USER MOD reduce.3.24.130724 H: found=0, std=0, add=372, rem=0, adj=8 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 -159:sc= -1.69! USER MOD Set 1.2: A 246 CYS SG : rot 13:sc= -2.9 USER MOD Set 2.1: A 229 THR OG1 : rot 180:sc= 0.00792 USER MOD Set 2.2: A 232 SER OG : rot 104:sc= 0.00706 USER MOD Set 3.1: A 184 ASN : amide:sc= -0.283 K(o=-8.4,f=-10!) USER MOD Set 3.2: A 185 HIS : no HD1:sc= -4.84! C(o=-8.4!,f=-24!) USER MOD Set 3.3: A 245 TYR OH : rot 21:sc= -3.24! USER MOD Single : A 210 ASN : amide:sc= -0.0302 K(o=-0.03,f=-0.7) 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 :FLIP amide:sc= -0.195 F(o=-1.2,f=-0.2) USER MOD Single : A 226 THR OG1 : rot -77:sc= 1.32 USER MOD Single : A 235 GLN : amide:sc= -0.122 K(o=-0.12,f=-0.84) USER MOD Single : A 240 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 244 ASN : amide:sc= -0.19 K(o=-0.19,f=-0.72) USER MOD Single : A 247 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 248 GLN : amide:sc= 0 X(o=0,f=-0.099) USER MOD ----------------------------------------------------------------- ATOM 105 N ILE A 179 5.950 -1.146 -3.943 1.00 0.00 N ATOM 106 CA ILE A 179 5.324 -2.165 -3.054 1.00 0.00 C ATOM 107 C ILE A 179 6.019 -3.521 -3.235 1.00 0.00 C ATOM 108 O ILE A 179 6.094 -4.046 -4.328 1.00 0.00 O ATOM 109 CB ILE A 179 3.845 -2.203 -3.493 1.00 0.00 C ATOM 110 CG1 ILE A 179 2.956 -2.163 -2.255 1.00 0.00 C ATOM 111 CG2 ILE A 179 3.526 -3.474 -4.289 1.00 0.00 C ATOM 112 CD1 ILE A 179 1.488 -2.248 -2.680 1.00 0.00 C ATOM 0 HA ILE A 179 5.415 -1.927 -1.994 1.00 0.00 H new ATOM 0 HB ILE A 179 3.660 -1.340 -4.133 1.00 0.00 H new ATOM 0 HG12 ILE A 179 3.202 -2.991 -1.590 1.00 0.00 H new ATOM 0 HG13 ILE A 179 3.132 -1.243 -1.697 1.00 0.00 H new ATOM 0 HG21 ILE A 179 2.476 -3.466 -4.581 1.00 0.00 H new ATOM 0 HG22 ILE A 179 4.151 -3.511 -5.181 1.00 0.00 H new ATOM 0 HG23 ILE A 179 3.724 -4.350 -3.671 1.00 0.00 H new ATOM 0 HD11 ILE A 179 0.851 -2.220 -1.796 1.00 0.00 H new ATOM 0 HD12 ILE A 179 1.247 -1.405 -3.328 1.00 0.00 H new ATOM 0 HD13 ILE A 179 1.319 -3.180 -3.219 1.00 0.00 H new ATOM 124 N ASP A 180 6.518 -4.098 -2.176 1.00 0.00 N ATOM 125 CA ASP A 180 7.191 -5.419 -2.312 1.00 0.00 C ATOM 126 C ASP A 180 6.161 -6.535 -2.181 1.00 0.00 C ATOM 127 O ASP A 180 6.126 -7.455 -2.973 1.00 0.00 O ATOM 128 CB ASP A 180 8.203 -5.484 -1.166 1.00 0.00 C ATOM 129 CG ASP A 180 9.403 -6.331 -1.594 1.00 0.00 C ATOM 130 OD1 ASP A 180 10.138 -5.888 -2.460 1.00 0.00 O ATOM 131 OD2 ASP A 180 9.567 -7.409 -1.045 1.00 0.00 O ATOM 0 H ASP A 180 6.489 -3.715 -1.231 1.00 0.00 H new ATOM 0 HA ASP A 180 7.678 -5.537 -3.280 1.00 0.00 H new ATOM 0 HB2 ASP A 180 8.530 -4.479 -0.898 1.00 0.00 H new ATOM 0 HB3 ASP A 180 7.738 -5.915 -0.279 1.00 0.00 H new ATOM 136 N ILE A 181 5.321 -6.465 -1.186 1.00 0.00 N ATOM 137 CA ILE A 181 4.303 -7.533 -1.007 1.00 0.00 C ATOM 138 C ILE A 181 3.146 -7.048 -0.130 1.00 0.00 C ATOM 139 O ILE A 181 3.335 -6.312 0.816 1.00 0.00 O ATOM 140 CB ILE A 181 5.057 -8.647 -0.284 1.00 0.00 C ATOM 141 CG1 ILE A 181 5.995 -9.364 -1.255 1.00 0.00 C ATOM 142 CG2 ILE A 181 4.061 -9.654 0.298 1.00 0.00 C ATOM 143 CD1 ILE A 181 6.536 -10.626 -0.585 1.00 0.00 C ATOM 0 H ILE A 181 5.296 -5.717 -0.493 1.00 0.00 H new ATOM 0 HA ILE A 181 3.869 -7.847 -1.957 1.00 0.00 H new ATOM 0 HB ILE A 181 5.644 -8.207 0.522 1.00 0.00 H new ATOM 0 HG12 ILE A 181 5.463 -9.623 -2.170 1.00 0.00 H new ATOM 0 HG13 ILE A 181 6.817 -8.707 -1.539 1.00 0.00 H new ATOM 0 HG21 ILE A 181 4.604 -10.447 0.813 1.00 0.00 H new ATOM 0 HG22 ILE A 181 3.402 -9.148 1.004 1.00 0.00 H new ATOM 0 HG23 ILE A 181 3.467 -10.085 -0.508 1.00 0.00 H new ATOM 0 HD11 ILE A 181 7.206 -11.144 -1.271 1.00 0.00 H new ATOM 0 HD12 ILE A 181 7.082 -10.353 0.318 1.00 0.00 H new ATOM 0 HD13 ILE A 181 5.707 -11.283 -0.323 1.00 0.00 H new ATOM 155 N VAL A 182 1.954 -7.487 -0.416 1.00 0.00 N ATOM 156 CA VAL A 182 0.790 -7.088 0.422 1.00 0.00 C ATOM 157 C VAL A 182 0.601 -8.138 1.521 1.00 0.00 C ATOM 158 O VAL A 182 -0.031 -9.157 1.322 1.00 0.00 O ATOM 159 CB VAL A 182 -0.398 -7.068 -0.538 1.00 0.00 C ATOM 160 CG1 VAL A 182 -1.625 -6.501 0.177 1.00 0.00 C ATOM 161 CG2 VAL A 182 -0.054 -6.189 -1.740 1.00 0.00 C ATOM 0 H VAL A 182 1.734 -8.107 -1.196 1.00 0.00 H new ATOM 0 HA VAL A 182 0.913 -6.121 0.909 1.00 0.00 H new ATOM 0 HB VAL A 182 -0.616 -8.082 -0.874 1.00 0.00 H new ATOM 0 HG11 VAL A 182 -2.472 -6.487 -0.509 1.00 0.00 H new ATOM 0 HG12 VAL A 182 -1.865 -7.125 1.038 1.00 0.00 H new ATOM 0 HG13 VAL A 182 -1.414 -5.486 0.513 1.00 0.00 H new ATOM 0 HG21 VAL A 182 -0.898 -6.170 -2.430 1.00 0.00 H new ATOM 0 HG22 VAL A 182 0.160 -5.176 -1.400 1.00 0.00 H new ATOM 0 HG23 VAL A 182 0.821 -6.594 -2.248 1.00 0.00 H new ATOM 171 N ILE A 183 1.176 -7.907 2.670 1.00 0.00 N ATOM 172 CA ILE A 183 1.073 -8.897 3.784 1.00 0.00 C ATOM 173 C ILE A 183 -0.387 -9.218 4.117 1.00 0.00 C ATOM 174 O ILE A 183 -0.722 -10.335 4.455 1.00 0.00 O ATOM 175 CB ILE A 183 1.753 -8.214 4.968 1.00 0.00 C ATOM 176 CG1 ILE A 183 3.199 -7.878 4.600 1.00 0.00 C ATOM 177 CG2 ILE A 183 1.745 -9.150 6.176 1.00 0.00 C ATOM 178 CD1 ILE A 183 3.867 -9.106 3.978 1.00 0.00 C ATOM 0 H ILE A 183 1.717 -7.070 2.888 1.00 0.00 H new ATOM 0 HA ILE A 183 1.537 -9.848 3.523 1.00 0.00 H new ATOM 0 HB ILE A 183 1.214 -7.299 5.214 1.00 0.00 H new ATOM 0 HG12 ILE A 183 3.222 -7.044 3.899 1.00 0.00 H new ATOM 0 HG13 ILE A 183 3.747 -7.563 5.488 1.00 0.00 H new ATOM 0 HG21 ILE A 183 2.231 -8.660 7.019 1.00 0.00 H new ATOM 0 HG22 ILE A 183 0.716 -9.393 6.441 1.00 0.00 H new ATOM 0 HG23 ILE A 183 2.282 -10.066 5.930 1.00 0.00 H new ATOM 0 HD11 ILE A 183 4.897 -8.866 3.716 1.00 0.00 H new ATOM 0 HD12 ILE A 183 3.857 -9.928 4.694 1.00 0.00 H new ATOM 0 HD13 ILE A 183 3.323 -9.400 3.080 1.00 0.00 H new ATOM 190 N ASN A 184 -1.256 -8.253 4.036 1.00 0.00 N ATOM 191 CA ASN A 184 -2.686 -8.518 4.365 1.00 0.00 C ATOM 192 C ASN A 184 -3.517 -7.250 4.159 1.00 0.00 C ATOM 193 O ASN A 184 -3.054 -6.281 3.592 1.00 0.00 O ATOM 194 CB ASN A 184 -2.682 -8.923 5.839 1.00 0.00 C ATOM 195 CG ASN A 184 -3.480 -10.216 6.016 1.00 0.00 C ATOM 196 OD1 ASN A 184 -4.177 -10.642 5.116 1.00 0.00 O ATOM 197 ND2 ASN A 184 -3.407 -10.864 7.148 1.00 0.00 N ATOM 0 H ASN A 184 -1.042 -7.295 3.758 1.00 0.00 H new ATOM 0 HA ASN A 184 -3.122 -9.290 3.731 1.00 0.00 H new ATOM 0 HB2 ASN A 184 -1.658 -9.065 6.185 1.00 0.00 H new ATOM 0 HB3 ASN A 184 -3.117 -8.129 6.446 1.00 0.00 H new ATOM 0 HD21 ASN A 184 -3.935 -11.727 7.276 1.00 0.00 H new ATOM 0 HD22 ASN A 184 -2.822 -10.507 7.903 1.00 0.00 H new ATOM 204 N HIS A 185 -4.741 -7.244 4.613 1.00 0.00 N ATOM 205 CA HIS A 185 -5.585 -6.030 4.432 1.00 0.00 C ATOM 206 C HIS A 185 -6.855 -6.121 5.286 1.00 0.00 C ATOM 207 O HIS A 185 -7.088 -7.097 5.971 1.00 0.00 O ATOM 208 CB HIS A 185 -5.933 -6.021 2.939 1.00 0.00 C ATOM 209 CG HIS A 185 -7.073 -6.970 2.674 1.00 0.00 C ATOM 210 ND1 HIS A 185 -6.883 -8.330 2.499 1.00 0.00 N ATOM 211 CD2 HIS A 185 -8.424 -6.764 2.564 1.00 0.00 C ATOM 212 CE1 HIS A 185 -8.091 -8.886 2.297 1.00 0.00 C ATOM 213 NE2 HIS A 185 -9.067 -7.975 2.327 1.00 0.00 N ATOM 0 H HIS A 185 -5.190 -8.021 5.098 1.00 0.00 H new ATOM 0 HA HIS A 185 -5.072 -5.119 4.742 1.00 0.00 H new ATOM 0 HB2 HIS A 185 -6.207 -5.013 2.626 1.00 0.00 H new ATOM 0 HB3 HIS A 185 -5.062 -6.312 2.352 1.00 0.00 H new ATOM 0 HD2 HIS A 185 -8.915 -5.806 2.649 1.00 0.00 H new ATOM 0 HE1 HIS A 185 -8.252 -9.941 2.131 1.00 0.00 H new ATOM 0 HE2 HIS A 185 -10.067 -8.133 2.203 1.00 0.00 H new ATOM 221 N ARG A 186 -7.678 -5.109 5.237 1.00 0.00 N ATOM 222 CA ARG A 186 -8.941 -5.122 6.031 1.00 0.00 C ATOM 223 C ARG A 186 -9.628 -3.757 5.941 1.00 0.00 C ATOM 224 O ARG A 186 -9.071 -2.804 5.431 1.00 0.00 O ATOM 225 CB ARG A 186 -8.514 -5.419 7.470 1.00 0.00 C ATOM 226 CG ARG A 186 -7.276 -4.592 7.821 1.00 0.00 C ATOM 227 CD ARG A 186 -7.529 -3.830 9.125 1.00 0.00 C ATOM 228 NE ARG A 186 -6.438 -2.820 9.196 1.00 0.00 N ATOM 229 CZ ARG A 186 -6.136 -2.265 10.337 1.00 0.00 C ATOM 230 NH1 ARG A 186 -5.249 -2.817 11.118 1.00 0.00 N ATOM 231 NH2 ARG A 186 -6.723 -1.156 10.698 1.00 0.00 N ATOM 0 H ARG A 186 -7.529 -4.269 4.678 1.00 0.00 H new ATOM 0 HA ARG A 186 -9.651 -5.863 5.664 1.00 0.00 H new ATOM 0 HB2 ARG A 186 -9.327 -5.184 8.157 1.00 0.00 H new ATOM 0 HB3 ARG A 186 -8.298 -6.481 7.584 1.00 0.00 H new ATOM 0 HG2 ARG A 186 -6.408 -5.243 7.929 1.00 0.00 H new ATOM 0 HG3 ARG A 186 -7.051 -3.893 7.016 1.00 0.00 H new ATOM 0 HD2 ARG A 186 -8.509 -3.353 9.120 1.00 0.00 H new ATOM 0 HD3 ARG A 186 -7.504 -4.499 9.985 1.00 0.00 H new ATOM 0 HE ARG A 186 -5.926 -2.562 8.352 1.00 0.00 H new ATOM 0 HH11 ARG A 186 -4.791 -3.684 10.837 1.00 0.00 H new ATOM 0 HH12 ARG A 186 -5.014 -2.382 12.010 1.00 0.00 H new ATOM 0 HH21 ARG A 186 -7.417 -0.724 10.088 1.00 0.00 H new ATOM 0 HH22 ARG A 186 -6.487 -0.721 11.590 1.00 0.00 H new ATOM 612 N ASN A 210 -13.175 1.320 0.492 1.00 0.00 N ATOM 613 CA ASN A 210 -13.170 1.299 1.985 1.00 0.00 C ATOM 614 C ASN A 210 -12.364 0.105 2.504 1.00 0.00 C ATOM 615 O ASN A 210 -12.904 -0.817 3.083 1.00 0.00 O ATOM 616 CB ASN A 210 -14.640 1.169 2.386 1.00 0.00 C ATOM 617 CG ASN A 210 -15.283 2.557 2.412 1.00 0.00 C ATOM 618 OD1 ASN A 210 -14.708 3.496 2.923 1.00 0.00 O ATOM 619 ND2 ASN A 210 -16.461 2.727 1.878 1.00 0.00 N ATOM 0 HA ASN A 210 -12.709 2.193 2.404 1.00 0.00 H new ATOM 0 HB2 ASN A 210 -15.166 0.526 1.680 1.00 0.00 H new ATOM 0 HB3 ASN A 210 -14.721 0.700 3.367 1.00 0.00 H new ATOM 0 HD21 ASN A 210 -16.898 3.648 1.890 1.00 0.00 H new ATOM 0 HD22 ASN A 210 -16.945 1.938 1.448 1.00 0.00 H new ATOM 626 N TYR A 211 -11.075 0.114 2.302 1.00 0.00 N ATOM 627 CA TYR A 211 -10.241 -1.023 2.787 1.00 0.00 C ATOM 628 C TYR A 211 -8.763 -0.631 2.851 1.00 0.00 C ATOM 629 O TYR A 211 -8.249 0.050 1.986 1.00 0.00 O ATOM 630 CB TYR A 211 -10.436 -2.124 1.751 1.00 0.00 C ATOM 631 CG TYR A 211 -11.315 -3.216 2.315 1.00 0.00 C ATOM 632 CD1 TYR A 211 -10.750 -4.240 3.086 1.00 0.00 C ATOM 633 CD2 TYR A 211 -12.691 -3.211 2.058 1.00 0.00 C ATOM 634 CE1 TYR A 211 -11.562 -5.257 3.601 1.00 0.00 C ATOM 635 CE2 TYR A 211 -13.502 -4.230 2.570 1.00 0.00 C ATOM 636 CZ TYR A 211 -12.938 -5.252 3.343 1.00 0.00 C ATOM 637 OH TYR A 211 -13.739 -6.257 3.848 1.00 0.00 O ATOM 0 H TYR A 211 -10.564 0.856 1.824 1.00 0.00 H new ATOM 0 HA TYR A 211 -10.531 -1.332 3.791 1.00 0.00 H new ATOM 0 HB2 TYR A 211 -10.889 -1.710 0.850 1.00 0.00 H new ATOM 0 HB3 TYR A 211 -9.470 -2.537 1.461 1.00 0.00 H new ATOM 0 HD1 TYR A 211 -9.688 -4.245 3.283 1.00 0.00 H new ATOM 0 HD2 TYR A 211 -13.127 -2.421 1.465 1.00 0.00 H new ATOM 0 HE1 TYR A 211 -11.127 -6.045 4.197 1.00 0.00 H new ATOM 0 HE2 TYR A 211 -14.563 -4.228 2.369 1.00 0.00 H new ATOM 0 HH TYR A 211 -14.668 -6.102 3.577 1.00 0.00 H new ATOM 647 N GLU A 212 -8.072 -1.084 3.860 1.00 0.00 N ATOM 648 CA GLU A 212 -6.621 -0.773 3.976 1.00 0.00 C ATOM 649 C GLU A 212 -5.826 -2.004 3.539 1.00 0.00 C ATOM 650 O GLU A 212 -6.391 -3.045 3.273 1.00 0.00 O ATOM 651 CB GLU A 212 -6.394 -0.478 5.460 1.00 0.00 C ATOM 652 CG GLU A 212 -6.044 0.999 5.640 1.00 0.00 C ATOM 653 CD GLU A 212 -5.916 1.320 7.130 1.00 0.00 C ATOM 654 OE1 GLU A 212 -6.743 0.846 7.891 1.00 0.00 O ATOM 655 OE2 GLU A 212 -4.990 2.032 7.485 1.00 0.00 O ATOM 0 H GLU A 212 -8.452 -1.659 4.612 1.00 0.00 H new ATOM 0 HA GLU A 212 -6.307 0.067 3.356 1.00 0.00 H new ATOM 0 HB2 GLU A 212 -7.290 -0.722 6.031 1.00 0.00 H new ATOM 0 HB3 GLU A 212 -5.589 -1.103 5.847 1.00 0.00 H new ATOM 0 HG2 GLU A 212 -5.109 1.226 5.127 1.00 0.00 H new ATOM 0 HG3 GLU A 212 -6.815 1.623 5.188 1.00 0.00 H new ATOM 662 N PHE A 213 -4.532 -1.908 3.456 1.00 0.00 N ATOM 663 CA PHE A 213 -3.740 -3.096 3.028 1.00 0.00 C ATOM 664 C PHE A 213 -2.354 -3.082 3.671 1.00 0.00 C ATOM 665 O PHE A 213 -1.623 -2.119 3.554 1.00 0.00 O ATOM 666 CB PHE A 213 -3.592 -2.954 1.513 1.00 0.00 C ATOM 667 CG PHE A 213 -4.914 -3.202 0.829 1.00 0.00 C ATOM 668 CD1 PHE A 213 -5.828 -2.155 0.672 1.00 0.00 C ATOM 669 CD2 PHE A 213 -5.218 -4.477 0.340 1.00 0.00 C ATOM 670 CE1 PHE A 213 -7.048 -2.382 0.024 1.00 0.00 C ATOM 671 CE2 PHE A 213 -6.438 -4.705 -0.306 1.00 0.00 C ATOM 672 CZ PHE A 213 -7.353 -3.658 -0.464 1.00 0.00 C ATOM 0 H PHE A 213 -3.990 -1.069 3.663 1.00 0.00 H new ATOM 0 HA PHE A 213 -4.229 -4.025 3.321 1.00 0.00 H new ATOM 0 HB2 PHE A 213 -3.231 -1.955 1.269 1.00 0.00 H new ATOM 0 HB3 PHE A 213 -2.848 -3.661 1.146 1.00 0.00 H new ATOM 0 HD1 PHE A 213 -5.593 -1.171 1.051 1.00 0.00 H new ATOM 0 HD2 PHE A 213 -4.511 -5.285 0.461 1.00 0.00 H new ATOM 0 HE1 PHE A 213 -7.753 -1.573 -0.099 1.00 0.00 H new ATOM 0 HE2 PHE A 213 -6.674 -5.689 -0.683 1.00 0.00 H new ATOM 0 HZ PHE A 213 -8.295 -3.835 -0.963 1.00 0.00 H new ATOM 682 N LEU A 214 -1.965 -4.145 4.319 1.00 0.00 N ATOM 683 CA LEU A 214 -0.603 -4.163 4.915 1.00 0.00 C ATOM 684 C LEU A 214 0.398 -4.246 3.777 1.00 0.00 C ATOM 685 O LEU A 214 0.477 -5.235 3.074 1.00 0.00 O ATOM 686 CB LEU A 214 -0.543 -5.416 5.787 1.00 0.00 C ATOM 687 CG LEU A 214 0.666 -5.376 6.735 1.00 0.00 C ATOM 688 CD1 LEU A 214 0.941 -3.955 7.229 1.00 0.00 C ATOM 689 CD2 LEU A 214 0.378 -6.279 7.933 1.00 0.00 C ATOM 0 H LEU A 214 -2.522 -4.988 4.460 1.00 0.00 H new ATOM 0 HA LEU A 214 -0.380 -3.277 5.510 1.00 0.00 H new ATOM 0 HB2 LEU A 214 -1.461 -5.502 6.368 1.00 0.00 H new ATOM 0 HB3 LEU A 214 -0.482 -6.301 5.153 1.00 0.00 H new ATOM 0 HG LEU A 214 1.546 -5.721 6.192 1.00 0.00 H new ATOM 0 HD11 LEU A 214 1.802 -3.962 7.897 1.00 0.00 H new ATOM 0 HD12 LEU A 214 1.148 -3.307 6.377 1.00 0.00 H new ATOM 0 HD13 LEU A 214 0.069 -3.581 7.765 1.00 0.00 H new ATOM 0 HD21 LEU A 214 1.228 -6.261 8.615 1.00 0.00 H new ATOM 0 HD22 LEU A 214 -0.512 -5.922 8.452 1.00 0.00 H new ATOM 0 HD23 LEU A 214 0.212 -7.299 7.588 1.00 0.00 H new ATOM 701 N ILE A 215 1.128 -3.202 3.556 1.00 0.00 N ATOM 702 CA ILE A 215 2.083 -3.206 2.425 1.00 0.00 C ATOM 703 C ILE A 215 3.509 -3.527 2.870 1.00 0.00 C ATOM 704 O ILE A 215 4.174 -2.716 3.480 1.00 0.00 O ATOM 705 CB ILE A 215 2.026 -1.788 1.880 1.00 0.00 C ATOM 706 CG1 ILE A 215 0.571 -1.337 1.737 1.00 0.00 C ATOM 707 CG2 ILE A 215 2.712 -1.756 0.523 1.00 0.00 C ATOM 708 CD1 ILE A 215 -0.187 -2.319 0.849 1.00 0.00 C ATOM 0 H ILE A 215 1.107 -2.345 4.108 1.00 0.00 H new ATOM 0 HA ILE A 215 1.819 -3.969 1.692 1.00 0.00 H new ATOM 0 HB ILE A 215 2.533 -1.111 2.568 1.00 0.00 H new ATOM 0 HG12 ILE A 215 0.100 -1.281 2.718 1.00 0.00 H new ATOM 0 HG13 ILE A 215 0.531 -0.337 1.306 1.00 0.00 H new ATOM 0 HG21 ILE A 215 2.677 -0.743 0.122 1.00 0.00 H new ATOM 0 HG22 ILE A 215 3.751 -2.068 0.633 1.00 0.00 H new ATOM 0 HG23 ILE A 215 2.200 -2.434 -0.160 1.00 0.00 H new ATOM 0 HD11 ILE A 215 -1.223 -1.995 0.749 1.00 0.00 H new ATOM 0 HD12 ILE A 215 0.279 -2.353 -0.136 1.00 0.00 H new ATOM 0 HD13 ILE A 215 -0.159 -3.312 1.298 1.00 0.00 H new ATOM 720 N LYS A 216 4.002 -4.687 2.532 1.00 0.00 N ATOM 721 CA LYS A 216 5.408 -5.019 2.897 1.00 0.00 C ATOM 722 C LYS A 216 6.346 -4.259 1.953 1.00 0.00 C ATOM 723 O LYS A 216 6.575 -4.671 0.833 1.00 0.00 O ATOM 724 CB LYS A 216 5.561 -6.531 2.692 1.00 0.00 C ATOM 725 CG LYS A 216 7.049 -6.894 2.699 1.00 0.00 C ATOM 726 CD LYS A 216 7.213 -8.399 2.480 1.00 0.00 C ATOM 727 CE LYS A 216 8.497 -8.877 3.165 1.00 0.00 C ATOM 728 NZ LYS A 216 9.509 -8.968 2.075 1.00 0.00 N ATOM 0 H LYS A 216 3.497 -5.413 2.024 1.00 0.00 H new ATOM 0 HA LYS A 216 5.647 -4.743 3.924 1.00 0.00 H new ATOM 0 HB2 LYS A 216 5.039 -7.071 3.482 1.00 0.00 H new ATOM 0 HB3 LYS A 216 5.106 -6.830 1.747 1.00 0.00 H new ATOM 0 HG2 LYS A 216 7.571 -6.344 1.916 1.00 0.00 H new ATOM 0 HG3 LYS A 216 7.500 -6.603 3.648 1.00 0.00 H new ATOM 0 HD2 LYS A 216 6.352 -8.932 2.884 1.00 0.00 H new ATOM 0 HD3 LYS A 216 7.253 -8.620 1.413 1.00 0.00 H new ATOM 0 HE2 LYS A 216 8.814 -8.179 3.940 1.00 0.00 H new ATOM 0 HE3 LYS A 216 8.350 -9.843 3.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 216 10.416 -9.290 2.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 216 9.184 -9.645 1.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 216 9.634 -8.032 1.638 1.00 0.00 H new ATOM 742 N TRP A 217 6.876 -3.146 2.377 1.00 0.00 N ATOM 743 CA TRP A 217 7.782 -2.374 1.480 1.00 0.00 C ATOM 744 C TRP A 217 9.194 -2.966 1.524 1.00 0.00 C ATOM 745 O TRP A 217 9.530 -3.727 2.409 1.00 0.00 O ATOM 746 CB TRP A 217 7.769 -0.945 2.027 1.00 0.00 C ATOM 747 CG TRP A 217 6.359 -0.441 2.087 1.00 0.00 C ATOM 748 CD1 TRP A 217 5.534 -0.571 3.153 1.00 0.00 C ATOM 749 CD2 TRP A 217 5.591 0.264 1.062 1.00 0.00 C ATOM 750 NE1 TRP A 217 4.323 0.022 2.857 1.00 0.00 N ATOM 751 CE2 TRP A 217 4.303 0.543 1.580 1.00 0.00 C ATOM 752 CE3 TRP A 217 5.882 0.688 -0.250 1.00 0.00 C ATOM 753 CZ2 TRP A 217 3.337 1.216 0.825 1.00 0.00 C ATOM 754 CZ3 TRP A 217 4.912 1.364 -1.013 1.00 0.00 C ATOM 755 CH2 TRP A 217 3.644 1.625 -0.476 1.00 0.00 C ATOM 0 H TRP A 217 6.723 -2.739 3.300 1.00 0.00 H new ATOM 0 HA TRP A 217 7.460 -2.405 0.439 1.00 0.00 H new ATOM 0 HB2 TRP A 217 8.217 -0.921 3.021 1.00 0.00 H new ATOM 0 HB3 TRP A 217 8.371 -0.296 1.391 1.00 0.00 H new ATOM 0 HD1 TRP A 217 5.783 -1.059 4.084 1.00 0.00 H new ATOM 0 HE1 TRP A 217 3.537 0.069 3.505 1.00 0.00 H new ATOM 0 HE3 TRP A 217 6.856 0.493 -0.673 1.00 0.00 H new ATOM 0 HZ2 TRP A 217 2.362 1.418 1.244 1.00 0.00 H new ATOM 0 HZ3 TRP A 217 5.146 1.683 -2.018 1.00 0.00 H new ATOM 0 HH2 TRP A 217 2.903 2.143 -1.068 1.00 0.00 H new ATOM 871 N ASN A 225 7.127 -3.224 6.629 1.00 0.00 N ATOM 872 CA ASN A 225 5.673 -3.480 6.428 1.00 0.00 C ATOM 873 C ASN A 225 4.853 -2.403 7.132 1.00 0.00 C ATOM 874 O ASN A 225 5.202 -1.939 8.200 1.00 0.00 O ATOM 875 CB ASN A 225 5.416 -4.853 7.051 1.00 0.00 C ATOM 876 CG ASN A 225 5.699 -4.797 8.553 1.00 0.00 C ATOM 877 OD1 ASN A 225 5.019 -5.563 9.361 1.00 0.00 O flip ATOM 878 ND2 ASN A 225 6.548 -4.049 8.995 1.00 0.00 N flip ATOM 0 HA ASN A 225 5.390 -3.459 5.376 1.00 0.00 H new ATOM 0 HB2 ASN A 225 4.383 -5.155 6.876 1.00 0.00 H new ATOM 0 HB3 ASN A 225 6.051 -5.602 6.579 1.00 0.00 H new ATOM 0 HD21 ASN A 225 7.079 -3.450 8.363 1.00 0.00 H new ATOM 0 HD22 ASN A 225 6.730 -4.020 9.998 1.00 0.00 H new ATOM 885 N THR A 226 3.766 -2.005 6.540 1.00 0.00 N ATOM 886 CA THR A 226 2.913 -0.962 7.158 1.00 0.00 C ATOM 887 C THR A 226 1.504 -1.068 6.587 1.00 0.00 C ATOM 888 O THR A 226 1.269 -1.763 5.619 1.00 0.00 O ATOM 889 CB THR A 226 3.554 0.372 6.766 1.00 0.00 C ATOM 890 OG1 THR A 226 3.666 0.441 5.351 1.00 0.00 O ATOM 891 CG2 THR A 226 4.942 0.480 7.397 1.00 0.00 C ATOM 0 H THR A 226 3.430 -2.362 5.646 1.00 0.00 H new ATOM 0 HA THR A 226 2.841 -1.063 8.241 1.00 0.00 H new ATOM 0 HB THR A 226 2.933 1.194 7.123 1.00 0.00 H new ATOM 0 HG1 THR A 226 4.422 -0.108 5.056 1.00 0.00 H new ATOM 0 HG21 THR A 226 5.396 1.430 7.117 1.00 0.00 H new ATOM 0 HG22 THR A 226 4.854 0.426 8.482 1.00 0.00 H new ATOM 0 HG23 THR A 226 5.567 -0.340 7.043 1.00 0.00 H new ATOM 899 N TRP A 227 0.562 -0.394 7.170 1.00 0.00 N ATOM 900 CA TRP A 227 -0.822 -0.480 6.645 1.00 0.00 C ATOM 901 C TRP A 227 -1.172 0.780 5.856 1.00 0.00 C ATOM 902 O TRP A 227 -1.538 1.796 6.411 1.00 0.00 O ATOM 903 CB TRP A 227 -1.697 -0.626 7.884 1.00 0.00 C ATOM 904 CG TRP A 227 -1.673 -2.057 8.307 1.00 0.00 C ATOM 905 CD1 TRP A 227 -0.730 -2.620 9.100 1.00 0.00 C ATOM 906 CD2 TRP A 227 -2.599 -3.120 7.953 1.00 0.00 C ATOM 907 NE1 TRP A 227 -1.032 -3.959 9.266 1.00 0.00 N ATOM 908 CE2 TRP A 227 -2.175 -4.314 8.579 1.00 0.00 C ATOM 909 CE3 TRP A 227 -3.761 -3.164 7.160 1.00 0.00 C ATOM 910 CZ2 TRP A 227 -2.875 -5.508 8.422 1.00 0.00 C ATOM 911 CZ3 TRP A 227 -4.466 -4.366 6.999 1.00 0.00 C ATOM 912 CH2 TRP A 227 -4.021 -5.537 7.632 1.00 0.00 C ATOM 0 H TRP A 227 0.688 0.210 7.983 1.00 0.00 H new ATOM 0 HA TRP A 227 -0.960 -1.313 5.956 1.00 0.00 H new ATOM 0 HB2 TRP A 227 -1.329 0.014 8.686 1.00 0.00 H new ATOM 0 HB3 TRP A 227 -2.718 -0.311 7.668 1.00 0.00 H new ATOM 0 HD1 TRP A 227 0.117 -2.108 9.531 1.00 0.00 H new ATOM 0 HE1 TRP A 227 -0.478 -4.605 9.828 1.00 0.00 H new ATOM 0 HE3 TRP A 227 -4.112 -2.267 6.672 1.00 0.00 H new ATOM 0 HZ2 TRP A 227 -2.530 -6.407 8.911 1.00 0.00 H new ATOM 0 HZ3 TRP A 227 -5.355 -4.390 6.386 1.00 0.00 H new ATOM 0 HH2 TRP A 227 -4.567 -6.460 7.506 1.00 0.00 H new ATOM 923 N GLU A 228 -1.058 0.716 4.558 1.00 0.00 N ATOM 924 CA GLU A 228 -1.379 1.902 3.721 1.00 0.00 C ATOM 925 C GLU A 228 -2.743 1.726 3.055 1.00 0.00 C ATOM 926 O GLU A 228 -3.466 0.790 3.330 1.00 0.00 O ATOM 927 CB GLU A 228 -0.274 1.957 2.667 1.00 0.00 C ATOM 928 CG GLU A 228 1.091 1.960 3.357 1.00 0.00 C ATOM 929 CD GLU A 228 1.795 3.292 3.089 1.00 0.00 C ATOM 930 OE1 GLU A 228 1.120 4.308 3.102 1.00 0.00 O ATOM 931 OE2 GLU A 228 2.995 3.271 2.873 1.00 0.00 O ATOM 0 H GLU A 228 -0.755 -0.110 4.041 1.00 0.00 H new ATOM 0 HA GLU A 228 -1.428 2.819 4.309 1.00 0.00 H new ATOM 0 HB2 GLU A 228 -0.353 1.100 1.997 1.00 0.00 H new ATOM 0 HB3 GLU A 228 -0.385 2.852 2.055 1.00 0.00 H new ATOM 0 HG2 GLU A 228 0.968 1.811 4.430 1.00 0.00 H new ATOM 0 HG3 GLU A 228 1.699 1.134 2.988 1.00 0.00 H new ATOM 938 N THR A 229 -3.092 2.616 2.174 1.00 0.00 N ATOM 939 CA THR A 229 -4.399 2.506 1.476 1.00 0.00 C ATOM 940 C THR A 229 -4.214 2.899 0.014 1.00 0.00 C ATOM 941 O THR A 229 -3.315 3.642 -0.328 1.00 0.00 O ATOM 942 CB THR A 229 -5.319 3.495 2.189 1.00 0.00 C ATOM 943 OG1 THR A 229 -4.630 4.719 2.394 1.00 0.00 O ATOM 944 CG2 THR A 229 -5.742 2.909 3.535 1.00 0.00 C ATOM 0 H THR A 229 -2.525 3.420 1.905 1.00 0.00 H new ATOM 0 HA THR A 229 -4.810 1.497 1.499 1.00 0.00 H new ATOM 0 HB THR A 229 -6.204 3.679 1.579 1.00 0.00 H new ATOM 0 HG1 THR A 229 -5.221 5.354 2.850 1.00 0.00 H new ATOM 0 HG21 THR A 229 -6.399 3.612 4.047 1.00 0.00 H new ATOM 0 HG22 THR A 229 -6.271 1.970 3.373 1.00 0.00 H new ATOM 0 HG23 THR A 229 -4.858 2.727 4.146 1.00 0.00 H new ATOM 952 N TYR A 230 -5.042 2.407 -0.855 1.00 0.00 N ATOM 953 CA TYR A 230 -4.889 2.756 -2.292 1.00 0.00 C ATOM 954 C TYR A 230 -4.623 4.254 -2.457 1.00 0.00 C ATOM 955 O TYR A 230 -3.840 4.668 -3.289 1.00 0.00 O ATOM 956 CB TYR A 230 -6.223 2.380 -2.937 1.00 0.00 C ATOM 957 CG TYR A 230 -6.125 1.022 -3.586 1.00 0.00 C ATOM 958 CD1 TYR A 230 -6.022 -0.129 -2.796 1.00 0.00 C ATOM 959 CD2 TYR A 230 -6.150 0.914 -4.981 1.00 0.00 C ATOM 960 CE1 TYR A 230 -5.941 -1.388 -3.403 1.00 0.00 C ATOM 961 CE2 TYR A 230 -6.070 -0.343 -5.587 1.00 0.00 C ATOM 962 CZ TYR A 230 -5.966 -1.495 -4.799 1.00 0.00 C ATOM 963 OH TYR A 230 -5.888 -2.735 -5.398 1.00 0.00 O ATOM 0 H TYR A 230 -5.816 1.780 -0.637 1.00 0.00 H new ATOM 0 HA TYR A 230 -4.049 2.234 -2.750 1.00 0.00 H new ATOM 0 HB2 TYR A 230 -7.011 2.375 -2.183 1.00 0.00 H new ATOM 0 HB3 TYR A 230 -6.499 3.127 -3.681 1.00 0.00 H new ATOM 0 HD1 TYR A 230 -6.005 -0.046 -1.719 1.00 0.00 H new ATOM 0 HD2 TYR A 230 -6.231 1.802 -5.590 1.00 0.00 H new ATOM 0 HE1 TYR A 230 -5.859 -2.277 -2.795 1.00 0.00 H new ATOM 0 HE2 TYR A 230 -6.088 -0.425 -6.664 1.00 0.00 H new ATOM 0 HH TYR A 230 -5.580 -2.633 -6.323 1.00 0.00 H new ATOM 973 N GLU A 231 -5.272 5.069 -1.676 1.00 0.00 N ATOM 974 CA GLU A 231 -5.061 6.542 -1.790 1.00 0.00 C ATOM 975 C GLU A 231 -3.614 6.901 -1.444 1.00 0.00 C ATOM 976 O GLU A 231 -3.182 8.021 -1.632 1.00 0.00 O ATOM 977 CB GLU A 231 -6.025 7.159 -0.777 1.00 0.00 C ATOM 978 CG GLU A 231 -6.189 8.652 -1.074 1.00 0.00 C ATOM 979 CD GLU A 231 -6.756 8.832 -2.484 1.00 0.00 C ATOM 980 OE1 GLU A 231 -7.252 7.861 -3.030 1.00 0.00 O ATOM 981 OE2 GLU A 231 -6.684 9.939 -2.993 1.00 0.00 O ATOM 0 H GLU A 231 -5.941 4.781 -0.962 1.00 0.00 H new ATOM 0 HA GLU A 231 -5.243 6.907 -2.801 1.00 0.00 H new ATOM 0 HB2 GLU A 231 -6.992 6.659 -0.828 1.00 0.00 H new ATOM 0 HB3 GLU A 231 -5.646 7.018 0.235 1.00 0.00 H new ATOM 0 HG2 GLU A 231 -6.855 9.108 -0.342 1.00 0.00 H new ATOM 0 HG3 GLU A 231 -5.227 9.158 -0.990 1.00 0.00 H new ATOM 988 N SER A 232 -2.861 5.963 -0.938 1.00 0.00 N ATOM 989 CA SER A 232 -1.442 6.262 -0.582 1.00 0.00 C ATOM 990 C SER A 232 -0.499 5.270 -1.265 1.00 0.00 C ATOM 991 O SER A 232 0.689 5.501 -1.373 1.00 0.00 O ATOM 992 CB SER A 232 -1.374 6.106 0.936 1.00 0.00 C ATOM 993 OG SER A 232 -2.339 6.956 1.541 1.00 0.00 O ATOM 0 H SER A 232 -3.164 5.006 -0.756 1.00 0.00 H new ATOM 0 HA SER A 232 -1.139 7.258 -0.905 1.00 0.00 H new ATOM 0 HB2 SER A 232 -1.561 5.069 1.215 1.00 0.00 H new ATOM 0 HB3 SER A 232 -0.376 6.358 1.294 1.00 0.00 H new ATOM 0 HG SER A 232 -3.106 6.422 1.836 1.00 0.00 H new ATOM 999 N ILE A 233 -1.017 4.164 -1.722 1.00 0.00 N ATOM 1000 CA ILE A 233 -0.149 3.153 -2.394 1.00 0.00 C ATOM 1001 C ILE A 233 -0.644 2.922 -3.829 1.00 0.00 C ATOM 1002 O ILE A 233 -0.210 2.015 -4.510 1.00 0.00 O ATOM 1003 CB ILE A 233 -0.235 1.865 -1.523 1.00 0.00 C ATOM 1004 CG1 ILE A 233 -0.512 0.630 -2.390 1.00 0.00 C ATOM 1005 CG2 ILE A 233 -1.340 1.975 -0.465 1.00 0.00 C ATOM 1006 CD1 ILE A 233 -0.755 -0.578 -1.485 1.00 0.00 C ATOM 0 H ILE A 233 -2.004 3.915 -1.660 1.00 0.00 H new ATOM 0 HA ILE A 233 0.888 3.478 -2.475 1.00 0.00 H new ATOM 0 HB ILE A 233 0.730 1.758 -1.027 1.00 0.00 H new ATOM 0 HG12 ILE A 233 -1.381 0.804 -3.024 1.00 0.00 H new ATOM 0 HG13 ILE A 233 0.333 0.439 -3.052 1.00 0.00 H new ATOM 0 HG21 ILE A 233 -1.372 1.059 0.125 1.00 0.00 H new ATOM 0 HG22 ILE A 233 -1.133 2.821 0.190 1.00 0.00 H new ATOM 0 HG23 ILE A 233 -2.301 2.123 -0.957 1.00 0.00 H new ATOM 0 HD11 ILE A 233 -0.952 -1.458 -2.098 1.00 0.00 H new ATOM 0 HD12 ILE A 233 0.127 -0.755 -0.869 1.00 0.00 H new ATOM 0 HD13 ILE A 233 -1.613 -0.384 -0.842 1.00 0.00 H new ATOM 1018 N GLY A 234 -1.547 3.743 -4.293 1.00 0.00 N ATOM 1019 CA GLY A 234 -2.064 3.570 -5.678 1.00 0.00 C ATOM 1020 C GLY A 234 -1.264 4.448 -6.646 1.00 0.00 C ATOM 1021 O GLY A 234 -1.824 5.189 -7.429 1.00 0.00 O ATOM 0 H GLY A 234 -1.947 4.524 -3.773 1.00 0.00 H new ATOM 0 HA2 GLY A 234 -1.989 2.524 -5.975 1.00 0.00 H new ATOM 0 HA3 GLY A 234 -3.120 3.838 -5.718 1.00 0.00 H new ATOM 1025 N GLN A 235 0.040 4.370 -6.605 1.00 0.00 N ATOM 1026 CA GLN A 235 0.862 5.203 -7.532 1.00 0.00 C ATOM 1027 C GLN A 235 2.346 4.832 -7.423 1.00 0.00 C ATOM 1028 O GLN A 235 3.217 5.644 -7.663 1.00 0.00 O ATOM 1029 CB GLN A 235 0.635 6.644 -7.078 1.00 0.00 C ATOM 1030 CG GLN A 235 0.848 6.743 -5.567 1.00 0.00 C ATOM 1031 CD GLN A 235 1.764 7.929 -5.258 1.00 0.00 C ATOM 1032 OE1 GLN A 235 1.738 8.928 -5.950 1.00 0.00 O ATOM 1033 NE2 GLN A 235 2.580 7.860 -4.242 1.00 0.00 N ATOM 0 H GLN A 235 0.569 3.769 -5.973 1.00 0.00 H new ATOM 0 HA GLN A 235 0.579 5.052 -8.574 1.00 0.00 H new ATOM 0 HB2 GLN A 235 1.322 7.312 -7.597 1.00 0.00 H new ATOM 0 HB3 GLN A 235 -0.375 6.963 -7.335 1.00 0.00 H new ATOM 0 HG2 GLN A 235 -0.110 6.868 -5.061 1.00 0.00 H new ATOM 0 HG3 GLN A 235 1.290 5.821 -5.190 1.00 0.00 H new ATOM 0 HE21 GLN A 235 2.602 7.022 -3.661 1.00 0.00 H new ATOM 0 HE22 GLN A 235 3.196 8.644 -4.028 1.00 0.00 H new ATOM 1042 N VAL A 236 2.637 3.611 -7.072 1.00 0.00 N ATOM 1043 CA VAL A 236 4.063 3.182 -6.955 1.00 0.00 C ATOM 1044 C VAL A 236 4.174 1.692 -7.274 1.00 0.00 C ATOM 1045 O VAL A 236 4.880 0.957 -6.612 1.00 0.00 O ATOM 1046 CB VAL A 236 4.443 3.441 -5.495 1.00 0.00 C ATOM 1047 CG1 VAL A 236 4.614 4.942 -5.264 1.00 0.00 C ATOM 1048 CG2 VAL A 236 3.338 2.908 -4.579 1.00 0.00 C ATOM 0 H VAL A 236 1.949 2.888 -6.860 1.00 0.00 H new ATOM 0 HA VAL A 236 4.717 3.718 -7.643 1.00 0.00 H new ATOM 0 HB VAL A 236 5.381 2.933 -5.272 1.00 0.00 H new ATOM 0 HG11 VAL A 236 4.884 5.122 -4.223 1.00 0.00 H new ATOM 0 HG12 VAL A 236 5.401 5.323 -5.914 1.00 0.00 H new ATOM 0 HG13 VAL A 236 3.678 5.454 -5.489 1.00 0.00 H new ATOM 0 HG21 VAL A 236 3.607 3.092 -3.539 1.00 0.00 H new ATOM 0 HG22 VAL A 236 2.401 3.416 -4.806 1.00 0.00 H new ATOM 0 HG23 VAL A 236 3.218 1.836 -4.739 1.00 0.00 H new ATOM 1058 N ARG A 237 3.458 1.236 -8.271 1.00 0.00 N ATOM 1059 CA ARG A 237 3.490 -0.215 -8.626 1.00 0.00 C ATOM 1060 C ARG A 237 2.720 -1.020 -7.573 1.00 0.00 C ATOM 1061 O ARG A 237 2.563 -2.226 -7.681 1.00 0.00 O ATOM 1062 CB ARG A 237 4.970 -0.608 -8.636 1.00 0.00 C ATOM 1063 CG ARG A 237 5.169 -1.820 -9.547 1.00 0.00 C ATOM 1064 CD ARG A 237 5.360 -3.075 -8.691 1.00 0.00 C ATOM 1065 NE ARG A 237 5.908 -4.098 -9.625 1.00 0.00 N ATOM 1066 CZ ARG A 237 6.984 -3.838 -10.315 1.00 0.00 C ATOM 1067 NH1 ARG A 237 6.888 -3.275 -11.487 1.00 0.00 N ATOM 1068 NH2 ARG A 237 8.158 -4.144 -9.832 1.00 0.00 N ATOM 0 H ARG A 237 2.850 1.809 -8.856 1.00 0.00 H new ATOM 0 HA ARG A 237 3.024 -0.414 -9.591 1.00 0.00 H new ATOM 0 HB2 ARG A 237 5.577 0.227 -8.986 1.00 0.00 H new ATOM 0 HB3 ARG A 237 5.302 -0.841 -7.624 1.00 0.00 H new ATOM 0 HG2 ARG A 237 4.307 -1.941 -10.202 1.00 0.00 H new ATOM 0 HG3 ARG A 237 6.037 -1.668 -10.188 1.00 0.00 H new ATOM 0 HD2 ARG A 237 6.045 -2.888 -7.864 1.00 0.00 H new ATOM 0 HD3 ARG A 237 4.416 -3.403 -8.255 1.00 0.00 H new ATOM 0 HE ARG A 237 5.443 -5.000 -9.725 1.00 0.00 H new ATOM 0 HH11 ARG A 237 5.971 -3.037 -11.865 1.00 0.00 H new ATOM 0 HH12 ARG A 237 7.730 -3.072 -12.026 1.00 0.00 H new ATOM 0 HH21 ARG A 237 8.233 -4.586 -8.916 1.00 0.00 H new ATOM 0 HH22 ARG A 237 9.000 -3.941 -10.371 1.00 0.00 H new ATOM 1082 N GLY A 238 2.222 -0.359 -6.560 1.00 0.00 N ATOM 1083 CA GLY A 238 1.456 -1.073 -5.511 1.00 0.00 C ATOM 1084 C GLY A 238 0.196 -1.649 -6.140 1.00 0.00 C ATOM 1085 O GLY A 238 -0.061 -2.827 -6.061 1.00 0.00 O ATOM 0 H GLY A 238 2.316 0.647 -6.419 1.00 0.00 H new ATOM 0 HA2 GLY A 238 2.060 -1.869 -5.077 1.00 0.00 H new ATOM 0 HA3 GLY A 238 1.197 -0.391 -4.701 1.00 0.00 H new ATOM 1089 N LEU A 239 -0.589 -0.827 -6.775 1.00 0.00 N ATOM 1090 CA LEU A 239 -1.829 -1.339 -7.416 1.00 0.00 C ATOM 1091 C LEU A 239 -1.536 -2.641 -8.160 1.00 0.00 C ATOM 1092 O LEU A 239 -2.354 -3.528 -8.207 1.00 0.00 O ATOM 1093 CB LEU A 239 -2.254 -0.249 -8.402 1.00 0.00 C ATOM 1094 CG LEU A 239 -2.873 0.928 -7.647 1.00 0.00 C ATOM 1095 CD1 LEU A 239 -2.364 2.239 -8.246 1.00 0.00 C ATOM 1096 CD2 LEU A 239 -4.396 0.870 -7.775 1.00 0.00 C ATOM 0 H LEU A 239 -0.426 0.175 -6.878 1.00 0.00 H new ATOM 0 HA LEU A 239 -2.609 -1.552 -6.685 1.00 0.00 H new ATOM 0 HB2 LEU A 239 -1.392 0.090 -8.976 1.00 0.00 H new ATOM 0 HB3 LEU A 239 -2.973 -0.653 -9.115 1.00 0.00 H new ATOM 0 HG LEU A 239 -2.593 0.874 -6.595 1.00 0.00 H new ATOM 0 HD11 LEU A 239 -2.804 3.079 -7.709 1.00 0.00 H new ATOM 0 HD12 LEU A 239 -1.278 2.281 -8.159 1.00 0.00 H new ATOM 0 HD13 LEU A 239 -2.646 2.292 -9.297 1.00 0.00 H new ATOM 0 HD21 LEU A 239 -4.839 1.708 -7.237 1.00 0.00 H new ATOM 0 HD22 LEU A 239 -4.675 0.926 -8.827 1.00 0.00 H new ATOM 0 HD23 LEU A 239 -4.761 -0.066 -7.352 1.00 0.00 H new ATOM 1108 N LYS A 240 -0.377 -2.764 -8.742 1.00 0.00 N ATOM 1109 CA LYS A 240 -0.056 -4.021 -9.476 1.00 0.00 C ATOM 1110 C LYS A 240 0.017 -5.190 -8.495 1.00 0.00 C ATOM 1111 O LYS A 240 -0.733 -6.141 -8.592 1.00 0.00 O ATOM 1112 CB LYS A 240 1.305 -3.773 -10.122 1.00 0.00 C ATOM 1113 CG LYS A 240 1.544 -4.805 -11.222 1.00 0.00 C ATOM 1114 CD LYS A 240 2.459 -5.912 -10.694 1.00 0.00 C ATOM 1115 CE LYS A 240 2.653 -6.973 -11.780 1.00 0.00 C ATOM 1116 NZ LYS A 240 1.869 -8.149 -11.310 1.00 0.00 N ATOM 0 H LYS A 240 0.357 -2.056 -8.743 1.00 0.00 H new ATOM 0 HA LYS A 240 -0.812 -4.272 -10.219 1.00 0.00 H new ATOM 0 HB2 LYS A 240 1.343 -2.767 -10.539 1.00 0.00 H new ATOM 0 HB3 LYS A 240 2.093 -3.837 -9.371 1.00 0.00 H new ATOM 0 HG2 LYS A 240 0.595 -5.229 -11.550 1.00 0.00 H new ATOM 0 HG3 LYS A 240 1.997 -4.328 -12.091 1.00 0.00 H new ATOM 0 HD2 LYS A 240 3.423 -5.494 -10.402 1.00 0.00 H new ATOM 0 HD3 LYS A 240 2.024 -6.364 -9.802 1.00 0.00 H new ATOM 0 HE2 LYS A 240 2.294 -6.619 -12.747 1.00 0.00 H new ATOM 0 HE3 LYS A 240 3.706 -7.224 -11.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 240 1.952 -8.921 -12.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 240 2.238 -8.467 -10.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 240 0.869 -7.881 -11.208 1.00 0.00 H new ATOM 1130 N ARG A 241 0.901 -5.123 -7.538 1.00 0.00 N ATOM 1131 CA ARG A 241 0.990 -6.234 -6.547 1.00 0.00 C ATOM 1132 C ARG A 241 -0.251 -6.205 -5.656 1.00 0.00 C ATOM 1133 O ARG A 241 -0.694 -7.216 -5.147 1.00 0.00 O ATOM 1134 CB ARG A 241 2.249 -5.944 -5.737 1.00 0.00 C ATOM 1135 CG ARG A 241 3.449 -6.636 -6.386 1.00 0.00 C ATOM 1136 CD ARG A 241 4.574 -6.774 -5.358 1.00 0.00 C ATOM 1137 NE ARG A 241 5.513 -7.772 -5.943 1.00 0.00 N ATOM 1138 CZ ARG A 241 6.004 -7.583 -7.138 1.00 0.00 C ATOM 1139 NH1 ARG A 241 6.357 -6.387 -7.517 1.00 0.00 N ATOM 1140 NH2 ARG A 241 6.142 -8.594 -7.952 1.00 0.00 N ATOM 0 H ARG A 241 1.559 -4.356 -7.399 1.00 0.00 H new ATOM 0 HA ARG A 241 1.038 -7.219 -7.011 1.00 0.00 H new ATOM 0 HB2 ARG A 241 2.421 -4.869 -5.686 1.00 0.00 H new ATOM 0 HB3 ARG A 241 2.124 -6.296 -4.713 1.00 0.00 H new ATOM 0 HG2 ARG A 241 3.159 -7.619 -6.758 1.00 0.00 H new ATOM 0 HG3 ARG A 241 3.795 -6.060 -7.244 1.00 0.00 H new ATOM 0 HD2 ARG A 241 5.070 -5.819 -5.186 1.00 0.00 H new ATOM 0 HD3 ARG A 241 4.189 -7.111 -4.395 1.00 0.00 H new ATOM 0 HE ARG A 241 5.772 -8.602 -5.410 1.00 0.00 H new ATOM 0 HH11 ARG A 241 6.250 -5.598 -6.880 1.00 0.00 H new ATOM 0 HH12 ARG A 241 6.740 -6.240 -8.451 1.00 0.00 H new ATOM 0 HH21 ARG A 241 5.866 -9.530 -7.654 1.00 0.00 H new ATOM 0 HH22 ARG A 241 6.525 -8.448 -8.886 1.00 0.00 H new ATOM 1154 N LEU A 242 -0.824 -5.047 -5.490 1.00 0.00 N ATOM 1155 CA LEU A 242 -2.050 -4.921 -4.662 1.00 0.00 C ATOM 1156 C LEU A 242 -3.230 -5.477 -5.450 1.00 0.00 C ATOM 1157 O LEU A 242 -4.100 -6.135 -4.913 1.00 0.00 O ATOM 1158 CB LEU A 242 -2.212 -3.415 -4.440 1.00 0.00 C ATOM 1159 CG LEU A 242 -3.051 -3.150 -3.189 1.00 0.00 C ATOM 1160 CD1 LEU A 242 -4.264 -4.079 -3.183 1.00 0.00 C ATOM 1161 CD2 LEU A 242 -2.205 -3.404 -1.939 1.00 0.00 C ATOM 0 H LEU A 242 -0.490 -4.174 -5.898 1.00 0.00 H new ATOM 0 HA LEU A 242 -1.995 -5.463 -3.718 1.00 0.00 H new ATOM 0 HB2 LEU A 242 -1.232 -2.949 -4.335 1.00 0.00 H new ATOM 0 HB3 LEU A 242 -2.689 -2.962 -5.309 1.00 0.00 H new ATOM 0 HG LEU A 242 -3.387 -2.113 -3.192 1.00 0.00 H new ATOM 0 HD11 LEU A 242 -4.862 -3.891 -2.292 1.00 0.00 H new ATOM 0 HD12 LEU A 242 -4.868 -3.894 -4.071 1.00 0.00 H new ATOM 0 HD13 LEU A 242 -3.928 -5.116 -3.182 1.00 0.00 H new ATOM 0 HD21 LEU A 242 -2.805 -3.214 -1.049 1.00 0.00 H new ATOM 0 HD22 LEU A 242 -1.865 -4.440 -1.934 1.00 0.00 H new ATOM 0 HD23 LEU A 242 -1.341 -2.739 -1.943 1.00 0.00 H new ATOM 1173 N ASP A 243 -3.253 -5.232 -6.731 1.00 0.00 N ATOM 1174 CA ASP A 243 -4.368 -5.767 -7.563 1.00 0.00 C ATOM 1175 C ASP A 243 -4.301 -7.289 -7.536 1.00 0.00 C ATOM 1176 O ASP A 243 -5.297 -7.967 -7.382 1.00 0.00 O ATOM 1177 CB ASP A 243 -4.125 -5.247 -8.981 1.00 0.00 C ATOM 1178 CG ASP A 243 -4.726 -3.847 -9.120 1.00 0.00 C ATOM 1179 OD1 ASP A 243 -5.062 -3.264 -8.103 1.00 0.00 O ATOM 1180 OD2 ASP A 243 -4.840 -3.381 -10.242 1.00 0.00 O ATOM 0 H ASP A 243 -2.553 -4.688 -7.235 1.00 0.00 H new ATOM 0 HA ASP A 243 -5.348 -5.458 -7.201 1.00 0.00 H new ATOM 0 HB2 ASP A 243 -3.056 -5.218 -9.191 1.00 0.00 H new ATOM 0 HB3 ASP A 243 -4.575 -5.922 -9.709 1.00 0.00 H new ATOM 1185 N ASN A 244 -3.120 -7.827 -7.667 1.00 0.00 N ATOM 1186 CA ASN A 244 -2.970 -9.304 -7.628 1.00 0.00 C ATOM 1187 C ASN A 244 -3.283 -9.803 -6.217 1.00 0.00 C ATOM 1188 O ASN A 244 -3.680 -10.934 -6.023 1.00 0.00 O ATOM 1189 CB ASN A 244 -1.507 -9.565 -7.985 1.00 0.00 C ATOM 1190 CG ASN A 244 -1.430 -10.613 -9.096 1.00 0.00 C ATOM 1191 OD1 ASN A 244 -1.952 -10.412 -10.175 1.00 0.00 O ATOM 1192 ND2 ASN A 244 -0.796 -11.734 -8.877 1.00 0.00 N ATOM 0 H ASN A 244 -2.254 -7.305 -7.799 1.00 0.00 H new ATOM 0 HA ASN A 244 -3.644 -9.818 -8.313 1.00 0.00 H new ATOM 0 HB2 ASN A 244 -1.031 -8.640 -8.310 1.00 0.00 H new ATOM 0 HB3 ASN A 244 -0.964 -9.912 -7.106 1.00 0.00 H new ATOM 0 HD21 ASN A 244 -0.739 -12.440 -9.611 1.00 0.00 H new ATOM 0 HD22 ASN A 244 -0.358 -11.904 -7.972 1.00 0.00 H new ATOM 1199 N TYR A 245 -3.127 -8.961 -5.229 1.00 0.00 N ATOM 1200 CA TYR A 245 -3.441 -9.389 -3.843 1.00 0.00 C ATOM 1201 C TYR A 245 -4.948 -9.318 -3.643 1.00 0.00 C ATOM 1202 O TYR A 245 -5.552 -10.179 -3.033 1.00 0.00 O ATOM 1203 CB TYR A 245 -2.736 -8.387 -2.931 1.00 0.00 C ATOM 1204 CG TYR A 245 -3.234 -8.580 -1.520 1.00 0.00 C ATOM 1205 CD1 TYR A 245 -4.416 -7.958 -1.104 1.00 0.00 C ATOM 1206 CD2 TYR A 245 -2.516 -9.388 -0.631 1.00 0.00 C ATOM 1207 CE1 TYR A 245 -4.882 -8.145 0.204 1.00 0.00 C ATOM 1208 CE2 TYR A 245 -2.980 -9.573 0.676 1.00 0.00 C ATOM 1209 CZ TYR A 245 -4.163 -8.953 1.093 1.00 0.00 C ATOM 1210 OH TYR A 245 -4.619 -9.139 2.380 1.00 0.00 O ATOM 0 H TYR A 245 -2.797 -8.001 -5.326 1.00 0.00 H new ATOM 0 HA TYR A 245 -3.115 -10.408 -3.632 1.00 0.00 H new ATOM 0 HB2 TYR A 245 -1.657 -8.532 -2.973 1.00 0.00 H new ATOM 0 HB3 TYR A 245 -2.934 -7.368 -3.265 1.00 0.00 H new ATOM 0 HD1 TYR A 245 -4.969 -7.334 -1.791 1.00 0.00 H new ATOM 0 HD2 TYR A 245 -1.604 -9.869 -0.954 1.00 0.00 H new ATOM 0 HE1 TYR A 245 -5.795 -7.666 0.526 1.00 0.00 H new ATOM 0 HE2 TYR A 245 -2.425 -10.194 1.363 1.00 0.00 H new ATOM 0 HH TYR A 245 -5.577 -8.938 2.420 1.00 0.00 H new ATOM 1220 N CYS A 246 -5.561 -8.297 -4.172 1.00 0.00 N ATOM 1221 CA CYS A 246 -7.031 -8.163 -4.039 1.00 0.00 C ATOM 1222 C CYS A 246 -7.708 -9.287 -4.820 1.00 0.00 C ATOM 1223 O CYS A 246 -8.752 -9.781 -4.446 1.00 0.00 O ATOM 1224 CB CYS A 246 -7.364 -6.801 -4.649 1.00 0.00 C ATOM 1225 SG CYS A 246 -7.064 -5.501 -3.426 1.00 0.00 S ATOM 0 H CYS A 246 -5.103 -7.549 -4.692 1.00 0.00 H new ATOM 0 HA CYS A 246 -7.373 -8.229 -3.006 1.00 0.00 H new ATOM 0 HB2 CYS A 246 -6.753 -6.629 -5.535 1.00 0.00 H new ATOM 0 HB3 CYS A 246 -8.405 -6.779 -4.970 1.00 0.00 H new ATOM 0 HG CYS A 246 -6.380 -5.988 -2.434 1.00 0.00 H new ATOM 1231 N LYS A 247 -7.110 -9.699 -5.903 1.00 0.00 N ATOM 1232 CA LYS A 247 -7.708 -10.798 -6.708 1.00 0.00 C ATOM 1233 C LYS A 247 -7.347 -12.147 -6.079 1.00 0.00 C ATOM 1234 O LYS A 247 -8.016 -13.140 -6.281 1.00 0.00 O ATOM 1235 CB LYS A 247 -7.105 -10.636 -8.115 1.00 0.00 C ATOM 1236 CG LYS A 247 -5.842 -11.493 -8.264 1.00 0.00 C ATOM 1237 CD LYS A 247 -5.112 -11.114 -9.555 1.00 0.00 C ATOM 1238 CE LYS A 247 -5.812 -11.767 -10.748 1.00 0.00 C ATOM 1239 NZ LYS A 247 -6.364 -10.632 -11.537 1.00 0.00 N ATOM 0 H LYS A 247 -6.234 -9.322 -6.264 1.00 0.00 H new ATOM 0 HA LYS A 247 -8.797 -10.759 -6.748 1.00 0.00 H new ATOM 0 HB2 LYS A 247 -7.839 -10.927 -8.867 1.00 0.00 H new ATOM 0 HB3 LYS A 247 -6.863 -9.588 -8.294 1.00 0.00 H new ATOM 0 HG2 LYS A 247 -5.186 -11.344 -7.406 1.00 0.00 H new ATOM 0 HG3 LYS A 247 -6.108 -12.550 -8.282 1.00 0.00 H new ATOM 0 HD2 LYS A 247 -5.101 -10.031 -9.675 1.00 0.00 H new ATOM 0 HD3 LYS A 247 -4.073 -11.440 -9.507 1.00 0.00 H new ATOM 0 HE2 LYS A 247 -5.114 -12.358 -11.341 1.00 0.00 H new ATOM 0 HE3 LYS A 247 -6.603 -12.442 -10.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 247 -6.860 -11.000 -12.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 247 -7.030 -10.092 -10.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 247 -5.588 -10.010 -11.840 1.00 0.00 H new ATOM 1253 N GLN A 248 -6.297 -12.182 -5.306 1.00 0.00 N ATOM 1254 CA GLN A 248 -5.900 -13.455 -4.648 1.00 0.00 C ATOM 1255 C GLN A 248 -6.416 -13.465 -3.208 1.00 0.00 C ATOM 1256 O GLN A 248 -6.358 -14.466 -2.522 1.00 0.00 O ATOM 1257 CB GLN A 248 -4.371 -13.461 -4.670 1.00 0.00 C ATOM 1258 CG GLN A 248 -3.866 -14.904 -4.700 1.00 0.00 C ATOM 1259 CD GLN A 248 -2.982 -15.111 -5.931 1.00 0.00 C ATOM 1260 OE1 GLN A 248 -3.395 -14.846 -7.042 1.00 0.00 O ATOM 1261 NE2 GLN A 248 -1.772 -15.576 -5.778 1.00 0.00 N ATOM 0 H GLN A 248 -5.697 -11.383 -5.102 1.00 0.00 H new ATOM 0 HA GLN A 248 -6.310 -14.331 -5.150 1.00 0.00 H new ATOM 0 HB2 GLN A 248 -4.007 -12.919 -5.543 1.00 0.00 H new ATOM 0 HB3 GLN A 248 -3.982 -12.947 -3.791 1.00 0.00 H new ATOM 0 HG2 GLN A 248 -3.302 -15.122 -3.793 1.00 0.00 H new ATOM 0 HG3 GLN A 248 -4.709 -15.595 -4.724 1.00 0.00 H new ATOM 0 HE21 GLN A 248 -1.425 -15.798 -4.845 1.00 0.00 H new ATOM 0 HE22 GLN A 248 -1.173 -15.717 -6.592 1.00 0.00 H new ATOM 1270 N PHE A 249 -6.921 -12.350 -2.745 1.00 0.00 N ATOM 1271 CA PHE A 249 -7.438 -12.292 -1.348 1.00 0.00 C ATOM 1272 C PHE A 249 -8.794 -11.575 -1.288 1.00 0.00 C ATOM 1273 O PHE A 249 -9.481 -11.632 -0.287 1.00 0.00 O ATOM 1274 CB PHE A 249 -6.390 -11.495 -0.568 1.00 0.00 C ATOM 1275 CG PHE A 249 -5.108 -12.288 -0.477 1.00 0.00 C ATOM 1276 CD1 PHE A 249 -5.068 -13.473 0.268 1.00 0.00 C ATOM 1277 CD2 PHE A 249 -3.958 -11.835 -1.135 1.00 0.00 C ATOM 1278 CE1 PHE A 249 -3.878 -14.205 0.354 1.00 0.00 C ATOM 1279 CE2 PHE A 249 -2.768 -12.568 -1.048 1.00 0.00 C ATOM 1280 CZ PHE A 249 -2.729 -13.754 -0.304 1.00 0.00 C ATOM 0 H PHE A 249 -6.997 -11.481 -3.273 1.00 0.00 H new ATOM 0 HA PHE A 249 -7.594 -13.290 -0.939 1.00 0.00 H new ATOM 0 HB2 PHE A 249 -6.204 -10.541 -1.061 1.00 0.00 H new ATOM 0 HB3 PHE A 249 -6.761 -11.270 0.432 1.00 0.00 H new ATOM 0 HD1 PHE A 249 -5.955 -13.822 0.776 1.00 0.00 H new ATOM 0 HD2 PHE A 249 -3.989 -10.921 -1.709 1.00 0.00 H new ATOM 0 HE1 PHE A 249 -3.847 -15.119 0.929 1.00 0.00 H new ATOM 0 HE2 PHE A 249 -1.880 -12.219 -1.555 1.00 0.00 H new ATOM 0 HZ PHE A 249 -1.812 -14.320 -0.238 1.00 0.00 H new ATOM 1290 N ILE A 250 -9.194 -10.892 -2.333 1.00 0.00 N ATOM 1291 CA ILE A 250 -10.507 -10.184 -2.278 1.00 0.00 C ATOM 1292 C ILE A 250 -11.372 -10.536 -3.493 1.00 0.00 C ATOM 1293 O ILE A 250 -12.562 -10.303 -3.498 1.00 0.00 O ATOM 1294 CB ILE A 250 -10.151 -8.691 -2.258 1.00 0.00 C ATOM 1295 CG1 ILE A 250 -9.882 -8.258 -0.817 1.00 0.00 C ATOM 1296 CG2 ILE A 250 -11.311 -7.860 -2.815 1.00 0.00 C ATOM 1297 CD1 ILE A 250 -8.458 -7.711 -0.704 1.00 0.00 C ATOM 0 H ILE A 250 -8.677 -10.796 -3.207 1.00 0.00 H new ATOM 0 HA ILE A 250 -11.092 -10.471 -1.404 1.00 0.00 H new ATOM 0 HB ILE A 250 -9.266 -8.531 -2.874 1.00 0.00 H new ATOM 0 HG12 ILE A 250 -10.600 -7.496 -0.515 1.00 0.00 H new ATOM 0 HG13 ILE A 250 -10.012 -9.104 -0.142 1.00 0.00 H new ATOM 0 HG21 ILE A 250 -11.044 -6.803 -2.795 1.00 0.00 H new ATOM 0 HG22 ILE A 250 -11.515 -8.163 -3.842 1.00 0.00 H new ATOM 0 HG23 ILE A 250 -12.200 -8.022 -2.205 1.00 0.00 H new ATOM 0 HD11 ILE A 250 -8.267 -7.403 0.324 1.00 0.00 H new ATOM 0 HD12 ILE A 250 -7.747 -8.487 -0.988 1.00 0.00 H new ATOM 0 HD13 ILE A 250 -8.344 -6.854 -1.367 1.00 0.00 H new ATOM 1309 N ILE A 251 -10.797 -11.087 -4.522 1.00 0.00 N ATOM 1310 CA ILE A 251 -11.620 -11.432 -5.716 1.00 0.00 C ATOM 1311 C ILE A 251 -11.103 -12.721 -6.361 1.00 0.00 C ATOM 1312 O ILE A 251 -10.272 -13.411 -5.808 1.00 0.00 O ATOM 1313 CB ILE A 251 -11.464 -10.246 -6.671 1.00 0.00 C ATOM 1314 CG1 ILE A 251 -11.415 -8.936 -5.877 1.00 0.00 C ATOM 1315 CG2 ILE A 251 -12.658 -10.204 -7.626 1.00 0.00 C ATOM 1316 CD1 ILE A 251 -11.196 -7.766 -6.836 1.00 0.00 C ATOM 0 H ILE A 251 -9.805 -11.312 -4.591 1.00 0.00 H new ATOM 0 HA ILE A 251 -12.665 -11.605 -5.459 1.00 0.00 H new ATOM 0 HB ILE A 251 -10.538 -10.363 -7.234 1.00 0.00 H new ATOM 0 HG12 ILE A 251 -12.345 -8.798 -5.325 1.00 0.00 H new ATOM 0 HG13 ILE A 251 -10.610 -8.973 -5.143 1.00 0.00 H new ATOM 0 HG21 ILE A 251 -12.549 -9.360 -8.307 1.00 0.00 H new ATOM 0 HG22 ILE A 251 -12.698 -11.130 -8.199 1.00 0.00 H new ATOM 0 HG23 ILE A 251 -13.578 -10.092 -7.053 1.00 0.00 H new ATOM 0 HD11 ILE A 251 -11.161 -6.834 -6.271 1.00 0.00 H new ATOM 0 HD12 ILE A 251 -10.255 -7.903 -7.368 1.00 0.00 H new ATOM 0 HD13 ILE A 251 -12.016 -7.725 -7.553 1.00 0.00 H new