new ATOM 0 HB2 LYS A 174 -5.297 -6.527 0.160 1.00 0.00 H new ATOM 0 HB3 LYS A 174 -6.539 -5.292 0.146 1.00 0.00 H new ATOM 0 HG2 LYS A 174 -7.231 -5.948 -2.111 1.00 0.00 H new ATOM 0 HG3 LYS A 174 -5.916 -7.102 -2.214 1.00 0.00 H new ATOM 0 HD2 LYS A 174 -6.868 -8.352 -0.274 1.00 0.00 H new ATOM 0 HD3 LYS A 174 -8.189 -7.204 -0.186 1.00 0.00 H new ATOM 0 HE2 LYS A 174 -8.889 -9.219 -1.398 1.00 0.00 H new ATOM 0 HE3 LYS A 174 -8.919 -7.826 -2.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 174 -7.889 -9.908 -3.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 174 -6.940 -8.505 -3.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 174 -6.586 -9.658 -2.321 1.00 0.00 H new ATOM 884 N THR A 175 -4.034 -5.904 -3.115 1.00 0.00 N ATOM 885 CA THR A 175 -3.071 -6.611 -3.955 1.00 0.00 C ATOM 886 C THR A 175 -1.770 -5.819 -4.085 1.00 0.00 C ATOM 887 O THR A 175 -0.676 -6.363 -3.924 1.00 0.00 O ATOM 888 CB THR A 175 -3.642 -6.877 -5.361 1.00 0.00 C ATOM 889 OG1 THR A 175 -4.846 -7.647 -5.262 1.00 0.00 O ATOM 890 CG2 THR A 175 -2.635 -7.618 -6.229 1.00 0.00 C ATOM 0 H THR A 175 -4.922 -5.696 -3.573 1.00 0.00 H new ATOM 0 HA THR A 175 -2.865 -7.565 -3.469 1.00 0.00 H new ATOM 0 HB THR A 175 -3.859 -5.915 -5.826 1.00 0.00 H new ATOM 0 HG1 THR A 175 -5.583 -7.067 -4.978 1.00 0.00 H new ATOM 0 HG21 THR A 175 -3.064 -7.793 -7.216 1.00 0.00 H new ATOM 0 HG22 THR A 175 -1.730 -7.019 -6.328 1.00 0.00 H new ATOM 0 HG23 THR A 175 -2.389 -8.574 -5.766 1.00 0.00 H new ATOM 898 N LYS A 176 -1.897 -4.532 -4.375 1.00 0.00 N ATOM 899 CA LYS A 176 -0.735 -3.666 -4.525 1.00 0.00 C ATOM 900 C LYS A 176 0.061 -3.584 -3.226 1.00 0.00 C ATOM 901 O LYS A 176 1.288 -3.484 -3.248 1.00 0.00 O ATOM 902 CB LYS A 176 -1.172 -2.269 -4.962 1.00 0.00 C ATOM 903 CG LYS A 176 -1.907 -2.257 -6.293 1.00 0.00 C ATOM 904 CD LYS A 176 -2.271 -0.844 -6.723 1.00 0.00 C ATOM 905 CE LYS A 176 -3.234 -0.187 -5.744 1.00 0.00 C ATOM 906 NZ LYS A 176 -3.591 1.197 -6.160 1.00 0.00 N ATOM 0 H LYS A 176 -2.793 -4.064 -4.511 1.00 0.00 H new ATOM 0 HA LYS A 176 -0.090 -4.095 -5.292 1.00 0.00 H new ATOM 0 HB2 LYS A 176 -1.817 -1.841 -4.195 1.00 0.00 H new ATOM 0 HB3 LYS A 176 -0.294 -1.627 -5.034 1.00 0.00 H new ATOM 0 HG2 LYS A 176 -1.283 -2.720 -7.057 1.00 0.00 H new ATOM 0 HG3 LYS A 176 -2.813 -2.858 -6.214 1.00 0.00 H new ATOM 0 HD2 LYS A 176 -1.365 -0.243 -6.801 1.00 0.00 H new ATOM 0 HD3 LYS A 176 -2.722 -0.871 -7.715 1.00 0.00 H new ATOM 0 HE2 LYS A 176 -4.140 -0.788 -5.668 1.00 0.00 H new ATOM 0 HE3 LYS A 176 -2.783 -0.163 -4.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 176 -4.248 1.609 -5.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 176 -2.730 1.778 -6.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 176 -4.045 1.172 -7.095 1.00 0.00 H new ATOM 920 N ILE A 177 -0.643 -3.619 -2.098 1.00 0.00 N ATOM 921 CA ILE A 177 0.003 -3.538 -0.792 1.00 0.00 C ATOM 922 C ILE A 177 0.974 -4.691 -0.571 1.00 0.00 C ATOM 923 O ILE A 177 2.122 -4.473 -0.184 1.00 0.00 O ATOM 924 CB ILE A 177 -1.029 -3.515 0.351 1.00 0.00 C ATOM 925 CG1 ILE A 177 -1.974 -2.326 0.168 1.00 0.00 C ATOM 926 CG2 ILE A 177 -0.324 -3.450 1.702 1.00 0.00 C ATOM 927 CD1 ILE A 177 -2.908 -2.086 1.334 1.00 0.00 C ATOM 0 H ILE A 177 -1.659 -3.703 -2.062 1.00 0.00 H new ATOM 0 HA ILE A 177 0.561 -2.602 -0.783 1.00 0.00 H new ATOM 0 HB ILE A 177 -1.616 -4.433 0.324 1.00 0.00 H new ATOM 0 HG12 ILE A 177 -1.380 -1.427 0.003 1.00 0.00 H new ATOM 0 HG13 ILE A 177 -2.569 -2.485 -0.732 1.00 0.00 H new ATOM 0 HG21 ILE A 177 -1.067 -3.434 2.500 1.00 0.00 H new ATOM 0 HG22 ILE A 177 0.317 -4.324 1.820 1.00 0.00 H new ATOM 0 HG23 ILE A 177 0.282 -2.546 1.753 1.00 0.00 H new ATOM 0 HD11 ILE A 177 -3.542 -1.225 1.121 1.00 0.00 H new ATOM 0 HD12 ILE A 177 -3.531 -2.967 1.488 1.00 0.00 H new ATOM 0 HD13 ILE A 177 -2.324 -1.893 2.234 1.00 0.00 H new ATOM 939 N ASP A 178 0.519 -5.918 -0.817 1.00 0.00 N ATOM 940 CA ASP A 178 1.374 -7.083 -0.636 1.00 0.00 C ATOM 941 C ASP A 178 2.598 -6.983 -1.537 1.00 0.00 C ATOM 942 O ASP A 178 3.699 -7.377 -1.151 1.00 0.00 O ATOM 943 CB ASP A 178 0.608 -8.384 -0.904 1.00 0.00 C ATOM 944 CG ASP A 178 0.073 -8.479 -2.319 1.00 0.00 C ATOM 945 OD1 ASP A 178 0.888 -8.515 -3.264 1.00 0.00 O ATOM 946 OD2 ASP A 178 -1.165 -8.522 -2.480 1.00 0.00 O ATOM 0 H ASP A 178 -0.426 -6.127 -1.138 1.00 0.00 H new ATOM 0 HA ASP A 178 1.704 -7.103 0.403 1.00 0.00 H new ATOM 0 HB2 ASP A 178 1.266 -9.232 -0.713 1.00 0.00 H new ATOM 0 HB3 ASP A 178 -0.222 -8.461 -0.202 1.00 0.00 H new ATOM 951 N ILE A 179 2.402 -6.440 -2.736 1.00 0.00 N ATOM 952 CA ILE A 179 3.497 -6.274 -3.684 1.00 0.00 C ATOM 953 C ILE A 179 4.567 -5.344 -3.112 1.00 0.00 C ATOM 954 O ILE A 179 5.758 -5.657 -3.137 1.00 0.00 O ATOM 955 CB ILE A 179 3.002 -5.700 -5.027 1.00 0.00 C ATOM 956 CG1 ILE A 179 1.916 -6.599 -5.623 1.00 0.00 C ATOM 957 CG2 ILE A 179 4.166 -5.544 -5.998 1.00 0.00 C ATOM 958 CD1 ILE A 179 1.350 -6.087 -6.930 1.00 0.00 C ATOM 0 H ILE A 179 1.498 -6.109 -3.072 1.00 0.00 H new ATOM 0 HA ILE A 179 3.921 -7.263 -3.859 1.00 0.00 H new ATOM 0 HB ILE A 179 2.571 -4.715 -4.848 1.00 0.00 H new ATOM 0 HG12 ILE A 179 2.329 -7.595 -5.782 1.00 0.00 H new ATOM 0 HG13 ILE A 179 1.105 -6.701 -4.902 1.00 0.00 H new ATOM 0 HG21 ILE A 179 3.801 -5.138 -6.941 1.00 0.00 H new ATOM 0 HG22 ILE A 179 4.906 -4.866 -5.573 1.00 0.00 H new ATOM 0 HG23 ILE A 179 4.625 -6.517 -6.175 1.00 0.00 H new ATOM 0 HD11 ILE A 179 0.587 -6.776 -7.291 1.00 0.00 H new ATOM 0 HD12 ILE A 179 0.906 -5.104 -6.774 1.00 0.00 H new ATOM 0 HD13 ILE A 179 2.149 -6.012 -7.668 1.00 0.00 H new ATOM 970 N ILE A 180 4.127 -4.200 -2.590 1.00 0.00 N ATOM 971 CA ILE A 180 5.038 -3.223 -2.006 1.00 0.00 C ATOM 972 C ILE A 180 5.777 -3.814 -0.811 1.00 0.00 C ATOM 973 O ILE A 180 6.976 -3.590 -0.640 1.00 0.00 O ATOM 974 CB ILE A 180 4.290 -1.947 -1.561 1.00 0.00 C ATOM 975 CG1 ILE A 180 3.600 -1.291 -2.762 1.00 0.00 C ATOM 976 CG2 ILE A 180 5.254 -0.973 -0.896 1.00 0.00 C ATOM 977 CD1 ILE A 180 2.812 -0.046 -2.407 1.00 0.00 C ATOM 0 H ILE A 180 3.144 -3.929 -2.561 1.00 0.00 H new ATOM 0 HA ILE A 180 5.758 -2.956 -2.780 1.00 0.00 H new ATOM 0 HB ILE A 180 3.526 -2.223 -0.834 1.00 0.00 H new ATOM 0 HG12 ILE A 180 4.353 -1.033 -3.506 1.00 0.00 H new ATOM 0 HG13 ILE A 180 2.929 -2.015 -3.225 1.00 0.00 H new ATOM 0 HG21 ILE A 180 4.713 -0.079 -0.588 1.00 0.00 H new ATOM 0 HG22 ILE A 180 5.703 -1.445 -0.022 1.00 0.00 H new ATOM 0 HG23 ILE A 180 6.038 -0.698 -1.602 1.00 0.00 H new ATOM 0 HD11 ILE A 180 2.352 0.363 -3.307 1.00 0.00 H new ATOM 0 HD12 ILE A 180 2.035 -0.300 -1.686 1.00 0.00 H new ATOM 0 HD13 ILE A 180 3.481 0.697 -1.972 1.00 0.00 H new ATOM 989 N ARG A 181 5.056 -4.573 0.011 1.00 0.00 N ATOM 990 CA ARG A 181 5.648 -5.200 1.189 1.00 0.00 C ATOM 991 C ARG A 181 6.852 -6.047 0.793 1.00 0.00 C ATOM 992 O ARG A 181 7.896 -5.999 1.443 1.00 0.00 O ATOM 993 CB ARG A 181 4.611 -6.063 1.913 1.00 0.00 C ATOM 994 CG ARG A 181 5.160 -6.774 3.141 1.00 0.00 C ATOM 995 CD ARG A 181 4.081 -7.575 3.850 1.00 0.00 C ATOM 996 NE ARG A 181 4.605 -8.293 5.009 1.00 0.00 N ATOM 997 CZ ARG A 181 3.858 -9.043 5.814 1.00 0.00 C ATOM 998 NH1 ARG A 181 2.555 -9.161 5.594 1.00 0.00 N ATOM 999 NH2 ARG A 181 4.412 -9.672 6.840 1.00 0.00 N ATOM 0 H ARG A 181 4.063 -4.768 -0.117 1.00 0.00 H new ATOM 0 HA ARG A 181 5.982 -4.414 1.866 1.00 0.00 H new ATOM 0 HB2 ARG A 181 3.773 -5.434 2.212 1.00 0.00 H new ATOM 0 HB3 ARG A 181 4.220 -6.806 1.218 1.00 0.00 H new ATOM 0 HG2 ARG A 181 5.972 -7.438 2.845 1.00 0.00 H new ATOM 0 HG3 ARG A 181 5.582 -6.041 3.829 1.00 0.00 H new ATOM 0 HD2 ARG A 181 3.283 -6.905 4.169 1.00 0.00 H new ATOM 0 HD3 ARG A 181 3.640 -8.286 3.152 1.00 0.00 H new ATOM 0 HE ARG A 181 5.601 -8.215 5.213 1.00 0.00 H new ATOM 0 HH11 ARG A 181 2.125 -8.676 4.806 1.00 0.00 H new ATOM 0 HH12 ARG A 181 1.983 -9.737 6.212 1.00 0.00 H new ATOM 0 HH21 ARG A 181 5.413 -9.581 7.014 1.00 0.00 H new ATOM 0 HH22 ARG A 181 3.837 -10.247 7.456 1.00 0.00 H new ATOM 1013 N MET A 182 6.702 -6.812 -0.284 1.00 0.00 N ATOM 1014 CA MET A 182 7.782 -7.659 -0.774 1.00 0.00 C ATOM 1015 C MET A 182 8.987 -6.807 -1.155 1.00 0.00 C ATOM 1016 O MET A 182 10.130 -7.167 -0.873 1.00 0.00 O ATOM 1017 CB MET A 182 7.315 -8.478 -1.980 1.00 0.00 C ATOM 1018 CG MET A 182 8.380 -9.416 -2.529 1.00 0.00 C ATOM 1019 SD MET A 182 7.796 -10.388 -3.932 1.00 0.00 S ATOM 1020 CE MET A 182 6.446 -11.294 -3.180 1.00 0.00 C ATOM 0 H MET A 182 5.844 -6.862 -0.833 1.00 0.00 H new ATOM 0 HA MET A 182 8.072 -8.345 0.022 1.00 0.00 H new ATOM 0 HB2 MET A 182 6.440 -9.062 -1.695 1.00 0.00 H new ATOM 0 HB3 MET A 182 7.000 -7.797 -2.771 1.00 0.00 H new ATOM 0 HG2 MET A 182 9.250 -8.833 -2.833 1.00 0.00 H new ATOM 0 HG3 MET A 182 8.708 -10.089 -1.737 1.00 0.00 H new ATOM 0 HE1 MET A 182 6.422 -12.308 -3.578 1.00 0.00 H new ATOM 0 HE2 MET A 182 6.590 -11.331 -2.100 1.00 0.00 H new ATOM 0 HE3 MET A 182 5.503 -10.794 -3.403 1.00 0.00 H new ATOM 1030 N GLN A 183 8.718 -5.669 -1.792 1.00 0.00 N ATOM 1031 CA GLN A 183 9.776 -4.755 -2.207 1.00 0.00 C ATOM 1032 C GLN A 183 10.586 -4.285 -1.002 1.00 0.00 C ATOM 1033 O GLN A 183 11.810 -4.175 -1.071 1.00 0.00 O ATOM 1034 CB GLN A 183 9.184 -3.544 -2.933 1.00 0.00 C ATOM 1035 CG GLN A 183 8.385 -3.899 -4.177 1.00 0.00 C ATOM 1036 CD GLN A 183 9.229 -4.559 -5.252 1.00 0.00 C ATOM 1037 OE1 GLN A 183 9.776 -5.644 -5.051 1.00 0.00 O ATOM 1038 NE2 GLN A 183 9.338 -3.904 -6.402 1.00 0.00 N ATOM 0 H GLN A 183 7.776 -5.359 -2.031 1.00 0.00 H new ATOM 0 HA GLN A 183 10.436 -5.291 -2.888 1.00 0.00 H new ATOM 0 HB2 GLN A 183 8.540 -2.999 -2.243 1.00 0.00 H new ATOM 0 HB3 GLN A 183 9.993 -2.870 -3.213 1.00 0.00 H new ATOM 0 HG2 GLN A 183 7.570 -4.568 -3.901 1.00 0.00 H new ATOM 0 HG3 GLN A 183 7.932 -2.994 -4.582 1.00 0.00 H new ATOM 0 HE21 GLN A 183 8.867 -3.007 -6.525 1.00 0.00 H new ATOM 0 HE22 GLN A 183 9.892 -4.298 -7.163 1.00 0.00 H new ATOM 1047 N LEU A 184 9.890 -4.004 0.097 1.00 0.00 N ATOM 1048 CA LEU A 184 10.538 -3.540 1.320 1.00 0.00 C ATOM 1049 C LEU A 184 11.564 -4.551 1.801 1.00 0.00 C ATOM 1050 O LEU A 184 12.733 -4.224 2.003 1.00 0.00 O ATOM 1051 CB LEU A 184 9.501 -3.313 2.422 1.00 0.00 C ATOM 1052 CG LEU A 184 8.238 -2.569 1.988 1.00 0.00 C ATOM 1053 CD1 LEU A 184 7.404 -2.173 3.196 1.00 0.00 C ATOM 1054 CD2 LEU A 184 8.600 -1.351 1.159 1.00 0.00 C ATOM 0 H LEU A 184 8.876 -4.090 0.165 1.00 0.00 H new ATOM 0 HA LEU A 184 11.040 -2.599 1.096 1.00 0.00 H new ATOM 0 HB2 LEU A 184 9.210 -4.281 2.830 1.00 0.00 H new ATOM 0 HB3 LEU A 184 9.972 -2.755 3.231 1.00 0.00 H new ATOM 0 HG LEU A 184 7.639 -3.238 1.371 1.00 0.00 H new ATOM 0 HD11 LEU A 184 6.510 -1.645 2.864 1.00 0.00 H new ATOM 0 HD12 LEU A 184 7.113 -3.068 3.746 1.00 0.00 H new ATOM 0 HD13 LEU A 184 7.990 -1.522 3.845 1.00 0.00 H new ATOM 0 HD21 LEU A 184 7.690 -0.832 0.858 1.00 0.00 H new ATOM 0 HD22 LEU A 184 9.221 -0.679 1.751 1.00 0.00 H new ATOM 0 HD23 LEU A 184 9.149 -1.665 0.271 1.00 0.00 H new ATOM 1066 N ARG A 185 11.110 -5.783 1.977 1.00 0.00 N ATOM 1067 CA ARG A 185 11.977 -6.863 2.432 1.00 0.00 C ATOM 1068 C ARG A 185 13.192 -6.988 1.521 1.00 0.00 C ATOM 1069 O ARG A 185 14.316 -7.172 1.988 1.00 0.00 O ATOM 1070 CB ARG A 185 11.210 -8.186 2.476 1.00 0.00 C ATOM 1071 CG ARG A 185 10.033 -8.174 3.438 1.00 0.00 C ATOM 1072 CD ARG A 185 9.340 -9.527 3.491 1.00 0.00 C ATOM 1073 NE ARG A 185 10.233 -10.584 3.961 1.00 0.00 N ATOM 1074 CZ ARG A 185 10.776 -10.608 5.176 1.00 0.00 C ATOM 1075 NH1 ARG A 185 10.499 -9.652 6.053 1.00 0.00 N ATOM 1076 NH2 ARG A 185 11.593 -11.597 5.517 1.00 0.00 N ATOM 0 H ARG A 185 10.143 -6.062 1.811 1.00 0.00 H new ATOM 0 HA ARG A 185 12.319 -6.627 3.440 1.00 0.00 H new ATOM 0 HB2 ARG A 185 10.848 -8.420 1.475 1.00 0.00 H new ATOM 0 HB3 ARG A 185 11.895 -8.984 2.762 1.00 0.00 H new ATOM 0 HG2 ARG A 185 10.380 -7.903 4.435 1.00 0.00 H new ATOM 0 HG3 ARG A 185 9.319 -7.410 3.130 1.00 0.00 H new ATOM 0 HD2 ARG A 185 8.474 -9.465 4.150 1.00 0.00 H new ATOM 0 HD3 ARG A 185 8.968 -9.782 2.499 1.00 0.00 H new ATOM 0 HE ARG A 185 10.453 -11.347 3.321 1.00 0.00 H new ATOM 0 HH11 ARG A 185 9.867 -8.893 5.798 1.00 0.00 H new ATOM 0 HH12 ARG A 185 10.918 -9.676 6.983 1.00 0.00 H new ATOM 0 HH21 ARG A 185 11.804 -12.338 4.848 1.00 0.00 H new ATOM 0 HH22 ARG A 185 12.010 -11.616 6.448 1.00 0.00 H new ATOM 1090 N ARG A 186 12.955 -6.876 0.219 1.00 0.00 N ATOM 1091 CA ARG A 186 14.025 -6.964 -0.765 1.00 0.00 C ATOM 1092 C ARG A 186 15.028 -5.831 -0.574 1.00 0.00 C ATOM 1093 O ARG A 186 16.228 -6.005 -0.791 1.00 0.00 O ATOM 1094 CB ARG A 186 13.446 -6.920 -2.180 1.00 0.00 C ATOM 1095 CG ARG A 186 14.498 -7.018 -3.273 1.00 0.00 C ATOM 1096 CD ARG A 186 13.867 -7.009 -4.657 1.00 0.00 C ATOM 1097 NE ARG A 186 14.868 -7.076 -5.718 1.00 0.00 N ATOM 1098 CZ ARG A 186 15.782 -6.133 -5.935 1.00 0.00 C ATOM 1099 NH1 ARG A 186 15.818 -5.048 -5.173 1.00 0.00 N ATOM 1100 NH2 ARG A 186 16.660 -6.274 -6.919 1.00 0.00 N ATOM 0 H ARG A 186 12.028 -6.724 -0.179 1.00 0.00 H new ATOM 0 HA ARG A 186 14.544 -7.912 -0.623 1.00 0.00 H new ATOM 0 HB2 ARG A 186 12.735 -7.738 -2.298 1.00 0.00 H new ATOM 0 HB3 ARG A 186 12.889 -5.992 -2.306 1.00 0.00 H new ATOM 0 HG2 ARG A 186 15.195 -6.185 -3.184 1.00 0.00 H new ATOM 0 HG3 ARG A 186 15.076 -7.932 -3.142 1.00 0.00 H new ATOM 0 HD2 ARG A 186 13.185 -7.854 -4.749 1.00 0.00 H new ATOM 0 HD3 ARG A 186 13.272 -6.104 -4.778 1.00 0.00 H new ATOM 0 HE ARG A 186 14.867 -7.893 -6.328 1.00 0.00 H new ATOM 0 HH11 ARG A 186 15.143 -4.933 -4.417 1.00 0.00 H new ATOM 0 HH12 ARG A 186 16.520 -4.328 -5.343 1.00 0.00 H new ATOM 0 HH21 ARG A 186 16.635 -7.105 -7.510 1.00 0.00 H new ATOM 0 HH22 ARG A 186 17.360 -5.551 -7.085 1.00 0.00 H new ATOM 1114 N ALA A 187 14.526 -4.666 -0.169 1.00 0.00 N ATOM 1115 CA ALA A 187 15.376 -3.501 0.050 1.00 0.00 C ATOM 1116 C ALA A 187 16.384 -3.758 1.164 1.00 0.00 C ATOM 1117 O ALA A 187 17.568 -3.449 1.028 1.00 0.00 O ATOM 1118 CB ALA A 187 14.523 -2.284 0.375 1.00 0.00 C ATOM 0 H ALA A 187 13.535 -4.505 0.014 1.00 0.00 H new ATOM 0 HA ALA A 187 15.933 -3.308 -0.867 1.00 0.00 H new ATOM 0 HB1 ALA A 187 15.168 -1.420 0.537 1.00 0.00 H new ATOM 0 HB2 ALA A 187 13.847 -2.082 -0.455 1.00 0.00 H new ATOM 0 HB3 ALA A 187 13.942 -2.477 1.277 1.00 0.00 H new