USER MOD reduce.3.24.130724 H: found=0, std=0, add=372, rem=0, adj=10 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 -31:sc= -1.65! USER MOD Set 1.2: A 246 CYS SG : rot 13:sc= -3.5 USER MOD Set 2.1: A 185 HIS : no HD1:sc= -7.67! C(o=-11!,f=-28!) USER MOD Set 2.2: A 245 TYR OH : rot 29:sc= -3.77! USER MOD Single : A 184 ASN : amide:sc= -2.58 K(o=-2.6,f=-5.5!) USER MOD Single : A 210 ASN : amide:sc= -0.403 X(o=-0.4,f=-0.0066) USER MOD Single : A 211 TYR OH : rot 180:sc= 0 USER MOD Single : A 216 LYS NZ :NH3+ 169:sc= -0.236 (180deg=-0.394) USER MOD Single : A 225 ASN :FLIP amide:sc= -0.216 F(o=-0.77,f=-0.22) USER MOD Single : A 226 THR OG1 : rot -76:sc= 0.676 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= -0.136 K(o=-0.14,f=-1.4) USER MOD Single : A 240 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.06) USER MOD Single : A 244 ASN : amide:sc= -0.0394 X(o=-0.039,f=0.035) 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) USER MOD ----------------------------------------------------------------- ATOM 105 N ILE A 179 6.005 -1.120 -3.984 1.00 0.00 N ATOM 106 CA ILE A 179 5.358 -2.111 -3.077 1.00 0.00 C ATOM 107 C ILE A 179 6.018 -3.482 -3.250 1.00 0.00 C ATOM 108 O ILE A 179 6.083 -4.013 -4.341 1.00 0.00 O ATOM 109 CB ILE A 179 3.871 -2.131 -3.493 1.00 0.00 C ATOM 110 CG1 ILE A 179 3.006 -2.110 -2.236 1.00 0.00 C ATOM 111 CG2 ILE A 179 3.530 -3.389 -4.308 1.00 0.00 C ATOM 112 CD1 ILE A 179 1.530 -2.208 -2.624 1.00 0.00 C ATOM 0 HA ILE A 179 5.462 -1.852 -2.023 1.00 0.00 H new ATOM 0 HB ILE A 179 3.679 -1.257 -4.115 1.00 0.00 H new ATOM 0 HG12 ILE A 179 3.276 -2.940 -1.583 1.00 0.00 H new ATOM 0 HG13 ILE A 179 3.184 -1.192 -1.675 1.00 0.00 H new ATOM 0 HG21 ILE A 179 2.476 -3.369 -4.584 1.00 0.00 H new ATOM 0 HG22 ILE A 179 4.140 -3.414 -5.211 1.00 0.00 H new ATOM 0 HG23 ILE A 179 3.732 -4.277 -3.709 1.00 0.00 H new ATOM 0 HD11 ILE A 179 0.915 -2.193 -1.724 1.00 0.00 H new ATOM 0 HD12 ILE A 179 1.264 -1.363 -3.259 1.00 0.00 H new ATOM 0 HD13 ILE A 179 1.357 -3.138 -3.166 1.00 0.00 H new ATOM 124 N ASP A 180 6.498 -4.068 -2.188 1.00 0.00 N ATOM 125 CA ASP A 180 7.133 -5.404 -2.322 1.00 0.00 C ATOM 126 C ASP A 180 6.071 -6.488 -2.179 1.00 0.00 C ATOM 127 O ASP A 180 5.984 -7.394 -2.986 1.00 0.00 O ATOM 128 CB ASP A 180 8.149 -5.490 -1.184 1.00 0.00 C ATOM 129 CG ASP A 180 9.322 -6.373 -1.613 1.00 0.00 C ATOM 130 OD1 ASP A 180 10.188 -5.873 -2.312 1.00 0.00 O ATOM 131 OD2 ASP A 180 9.334 -7.532 -1.236 1.00 0.00 O ATOM 0 H ASP A 180 6.478 -3.683 -1.244 1.00 0.00 H new ATOM 0 HA ASP A 180 7.612 -5.542 -3.291 1.00 0.00 H new ATOM 0 HB2 ASP A 180 8.506 -4.493 -0.925 1.00 0.00 H new ATOM 0 HB3 ASP A 180 7.677 -5.902 -0.292 1.00 0.00 H new ATOM 136 N ILE A 181 5.259 -6.406 -1.160 1.00 0.00 N ATOM 137 CA ILE A 181 4.212 -7.444 -0.969 1.00 0.00 C ATOM 138 C ILE A 181 3.087 -6.940 -0.058 1.00 0.00 C ATOM 139 O ILE A 181 3.316 -6.234 0.900 1.00 0.00 O ATOM 140 CB ILE A 181 4.949 -8.588 -0.277 1.00 0.00 C ATOM 141 CG1 ILE A 181 5.831 -9.334 -1.278 1.00 0.00 C ATOM 142 CG2 ILE A 181 3.939 -9.565 0.333 1.00 0.00 C ATOM 143 CD1 ILE A 181 6.368 -10.602 -0.617 1.00 0.00 C ATOM 0 H ILE A 181 5.277 -5.668 -0.456 1.00 0.00 H new ATOM 0 HA ILE A 181 3.747 -7.729 -1.913 1.00 0.00 H new ATOM 0 HB ILE A 181 5.576 -8.170 0.511 1.00 0.00 H new ATOM 0 HG12 ILE A 181 5.257 -9.588 -2.169 1.00 0.00 H new ATOM 0 HG13 ILE A 181 6.656 -8.699 -1.600 1.00 0.00 H new ATOM 0 HG21 ILE A 181 4.472 -10.379 0.825 1.00 0.00 H new ATOM 0 HG22 ILE A 181 3.322 -9.042 1.063 1.00 0.00 H new ATOM 0 HG23 ILE A 181 3.304 -9.971 -0.455 1.00 0.00 H new ATOM 0 HD11 ILE A 181 6.999 -11.141 -1.324 1.00 0.00 H new ATOM 0 HD12 ILE A 181 6.955 -10.334 0.262 1.00 0.00 H new ATOM 0 HD13 ILE A 181 5.534 -11.237 -0.317 1.00 0.00 H new ATOM 155 N VAL A 182 1.876 -7.332 -0.332 1.00 0.00 N ATOM 156 CA VAL A 182 0.742 -6.917 0.537 1.00 0.00 C ATOM 157 C VAL A 182 0.553 -7.973 1.632 1.00 0.00 C ATOM 158 O VAL A 182 -0.123 -8.967 1.445 1.00 0.00 O ATOM 159 CB VAL A 182 -0.472 -6.856 -0.389 1.00 0.00 C ATOM 160 CG1 VAL A 182 -1.636 -6.194 0.345 1.00 0.00 C ATOM 161 CG2 VAL A 182 -0.114 -6.032 -1.627 1.00 0.00 C ATOM 0 H VAL A 182 1.622 -7.924 -1.123 1.00 0.00 H new ATOM 0 HA VAL A 182 0.903 -5.958 1.029 1.00 0.00 H new ATOM 0 HB VAL A 182 -0.760 -7.864 -0.689 1.00 0.00 H new ATOM 0 HG11 VAL A 182 -2.503 -6.149 -0.314 1.00 0.00 H new ATOM 0 HG12 VAL A 182 -1.884 -6.776 1.233 1.00 0.00 H new ATOM 0 HG13 VAL A 182 -1.352 -5.184 0.641 1.00 0.00 H new ATOM 0 HG21 VAL A 182 -0.975 -5.984 -2.293 1.00 0.00 H new ATOM 0 HG22 VAL A 182 0.168 -5.024 -1.324 1.00 0.00 H new ATOM 0 HG23 VAL A 182 0.721 -6.501 -2.147 1.00 0.00 H new ATOM 171 N ILE A 183 1.174 -7.774 2.762 1.00 0.00 N ATOM 172 CA ILE A 183 1.074 -8.772 3.871 1.00 0.00 C ATOM 173 C ILE A 183 -0.386 -9.074 4.217 1.00 0.00 C ATOM 174 O ILE A 183 -0.723 -10.173 4.608 1.00 0.00 O ATOM 175 CB ILE A 183 1.763 -8.111 5.067 1.00 0.00 C ATOM 176 CG1 ILE A 183 3.200 -7.739 4.702 1.00 0.00 C ATOM 177 CG2 ILE A 183 1.785 -9.087 6.243 1.00 0.00 C ATOM 178 CD1 ILE A 183 3.934 -8.977 4.189 1.00 0.00 C ATOM 0 H ILE A 183 1.751 -6.958 2.968 1.00 0.00 H new ATOM 0 HA ILE A 183 1.533 -9.720 3.591 1.00 0.00 H new ATOM 0 HB ILE A 183 1.214 -7.210 5.340 1.00 0.00 H new ATOM 0 HG12 ILE A 183 3.202 -6.960 3.940 1.00 0.00 H new ATOM 0 HG13 ILE A 183 3.714 -7.334 5.573 1.00 0.00 H new ATOM 0 HG21 ILE A 183 2.275 -8.618 7.096 1.00 0.00 H new ATOM 0 HG22 ILE A 183 0.763 -9.354 6.513 1.00 0.00 H new ATOM 0 HG23 ILE A 183 2.332 -9.986 5.959 1.00 0.00 H new ATOM 0 HD11 ILE A 183 4.959 -8.711 3.929 1.00 0.00 H new ATOM 0 HD12 ILE A 183 3.944 -9.742 4.965 1.00 0.00 H new ATOM 0 HD13 ILE A 183 3.424 -9.363 3.306 1.00 0.00 H new ATOM 190 N ASN A 184 -1.251 -8.110 4.091 1.00 0.00 N ATOM 191 CA ASN A 184 -2.681 -8.353 4.432 1.00 0.00 C ATOM 192 C ASN A 184 -3.504 -7.094 4.165 1.00 0.00 C ATOM 193 O ASN A 184 -3.034 -6.149 3.564 1.00 0.00 O ATOM 194 CB ASN A 184 -2.676 -8.678 5.927 1.00 0.00 C ATOM 195 CG ASN A 184 -2.954 -10.168 6.130 1.00 0.00 C ATOM 196 OD1 ASN A 184 -2.919 -10.937 5.190 1.00 0.00 O ATOM 197 ND2 ASN A 184 -3.232 -10.610 7.325 1.00 0.00 N ATOM 0 H ASN A 184 -1.033 -7.167 3.768 1.00 0.00 H new ATOM 0 HA ASN A 184 -3.120 -9.155 3.838 1.00 0.00 H new ATOM 0 HB2 ASN A 184 -1.712 -8.415 6.363 1.00 0.00 H new ATOM 0 HB3 ASN A 184 -3.431 -8.084 6.441 1.00 0.00 H new ATOM 0 HD21 ASN A 184 -3.420 -11.602 7.471 1.00 0.00 H new ATOM 0 HD22 ASN A 184 -3.261 -9.964 8.114 1.00 0.00 H new ATOM 204 N HIS A 185 -4.729 -7.067 4.614 1.00 0.00 N ATOM 205 CA HIS A 185 -5.570 -5.863 4.386 1.00 0.00 C ATOM 206 C HIS A 185 -6.839 -5.931 5.243 1.00 0.00 C ATOM 207 O HIS A 185 -7.136 -6.941 5.849 1.00 0.00 O ATOM 208 CB HIS A 185 -5.913 -5.899 2.891 1.00 0.00 C ATOM 209 CG HIS A 185 -7.068 -6.835 2.649 1.00 0.00 C ATOM 210 ND1 HIS A 185 -6.898 -8.201 2.488 1.00 0.00 N ATOM 211 CD2 HIS A 185 -8.415 -6.611 2.544 1.00 0.00 C ATOM 212 CE1 HIS A 185 -8.117 -8.740 2.297 1.00 0.00 C ATOM 213 NE2 HIS A 185 -9.077 -7.815 2.322 1.00 0.00 N ATOM 0 H HIS A 185 -5.181 -7.824 5.127 1.00 0.00 H new ATOM 0 HA HIS A 185 -5.060 -4.940 4.661 1.00 0.00 H new ATOM 0 HB2 HIS A 185 -6.167 -4.898 2.544 1.00 0.00 H new ATOM 0 HB3 HIS A 185 -5.045 -6.224 2.318 1.00 0.00 H new ATOM 0 HD2 HIS A 185 -8.892 -5.645 2.622 1.00 0.00 H new ATOM 0 HE1 HIS A 185 -8.296 -9.794 2.142 1.00 0.00 H new ATOM 0 HE2 HIS A 185 -10.080 -7.959 2.204 1.00 0.00 H new ATOM 221 N ARG A 186 -7.590 -4.865 5.289 1.00 0.00 N ATOM 222 CA ARG A 186 -8.842 -4.866 6.098 1.00 0.00 C ATOM 223 C ARG A 186 -9.457 -3.466 6.113 1.00 0.00 C ATOM 224 O ARG A 186 -8.826 -2.495 5.743 1.00 0.00 O ATOM 225 CB ARG A 186 -8.411 -5.273 7.507 1.00 0.00 C ATOM 226 CG ARG A 186 -7.149 -4.502 7.897 1.00 0.00 C ATOM 227 CD ARG A 186 -7.384 -3.788 9.229 1.00 0.00 C ATOM 228 NE ARG A 186 -7.674 -4.876 10.202 1.00 0.00 N ATOM 229 CZ ARG A 186 -7.392 -4.714 11.466 1.00 0.00 C ATOM 230 NH1 ARG A 186 -6.159 -4.820 11.878 1.00 0.00 N ATOM 231 NH2 ARG A 186 -8.343 -4.446 12.318 1.00 0.00 N ATOM 0 H ARG A 186 -7.390 -3.992 4.801 1.00 0.00 H new ATOM 0 HA ARG A 186 -9.593 -5.544 5.692 1.00 0.00 H new ATOM 0 HB2 ARG A 186 -9.211 -5.065 8.218 1.00 0.00 H new ATOM 0 HB3 ARG A 186 -8.221 -6.346 7.545 1.00 0.00 H new ATOM 0 HG2 ARG A 186 -6.303 -5.185 7.981 1.00 0.00 H new ATOM 0 HG3 ARG A 186 -6.898 -3.778 7.122 1.00 0.00 H new ATOM 0 HD2 ARG A 186 -6.508 -3.213 9.529 1.00 0.00 H new ATOM 0 HD3 ARG A 186 -8.216 -3.088 9.160 1.00 0.00 H new ATOM 0 HE ARG A 186 -8.093 -5.749 9.881 1.00 0.00 H new ATOM 0 HH11 ARG A 186 -5.415 -5.029 11.212 1.00 0.00 H new ATOM 0 HH12 ARG A 186 -5.939 -4.693 12.866 1.00 0.00 H new ATOM 0 HH21 ARG A 186 -9.307 -4.363 11.996 1.00 0.00 H new ATOM 0 HH22 ARG A 186 -8.122 -4.320 13.306 1.00 0.00 H new ATOM 612 N ASN A 210 -13.135 1.265 0.397 1.00 0.00 N ATOM 613 CA ASN A 210 -13.194 1.261 1.890 1.00 0.00 C ATOM 614 C ASN A 210 -12.366 0.106 2.461 1.00 0.00 C ATOM 615 O ASN A 210 -12.893 -0.785 3.097 1.00 0.00 O ATOM 616 CB ASN A 210 -14.672 1.071 2.227 1.00 0.00 C ATOM 617 CG ASN A 210 -15.418 2.390 2.022 1.00 0.00 C ATOM 618 OD1 ASN A 210 -16.464 2.420 1.403 1.00 0.00 O ATOM 619 ND2 ASN A 210 -14.924 3.491 2.520 1.00 0.00 N ATOM 0 HA ASN A 210 -12.788 2.179 2.315 1.00 0.00 H new ATOM 0 HB2 ASN A 210 -15.103 0.295 1.594 1.00 0.00 H new ATOM 0 HB3 ASN A 210 -14.780 0.737 3.259 1.00 0.00 H new ATOM 0 HD21 ASN A 210 -15.416 4.375 2.390 1.00 0.00 H new ATOM 0 HD22 ASN A 210 -14.047 3.467 3.040 1.00 0.00 H new ATOM 626 N TYR A 211 -11.079 0.111 2.249 1.00 0.00 N ATOM 627 CA TYR A 211 -10.236 -0.996 2.791 1.00 0.00 C ATOM 628 C TYR A 211 -8.765 -0.586 2.851 1.00 0.00 C ATOM 629 O TYR A 211 -8.261 0.096 1.981 1.00 0.00 O ATOM 630 CB TYR A 211 -10.403 -2.143 1.801 1.00 0.00 C ATOM 631 CG TYR A 211 -11.343 -3.180 2.364 1.00 0.00 C ATOM 632 CD1 TYR A 211 -10.847 -4.209 3.172 1.00 0.00 C ATOM 633 CD2 TYR A 211 -12.709 -3.121 2.067 1.00 0.00 C ATOM 634 CE1 TYR A 211 -11.718 -5.177 3.686 1.00 0.00 C ATOM 635 CE2 TYR A 211 -13.580 -4.087 2.578 1.00 0.00 C ATOM 636 CZ TYR A 211 -13.084 -5.117 3.387 1.00 0.00 C ATOM 637 OH TYR A 211 -13.943 -6.070 3.892 1.00 0.00 O ATOM 0 H TYR A 211 -10.575 0.828 1.727 1.00 0.00 H new ATOM 0 HA TYR A 211 -10.536 -1.264 3.804 1.00 0.00 H new ATOM 0 HB2 TYR A 211 -10.791 -1.764 0.855 1.00 0.00 H new ATOM 0 HB3 TYR A 211 -9.434 -2.595 1.590 1.00 0.00 H new ATOM 0 HD1 TYR A 211 -9.792 -4.256 3.399 1.00 0.00 H new ATOM 0 HD2 TYR A 211 -13.091 -2.328 1.442 1.00 0.00 H new ATOM 0 HE1 TYR A 211 -11.336 -5.969 4.313 1.00 0.00 H new ATOM 0 HE2 TYR A 211 -14.634 -4.039 2.349 1.00 0.00 H new ATOM 0 HH TYR A 211 -14.856 -5.881 3.589 1.00 0.00 H new ATOM 647 N GLU A 212 -8.067 -1.026 3.860 1.00 0.00 N ATOM 648 CA GLU A 212 -6.619 -0.697 3.967 1.00 0.00 C ATOM 649 C GLU A 212 -5.809 -1.914 3.527 1.00 0.00 C ATOM 650 O GLU A 212 -6.358 -2.965 3.266 1.00 0.00 O ATOM 651 CB GLU A 212 -6.384 -0.392 5.447 1.00 0.00 C ATOM 652 CG GLU A 212 -5.801 1.014 5.594 1.00 0.00 C ATOM 653 CD GLU A 212 -5.170 1.164 6.979 1.00 0.00 C ATOM 654 OE1 GLU A 212 -5.130 0.181 7.700 1.00 0.00 O ATOM 655 OE2 GLU A 212 -4.738 2.261 7.297 1.00 0.00 O ATOM 0 H GLU A 212 -8.438 -1.601 4.617 1.00 0.00 H new ATOM 0 HA GLU A 212 -6.322 0.145 3.342 1.00 0.00 H new ATOM 0 HB2 GLU A 212 -7.322 -0.467 5.998 1.00 0.00 H new ATOM 0 HB3 GLU A 212 -5.702 -1.126 5.876 1.00 0.00 H new ATOM 0 HG2 GLU A 212 -5.053 1.191 4.821 1.00 0.00 H new ATOM 0 HG3 GLU A 212 -6.584 1.760 5.457 1.00 0.00 H new ATOM 662 N PHE A 213 -4.518 -1.794 3.432 1.00 0.00 N ATOM 663 CA PHE A 213 -3.706 -2.965 2.999 1.00 0.00 C ATOM 664 C PHE A 213 -2.322 -2.931 3.643 1.00 0.00 C ATOM 665 O PHE A 213 -1.595 -1.965 3.515 1.00 0.00 O ATOM 666 CB PHE A 213 -3.562 -2.807 1.484 1.00 0.00 C ATOM 667 CG PHE A 213 -4.852 -3.172 0.794 1.00 0.00 C ATOM 668 CD1 PHE A 213 -5.107 -4.504 0.442 1.00 0.00 C ATOM 669 CD2 PHE A 213 -5.789 -2.177 0.493 1.00 0.00 C ATOM 670 CE1 PHE A 213 -6.298 -4.838 -0.211 1.00 0.00 C ATOM 671 CE2 PHE A 213 -6.981 -2.511 -0.158 1.00 0.00 C ATOM 672 CZ PHE A 213 -7.236 -3.842 -0.511 1.00 0.00 C ATOM 0 H PHE A 213 -3.991 -0.944 3.633 1.00 0.00 H new ATOM 0 HA PHE A 213 -4.176 -3.906 3.286 1.00 0.00 H new ATOM 0 HB2 PHE A 213 -3.291 -1.779 1.243 1.00 0.00 H new ATOM 0 HB3 PHE A 213 -2.755 -3.443 1.120 1.00 0.00 H new ATOM 0 HD1 PHE A 213 -4.384 -5.272 0.675 1.00 0.00 H new ATOM 0 HD2 PHE A 213 -5.591 -1.150 0.764 1.00 0.00 H new ATOM 0 HE1 PHE A 213 -6.494 -5.864 -0.484 1.00 0.00 H new ATOM 0 HE2 PHE A 213 -7.704 -1.743 -0.388 1.00 0.00 H new ATOM 0 HZ PHE A 213 -8.156 -4.100 -1.015 1.00 0.00 H new ATOM 682 N LEU A 214 -1.928 -3.982 4.307 1.00 0.00 N ATOM 683 CA LEU A 214 -0.567 -3.987 4.908 1.00 0.00 C ATOM 684 C LEU A 214 0.438 -4.067 3.772 1.00 0.00 C ATOM 685 O LEU A 214 0.501 -5.044 3.054 1.00 0.00 O ATOM 686 CB LEU A 214 -0.500 -5.238 5.779 1.00 0.00 C ATOM 687 CG LEU A 214 0.757 -5.227 6.665 1.00 0.00 C ATOM 688 CD1 LEU A 214 1.067 -3.818 7.171 1.00 0.00 C ATOM 689 CD2 LEU A 214 0.521 -6.152 7.859 1.00 0.00 C ATOM 0 H LEU A 214 -2.481 -4.826 4.458 1.00 0.00 H new ATOM 0 HA LEU A 214 -0.353 -3.098 5.502 1.00 0.00 H new ATOM 0 HB2 LEU A 214 -1.390 -5.297 6.405 1.00 0.00 H new ATOM 0 HB3 LEU A 214 -0.496 -6.126 5.147 1.00 0.00 H new ATOM 0 HG LEU A 214 1.606 -5.569 6.073 1.00 0.00 H new ATOM 0 HD11 LEU A 214 1.961 -3.844 7.794 1.00 0.00 H new ATOM 0 HD12 LEU A 214 1.235 -3.155 6.322 1.00 0.00 H new ATOM 0 HD13 LEU A 214 0.226 -3.449 7.758 1.00 0.00 H new ATOM 0 HD21 LEU A 214 1.405 -6.155 8.497 1.00 0.00 H new ATOM 0 HD22 LEU A 214 -0.338 -5.798 8.429 1.00 0.00 H new ATOM 0 HD23 LEU A 214 0.328 -7.164 7.503 1.00 0.00 H new ATOM 701 N ILE A 215 1.189 -3.035 3.569 1.00 0.00 N ATOM 702 CA ILE A 215 2.144 -3.046 2.440 1.00 0.00 C ATOM 703 C ILE A 215 3.565 -3.393 2.880 1.00 0.00 C ATOM 704 O ILE A 215 4.250 -2.593 3.482 1.00 0.00 O ATOM 705 CB ILE A 215 2.106 -1.625 1.904 1.00 0.00 C ATOM 706 CG1 ILE A 215 0.655 -1.166 1.738 1.00 0.00 C ATOM 707 CG2 ILE A 215 2.818 -1.591 0.561 1.00 0.00 C ATOM 708 CD1 ILE A 215 -0.125 -2.198 0.932 1.00 0.00 C ATOM 0 H ILE A 215 1.185 -2.185 4.133 1.00 0.00 H new ATOM 0 HA ILE A 215 1.870 -3.801 1.703 1.00 0.00 H new ATOM 0 HB ILE A 215 2.604 -0.954 2.604 1.00 0.00 H new ATOM 0 HG12 ILE A 215 0.193 -1.030 2.716 1.00 0.00 H new ATOM 0 HG13 ILE A 215 0.625 -0.200 1.234 1.00 0.00 H new ATOM 0 HG21 ILE A 215 2.798 -0.576 0.164 1.00 0.00 H new ATOM 0 HG22 ILE A 215 3.852 -1.910 0.689 1.00 0.00 H new ATOM 0 HG23 ILE A 215 2.315 -2.262 -0.135 1.00 0.00 H new ATOM 0 HD11 ILE A 215 -1.157 -1.866 0.817 1.00 0.00 H new ATOM 0 HD12 ILE A 215 0.331 -2.312 -0.051 1.00 0.00 H new ATOM 0 HD13 ILE A 215 -0.108 -3.155 1.453 1.00 0.00 H new ATOM 720 N LYS A 216 4.029 -4.564 2.542 1.00 0.00 N ATOM 721 CA LYS A 216 5.429 -4.929 2.896 1.00 0.00 C ATOM 722 C LYS A 216 6.375 -4.155 1.969 1.00 0.00 C ATOM 723 O LYS A 216 6.654 -4.573 0.863 1.00 0.00 O ATOM 724 CB LYS A 216 5.547 -6.438 2.645 1.00 0.00 C ATOM 725 CG LYS A 216 7.006 -6.867 2.797 1.00 0.00 C ATOM 726 CD LYS A 216 7.078 -8.386 2.967 1.00 0.00 C ATOM 727 CE LYS A 216 8.257 -8.934 2.163 1.00 0.00 C ATOM 728 NZ LYS A 216 8.273 -10.395 2.451 1.00 0.00 N ATOM 0 H LYS A 216 3.504 -5.279 2.040 1.00 0.00 H new ATOM 0 HA LYS A 216 5.682 -4.689 3.929 1.00 0.00 H new ATOM 0 HB2 LYS A 216 4.921 -6.985 3.350 1.00 0.00 H new ATOM 0 HB3 LYS A 216 5.188 -6.680 1.645 1.00 0.00 H new ATOM 0 HG2 LYS A 216 7.579 -6.561 1.922 1.00 0.00 H new ATOM 0 HG3 LYS A 216 7.453 -6.373 3.659 1.00 0.00 H new ATOM 0 HD2 LYS A 216 7.194 -8.640 4.021 1.00 0.00 H new ATOM 0 HD3 LYS A 216 6.149 -8.845 2.629 1.00 0.00 H new ATOM 0 HE2 LYS A 216 8.131 -8.743 1.097 1.00 0.00 H new ATOM 0 HE3 LYS A 216 9.193 -8.462 2.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 216 8.929 -10.870 1.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 216 8.584 -10.552 3.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 216 7.317 -10.784 2.325 1.00 0.00 H new ATOM 742 N TRP A 217 6.851 -3.016 2.392 1.00 0.00 N ATOM 743 CA TRP A 217 7.757 -2.222 1.511 1.00 0.00 C ATOM 744 C TRP A 217 9.169 -2.812 1.530 1.00 0.00 C ATOM 745 O TRP A 217 9.396 -3.884 2.055 1.00 0.00 O ATOM 746 CB TRP A 217 7.757 -0.810 2.099 1.00 0.00 C ATOM 747 CG TRP A 217 6.355 -0.294 2.168 1.00 0.00 C ATOM 748 CD1 TRP A 217 5.544 -0.398 3.244 1.00 0.00 C ATOM 749 CD2 TRP A 217 5.584 0.399 1.142 1.00 0.00 C ATOM 750 NE1 TRP A 217 4.332 0.196 2.951 1.00 0.00 N ATOM 751 CE2 TRP A 217 4.303 0.696 1.666 1.00 0.00 C ATOM 752 CE3 TRP A 217 5.869 0.797 -0.178 1.00 0.00 C ATOM 753 CZ2 TRP A 217 3.335 1.362 0.906 1.00 0.00 C ATOM 754 CZ3 TRP A 217 4.899 1.467 -0.944 1.00 0.00 C ATOM 755 CH2 TRP A 217 3.635 1.747 -0.403 1.00 0.00 C ATOM 0 H TRP A 217 6.654 -2.602 3.303 1.00 0.00 H new ATOM 0 HA TRP A 217 7.425 -2.228 0.473 1.00 0.00 H new ATOM 0 HB2 TRP A 217 8.201 -0.820 3.095 1.00 0.00 H new ATOM 0 HB3 TRP A 217 8.368 -0.149 1.484 1.00 0.00 H new ATOM 0 HD1 TRP A 217 5.802 -0.869 4.181 1.00 0.00 H new ATOM 0 HE1 TRP A 217 3.552 0.257 3.606 1.00 0.00 H new ATOM 0 HE3 TRP A 217 6.839 0.586 -0.605 1.00 0.00 H new ATOM 0 HZ2 TRP A 217 2.364 1.577 1.328 1.00 0.00 H new ATOM 0 HZ3 TRP A 217 5.128 1.768 -1.956 1.00 0.00 H new ATOM 0 HH2 TRP A 217 2.894 2.260 -0.998 1.00 0.00 H new ATOM 871 N ASN A 225 7.227 -3.210 6.808 1.00 0.00 N ATOM 872 CA ASN A 225 5.781 -3.405 6.500 1.00 0.00 C ATOM 873 C ASN A 225 4.938 -2.377 7.256 1.00 0.00 C ATOM 874 O ASN A 225 5.201 -2.058 8.399 1.00 0.00 O ATOM 875 CB ASN A 225 5.456 -4.825 6.968 1.00 0.00 C ATOM 876 CG ASN A 225 5.553 -4.902 8.492 1.00 0.00 C ATOM 877 OD1 ASN A 225 4.497 -4.651 9.214 1.00 0.00 O flip ATOM 878 ND2 ASN A 225 6.601 -5.198 9.030 1.00 0.00 N flip ATOM 0 HA ASN A 225 5.564 -3.273 5.440 1.00 0.00 H new ATOM 0 HB2 ASN A 225 4.454 -5.104 6.644 1.00 0.00 H new ATOM 0 HB3 ASN A 225 6.147 -5.535 6.514 1.00 0.00 H new ATOM 0 HD21 ASN A 225 7.427 -5.394 8.465 1.00 0.00 H new ATOM 0 HD22 ASN A 225 6.655 -5.250 10.047 1.00 0.00 H new ATOM 885 N THR A 226 3.924 -1.861 6.622 1.00 0.00 N ATOM 886 CA THR A 226 3.053 -0.854 7.281 1.00 0.00 C ATOM 887 C THR A 226 1.656 -0.925 6.667 1.00 0.00 C ATOM 888 O THR A 226 1.436 -1.610 5.689 1.00 0.00 O ATOM 889 CB THR A 226 3.707 0.498 6.991 1.00 0.00 C ATOM 890 OG1 THR A 226 3.917 0.630 5.592 1.00 0.00 O ATOM 891 CG2 THR A 226 5.049 0.584 7.721 1.00 0.00 C ATOM 0 H THR A 226 3.660 -2.097 5.666 1.00 0.00 H new ATOM 0 HA THR A 226 2.950 -1.019 8.353 1.00 0.00 H new ATOM 0 HB THR A 226 3.055 1.300 7.338 1.00 0.00 H new ATOM 0 HG1 THR A 226 4.684 0.082 5.323 1.00 0.00 H new ATOM 0 HG21 THR A 226 5.515 1.548 7.514 1.00 0.00 H new ATOM 0 HG22 THR A 226 4.887 0.482 8.794 1.00 0.00 H new ATOM 0 HG23 THR A 226 5.703 -0.217 7.376 1.00 0.00 H new ATOM 899 N TRP A 227 0.705 -0.241 7.230 1.00 0.00 N ATOM 900 CA TRP A 227 -0.667 -0.307 6.664 1.00 0.00 C ATOM 901 C TRP A 227 -1.009 0.964 5.890 1.00 0.00 C ATOM 902 O TRP A 227 -1.253 2.011 6.457 1.00 0.00 O ATOM 903 CB TRP A 227 -1.574 -0.488 7.875 1.00 0.00 C ATOM 904 CG TRP A 227 -1.534 -1.926 8.266 1.00 0.00 C ATOM 905 CD1 TRP A 227 -0.575 -2.499 9.030 1.00 0.00 C ATOM 906 CD2 TRP A 227 -2.459 -2.988 7.901 1.00 0.00 C ATOM 907 NE1 TRP A 227 -0.858 -3.846 9.163 1.00 0.00 N ATOM 908 CE2 TRP A 227 -2.011 -4.194 8.488 1.00 0.00 C ATOM 909 CE3 TRP A 227 -3.633 -3.022 7.130 1.00 0.00 C ATOM 910 CZ2 TRP A 227 -2.702 -5.391 8.312 1.00 0.00 C ATOM 911 CZ3 TRP A 227 -4.331 -4.227 6.951 1.00 0.00 C ATOM 912 CH2 TRP A 227 -3.862 -5.410 7.543 1.00 0.00 C ATOM 0 H TRP A 227 0.815 0.356 8.050 1.00 0.00 H new ATOM 0 HA TRP A 227 -0.779 -1.120 5.947 1.00 0.00 H new ATOM 0 HB2 TRP A 227 -1.239 0.141 8.700 1.00 0.00 H new ATOM 0 HB3 TRP A 227 -2.594 -0.186 7.637 1.00 0.00 H new ATOM 0 HD1 TRP A 227 0.272 -1.988 9.464 1.00 0.00 H new ATOM 0 HE1 TRP A 227 -0.285 -4.502 9.694 1.00 0.00 H new ATOM 0 HE3 TRP A 227 -4.001 -2.116 6.672 1.00 0.00 H new ATOM 0 HZ2 TRP A 227 -2.339 -6.299 8.770 1.00 0.00 H new ATOM 0 HZ3 TRP A 227 -5.232 -4.244 6.356 1.00 0.00 H new ATOM 0 HH2 TRP A 227 -4.401 -6.335 7.402 1.00 0.00 H new ATOM 923 N GLU A 228 -1.035 0.867 4.591 1.00 0.00 N ATOM 924 CA GLU A 228 -1.367 2.051 3.755 1.00 0.00 C ATOM 925 C GLU A 228 -2.732 1.852 3.095 1.00 0.00 C ATOM 926 O GLU A 228 -3.449 0.919 3.397 1.00 0.00 O ATOM 927 CB GLU A 228 -0.266 2.119 2.697 1.00 0.00 C ATOM 928 CG GLU A 228 1.101 2.136 3.384 1.00 0.00 C ATOM 929 CD GLU A 228 1.848 3.421 3.018 1.00 0.00 C ATOM 930 OE1 GLU A 228 1.401 4.108 2.115 1.00 0.00 O ATOM 931 OE2 GLU A 228 2.856 3.694 3.647 1.00 0.00 O ATOM 0 H GLU A 228 -0.839 0.012 4.070 1.00 0.00 H new ATOM 0 HA GLU A 228 -1.420 2.969 4.340 1.00 0.00 H new ATOM 0 HB2 GLU A 228 -0.337 1.262 2.027 1.00 0.00 H new ATOM 0 HB3 GLU A 228 -0.389 3.013 2.086 1.00 0.00 H new ATOM 0 HG2 GLU A 228 0.976 2.072 4.465 1.00 0.00 H new ATOM 0 HG3 GLU A 228 1.683 1.266 3.079 1.00 0.00 H new ATOM 938 N THR A 229 -3.093 2.720 2.195 1.00 0.00 N ATOM 939 CA THR A 229 -4.404 2.583 1.509 1.00 0.00 C ATOM 940 C THR A 229 -4.234 2.924 0.032 1.00 0.00 C ATOM 941 O THR A 229 -3.376 3.699 -0.336 1.00 0.00 O ATOM 942 CB THR A 229 -5.321 3.596 2.193 1.00 0.00 C ATOM 943 OG1 THR A 229 -4.595 4.788 2.456 1.00 0.00 O ATOM 944 CG2 THR A 229 -5.837 3.009 3.507 1.00 0.00 C ATOM 0 H THR A 229 -2.534 3.522 1.904 1.00 0.00 H new ATOM 0 HA THR A 229 -4.810 1.573 1.570 1.00 0.00 H new ATOM 0 HB THR A 229 -6.165 3.822 1.542 1.00 0.00 H new ATOM 0 HG1 THR A 229 -5.183 5.439 2.893 1.00 0.00 H new ATOM 0 HG21 THR A 229 -6.491 3.731 3.996 1.00 0.00 H new ATOM 0 HG22 THR A 229 -6.394 2.094 3.303 1.00 0.00 H new ATOM 0 HG23 THR A 229 -4.994 2.783 4.160 1.00 0.00 H new ATOM 952 N TYR A 230 -5.030 2.351 -0.818 1.00 0.00 N ATOM 953 CA TYR A 230 -4.890 2.650 -2.267 1.00 0.00 C ATOM 954 C TYR A 230 -4.716 4.153 -2.484 1.00 0.00 C ATOM 955 O TYR A 230 -3.997 4.586 -3.361 1.00 0.00 O ATOM 956 CB TYR A 230 -6.197 2.171 -2.900 1.00 0.00 C ATOM 957 CG TYR A 230 -5.988 0.844 -3.585 1.00 0.00 C ATOM 958 CD1 TYR A 230 -5.106 0.743 -4.667 1.00 0.00 C ATOM 959 CD2 TYR A 230 -6.691 -0.285 -3.145 1.00 0.00 C ATOM 960 CE1 TYR A 230 -4.925 -0.489 -5.308 1.00 0.00 C ATOM 961 CE2 TYR A 230 -6.509 -1.516 -3.786 1.00 0.00 C ATOM 962 CZ TYR A 230 -5.626 -1.618 -4.868 1.00 0.00 C ATOM 963 OH TYR A 230 -5.451 -2.829 -5.505 1.00 0.00 O ATOM 0 H TYR A 230 -5.769 1.691 -0.576 1.00 0.00 H new ATOM 0 HA TYR A 230 -4.019 2.161 -2.704 1.00 0.00 H new ATOM 0 HB2 TYR A 230 -6.967 2.076 -2.134 1.00 0.00 H new ATOM 0 HB3 TYR A 230 -6.553 2.908 -3.620 1.00 0.00 H new ATOM 0 HD1 TYR A 230 -4.566 1.614 -5.007 1.00 0.00 H new ATOM 0 HD2 TYR A 230 -7.373 -0.206 -2.311 1.00 0.00 H new ATOM 0 HE1 TYR A 230 -4.244 -0.568 -6.142 1.00 0.00 H new ATOM 0 HE2 TYR A 230 -7.050 -2.387 -3.446 1.00 0.00 H new ATOM 0 HH TYR A 230 -5.251 -2.675 -6.452 1.00 0.00 H new ATOM 973 N GLU A 231 -5.374 4.950 -1.691 1.00 0.00 N ATOM 974 CA GLU A 231 -5.252 6.426 -1.850 1.00 0.00 C ATOM 975 C GLU A 231 -3.825 6.878 -1.526 1.00 0.00 C ATOM 976 O GLU A 231 -3.464 8.019 -1.731 1.00 0.00 O ATOM 977 CB GLU A 231 -6.242 7.016 -0.846 1.00 0.00 C ATOM 978 CG GLU A 231 -7.397 7.680 -1.598 1.00 0.00 C ATOM 979 CD GLU A 231 -6.928 9.014 -2.181 1.00 0.00 C ATOM 980 OE1 GLU A 231 -5.775 9.096 -2.570 1.00 0.00 O ATOM 981 OE2 GLU A 231 -7.731 9.933 -2.228 1.00 0.00 O ATOM 0 H GLU A 231 -5.991 4.644 -0.939 1.00 0.00 H new ATOM 0 HA GLU A 231 -5.463 6.750 -2.869 1.00 0.00 H new ATOM 0 HB2 GLU A 231 -6.623 6.232 -0.191 1.00 0.00 H new ATOM 0 HB3 GLU A 231 -5.740 7.746 -0.211 1.00 0.00 H new ATOM 0 HG2 GLU A 231 -7.749 7.026 -2.396 1.00 0.00 H new ATOM 0 HG3 GLU A 231 -8.238 7.841 -0.924 1.00 0.00 H new ATOM 988 N SER A 232 -3.012 5.991 -1.019 1.00 0.00 N ATOM 989 CA SER A 232 -1.610 6.374 -0.682 1.00 0.00 C ATOM 990 C SER A 232 -0.616 5.386 -1.302 1.00 0.00 C ATOM 991 O SER A 232 0.571 5.640 -1.354 1.00 0.00 O ATOM 992 CB SER A 232 -1.542 6.315 0.845 1.00 0.00 C ATOM 993 OG SER A 232 -0.531 7.202 1.303 1.00 0.00 O ATOM 0 H SER A 232 -3.257 5.020 -0.824 1.00 0.00 H new ATOM 0 HA SER A 232 -1.351 7.360 -1.068 1.00 0.00 H new ATOM 0 HB2 SER A 232 -2.505 6.590 1.275 1.00 0.00 H new ATOM 0 HB3 SER A 232 -1.326 5.298 1.172 1.00 0.00 H new ATOM 0 HG SER A 232 -0.485 7.168 2.281 1.00 0.00 H new ATOM 999 N ILE A 233 -1.087 4.262 -1.769 1.00 0.00 N ATOM 1000 CA ILE A 233 -0.161 3.261 -2.380 1.00 0.00 C ATOM 1001 C ILE A 233 -0.611 2.945 -3.813 1.00 0.00 C ATOM 1002 O ILE A 233 -0.103 2.044 -4.450 1.00 0.00 O ATOM 1003 CB ILE A 233 -0.206 2.004 -1.462 1.00 0.00 C ATOM 1004 CG1 ILE A 233 -0.435 0.727 -2.283 1.00 0.00 C ATOM 1005 CG2 ILE A 233 -1.321 2.117 -0.414 1.00 0.00 C ATOM 1006 CD1 ILE A 233 -0.668 -0.449 -1.335 1.00 0.00 C ATOM 0 H ILE A 233 -2.071 3.992 -1.755 1.00 0.00 H new ATOM 0 HA ILE A 233 0.861 3.633 -2.450 1.00 0.00 H new ATOM 0 HB ILE A 233 0.759 1.948 -0.959 1.00 0.00 H new ATOM 0 HG12 ILE A 233 -1.294 0.854 -2.942 1.00 0.00 H new ATOM 0 HG13 ILE A 233 0.428 0.530 -2.919 1.00 0.00 H new ATOM 0 HG21 ILE A 233 -1.325 1.224 0.210 1.00 0.00 H new ATOM 0 HG22 ILE A 233 -1.147 2.994 0.209 1.00 0.00 H new ATOM 0 HG23 ILE A 233 -2.284 2.213 -0.916 1.00 0.00 H new ATOM 0 HD11 ILE A 233 -0.831 -1.357 -1.915 1.00 0.00 H new ATOM 0 HD12 ILE A 233 0.205 -0.579 -0.695 1.00 0.00 H new ATOM 0 HD13 ILE A 233 -1.544 -0.251 -0.718 1.00 0.00 H new ATOM 1018 N GLY A 234 -1.558 3.681 -4.324 1.00 0.00 N ATOM 1019 CA GLY A 234 -2.033 3.418 -5.708 1.00 0.00 C ATOM 1020 C GLY A 234 -1.221 4.254 -6.701 1.00 0.00 C ATOM 1021 O GLY A 234 -1.769 4.958 -7.525 1.00 0.00 O ATOM 0 H GLY A 234 -2.022 4.452 -3.843 1.00 0.00 H new ATOM 0 HA2 GLY A 234 -1.932 2.358 -5.942 1.00 0.00 H new ATOM 0 HA3 GLY A 234 -3.092 3.663 -5.792 1.00 0.00 H new ATOM 1025 N GLN A 235 0.083 4.186 -6.634 1.00 0.00 N ATOM 1026 CA GLN A 235 0.912 4.984 -7.584 1.00 0.00 C ATOM 1027 C GLN A 235 2.397 4.618 -7.460 1.00 0.00 C ATOM 1028 O GLN A 235 3.266 5.405 -7.776 1.00 0.00 O ATOM 1029 CB GLN A 235 0.684 6.439 -7.176 1.00 0.00 C ATOM 1030 CG GLN A 235 1.026 6.613 -5.695 1.00 0.00 C ATOM 1031 CD GLN A 235 1.691 7.973 -5.480 1.00 0.00 C ATOM 1032 OE1 GLN A 235 1.534 8.873 -6.281 1.00 0.00 O ATOM 1033 NE2 GLN A 235 2.434 8.162 -4.424 1.00 0.00 N ATOM 0 H GLN A 235 0.606 3.617 -5.968 1.00 0.00 H new ATOM 0 HA GLN A 235 0.635 4.796 -8.621 1.00 0.00 H new ATOM 0 HB2 GLN A 235 1.303 7.099 -7.783 1.00 0.00 H new ATOM 0 HB3 GLN A 235 -0.354 6.720 -7.356 1.00 0.00 H new ATOM 0 HG2 GLN A 235 0.122 6.539 -5.091 1.00 0.00 H new ATOM 0 HG3 GLN A 235 1.693 5.815 -5.369 1.00 0.00 H new ATOM 0 HE21 GLN A 235 2.566 7.407 -3.751 1.00 0.00 H new ATOM 0 HE22 GLN A 235 2.883 9.065 -4.271 1.00 0.00 H new ATOM 1042 N VAL A 236 2.694 3.428 -7.013 1.00 0.00 N ATOM 1043 CA VAL A 236 4.123 3.011 -6.880 1.00 0.00 C ATOM 1044 C VAL A 236 4.234 1.501 -7.092 1.00 0.00 C ATOM 1045 O VAL A 236 4.842 0.799 -6.308 1.00 0.00 O ATOM 1046 CB VAL A 236 4.521 3.367 -5.446 1.00 0.00 C ATOM 1047 CG1 VAL A 236 4.704 4.880 -5.318 1.00 0.00 C ATOM 1048 CG2 VAL A 236 3.425 2.903 -4.482 1.00 0.00 C ATOM 0 H VAL A 236 2.010 2.725 -6.734 1.00 0.00 H new ATOM 0 HA VAL A 236 4.766 3.502 -7.611 1.00 0.00 H new ATOM 0 HB VAL A 236 5.459 2.870 -5.200 1.00 0.00 H new ATOM 0 HG11 VAL A 236 4.987 5.127 -4.295 1.00 0.00 H new ATOM 0 HG12 VAL A 236 5.486 5.211 -6.001 1.00 0.00 H new ATOM 0 HG13 VAL A 236 3.769 5.382 -5.567 1.00 0.00 H new ATOM 0 HG21 VAL A 236 3.708 3.156 -3.460 1.00 0.00 H new ATOM 0 HG22 VAL A 236 2.487 3.398 -4.732 1.00 0.00 H new ATOM 0 HG23 VAL A 236 3.299 1.824 -4.567 1.00 0.00 H new ATOM 1058 N ARG A 237 3.627 0.990 -8.132 1.00 0.00 N ATOM 1059 CA ARG A 237 3.674 -0.483 -8.374 1.00 0.00 C ATOM 1060 C ARG A 237 2.819 -1.195 -7.320 1.00 0.00 C ATOM 1061 O ARG A 237 2.730 -2.410 -7.286 1.00 0.00 O ATOM 1062 CB ARG A 237 5.147 -0.874 -8.232 1.00 0.00 C ATOM 1063 CG ARG A 237 5.429 -2.132 -9.054 1.00 0.00 C ATOM 1064 CD ARG A 237 6.693 -1.921 -9.892 1.00 0.00 C ATOM 1065 NE ARG A 237 6.272 -2.174 -11.297 1.00 0.00 N ATOM 1066 CZ ARG A 237 6.651 -3.264 -11.904 1.00 0.00 C ATOM 1067 NH1 ARG A 237 7.919 -3.561 -11.980 1.00 0.00 N ATOM 1068 NH2 ARG A 237 5.762 -4.058 -12.436 1.00 0.00 N ATOM 0 H ARG A 237 3.102 1.527 -8.822 1.00 0.00 H new ATOM 0 HA ARG A 237 3.286 -0.760 -9.354 1.00 0.00 H new ATOM 0 HB2 ARG A 237 5.784 -0.057 -8.570 1.00 0.00 H new ATOM 0 HB3 ARG A 237 5.386 -1.052 -7.184 1.00 0.00 H new ATOM 0 HG2 ARG A 237 5.556 -2.990 -8.394 1.00 0.00 H new ATOM 0 HG3 ARG A 237 4.582 -2.353 -9.703 1.00 0.00 H new ATOM 0 HD2 ARG A 237 7.081 -0.909 -9.773 1.00 0.00 H new ATOM 0 HD3 ARG A 237 7.486 -2.605 -9.589 1.00 0.00 H new ATOM 0 HE ARG A 237 5.687 -1.495 -11.785 1.00 0.00 H new ATOM 0 HH11 ARG A 237 8.614 -2.941 -11.565 1.00 0.00 H new ATOM 0 HH12 ARG A 237 8.216 -4.414 -12.455 1.00 0.00 H new ATOM 0 HH21 ARG A 237 4.771 -3.826 -12.377 1.00 0.00 H new ATOM 0 HH22 ARG A 237 6.059 -4.911 -12.911 1.00 0.00 H new ATOM 1082 N GLY A 238 2.181 -0.441 -6.461 1.00 0.00 N ATOM 1083 CA GLY A 238 1.332 -1.056 -5.414 1.00 0.00 C ATOM 1084 C GLY A 238 0.118 -1.694 -6.073 1.00 0.00 C ATOM 1085 O GLY A 238 -0.078 -2.886 -6.005 1.00 0.00 O ATOM 0 H GLY A 238 2.216 0.578 -6.445 1.00 0.00 H new ATOM 0 HA2 GLY A 238 1.899 -1.806 -4.862 1.00 0.00 H new ATOM 0 HA3 GLY A 238 1.016 -0.301 -4.694 1.00 0.00 H new ATOM 1089 N LEU A 239 -0.695 -0.906 -6.717 1.00 0.00 N ATOM 1090 CA LEU A 239 -1.897 -1.470 -7.385 1.00 0.00 C ATOM 1091 C LEU A 239 -1.540 -2.772 -8.096 1.00 0.00 C ATOM 1092 O LEU A 239 -2.350 -3.661 -8.210 1.00 0.00 O ATOM 1093 CB LEU A 239 -2.331 -0.407 -8.397 1.00 0.00 C ATOM 1094 CG LEU A 239 -2.811 0.844 -7.664 1.00 0.00 C ATOM 1095 CD1 LEU A 239 -2.097 2.070 -8.235 1.00 0.00 C ATOM 1096 CD2 LEU A 239 -4.321 0.998 -7.860 1.00 0.00 C ATOM 0 H LEU A 239 -0.579 0.103 -6.809 1.00 0.00 H new ATOM 0 HA LEU A 239 -2.692 -1.701 -6.676 1.00 0.00 H new ATOM 0 HB2 LEU A 239 -1.498 -0.157 -9.054 1.00 0.00 H new ATOM 0 HB3 LEU A 239 -3.129 -0.798 -9.028 1.00 0.00 H new ATOM 0 HG LEU A 239 -2.588 0.754 -6.601 1.00 0.00 H new ATOM 0 HD11 LEU A 239 -2.437 2.965 -7.714 1.00 0.00 H new ATOM 0 HD12 LEU A 239 -1.021 1.959 -8.101 1.00 0.00 H new ATOM 0 HD13 LEU A 239 -2.323 2.161 -9.297 1.00 0.00 H new ATOM 0 HD21 LEU A 239 -4.667 1.890 -7.338 1.00 0.00 H new ATOM 0 HD22 LEU A 239 -4.542 1.091 -8.923 1.00 0.00 H new ATOM 0 HD23 LEU A 239 -4.831 0.122 -7.459 1.00 0.00 H new ATOM 1108 N LYS A 240 -0.333 -2.898 -8.572 1.00 0.00 N ATOM 1109 CA LYS A 240 0.055 -4.159 -9.267 1.00 0.00 C ATOM 1110 C LYS A 240 0.100 -5.310 -8.266 1.00 0.00 C ATOM 1111 O LYS A 240 -0.632 -6.273 -8.382 1.00 0.00 O ATOM 1112 CB LYS A 240 1.444 -3.891 -9.840 1.00 0.00 C ATOM 1113 CG LYS A 240 1.937 -5.132 -10.586 1.00 0.00 C ATOM 1114 CD LYS A 240 1.053 -5.374 -11.810 1.00 0.00 C ATOM 1115 CE LYS A 240 1.852 -5.095 -13.085 1.00 0.00 C ATOM 1116 NZ LYS A 240 1.838 -3.613 -13.235 1.00 0.00 N ATOM 0 H LYS A 240 0.398 -2.189 -8.511 1.00 0.00 H new ATOM 0 HA LYS A 240 -0.654 -4.438 -10.046 1.00 0.00 H new ATOM 0 HB2 LYS A 240 1.411 -3.037 -10.516 1.00 0.00 H new ATOM 0 HB3 LYS A 240 2.137 -3.637 -9.038 1.00 0.00 H new ATOM 0 HG2 LYS A 240 2.974 -4.997 -10.894 1.00 0.00 H new ATOM 0 HG3 LYS A 240 1.911 -6.000 -9.927 1.00 0.00 H new ATOM 0 HD2 LYS A 240 0.692 -6.403 -11.813 1.00 0.00 H new ATOM 0 HD3 LYS A 240 0.175 -4.729 -11.770 1.00 0.00 H new ATOM 0 HE2 LYS A 240 2.871 -5.473 -13.002 1.00 0.00 H new ATOM 0 HE3 LYS A 240 1.400 -5.583 -13.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 240 2.278 -3.352 -14.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 240 0.856 -3.271 -13.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 240 2.370 -3.180 -12.453 1.00 0.00 H new ATOM 1130 N ARG A 241 0.939 -5.217 -7.272 1.00 0.00 N ATOM 1131 CA ARG A 241 0.996 -6.312 -6.264 1.00 0.00 C ATOM 1132 C ARG A 241 -0.266 -6.246 -5.408 1.00 0.00 C ATOM 1133 O ARG A 241 -0.702 -7.227 -4.837 1.00 0.00 O ATOM 1134 CB ARG A 241 2.246 -6.037 -5.431 1.00 0.00 C ATOM 1135 CG ARG A 241 3.407 -5.684 -6.361 1.00 0.00 C ATOM 1136 CD ARG A 241 4.720 -6.179 -5.748 1.00 0.00 C ATOM 1137 NE ARG A 241 5.116 -7.349 -6.580 1.00 0.00 N ATOM 1138 CZ ARG A 241 4.265 -8.317 -6.792 1.00 0.00 C ATOM 1139 NH1 ARG A 241 3.626 -8.858 -5.790 1.00 0.00 N ATOM 1140 NH2 ARG A 241 4.051 -8.743 -8.008 1.00 0.00 N ATOM 0 H ARG A 241 1.581 -4.440 -7.115 1.00 0.00 H new ATOM 0 HA ARG A 241 1.044 -7.306 -6.709 1.00 0.00 H new ATOM 0 HB2 ARG A 241 2.060 -5.218 -4.736 1.00 0.00 H new ATOM 0 HB3 ARG A 241 2.498 -6.913 -4.833 1.00 0.00 H new ATOM 0 HG2 ARG A 241 3.255 -6.140 -7.339 1.00 0.00 H new ATOM 0 HG3 ARG A 241 3.449 -4.606 -6.515 1.00 0.00 H new ATOM 0 HD2 ARG A 241 5.484 -5.402 -5.771 1.00 0.00 H new ATOM 0 HD3 ARG A 241 4.586 -6.464 -4.704 1.00 0.00 H new ATOM 0 HE ARG A 241 6.051 -7.394 -6.984 1.00 0.00 H new ATOM 0 HH11 ARG A 241 3.791 -8.525 -4.840 1.00 0.00 H new ATOM 0 HH12 ARG A 241 2.962 -9.614 -5.957 1.00 0.00 H new ATOM 0 HH21 ARG A 241 4.548 -8.320 -8.792 1.00 0.00 H new ATOM 0 HH22 ARG A 241 3.387 -9.499 -8.174 1.00 0.00 H new ATOM 1154 N LEU A 242 -0.868 -5.090 -5.343 1.00 0.00 N ATOM 1155 CA LEU A 242 -2.120 -4.934 -4.560 1.00 0.00 C ATOM 1156 C LEU A 242 -3.272 -5.529 -5.365 1.00 0.00 C ATOM 1157 O LEU A 242 -4.164 -6.156 -4.828 1.00 0.00 O ATOM 1158 CB LEU A 242 -2.293 -3.420 -4.396 1.00 0.00 C ATOM 1159 CG LEU A 242 -3.094 -3.111 -3.129 1.00 0.00 C ATOM 1160 CD1 LEU A 242 -4.296 -4.049 -3.043 1.00 0.00 C ATOM 1161 CD2 LEU A 242 -2.203 -3.304 -1.900 1.00 0.00 C ATOM 0 H LEU A 242 -0.541 -4.241 -5.804 1.00 0.00 H new ATOM 0 HA LEU A 242 -2.095 -5.437 -3.593 1.00 0.00 H new ATOM 0 HB2 LEU A 242 -1.316 -2.939 -4.343 1.00 0.00 H new ATOM 0 HB3 LEU A 242 -2.804 -3.009 -5.267 1.00 0.00 H new ATOM 0 HG LEU A 242 -3.443 -2.079 -3.164 1.00 0.00 H new ATOM 0 HD11 LEU A 242 -4.866 -3.828 -2.140 1.00 0.00 H new ATOM 0 HD12 LEU A 242 -4.931 -3.907 -3.917 1.00 0.00 H new ATOM 0 HD13 LEU A 242 -3.950 -5.082 -3.010 1.00 0.00 H new ATOM 0 HD21 LEU A 242 -2.774 -3.084 -0.998 1.00 0.00 H new ATOM 0 HD22 LEU A 242 -1.851 -4.335 -1.864 1.00 0.00 H new ATOM 0 HD23 LEU A 242 -1.348 -2.631 -1.961 1.00 0.00 H new ATOM 1173 N ASP A 243 -3.243 -5.357 -6.660 1.00 0.00 N ATOM 1174 CA ASP A 243 -4.325 -5.939 -7.505 1.00 0.00 C ATOM 1175 C ASP A 243 -4.228 -7.459 -7.436 1.00 0.00 C ATOM 1176 O ASP A 243 -5.210 -8.152 -7.260 1.00 0.00 O ATOM 1177 CB ASP A 243 -4.057 -5.453 -8.931 1.00 0.00 C ATOM 1178 CG ASP A 243 -4.692 -4.075 -9.131 1.00 0.00 C ATOM 1179 OD1 ASP A 243 -4.868 -3.376 -8.147 1.00 0.00 O ATOM 1180 OD2 ASP A 243 -4.989 -3.741 -10.267 1.00 0.00 O ATOM 0 H ASP A 243 -2.522 -4.842 -7.166 1.00 0.00 H new ATOM 0 HA ASP A 243 -5.320 -5.641 -7.175 1.00 0.00 H new ATOM 0 HB2 ASP A 243 -2.983 -5.400 -9.112 1.00 0.00 H new ATOM 0 HB3 ASP A 243 -4.467 -6.162 -9.651 1.00 0.00 H new ATOM 1185 N ASN A 244 -3.037 -7.979 -7.557 1.00 0.00 N ATOM 1186 CA ASN A 244 -2.862 -9.453 -7.479 1.00 0.00 C ATOM 1187 C ASN A 244 -3.137 -9.917 -6.049 1.00 0.00 C ATOM 1188 O ASN A 244 -3.464 -11.062 -5.807 1.00 0.00 O ATOM 1189 CB ASN A 244 -1.402 -9.704 -7.864 1.00 0.00 C ATOM 1190 CG ASN A 244 -1.224 -11.167 -8.274 1.00 0.00 C ATOM 1191 OD1 ASN A 244 -1.568 -12.065 -7.532 1.00 0.00 O ATOM 1192 ND2 ASN A 244 -0.695 -11.446 -9.434 1.00 0.00 N ATOM 0 H ASN A 244 -2.180 -7.446 -7.706 1.00 0.00 H new ATOM 0 HA ASN A 244 -3.543 -9.997 -8.134 1.00 0.00 H new ATOM 0 HB2 ASN A 244 -1.114 -9.048 -8.685 1.00 0.00 H new ATOM 0 HB3 ASN A 244 -0.748 -9.469 -7.024 1.00 0.00 H new ATOM 0 HD21 ASN A 244 -0.571 -12.418 -9.717 1.00 0.00 H new ATOM 0 HD22 ASN A 244 -0.406 -10.692 -10.057 1.00 0.00 H new ATOM 1199 N TYR A 245 -3.034 -9.032 -5.095 1.00 0.00 N ATOM 1200 CA TYR A 245 -3.322 -9.430 -3.697 1.00 0.00 C ATOM 1201 C TYR A 245 -4.830 -9.385 -3.484 1.00 0.00 C ATOM 1202 O TYR A 245 -5.418 -10.273 -2.901 1.00 0.00 O ATOM 1203 CB TYR A 245 -2.627 -8.395 -2.815 1.00 0.00 C ATOM 1204 CG TYR A 245 -3.146 -8.538 -1.408 1.00 0.00 C ATOM 1205 CD1 TYR A 245 -4.269 -7.809 -0.998 1.00 0.00 C ATOM 1206 CD2 TYR A 245 -2.514 -9.410 -0.515 1.00 0.00 C ATOM 1207 CE1 TYR A 245 -4.758 -7.952 0.304 1.00 0.00 C ATOM 1208 CE2 TYR A 245 -3.001 -9.551 0.788 1.00 0.00 C ATOM 1209 CZ TYR A 245 -4.123 -8.823 1.198 1.00 0.00 C ATOM 1210 OH TYR A 245 -4.605 -8.964 2.483 1.00 0.00 O ATOM 0 H TYR A 245 -2.764 -8.057 -5.226 1.00 0.00 H new ATOM 0 HA TYR A 245 -2.971 -10.435 -3.464 1.00 0.00 H new ATOM 0 HB2 TYR A 245 -1.547 -8.543 -2.837 1.00 0.00 H new ATOM 0 HB3 TYR A 245 -2.819 -7.389 -3.189 1.00 0.00 H new ATOM 0 HD1 TYR A 245 -4.757 -7.136 -1.687 1.00 0.00 H new ATOM 0 HD2 TYR A 245 -1.650 -9.974 -0.832 1.00 0.00 H new ATOM 0 HE1 TYR A 245 -5.625 -7.391 0.620 1.00 0.00 H new ATOM 0 HE2 TYR A 245 -2.511 -10.222 1.478 1.00 0.00 H new ATOM 0 HH TYR A 245 -5.571 -8.798 2.490 1.00 0.00 H new ATOM 1220 N CYS A 246 -5.463 -8.358 -3.976 1.00 0.00 N ATOM 1221 CA CYS A 246 -6.934 -8.253 -3.828 1.00 0.00 C ATOM 1222 C CYS A 246 -7.592 -9.405 -4.584 1.00 0.00 C ATOM 1223 O CYS A 246 -8.622 -9.915 -4.191 1.00 0.00 O ATOM 1224 CB CYS A 246 -7.307 -6.910 -4.456 1.00 0.00 C ATOM 1225 SG CYS A 246 -7.070 -5.588 -3.242 1.00 0.00 S ATOM 0 H CYS A 246 -5.021 -7.586 -4.475 1.00 0.00 H new ATOM 0 HA CYS A 246 -7.262 -8.308 -2.790 1.00 0.00 H new ATOM 0 HB2 CYS A 246 -6.691 -6.725 -5.336 1.00 0.00 H new ATOM 0 HB3 CYS A 246 -8.344 -6.929 -4.791 1.00 0.00 H new ATOM 0 HG CYS A 246 -6.392 -6.044 -2.231 1.00 0.00 H new ATOM 1231 N LYS A 247 -6.995 -9.825 -5.665 1.00 0.00 N ATOM 1232 CA LYS A 247 -7.577 -10.950 -6.444 1.00 0.00 C ATOM 1233 C LYS A 247 -7.199 -12.279 -5.785 1.00 0.00 C ATOM 1234 O LYS A 247 -7.885 -13.270 -5.924 1.00 0.00 O ATOM 1235 CB LYS A 247 -6.971 -10.826 -7.850 1.00 0.00 C ATOM 1236 CG LYS A 247 -5.564 -11.425 -7.871 1.00 0.00 C ATOM 1237 CD LYS A 247 -5.045 -11.458 -9.310 1.00 0.00 C ATOM 1238 CE LYS A 247 -5.800 -12.530 -10.099 1.00 0.00 C ATOM 1239 NZ LYS A 247 -6.143 -11.880 -11.395 1.00 0.00 N ATOM 0 H LYS A 247 -6.130 -9.437 -6.041 1.00 0.00 H new ATOM 0 HA LYS A 247 -8.666 -10.917 -6.485 1.00 0.00 H new ATOM 0 HB2 LYS A 247 -7.604 -11.339 -8.574 1.00 0.00 H new ATOM 0 HB3 LYS A 247 -6.933 -9.778 -8.147 1.00 0.00 H new ATOM 0 HG2 LYS A 247 -4.896 -10.833 -7.246 1.00 0.00 H new ATOM 0 HG3 LYS A 247 -5.580 -12.433 -7.456 1.00 0.00 H new ATOM 0 HD2 LYS A 247 -5.180 -10.483 -9.779 1.00 0.00 H new ATOM 0 HD3 LYS A 247 -3.976 -11.671 -9.318 1.00 0.00 H new ATOM 0 HE2 LYS A 247 -5.184 -13.416 -10.252 1.00 0.00 H new ATOM 0 HE3 LYS A 247 -6.696 -12.853 -9.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 247 -6.663 -12.553 -11.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 247 -6.735 -11.044 -11.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 247 -5.270 -11.589 -11.879 1.00 0.00 H new ATOM 1253 N GLN A 248 -6.118 -12.300 -5.055 1.00 0.00 N ATOM 1254 CA GLN A 248 -5.713 -13.558 -4.371 1.00 0.00 C ATOM 1255 C GLN A 248 -6.209 -13.534 -2.923 1.00 0.00 C ATOM 1256 O GLN A 248 -6.033 -14.478 -2.179 1.00 0.00 O ATOM 1257 CB GLN A 248 -4.184 -13.569 -4.419 1.00 0.00 C ATOM 1258 CG GLN A 248 -3.687 -15.016 -4.459 1.00 0.00 C ATOM 1259 CD GLN A 248 -3.120 -15.323 -5.846 1.00 0.00 C ATOM 1260 OE1 GLN A 248 -1.922 -15.428 -6.015 1.00 0.00 O ATOM 1261 NE2 GLN A 248 -3.936 -15.471 -6.853 1.00 0.00 N ATOM 0 H GLN A 248 -5.500 -11.503 -4.903 1.00 0.00 H new ATOM 0 HA GLN A 248 -6.132 -14.446 -4.844 1.00 0.00 H new ATOM 0 HB2 GLN A 248 -3.833 -13.028 -5.298 1.00 0.00 H new ATOM 0 HB3 GLN A 248 -3.778 -13.057 -3.546 1.00 0.00 H new ATOM 0 HG2 GLN A 248 -2.921 -15.170 -3.699 1.00 0.00 H new ATOM 0 HG3 GLN A 248 -4.505 -15.699 -4.230 1.00 0.00 H new ATOM 0 HE21 GLN A 248 -4.942 -15.383 -6.711 1.00 0.00 H new ATOM 0 HE22 GLN A 248 -3.568 -15.675 -7.782 1.00 0.00 H new ATOM 1270 N PHE A 249 -6.827 -12.454 -2.517 1.00 0.00 N ATOM 1271 CA PHE A 249 -7.333 -12.366 -1.115 1.00 0.00 C ATOM 1272 C PHE A 249 -8.723 -11.716 -1.062 1.00 0.00 C ATOM 1273 O PHE A 249 -9.431 -11.851 -0.084 1.00 0.00 O ATOM 1274 CB PHE A 249 -6.318 -11.491 -0.378 1.00 0.00 C ATOM 1275 CG PHE A 249 -5.032 -12.257 -0.187 1.00 0.00 C ATOM 1276 CD1 PHE A 249 -4.127 -12.380 -1.247 1.00 0.00 C ATOM 1277 CD2 PHE A 249 -4.744 -12.843 1.051 1.00 0.00 C ATOM 1278 CE1 PHE A 249 -2.933 -13.089 -1.069 1.00 0.00 C ATOM 1279 CE2 PHE A 249 -3.550 -13.553 1.229 1.00 0.00 C ATOM 1280 CZ PHE A 249 -2.644 -13.676 0.168 1.00 0.00 C ATOM 0 H PHE A 249 -7.002 -11.632 -3.094 1.00 0.00 H new ATOM 0 HA PHE A 249 -7.436 -13.355 -0.669 1.00 0.00 H new ATOM 0 HB2 PHE A 249 -6.129 -10.580 -0.945 1.00 0.00 H new ATOM 0 HB3 PHE A 249 -6.719 -11.187 0.589 1.00 0.00 H new ATOM 0 HD1 PHE A 249 -4.350 -11.928 -2.202 1.00 0.00 H new ATOM 0 HD2 PHE A 249 -5.443 -12.748 1.869 1.00 0.00 H new ATOM 0 HE1 PHE A 249 -2.234 -13.183 -1.887 1.00 0.00 H new ATOM 0 HE2 PHE A 249 -3.328 -14.006 2.184 1.00 0.00 H new ATOM 0 HZ PHE A 249 -1.723 -14.223 0.304 1.00 0.00 H new ATOM 1290 N ILE A 250 -9.127 -11.000 -2.083 1.00 0.00 N ATOM 1291 CA ILE A 250 -10.470 -10.351 -2.028 1.00 0.00 C ATOM 1292 C ILE A 250 -11.336 -10.782 -3.219 1.00 0.00 C ATOM 1293 O ILE A 250 -12.547 -10.826 -3.128 1.00 0.00 O ATOM 1294 CB ILE A 250 -10.176 -8.845 -2.055 1.00 0.00 C ATOM 1295 CG1 ILE A 250 -9.916 -8.365 -0.628 1.00 0.00 C ATOM 1296 CG2 ILE A 250 -11.368 -8.076 -2.625 1.00 0.00 C ATOM 1297 CD1 ILE A 250 -8.492 -7.813 -0.524 1.00 0.00 C ATOM 0 H ILE A 250 -8.594 -10.840 -2.938 1.00 0.00 H new ATOM 0 HA ILE A 250 -11.034 -10.635 -1.139 1.00 0.00 H new ATOM 0 HB ILE A 250 -9.304 -8.666 -2.685 1.00 0.00 H new ATOM 0 HG12 ILE A 250 -10.637 -7.594 -0.356 1.00 0.00 H new ATOM 0 HG13 ILE A 250 -10.050 -9.188 0.074 1.00 0.00 H new ATOM 0 HG21 ILE A 250 -11.141 -7.010 -2.636 1.00 0.00 H new ATOM 0 HG22 ILE A 250 -11.568 -8.415 -3.641 1.00 0.00 H new ATOM 0 HG23 ILE A 250 -12.246 -8.254 -2.004 1.00 0.00 H new ATOM 0 HD11 ILE A 250 -8.308 -7.471 0.494 1.00 0.00 H new ATOM 0 HD12 ILE A 250 -7.778 -8.597 -0.778 1.00 0.00 H new ATOM 0 HD13 ILE A 250 -8.374 -6.978 -1.214 1.00 0.00 H new ATOM 1309 N ILE A 251 -10.734 -11.099 -4.330 1.00 0.00 N ATOM 1310 CA ILE A 251 -11.541 -11.526 -5.513 1.00 0.00 C ATOM 1311 C ILE A 251 -10.996 -12.846 -6.068 1.00 0.00 C ATOM 1312 O ILE A 251 -10.147 -13.473 -5.471 1.00 0.00 O ATOM 1313 CB ILE A 251 -11.385 -10.399 -6.542 1.00 0.00 C ATOM 1314 CG1 ILE A 251 -11.431 -9.041 -5.838 1.00 0.00 C ATOM 1315 CG2 ILE A 251 -12.527 -10.475 -7.556 1.00 0.00 C ATOM 1316 CD1 ILE A 251 -10.027 -8.439 -5.797 1.00 0.00 C ATOM 0 H ILE A 251 -9.724 -11.082 -4.473 1.00 0.00 H new ATOM 0 HA ILE A 251 -12.588 -11.693 -5.260 1.00 0.00 H new ATOM 0 HB ILE A 251 -10.428 -10.511 -7.051 1.00 0.00 H new ATOM 0 HG12 ILE A 251 -12.110 -8.370 -6.364 1.00 0.00 H new ATOM 0 HG13 ILE A 251 -11.818 -9.157 -4.826 1.00 0.00 H new ATOM 0 HG21 ILE A 251 -12.418 -9.675 -8.288 1.00 0.00 H new ATOM 0 HG22 ILE A 251 -12.498 -11.439 -8.065 1.00 0.00 H new ATOM 0 HG23 ILE A 251 -13.480 -10.366 -7.039 1.00 0.00 H new ATOM 0 HD11 ILE A 251 -10.060 -7.472 -5.296 1.00 0.00 H new ATOM 0 HD12 ILE A 251 -9.360 -9.107 -5.252 1.00 0.00 H new ATOM 0 HD13 ILE A 251 -9.658 -8.308 -6.814 1.00 0.00 H new