USER MOD reduce.3.24.130724 H: found=0, std=0, add=372, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 374 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 184 ASN : amide:sc= -0.0853 K(o=-11,f=-16!) USER MOD Set 1.2: A 185 HIS : no HD1:sc= -4.58! C(o=-11!,f=-27!) USER MOD Set 1.3: A 245 TYR OH : rot 24:sc= -6.09! USER MOD Single : A 210 ASN : amide:sc= -0.344 X(o=-0.34,f=-0.057) USER MOD Single : A 211 TYR OH : rot 180:sc= 0 USER MOD Single : A 216 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 225 ASN : amide:sc= -0.501 X(o=-0.5,f=-0.085) USER MOD Single : A 226 THR OG1 : rot -78:sc= 0.913 USER MOD Single : A 229 THR OG1 : rot 180:sc= 0 USER MOD Single : A 230 TYR OH : rot -52:sc= -1.28! USER MOD Single : A 232 SER OG : rot 180:sc= 0 USER MOD Single : A 235 GLN : amide:sc= -0.0698 X(o=-0.07,f=-0.00025) USER MOD Single : A 240 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 244 ASN : amide:sc= -0.098 K(o=-0.098,f=-2.5!) USER MOD Single : A 246 CYS SG : rot 17:sc= -0.63 USER MOD Single : A 247 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 248 GLN : amide:sc= -0.234 K(o=-0.23,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 105 N ILE A 179 5.954 -1.234 -4.038 1.00 0.00 N ATOM 106 CA ILE A 179 5.349 -2.233 -3.112 1.00 0.00 C ATOM 107 C ILE A 179 6.068 -3.580 -3.250 1.00 0.00 C ATOM 108 O ILE A 179 6.240 -4.090 -4.340 1.00 0.00 O ATOM 109 CB ILE A 179 3.870 -2.324 -3.543 1.00 0.00 C ATOM 110 CG1 ILE A 179 2.988 -2.290 -2.299 1.00 0.00 C ATOM 111 CG2 ILE A 179 3.592 -3.623 -4.316 1.00 0.00 C ATOM 112 CD1 ILE A 179 1.517 -2.400 -2.705 1.00 0.00 C ATOM 0 HA ILE A 179 5.437 -1.950 -2.063 1.00 0.00 H new ATOM 0 HB ILE A 179 3.650 -1.480 -4.197 1.00 0.00 H new ATOM 0 HG12 ILE A 179 3.253 -3.110 -1.631 1.00 0.00 H new ATOM 0 HG13 ILE A 179 3.155 -1.364 -1.749 1.00 0.00 H new ATOM 0 HG21 ILE A 179 2.542 -3.657 -4.605 1.00 0.00 H new ATOM 0 HG22 ILE A 179 4.216 -3.655 -5.209 1.00 0.00 H new ATOM 0 HG23 ILE A 179 3.821 -4.480 -3.682 1.00 0.00 H new ATOM 0 HD11 ILE A 179 0.891 -2.375 -1.813 1.00 0.00 H new ATOM 0 HD12 ILE A 179 1.256 -1.565 -3.355 1.00 0.00 H new ATOM 0 HD13 ILE A 179 1.355 -3.338 -3.236 1.00 0.00 H new ATOM 124 N ASP A 180 6.478 -4.167 -2.161 1.00 0.00 N ATOM 125 CA ASP A 180 7.168 -5.482 -2.254 1.00 0.00 C ATOM 126 C ASP A 180 6.146 -6.603 -2.107 1.00 0.00 C ATOM 127 O ASP A 180 6.120 -7.535 -2.885 1.00 0.00 O ATOM 128 CB ASP A 180 8.165 -5.507 -1.095 1.00 0.00 C ATOM 129 CG ASP A 180 9.382 -6.347 -1.489 1.00 0.00 C ATOM 130 OD1 ASP A 180 9.232 -7.553 -1.604 1.00 0.00 O ATOM 131 OD2 ASP A 180 10.441 -5.770 -1.668 1.00 0.00 O ATOM 0 H ASP A 180 6.366 -3.796 -1.217 1.00 0.00 H new ATOM 0 HA ASP A 180 7.671 -5.620 -3.211 1.00 0.00 H new ATOM 0 HB2 ASP A 180 8.475 -4.492 -0.846 1.00 0.00 H new ATOM 0 HB3 ASP A 180 7.694 -5.924 -0.205 1.00 0.00 H new ATOM 136 N ILE A 181 5.304 -6.522 -1.114 1.00 0.00 N ATOM 137 CA ILE A 181 4.293 -7.596 -0.919 1.00 0.00 C ATOM 138 C ILE A 181 3.125 -7.106 -0.055 1.00 0.00 C ATOM 139 O ILE A 181 3.309 -6.423 0.932 1.00 0.00 O ATOM 140 CB ILE A 181 5.051 -8.689 -0.173 1.00 0.00 C ATOM 141 CG1 ILE A 181 6.032 -9.393 -1.110 1.00 0.00 C ATOM 142 CG2 ILE A 181 4.059 -9.711 0.382 1.00 0.00 C ATOM 143 CD1 ILE A 181 6.615 -10.613 -0.397 1.00 0.00 C ATOM 0 H ILE A 181 5.273 -5.763 -0.433 1.00 0.00 H new ATOM 0 HA ILE A 181 3.867 -7.929 -1.865 1.00 0.00 H new ATOM 0 HB ILE A 181 5.609 -8.233 0.645 1.00 0.00 H new ATOM 0 HG12 ILE A 181 5.525 -9.699 -2.025 1.00 0.00 H new ATOM 0 HG13 ILE A 181 6.830 -8.710 -1.401 1.00 0.00 H new ATOM 0 HG21 ILE A 181 4.601 -10.492 0.915 1.00 0.00 H new ATOM 0 HG22 ILE A 181 3.371 -9.215 1.066 1.00 0.00 H new ATOM 0 HG23 ILE A 181 3.497 -10.156 -0.439 1.00 0.00 H new ATOM 0 HD11 ILE A 181 7.316 -11.121 -1.059 1.00 0.00 H new ATOM 0 HD12 ILE A 181 7.135 -10.293 0.506 1.00 0.00 H new ATOM 0 HD13 ILE A 181 5.810 -11.297 -0.128 1.00 0.00 H new ATOM 155 N VAL A 182 1.928 -7.485 -0.403 1.00 0.00 N ATOM 156 CA VAL A 182 0.749 -7.086 0.410 1.00 0.00 C ATOM 157 C VAL A 182 0.560 -8.119 1.526 1.00 0.00 C ATOM 158 O VAL A 182 -0.073 -9.140 1.342 1.00 0.00 O ATOM 159 CB VAL A 182 -0.425 -7.101 -0.572 1.00 0.00 C ATOM 160 CG1 VAL A 182 -1.660 -6.492 0.094 1.00 0.00 C ATOM 161 CG2 VAL A 182 -0.052 -6.278 -1.807 1.00 0.00 C ATOM 0 H VAL A 182 1.716 -8.057 -1.220 1.00 0.00 H new ATOM 0 HA VAL A 182 0.849 -6.109 0.882 1.00 0.00 H new ATOM 0 HB VAL A 182 -0.646 -8.127 -0.865 1.00 0.00 H new ATOM 0 HG11 VAL A 182 -2.495 -6.504 -0.607 1.00 0.00 H new ATOM 0 HG12 VAL A 182 -1.921 -7.074 0.978 1.00 0.00 H new ATOM 0 HG13 VAL A 182 -1.446 -5.464 0.386 1.00 0.00 H new ATOM 0 HG21 VAL A 182 -0.883 -6.283 -2.512 1.00 0.00 H new ATOM 0 HG22 VAL A 182 0.164 -5.252 -1.509 1.00 0.00 H new ATOM 0 HG23 VAL A 182 0.829 -6.712 -2.281 1.00 0.00 H new ATOM 171 N ILE A 183 1.138 -7.871 2.670 1.00 0.00 N ATOM 172 CA ILE A 183 1.037 -8.846 3.798 1.00 0.00 C ATOM 173 C ILE A 183 -0.419 -9.194 4.104 1.00 0.00 C ATOM 174 O ILE A 183 -0.747 -10.325 4.402 1.00 0.00 O ATOM 175 CB ILE A 183 1.664 -8.137 4.999 1.00 0.00 C ATOM 176 CG1 ILE A 183 3.114 -7.771 4.686 1.00 0.00 C ATOM 177 CG2 ILE A 183 1.633 -9.064 6.213 1.00 0.00 C ATOM 178 CD1 ILE A 183 3.884 -9.029 4.285 1.00 0.00 C ATOM 0 H ILE A 183 1.679 -7.031 2.874 1.00 0.00 H new ATOM 0 HA ILE A 183 1.538 -9.783 3.555 1.00 0.00 H new ATOM 0 HB ILE A 183 1.098 -7.230 5.213 1.00 0.00 H new ATOM 0 HG12 ILE A 183 3.149 -7.038 3.880 1.00 0.00 H new ATOM 0 HG13 ILE A 183 3.579 -7.309 5.557 1.00 0.00 H new ATOM 0 HG21 ILE A 183 2.080 -8.558 7.069 1.00 0.00 H new ATOM 0 HG22 ILE A 183 0.601 -9.325 6.445 1.00 0.00 H new ATOM 0 HG23 ILE A 183 2.196 -9.971 5.993 1.00 0.00 H new ATOM 0 HD11 ILE A 183 4.918 -8.767 4.062 1.00 0.00 H new ATOM 0 HD12 ILE A 183 3.860 -9.747 5.105 1.00 0.00 H new ATOM 0 HD13 ILE A 183 3.423 -9.472 3.402 1.00 0.00 H new ATOM 190 N ASN A 184 -1.291 -8.232 4.052 1.00 0.00 N ATOM 191 CA ASN A 184 -2.719 -8.509 4.362 1.00 0.00 C ATOM 192 C ASN A 184 -3.549 -7.242 4.174 1.00 0.00 C ATOM 193 O ASN A 184 -3.085 -6.263 3.624 1.00 0.00 O ATOM 194 CB ASN A 184 -2.723 -8.937 5.830 1.00 0.00 C ATOM 195 CG ASN A 184 -3.965 -9.783 6.117 1.00 0.00 C ATOM 196 OD1 ASN A 184 -4.847 -9.893 5.289 1.00 0.00 O ATOM 197 ND2 ASN A 184 -4.069 -10.392 7.268 1.00 0.00 N ATOM 0 H ASN A 184 -1.078 -7.265 3.808 1.00 0.00 H new ATOM 0 HA ASN A 184 -3.147 -9.271 3.711 1.00 0.00 H new ATOM 0 HB2 ASN A 184 -1.822 -9.508 6.055 1.00 0.00 H new ATOM 0 HB3 ASN A 184 -2.713 -8.058 6.475 1.00 0.00 H new ATOM 0 HD21 ASN A 184 -4.891 -10.960 7.472 1.00 0.00 H new ATOM 0 HD22 ASN A 184 -3.328 -10.299 7.963 1.00 0.00 H new ATOM 204 N HIS A 185 -4.771 -7.244 4.624 1.00 0.00 N ATOM 205 CA HIS A 185 -5.611 -6.028 4.461 1.00 0.00 C ATOM 206 C HIS A 185 -6.851 -6.096 5.356 1.00 0.00 C ATOM 207 O HIS A 185 -7.053 -7.040 6.095 1.00 0.00 O ATOM 208 CB HIS A 185 -6.008 -6.021 2.978 1.00 0.00 C ATOM 209 CG HIS A 185 -7.185 -6.938 2.754 1.00 0.00 C ATOM 210 ND1 HIS A 185 -7.042 -8.306 2.578 1.00 0.00 N ATOM 211 CD2 HIS A 185 -8.532 -6.694 2.684 1.00 0.00 C ATOM 212 CE1 HIS A 185 -8.270 -8.826 2.414 1.00 0.00 C ATOM 213 NE2 HIS A 185 -9.218 -7.887 2.470 1.00 0.00 N ATOM 0 H HIS A 185 -5.222 -8.029 5.094 1.00 0.00 H new ATOM 0 HA HIS A 185 -5.079 -5.121 4.748 1.00 0.00 H new ATOM 0 HB2 HIS A 185 -6.261 -5.008 2.666 1.00 0.00 H new ATOM 0 HB3 HIS A 185 -5.165 -6.342 2.366 1.00 0.00 H new ATOM 0 HD2 HIS A 185 -8.993 -5.722 2.780 1.00 0.00 H new ATOM 0 HE1 HIS A 185 -8.467 -9.876 2.256 1.00 0.00 H new ATOM 0 HE2 HIS A 185 -10.226 -8.016 2.376 1.00 0.00 H new ATOM 221 N ARG A 186 -7.684 -5.097 5.282 1.00 0.00 N ATOM 222 CA ARG A 186 -8.924 -5.078 6.108 1.00 0.00 C ATOM 223 C ARG A 186 -9.594 -3.708 6.001 1.00 0.00 C ATOM 224 O ARG A 186 -8.979 -2.735 5.610 1.00 0.00 O ATOM 225 CB ARG A 186 -8.469 -5.344 7.544 1.00 0.00 C ATOM 226 CG ARG A 186 -7.194 -4.551 7.840 1.00 0.00 C ATOM 227 CD ARG A 186 -7.359 -3.796 9.161 1.00 0.00 C ATOM 228 NE ARG A 186 -5.969 -3.519 9.621 1.00 0.00 N ATOM 229 CZ ARG A 186 -5.646 -3.704 10.872 1.00 0.00 C ATOM 230 NH1 ARG A 186 -6.459 -3.329 11.821 1.00 0.00 N ATOM 231 NH2 ARG A 186 -4.506 -4.265 11.175 1.00 0.00 N ATOM 0 H ARG A 186 -7.558 -4.284 4.679 1.00 0.00 H new ATOM 0 HA ARG A 186 -9.649 -5.822 5.778 1.00 0.00 H new ATOM 0 HB2 ARG A 186 -9.256 -5.059 8.243 1.00 0.00 H new ATOM 0 HB3 ARG A 186 -8.287 -6.409 7.686 1.00 0.00 H new ATOM 0 HG2 ARG A 186 -6.339 -5.225 7.898 1.00 0.00 H new ATOM 0 HG3 ARG A 186 -6.993 -3.850 7.030 1.00 0.00 H new ATOM 0 HD2 ARG A 186 -7.920 -2.872 9.020 1.00 0.00 H new ATOM 0 HD3 ARG A 186 -7.905 -4.393 9.891 1.00 0.00 H new ATOM 0 HE ARG A 186 -5.270 -3.185 8.958 1.00 0.00 H new ATOM 0 HH11 ARG A 186 -7.349 -2.890 11.586 1.00 0.00 H new ATOM 0 HH12 ARG A 186 -6.204 -3.475 12.798 1.00 0.00 H new ATOM 0 HH21 ARG A 186 -3.869 -4.558 10.434 1.00 0.00 H new ATOM 0 HH22 ARG A 186 -4.253 -4.410 12.152 1.00 0.00 H new ATOM 612 N ASN A 210 -13.215 1.416 0.251 1.00 0.00 N ATOM 613 CA ASN A 210 -13.131 1.480 1.740 1.00 0.00 C ATOM 614 C ASN A 210 -12.345 0.288 2.290 1.00 0.00 C ATOM 615 O ASN A 210 -12.894 -0.588 2.927 1.00 0.00 O ATOM 616 CB ASN A 210 -14.583 1.428 2.219 1.00 0.00 C ATOM 617 CG ASN A 210 -15.145 2.848 2.296 1.00 0.00 C ATOM 618 OD1 ASN A 210 -16.207 3.123 1.778 1.00 0.00 O ATOM 619 ND2 ASN A 210 -14.466 3.769 2.925 1.00 0.00 N ATOM 0 HA ASN A 210 -12.615 2.378 2.081 1.00 0.00 H new ATOM 0 HB2 ASN A 210 -15.181 0.825 1.536 1.00 0.00 H new ATOM 0 HB3 ASN A 210 -14.638 0.950 3.197 1.00 0.00 H new ATOM 0 HD21 ASN A 210 -14.828 4.721 2.981 1.00 0.00 H new ATOM 0 HD22 ASN A 210 -13.573 3.537 3.360 1.00 0.00 H new ATOM 626 N TYR A 211 -11.064 0.249 2.049 1.00 0.00 N ATOM 627 CA TYR A 211 -10.246 -0.889 2.561 1.00 0.00 C ATOM 628 C TYR A 211 -8.757 -0.537 2.551 1.00 0.00 C ATOM 629 O TYR A 211 -8.257 0.068 1.624 1.00 0.00 O ATOM 630 CB TYR A 211 -10.516 -2.027 1.588 1.00 0.00 C ATOM 631 CG TYR A 211 -11.355 -3.089 2.257 1.00 0.00 C ATOM 632 CD1 TYR A 211 -10.745 -4.047 3.075 1.00 0.00 C ATOM 633 CD2 TYR A 211 -12.740 -3.117 2.058 1.00 0.00 C ATOM 634 CE1 TYR A 211 -11.522 -5.034 3.696 1.00 0.00 C ATOM 635 CE2 TYR A 211 -13.516 -4.103 2.678 1.00 0.00 C ATOM 636 CZ TYR A 211 -12.907 -5.062 3.497 1.00 0.00 C ATOM 637 OH TYR A 211 -13.673 -6.034 4.108 1.00 0.00 O ATOM 0 H TYR A 211 -10.548 0.953 1.521 1.00 0.00 H new ATOM 0 HA TYR A 211 -10.503 -1.143 3.589 1.00 0.00 H new ATOM 0 HB2 TYR A 211 -11.031 -1.648 0.705 1.00 0.00 H new ATOM 0 HB3 TYR A 211 -9.574 -2.457 1.248 1.00 0.00 H new ATOM 0 HD1 TYR A 211 -9.676 -4.026 3.227 1.00 0.00 H new ATOM 0 HD2 TYR A 211 -13.210 -2.378 1.426 1.00 0.00 H new ATOM 0 HE1 TYR A 211 -11.052 -5.773 4.328 1.00 0.00 H new ATOM 0 HE2 TYR A 211 -14.585 -4.124 2.525 1.00 0.00 H new ATOM 0 HH TYR A 211 -14.614 -5.909 3.866 1.00 0.00 H new ATOM 647 N GLU A 212 -8.041 -0.934 3.565 1.00 0.00 N ATOM 648 CA GLU A 212 -6.579 -0.649 3.603 1.00 0.00 C ATOM 649 C GLU A 212 -5.812 -1.946 3.342 1.00 0.00 C ATOM 650 O GLU A 212 -6.396 -3.005 3.239 1.00 0.00 O ATOM 651 CB GLU A 212 -6.298 -0.120 5.012 1.00 0.00 C ATOM 652 CG GLU A 212 -6.974 -1.019 6.047 1.00 0.00 C ATOM 653 CD GLU A 212 -6.459 -0.664 7.442 1.00 0.00 C ATOM 654 OE1 GLU A 212 -7.005 0.250 8.038 1.00 0.00 O ATOM 655 OE2 GLU A 212 -5.529 -1.311 7.893 1.00 0.00 O ATOM 0 H GLU A 212 -8.405 -1.444 4.370 1.00 0.00 H new ATOM 0 HA GLU A 212 -6.270 0.074 2.848 1.00 0.00 H new ATOM 0 HB2 GLU A 212 -5.223 -0.088 5.191 1.00 0.00 H new ATOM 0 HB3 GLU A 212 -6.667 0.901 5.107 1.00 0.00 H new ATOM 0 HG2 GLU A 212 -8.056 -0.892 6.004 1.00 0.00 H new ATOM 0 HG3 GLU A 212 -6.766 -2.066 5.826 1.00 0.00 H new ATOM 662 N PHE A 213 -4.516 -1.881 3.226 1.00 0.00 N ATOM 663 CA PHE A 213 -3.742 -3.128 2.963 1.00 0.00 C ATOM 664 C PHE A 213 -2.369 -3.064 3.622 1.00 0.00 C ATOM 665 O PHE A 213 -1.666 -2.076 3.514 1.00 0.00 O ATOM 666 CB PHE A 213 -3.564 -3.177 1.448 1.00 0.00 C ATOM 667 CG PHE A 213 -4.905 -3.235 0.767 1.00 0.00 C ATOM 668 CD1 PHE A 213 -5.597 -2.052 0.487 1.00 0.00 C ATOM 669 CD2 PHE A 213 -5.451 -4.470 0.405 1.00 0.00 C ATOM 670 CE1 PHE A 213 -6.837 -2.105 -0.155 1.00 0.00 C ATOM 671 CE2 PHE A 213 -6.690 -4.524 -0.239 1.00 0.00 C ATOM 672 CZ PHE A 213 -7.383 -3.342 -0.518 1.00 0.00 C ATOM 0 H PHE A 213 -3.962 -1.028 3.301 1.00 0.00 H new ATOM 0 HA PHE A 213 -4.257 -4.003 3.360 1.00 0.00 H new ATOM 0 HB2 PHE A 213 -3.015 -2.298 1.111 1.00 0.00 H new ATOM 0 HB3 PHE A 213 -2.970 -4.049 1.173 1.00 0.00 H new ATOM 0 HD1 PHE A 213 -5.173 -1.099 0.767 1.00 0.00 H new ATOM 0 HD2 PHE A 213 -4.915 -5.382 0.623 1.00 0.00 H new ATOM 0 HE1 PHE A 213 -7.374 -1.193 -0.371 1.00 0.00 H new ATOM 0 HE2 PHE A 213 -7.112 -5.477 -0.521 1.00 0.00 H new ATOM 0 HZ PHE A 213 -8.341 -3.383 -1.014 1.00 0.00 H new ATOM 682 N LEU A 214 -1.957 -4.115 4.272 1.00 0.00 N ATOM 683 CA LEU A 214 -0.604 -4.099 4.886 1.00 0.00 C ATOM 684 C LEU A 214 0.419 -4.194 3.767 1.00 0.00 C ATOM 685 O LEU A 214 0.573 -5.221 3.135 1.00 0.00 O ATOM 686 CB LEU A 214 -0.538 -5.332 5.785 1.00 0.00 C ATOM 687 CG LEU A 214 0.677 -5.261 6.726 1.00 0.00 C ATOM 688 CD1 LEU A 214 0.930 -3.825 7.194 1.00 0.00 C ATOM 689 CD2 LEU A 214 0.407 -6.149 7.939 1.00 0.00 C ATOM 0 H LEU A 214 -2.491 -4.974 4.403 1.00 0.00 H new ATOM 0 HA LEU A 214 -0.405 -3.195 5.462 1.00 0.00 H new ATOM 0 HB2 LEU A 214 -1.453 -5.409 6.372 1.00 0.00 H new ATOM 0 HB3 LEU A 214 -0.476 -6.231 5.172 1.00 0.00 H new ATOM 0 HG LEU A 214 1.561 -5.603 6.188 1.00 0.00 H new ATOM 0 HD11 LEU A 214 1.794 -3.806 7.858 1.00 0.00 H new ATOM 0 HD12 LEU A 214 1.122 -3.189 6.330 1.00 0.00 H new ATOM 0 HD13 LEU A 214 0.054 -3.457 7.728 1.00 0.00 H new ATOM 0 HD21 LEU A 214 1.260 -6.109 8.616 1.00 0.00 H new ATOM 0 HD22 LEU A 214 -0.484 -5.796 8.457 1.00 0.00 H new ATOM 0 HD23 LEU A 214 0.252 -7.177 7.610 1.00 0.00 H new ATOM 701 N ILE A 215 1.087 -3.122 3.486 1.00 0.00 N ATOM 702 CA ILE A 215 2.064 -3.141 2.374 1.00 0.00 C ATOM 703 C ILE A 215 3.478 -3.464 2.851 1.00 0.00 C ATOM 704 O ILE A 215 4.133 -2.648 3.471 1.00 0.00 O ATOM 705 CB ILE A 215 2.031 -1.728 1.818 1.00 0.00 C ATOM 706 CG1 ILE A 215 0.584 -1.269 1.613 1.00 0.00 C ATOM 707 CG2 ILE A 215 2.777 -1.710 0.491 1.00 0.00 C ATOM 708 CD1 ILE A 215 -0.213 -2.362 0.909 1.00 0.00 C ATOM 0 H ILE A 215 1.000 -2.232 3.977 1.00 0.00 H new ATOM 0 HA ILE A 215 1.808 -3.908 1.643 1.00 0.00 H new ATOM 0 HB ILE A 215 2.508 -1.046 2.522 1.00 0.00 H new ATOM 0 HG12 ILE A 215 0.127 -1.036 2.575 1.00 0.00 H new ATOM 0 HG13 ILE A 215 0.564 -0.354 1.021 1.00 0.00 H new ATOM 0 HG21 ILE A 215 2.762 -0.701 0.079 1.00 0.00 H new ATOM 0 HG22 ILE A 215 3.809 -2.022 0.650 1.00 0.00 H new ATOM 0 HG23 ILE A 215 2.295 -2.394 -0.207 1.00 0.00 H new ATOM 0 HD11 ILE A 215 -1.241 -2.028 0.767 1.00 0.00 H new ATOM 0 HD12 ILE A 215 0.237 -2.573 -0.061 1.00 0.00 H new ATOM 0 HD13 ILE A 215 -0.206 -3.266 1.517 1.00 0.00 H new ATOM 720 N LYS A 216 3.975 -4.627 2.532 1.00 0.00 N ATOM 721 CA LYS A 216 5.372 -4.958 2.931 1.00 0.00 C ATOM 722 C LYS A 216 6.330 -4.213 1.995 1.00 0.00 C ATOM 723 O LYS A 216 6.581 -4.639 0.887 1.00 0.00 O ATOM 724 CB LYS A 216 5.521 -6.472 2.744 1.00 0.00 C ATOM 725 CG LYS A 216 6.989 -6.865 2.927 1.00 0.00 C ATOM 726 CD LYS A 216 7.135 -8.378 2.755 1.00 0.00 C ATOM 727 CE LYS A 216 8.349 -8.872 3.546 1.00 0.00 C ATOM 728 NZ LYS A 216 8.637 -10.233 3.008 1.00 0.00 N ATOM 0 H LYS A 216 3.480 -5.356 2.018 1.00 0.00 H new ATOM 0 HA LYS A 216 5.593 -4.671 3.959 1.00 0.00 H new ATOM 0 HB2 LYS A 216 4.899 -7.002 3.465 1.00 0.00 H new ATOM 0 HB3 LYS A 216 5.176 -6.763 1.752 1.00 0.00 H new ATOM 0 HG2 LYS A 216 7.610 -6.343 2.199 1.00 0.00 H new ATOM 0 HG3 LYS A 216 7.337 -6.565 3.916 1.00 0.00 H new ATOM 0 HD2 LYS A 216 6.233 -8.882 3.102 1.00 0.00 H new ATOM 0 HD3 LYS A 216 7.252 -8.624 1.700 1.00 0.00 H new ATOM 0 HE2 LYS A 216 9.203 -8.207 3.414 1.00 0.00 H new ATOM 0 HE3 LYS A 216 8.135 -8.908 4.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 216 9.458 -10.635 3.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 216 7.810 -10.846 3.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 216 8.844 -10.168 1.991 1.00 0.00 H new ATOM 742 N TRP A 217 6.852 -3.096 2.416 1.00 0.00 N ATOM 743 CA TRP A 217 7.777 -2.336 1.524 1.00 0.00 C ATOM 744 C TRP A 217 9.195 -2.903 1.632 1.00 0.00 C ATOM 745 O TRP A 217 9.389 -4.093 1.781 1.00 0.00 O ATOM 746 CB TRP A 217 7.740 -0.895 2.035 1.00 0.00 C ATOM 747 CG TRP A 217 6.327 -0.406 2.075 1.00 0.00 C ATOM 748 CD1 TRP A 217 5.507 -0.492 3.147 1.00 0.00 C ATOM 749 CD2 TRP A 217 5.554 0.239 1.020 1.00 0.00 C ATOM 750 NE1 TRP A 217 4.289 0.074 2.825 1.00 0.00 N ATOM 751 CE2 TRP A 217 4.262 0.529 1.521 1.00 0.00 C ATOM 752 CE3 TRP A 217 5.846 0.596 -0.309 1.00 0.00 C ATOM 753 CZ2 TRP A 217 3.294 1.153 0.729 1.00 0.00 C ATOM 754 CZ3 TRP A 217 4.874 1.223 -1.107 1.00 0.00 C ATOM 755 CH2 TRP A 217 3.600 1.499 -0.588 1.00 0.00 C ATOM 0 H TRP A 217 6.682 -2.677 3.330 1.00 0.00 H new ATOM 0 HA TRP A 217 7.482 -2.402 0.477 1.00 0.00 H new ATOM 0 HB2 TRP A 217 8.181 -0.841 3.030 1.00 0.00 H new ATOM 0 HB3 TRP A 217 8.338 -0.254 1.387 1.00 0.00 H new ATOM 0 HD1 TRP A 217 5.763 -0.932 4.100 1.00 0.00 H new ATOM 0 HE1 TRP A 217 3.504 0.147 3.472 1.00 0.00 H new ATOM 0 HE3 TRP A 217 6.823 0.387 -0.719 1.00 0.00 H new ATOM 0 HZ2 TRP A 217 2.316 1.366 1.134 1.00 0.00 H new ATOM 0 HZ3 TRP A 217 5.109 1.494 -2.126 1.00 0.00 H new ATOM 0 HH2 TRP A 217 2.857 1.979 -1.207 1.00 0.00 H new ATOM 871 N ASN A 225 7.154 -3.053 6.760 1.00 0.00 N ATOM 872 CA ASN A 225 5.699 -3.280 6.518 1.00 0.00 C ATOM 873 C ASN A 225 4.872 -2.179 7.181 1.00 0.00 C ATOM 874 O ASN A 225 5.192 -1.704 8.252 1.00 0.00 O ATOM 875 CB ASN A 225 5.399 -4.637 7.157 1.00 0.00 C ATOM 876 CG ASN A 225 5.772 -4.597 8.639 1.00 0.00 C ATOM 877 OD1 ASN A 225 6.872 -4.956 9.011 1.00 0.00 O ATOM 878 ND2 ASN A 225 4.898 -4.171 9.507 1.00 0.00 N ATOM 0 HA ASN A 225 5.450 -3.265 5.457 1.00 0.00 H new ATOM 0 HB2 ASN A 225 4.342 -4.878 7.044 1.00 0.00 H new ATOM 0 HB3 ASN A 225 5.961 -5.422 6.651 1.00 0.00 H new ATOM 0 HD21 ASN A 225 5.137 -4.139 10.498 1.00 0.00 H new ATOM 0 HD22 ASN A 225 3.975 -3.870 9.195 1.00 0.00 H new ATOM 885 N THR A 226 3.808 -1.778 6.547 1.00 0.00 N ATOM 886 CA THR A 226 2.944 -0.717 7.122 1.00 0.00 C ATOM 887 C THR A 226 1.552 -0.827 6.505 1.00 0.00 C ATOM 888 O THR A 226 1.377 -1.418 5.459 1.00 0.00 O ATOM 889 CB THR A 226 3.601 0.607 6.729 1.00 0.00 C ATOM 890 OG1 THR A 226 3.771 0.650 5.319 1.00 0.00 O ATOM 891 CG2 THR A 226 4.964 0.731 7.414 1.00 0.00 C ATOM 0 H THR A 226 3.499 -2.144 5.647 1.00 0.00 H new ATOM 0 HA THR A 226 2.841 -0.798 8.204 1.00 0.00 H new ATOM 0 HB THR A 226 2.965 1.434 7.044 1.00 0.00 H new ATOM 0 HG1 THR A 226 4.548 0.109 5.067 1.00 0.00 H new ATOM 0 HG21 THR A 226 5.429 1.676 7.131 1.00 0.00 H new ATOM 0 HG22 THR A 226 4.832 0.701 8.496 1.00 0.00 H new ATOM 0 HG23 THR A 226 5.604 -0.095 7.104 1.00 0.00 H new ATOM 899 N TRP A 227 0.562 -0.276 7.137 1.00 0.00 N ATOM 900 CA TRP A 227 -0.807 -0.373 6.569 1.00 0.00 C ATOM 901 C TRP A 227 -1.141 0.880 5.766 1.00 0.00 C ATOM 902 O TRP A 227 -1.511 1.903 6.308 1.00 0.00 O ATOM 903 CB TRP A 227 -1.718 -0.517 7.780 1.00 0.00 C ATOM 904 CG TRP A 227 -1.673 -1.937 8.233 1.00 0.00 C ATOM 905 CD1 TRP A 227 -0.723 -2.472 9.036 1.00 0.00 C ATOM 906 CD2 TRP A 227 -2.586 -3.019 7.899 1.00 0.00 C ATOM 907 NE1 TRP A 227 -1.006 -3.812 9.228 1.00 0.00 N ATOM 908 CE2 TRP A 227 -2.146 -4.195 8.548 1.00 0.00 C ATOM 909 CE3 TRP A 227 -3.746 -3.091 7.107 1.00 0.00 C ATOM 910 CZ2 TRP A 227 -2.834 -5.400 8.416 1.00 0.00 C ATOM 911 CZ3 TRP A 227 -4.437 -4.304 6.971 1.00 0.00 C ATOM 912 CH2 TRP A 227 -3.980 -5.456 7.627 1.00 0.00 C ATOM 0 H TRP A 227 0.638 0.235 8.017 1.00 0.00 H new ATOM 0 HA TRP A 227 -0.917 -1.211 5.880 1.00 0.00 H new ATOM 0 HB2 TRP A 227 -1.393 0.148 8.581 1.00 0.00 H new ATOM 0 HB3 TRP A 227 -2.738 -0.232 7.524 1.00 0.00 H new ATOM 0 HD1 TRP A 227 0.117 -1.940 9.457 1.00 0.00 H new ATOM 0 HE1 TRP A 227 -0.443 -4.440 9.801 1.00 0.00 H new ATOM 0 HE3 TRP A 227 -4.107 -2.208 6.601 1.00 0.00 H new ATOM 0 HZ2 TRP A 227 -2.480 -6.286 8.923 1.00 0.00 H new ATOM 0 HZ3 TRP A 227 -5.325 -4.351 6.358 1.00 0.00 H new ATOM 0 HH2 TRP A 227 -4.517 -6.387 7.520 1.00 0.00 H new ATOM 923 N GLU A 228 -1.014 0.804 4.471 1.00 0.00 N ATOM 924 CA GLU A 228 -1.325 1.982 3.623 1.00 0.00 C ATOM 925 C GLU A 228 -2.682 1.797 2.945 1.00 0.00 C ATOM 926 O GLU A 228 -3.387 0.840 3.193 1.00 0.00 O ATOM 927 CB GLU A 228 -0.204 2.030 2.581 1.00 0.00 C ATOM 928 CG GLU A 228 1.143 2.209 3.284 1.00 0.00 C ATOM 929 CD GLU A 228 1.035 3.330 4.320 1.00 0.00 C ATOM 930 OE1 GLU A 228 0.444 3.093 5.361 1.00 0.00 O ATOM 931 OE2 GLU A 228 1.543 4.406 4.053 1.00 0.00 O ATOM 0 H GLU A 228 -0.707 -0.026 3.964 1.00 0.00 H new ATOM 0 HA GLU A 228 -1.381 2.905 4.201 1.00 0.00 H new ATOM 0 HB2 GLU A 228 -0.200 1.112 1.994 1.00 0.00 H new ATOM 0 HB3 GLU A 228 -0.375 2.852 1.886 1.00 0.00 H new ATOM 0 HG2 GLU A 228 1.438 1.279 3.769 1.00 0.00 H new ATOM 0 HG3 GLU A 228 1.917 2.447 2.554 1.00 0.00 H new ATOM 938 N THR A 229 -3.045 2.702 2.085 1.00 0.00 N ATOM 939 CA THR A 229 -4.345 2.586 1.376 1.00 0.00 C ATOM 940 C THR A 229 -4.149 3.010 -0.076 1.00 0.00 C ATOM 941 O THR A 229 -3.233 3.740 -0.394 1.00 0.00 O ATOM 942 CB THR A 229 -5.287 3.547 2.102 1.00 0.00 C ATOM 943 OG1 THR A 229 -4.628 4.788 2.310 1.00 0.00 O ATOM 944 CG2 THR A 229 -5.692 2.950 3.451 1.00 0.00 C ATOM 0 H THR A 229 -2.492 3.524 1.841 1.00 0.00 H new ATOM 0 HA THR A 229 -4.744 1.572 1.376 1.00 0.00 H new ATOM 0 HB THR A 229 -6.179 3.706 1.496 1.00 0.00 H new ATOM 0 HG1 THR A 229 -5.232 5.405 2.774 1.00 0.00 H new ATOM 0 HG21 THR A 229 -6.363 3.637 3.966 1.00 0.00 H new ATOM 0 HG22 THR A 229 -6.200 1.999 3.290 1.00 0.00 H new ATOM 0 HG23 THR A 229 -4.802 2.788 4.059 1.00 0.00 H new ATOM 952 N TYR A 230 -4.982 2.557 -0.964 1.00 0.00 N ATOM 953 CA TYR A 230 -4.801 2.946 -2.387 1.00 0.00 C ATOM 954 C TYR A 230 -4.557 4.451 -2.496 1.00 0.00 C ATOM 955 O TYR A 230 -3.847 4.915 -3.366 1.00 0.00 O ATOM 956 CB TYR A 230 -6.111 2.565 -3.079 1.00 0.00 C ATOM 957 CG TYR A 230 -5.960 1.229 -3.763 1.00 0.00 C ATOM 958 CD1 TYR A 230 -4.886 1.003 -4.632 1.00 0.00 C ATOM 959 CD2 TYR A 230 -6.897 0.216 -3.528 1.00 0.00 C ATOM 960 CE1 TYR A 230 -4.751 -0.238 -5.267 1.00 0.00 C ATOM 961 CE2 TYR A 230 -6.762 -1.024 -4.163 1.00 0.00 C ATOM 962 CZ TYR A 230 -5.689 -1.251 -5.033 1.00 0.00 C ATOM 963 OH TYR A 230 -5.557 -2.474 -5.660 1.00 0.00 O ATOM 0 H TYR A 230 -5.772 1.941 -0.771 1.00 0.00 H new ATOM 0 HA TYR A 230 -3.944 2.450 -2.841 1.00 0.00 H new ATOM 0 HB2 TYR A 230 -6.919 2.520 -2.349 1.00 0.00 H new ATOM 0 HB3 TYR A 230 -6.383 3.328 -3.808 1.00 0.00 H new ATOM 0 HD1 TYR A 230 -4.163 1.784 -4.812 1.00 0.00 H new ATOM 0 HD2 TYR A 230 -7.724 0.391 -2.856 1.00 0.00 H new ATOM 0 HE1 TYR A 230 -3.923 -0.414 -5.938 1.00 0.00 H new ATOM 0 HE2 TYR A 230 -7.485 -1.805 -3.982 1.00 0.00 H new ATOM 0 HH TYR A 230 -5.452 -2.337 -6.625 1.00 0.00 H new ATOM 973 N GLU A 231 -5.138 5.219 -1.617 1.00 0.00 N ATOM 974 CA GLU A 231 -4.934 6.695 -1.670 1.00 0.00 C ATOM 975 C GLU A 231 -3.478 7.031 -1.335 1.00 0.00 C ATOM 976 O GLU A 231 -3.045 8.160 -1.460 1.00 0.00 O ATOM 977 CB GLU A 231 -5.879 7.268 -0.612 1.00 0.00 C ATOM 978 CG GLU A 231 -6.874 8.224 -1.274 1.00 0.00 C ATOM 979 CD GLU A 231 -8.132 8.335 -0.410 1.00 0.00 C ATOM 980 OE1 GLU A 231 -9.009 7.501 -0.566 1.00 0.00 O ATOM 981 OE2 GLU A 231 -8.199 9.252 0.392 1.00 0.00 O ATOM 0 H GLU A 231 -5.744 4.890 -0.865 1.00 0.00 H new ATOM 0 HA GLU A 231 -5.139 7.108 -2.657 1.00 0.00 H new ATOM 0 HB2 GLU A 231 -6.413 6.460 -0.112 1.00 0.00 H new ATOM 0 HB3 GLU A 231 -5.308 7.794 0.153 1.00 0.00 H new ATOM 0 HG2 GLU A 231 -6.420 9.207 -1.401 1.00 0.00 H new ATOM 0 HG3 GLU A 231 -7.135 7.862 -2.269 1.00 0.00 H new ATOM 988 N SER A 232 -2.719 6.059 -0.903 1.00 0.00 N ATOM 989 CA SER A 232 -1.291 6.324 -0.553 1.00 0.00 C ATOM 990 C SER A 232 -0.365 5.297 -1.221 1.00 0.00 C ATOM 991 O SER A 232 0.817 5.528 -1.381 1.00 0.00 O ATOM 992 CB SER A 232 -1.231 6.188 0.966 1.00 0.00 C ATOM 993 OG SER A 232 -1.308 7.479 1.557 1.00 0.00 O ATOM 0 H SER A 232 -3.025 5.094 -0.777 1.00 0.00 H new ATOM 0 HA SER A 232 -0.962 7.305 -0.895 1.00 0.00 H new ATOM 0 HB2 SER A 232 -2.052 5.564 1.319 1.00 0.00 H new ATOM 0 HB3 SER A 232 -0.305 5.695 1.262 1.00 0.00 H new ATOM 0 HG SER A 232 -1.271 7.395 2.533 1.00 0.00 H new ATOM 999 N ILE A 233 -0.891 4.167 -1.611 1.00 0.00 N ATOM 1000 CA ILE A 233 -0.037 3.129 -2.267 1.00 0.00 C ATOM 1001 C ILE A 233 -0.491 2.934 -3.720 1.00 0.00 C ATOM 1002 O ILE A 233 -0.024 2.053 -4.415 1.00 0.00 O ATOM 1003 CB ILE A 233 -0.208 1.829 -1.428 1.00 0.00 C ATOM 1004 CG1 ILE A 233 -0.414 0.612 -2.340 1.00 0.00 C ATOM 1005 CG2 ILE A 233 -1.404 1.937 -0.476 1.00 0.00 C ATOM 1006 CD1 ILE A 233 -0.745 -0.615 -1.491 1.00 0.00 C ATOM 0 H ILE A 233 -1.874 3.916 -1.505 1.00 0.00 H new ATOM 0 HA ILE A 233 1.014 3.418 -2.300 1.00 0.00 H new ATOM 0 HB ILE A 233 0.705 1.701 -0.847 1.00 0.00 H new ATOM 0 HG12 ILE A 233 -1.221 0.807 -3.046 1.00 0.00 H new ATOM 0 HG13 ILE A 233 0.486 0.428 -2.927 1.00 0.00 H new ATOM 0 HG21 ILE A 233 -1.498 1.014 0.096 1.00 0.00 H new ATOM 0 HG22 ILE A 233 -1.252 2.773 0.206 1.00 0.00 H new ATOM 0 HG23 ILE A 233 -2.314 2.101 -1.053 1.00 0.00 H new ATOM 0 HD11 ILE A 233 -0.891 -1.478 -2.140 1.00 0.00 H new ATOM 0 HD12 ILE A 233 0.077 -0.814 -0.803 1.00 0.00 H new ATOM 0 HD13 ILE A 233 -1.657 -0.430 -0.924 1.00 0.00 H new ATOM 1018 N GLY A 234 -1.399 3.746 -4.181 1.00 0.00 N ATOM 1019 CA GLY A 234 -1.884 3.599 -5.581 1.00 0.00 C ATOM 1020 C GLY A 234 -1.017 4.431 -6.528 1.00 0.00 C ATOM 1021 O GLY A 234 -1.515 5.259 -7.264 1.00 0.00 O ATOM 0 H GLY A 234 -1.826 4.505 -3.650 1.00 0.00 H new ATOM 0 HA2 GLY A 234 -1.855 2.550 -5.876 1.00 0.00 H new ATOM 0 HA3 GLY A 234 -2.923 3.921 -5.650 1.00 0.00 H new ATOM 1025 N GLN A 235 0.274 4.219 -6.528 1.00 0.00 N ATOM 1026 CA GLN A 235 1.146 5.007 -7.446 1.00 0.00 C ATOM 1027 C GLN A 235 2.617 4.596 -7.302 1.00 0.00 C ATOM 1028 O GLN A 235 3.510 5.410 -7.427 1.00 0.00 O ATOM 1029 CB GLN A 235 0.959 6.462 -7.011 1.00 0.00 C ATOM 1030 CG GLN A 235 1.268 6.589 -5.517 1.00 0.00 C ATOM 1031 CD GLN A 235 1.726 8.016 -5.208 1.00 0.00 C ATOM 1032 OE1 GLN A 235 1.099 8.714 -4.437 1.00 0.00 O ATOM 1033 NE2 GLN A 235 2.802 8.480 -5.782 1.00 0.00 N ATOM 0 H GLN A 235 0.757 3.541 -5.938 1.00 0.00 H new ATOM 0 HA GLN A 235 0.881 4.844 -8.491 1.00 0.00 H new ATOM 0 HB2 GLN A 235 1.617 7.113 -7.587 1.00 0.00 H new ATOM 0 HB3 GLN A 235 -0.063 6.785 -7.211 1.00 0.00 H new ATOM 0 HG2 GLN A 235 0.383 6.345 -4.930 1.00 0.00 H new ATOM 0 HG3 GLN A 235 2.044 5.878 -5.234 1.00 0.00 H new ATOM 0 HE21 GLN A 235 3.328 7.893 -6.429 1.00 0.00 H new ATOM 0 HE22 GLN A 235 3.117 9.430 -5.583 1.00 0.00 H new ATOM 1042 N VAL A 236 2.878 3.345 -7.048 1.00 0.00 N ATOM 1043 CA VAL A 236 4.294 2.891 -6.905 1.00 0.00 C ATOM 1044 C VAL A 236 4.375 1.383 -7.130 1.00 0.00 C ATOM 1045 O VAL A 236 4.997 0.664 -6.373 1.00 0.00 O ATOM 1046 CB VAL A 236 4.681 3.237 -5.466 1.00 0.00 C ATOM 1047 CG1 VAL A 236 4.836 4.752 -5.326 1.00 0.00 C ATOM 1048 CG2 VAL A 236 3.587 2.747 -4.513 1.00 0.00 C ATOM 0 H VAL A 236 2.175 2.615 -6.933 1.00 0.00 H new ATOM 0 HA VAL A 236 4.959 3.365 -7.627 1.00 0.00 H new ATOM 0 HB VAL A 236 5.625 2.752 -5.219 1.00 0.00 H new ATOM 0 HG11 VAL A 236 5.112 4.996 -4.300 1.00 0.00 H new ATOM 0 HG12 VAL A 236 5.614 5.102 -6.004 1.00 0.00 H new ATOM 0 HG13 VAL A 236 3.893 5.239 -5.574 1.00 0.00 H new ATOM 0 HG21 VAL A 236 3.861 2.993 -3.487 1.00 0.00 H new ATOM 0 HG22 VAL A 236 2.643 3.232 -4.762 1.00 0.00 H new ATOM 0 HG23 VAL A 236 3.477 1.667 -4.610 1.00 0.00 H new ATOM 1058 N ARG A 237 3.727 0.893 -8.154 1.00 0.00 N ATOM 1059 CA ARG A 237 3.736 -0.576 -8.420 1.00 0.00 C ATOM 1060 C ARG A 237 2.878 -1.292 -7.370 1.00 0.00 C ATOM 1061 O ARG A 237 2.723 -2.502 -7.388 1.00 0.00 O ATOM 1062 CB ARG A 237 5.202 -1.006 -8.309 1.00 0.00 C ATOM 1063 CG ARG A 237 5.475 -2.144 -9.295 1.00 0.00 C ATOM 1064 CD ARG A 237 5.849 -1.561 -10.660 1.00 0.00 C ATOM 1065 NE ARG A 237 4.571 -1.519 -11.426 1.00 0.00 N ATOM 1066 CZ ARG A 237 4.428 -0.673 -12.410 1.00 0.00 C ATOM 1067 NH1 ARG A 237 4.360 0.607 -12.167 1.00 0.00 N ATOM 1068 NH2 ARG A 237 4.352 -1.107 -13.638 1.00 0.00 N ATOM 0 H ARG A 237 3.190 1.449 -8.820 1.00 0.00 H new ATOM 0 HA ARG A 237 3.326 -0.823 -9.399 1.00 0.00 H new ATOM 0 HB2 ARG A 237 5.857 -0.161 -8.522 1.00 0.00 H new ATOM 0 HB3 ARG A 237 5.421 -1.331 -7.292 1.00 0.00 H new ATOM 0 HG2 ARG A 237 6.283 -2.775 -8.924 1.00 0.00 H new ATOM 0 HG3 ARG A 237 4.593 -2.778 -9.388 1.00 0.00 H new ATOM 0 HD2 ARG A 237 6.281 -0.565 -10.559 1.00 0.00 H new ATOM 0 HD3 ARG A 237 6.591 -2.181 -11.164 1.00 0.00 H new ATOM 0 HE ARG A 237 3.809 -2.151 -11.182 1.00 0.00 H new ATOM 0 HH11 ARG A 237 4.419 0.948 -11.207 1.00 0.00 H new ATOM 0 HH12 ARG A 237 4.248 1.267 -12.937 1.00 0.00 H new ATOM 0 HH21 ARG A 237 4.404 -2.108 -13.829 1.00 0.00 H new ATOM 0 HH22 ARG A 237 4.240 -0.446 -14.407 1.00 0.00 H new ATOM 1082 N GLY A 238 2.308 -0.545 -6.457 1.00 0.00 N ATOM 1083 CA GLY A 238 1.459 -1.166 -5.414 1.00 0.00 C ATOM 1084 C GLY A 238 0.207 -1.729 -6.066 1.00 0.00 C ATOM 1085 O GLY A 238 -0.057 -2.908 -6.007 1.00 0.00 O ATOM 0 H GLY A 238 2.399 0.469 -6.395 1.00 0.00 H new ATOM 0 HA2 GLY A 238 2.007 -1.959 -4.905 1.00 0.00 H new ATOM 0 HA3 GLY A 238 1.191 -0.428 -4.658 1.00 0.00 H new ATOM 1089 N LEU A 239 -0.563 -0.893 -6.696 1.00 0.00 N ATOM 1090 CA LEU A 239 -1.799 -1.379 -7.359 1.00 0.00 C ATOM 1091 C LEU A 239 -1.533 -2.691 -8.094 1.00 0.00 C ATOM 1092 O LEU A 239 -2.386 -3.549 -8.168 1.00 0.00 O ATOM 1093 CB LEU A 239 -2.173 -0.272 -8.342 1.00 0.00 C ATOM 1094 CG LEU A 239 -2.315 1.047 -7.589 1.00 0.00 C ATOM 1095 CD1 LEU A 239 -1.231 2.018 -8.060 1.00 0.00 C ATOM 1096 CD2 LEU A 239 -3.696 1.645 -7.869 1.00 0.00 C ATOM 0 H LEU A 239 -0.389 0.109 -6.781 1.00 0.00 H new ATOM 0 HA LEU A 239 -2.599 -1.582 -6.647 1.00 0.00 H new ATOM 0 HB2 LEU A 239 -1.409 -0.182 -9.114 1.00 0.00 H new ATOM 0 HB3 LEU A 239 -3.108 -0.518 -8.846 1.00 0.00 H new ATOM 0 HG LEU A 239 -2.206 0.872 -6.519 1.00 0.00 H new ATOM 0 HD11 LEU A 239 -1.330 2.962 -7.524 1.00 0.00 H new ATOM 0 HD12 LEU A 239 -0.248 1.590 -7.863 1.00 0.00 H new ATOM 0 HD13 LEU A 239 -1.341 2.195 -9.130 1.00 0.00 H new ATOM 0 HD21 LEU A 239 -3.800 2.588 -7.332 1.00 0.00 H new ATOM 0 HD22 LEU A 239 -3.805 1.823 -8.939 1.00 0.00 H new ATOM 0 HD23 LEU A 239 -4.467 0.951 -7.536 1.00 0.00 H new ATOM 1108 N LYS A 240 -0.358 -2.862 -8.632 1.00 0.00 N ATOM 1109 CA LYS A 240 -0.060 -4.133 -9.350 1.00 0.00 C ATOM 1110 C LYS A 240 -0.051 -5.292 -8.357 1.00 0.00 C ATOM 1111 O LYS A 240 -0.840 -6.210 -8.459 1.00 0.00 O ATOM 1112 CB LYS A 240 1.325 -3.939 -9.960 1.00 0.00 C ATOM 1113 CG LYS A 240 1.649 -5.117 -10.881 1.00 0.00 C ATOM 1114 CD LYS A 240 2.581 -6.090 -10.157 1.00 0.00 C ATOM 1115 CE LYS A 240 2.806 -7.331 -11.025 1.00 0.00 C ATOM 1116 NZ LYS A 240 3.713 -8.201 -10.226 1.00 0.00 N ATOM 0 H LYS A 240 0.403 -2.183 -8.607 1.00 0.00 H new ATOM 0 HA LYS A 240 -0.803 -4.363 -10.113 1.00 0.00 H new ATOM 0 HB2 LYS A 240 1.359 -3.005 -10.521 1.00 0.00 H new ATOM 0 HB3 LYS A 240 2.074 -3.864 -9.171 1.00 0.00 H new ATOM 0 HG2 LYS A 240 0.731 -5.626 -11.174 1.00 0.00 H new ATOM 0 HG3 LYS A 240 2.120 -4.758 -11.796 1.00 0.00 H new ATOM 0 HD2 LYS A 240 3.534 -5.606 -9.944 1.00 0.00 H new ATOM 0 HD3 LYS A 240 2.149 -6.378 -9.199 1.00 0.00 H new ATOM 0 HE2 LYS A 240 1.865 -7.836 -11.243 1.00 0.00 H new ATOM 0 HE3 LYS A 240 3.255 -7.067 -11.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 240 3.914 -9.073 -10.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 240 4.603 -7.696 -10.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 240 3.257 -8.442 -9.323 1.00 0.00 H new ATOM 1130 N ARG A 241 0.819 -5.255 -7.383 1.00 0.00 N ATOM 1131 CA ARG A 241 0.837 -6.365 -6.386 1.00 0.00 C ATOM 1132 C ARG A 241 -0.418 -6.265 -5.519 1.00 0.00 C ATOM 1133 O ARG A 241 -0.922 -7.249 -5.014 1.00 0.00 O ATOM 1134 CB ARG A 241 2.097 -6.155 -5.546 1.00 0.00 C ATOM 1135 CG ARG A 241 3.294 -5.901 -6.467 1.00 0.00 C ATOM 1136 CD ARG A 241 4.542 -6.566 -5.879 1.00 0.00 C ATOM 1137 NE ARG A 241 5.535 -6.571 -6.990 1.00 0.00 N ATOM 1138 CZ ARG A 241 6.364 -7.572 -7.123 1.00 0.00 C ATOM 1139 NH1 ARG A 241 5.974 -8.667 -7.715 1.00 0.00 N ATOM 1140 NH2 ARG A 241 7.583 -7.477 -6.669 1.00 0.00 N ATOM 0 H ARG A 241 1.508 -4.517 -7.235 1.00 0.00 H new ATOM 0 HA ARG A 241 0.846 -7.350 -6.853 1.00 0.00 H new ATOM 0 HB2 ARG A 241 1.959 -5.310 -4.871 1.00 0.00 H new ATOM 0 HB3 ARG A 241 2.283 -7.032 -4.926 1.00 0.00 H new ATOM 0 HG2 ARG A 241 3.092 -6.298 -7.462 1.00 0.00 H new ATOM 0 HG3 ARG A 241 3.459 -4.829 -6.579 1.00 0.00 H new ATOM 0 HD2 ARG A 241 4.916 -6.012 -5.018 1.00 0.00 H new ATOM 0 HD3 ARG A 241 4.326 -7.578 -5.538 1.00 0.00 H new ATOM 0 HE ARG A 241 5.568 -5.792 -7.648 1.00 0.00 H new ATOM 0 HH11 ARG A 241 5.022 -8.741 -8.074 1.00 0.00 H new ATOM 0 HH12 ARG A 241 6.621 -9.449 -7.819 1.00 0.00 H new ATOM 0 HH21 ARG A 241 7.891 -6.620 -6.209 1.00 0.00 H new ATOM 0 HH22 ARG A 241 8.229 -8.260 -6.774 1.00 0.00 H new ATOM 1154 N LEU A 242 -0.940 -5.077 -5.374 1.00 0.00 N ATOM 1155 CA LEU A 242 -2.178 -4.890 -4.574 1.00 0.00 C ATOM 1156 C LEU A 242 -3.351 -5.434 -5.379 1.00 0.00 C ATOM 1157 O LEU A 242 -4.299 -5.971 -4.841 1.00 0.00 O ATOM 1158 CB LEU A 242 -2.297 -3.376 -4.398 1.00 0.00 C ATOM 1159 CG LEU A 242 -3.071 -3.057 -3.120 1.00 0.00 C ATOM 1160 CD1 LEU A 242 -4.369 -3.862 -3.097 1.00 0.00 C ATOM 1161 CD2 LEU A 242 -2.218 -3.420 -1.901 1.00 0.00 C ATOM 0 H LEU A 242 -0.557 -4.223 -5.780 1.00 0.00 H new ATOM 0 HA LEU A 242 -2.163 -5.403 -3.612 1.00 0.00 H new ATOM 0 HB2 LEU A 242 -1.304 -2.928 -4.353 1.00 0.00 H new ATOM 0 HB3 LEU A 242 -2.805 -2.940 -5.259 1.00 0.00 H new ATOM 0 HG LEU A 242 -3.305 -1.993 -3.092 1.00 0.00 H new ATOM 0 HD11 LEU A 242 -4.922 -3.635 -2.185 1.00 0.00 H new ATOM 0 HD12 LEU A 242 -4.975 -3.600 -3.964 1.00 0.00 H new ATOM 0 HD13 LEU A 242 -4.137 -4.927 -3.125 1.00 0.00 H new ATOM 0 HD21 LEU A 242 -2.771 -3.192 -0.989 1.00 0.00 H new ATOM 0 HD22 LEU A 242 -1.982 -4.484 -1.926 1.00 0.00 H new ATOM 0 HD23 LEU A 242 -1.294 -2.843 -1.919 1.00 0.00 H new ATOM 1173 N ASP A 243 -3.274 -5.315 -6.675 1.00 0.00 N ATOM 1174 CA ASP A 243 -4.367 -5.847 -7.536 1.00 0.00 C ATOM 1175 C ASP A 243 -4.372 -7.368 -7.441 1.00 0.00 C ATOM 1176 O ASP A 243 -5.394 -7.987 -7.224 1.00 0.00 O ATOM 1177 CB ASP A 243 -4.027 -5.404 -8.960 1.00 0.00 C ATOM 1178 CG ASP A 243 -4.663 -4.042 -9.241 1.00 0.00 C ATOM 1179 OD1 ASP A 243 -5.264 -3.493 -8.333 1.00 0.00 O ATOM 1180 OD2 ASP A 243 -4.537 -3.572 -10.360 1.00 0.00 O ATOM 0 H ASP A 243 -2.503 -4.873 -7.175 1.00 0.00 H new ATOM 0 HA ASP A 243 -5.350 -5.484 -7.236 1.00 0.00 H new ATOM 0 HB2 ASP A 243 -2.946 -5.344 -9.084 1.00 0.00 H new ATOM 0 HB3 ASP A 243 -4.390 -6.141 -9.677 1.00 0.00 H new ATOM 1185 N ASN A 244 -3.226 -7.975 -7.589 1.00 0.00 N ATOM 1186 CA ASN A 244 -3.158 -9.459 -7.491 1.00 0.00 C ATOM 1187 C ASN A 244 -3.444 -9.888 -6.051 1.00 0.00 C ATOM 1188 O ASN A 244 -3.787 -11.023 -5.788 1.00 0.00 O ATOM 1189 CB ASN A 244 -1.728 -9.821 -7.891 1.00 0.00 C ATOM 1190 CG ASN A 244 -1.663 -10.043 -9.403 1.00 0.00 C ATOM 1191 OD1 ASN A 244 -2.639 -9.852 -10.099 1.00 0.00 O ATOM 1192 ND2 ASN A 244 -0.543 -10.442 -9.943 1.00 0.00 N ATOM 0 H ASN A 244 -2.338 -7.509 -7.773 1.00 0.00 H new ATOM 0 HA ASN A 244 -3.888 -9.957 -8.129 1.00 0.00 H new ATOM 0 HB2 ASN A 244 -1.044 -9.023 -7.600 1.00 0.00 H new ATOM 0 HB3 ASN A 244 -1.409 -10.722 -7.366 1.00 0.00 H new ATOM 0 HD21 ASN A 244 -0.488 -10.593 -10.950 1.00 0.00 H new ATOM 0 HD22 ASN A 244 0.277 -10.602 -9.358 1.00 0.00 H new ATOM 1199 N TYR A 245 -3.324 -8.985 -5.113 1.00 0.00 N ATOM 1200 CA TYR A 245 -3.615 -9.348 -3.704 1.00 0.00 C ATOM 1201 C TYR A 245 -5.123 -9.302 -3.489 1.00 0.00 C ATOM 1202 O TYR A 245 -5.700 -10.140 -2.825 1.00 0.00 O ATOM 1203 CB TYR A 245 -2.925 -8.285 -2.854 1.00 0.00 C ATOM 1204 CG TYR A 245 -3.400 -8.417 -1.429 1.00 0.00 C ATOM 1205 CD1 TYR A 245 -4.562 -7.756 -1.010 1.00 0.00 C ATOM 1206 CD2 TYR A 245 -2.682 -9.210 -0.528 1.00 0.00 C ATOM 1207 CE1 TYR A 245 -5.006 -7.891 0.312 1.00 0.00 C ATOM 1208 CE2 TYR A 245 -3.124 -9.343 0.791 1.00 0.00 C ATOM 1209 CZ TYR A 245 -4.283 -8.686 1.212 1.00 0.00 C ATOM 1210 OH TYR A 245 -4.711 -8.824 2.513 1.00 0.00 O ATOM 0 H TYR A 245 -3.038 -8.018 -5.265 1.00 0.00 H new ATOM 0 HA TYR A 245 -3.264 -10.347 -3.445 1.00 0.00 H new ATOM 0 HB2 TYR A 245 -1.843 -8.406 -2.904 1.00 0.00 H new ATOM 0 HB3 TYR A 245 -3.152 -7.290 -3.237 1.00 0.00 H new ATOM 0 HD1 TYR A 245 -5.115 -7.143 -1.706 1.00 0.00 H new ATOM 0 HD2 TYR A 245 -1.786 -9.719 -0.852 1.00 0.00 H new ATOM 0 HE1 TYR A 245 -5.903 -7.384 0.637 1.00 0.00 H new ATOM 0 HE2 TYR A 245 -2.569 -9.955 1.486 1.00 0.00 H new ATOM 0 HH TYR A 245 -5.674 -8.650 2.561 1.00 0.00 H new ATOM 1220 N CYS A 246 -5.766 -8.325 -4.065 1.00 0.00 N ATOM 1221 CA CYS A 246 -7.236 -8.212 -3.920 1.00 0.00 C ATOM 1222 C CYS A 246 -7.906 -9.375 -4.646 1.00 0.00 C ATOM 1223 O CYS A 246 -8.953 -9.845 -4.256 1.00 0.00 O ATOM 1224 CB CYS A 246 -7.599 -6.879 -4.578 1.00 0.00 C ATOM 1225 SG CYS A 246 -7.507 -5.554 -3.349 1.00 0.00 S ATOM 0 H CYS A 246 -5.330 -7.598 -4.632 1.00 0.00 H new ATOM 0 HA CYS A 246 -7.563 -8.246 -2.881 1.00 0.00 H new ATOM 0 HB2 CYS A 246 -6.918 -6.672 -5.404 1.00 0.00 H new ATOM 0 HB3 CYS A 246 -8.603 -6.930 -4.998 1.00 0.00 H new ATOM 0 HG CYS A 246 -6.820 -5.961 -2.323 1.00 0.00 H new ATOM 1231 N LYS A 247 -7.302 -9.846 -5.699 1.00 0.00 N ATOM 1232 CA LYS A 247 -7.896 -10.982 -6.452 1.00 0.00 C ATOM 1233 C LYS A 247 -7.519 -12.304 -5.778 1.00 0.00 C ATOM 1234 O LYS A 247 -8.221 -13.290 -5.885 1.00 0.00 O ATOM 1235 CB LYS A 247 -7.292 -10.884 -7.858 1.00 0.00 C ATOM 1236 CG LYS A 247 -5.864 -11.431 -7.850 1.00 0.00 C ATOM 1237 CD LYS A 247 -5.322 -11.466 -9.280 1.00 0.00 C ATOM 1238 CE LYS A 247 -6.058 -12.544 -10.079 1.00 0.00 C ATOM 1239 NZ LYS A 247 -5.206 -12.782 -11.277 1.00 0.00 N ATOM 0 H LYS A 247 -6.421 -9.492 -6.071 1.00 0.00 H new ATOM 0 HA LYS A 247 -8.985 -10.945 -6.483 1.00 0.00 H new ATOM 0 HB2 LYS A 247 -7.902 -11.446 -8.565 1.00 0.00 H new ATOM 0 HB3 LYS A 247 -7.291 -9.846 -8.192 1.00 0.00 H new ATOM 0 HG2 LYS A 247 -5.227 -10.806 -7.224 1.00 0.00 H new ATOM 0 HG3 LYS A 247 -5.849 -12.432 -7.420 1.00 0.00 H new ATOM 0 HD2 LYS A 247 -5.454 -10.493 -9.754 1.00 0.00 H new ATOM 0 HD3 LYS A 247 -4.252 -11.673 -9.270 1.00 0.00 H new ATOM 0 HE2 LYS A 247 -6.180 -13.455 -9.494 1.00 0.00 H new ATOM 0 HE3 LYS A 247 -7.056 -12.212 -10.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 247 -5.645 -13.510 -11.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 247 -5.113 -11.899 -11.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 247 -4.264 -13.103 -10.975 1.00 0.00 H new ATOM 1253 N GLN A 248 -6.423 -12.323 -5.073 1.00 0.00 N ATOM 1254 CA GLN A 248 -6.009 -13.572 -4.377 1.00 0.00 C ATOM 1255 C GLN A 248 -6.568 -13.571 -2.956 1.00 0.00 C ATOM 1256 O GLN A 248 -6.400 -14.515 -2.210 1.00 0.00 O ATOM 1257 CB GLN A 248 -4.479 -13.528 -4.350 1.00 0.00 C ATOM 1258 CG GLN A 248 -3.926 -14.956 -4.330 1.00 0.00 C ATOM 1259 CD GLN A 248 -3.513 -15.367 -5.744 1.00 0.00 C ATOM 1260 OE1 GLN A 248 -3.041 -14.554 -6.513 1.00 0.00 O ATOM 1261 NE2 GLN A 248 -3.671 -16.607 -6.122 1.00 0.00 N ATOM 0 H GLN A 248 -5.796 -11.528 -4.949 1.00 0.00 H new ATOM 0 HA GLN A 248 -6.376 -14.470 -4.874 1.00 0.00 H new ATOM 0 HB2 GLN A 248 -4.105 -12.994 -5.224 1.00 0.00 H new ATOM 0 HB3 GLN A 248 -4.136 -12.982 -3.471 1.00 0.00 H new ATOM 0 HG2 GLN A 248 -3.069 -15.016 -3.659 1.00 0.00 H new ATOM 0 HG3 GLN A 248 -4.680 -15.643 -3.946 1.00 0.00 H new ATOM 0 HE21 GLN A 248 -4.067 -17.290 -5.477 1.00 0.00 H new ATOM 0 HE22 GLN A 248 -3.398 -16.892 -7.063 1.00 0.00 H new ATOM 1270 N PHE A 249 -7.228 -12.511 -2.570 1.00 0.00 N ATOM 1271 CA PHE A 249 -7.787 -12.450 -1.191 1.00 0.00 C ATOM 1272 C PHE A 249 -9.154 -11.751 -1.163 1.00 0.00 C ATOM 1273 O PHE A 249 -9.912 -11.912 -0.228 1.00 0.00 O ATOM 1274 CB PHE A 249 -6.763 -11.646 -0.391 1.00 0.00 C ATOM 1275 CG PHE A 249 -5.449 -12.388 -0.367 1.00 0.00 C ATOM 1276 CD1 PHE A 249 -5.378 -13.663 0.205 1.00 0.00 C ATOM 1277 CD2 PHE A 249 -4.303 -11.804 -0.921 1.00 0.00 C ATOM 1278 CE1 PHE A 249 -4.162 -14.354 0.226 1.00 0.00 C ATOM 1279 CE2 PHE A 249 -3.086 -12.496 -0.901 1.00 0.00 C ATOM 1280 CZ PHE A 249 -3.015 -13.771 -0.327 1.00 0.00 C ATOM 0 H PHE A 249 -7.403 -11.689 -3.148 1.00 0.00 H new ATOM 0 HA PHE A 249 -7.952 -13.447 -0.783 1.00 0.00 H new ATOM 0 HB2 PHE A 249 -6.629 -10.661 -0.838 1.00 0.00 H new ATOM 0 HB3 PHE A 249 -7.123 -11.488 0.626 1.00 0.00 H new ATOM 0 HD1 PHE A 249 -6.262 -14.114 0.630 1.00 0.00 H new ATOM 0 HD2 PHE A 249 -4.358 -10.820 -1.363 1.00 0.00 H new ATOM 0 HE1 PHE A 249 -4.108 -15.338 0.669 1.00 0.00 H new ATOM 0 HE2 PHE A 249 -2.202 -12.046 -1.328 1.00 0.00 H new ATOM 0 HZ PHE A 249 -2.076 -14.305 -0.311 1.00 0.00 H new ATOM 1290 N ILE A 250 -9.483 -10.965 -2.158 1.00 0.00 N ATOM 1291 CA ILE A 250 -10.803 -10.270 -2.125 1.00 0.00 C ATOM 1292 C ILE A 250 -11.636 -10.619 -3.363 1.00 0.00 C ATOM 1293 O ILE A 250 -12.839 -10.461 -3.373 1.00 0.00 O ATOM 1294 CB ILE A 250 -10.454 -8.778 -2.090 1.00 0.00 C ATOM 1295 CG1 ILE A 250 -10.147 -8.367 -0.651 1.00 0.00 C ATOM 1296 CG2 ILE A 250 -11.629 -7.945 -2.597 1.00 0.00 C ATOM 1297 CD1 ILE A 250 -8.765 -7.718 -0.594 1.00 0.00 C ATOM 0 H ILE A 250 -8.905 -10.778 -2.977 1.00 0.00 H new ATOM 0 HA ILE A 250 -11.407 -10.567 -1.268 1.00 0.00 H new ATOM 0 HB ILE A 250 -9.588 -8.605 -2.729 1.00 0.00 H new ATOM 0 HG12 ILE A 250 -10.904 -7.670 -0.291 1.00 0.00 H new ATOM 0 HG13 ILE A 250 -10.179 -9.239 0.003 1.00 0.00 H new ATOM 0 HG21 ILE A 250 -11.366 -6.888 -2.566 1.00 0.00 H new ATOM 0 HG22 ILE A 250 -11.862 -8.231 -3.623 1.00 0.00 H new ATOM 0 HG23 ILE A 250 -12.499 -8.121 -1.965 1.00 0.00 H new ATOM 0 HD11 ILE A 250 -8.543 -7.424 0.432 1.00 0.00 H new ATOM 0 HD12 ILE A 250 -8.014 -8.430 -0.938 1.00 0.00 H new ATOM 0 HD13 ILE A 250 -8.750 -6.837 -1.236 1.00 0.00 H new ATOM 1309 N ILE A 251 -11.016 -11.089 -4.408 1.00 0.00 N ATOM 1310 CA ILE A 251 -11.792 -11.437 -5.631 1.00 0.00 C ATOM 1311 C ILE A 251 -11.245 -12.728 -6.246 1.00 0.00 C ATOM 1312 O ILE A 251 -10.543 -13.483 -5.603 1.00 0.00 O ATOM 1313 CB ILE A 251 -11.599 -10.257 -6.591 1.00 0.00 C ATOM 1314 CG1 ILE A 251 -11.498 -8.943 -5.805 1.00 0.00 C ATOM 1315 CG2 ILE A 251 -12.794 -10.175 -7.542 1.00 0.00 C ATOM 1316 CD1 ILE A 251 -11.399 -7.769 -6.783 1.00 0.00 C ATOM 0 H ILE A 251 -10.010 -11.247 -4.469 1.00 0.00 H new ATOM 0 HA ILE A 251 -12.847 -11.605 -5.414 1.00 0.00 H new ATOM 0 HB ILE A 251 -10.679 -10.410 -7.156 1.00 0.00 H new ATOM 0 HG12 ILE A 251 -12.371 -8.823 -5.163 1.00 0.00 H new ATOM 0 HG13 ILE A 251 -10.624 -8.963 -5.154 1.00 0.00 H new ATOM 0 HG21 ILE A 251 -12.658 -9.337 -8.225 1.00 0.00 H new ATOM 0 HG22 ILE A 251 -12.868 -11.100 -8.113 1.00 0.00 H new ATOM 0 HG23 ILE A 251 -13.708 -10.030 -6.966 1.00 0.00 H new ATOM 0 HD11 ILE A 251 -11.327 -6.836 -6.225 1.00 0.00 H new ATOM 0 HD12 ILE A 251 -10.513 -7.888 -7.406 1.00 0.00 H new ATOM 0 HD13 ILE A 251 -12.287 -7.746 -7.415 1.00 0.00 H new