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 -165:sc= -1.77! USER MOD Set 1.2: A 246 CYS SG : rot 180:sc= -0.434 USER MOD Set 2.1: A 185 HIS : no HD1:sc= -5.39! C(o=-9.2!,f=-25!) USER MOD Set 2.2: A 245 TYR OH : rot -146:sc= -3.8! USER MOD Single : A 184 ASN : amide:sc= 0.203 K(o=0.2,f=-0.61) USER MOD Single : A 210 ASN : amide:sc= 0 X(o=0,f=0) 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= -1.53 X(o=-1.5,f=-1.8!) USER MOD Single : A 226 THR OG1 : rot -84:sc= 1.89 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 K(o=0,f=-1.4) USER MOD Single : A 240 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 244 ASN : amide:sc= -0.377 K(o=-0.38,f=-1.8) USER MOD Single : A 247 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 248 GLN : amide:sc= -0.358 K(o=-0.36,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 105 N ILE A 179 5.888 -0.935 -3.829 1.00 0.00 N ATOM 106 CA ILE A 179 5.275 -2.013 -3.002 1.00 0.00 C ATOM 107 C ILE A 179 6.028 -3.330 -3.208 1.00 0.00 C ATOM 108 O ILE A 179 6.174 -3.804 -4.317 1.00 0.00 O ATOM 109 CB ILE A 179 3.813 -2.104 -3.487 1.00 0.00 C ATOM 110 CG1 ILE A 179 2.891 -2.108 -2.273 1.00 0.00 C ATOM 111 CG2 ILE A 179 3.564 -3.384 -4.299 1.00 0.00 C ATOM 112 CD1 ILE A 179 1.435 -2.199 -2.733 1.00 0.00 C ATOM 0 HA ILE A 179 5.322 -1.804 -1.933 1.00 0.00 H new ATOM 0 HB ILE A 179 3.614 -1.246 -4.130 1.00 0.00 H new ATOM 0 HG12 ILE A 179 3.131 -2.951 -1.624 1.00 0.00 H new ATOM 0 HG13 ILE A 179 3.041 -1.201 -1.687 1.00 0.00 H new ATOM 0 HG21 ILE A 179 2.524 -3.413 -4.623 1.00 0.00 H new ATOM 0 HG22 ILE A 179 4.217 -3.394 -5.172 1.00 0.00 H new ATOM 0 HG23 ILE A 179 3.775 -4.255 -3.679 1.00 0.00 H new ATOM 0 HD11 ILE A 179 0.778 -2.202 -1.863 1.00 0.00 H new ATOM 0 HD12 ILE A 179 1.198 -1.342 -3.364 1.00 0.00 H new ATOM 0 HD13 ILE A 179 1.289 -3.118 -3.300 1.00 0.00 H new ATOM 124 N ASP A 180 6.493 -3.935 -2.150 1.00 0.00 N ATOM 125 CA ASP A 180 7.212 -5.226 -2.306 1.00 0.00 C ATOM 126 C ASP A 180 6.222 -6.377 -2.155 1.00 0.00 C ATOM 127 O ASP A 180 6.234 -7.319 -2.922 1.00 0.00 O ATOM 128 CB ASP A 180 8.256 -5.253 -1.190 1.00 0.00 C ATOM 129 CG ASP A 180 9.475 -6.053 -1.654 1.00 0.00 C ATOM 130 OD1 ASP A 180 9.542 -6.361 -2.833 1.00 0.00 O ATOM 131 OD2 ASP A 180 10.321 -6.343 -0.824 1.00 0.00 O ATOM 0 H ASP A 180 6.406 -3.593 -1.193 1.00 0.00 H new ATOM 0 HA ASP A 180 7.683 -5.327 -3.284 1.00 0.00 H new ATOM 0 HB2 ASP A 180 8.552 -4.237 -0.929 1.00 0.00 H new ATOM 0 HB3 ASP A 180 7.833 -5.702 -0.292 1.00 0.00 H new ATOM 136 N ILE A 181 5.361 -6.309 -1.174 1.00 0.00 N ATOM 137 CA ILE A 181 4.379 -7.411 -0.983 1.00 0.00 C ATOM 138 C ILE A 181 3.193 -6.960 -0.120 1.00 0.00 C ATOM 139 O ILE A 181 3.346 -6.245 0.847 1.00 0.00 O ATOM 140 CB ILE A 181 5.164 -8.493 -0.241 1.00 0.00 C ATOM 141 CG1 ILE A 181 6.097 -9.226 -1.208 1.00 0.00 C ATOM 142 CG2 ILE A 181 4.194 -9.498 0.390 1.00 0.00 C ATOM 143 CD1 ILE A 181 6.626 -10.494 -0.535 1.00 0.00 C ATOM 0 H ILE A 181 5.297 -5.544 -0.503 1.00 0.00 H new ATOM 0 HA ILE A 181 3.965 -7.749 -1.933 1.00 0.00 H new ATOM 0 HB ILE A 181 5.759 -8.020 0.540 1.00 0.00 H new ATOM 0 HG12 ILE A 181 5.563 -9.482 -2.123 1.00 0.00 H new ATOM 0 HG13 ILE A 181 6.926 -8.578 -1.493 1.00 0.00 H new ATOM 0 HG21 ILE A 181 4.759 -10.267 0.917 1.00 0.00 H new ATOM 0 HG22 ILE A 181 3.541 -8.981 1.093 1.00 0.00 H new ATOM 0 HG23 ILE A 181 3.592 -9.962 -0.391 1.00 0.00 H new ATOM 0 HD11 ILE A 181 7.291 -11.019 -1.220 1.00 0.00 H new ATOM 0 HD12 ILE A 181 7.174 -10.225 0.368 1.00 0.00 H new ATOM 0 HD13 ILE A 181 5.790 -11.142 -0.272 1.00 0.00 H new ATOM 155 N VAL A 182 2.016 -7.412 -0.448 1.00 0.00 N ATOM 156 CA VAL A 182 0.817 -7.061 0.364 1.00 0.00 C ATOM 157 C VAL A 182 0.636 -8.130 1.454 1.00 0.00 C ATOM 158 O VAL A 182 0.058 -9.174 1.225 1.00 0.00 O ATOM 159 CB VAL A 182 -0.348 -7.077 -0.626 1.00 0.00 C ATOM 160 CG1 VAL A 182 -1.580 -6.445 0.023 1.00 0.00 C ATOM 161 CG2 VAL A 182 0.038 -6.278 -1.872 1.00 0.00 C ATOM 0 H VAL A 182 1.831 -8.014 -1.250 1.00 0.00 H new ATOM 0 HA VAL A 182 0.894 -6.094 0.861 1.00 0.00 H new ATOM 0 HB VAL A 182 -0.575 -8.106 -0.906 1.00 0.00 H new ATOM 0 HG11 VAL A 182 -2.410 -6.457 -0.684 1.00 0.00 H new ATOM 0 HG12 VAL A 182 -1.853 -7.011 0.913 1.00 0.00 H new ATOM 0 HG13 VAL A 182 -1.356 -5.415 0.303 1.00 0.00 H new ATOM 0 HG21 VAL A 182 -0.790 -6.287 -2.581 1.00 0.00 H new ATOM 0 HG22 VAL A 182 0.263 -5.250 -1.590 1.00 0.00 H new ATOM 0 HG23 VAL A 182 0.917 -6.728 -2.335 1.00 0.00 H new ATOM 171 N ILE A 183 1.159 -7.885 2.626 1.00 0.00 N ATOM 172 CA ILE A 183 1.059 -8.893 3.728 1.00 0.00 C ATOM 173 C ILE A 183 -0.396 -9.173 4.111 1.00 0.00 C ATOM 174 O ILE A 183 -0.741 -10.272 4.499 1.00 0.00 O ATOM 175 CB ILE A 183 1.802 -8.257 4.904 1.00 0.00 C ATOM 176 CG1 ILE A 183 3.240 -7.952 4.489 1.00 0.00 C ATOM 177 CG2 ILE A 183 1.816 -9.225 6.086 1.00 0.00 C ATOM 178 CD1 ILE A 183 3.890 -9.219 3.932 1.00 0.00 C ATOM 0 H ILE A 183 1.654 -7.027 2.871 1.00 0.00 H new ATOM 0 HA ILE A 183 1.481 -9.853 3.428 1.00 0.00 H new ATOM 0 HB ILE A 183 1.298 -7.335 5.194 1.00 0.00 H new ATOM 0 HG12 ILE A 183 3.253 -7.163 3.737 1.00 0.00 H new ATOM 0 HG13 ILE A 183 3.807 -7.586 5.345 1.00 0.00 H new ATOM 0 HG21 ILE A 183 2.346 -8.770 6.923 1.00 0.00 H new ATOM 0 HG22 ILE A 183 0.792 -9.450 6.384 1.00 0.00 H new ATOM 0 HG23 ILE A 183 2.320 -10.147 5.795 1.00 0.00 H new ATOM 0 HD11 ILE A 183 4.916 -9.001 3.636 1.00 0.00 H new ATOM 0 HD12 ILE A 183 3.890 -9.995 4.698 1.00 0.00 H new ATOM 0 HD13 ILE A 183 3.328 -9.565 3.065 1.00 0.00 H new ATOM 190 N ASN A 184 -1.250 -8.195 4.022 1.00 0.00 N ATOM 191 CA ASN A 184 -2.674 -8.423 4.401 1.00 0.00 C ATOM 192 C ASN A 184 -3.495 -7.156 4.157 1.00 0.00 C ATOM 193 O ASN A 184 -3.025 -6.207 3.559 1.00 0.00 O ATOM 194 CB ASN A 184 -2.633 -8.751 5.893 1.00 0.00 C ATOM 195 CG ASN A 184 -3.547 -9.944 6.182 1.00 0.00 C ATOM 196 OD1 ASN A 184 -4.709 -9.774 6.491 1.00 0.00 O ATOM 197 ND2 ASN A 184 -3.065 -11.154 6.093 1.00 0.00 N ATOM 0 H ASN A 184 -1.028 -7.251 3.705 1.00 0.00 H new ATOM 0 HA ASN A 184 -3.136 -9.219 3.817 1.00 0.00 H new ATOM 0 HB2 ASN A 184 -1.612 -8.980 6.197 1.00 0.00 H new ATOM 0 HB3 ASN A 184 -2.952 -7.886 6.475 1.00 0.00 H new ATOM 0 HD21 ASN A 184 -3.665 -11.957 6.283 1.00 0.00 H new ATOM 0 HD22 ASN A 184 -2.089 -11.296 5.833 1.00 0.00 H new ATOM 204 N HIS A 185 -4.714 -7.127 4.620 1.00 0.00 N ATOM 205 CA HIS A 185 -5.549 -5.912 4.414 1.00 0.00 C ATOM 206 C HIS A 185 -6.811 -5.972 5.281 1.00 0.00 C ATOM 207 O HIS A 185 -7.129 -6.987 5.867 1.00 0.00 O ATOM 208 CB HIS A 185 -5.912 -5.927 2.925 1.00 0.00 C ATOM 209 CG HIS A 185 -7.044 -6.891 2.679 1.00 0.00 C ATOM 210 ND1 HIS A 185 -6.836 -8.250 2.512 1.00 0.00 N ATOM 211 CD2 HIS A 185 -8.401 -6.706 2.574 1.00 0.00 C ATOM 212 CE1 HIS A 185 -8.037 -8.825 2.317 1.00 0.00 C ATOM 213 NE2 HIS A 185 -9.026 -7.929 2.346 1.00 0.00 N ATOM 0 H HIS A 185 -5.165 -7.887 5.129 1.00 0.00 H new ATOM 0 HA HIS A 185 -5.023 -5.000 4.696 1.00 0.00 H new ATOM 0 HB2 HIS A 185 -6.199 -4.926 2.602 1.00 0.00 H new ATOM 0 HB3 HIS A 185 -5.043 -6.215 2.333 1.00 0.00 H new ATOM 0 HD2 HIS A 185 -8.907 -5.755 2.656 1.00 0.00 H new ATOM 0 HE1 HIS A 185 -8.183 -9.883 2.157 1.00 0.00 H new ATOM 0 HE2 HIS A 185 -10.024 -8.103 2.227 1.00 0.00 H new ATOM 221 N ARG A 186 -7.534 -4.888 5.349 1.00 0.00 N ATOM 222 CA ARG A 186 -8.786 -4.862 6.160 1.00 0.00 C ATOM 223 C ARG A 186 -9.345 -3.437 6.200 1.00 0.00 C ATOM 224 O ARG A 186 -8.663 -2.487 5.869 1.00 0.00 O ATOM 225 CB ARG A 186 -8.377 -5.315 7.564 1.00 0.00 C ATOM 226 CG ARG A 186 -7.116 -4.569 8.000 1.00 0.00 C ATOM 227 CD ARG A 186 -7.339 -3.962 9.387 1.00 0.00 C ATOM 228 NE ARG A 186 -7.657 -5.121 10.265 1.00 0.00 N ATOM 229 CZ ARG A 186 -7.040 -5.264 11.406 1.00 0.00 C ATOM 230 NH1 ARG A 186 -6.669 -4.212 12.085 1.00 0.00 N ATOM 231 NH2 ARG A 186 -6.795 -6.460 11.868 1.00 0.00 N ATOM 0 H ARG A 186 -7.310 -4.013 4.875 1.00 0.00 H new ATOM 0 HA ARG A 186 -9.560 -5.506 5.743 1.00 0.00 H new ATOM 0 HB2 ARG A 186 -9.186 -5.123 8.268 1.00 0.00 H new ATOM 0 HB3 ARG A 186 -8.196 -6.390 7.571 1.00 0.00 H new ATOM 0 HG2 ARG A 186 -6.266 -5.251 8.022 1.00 0.00 H new ATOM 0 HG3 ARG A 186 -6.877 -3.785 7.282 1.00 0.00 H new ATOM 0 HD2 ARG A 186 -6.451 -3.435 9.735 1.00 0.00 H new ATOM 0 HD3 ARG A 186 -8.155 -3.239 9.376 1.00 0.00 H new ATOM 0 HE ARG A 186 -8.357 -5.804 9.975 1.00 0.00 H new ATOM 0 HH11 ARG A 186 -6.861 -3.278 11.724 1.00 0.00 H new ATOM 0 HH12 ARG A 186 -6.187 -4.325 12.977 1.00 0.00 H new ATOM 0 HH21 ARG A 186 -7.086 -7.281 11.337 1.00 0.00 H new ATOM 0 HH22 ARG A 186 -6.313 -6.573 12.760 1.00 0.00 H new ATOM 612 N ASN A 210 -13.127 1.410 0.359 1.00 0.00 N ATOM 613 CA ASN A 210 -13.099 1.406 1.850 1.00 0.00 C ATOM 614 C ASN A 210 -12.299 0.209 2.367 1.00 0.00 C ATOM 615 O ASN A 210 -12.843 -0.706 2.954 1.00 0.00 O ATOM 616 CB ASN A 210 -14.566 1.293 2.274 1.00 0.00 C ATOM 617 CG ASN A 210 -15.190 2.688 2.338 1.00 0.00 C ATOM 618 OD1 ASN A 210 -14.890 3.460 3.227 1.00 0.00 O ATOM 619 ND2 ASN A 210 -16.050 3.047 1.425 1.00 0.00 N ATOM 0 HA ASN A 210 -12.624 2.300 2.253 1.00 0.00 H new ATOM 0 HB2 ASN A 210 -15.113 0.671 1.566 1.00 0.00 H new ATOM 0 HB3 ASN A 210 -14.638 0.806 3.247 1.00 0.00 H new ATOM 0 HD21 ASN A 210 -16.470 3.976 1.458 1.00 0.00 H new ATOM 0 HD22 ASN A 210 -16.302 2.399 0.679 1.00 0.00 H new ATOM 626 N TYR A 211 -11.011 0.202 2.154 1.00 0.00 N ATOM 627 CA TYR A 211 -10.188 -0.947 2.635 1.00 0.00 C ATOM 628 C TYR A 211 -8.704 -0.579 2.694 1.00 0.00 C ATOM 629 O TYR A 211 -8.157 -0.006 1.772 1.00 0.00 O ATOM 630 CB TYR A 211 -10.405 -2.040 1.598 1.00 0.00 C ATOM 631 CG TYR A 211 -11.282 -3.126 2.170 1.00 0.00 C ATOM 632 CD1 TYR A 211 -10.718 -4.133 2.963 1.00 0.00 C ATOM 633 CD2 TYR A 211 -12.657 -3.133 1.905 1.00 0.00 C ATOM 634 CE1 TYR A 211 -11.527 -5.145 3.491 1.00 0.00 C ATOM 635 CE2 TYR A 211 -13.467 -4.145 2.432 1.00 0.00 C ATOM 636 CZ TYR A 211 -12.903 -5.152 3.225 1.00 0.00 C ATOM 637 OH TYR A 211 -13.700 -6.150 3.745 1.00 0.00 O ATOM 0 H TYR A 211 -10.495 0.937 1.671 1.00 0.00 H new ATOM 0 HA TYR A 211 -10.476 -1.252 3.641 1.00 0.00 H new ATOM 0 HB2 TYR A 211 -10.868 -1.619 0.705 1.00 0.00 H new ATOM 0 HB3 TYR A 211 -9.446 -2.459 1.292 1.00 0.00 H new ATOM 0 HD1 TYR A 211 -9.657 -4.128 3.167 1.00 0.00 H new ATOM 0 HD2 TYR A 211 -13.093 -2.357 1.293 1.00 0.00 H new ATOM 0 HE1 TYR A 211 -11.091 -5.921 4.103 1.00 0.00 H new ATOM 0 HE2 TYR A 211 -14.527 -4.149 2.227 1.00 0.00 H new ATOM 0 HH TYR A 211 -14.628 -6.006 3.466 1.00 0.00 H new ATOM 647 N GLU A 212 -8.044 -0.934 3.760 1.00 0.00 N ATOM 648 CA GLU A 212 -6.590 -0.641 3.873 1.00 0.00 C ATOM 649 C GLU A 212 -5.810 -1.903 3.506 1.00 0.00 C ATOM 650 O GLU A 212 -6.377 -2.969 3.369 1.00 0.00 O ATOM 651 CB GLU A 212 -6.369 -0.274 5.341 1.00 0.00 C ATOM 652 CG GLU A 212 -4.996 0.378 5.509 1.00 0.00 C ATOM 653 CD GLU A 212 -4.818 0.822 6.961 1.00 0.00 C ATOM 654 OE1 GLU A 212 -5.189 0.063 7.841 1.00 0.00 O ATOM 655 OE2 GLU A 212 -4.313 1.913 7.170 1.00 0.00 O ATOM 0 H GLU A 212 -8.451 -1.417 4.561 1.00 0.00 H new ATOM 0 HA GLU A 212 -6.259 0.161 3.213 1.00 0.00 H new ATOM 0 HB2 GLU A 212 -7.150 0.409 5.677 1.00 0.00 H new ATOM 0 HB3 GLU A 212 -6.437 -1.166 5.963 1.00 0.00 H new ATOM 0 HG2 GLU A 212 -4.211 -0.326 5.234 1.00 0.00 H new ATOM 0 HG3 GLU A 212 -4.904 1.235 4.841 1.00 0.00 H new ATOM 662 N PHE A 213 -4.524 -1.806 3.337 1.00 0.00 N ATOM 663 CA PHE A 213 -3.746 -3.022 2.971 1.00 0.00 C ATOM 664 C PHE A 213 -2.361 -2.994 3.615 1.00 0.00 C ATOM 665 O PHE A 213 -1.628 -2.036 3.478 1.00 0.00 O ATOM 666 CB PHE A 213 -3.594 -2.956 1.451 1.00 0.00 C ATOM 667 CG PHE A 213 -4.932 -3.138 0.779 1.00 0.00 C ATOM 668 CD1 PHE A 213 -5.831 -2.067 0.703 1.00 0.00 C ATOM 669 CD2 PHE A 213 -5.265 -4.375 0.217 1.00 0.00 C ATOM 670 CE1 PHE A 213 -7.065 -2.236 0.063 1.00 0.00 C ATOM 671 CE2 PHE A 213 -6.499 -4.543 -0.420 1.00 0.00 C ATOM 672 CZ PHE A 213 -7.397 -3.475 -0.498 1.00 0.00 C ATOM 0 H PHE A 213 -3.981 -0.948 3.435 1.00 0.00 H new ATOM 0 HA PHE A 213 -4.246 -3.930 3.309 1.00 0.00 H new ATOM 0 HB2 PHE A 213 -3.163 -1.997 1.164 1.00 0.00 H new ATOM 0 HB3 PHE A 213 -2.903 -3.729 1.115 1.00 0.00 H new ATOM 0 HD1 PHE A 213 -5.573 -1.112 1.137 1.00 0.00 H new ATOM 0 HD2 PHE A 213 -4.570 -5.200 0.275 1.00 0.00 H new ATOM 0 HE1 PHE A 213 -7.760 -1.411 0.002 1.00 0.00 H new ATOM 0 HE2 PHE A 213 -6.758 -5.498 -0.852 1.00 0.00 H new ATOM 0 HZ PHE A 213 -8.349 -3.606 -0.992 1.00 0.00 H new ATOM 682 N LEU A 214 -1.975 -4.045 4.285 1.00 0.00 N ATOM 683 CA LEU A 214 -0.614 -4.057 4.884 1.00 0.00 C ATOM 684 C LEU A 214 0.393 -4.128 3.750 1.00 0.00 C ATOM 685 O LEU A 214 0.460 -5.099 3.023 1.00 0.00 O ATOM 686 CB LEU A 214 -0.545 -5.315 5.749 1.00 0.00 C ATOM 687 CG LEU A 214 0.713 -5.304 6.633 1.00 0.00 C ATOM 688 CD1 LEU A 214 1.025 -3.893 7.138 1.00 0.00 C ATOM 689 CD2 LEU A 214 0.481 -6.230 7.826 1.00 0.00 C ATOM 0 H LEU A 214 -2.535 -4.883 4.441 1.00 0.00 H new ATOM 0 HA LEU A 214 -0.402 -3.172 5.484 1.00 0.00 H new ATOM 0 HB2 LEU A 214 -1.434 -5.380 6.376 1.00 0.00 H new ATOM 0 HB3 LEU A 214 -0.539 -6.199 5.112 1.00 0.00 H new ATOM 0 HG LEU A 214 1.561 -5.646 6.040 1.00 0.00 H new ATOM 0 HD11 LEU A 214 1.920 -3.919 7.760 1.00 0.00 H new ATOM 0 HD12 LEU A 214 1.193 -3.231 6.288 1.00 0.00 H new ATOM 0 HD13 LEU A 214 0.185 -3.523 7.726 1.00 0.00 H new ATOM 0 HD21 LEU A 214 1.366 -6.232 8.462 1.00 0.00 H new ATOM 0 HD22 LEU A 214 -0.377 -5.878 8.399 1.00 0.00 H new ATOM 0 HD23 LEU A 214 0.288 -7.242 7.469 1.00 0.00 H new ATOM 701 N ILE A 215 1.147 -3.093 3.559 1.00 0.00 N ATOM 702 CA ILE A 215 2.108 -3.094 2.433 1.00 0.00 C ATOM 703 C ILE A 215 3.532 -3.420 2.880 1.00 0.00 C ATOM 704 O ILE A 215 4.202 -2.606 3.482 1.00 0.00 O ATOM 705 CB ILE A 215 2.060 -1.672 1.900 1.00 0.00 C ATOM 706 CG1 ILE A 215 0.607 -1.216 1.739 1.00 0.00 C ATOM 707 CG2 ILE A 215 2.770 -1.631 0.556 1.00 0.00 C ATOM 708 CD1 ILE A 215 -0.173 -2.244 0.927 1.00 0.00 C ATOM 0 H ILE A 215 1.141 -2.248 4.131 1.00 0.00 H new ATOM 0 HA ILE A 215 1.844 -3.853 1.696 1.00 0.00 H new ATOM 0 HB ILE A 215 2.555 -1.000 2.601 1.00 0.00 H new ATOM 0 HG12 ILE A 215 0.146 -1.088 2.719 1.00 0.00 H new ATOM 0 HG13 ILE A 215 0.574 -0.246 1.242 1.00 0.00 H new ATOM 0 HG21 ILE A 215 2.743 -0.615 0.161 1.00 0.00 H new ATOM 0 HG22 ILE A 215 3.806 -1.944 0.682 1.00 0.00 H new ATOM 0 HG23 ILE A 215 2.270 -2.304 -0.140 1.00 0.00 H new ATOM 0 HD11 ILE A 215 -1.206 -1.913 0.817 1.00 0.00 H new ATOM 0 HD12 ILE A 215 0.281 -2.350 -0.058 1.00 0.00 H new ATOM 0 HD13 ILE A 215 -0.153 -3.205 1.441 1.00 0.00 H new ATOM 720 N LYS A 216 4.020 -4.584 2.554 1.00 0.00 N ATOM 721 CA LYS A 216 5.425 -4.915 2.921 1.00 0.00 C ATOM 722 C LYS A 216 6.362 -4.126 1.998 1.00 0.00 C ATOM 723 O LYS A 216 6.636 -4.532 0.886 1.00 0.00 O ATOM 724 CB LYS A 216 5.585 -6.420 2.683 1.00 0.00 C ATOM 725 CG LYS A 216 7.070 -6.787 2.729 1.00 0.00 C ATOM 726 CD LYS A 216 7.215 -8.309 2.750 1.00 0.00 C ATOM 727 CE LYS A 216 8.182 -8.716 3.865 1.00 0.00 C ATOM 728 NZ LYS A 216 9.451 -9.060 3.166 1.00 0.00 N ATOM 0 H LYS A 216 3.513 -5.314 2.054 1.00 0.00 H new ATOM 0 HA LYS A 216 5.660 -4.662 3.955 1.00 0.00 H new ATOM 0 HB2 LYS A 216 5.037 -6.979 3.441 1.00 0.00 H new ATOM 0 HB3 LYS A 216 5.161 -6.694 1.717 1.00 0.00 H new ATOM 0 HG2 LYS A 216 7.585 -6.373 1.862 1.00 0.00 H new ATOM 0 HG3 LYS A 216 7.536 -6.354 3.614 1.00 0.00 H new ATOM 0 HD2 LYS A 216 6.243 -8.775 2.910 1.00 0.00 H new ATOM 0 HD3 LYS A 216 7.584 -8.663 1.787 1.00 0.00 H new ATOM 0 HE2 LYS A 216 8.330 -7.903 4.575 1.00 0.00 H new ATOM 0 HE3 LYS A 216 7.799 -9.566 4.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 216 10.165 -9.350 3.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 216 9.280 -9.841 2.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 216 9.795 -8.230 2.643 1.00 0.00 H new ATOM 742 N TRP A 217 6.839 -2.992 2.433 1.00 0.00 N ATOM 743 CA TRP A 217 7.739 -2.187 1.557 1.00 0.00 C ATOM 744 C TRP A 217 9.157 -2.761 1.586 1.00 0.00 C ATOM 745 O TRP A 217 9.377 -3.875 2.016 1.00 0.00 O ATOM 746 CB TRP A 217 7.713 -0.777 2.147 1.00 0.00 C ATOM 747 CG TRP A 217 6.303 -0.281 2.199 1.00 0.00 C ATOM 748 CD1 TRP A 217 5.481 -0.404 3.265 1.00 0.00 C ATOM 749 CD2 TRP A 217 5.532 0.406 1.167 1.00 0.00 C ATOM 750 NE1 TRP A 217 4.264 0.176 2.963 1.00 0.00 N ATOM 751 CE2 TRP A 217 4.241 0.682 1.679 1.00 0.00 C ATOM 752 CE3 TRP A 217 5.825 0.813 -0.148 1.00 0.00 C ATOM 753 CZ2 TRP A 217 3.273 1.337 0.913 1.00 0.00 C ATOM 754 CZ3 TRP A 217 4.853 1.473 -0.921 1.00 0.00 C ATOM 755 CH2 TRP A 217 3.580 1.732 -0.391 1.00 0.00 C ATOM 0 H TRP A 217 6.647 -2.590 3.350 1.00 0.00 H new ATOM 0 HA TRP A 217 7.417 -2.195 0.516 1.00 0.00 H new ATOM 0 HB2 TRP A 217 8.144 -0.783 3.148 1.00 0.00 H new ATOM 0 HB3 TRP A 217 8.323 -0.107 1.541 1.00 0.00 H new ATOM 0 HD1 TRP A 217 5.735 -0.879 4.201 1.00 0.00 H new ATOM 0 HE1 TRP A 217 3.477 0.224 3.611 1.00 0.00 H new ATOM 0 HE3 TRP A 217 6.802 0.617 -0.566 1.00 0.00 H new ATOM 0 HZ2 TRP A 217 2.295 1.536 1.326 1.00 0.00 H new ATOM 0 HZ3 TRP A 217 5.088 1.782 -1.929 1.00 0.00 H new ATOM 0 HH2 TRP A 217 2.838 2.237 -0.991 1.00 0.00 H new ATOM 871 N ASN A 225 7.177 -3.113 6.908 1.00 0.00 N ATOM 872 CA ASN A 225 5.739 -3.344 6.579 1.00 0.00 C ATOM 873 C ASN A 225 4.867 -2.290 7.261 1.00 0.00 C ATOM 874 O ASN A 225 5.126 -1.878 8.374 1.00 0.00 O ATOM 875 CB ASN A 225 5.423 -4.738 7.123 1.00 0.00 C ATOM 876 CG ASN A 225 6.014 -4.887 8.526 1.00 0.00 C ATOM 877 OD1 ASN A 225 6.047 -3.940 9.286 1.00 0.00 O ATOM 878 ND2 ASN A 225 6.484 -6.043 8.904 1.00 0.00 N ATOM 0 HA ASN A 225 5.544 -3.274 5.509 1.00 0.00 H new ATOM 0 HB2 ASN A 225 4.344 -4.892 7.154 1.00 0.00 H new ATOM 0 HB3 ASN A 225 5.835 -5.500 6.461 1.00 0.00 H new ATOM 0 HD21 ASN A 225 6.879 -6.152 9.838 1.00 0.00 H new ATOM 0 HD22 ASN A 225 6.456 -6.838 8.266 1.00 0.00 H new ATOM 885 N THR A 226 3.836 -1.850 6.597 1.00 0.00 N ATOM 886 CA THR A 226 2.938 -0.823 7.189 1.00 0.00 C ATOM 887 C THR A 226 1.545 -0.953 6.578 1.00 0.00 C ATOM 888 O THR A 226 1.351 -1.649 5.601 1.00 0.00 O ATOM 889 CB THR A 226 3.567 0.521 6.814 1.00 0.00 C ATOM 890 OG1 THR A 226 3.561 0.666 5.400 1.00 0.00 O ATOM 891 CG2 THR A 226 5.006 0.581 7.328 1.00 0.00 C ATOM 0 H THR A 226 3.575 -2.161 5.661 1.00 0.00 H new ATOM 0 HA THR A 226 2.832 -0.929 8.269 1.00 0.00 H new ATOM 0 HB THR A 226 2.991 1.328 7.267 1.00 0.00 H new ATOM 0 HG1 THR A 226 4.347 0.219 5.022 1.00 0.00 H new ATOM 0 HG21 THR A 226 5.449 1.540 7.058 1.00 0.00 H new ATOM 0 HG22 THR A 226 5.010 0.472 8.412 1.00 0.00 H new ATOM 0 HG23 THR A 226 5.586 -0.226 6.880 1.00 0.00 H new ATOM 899 N TRP A 227 0.572 -0.294 7.137 1.00 0.00 N ATOM 900 CA TRP A 227 -0.801 -0.393 6.573 1.00 0.00 C ATOM 901 C TRP A 227 -1.146 0.885 5.807 1.00 0.00 C ATOM 902 O TRP A 227 -1.348 1.935 6.384 1.00 0.00 O ATOM 903 CB TRP A 227 -1.710 -0.586 7.785 1.00 0.00 C ATOM 904 CG TRP A 227 -1.643 -2.017 8.203 1.00 0.00 C ATOM 905 CD1 TRP A 227 -0.673 -2.561 8.976 1.00 0.00 C ATOM 906 CD2 TRP A 227 -2.554 -3.101 7.868 1.00 0.00 C ATOM 907 NE1 TRP A 227 -0.933 -3.909 9.135 1.00 0.00 N ATOM 908 CE2 TRP A 227 -2.083 -4.289 8.473 1.00 0.00 C ATOM 909 CE3 TRP A 227 -3.732 -3.168 7.103 1.00 0.00 C ATOM 910 CZ2 TRP A 227 -2.756 -5.500 8.325 1.00 0.00 C ATOM 911 CZ3 TRP A 227 -4.412 -4.386 6.954 1.00 0.00 C ATOM 912 CH2 TRP A 227 -3.921 -5.550 7.564 1.00 0.00 C ATOM 0 H TRP A 227 0.666 0.306 7.956 1.00 0.00 H new ATOM 0 HA TRP A 227 -0.909 -1.213 5.863 1.00 0.00 H new ATOM 0 HB2 TRP A 227 -1.395 0.063 8.602 1.00 0.00 H new ATOM 0 HB3 TRP A 227 -2.735 -0.311 7.537 1.00 0.00 H new ATOM 0 HD1 TRP A 227 0.166 -2.029 9.399 1.00 0.00 H new ATOM 0 HE1 TRP A 227 -0.347 -4.545 9.675 1.00 0.00 H new ATOM 0 HE3 TRP A 227 -4.115 -2.277 6.628 1.00 0.00 H new ATOM 0 HZ2 TRP A 227 -2.377 -6.394 8.797 1.00 0.00 H new ATOM 0 HZ3 TRP A 227 -5.318 -4.428 6.367 1.00 0.00 H new ATOM 0 HH2 TRP A 227 -4.447 -6.486 7.443 1.00 0.00 H new ATOM 923 N GLU A 228 -1.201 0.802 4.504 1.00 0.00 N ATOM 924 CA GLU A 228 -1.516 2.008 3.688 1.00 0.00 C ATOM 925 C GLU A 228 -2.871 1.853 2.995 1.00 0.00 C ATOM 926 O GLU A 228 -3.609 0.920 3.247 1.00 0.00 O ATOM 927 CB GLU A 228 -0.392 2.084 2.653 1.00 0.00 C ATOM 928 CG GLU A 228 0.962 2.032 3.366 1.00 0.00 C ATOM 929 CD GLU A 228 1.751 3.313 3.077 1.00 0.00 C ATOM 930 OE1 GLU A 228 1.272 4.122 2.300 1.00 0.00 O ATOM 931 OE2 GLU A 228 2.824 3.461 3.639 1.00 0.00 O ATOM 0 H GLU A 228 -1.041 -0.052 3.970 1.00 0.00 H new ATOM 0 HA GLU A 228 -1.579 2.910 4.297 1.00 0.00 H new ATOM 0 HB2 GLU A 228 -0.476 1.257 1.948 1.00 0.00 H new ATOM 0 HB3 GLU A 228 -0.476 3.005 2.076 1.00 0.00 H new ATOM 0 HG2 GLU A 228 0.814 1.920 4.440 1.00 0.00 H new ATOM 0 HG3 GLU A 228 1.527 1.163 3.030 1.00 0.00 H new ATOM 938 N THR A 229 -3.197 2.759 2.116 1.00 0.00 N ATOM 939 CA THR A 229 -4.495 2.672 1.395 1.00 0.00 C ATOM 940 C THR A 229 -4.286 3.074 -0.061 1.00 0.00 C ATOM 941 O THR A 229 -3.384 3.820 -0.382 1.00 0.00 O ATOM 942 CB THR A 229 -5.415 3.664 2.103 1.00 0.00 C ATOM 943 OG1 THR A 229 -4.705 4.868 2.363 1.00 0.00 O ATOM 944 CG2 THR A 229 -5.898 3.059 3.421 1.00 0.00 C ATOM 0 H THR A 229 -2.617 3.559 1.866 1.00 0.00 H new ATOM 0 HA THR A 229 -4.916 1.667 1.402 1.00 0.00 H new ATOM 0 HB THR A 229 -6.274 3.881 1.468 1.00 0.00 H new ATOM 0 HG1 THR A 229 -5.296 5.505 2.816 1.00 0.00 H new ATOM 0 HG21 THR A 229 -6.555 3.767 3.927 1.00 0.00 H new ATOM 0 HG22 THR A 229 -6.444 2.137 3.220 1.00 0.00 H new ATOM 0 HG23 THR A 229 -5.040 2.841 4.057 1.00 0.00 H new ATOM 952 N TYR A 230 -5.099 2.581 -0.944 1.00 0.00 N ATOM 953 CA TYR A 230 -4.924 2.933 -2.378 1.00 0.00 C ATOM 954 C TYR A 230 -4.672 4.433 -2.532 1.00 0.00 C ATOM 955 O TYR A 230 -3.881 4.859 -3.350 1.00 0.00 O ATOM 956 CB TYR A 230 -6.240 2.541 -3.051 1.00 0.00 C ATOM 957 CG TYR A 230 -6.112 1.177 -3.681 1.00 0.00 C ATOM 958 CD1 TYR A 230 -6.166 0.029 -2.882 1.00 0.00 C ATOM 959 CD2 TYR A 230 -5.947 1.059 -5.066 1.00 0.00 C ATOM 960 CE1 TYR A 230 -6.052 -1.237 -3.469 1.00 0.00 C ATOM 961 CE2 TYR A 230 -5.833 -0.206 -5.652 1.00 0.00 C ATOM 962 CZ TYR A 230 -5.887 -1.354 -4.854 1.00 0.00 C ATOM 963 OH TYR A 230 -5.777 -2.601 -5.434 1.00 0.00 O ATOM 0 H TYR A 230 -5.875 1.952 -0.739 1.00 0.00 H new ATOM 0 HA TYR A 230 -4.071 2.421 -2.822 1.00 0.00 H new ATOM 0 HB2 TYR A 230 -7.046 2.537 -2.317 1.00 0.00 H new ATOM 0 HB3 TYR A 230 -6.503 3.278 -3.810 1.00 0.00 H new ATOM 0 HD1 TYR A 230 -6.295 0.120 -1.814 1.00 0.00 H new ATOM 0 HD2 TYR A 230 -5.908 1.945 -5.682 1.00 0.00 H new ATOM 0 HE1 TYR A 230 -6.091 -2.123 -2.853 1.00 0.00 H new ATOM 0 HE2 TYR A 230 -5.703 -0.297 -6.720 1.00 0.00 H new ATOM 0 HH TYR A 230 -5.434 -2.508 -6.347 1.00 0.00 H new ATOM 973 N GLU A 231 -5.337 5.236 -1.752 1.00 0.00 N ATOM 974 CA GLU A 231 -5.135 6.710 -1.853 1.00 0.00 C ATOM 975 C GLU A 231 -3.693 7.074 -1.489 1.00 0.00 C ATOM 976 O GLU A 231 -3.263 8.196 -1.670 1.00 0.00 O ATOM 977 CB GLU A 231 -6.113 7.314 -0.845 1.00 0.00 C ATOM 978 CG GLU A 231 -6.087 8.840 -0.961 1.00 0.00 C ATOM 979 CD GLU A 231 -5.806 9.451 0.412 1.00 0.00 C ATOM 980 OE1 GLU A 231 -6.637 9.293 1.291 1.00 0.00 O ATOM 981 OE2 GLU A 231 -4.765 10.069 0.562 1.00 0.00 O ATOM 0 H GLU A 231 -6.012 4.937 -1.048 1.00 0.00 H new ATOM 0 HA GLU A 231 -5.309 7.082 -2.863 1.00 0.00 H new ATOM 0 HB2 GLU A 231 -7.120 6.941 -1.031 1.00 0.00 H new ATOM 0 HB3 GLU A 231 -5.843 7.011 0.167 1.00 0.00 H new ATOM 0 HG2 GLU A 231 -5.320 9.148 -1.672 1.00 0.00 H new ATOM 0 HG3 GLU A 231 -7.041 9.203 -1.344 1.00 0.00 H new ATOM 988 N SER A 232 -2.944 6.136 -0.976 1.00 0.00 N ATOM 989 CA SER A 232 -1.531 6.434 -0.601 1.00 0.00 C ATOM 990 C SER A 232 -0.578 5.453 -1.292 1.00 0.00 C ATOM 991 O SER A 232 0.596 5.724 -1.454 1.00 0.00 O ATOM 992 CB SER A 232 -1.482 6.251 0.915 1.00 0.00 C ATOM 993 OG SER A 232 -2.185 7.317 1.540 1.00 0.00 O ATOM 0 H SER A 232 -3.248 5.178 -0.800 1.00 0.00 H new ATOM 0 HA SER A 232 -1.225 7.435 -0.904 1.00 0.00 H new ATOM 0 HB2 SER A 232 -1.927 5.295 1.192 1.00 0.00 H new ATOM 0 HB3 SER A 232 -0.447 6.232 1.257 1.00 0.00 H new ATOM 0 HG SER A 232 -2.157 7.202 2.513 1.00 0.00 H new ATOM 999 N ILE A 233 -1.073 4.317 -1.695 1.00 0.00 N ATOM 1000 CA ILE A 233 -0.197 3.315 -2.373 1.00 0.00 C ATOM 1001 C ILE A 233 -0.684 3.096 -3.814 1.00 0.00 C ATOM 1002 O ILE A 233 -0.263 2.180 -4.494 1.00 0.00 O ATOM 1003 CB ILE A 233 -0.282 2.016 -1.516 1.00 0.00 C ATOM 1004 CG1 ILE A 233 -0.571 0.790 -2.391 1.00 0.00 C ATOM 1005 CG2 ILE A 233 -1.380 2.121 -0.450 1.00 0.00 C ATOM 1006 CD1 ILE A 233 -0.827 -0.424 -1.497 1.00 0.00 C ATOM 0 H ILE A 233 -2.047 4.036 -1.585 1.00 0.00 H new ATOM 0 HA ILE A 233 0.839 3.645 -2.445 1.00 0.00 H new ATOM 0 HB ILE A 233 0.687 1.899 -1.031 1.00 0.00 H new ATOM 0 HG12 ILE A 233 -1.438 0.978 -3.025 1.00 0.00 H new ATOM 0 HG13 ILE A 233 0.272 0.596 -3.054 1.00 0.00 H new ATOM 0 HG21 ILE A 233 -1.413 1.199 0.130 1.00 0.00 H new ATOM 0 HG22 ILE A 233 -1.165 2.959 0.213 1.00 0.00 H new ATOM 0 HG23 ILE A 233 -2.343 2.280 -0.934 1.00 0.00 H new ATOM 0 HD11 ILE A 233 -1.033 -1.296 -2.118 1.00 0.00 H new ATOM 0 HD12 ILE A 233 0.053 -0.615 -0.882 1.00 0.00 H new ATOM 0 HD13 ILE A 233 -1.684 -0.227 -0.853 1.00 0.00 H new ATOM 1018 N GLY A 234 -1.565 3.935 -4.285 1.00 0.00 N ATOM 1019 CA GLY A 234 -2.075 3.771 -5.674 1.00 0.00 C ATOM 1020 C GLY A 234 -1.212 4.578 -6.650 1.00 0.00 C ATOM 1021 O GLY A 234 -1.719 5.318 -7.471 1.00 0.00 O ATOM 0 H GLY A 234 -1.953 4.725 -3.769 1.00 0.00 H new ATOM 0 HA2 GLY A 234 -2.064 2.717 -5.952 1.00 0.00 H new ATOM 0 HA3 GLY A 234 -3.111 4.104 -5.731 1.00 0.00 H new ATOM 1025 N GLN A 235 0.086 4.442 -6.577 1.00 0.00 N ATOM 1026 CA GLN A 235 0.964 5.207 -7.513 1.00 0.00 C ATOM 1027 C GLN A 235 2.438 4.849 -7.288 1.00 0.00 C ATOM 1028 O GLN A 235 3.298 5.707 -7.264 1.00 0.00 O ATOM 1029 CB GLN A 235 0.714 6.678 -7.179 1.00 0.00 C ATOM 1030 CG GLN A 235 1.218 6.974 -5.765 1.00 0.00 C ATOM 1031 CD GLN A 235 1.036 8.462 -5.460 1.00 0.00 C ATOM 1032 OE1 GLN A 235 0.941 9.272 -6.360 1.00 0.00 O ATOM 1033 NE2 GLN A 235 0.981 8.858 -4.218 1.00 0.00 N ATOM 0 H GLN A 235 0.574 3.839 -5.915 1.00 0.00 H new ATOM 0 HA GLN A 235 0.743 4.979 -8.556 1.00 0.00 H new ATOM 0 HB2 GLN A 235 1.224 7.317 -7.899 1.00 0.00 H new ATOM 0 HB3 GLN A 235 -0.350 6.902 -7.251 1.00 0.00 H new ATOM 0 HG2 GLN A 235 0.670 6.373 -5.039 1.00 0.00 H new ATOM 0 HG3 GLN A 235 2.269 6.700 -5.677 1.00 0.00 H new ATOM 0 HE21 GLN A 235 1.061 8.178 -3.462 1.00 0.00 H new ATOM 0 HE22 GLN A 235 0.858 9.848 -4.003 1.00 0.00 H new ATOM 1042 N VAL A 236 2.733 3.588 -7.132 1.00 0.00 N ATOM 1043 CA VAL A 236 4.148 3.162 -6.914 1.00 0.00 C ATOM 1044 C VAL A 236 4.273 1.663 -7.177 1.00 0.00 C ATOM 1045 O VAL A 236 4.962 0.956 -6.469 1.00 0.00 O ATOM 1046 CB VAL A 236 4.442 3.460 -5.441 1.00 0.00 C ATOM 1047 CG1 VAL A 236 4.699 4.954 -5.253 1.00 0.00 C ATOM 1048 CG2 VAL A 236 3.242 3.037 -4.587 1.00 0.00 C ATOM 0 H VAL A 236 2.052 2.829 -7.146 1.00 0.00 H new ATOM 0 HA VAL A 236 4.842 3.679 -7.577 1.00 0.00 H new ATOM 0 HB VAL A 236 5.327 2.904 -5.132 1.00 0.00 H new ATOM 0 HG11 VAL A 236 4.907 5.158 -4.203 1.00 0.00 H new ATOM 0 HG12 VAL A 236 5.554 5.255 -5.858 1.00 0.00 H new ATOM 0 HG13 VAL A 236 3.819 5.517 -5.564 1.00 0.00 H new ATOM 0 HG21 VAL A 236 3.449 3.248 -3.538 1.00 0.00 H new ATOM 0 HG22 VAL A 236 2.358 3.592 -4.901 1.00 0.00 H new ATOM 0 HG23 VAL A 236 3.064 1.969 -4.714 1.00 0.00 H new ATOM 1058 N ARG A 237 3.583 1.169 -8.174 1.00 0.00 N ATOM 1059 CA ARG A 237 3.624 -0.294 -8.475 1.00 0.00 C ATOM 1060 C ARG A 237 2.798 -1.052 -7.427 1.00 0.00 C ATOM 1061 O ARG A 237 2.635 -2.260 -7.492 1.00 0.00 O ATOM 1062 CB ARG A 237 5.101 -0.694 -8.403 1.00 0.00 C ATOM 1063 CG ARG A 237 5.395 -1.761 -9.459 1.00 0.00 C ATOM 1064 CD ARG A 237 6.587 -2.607 -9.008 1.00 0.00 C ATOM 1065 NE ARG A 237 6.345 -3.955 -9.590 1.00 0.00 N ATOM 1066 CZ ARG A 237 6.949 -4.306 -10.691 1.00 0.00 C ATOM 1067 NH1 ARG A 237 8.168 -4.768 -10.647 1.00 0.00 N ATOM 1068 NH2 ARG A 237 6.334 -4.195 -11.837 1.00 0.00 N ATOM 0 H ARG A 237 2.990 1.719 -8.795 1.00 0.00 H new ATOM 0 HA ARG A 237 3.205 -0.529 -9.453 1.00 0.00 H new ATOM 0 HB2 ARG A 237 5.733 0.179 -8.567 1.00 0.00 H new ATOM 0 HB3 ARG A 237 5.337 -1.076 -7.410 1.00 0.00 H new ATOM 0 HG2 ARG A 237 4.520 -2.394 -9.605 1.00 0.00 H new ATOM 0 HG3 ARG A 237 5.611 -1.290 -10.418 1.00 0.00 H new ATOM 0 HD2 ARG A 237 7.527 -2.186 -9.365 1.00 0.00 H new ATOM 0 HD3 ARG A 237 6.650 -2.652 -7.921 1.00 0.00 H new ATOM 0 HE ARG A 237 5.707 -4.604 -9.128 1.00 0.00 H new ATOM 0 HH11 ARG A 237 8.649 -4.855 -9.751 1.00 0.00 H new ATOM 0 HH12 ARG A 237 8.641 -5.043 -11.508 1.00 0.00 H new ATOM 0 HH21 ARG A 237 5.381 -3.834 -11.871 1.00 0.00 H new ATOM 0 HH22 ARG A 237 6.807 -4.470 -12.698 1.00 0.00 H new ATOM 1082 N GLY A 238 2.264 -0.344 -6.465 1.00 0.00 N ATOM 1083 CA GLY A 238 1.445 -1.004 -5.421 1.00 0.00 C ATOM 1084 C GLY A 238 0.201 -1.590 -6.072 1.00 0.00 C ATOM 1085 O GLY A 238 -0.053 -2.770 -5.994 1.00 0.00 O ATOM 0 H GLY A 238 2.364 0.666 -6.363 1.00 0.00 H new ATOM 0 HA2 GLY A 238 2.020 -1.789 -4.931 1.00 0.00 H new ATOM 0 HA3 GLY A 238 1.165 -0.286 -4.651 1.00 0.00 H new ATOM 1089 N LEU A 239 -0.575 -0.771 -6.722 1.00 0.00 N ATOM 1090 CA LEU A 239 -1.803 -1.287 -7.382 1.00 0.00 C ATOM 1091 C LEU A 239 -1.503 -2.598 -8.104 1.00 0.00 C ATOM 1092 O LEU A 239 -2.330 -3.477 -8.164 1.00 0.00 O ATOM 1093 CB LEU A 239 -2.203 -0.203 -8.385 1.00 0.00 C ATOM 1094 CG LEU A 239 -2.578 1.077 -7.640 1.00 0.00 C ATOM 1095 CD1 LEU A 239 -1.760 2.244 -8.199 1.00 0.00 C ATOM 1096 CD2 LEU A 239 -4.070 1.362 -7.835 1.00 0.00 C ATOM 0 H LEU A 239 -0.412 0.231 -6.824 1.00 0.00 H new ATOM 0 HA LEU A 239 -2.599 -1.493 -6.666 1.00 0.00 H new ATOM 0 HB2 LEU A 239 -1.379 -0.007 -9.071 1.00 0.00 H new ATOM 0 HB3 LEU A 239 -3.045 -0.544 -8.987 1.00 0.00 H new ATOM 0 HG LEU A 239 -2.367 0.957 -6.577 1.00 0.00 H new ATOM 0 HD11 LEU A 239 -2.024 3.160 -7.670 1.00 0.00 H new ATOM 0 HD12 LEU A 239 -0.698 2.041 -8.064 1.00 0.00 H new ATOM 0 HD13 LEU A 239 -1.975 2.363 -9.261 1.00 0.00 H new ATOM 0 HD21 LEU A 239 -4.338 2.275 -7.304 1.00 0.00 H new ATOM 0 HD22 LEU A 239 -4.281 1.485 -8.897 1.00 0.00 H new ATOM 0 HD23 LEU A 239 -4.654 0.529 -7.443 1.00 0.00 H new ATOM 1108 N LYS A 240 -0.331 -2.741 -8.652 1.00 0.00 N ATOM 1109 CA LYS A 240 -0.004 -4.009 -9.365 1.00 0.00 C ATOM 1110 C LYS A 240 0.032 -5.171 -8.375 1.00 0.00 C ATOM 1111 O LYS A 240 -0.729 -6.111 -8.485 1.00 0.00 O ATOM 1112 CB LYS A 240 1.374 -3.783 -9.978 1.00 0.00 C ATOM 1113 CG LYS A 240 1.875 -5.084 -10.610 1.00 0.00 C ATOM 1114 CD LYS A 240 0.995 -5.444 -11.808 1.00 0.00 C ATOM 1115 CE LYS A 240 1.456 -6.778 -12.399 1.00 0.00 C ATOM 1116 NZ LYS A 240 0.504 -7.057 -13.508 1.00 0.00 N ATOM 0 H LYS A 240 0.411 -2.042 -8.639 1.00 0.00 H new ATOM 0 HA LYS A 240 -0.746 -4.258 -10.124 1.00 0.00 H new ATOM 0 HB2 LYS A 240 1.323 -2.997 -10.731 1.00 0.00 H new ATOM 0 HB3 LYS A 240 2.073 -3.446 -9.212 1.00 0.00 H new ATOM 0 HG2 LYS A 240 2.911 -4.970 -10.928 1.00 0.00 H new ATOM 0 HG3 LYS A 240 1.854 -5.889 -9.875 1.00 0.00 H new ATOM 0 HD2 LYS A 240 -0.048 -5.512 -11.499 1.00 0.00 H new ATOM 0 HD3 LYS A 240 1.053 -4.660 -12.563 1.00 0.00 H new ATOM 0 HE2 LYS A 240 2.481 -6.714 -12.765 1.00 0.00 H new ATOM 0 HE3 LYS A 240 1.433 -7.570 -11.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 240 0.756 -7.958 -13.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 240 -0.462 -7.119 -13.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 240 0.553 -6.290 -14.208 1.00 0.00 H new ATOM 1130 N ARG A 241 0.896 -5.114 -7.399 1.00 0.00 N ATOM 1131 CA ARG A 241 0.939 -6.229 -6.410 1.00 0.00 C ATOM 1132 C ARG A 241 -0.303 -6.150 -5.525 1.00 0.00 C ATOM 1133 O ARG A 241 -0.765 -7.137 -4.987 1.00 0.00 O ATOM 1134 CB ARG A 241 2.210 -6.012 -5.591 1.00 0.00 C ATOM 1135 CG ARG A 241 3.380 -5.716 -6.530 1.00 0.00 C ATOM 1136 CD ARG A 241 4.608 -6.516 -6.086 1.00 0.00 C ATOM 1137 NE ARG A 241 4.397 -7.884 -6.638 1.00 0.00 N ATOM 1138 CZ ARG A 241 5.358 -8.766 -6.584 1.00 0.00 C ATOM 1139 NH1 ARG A 241 5.882 -9.092 -5.434 1.00 0.00 N ATOM 1140 NH2 ARG A 241 5.797 -9.323 -7.680 1.00 0.00 N ATOM 0 H ARG A 241 1.563 -4.358 -7.244 1.00 0.00 H new ATOM 0 HA ARG A 241 0.950 -7.211 -6.882 1.00 0.00 H new ATOM 0 HB2 ARG A 241 2.070 -5.184 -4.896 1.00 0.00 H new ATOM 0 HB3 ARG A 241 2.425 -6.898 -4.993 1.00 0.00 H new ATOM 0 HG2 ARG A 241 3.113 -5.978 -7.554 1.00 0.00 H new ATOM 0 HG3 ARG A 241 3.605 -4.650 -6.522 1.00 0.00 H new ATOM 0 HD2 ARG A 241 5.527 -6.073 -6.469 1.00 0.00 H new ATOM 0 HD3 ARG A 241 4.693 -6.538 -5.000 1.00 0.00 H new ATOM 0 HE ARG A 241 3.501 -8.131 -7.058 1.00 0.00 H new ATOM 0 HH11 ARG A 241 5.541 -8.658 -4.577 1.00 0.00 H new ATOM 0 HH12 ARG A 241 6.633 -9.781 -5.393 1.00 0.00 H new ATOM 0 HH21 ARG A 241 5.389 -9.069 -8.580 1.00 0.00 H new ATOM 0 HH22 ARG A 241 6.548 -10.012 -7.637 1.00 0.00 H new ATOM 1154 N LEU A 242 -0.859 -4.978 -5.398 1.00 0.00 N ATOM 1155 CA LEU A 242 -2.088 -4.811 -4.579 1.00 0.00 C ATOM 1156 C LEU A 242 -3.272 -5.356 -5.368 1.00 0.00 C ATOM 1157 O LEU A 242 -4.173 -5.963 -4.825 1.00 0.00 O ATOM 1158 CB LEU A 242 -2.220 -3.300 -4.384 1.00 0.00 C ATOM 1159 CG LEU A 242 -3.057 -3.001 -3.138 1.00 0.00 C ATOM 1160 CD1 LEU A 242 -4.297 -3.893 -3.130 1.00 0.00 C ATOM 1161 CD2 LEU A 242 -2.223 -3.271 -1.883 1.00 0.00 C ATOM 0 H LEU A 242 -0.511 -4.123 -5.831 1.00 0.00 H new ATOM 0 HA LEU A 242 -2.051 -5.336 -3.625 1.00 0.00 H new ATOM 0 HB2 LEU A 242 -1.232 -2.851 -4.284 1.00 0.00 H new ATOM 0 HB3 LEU A 242 -2.687 -2.852 -5.261 1.00 0.00 H new ATOM 0 HG LEU A 242 -3.363 -1.955 -3.150 1.00 0.00 H new ATOM 0 HD11 LEU A 242 -4.893 -3.680 -2.243 1.00 0.00 H new ATOM 0 HD12 LEU A 242 -4.892 -3.697 -4.022 1.00 0.00 H new ATOM 0 HD13 LEU A 242 -3.992 -4.940 -3.120 1.00 0.00 H new ATOM 0 HD21 LEU A 242 -2.820 -3.058 -0.996 1.00 0.00 H new ATOM 0 HD22 LEU A 242 -1.914 -4.316 -1.869 1.00 0.00 H new ATOM 0 HD23 LEU A 242 -1.340 -2.632 -1.888 1.00 0.00 H new ATOM 1173 N ASP A 243 -3.261 -5.158 -6.657 1.00 0.00 N ATOM 1174 CA ASP A 243 -4.378 -5.687 -7.492 1.00 0.00 C ATOM 1175 C ASP A 243 -4.337 -7.210 -7.448 1.00 0.00 C ATOM 1176 O ASP A 243 -5.331 -7.865 -7.207 1.00 0.00 O ATOM 1177 CB ASP A 243 -4.117 -5.181 -8.912 1.00 0.00 C ATOM 1178 CG ASP A 243 -4.701 -3.776 -9.067 1.00 0.00 C ATOM 1179 OD1 ASP A 243 -4.919 -3.132 -8.054 1.00 0.00 O ATOM 1180 OD2 ASP A 243 -4.919 -3.367 -10.195 1.00 0.00 O ATOM 0 H ASP A 243 -2.533 -4.657 -7.166 1.00 0.00 H new ATOM 0 HA ASP A 243 -5.357 -5.362 -7.141 1.00 0.00 H new ATOM 0 HB2 ASP A 243 -3.046 -5.166 -9.113 1.00 0.00 H new ATOM 0 HB3 ASP A 243 -4.568 -5.856 -9.639 1.00 0.00 H new ATOM 1185 N ASN A 244 -3.181 -7.776 -7.661 1.00 0.00 N ATOM 1186 CA ASN A 244 -3.062 -9.258 -7.613 1.00 0.00 C ATOM 1187 C ASN A 244 -3.349 -9.744 -6.191 1.00 0.00 C ATOM 1188 O ASN A 244 -3.744 -10.873 -5.979 1.00 0.00 O ATOM 1189 CB ASN A 244 -1.613 -9.553 -8.001 1.00 0.00 C ATOM 1190 CG ASN A 244 -1.571 -10.754 -8.946 1.00 0.00 C ATOM 1191 OD1 ASN A 244 -2.377 -11.657 -8.837 1.00 0.00 O ATOM 1192 ND2 ASN A 244 -0.656 -10.803 -9.874 1.00 0.00 N ATOM 0 H ASN A 244 -2.316 -7.276 -7.866 1.00 0.00 H new ATOM 0 HA ASN A 244 -3.765 -9.760 -8.278 1.00 0.00 H new ATOM 0 HB2 ASN A 244 -1.170 -8.682 -8.484 1.00 0.00 H new ATOM 0 HB3 ASN A 244 -1.021 -9.758 -7.109 1.00 0.00 H new ATOM 0 HD21 ASN A 244 -0.616 -11.600 -10.509 1.00 0.00 H new ATOM 0 HD22 ASN A 244 0.020 -10.044 -9.964 1.00 0.00 H new ATOM 1199 N TYR A 245 -3.173 -8.892 -5.215 1.00 0.00 N ATOM 1200 CA TYR A 245 -3.457 -9.302 -3.818 1.00 0.00 C ATOM 1201 C TYR A 245 -4.965 -9.279 -3.600 1.00 0.00 C ATOM 1202 O TYR A 245 -5.524 -10.113 -2.917 1.00 0.00 O ATOM 1203 CB TYR A 245 -2.777 -8.257 -2.937 1.00 0.00 C ATOM 1204 CG TYR A 245 -3.244 -8.445 -1.516 1.00 0.00 C ATOM 1205 CD1 TYR A 245 -2.640 -9.413 -0.706 1.00 0.00 C ATOM 1206 CD2 TYR A 245 -4.290 -7.662 -1.011 1.00 0.00 C ATOM 1207 CE1 TYR A 245 -3.079 -9.597 0.608 1.00 0.00 C ATOM 1208 CE2 TYR A 245 -4.727 -7.846 0.305 1.00 0.00 C ATOM 1209 CZ TYR A 245 -4.121 -8.814 1.114 1.00 0.00 C ATOM 1210 OH TYR A 245 -4.552 -8.998 2.410 1.00 0.00 O ATOM 0 H TYR A 245 -2.845 -7.933 -5.330 1.00 0.00 H new ATOM 0 HA TYR A 245 -3.095 -10.305 -3.590 1.00 0.00 H new ATOM 0 HB2 TYR A 245 -1.694 -8.361 -2.996 1.00 0.00 H new ATOM 0 HB3 TYR A 245 -3.020 -7.253 -3.285 1.00 0.00 H new ATOM 0 HD1 TYR A 245 -1.835 -10.018 -1.096 1.00 0.00 H new ATOM 0 HD2 TYR A 245 -4.759 -6.917 -1.637 1.00 0.00 H new ATOM 0 HE1 TYR A 245 -2.613 -10.344 1.233 1.00 0.00 H new ATOM 0 HE2 TYR A 245 -5.532 -7.241 0.697 1.00 0.00 H new ATOM 0 HH TYR A 245 -5.518 -8.839 2.459 1.00 0.00 H new ATOM 1220 N CYS A 246 -5.629 -8.330 -4.197 1.00 0.00 N ATOM 1221 CA CYS A 246 -7.100 -8.248 -4.049 1.00 0.00 C ATOM 1222 C CYS A 246 -7.740 -9.448 -4.742 1.00 0.00 C ATOM 1223 O CYS A 246 -8.736 -9.979 -4.300 1.00 0.00 O ATOM 1224 CB CYS A 246 -7.500 -6.945 -4.741 1.00 0.00 C ATOM 1225 SG CYS A 246 -7.196 -5.552 -3.624 1.00 0.00 S ATOM 0 H CYS A 246 -5.211 -7.607 -4.782 1.00 0.00 H new ATOM 0 HA CYS A 246 -7.423 -8.259 -3.008 1.00 0.00 H new ATOM 0 HB2 CYS A 246 -6.929 -6.819 -5.661 1.00 0.00 H new ATOM 0 HB3 CYS A 246 -8.553 -6.978 -5.021 1.00 0.00 H new ATOM 0 HG CYS A 246 -7.534 -4.443 -4.212 1.00 0.00 H new ATOM 1231 N LYS A 247 -7.166 -9.885 -5.827 1.00 0.00 N ATOM 1232 CA LYS A 247 -7.735 -11.057 -6.542 1.00 0.00 C ATOM 1233 C LYS A 247 -7.298 -12.351 -5.846 1.00 0.00 C ATOM 1234 O LYS A 247 -7.954 -13.370 -5.931 1.00 0.00 O ATOM 1235 CB LYS A 247 -7.177 -10.951 -7.974 1.00 0.00 C ATOM 1236 CG LYS A 247 -5.954 -11.859 -8.158 1.00 0.00 C ATOM 1237 CD LYS A 247 -5.448 -11.745 -9.596 1.00 0.00 C ATOM 1238 CE LYS A 247 -5.137 -13.140 -10.141 1.00 0.00 C ATOM 1239 NZ LYS A 247 -6.119 -13.351 -11.242 1.00 0.00 N ATOM 0 H LYS A 247 -6.329 -9.481 -6.248 1.00 0.00 H new ATOM 0 HA LYS A 247 -8.825 -11.071 -6.548 1.00 0.00 H new ATOM 0 HB2 LYS A 247 -7.950 -11.228 -8.691 1.00 0.00 H new ATOM 0 HB3 LYS A 247 -6.902 -9.918 -8.185 1.00 0.00 H new ATOM 0 HG2 LYS A 247 -5.167 -11.573 -7.460 1.00 0.00 H new ATOM 0 HG3 LYS A 247 -6.218 -12.893 -7.935 1.00 0.00 H new ATOM 0 HD2 LYS A 247 -6.199 -11.259 -10.219 1.00 0.00 H new ATOM 0 HD3 LYS A 247 -4.554 -11.122 -9.630 1.00 0.00 H new ATOM 0 HE2 LYS A 247 -4.113 -13.201 -10.509 1.00 0.00 H new ATOM 0 HE3 LYS A 247 -5.243 -13.899 -9.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 247 -5.969 -14.289 -11.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 247 -7.085 -13.294 -10.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 247 -5.989 -12.618 -11.968 1.00 0.00 H new ATOM 1253 N GLN A 248 -6.197 -12.309 -5.150 1.00 0.00 N ATOM 1254 CA GLN A 248 -5.718 -13.524 -4.438 1.00 0.00 C ATOM 1255 C GLN A 248 -6.224 -13.507 -2.994 1.00 0.00 C ATOM 1256 O GLN A 248 -6.041 -14.450 -2.249 1.00 0.00 O ATOM 1257 CB GLN A 248 -4.192 -13.425 -4.475 1.00 0.00 C ATOM 1258 CG GLN A 248 -3.586 -14.831 -4.485 1.00 0.00 C ATOM 1259 CD GLN A 248 -2.300 -14.827 -5.316 1.00 0.00 C ATOM 1260 OE1 GLN A 248 -2.106 -13.966 -6.152 1.00 0.00 O ATOM 1261 NE2 GLN A 248 -1.408 -15.761 -5.123 1.00 0.00 N ATOM 0 H GLN A 248 -5.607 -11.483 -5.044 1.00 0.00 H new ATOM 0 HA GLN A 248 -6.075 -14.447 -4.894 1.00 0.00 H new ATOM 0 HB2 GLN A 248 -3.875 -12.875 -5.361 1.00 0.00 H new ATOM 0 HB3 GLN A 248 -3.832 -12.869 -3.609 1.00 0.00 H new ATOM 0 HG2 GLN A 248 -3.372 -15.154 -3.466 1.00 0.00 H new ATOM 0 HG3 GLN A 248 -4.299 -15.543 -4.902 1.00 0.00 H new ATOM 0 HE21 GLN A 248 -1.570 -16.484 -4.422 1.00 0.00 H new ATOM 0 HE22 GLN A 248 -0.549 -15.768 -5.673 1.00 0.00 H new ATOM 1270 N PHE A 249 -6.854 -12.435 -2.589 1.00 0.00 N ATOM 1271 CA PHE A 249 -7.362 -12.360 -1.189 1.00 0.00 C ATOM 1272 C PHE A 249 -8.734 -11.673 -1.119 1.00 0.00 C ATOM 1273 O PHE A 249 -9.411 -11.751 -0.112 1.00 0.00 O ATOM 1274 CB PHE A 249 -6.319 -11.531 -0.440 1.00 0.00 C ATOM 1275 CG PHE A 249 -5.038 -12.321 -0.327 1.00 0.00 C ATOM 1276 CD1 PHE A 249 -4.071 -12.235 -1.336 1.00 0.00 C ATOM 1277 CD2 PHE A 249 -4.821 -13.139 0.785 1.00 0.00 C ATOM 1278 CE1 PHE A 249 -2.884 -12.969 -1.230 1.00 0.00 C ATOM 1279 CE2 PHE A 249 -3.634 -13.874 0.892 1.00 0.00 C ATOM 1280 CZ PHE A 249 -2.666 -13.789 -0.116 1.00 0.00 C ATOM 0 H PHE A 249 -7.037 -11.613 -3.164 1.00 0.00 H new ATOM 0 HA PHE A 249 -7.499 -13.354 -0.762 1.00 0.00 H new ATOM 0 HB2 PHE A 249 -6.136 -10.594 -0.967 1.00 0.00 H new ATOM 0 HB3 PHE A 249 -6.688 -11.272 0.552 1.00 0.00 H new ATOM 0 HD1 PHE A 249 -4.241 -11.603 -2.195 1.00 0.00 H new ATOM 0 HD2 PHE A 249 -5.569 -13.204 1.562 1.00 0.00 H new ATOM 0 HE1 PHE A 249 -2.137 -12.903 -2.007 1.00 0.00 H new ATOM 0 HE2 PHE A 249 -3.465 -14.506 1.751 1.00 0.00 H new ATOM 0 HZ PHE A 249 -1.751 -14.356 -0.034 1.00 0.00 H new ATOM 1290 N ILE A 250 -9.157 -10.995 -2.154 1.00 0.00 N ATOM 1291 CA ILE A 250 -10.485 -10.316 -2.081 1.00 0.00 C ATOM 1292 C ILE A 250 -11.398 -10.771 -3.230 1.00 0.00 C ATOM 1293 O ILE A 250 -12.605 -10.767 -3.106 1.00 0.00 O ATOM 1294 CB ILE A 250 -10.162 -8.818 -2.166 1.00 0.00 C ATOM 1295 CG1 ILE A 250 -9.899 -8.279 -0.759 1.00 0.00 C ATOM 1296 CG2 ILE A 250 -11.334 -8.049 -2.776 1.00 0.00 C ATOM 1297 CD1 ILE A 250 -8.435 -7.852 -0.641 1.00 0.00 C ATOM 0 H ILE A 250 -8.651 -10.883 -3.032 1.00 0.00 H new ATOM 0 HA ILE A 250 -11.027 -10.558 -1.167 1.00 0.00 H new ATOM 0 HB ILE A 250 -9.282 -8.686 -2.796 1.00 0.00 H new ATOM 0 HG12 ILE A 250 -10.553 -7.432 -0.555 1.00 0.00 H new ATOM 0 HG13 ILE A 250 -10.127 -9.044 -0.017 1.00 0.00 H new ATOM 0 HG21 ILE A 250 -11.086 -6.989 -2.828 1.00 0.00 H new ATOM 0 HG22 ILE A 250 -11.533 -8.425 -3.780 1.00 0.00 H new ATOM 0 HG23 ILE A 250 -12.220 -8.184 -2.156 1.00 0.00 H new ATOM 0 HD11 ILE A 250 -8.248 -7.468 0.362 1.00 0.00 H new ATOM 0 HD12 ILE A 250 -7.790 -8.710 -0.827 1.00 0.00 H new ATOM 0 HD13 ILE A 250 -8.223 -7.073 -1.373 1.00 0.00 H new ATOM 1309 N ILE A 251 -10.843 -11.165 -4.340 1.00 0.00 N ATOM 1310 CA ILE A 251 -11.707 -11.613 -5.474 1.00 0.00 C ATOM 1311 C ILE A 251 -11.232 -12.973 -5.994 1.00 0.00 C ATOM 1312 O ILE A 251 -10.276 -13.538 -5.501 1.00 0.00 O ATOM 1313 CB ILE A 251 -11.564 -10.542 -6.563 1.00 0.00 C ATOM 1314 CG1 ILE A 251 -11.376 -9.160 -5.928 1.00 0.00 C ATOM 1315 CG2 ILE A 251 -12.829 -10.527 -7.424 1.00 0.00 C ATOM 1316 CD1 ILE A 251 -11.191 -8.114 -7.028 1.00 0.00 C ATOM 0 H ILE A 251 -9.839 -11.198 -4.514 1.00 0.00 H new ATOM 0 HA ILE A 251 -12.746 -11.729 -5.166 1.00 0.00 H new ATOM 0 HB ILE A 251 -10.694 -10.775 -7.176 1.00 0.00 H new ATOM 0 HG12 ILE A 251 -12.241 -8.909 -5.315 1.00 0.00 H new ATOM 0 HG13 ILE A 251 -10.509 -9.166 -5.268 1.00 0.00 H new ATOM 0 HG21 ILE A 251 -12.732 -9.767 -8.200 1.00 0.00 H new ATOM 0 HG22 ILE A 251 -12.965 -11.504 -7.888 1.00 0.00 H new ATOM 0 HG23 ILE A 251 -13.692 -10.299 -6.799 1.00 0.00 H new ATOM 0 HD11 ILE A 251 -11.057 -7.131 -6.577 1.00 0.00 H new ATOM 0 HD12 ILE A 251 -10.312 -8.363 -7.623 1.00 0.00 H new ATOM 0 HD13 ILE A 251 -12.072 -8.102 -7.670 1.00 0.00 H new