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 230 TYR OH : rot -32:sc= -2.07! USER MOD Set 1.2: A 246 CYS SG : rot 180:sc= -2.33 USER MOD Set 2.1: A 185 HIS : no HD1:sc= -9.03! C(o=-14!,f=-30!) USER MOD Set 2.2: A 245 TYR OH : rot -146:sc= -5.08! USER MOD Single : A 184 ASN : amide:sc= -3.32! C(o=-3.3!,f=-3.1!) USER MOD Single : A 210 ASN : amide:sc= 0 X(o=0,f=-0.2) 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= -1.84 X(o=-1.8,f=-1.7!) USER MOD Single : A 226 THR OG1 : rot -91:sc= 1.47! USER MOD Single : A 229 THR OG1 : rot 180:sc= 0 USER MOD Single : A 232 SER OG : rot 180:sc= 0 USER MOD Single : A 235 GLN : amide:sc= -0.0429 X(o=-0.043,f=-0.28) USER MOD Single : A 240 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 244 ASN : amide:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 247 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 248 GLN : amide:sc= -0.182 K(o=-0.18,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 105 N ILE A 179 5.793 -1.210 -3.926 1.00 0.00 N ATOM 106 CA ILE A 179 5.171 -2.259 -3.070 1.00 0.00 C ATOM 107 C ILE A 179 5.895 -3.597 -3.266 1.00 0.00 C ATOM 108 O ILE A 179 5.998 -4.097 -4.368 1.00 0.00 O ATOM 109 CB ILE A 179 3.700 -2.324 -3.536 1.00 0.00 C ATOM 110 CG1 ILE A 179 2.789 -2.270 -2.317 1.00 0.00 C ATOM 111 CG2 ILE A 179 3.408 -3.618 -4.305 1.00 0.00 C ATOM 112 CD1 ILE A 179 1.329 -2.370 -2.762 1.00 0.00 C ATOM 0 HA ILE A 179 5.238 -2.036 -2.005 1.00 0.00 H new ATOM 0 HB ILE A 179 3.519 -1.478 -4.199 1.00 0.00 H new ATOM 0 HG12 ILE A 179 3.028 -3.086 -1.635 1.00 0.00 H new ATOM 0 HG13 ILE A 179 2.950 -1.341 -1.771 1.00 0.00 H new ATOM 0 HG21 ILE A 179 2.364 -3.628 -4.617 1.00 0.00 H new ATOM 0 HG22 ILE A 179 4.050 -3.671 -5.184 1.00 0.00 H new ATOM 0 HG23 ILE A 179 3.603 -4.476 -3.661 1.00 0.00 H new ATOM 0 HD11 ILE A 179 0.679 -2.331 -1.888 1.00 0.00 H new ATOM 0 HD12 ILE A 179 1.093 -1.539 -3.427 1.00 0.00 H new ATOM 0 HD13 ILE A 179 1.173 -3.311 -3.289 1.00 0.00 H new ATOM 124 N ASP A 180 6.386 -4.189 -2.210 1.00 0.00 N ATOM 125 CA ASP A 180 7.079 -5.496 -2.363 1.00 0.00 C ATOM 126 C ASP A 180 6.070 -6.626 -2.202 1.00 0.00 C ATOM 127 O ASP A 180 6.044 -7.563 -2.975 1.00 0.00 O ATOM 128 CB ASP A 180 8.123 -5.542 -1.246 1.00 0.00 C ATOM 129 CG ASP A 180 9.326 -6.367 -1.708 1.00 0.00 C ATOM 130 OD1 ASP A 180 9.143 -7.217 -2.564 1.00 0.00 O ATOM 131 OD2 ASP A 180 10.409 -6.137 -1.197 1.00 0.00 O ATOM 0 H ASP A 180 6.337 -3.827 -1.258 1.00 0.00 H new ATOM 0 HA ASP A 180 7.544 -5.608 -3.342 1.00 0.00 H new ATOM 0 HB2 ASP A 180 8.439 -4.532 -0.987 1.00 0.00 H new ATOM 0 HB3 ASP A 180 7.691 -5.981 -0.347 1.00 0.00 H new ATOM 136 N ILE A 181 5.236 -6.545 -1.203 1.00 0.00 N ATOM 137 CA ILE A 181 4.232 -7.620 -0.991 1.00 0.00 C ATOM 138 C ILE A 181 3.073 -7.124 -0.118 1.00 0.00 C ATOM 139 O ILE A 181 3.267 -6.425 0.856 1.00 0.00 O ATOM 140 CB ILE A 181 4.999 -8.715 -0.252 1.00 0.00 C ATOM 141 CG1 ILE A 181 5.906 -9.470 -1.224 1.00 0.00 C ATOM 142 CG2 ILE A 181 4.013 -9.696 0.388 1.00 0.00 C ATOM 143 CD1 ILE A 181 6.448 -10.722 -0.534 1.00 0.00 C ATOM 0 H ILE A 181 5.207 -5.782 -0.527 1.00 0.00 H new ATOM 0 HA ILE A 181 3.797 -7.961 -1.930 1.00 0.00 H new ATOM 0 HB ILE A 181 5.610 -8.253 0.523 1.00 0.00 H new ATOM 0 HG12 ILE A 181 5.350 -9.746 -2.120 1.00 0.00 H new ATOM 0 HG13 ILE A 181 6.729 -8.831 -1.544 1.00 0.00 H new ATOM 0 HG21 ILE A 181 4.565 -10.475 0.914 1.00 0.00 H new ATOM 0 HG22 ILE A 181 3.376 -9.163 1.094 1.00 0.00 H new ATOM 0 HG23 ILE A 181 3.395 -10.149 -0.388 1.00 0.00 H new ATOM 0 HD11 ILE A 181 7.096 -11.265 -1.222 1.00 0.00 H new ATOM 0 HD12 ILE A 181 7.018 -10.433 0.349 1.00 0.00 H new ATOM 0 HD13 ILE A 181 5.617 -11.362 -0.236 1.00 0.00 H new ATOM 155 N VAL A 182 1.877 -7.515 -0.445 1.00 0.00 N ATOM 156 CA VAL A 182 0.703 -7.111 0.375 1.00 0.00 C ATOM 157 C VAL A 182 0.511 -8.149 1.484 1.00 0.00 C ATOM 158 O VAL A 182 -0.096 -9.183 1.287 1.00 0.00 O ATOM 159 CB VAL A 182 -0.477 -7.112 -0.598 1.00 0.00 C ATOM 160 CG1 VAL A 182 -1.697 -6.476 0.072 1.00 0.00 C ATOM 161 CG2 VAL A 182 -0.095 -6.304 -1.840 1.00 0.00 C ATOM 0 H VAL A 182 1.659 -8.101 -1.251 1.00 0.00 H new ATOM 0 HA VAL A 182 0.814 -6.136 0.850 1.00 0.00 H new ATOM 0 HB VAL A 182 -0.720 -8.136 -0.882 1.00 0.00 H new ATOM 0 HG11 VAL A 182 -2.536 -6.478 -0.623 1.00 0.00 H new ATOM 0 HG12 VAL A 182 -1.962 -7.047 0.962 1.00 0.00 H new ATOM 0 HG13 VAL A 182 -1.463 -5.450 0.355 1.00 0.00 H new ATOM 0 HG21 VAL A 182 -0.930 -6.298 -2.541 1.00 0.00 H new ATOM 0 HG22 VAL A 182 0.142 -5.281 -1.549 1.00 0.00 H new ATOM 0 HG23 VAL A 182 0.775 -6.757 -2.315 1.00 0.00 H new ATOM 171 N ILE A 183 1.057 -7.892 2.640 1.00 0.00 N ATOM 172 CA ILE A 183 0.948 -8.873 3.761 1.00 0.00 C ATOM 173 C ILE A 183 -0.517 -9.184 4.085 1.00 0.00 C ATOM 174 O ILE A 183 -0.871 -10.311 4.365 1.00 0.00 O ATOM 175 CB ILE A 183 1.618 -8.190 4.957 1.00 0.00 C ATOM 176 CG1 ILE A 183 3.068 -7.847 4.613 1.00 0.00 C ATOM 177 CG2 ILE A 183 1.600 -9.131 6.159 1.00 0.00 C ATOM 178 CD1 ILE A 183 3.867 -9.137 4.421 1.00 0.00 C ATOM 0 H ILE A 183 1.576 -7.042 2.859 1.00 0.00 H new ATOM 0 HA ILE A 183 1.418 -9.823 3.506 1.00 0.00 H new ATOM 0 HB ILE A 183 1.074 -7.276 5.195 1.00 0.00 H new ATOM 0 HG12 ILE A 183 3.105 -7.246 3.705 1.00 0.00 H new ATOM 0 HG13 ILE A 183 3.510 -7.248 5.410 1.00 0.00 H new ATOM 0 HG21 ILE A 183 2.077 -8.644 7.010 1.00 0.00 H new ATOM 0 HG22 ILE A 183 0.569 -9.377 6.413 1.00 0.00 H new ATOM 0 HG23 ILE A 183 2.141 -10.045 5.914 1.00 0.00 H new ATOM 0 HD11 ILE A 183 4.900 -8.892 4.176 1.00 0.00 H new ATOM 0 HD12 ILE A 183 3.841 -9.721 5.341 1.00 0.00 H new ATOM 0 HD13 ILE A 183 3.430 -9.718 3.609 1.00 0.00 H new ATOM 190 N ASN A 184 -1.366 -8.195 4.057 1.00 0.00 N ATOM 191 CA ASN A 184 -2.805 -8.431 4.377 1.00 0.00 C ATOM 192 C ASN A 184 -3.606 -7.148 4.135 1.00 0.00 C ATOM 193 O ASN A 184 -3.113 -6.203 3.552 1.00 0.00 O ATOM 194 CB ASN A 184 -2.828 -8.798 5.861 1.00 0.00 C ATOM 195 CG ASN A 184 -2.821 -10.320 6.019 1.00 0.00 C ATOM 196 OD1 ASN A 184 -2.046 -10.860 6.784 1.00 0.00 O ATOM 197 ND2 ASN A 184 -3.656 -11.041 5.321 1.00 0.00 N ATOM 0 H ASN A 184 -1.127 -7.231 3.826 1.00 0.00 H new ATOM 0 HA ASN A 184 -3.246 -9.213 3.758 1.00 0.00 H new ATOM 0 HB2 ASN A 184 -1.963 -8.367 6.365 1.00 0.00 H new ATOM 0 HB3 ASN A 184 -3.715 -8.378 6.335 1.00 0.00 H new ATOM 0 HD21 ASN A 184 -3.658 -12.056 5.418 1.00 0.00 H new ATOM 0 HD22 ASN A 184 -4.307 -10.589 4.679 1.00 0.00 H new ATOM 204 N HIS A 185 -4.834 -7.101 4.579 1.00 0.00 N ATOM 205 CA HIS A 185 -5.644 -5.867 4.368 1.00 0.00 C ATOM 206 C HIS A 185 -6.943 -5.924 5.181 1.00 0.00 C ATOM 207 O HIS A 185 -7.231 -6.900 5.844 1.00 0.00 O ATOM 208 CB HIS A 185 -5.944 -5.841 2.863 1.00 0.00 C ATOM 209 CG HIS A 185 -7.124 -6.729 2.557 1.00 0.00 C ATOM 210 ND1 HIS A 185 -6.990 -8.087 2.319 1.00 0.00 N ATOM 211 CD2 HIS A 185 -8.465 -6.462 2.451 1.00 0.00 C ATOM 212 CE1 HIS A 185 -8.220 -8.581 2.083 1.00 0.00 C ATOM 213 NE2 HIS A 185 -9.155 -7.631 2.152 1.00 0.00 N ATOM 0 H HIS A 185 -5.307 -7.857 5.074 1.00 0.00 H new ATOM 0 HA HIS A 185 -5.116 -4.971 4.694 1.00 0.00 H new ATOM 0 HB2 HIS A 185 -6.154 -4.820 2.543 1.00 0.00 H new ATOM 0 HB3 HIS A 185 -5.071 -6.177 2.304 1.00 0.00 H new ATOM 0 HD2 HIS A 185 -8.917 -5.490 2.580 1.00 0.00 H new ATOM 0 HE1 HIS A 185 -8.425 -9.619 1.865 1.00 0.00 H new ATOM 0 HE2 HIS A 185 -10.160 -7.740 2.015 1.00 0.00 H new ATOM 221 N ARG A 186 -7.731 -4.882 5.116 1.00 0.00 N ATOM 222 CA ARG A 186 -9.024 -4.850 5.864 1.00 0.00 C ATOM 223 C ARG A 186 -9.569 -3.420 5.895 1.00 0.00 C ATOM 224 O ARG A 186 -8.903 -2.487 5.495 1.00 0.00 O ATOM 225 CB ARG A 186 -8.698 -5.325 7.282 1.00 0.00 C ATOM 226 CG ARG A 186 -7.374 -4.714 7.742 1.00 0.00 C ATOM 227 CD ARG A 186 -7.399 -4.531 9.260 1.00 0.00 C ATOM 228 NE ARG A 186 -6.186 -5.240 9.751 1.00 0.00 N ATOM 229 CZ ARG A 186 -5.708 -4.974 10.936 1.00 0.00 C ATOM 230 NH1 ARG A 186 -6.402 -5.270 12.000 1.00 0.00 N ATOM 231 NH2 ARG A 186 -4.536 -4.412 11.055 1.00 0.00 N ATOM 0 H ARG A 186 -7.532 -4.043 4.571 1.00 0.00 H new ATOM 0 HA ARG A 186 -9.780 -5.481 5.397 1.00 0.00 H new ATOM 0 HB2 ARG A 186 -9.498 -5.038 7.964 1.00 0.00 H new ATOM 0 HB3 ARG A 186 -8.634 -6.413 7.305 1.00 0.00 H new ATOM 0 HG2 ARG A 186 -6.544 -5.360 7.456 1.00 0.00 H new ATOM 0 HG3 ARG A 186 -7.214 -3.754 7.252 1.00 0.00 H new ATOM 0 HD2 ARG A 186 -7.377 -3.476 9.531 1.00 0.00 H new ATOM 0 HD3 ARG A 186 -8.306 -4.952 9.694 1.00 0.00 H new ATOM 0 HE ARG A 186 -5.728 -5.934 9.161 1.00 0.00 H new ATOM 0 HH11 ARG A 186 -7.318 -5.709 11.906 1.00 0.00 H new ATOM 0 HH12 ARG A 186 -6.029 -5.062 12.926 1.00 0.00 H new ATOM 0 HH21 ARG A 186 -3.994 -4.181 10.222 1.00 0.00 H new ATOM 0 HH22 ARG A 186 -4.162 -4.204 11.981 1.00 0.00 H new ATOM 612 N ASN A 210 -12.979 1.493 0.404 1.00 0.00 N ATOM 613 CA ASN A 210 -13.014 1.494 1.896 1.00 0.00 C ATOM 614 C ASN A 210 -12.231 0.304 2.454 1.00 0.00 C ATOM 615 O ASN A 210 -12.782 -0.567 3.098 1.00 0.00 O ATOM 616 CB ASN A 210 -14.495 1.377 2.257 1.00 0.00 C ATOM 617 CG ASN A 210 -15.206 2.692 1.928 1.00 0.00 C ATOM 618 OD1 ASN A 210 -15.461 2.986 0.778 1.00 0.00 O ATOM 619 ND2 ASN A 210 -15.540 3.499 2.897 1.00 0.00 N ATOM 0 HA ASN A 210 -12.559 2.392 2.315 1.00 0.00 H new ATOM 0 HB2 ASN A 210 -14.951 0.556 1.704 1.00 0.00 H new ATOM 0 HB3 ASN A 210 -14.605 1.147 3.317 1.00 0.00 H new ATOM 0 HD21 ASN A 210 -16.015 4.377 2.688 1.00 0.00 H new ATOM 0 HD22 ASN A 210 -15.326 3.252 3.863 1.00 0.00 H new ATOM 626 N TYR A 211 -10.950 0.261 2.216 1.00 0.00 N ATOM 627 CA TYR A 211 -10.136 -0.874 2.738 1.00 0.00 C ATOM 628 C TYR A 211 -8.654 -0.502 2.800 1.00 0.00 C ATOM 629 O TYR A 211 -8.113 0.097 1.893 1.00 0.00 O ATOM 630 CB TYR A 211 -10.340 -2.003 1.734 1.00 0.00 C ATOM 631 CG TYR A 211 -11.299 -3.023 2.299 1.00 0.00 C ATOM 632 CD1 TYR A 211 -10.826 -4.021 3.158 1.00 0.00 C ATOM 633 CD2 TYR A 211 -12.655 -2.973 1.960 1.00 0.00 C ATOM 634 CE1 TYR A 211 -11.711 -4.970 3.681 1.00 0.00 C ATOM 635 CE2 TYR A 211 -13.541 -3.924 2.483 1.00 0.00 C ATOM 636 CZ TYR A 211 -13.070 -4.923 3.344 1.00 0.00 C ATOM 637 OH TYR A 211 -13.943 -5.859 3.859 1.00 0.00 O ATOM 0 H TYR A 211 -10.432 0.960 1.684 1.00 0.00 H new ATOM 0 HA TYR A 211 -10.438 -1.149 3.748 1.00 0.00 H new ATOM 0 HB2 TYR A 211 -10.730 -1.603 0.798 1.00 0.00 H new ATOM 0 HB3 TYR A 211 -9.385 -2.476 1.506 1.00 0.00 H new ATOM 0 HD1 TYR A 211 -9.778 -4.059 3.417 1.00 0.00 H new ATOM 0 HD2 TYR A 211 -13.019 -2.203 1.296 1.00 0.00 H new ATOM 0 HE1 TYR A 211 -11.346 -5.740 4.345 1.00 0.00 H new ATOM 0 HE2 TYR A 211 -14.588 -3.887 2.222 1.00 0.00 H new ATOM 0 HH TYR A 211 -14.847 -5.681 3.525 1.00 0.00 H new ATOM 647 N GLU A 212 -7.987 -0.884 3.853 1.00 0.00 N ATOM 648 CA GLU A 212 -6.533 -0.589 3.967 1.00 0.00 C ATOM 649 C GLU A 212 -5.758 -1.838 3.553 1.00 0.00 C ATOM 650 O GLU A 212 -6.329 -2.895 3.378 1.00 0.00 O ATOM 651 CB GLU A 212 -6.299 -0.275 5.446 1.00 0.00 C ATOM 652 CG GLU A 212 -5.988 1.213 5.616 1.00 0.00 C ATOM 653 CD GLU A 212 -5.885 1.547 7.106 1.00 0.00 C ATOM 654 OE1 GLU A 212 -5.109 0.898 7.788 1.00 0.00 O ATOM 655 OE2 GLU A 212 -6.585 2.448 7.539 1.00 0.00 O ATOM 0 H GLU A 212 -8.389 -1.390 4.642 1.00 0.00 H new ATOM 0 HA GLU A 212 -6.210 0.238 3.335 1.00 0.00 H new ATOM 0 HB2 GLU A 212 -7.182 -0.540 6.028 1.00 0.00 H new ATOM 0 HB3 GLU A 212 -5.473 -0.875 5.828 1.00 0.00 H new ATOM 0 HG2 GLU A 212 -5.054 1.460 5.112 1.00 0.00 H new ATOM 0 HG3 GLU A 212 -6.769 1.814 5.151 1.00 0.00 H new ATOM 662 N PHE A 213 -4.474 -1.741 3.391 1.00 0.00 N ATOM 663 CA PHE A 213 -3.705 -2.948 2.982 1.00 0.00 C ATOM 664 C PHE A 213 -2.320 -2.950 3.626 1.00 0.00 C ATOM 665 O PHE A 213 -1.567 -2.009 3.489 1.00 0.00 O ATOM 666 CB PHE A 213 -3.557 -2.831 1.464 1.00 0.00 C ATOM 667 CG PHE A 213 -4.871 -3.121 0.784 1.00 0.00 C ATOM 668 CD1 PHE A 213 -5.876 -2.149 0.756 1.00 0.00 C ATOM 669 CD2 PHE A 213 -5.076 -4.360 0.164 1.00 0.00 C ATOM 670 CE1 PHE A 213 -7.088 -2.414 0.108 1.00 0.00 C ATOM 671 CE2 PHE A 213 -6.288 -4.626 -0.481 1.00 0.00 C ATOM 672 CZ PHE A 213 -7.294 -3.653 -0.510 1.00 0.00 C ATOM 0 H PHE A 213 -3.926 -0.891 3.521 1.00 0.00 H new ATOM 0 HA PHE A 213 -4.209 -3.865 3.288 1.00 0.00 H new ATOM 0 HB2 PHE A 213 -3.218 -1.829 1.201 1.00 0.00 H new ATOM 0 HB3 PHE A 213 -2.796 -3.528 1.112 1.00 0.00 H new ATOM 0 HD1 PHE A 213 -5.717 -1.194 1.234 1.00 0.00 H new ATOM 0 HD2 PHE A 213 -4.299 -5.109 0.184 1.00 0.00 H new ATOM 0 HE1 PHE A 213 -7.864 -1.663 0.085 1.00 0.00 H new ATOM 0 HE2 PHE A 213 -6.448 -5.582 -0.957 1.00 0.00 H new ATOM 0 HZ PHE A 213 -8.229 -3.858 -1.009 1.00 0.00 H new ATOM 682 N LEU A 214 -1.958 -4.008 4.298 1.00 0.00 N ATOM 683 CA LEU A 214 -0.597 -4.046 4.897 1.00 0.00 C ATOM 684 C LEU A 214 0.406 -4.163 3.764 1.00 0.00 C ATOM 685 O LEU A 214 0.478 -5.166 3.082 1.00 0.00 O ATOM 686 CB LEU A 214 -0.563 -5.290 5.782 1.00 0.00 C ATOM 687 CG LEU A 214 0.665 -5.275 6.705 1.00 0.00 C ATOM 688 CD1 LEU A 214 0.974 -3.859 7.196 1.00 0.00 C ATOM 689 CD2 LEU A 214 0.384 -6.176 7.905 1.00 0.00 C ATOM 0 H LEU A 214 -2.535 -4.834 4.456 1.00 0.00 H new ATOM 0 HA LEU A 214 -0.359 -3.157 5.482 1.00 0.00 H new ATOM 0 HB2 LEU A 214 -1.472 -5.339 6.381 1.00 0.00 H new ATOM 0 HB3 LEU A 214 -0.543 -6.184 5.159 1.00 0.00 H new ATOM 0 HG LEU A 214 1.529 -5.635 6.146 1.00 0.00 H new ATOM 0 HD11 LEU A 214 1.848 -3.882 7.847 1.00 0.00 H new ATOM 0 HD12 LEU A 214 1.175 -3.213 6.341 1.00 0.00 H new ATOM 0 HD13 LEU A 214 0.119 -3.471 7.750 1.00 0.00 H new ATOM 0 HD21 LEU A 214 1.247 -6.176 8.570 1.00 0.00 H new ATOM 0 HD22 LEU A 214 -0.488 -5.804 8.443 1.00 0.00 H new ATOM 0 HD23 LEU A 214 0.192 -7.192 7.560 1.00 0.00 H new ATOM 701 N ILE A 215 1.144 -3.130 3.522 1.00 0.00 N ATOM 702 CA ILE A 215 2.099 -3.164 2.394 1.00 0.00 C ATOM 703 C ILE A 215 3.516 -3.520 2.839 1.00 0.00 C ATOM 704 O ILE A 215 4.205 -2.721 3.443 1.00 0.00 O ATOM 705 CB ILE A 215 2.079 -1.747 1.847 1.00 0.00 C ATOM 706 CG1 ILE A 215 0.636 -1.258 1.703 1.00 0.00 C ATOM 707 CG2 ILE A 215 2.766 -1.736 0.491 1.00 0.00 C ATOM 708 CD1 ILE A 215 -0.145 -2.210 0.801 1.00 0.00 C ATOM 0 H ILE A 215 1.129 -2.261 4.056 1.00 0.00 H new ATOM 0 HA ILE A 215 1.817 -3.923 1.665 1.00 0.00 H new ATOM 0 HB ILE A 215 2.603 -1.082 2.534 1.00 0.00 H new ATOM 0 HG12 ILE A 215 0.162 -1.200 2.683 1.00 0.00 H new ATOM 0 HG13 ILE A 215 0.623 -0.252 1.283 1.00 0.00 H new ATOM 0 HG21 ILE A 215 2.758 -0.724 0.087 1.00 0.00 H new ATOM 0 HG22 ILE A 215 3.796 -2.074 0.602 1.00 0.00 H new ATOM 0 HG23 ILE A 215 2.237 -2.402 -0.190 1.00 0.00 H new ATOM 0 HD11 ILE A 215 -1.172 -1.857 0.702 1.00 0.00 H new ATOM 0 HD12 ILE A 215 0.323 -2.245 -0.183 1.00 0.00 H new ATOM 0 HD13 ILE A 215 -0.145 -3.208 1.239 1.00 0.00 H new ATOM 720 N LYS A 216 3.976 -4.695 2.509 1.00 0.00 N ATOM 721 CA LYS A 216 5.373 -5.060 2.874 1.00 0.00 C ATOM 722 C LYS A 216 6.328 -4.302 1.943 1.00 0.00 C ATOM 723 O LYS A 216 6.594 -4.727 0.837 1.00 0.00 O ATOM 724 CB LYS A 216 5.494 -6.570 2.643 1.00 0.00 C ATOM 725 CG LYS A 216 6.955 -6.991 2.807 1.00 0.00 C ATOM 726 CD LYS A 216 7.164 -7.562 4.213 1.00 0.00 C ATOM 727 CE LYS A 216 7.904 -8.898 4.119 1.00 0.00 C ATOM 728 NZ LYS A 216 9.178 -8.681 4.859 1.00 0.00 N ATOM 0 H LYS A 216 3.451 -5.412 2.008 1.00 0.00 H new ATOM 0 HA LYS A 216 5.616 -4.807 3.906 1.00 0.00 H new ATOM 0 HB2 LYS A 216 4.866 -7.109 3.352 1.00 0.00 H new ATOM 0 HB3 LYS A 216 5.140 -6.826 1.645 1.00 0.00 H new ATOM 0 HG2 LYS A 216 7.217 -7.737 2.057 1.00 0.00 H new ATOM 0 HG3 LYS A 216 7.612 -6.136 2.648 1.00 0.00 H new ATOM 0 HD2 LYS A 216 7.735 -6.860 4.820 1.00 0.00 H new ATOM 0 HD3 LYS A 216 6.202 -7.701 4.707 1.00 0.00 H new ATOM 0 HE2 LYS A 216 7.321 -9.705 4.563 1.00 0.00 H new ATOM 0 HE3 LYS A 216 8.091 -9.174 3.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 216 9.743 -9.554 4.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 216 9.714 -7.912 4.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 216 8.968 -8.426 5.845 1.00 0.00 H new ATOM 742 N TRP A 217 6.826 -3.172 2.364 1.00 0.00 N ATOM 743 CA TRP A 217 7.743 -2.398 1.477 1.00 0.00 C ATOM 744 C TRP A 217 9.154 -2.996 1.527 1.00 0.00 C ATOM 745 O TRP A 217 9.328 -4.197 1.576 1.00 0.00 O ATOM 746 CB TRP A 217 7.746 -0.975 2.041 1.00 0.00 C ATOM 747 CG TRP A 217 6.349 -0.440 2.086 1.00 0.00 C ATOM 748 CD1 TRP A 217 5.517 -0.535 3.148 1.00 0.00 C ATOM 749 CD2 TRP A 217 5.610 0.273 1.049 1.00 0.00 C ATOM 750 NE1 TRP A 217 4.322 0.087 2.836 1.00 0.00 N ATOM 751 CE2 TRP A 217 4.324 0.591 1.550 1.00 0.00 C ATOM 752 CE3 TRP A 217 5.926 0.669 -0.263 1.00 0.00 C ATOM 753 CZ2 TRP A 217 3.384 1.279 0.776 1.00 0.00 C ATOM 754 CZ3 TRP A 217 4.984 1.360 -1.045 1.00 0.00 C ATOM 755 CH2 TRP A 217 3.716 1.663 -0.527 1.00 0.00 C ATOM 0 H TRP A 217 6.641 -2.753 3.275 1.00 0.00 H new ATOM 0 HA TRP A 217 7.421 -2.420 0.436 1.00 0.00 H new ATOM 0 HB2 TRP A 217 8.178 -0.972 3.042 1.00 0.00 H new ATOM 0 HB3 TRP A 217 8.371 -0.331 1.423 1.00 0.00 H new ATOM 0 HD1 TRP A 217 5.748 -1.018 4.086 1.00 0.00 H new ATOM 0 HE1 TRP A 217 3.534 0.164 3.479 1.00 0.00 H new ATOM 0 HE3 TRP A 217 6.899 0.441 -0.673 1.00 0.00 H new ATOM 0 HZ2 TRP A 217 2.410 1.512 1.181 1.00 0.00 H new ATOM 0 HZ3 TRP A 217 5.238 1.660 -2.051 1.00 0.00 H new ATOM 0 HH2 TRP A 217 2.997 2.192 -1.134 1.00 0.00 H new ATOM 871 N ASN A 225 7.006 -3.469 6.939 1.00 0.00 N ATOM 872 CA ASN A 225 5.580 -3.510 6.503 1.00 0.00 C ATOM 873 C ASN A 225 4.782 -2.388 7.166 1.00 0.00 C ATOM 874 O ASN A 225 5.103 -1.932 8.246 1.00 0.00 O ATOM 875 CB ASN A 225 5.066 -4.875 6.961 1.00 0.00 C ATOM 876 CG ASN A 225 5.214 -4.996 8.479 1.00 0.00 C ATOM 877 OD1 ASN A 225 5.786 -4.134 9.115 1.00 0.00 O ATOM 878 ND2 ASN A 225 4.717 -6.037 9.088 1.00 0.00 N ATOM 0 HA ASN A 225 5.478 -3.372 5.427 1.00 0.00 H new ATOM 0 HB2 ASN A 225 4.021 -4.995 6.677 1.00 0.00 H new ATOM 0 HB3 ASN A 225 5.624 -5.670 6.466 1.00 0.00 H new ATOM 0 HD21 ASN A 225 4.809 -6.128 10.100 1.00 0.00 H new ATOM 0 HD22 ASN A 225 4.237 -6.760 8.552 1.00 0.00 H new ATOM 885 N THR A 226 3.741 -1.946 6.521 1.00 0.00 N ATOM 886 CA THR A 226 2.902 -0.861 7.092 1.00 0.00 C ATOM 887 C THR A 226 1.486 -0.982 6.533 1.00 0.00 C ATOM 888 O THR A 226 1.244 -1.710 5.591 1.00 0.00 O ATOM 889 CB THR A 226 3.554 0.443 6.631 1.00 0.00 C ATOM 890 OG1 THR A 226 3.667 0.439 5.215 1.00 0.00 O ATOM 891 CG2 THR A 226 4.943 0.572 7.256 1.00 0.00 C ATOM 0 H THR A 226 3.433 -2.294 5.613 1.00 0.00 H new ATOM 0 HA THR A 226 2.836 -0.906 8.179 1.00 0.00 H new ATOM 0 HB THR A 226 2.939 1.287 6.944 1.00 0.00 H new ATOM 0 HG1 THR A 226 4.535 0.064 4.957 1.00 0.00 H new ATOM 0 HG21 THR A 226 5.406 1.502 6.926 1.00 0.00 H new ATOM 0 HG22 THR A 226 4.854 0.577 8.342 1.00 0.00 H new ATOM 0 HG23 THR A 226 5.561 -0.271 6.946 1.00 0.00 H new ATOM 899 N TRP A 227 0.548 -0.287 7.100 1.00 0.00 N ATOM 900 CA TRP A 227 -0.842 -0.386 6.586 1.00 0.00 C ATOM 901 C TRP A 227 -1.205 0.866 5.791 1.00 0.00 C ATOM 902 O TRP A 227 -1.658 1.855 6.332 1.00 0.00 O ATOM 903 CB TRP A 227 -1.705 -0.538 7.833 1.00 0.00 C ATOM 904 CG TRP A 227 -1.668 -1.971 8.248 1.00 0.00 C ATOM 905 CD1 TRP A 227 -0.716 -2.532 9.031 1.00 0.00 C ATOM 906 CD2 TRP A 227 -2.589 -3.040 7.893 1.00 0.00 C ATOM 907 NE1 TRP A 227 -0.998 -3.878 9.179 1.00 0.00 N ATOM 908 CE2 TRP A 227 -2.144 -4.238 8.499 1.00 0.00 C ATOM 909 CE3 TRP A 227 -3.758 -3.086 7.112 1.00 0.00 C ATOM 910 CZ2 TRP A 227 -2.834 -5.438 8.335 1.00 0.00 C ATOM 911 CZ3 TRP A 227 -4.452 -4.294 6.945 1.00 0.00 C ATOM 912 CH2 TRP A 227 -3.989 -5.467 7.556 1.00 0.00 C ATOM 0 H TRP A 227 0.680 0.342 7.892 1.00 0.00 H new ATOM 0 HA TRP A 227 -0.982 -1.223 5.902 1.00 0.00 H new ATOM 0 HB2 TRP A 227 -1.333 0.100 8.634 1.00 0.00 H new ATOM 0 HB3 TRP A 227 -2.729 -0.227 7.628 1.00 0.00 H new ATOM 0 HD1 TRP A 227 0.125 -2.014 9.468 1.00 0.00 H new ATOM 0 HE1 TRP A 227 -0.429 -4.525 9.724 1.00 0.00 H new ATOM 0 HE3 TRP A 227 -4.123 -2.187 6.638 1.00 0.00 H new ATOM 0 HZ2 TRP A 227 -2.476 -6.340 8.809 1.00 0.00 H new ATOM 0 HZ3 TRP A 227 -5.348 -4.320 6.342 1.00 0.00 H new ATOM 0 HH2 TRP A 227 -4.527 -6.394 7.423 1.00 0.00 H new ATOM 923 N GLU A 228 -1.003 0.822 4.502 1.00 0.00 N ATOM 924 CA GLU A 228 -1.327 1.999 3.650 1.00 0.00 C ATOM 925 C GLU A 228 -2.678 1.794 2.963 1.00 0.00 C ATOM 926 O GLU A 228 -3.395 0.855 3.248 1.00 0.00 O ATOM 927 CB GLU A 228 -0.203 2.060 2.614 1.00 0.00 C ATOM 928 CG GLU A 228 1.148 1.980 3.325 1.00 0.00 C ATOM 929 CD GLU A 228 1.887 3.310 3.166 1.00 0.00 C ATOM 930 OE1 GLU A 228 1.420 4.294 3.714 1.00 0.00 O ATOM 931 OE2 GLU A 228 2.909 3.322 2.498 1.00 0.00 O ATOM 0 H GLU A 228 -0.626 0.017 4.001 1.00 0.00 H new ATOM 0 HA GLU A 228 -1.399 2.921 4.227 1.00 0.00 H new ATOM 0 HB2 GLU A 228 -0.302 1.238 1.905 1.00 0.00 H new ATOM 0 HB3 GLU A 228 -0.271 2.985 2.042 1.00 0.00 H new ATOM 0 HG2 GLU A 228 1.002 1.757 4.382 1.00 0.00 H new ATOM 0 HG3 GLU A 228 1.744 1.168 2.907 1.00 0.00 H new ATOM 938 N THR A 229 -3.028 2.662 2.058 1.00 0.00 N ATOM 939 CA THR A 229 -4.326 2.516 1.348 1.00 0.00 C ATOM 940 C THR A 229 -4.145 2.885 -0.120 1.00 0.00 C ATOM 941 O THR A 229 -3.258 3.637 -0.474 1.00 0.00 O ATOM 942 CB THR A 229 -5.271 3.500 2.032 1.00 0.00 C ATOM 943 OG1 THR A 229 -4.684 4.794 2.034 1.00 0.00 O ATOM 944 CG2 THR A 229 -5.524 3.046 3.468 1.00 0.00 C ATOM 0 H THR A 229 -2.469 3.468 1.779 1.00 0.00 H new ATOM 0 HA THR A 229 -4.711 1.497 1.386 1.00 0.00 H new ATOM 0 HB THR A 229 -6.218 3.534 1.493 1.00 0.00 H new ATOM 0 HG1 THR A 229 -5.290 5.428 2.471 1.00 0.00 H new ATOM 0 HG21 THR A 229 -6.199 3.748 3.958 1.00 0.00 H new ATOM 0 HG22 THR A 229 -5.975 2.054 3.462 1.00 0.00 H new ATOM 0 HG23 THR A 229 -4.579 3.012 4.011 1.00 0.00 H new ATOM 952 N TYR A 230 -4.966 2.364 -0.980 1.00 0.00 N ATOM 953 CA TYR A 230 -4.818 2.690 -2.421 1.00 0.00 C ATOM 954 C TYR A 230 -4.623 4.196 -2.611 1.00 0.00 C ATOM 955 O TYR A 230 -3.875 4.632 -3.463 1.00 0.00 O ATOM 956 CB TYR A 230 -6.124 2.231 -3.070 1.00 0.00 C ATOM 957 CG TYR A 230 -5.920 0.899 -3.753 1.00 0.00 C ATOM 958 CD1 TYR A 230 -5.037 0.795 -4.835 1.00 0.00 C ATOM 959 CD2 TYR A 230 -6.619 -0.230 -3.308 1.00 0.00 C ATOM 960 CE1 TYR A 230 -4.853 -0.440 -5.469 1.00 0.00 C ATOM 961 CE2 TYR A 230 -6.435 -1.463 -3.945 1.00 0.00 C ATOM 962 CZ TYR A 230 -5.552 -1.567 -5.025 1.00 0.00 C ATOM 963 OH TYR A 230 -5.372 -2.782 -5.654 1.00 0.00 O ATOM 0 H TYR A 230 -5.731 1.729 -0.750 1.00 0.00 H new ATOM 0 HA TYR A 230 -3.950 2.202 -2.864 1.00 0.00 H new ATOM 0 HB2 TYR A 230 -6.905 2.146 -2.315 1.00 0.00 H new ATOM 0 HB3 TYR A 230 -6.460 2.973 -3.794 1.00 0.00 H new ATOM 0 HD1 TYR A 230 -4.499 1.666 -5.180 1.00 0.00 H new ATOM 0 HD2 TYR A 230 -7.300 -0.149 -2.474 1.00 0.00 H new ATOM 0 HE1 TYR A 230 -4.170 -0.522 -6.302 1.00 0.00 H new ATOM 0 HE2 TYR A 230 -6.975 -2.334 -3.603 1.00 0.00 H new ATOM 0 HH TYR A 230 -5.185 -2.634 -6.604 1.00 0.00 H new ATOM 973 N GLU A 231 -5.288 4.993 -1.825 1.00 0.00 N ATOM 974 CA GLU A 231 -5.137 6.470 -1.963 1.00 0.00 C ATOM 975 C GLU A 231 -3.707 6.886 -1.613 1.00 0.00 C ATOM 976 O GLU A 231 -3.311 8.016 -1.817 1.00 0.00 O ATOM 977 CB GLU A 231 -6.133 7.069 -0.970 1.00 0.00 C ATOM 978 CG GLU A 231 -6.858 8.246 -1.624 1.00 0.00 C ATOM 979 CD GLU A 231 -7.422 9.165 -0.539 1.00 0.00 C ATOM 980 OE1 GLU A 231 -6.830 9.225 0.525 1.00 0.00 O ATOM 981 OE2 GLU A 231 -8.438 9.792 -0.791 1.00 0.00 O ATOM 0 H GLU A 231 -5.929 4.688 -1.093 1.00 0.00 H new ATOM 0 HA GLU A 231 -5.328 6.812 -2.980 1.00 0.00 H new ATOM 0 HB2 GLU A 231 -6.853 6.312 -0.659 1.00 0.00 H new ATOM 0 HB3 GLU A 231 -5.612 7.402 -0.072 1.00 0.00 H new ATOM 0 HG2 GLU A 231 -6.171 8.800 -2.264 1.00 0.00 H new ATOM 0 HG3 GLU A 231 -7.663 7.882 -2.262 1.00 0.00 H new ATOM 988 N SER A 232 -2.928 5.979 -1.091 1.00 0.00 N ATOM 989 CA SER A 232 -1.520 6.323 -0.732 1.00 0.00 C ATOM 990 C SER A 232 -0.550 5.362 -1.423 1.00 0.00 C ATOM 991 O SER A 232 0.610 5.667 -1.616 1.00 0.00 O ATOM 992 CB SER A 232 -1.446 6.160 0.786 1.00 0.00 C ATOM 993 OG SER A 232 -0.094 6.292 1.205 1.00 0.00 O ATOM 0 H SER A 232 -3.203 5.016 -0.897 1.00 0.00 H new ATOM 0 HA SER A 232 -1.248 7.331 -1.046 1.00 0.00 H new ATOM 0 HB2 SER A 232 -2.066 6.911 1.275 1.00 0.00 H new ATOM 0 HB3 SER A 232 -1.836 5.185 1.079 1.00 0.00 H new ATOM 0 HG SER A 232 -0.042 6.190 2.178 1.00 0.00 H new ATOM 999 N ILE A 233 -1.017 4.203 -1.797 1.00 0.00 N ATOM 1000 CA ILE A 233 -0.126 3.217 -2.477 1.00 0.00 C ATOM 1001 C ILE A 233 -0.639 2.961 -3.901 1.00 0.00 C ATOM 1002 O ILE A 233 -0.180 2.070 -4.589 1.00 0.00 O ATOM 1003 CB ILE A 233 -0.158 1.932 -1.597 1.00 0.00 C ATOM 1004 CG1 ILE A 233 -0.344 0.676 -2.462 1.00 0.00 C ATOM 1005 CG2 ILE A 233 -1.292 1.991 -0.567 1.00 0.00 C ATOM 1006 CD1 ILE A 233 -0.624 -0.529 -1.564 1.00 0.00 C ATOM 0 H ILE A 233 -1.980 3.894 -1.661 1.00 0.00 H new ATOM 0 HA ILE A 233 0.899 3.574 -2.577 1.00 0.00 H new ATOM 0 HB ILE A 233 0.799 1.880 -1.078 1.00 0.00 H new ATOM 0 HG12 ILE A 233 -1.169 0.822 -3.160 1.00 0.00 H new ATOM 0 HG13 ILE A 233 0.551 0.497 -3.059 1.00 0.00 H new ATOM 0 HG21 ILE A 233 -1.288 1.080 0.031 1.00 0.00 H new ATOM 0 HG22 ILE A 233 -1.148 2.853 0.084 1.00 0.00 H new ATOM 0 HG23 ILE A 233 -2.248 2.082 -1.083 1.00 0.00 H new ATOM 0 HD11 ILE A 233 -0.756 -1.419 -2.180 1.00 0.00 H new ATOM 0 HD12 ILE A 233 0.215 -0.679 -0.884 1.00 0.00 H new ATOM 0 HD13 ILE A 233 -1.531 -0.350 -0.987 1.00 0.00 H new ATOM 1018 N GLY A 234 -1.585 3.742 -4.350 1.00 0.00 N ATOM 1019 CA GLY A 234 -2.124 3.544 -5.724 1.00 0.00 C ATOM 1020 C GLY A 234 -1.310 4.365 -6.726 1.00 0.00 C ATOM 1021 O GLY A 234 -1.843 5.186 -7.447 1.00 0.00 O ATOM 0 H GLY A 234 -2.007 4.508 -3.824 1.00 0.00 H new ATOM 0 HA2 GLY A 234 -2.086 2.488 -5.990 1.00 0.00 H new ATOM 0 HA3 GLY A 234 -3.171 3.844 -5.760 1.00 0.00 H new ATOM 1025 N GLN A 235 -0.023 4.152 -6.782 1.00 0.00 N ATOM 1026 CA GLN A 235 0.819 4.923 -7.745 1.00 0.00 C ATOM 1027 C GLN A 235 2.298 4.565 -7.570 1.00 0.00 C ATOM 1028 O GLN A 235 3.172 5.385 -7.770 1.00 0.00 O ATOM 1029 CB GLN A 235 0.574 6.393 -7.401 1.00 0.00 C ATOM 1030 CG GLN A 235 0.608 6.578 -5.882 1.00 0.00 C ATOM 1031 CD GLN A 235 1.561 7.721 -5.526 1.00 0.00 C ATOM 1032 OE1 GLN A 235 1.557 8.753 -6.167 1.00 0.00 O ATOM 1033 NE2 GLN A 235 2.383 7.579 -4.523 1.00 0.00 N ATOM 0 H GLN A 235 0.482 3.480 -6.205 1.00 0.00 H new ATOM 0 HA GLN A 235 0.565 4.701 -8.781 1.00 0.00 H new ATOM 0 HB2 GLN A 235 1.333 7.018 -7.871 1.00 0.00 H new ATOM 0 HB3 GLN A 235 -0.391 6.713 -7.795 1.00 0.00 H new ATOM 0 HG2 GLN A 235 -0.393 6.796 -5.509 1.00 0.00 H new ATOM 0 HG3 GLN A 235 0.934 5.656 -5.400 1.00 0.00 H new ATOM 0 HE21 GLN A 235 2.386 6.712 -3.985 1.00 0.00 H new ATOM 0 HE22 GLN A 235 3.022 8.335 -4.277 1.00 0.00 H new ATOM 1042 N VAL A 236 2.583 3.346 -7.203 1.00 0.00 N ATOM 1043 CA VAL A 236 4.004 2.927 -7.019 1.00 0.00 C ATOM 1044 C VAL A 236 4.130 1.425 -7.255 1.00 0.00 C ATOM 1045 O VAL A 236 4.787 0.725 -6.509 1.00 0.00 O ATOM 1046 CB VAL A 236 4.339 3.259 -5.564 1.00 0.00 C ATOM 1047 CG1 VAL A 236 3.896 4.684 -5.251 1.00 0.00 C ATOM 1048 CG2 VAL A 236 3.608 2.285 -4.636 1.00 0.00 C ATOM 0 H VAL A 236 1.891 2.619 -7.022 1.00 0.00 H new ATOM 0 HA VAL A 236 4.676 3.430 -7.715 1.00 0.00 H new ATOM 0 HB VAL A 236 5.415 3.170 -5.412 1.00 0.00 H new ATOM 0 HG11 VAL A 236 4.135 4.920 -4.214 1.00 0.00 H new ATOM 0 HG12 VAL A 236 4.415 5.380 -5.910 1.00 0.00 H new ATOM 0 HG13 VAL A 236 2.821 4.773 -5.405 1.00 0.00 H new ATOM 0 HG21 VAL A 236 3.847 2.522 -3.599 1.00 0.00 H new ATOM 0 HG22 VAL A 236 2.533 2.373 -4.790 1.00 0.00 H new ATOM 0 HG23 VAL A 236 3.923 1.265 -4.857 1.00 0.00 H new ATOM 1058 N ARG A 237 3.483 0.919 -8.274 1.00 0.00 N ATOM 1059 CA ARG A 237 3.541 -0.548 -8.550 1.00 0.00 C ATOM 1060 C ARG A 237 2.704 -1.302 -7.506 1.00 0.00 C ATOM 1061 O ARG A 237 2.571 -2.514 -7.549 1.00 0.00 O ATOM 1062 CB ARG A 237 5.020 -0.922 -8.435 1.00 0.00 C ATOM 1063 CG ARG A 237 5.385 -1.911 -9.545 1.00 0.00 C ATOM 1064 CD ARG A 237 6.520 -1.331 -10.394 1.00 0.00 C ATOM 1065 NE ARG A 237 5.840 -0.508 -11.434 1.00 0.00 N ATOM 1066 CZ ARG A 237 6.064 0.776 -11.501 1.00 0.00 C ATOM 1067 NH1 ARG A 237 5.559 1.574 -10.601 1.00 0.00 N ATOM 1068 NH2 ARG A 237 6.789 1.262 -12.472 1.00 0.00 N ATOM 0 H ARG A 237 2.916 1.460 -8.928 1.00 0.00 H new ATOM 0 HA ARG A 237 3.141 -0.805 -9.531 1.00 0.00 H new ATOM 0 HB2 ARG A 237 5.639 -0.028 -8.512 1.00 0.00 H new ATOM 0 HB3 ARG A 237 5.219 -1.365 -7.459 1.00 0.00 H new ATOM 0 HG2 ARG A 237 5.691 -2.863 -9.112 1.00 0.00 H new ATOM 0 HG3 ARG A 237 4.514 -2.110 -10.170 1.00 0.00 H new ATOM 0 HD2 ARG A 237 7.195 -0.725 -9.790 1.00 0.00 H new ATOM 0 HD3 ARG A 237 7.119 -2.122 -10.846 1.00 0.00 H new ATOM 0 HE ARG A 237 5.199 -0.949 -12.094 1.00 0.00 H new ATOM 0 HH11 ARG A 237 4.989 1.194 -9.845 1.00 0.00 H new ATOM 0 HH12 ARG A 237 5.734 2.578 -10.653 1.00 0.00 H new ATOM 0 HH21 ARG A 237 7.180 0.638 -13.178 1.00 0.00 H new ATOM 0 HH22 ARG A 237 6.964 2.265 -12.525 1.00 0.00 H new ATOM 1082 N GLY A 238 2.130 -0.587 -6.572 1.00 0.00 N ATOM 1083 CA GLY A 238 1.300 -1.243 -5.533 1.00 0.00 C ATOM 1084 C GLY A 238 0.054 -1.825 -6.184 1.00 0.00 C ATOM 1085 O GLY A 238 -0.198 -3.006 -6.109 1.00 0.00 O ATOM 0 H GLY A 238 2.205 0.427 -6.489 1.00 0.00 H new ATOM 0 HA2 GLY A 238 1.869 -2.031 -5.039 1.00 0.00 H new ATOM 0 HA3 GLY A 238 1.021 -0.522 -4.765 1.00 0.00 H new ATOM 1089 N LEU A 239 -0.729 -1.006 -6.826 1.00 0.00 N ATOM 1090 CA LEU A 239 -1.962 -1.524 -7.481 1.00 0.00 C ATOM 1091 C LEU A 239 -1.665 -2.837 -8.205 1.00 0.00 C ATOM 1092 O LEU A 239 -2.484 -3.727 -8.239 1.00 0.00 O ATOM 1093 CB LEU A 239 -2.374 -0.440 -8.479 1.00 0.00 C ATOM 1094 CG LEU A 239 -2.632 0.870 -7.736 1.00 0.00 C ATOM 1095 CD1 LEU A 239 -1.633 1.928 -8.207 1.00 0.00 C ATOM 1096 CD2 LEU A 239 -4.057 1.347 -8.028 1.00 0.00 C ATOM 0 H LEU A 239 -0.570 -0.003 -6.926 1.00 0.00 H new ATOM 0 HA LEU A 239 -2.753 -1.731 -6.760 1.00 0.00 H new ATOM 0 HB2 LEU A 239 -1.590 -0.299 -9.223 1.00 0.00 H new ATOM 0 HB3 LEU A 239 -3.271 -0.748 -9.016 1.00 0.00 H new ATOM 0 HG LEU A 239 -2.514 0.711 -6.664 1.00 0.00 H new ATOM 0 HD11 LEU A 239 -1.816 2.863 -7.677 1.00 0.00 H new ATOM 0 HD12 LEU A 239 -0.618 1.587 -8.001 1.00 0.00 H new ATOM 0 HD13 LEU A 239 -1.751 2.089 -9.279 1.00 0.00 H new ATOM 0 HD21 LEU A 239 -4.243 2.282 -7.499 1.00 0.00 H new ATOM 0 HD22 LEU A 239 -4.175 1.507 -9.100 1.00 0.00 H new ATOM 0 HD23 LEU A 239 -4.769 0.592 -7.694 1.00 0.00 H new ATOM 1108 N LYS A 240 -0.503 -2.973 -8.780 1.00 0.00 N ATOM 1109 CA LYS A 240 -0.181 -4.243 -9.488 1.00 0.00 C ATOM 1110 C LYS A 240 -0.129 -5.394 -8.486 1.00 0.00 C ATOM 1111 O LYS A 240 -0.884 -6.342 -8.576 1.00 0.00 O ATOM 1112 CB LYS A 240 1.192 -4.022 -10.116 1.00 0.00 C ATOM 1113 CG LYS A 240 1.379 -4.994 -11.282 1.00 0.00 C ATOM 1114 CD LYS A 240 2.586 -5.892 -11.009 1.00 0.00 C ATOM 1115 CE LYS A 240 3.849 -5.225 -11.558 1.00 0.00 C ATOM 1116 NZ LYS A 240 4.498 -6.267 -12.401 1.00 0.00 N ATOM 0 H LYS A 240 0.232 -2.266 -8.791 1.00 0.00 H new ATOM 0 HA LYS A 240 -0.929 -4.497 -10.239 1.00 0.00 H new ATOM 0 HB2 LYS A 240 1.283 -2.994 -10.467 1.00 0.00 H new ATOM 0 HB3 LYS A 240 1.974 -4.175 -9.372 1.00 0.00 H new ATOM 0 HG2 LYS A 240 0.483 -5.601 -11.411 1.00 0.00 H new ATOM 0 HG3 LYS A 240 1.526 -4.441 -12.210 1.00 0.00 H new ATOM 0 HD2 LYS A 240 2.689 -6.066 -9.938 1.00 0.00 H new ATOM 0 HD3 LYS A 240 2.442 -6.866 -11.478 1.00 0.00 H new ATOM 0 HE2 LYS A 240 3.605 -4.339 -12.144 1.00 0.00 H new ATOM 0 HE3 LYS A 240 4.508 -4.903 -10.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 240 5.373 -5.885 -12.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 240 4.725 -7.096 -11.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 240 3.850 -6.549 -13.164 1.00 0.00 H new ATOM 1130 N ARG A 241 0.745 -5.317 -7.521 1.00 0.00 N ATOM 1131 CA ARG A 241 0.821 -6.411 -6.511 1.00 0.00 C ATOM 1132 C ARG A 241 -0.427 -6.364 -5.628 1.00 0.00 C ATOM 1133 O ARG A 241 -0.869 -7.362 -5.096 1.00 0.00 O ATOM 1134 CB ARG A 241 2.076 -6.114 -5.698 1.00 0.00 C ATOM 1135 CG ARG A 241 3.275 -6.824 -6.327 1.00 0.00 C ATOM 1136 CD ARG A 241 4.493 -6.657 -5.419 1.00 0.00 C ATOM 1137 NE ARG A 241 5.658 -7.051 -6.258 1.00 0.00 N ATOM 1138 CZ ARG A 241 6.456 -8.001 -5.858 1.00 0.00 C ATOM 1139 NH1 ARG A 241 6.026 -9.232 -5.797 1.00 0.00 N ATOM 1140 NH2 ARG A 241 7.683 -7.721 -5.515 1.00 0.00 N ATOM 0 H ARG A 241 1.405 -4.551 -7.388 1.00 0.00 H new ATOM 0 HA ARG A 241 0.866 -7.404 -6.959 1.00 0.00 H new ATOM 0 HB2 ARG A 241 2.254 -5.039 -5.664 1.00 0.00 H new ATOM 0 HB3 ARG A 241 1.942 -6.447 -4.669 1.00 0.00 H new ATOM 0 HG2 ARG A 241 3.054 -7.882 -6.467 1.00 0.00 H new ATOM 0 HG3 ARG A 241 3.482 -6.408 -7.313 1.00 0.00 H new ATOM 0 HD2 ARG A 241 4.587 -5.628 -5.071 1.00 0.00 H new ATOM 0 HD3 ARG A 241 4.414 -7.287 -4.533 1.00 0.00 H new ATOM 0 HE ARG A 241 5.832 -6.578 -7.145 1.00 0.00 H new ATOM 0 HH11 ARG A 241 5.066 -9.450 -6.062 1.00 0.00 H new ATOM 0 HH12 ARG A 241 6.650 -9.975 -5.484 1.00 0.00 H new ATOM 0 HH21 ARG A 241 8.018 -6.759 -5.560 1.00 0.00 H new ATOM 0 HH22 ARG A 241 8.307 -8.464 -5.202 1.00 0.00 H new ATOM 1154 N LEU A 242 -1.002 -5.202 -5.490 1.00 0.00 N ATOM 1155 CA LEU A 242 -2.235 -5.056 -4.672 1.00 0.00 C ATOM 1156 C LEU A 242 -3.408 -5.618 -5.462 1.00 0.00 C ATOM 1157 O LEU A 242 -4.325 -6.200 -4.916 1.00 0.00 O ATOM 1158 CB LEU A 242 -2.384 -3.546 -4.480 1.00 0.00 C ATOM 1159 CG LEU A 242 -3.192 -3.251 -3.217 1.00 0.00 C ATOM 1160 CD1 LEU A 242 -4.452 -4.113 -3.208 1.00 0.00 C ATOM 1161 CD2 LEU A 242 -2.343 -3.564 -1.981 1.00 0.00 C ATOM 0 H LEU A 242 -0.665 -4.338 -5.915 1.00 0.00 H new ATOM 0 HA LEU A 242 -2.196 -5.582 -3.718 1.00 0.00 H new ATOM 0 HB2 LEU A 242 -1.400 -3.083 -4.407 1.00 0.00 H new ATOM 0 HB3 LEU A 242 -2.879 -3.109 -5.347 1.00 0.00 H new ATOM 0 HG LEU A 242 -3.474 -2.198 -3.202 1.00 0.00 H new ATOM 0 HD11 LEU A 242 -5.030 -3.904 -2.308 1.00 0.00 H new ATOM 0 HD12 LEU A 242 -5.055 -3.885 -4.087 1.00 0.00 H new ATOM 0 HD13 LEU A 242 -4.172 -5.166 -3.223 1.00 0.00 H new ATOM 0 HD21 LEU A 242 -2.920 -3.353 -1.080 1.00 0.00 H new ATOM 0 HD22 LEU A 242 -2.059 -4.616 -1.992 1.00 0.00 H new ATOM 0 HD23 LEU A 242 -1.446 -2.945 -1.990 1.00 0.00 H new ATOM 1173 N ASP A 243 -3.370 -5.461 -6.756 1.00 0.00 N ATOM 1174 CA ASP A 243 -4.472 -6.004 -7.598 1.00 0.00 C ATOM 1175 C ASP A 243 -4.441 -7.526 -7.523 1.00 0.00 C ATOM 1176 O ASP A 243 -5.445 -8.170 -7.292 1.00 0.00 O ATOM 1177 CB ASP A 243 -4.176 -5.531 -9.023 1.00 0.00 C ATOM 1178 CG ASP A 243 -4.797 -4.151 -9.244 1.00 0.00 C ATOM 1179 OD1 ASP A 243 -4.789 -3.363 -8.312 1.00 0.00 O ATOM 1180 OD2 ASP A 243 -5.270 -3.903 -10.341 1.00 0.00 O ATOM 0 H ASP A 243 -2.627 -4.982 -7.265 1.00 0.00 H new ATOM 0 HA ASP A 243 -5.456 -5.669 -7.271 1.00 0.00 H new ATOM 0 HB2 ASP A 243 -3.099 -5.487 -9.186 1.00 0.00 H new ATOM 0 HB3 ASP A 243 -4.579 -6.242 -9.744 1.00 0.00 H new ATOM 1185 N ASN A 244 -3.284 -8.105 -7.698 1.00 0.00 N ATOM 1186 CA ASN A 244 -3.179 -9.585 -7.617 1.00 0.00 C ATOM 1187 C ASN A 244 -3.473 -10.034 -6.184 1.00 0.00 C ATOM 1188 O ASN A 244 -3.902 -11.145 -5.945 1.00 0.00 O ATOM 1189 CB ASN A 244 -1.735 -9.907 -8.003 1.00 0.00 C ATOM 1190 CG ASN A 244 -1.728 -10.901 -9.166 1.00 0.00 C ATOM 1191 OD1 ASN A 244 -2.335 -10.659 -10.191 1.00 0.00 O ATOM 1192 ND2 ASN A 244 -1.064 -12.017 -9.049 1.00 0.00 N ATOM 0 H ASN A 244 -2.410 -7.616 -7.893 1.00 0.00 H new ATOM 0 HA ASN A 244 -3.886 -10.096 -8.270 1.00 0.00 H new ATOM 0 HB2 ASN A 244 -1.211 -8.994 -8.287 1.00 0.00 H new ATOM 0 HB3 ASN A 244 -1.204 -10.327 -7.149 1.00 0.00 H new ATOM 0 HD21 ASN A 244 -1.054 -12.687 -9.818 1.00 0.00 H new ATOM 0 HD22 ASN A 244 -0.555 -12.220 -8.189 1.00 0.00 H new ATOM 1199 N TYR A 245 -3.262 -9.167 -5.227 1.00 0.00 N ATOM 1200 CA TYR A 245 -3.546 -9.531 -3.818 1.00 0.00 C ATOM 1201 C TYR A 245 -5.045 -9.404 -3.565 1.00 0.00 C ATOM 1202 O TYR A 245 -5.630 -10.156 -2.817 1.00 0.00 O ATOM 1203 CB TYR A 245 -2.774 -8.514 -2.977 1.00 0.00 C ATOM 1204 CG TYR A 245 -3.272 -8.574 -1.555 1.00 0.00 C ATOM 1205 CD1 TYR A 245 -2.807 -9.574 -0.696 1.00 0.00 C ATOM 1206 CD2 TYR A 245 -4.203 -7.634 -1.099 1.00 0.00 C ATOM 1207 CE1 TYR A 245 -3.274 -9.636 0.621 1.00 0.00 C ATOM 1208 CE2 TYR A 245 -4.669 -7.695 0.218 1.00 0.00 C ATOM 1209 CZ TYR A 245 -4.204 -8.697 1.079 1.00 0.00 C ATOM 1210 OH TYR A 245 -4.663 -8.760 2.378 1.00 0.00 O ATOM 0 H TYR A 245 -2.904 -8.222 -5.367 1.00 0.00 H new ATOM 0 HA TYR A 245 -3.252 -10.553 -3.577 1.00 0.00 H new ATOM 0 HB2 TYR A 245 -1.706 -8.730 -3.011 1.00 0.00 H new ATOM 0 HB3 TYR A 245 -2.909 -7.511 -3.381 1.00 0.00 H new ATOM 0 HD1 TYR A 245 -2.088 -10.298 -1.049 1.00 0.00 H new ATOM 0 HD2 TYR A 245 -4.561 -6.862 -1.764 1.00 0.00 H new ATOM 0 HE1 TYR A 245 -2.916 -10.409 1.285 1.00 0.00 H new ATOM 0 HE2 TYR A 245 -5.387 -6.970 0.571 1.00 0.00 H new ATOM 0 HH TYR A 245 -5.597 -8.464 2.410 1.00 0.00 H new ATOM 1220 N CYS A 246 -5.672 -8.454 -4.199 1.00 0.00 N ATOM 1221 CA CYS A 246 -7.133 -8.277 -4.009 1.00 0.00 C ATOM 1222 C CYS A 246 -7.871 -9.435 -4.670 1.00 0.00 C ATOM 1223 O CYS A 246 -8.893 -9.884 -4.201 1.00 0.00 O ATOM 1224 CB CYS A 246 -7.469 -6.955 -4.700 1.00 0.00 C ATOM 1225 SG CYS A 246 -7.229 -5.592 -3.534 1.00 0.00 S ATOM 0 H CYS A 246 -5.234 -7.793 -4.840 1.00 0.00 H new ATOM 0 HA CYS A 246 -7.424 -8.262 -2.959 1.00 0.00 H new ATOM 0 HB2 CYS A 246 -6.833 -6.817 -5.574 1.00 0.00 H new ATOM 0 HB3 CYS A 246 -8.500 -6.968 -5.054 1.00 0.00 H new ATOM 0 HG CYS A 246 -7.512 -4.466 -4.119 1.00 0.00 H new ATOM 1231 N LYS A 247 -7.353 -9.930 -5.755 1.00 0.00 N ATOM 1232 CA LYS A 247 -8.019 -11.066 -6.440 1.00 0.00 C ATOM 1233 C LYS A 247 -7.631 -12.376 -5.744 1.00 0.00 C ATOM 1234 O LYS A 247 -8.341 -13.360 -5.806 1.00 0.00 O ATOM 1235 CB LYS A 247 -7.514 -10.991 -7.895 1.00 0.00 C ATOM 1236 CG LYS A 247 -6.927 -12.332 -8.354 1.00 0.00 C ATOM 1237 CD LYS A 247 -6.952 -12.401 -9.883 1.00 0.00 C ATOM 1238 CE LYS A 247 -6.616 -13.824 -10.334 1.00 0.00 C ATOM 1239 NZ LYS A 247 -5.921 -13.659 -11.641 1.00 0.00 N ATOM 0 H LYS A 247 -6.496 -9.597 -6.197 1.00 0.00 H new ATOM 0 HA LYS A 247 -9.108 -11.023 -6.410 1.00 0.00 H new ATOM 0 HB2 LYS A 247 -8.336 -10.708 -8.553 1.00 0.00 H new ATOM 0 HB3 LYS A 247 -6.756 -10.212 -7.979 1.00 0.00 H new ATOM 0 HG2 LYS A 247 -5.905 -12.437 -7.991 1.00 0.00 H new ATOM 0 HG3 LYS A 247 -7.502 -13.157 -7.932 1.00 0.00 H new ATOM 0 HD2 LYS A 247 -7.935 -12.113 -10.255 1.00 0.00 H new ATOM 0 HD3 LYS A 247 -6.234 -11.696 -10.301 1.00 0.00 H new ATOM 0 HE2 LYS A 247 -5.978 -14.328 -9.608 1.00 0.00 H new ATOM 0 HE3 LYS A 247 -7.517 -14.428 -10.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 247 -5.658 -14.593 -12.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 247 -6.555 -13.183 -12.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 247 -5.063 -13.086 -11.508 1.00 0.00 H new ATOM 1253 N GLN A 248 -6.516 -12.387 -5.069 1.00 0.00 N ATOM 1254 CA GLN A 248 -6.091 -13.621 -4.356 1.00 0.00 C ATOM 1255 C GLN A 248 -6.586 -13.574 -2.911 1.00 0.00 C ATOM 1256 O GLN A 248 -6.488 -14.537 -2.177 1.00 0.00 O ATOM 1257 CB GLN A 248 -4.562 -13.604 -4.401 1.00 0.00 C ATOM 1258 CG GLN A 248 -4.033 -15.040 -4.382 1.00 0.00 C ATOM 1259 CD GLN A 248 -4.344 -15.714 -5.719 1.00 0.00 C ATOM 1260 OE1 GLN A 248 -4.341 -15.072 -6.751 1.00 0.00 O ATOM 1261 NE2 GLN A 248 -4.612 -16.991 -5.747 1.00 0.00 N ATOM 0 H GLN A 248 -5.881 -11.594 -4.981 1.00 0.00 H new ATOM 0 HA GLN A 248 -6.496 -14.526 -4.809 1.00 0.00 H new ATOM 0 HB2 GLN A 248 -4.220 -13.091 -5.300 1.00 0.00 H new ATOM 0 HB3 GLN A 248 -4.169 -13.049 -3.549 1.00 0.00 H new ATOM 0 HG2 GLN A 248 -2.958 -15.041 -4.203 1.00 0.00 H new ATOM 0 HG3 GLN A 248 -4.492 -15.598 -3.566 1.00 0.00 H new ATOM 0 HE21 GLN A 248 -4.615 -17.531 -4.881 1.00 0.00 H new ATOM 0 HE22 GLN A 248 -4.819 -17.449 -6.634 1.00 0.00 H new ATOM 1270 N PHE A 249 -7.119 -12.455 -2.495 1.00 0.00 N ATOM 1271 CA PHE A 249 -7.617 -12.348 -1.096 1.00 0.00 C ATOM 1272 C PHE A 249 -8.983 -11.652 -1.041 1.00 0.00 C ATOM 1273 O PHE A 249 -9.696 -11.763 -0.064 1.00 0.00 O ATOM 1274 CB PHE A 249 -6.568 -11.512 -0.361 1.00 0.00 C ATOM 1275 CG PHE A 249 -5.308 -12.325 -0.187 1.00 0.00 C ATOM 1276 CD1 PHE A 249 -5.176 -13.175 0.917 1.00 0.00 C ATOM 1277 CD2 PHE A 249 -4.273 -12.233 -1.126 1.00 0.00 C ATOM 1278 CE1 PHE A 249 -4.011 -13.932 1.083 1.00 0.00 C ATOM 1279 CE2 PHE A 249 -3.107 -12.991 -0.961 1.00 0.00 C ATOM 1280 CZ PHE A 249 -2.976 -13.841 0.144 1.00 0.00 C ATOM 0 H PHE A 249 -7.230 -11.615 -3.063 1.00 0.00 H new ATOM 0 HA PHE A 249 -7.755 -13.332 -0.647 1.00 0.00 H new ATOM 0 HB2 PHE A 249 -6.352 -10.603 -0.923 1.00 0.00 H new ATOM 0 HB3 PHE A 249 -6.951 -11.202 0.611 1.00 0.00 H new ATOM 0 HD1 PHE A 249 -5.974 -13.247 1.641 1.00 0.00 H new ATOM 0 HD2 PHE A 249 -4.374 -11.577 -1.978 1.00 0.00 H new ATOM 0 HE1 PHE A 249 -3.910 -14.587 1.936 1.00 0.00 H new ATOM 0 HE2 PHE A 249 -2.309 -12.920 -1.686 1.00 0.00 H new ATOM 0 HZ PHE A 249 -2.077 -14.426 0.272 1.00 0.00 H new ATOM 1290 N ILE A 250 -9.364 -10.931 -2.065 1.00 0.00 N ATOM 1291 CA ILE A 250 -10.688 -10.243 -2.015 1.00 0.00 C ATOM 1292 C ILE A 250 -11.574 -10.672 -3.193 1.00 0.00 C ATOM 1293 O ILE A 250 -12.784 -10.667 -3.101 1.00 0.00 O ATOM 1294 CB ILE A 250 -10.359 -8.745 -2.078 1.00 0.00 C ATOM 1295 CG1 ILE A 250 -10.036 -8.242 -0.670 1.00 0.00 C ATOM 1296 CG2 ILE A 250 -11.557 -7.966 -2.620 1.00 0.00 C ATOM 1297 CD1 ILE A 250 -8.589 -7.745 -0.621 1.00 0.00 C ATOM 0 H ILE A 250 -8.825 -10.791 -2.920 1.00 0.00 H new ATOM 0 HA ILE A 250 -11.248 -10.495 -1.115 1.00 0.00 H new ATOM 0 HB ILE A 250 -9.504 -8.596 -2.737 1.00 0.00 H new ATOM 0 HG12 ILE A 250 -10.717 -7.437 -0.396 1.00 0.00 H new ATOM 0 HG13 ILE A 250 -10.181 -9.043 0.055 1.00 0.00 H new ATOM 0 HG21 ILE A 250 -11.313 -6.905 -2.660 1.00 0.00 H new ATOM 0 HG22 ILE A 250 -11.799 -8.321 -3.622 1.00 0.00 H new ATOM 0 HG23 ILE A 250 -12.415 -8.116 -1.965 1.00 0.00 H new ATOM 0 HD11 ILE A 250 -8.361 -7.387 0.383 1.00 0.00 H new ATOM 0 HD12 ILE A 250 -7.915 -8.562 -0.877 1.00 0.00 H new ATOM 0 HD13 ILE A 250 -8.459 -6.931 -1.334 1.00 0.00 H new ATOM 1309 N ILE A 251 -10.991 -11.043 -4.296 1.00 0.00 N ATOM 1310 CA ILE A 251 -11.821 -11.466 -5.463 1.00 0.00 C ATOM 1311 C ILE A 251 -11.340 -12.824 -5.982 1.00 0.00 C ATOM 1312 O ILE A 251 -10.926 -13.676 -5.223 1.00 0.00 O ATOM 1313 CB ILE A 251 -11.629 -10.379 -6.532 1.00 0.00 C ATOM 1314 CG1 ILE A 251 -11.423 -9.013 -5.867 1.00 0.00 C ATOM 1315 CG2 ILE A 251 -12.873 -10.319 -7.416 1.00 0.00 C ATOM 1316 CD1 ILE A 251 -11.144 -7.959 -6.941 1.00 0.00 C ATOM 0 H ILE A 251 -9.982 -11.073 -4.443 1.00 0.00 H new ATOM 0 HA ILE A 251 -12.872 -11.576 -5.196 1.00 0.00 H new ATOM 0 HB ILE A 251 -10.752 -10.622 -7.132 1.00 0.00 H new ATOM 0 HG12 ILE A 251 -12.309 -8.738 -5.294 1.00 0.00 H new ATOM 0 HG13 ILE A 251 -10.591 -9.061 -5.164 1.00 0.00 H new ATOM 0 HG21 ILE A 251 -12.742 -9.549 -8.176 1.00 0.00 H new ATOM 0 HG22 ILE A 251 -13.023 -11.285 -7.899 1.00 0.00 H new ATOM 0 HG23 ILE A 251 -13.743 -10.080 -6.804 1.00 0.00 H new ATOM 0 HD11 ILE A 251 -10.998 -6.988 -6.468 1.00 0.00 H new ATOM 0 HD12 ILE A 251 -10.246 -8.232 -7.494 1.00 0.00 H new ATOM 0 HD13 ILE A 251 -11.990 -7.905 -7.626 1.00 0.00 H new