USER MOD reduce.3.24.130724 H: found=0, std=0, add=372, rem=0, adj=9 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 240 LYS NZ :NH3+ -141:sc= 0 (180deg=0) USER MOD Set 1.2: A 244 ASN : amide:sc= -0.545 K(o=-0.54,f=-2.9!) USER MOD Set 2.1: A 230 TYR OH : rot -146:sc= -2.33! USER MOD Set 2.2: A 246 CYS SG : rot 142:sc= 0.441 USER MOD Set 3.1: A 229 THR OG1 : rot 180:sc= 0.909 USER MOD Set 3.2: A 232 SER OG : rot 102:sc= 1.08 USER MOD Set 4.1: A 184 ASN : amide:sc= 0.206 K(o=-11,f=-16!) USER MOD Set 4.2: A 185 HIS : no HD1:sc= -5.66! C(o=-11!,f=-27!) USER MOD Set 4.3: A 245 TYR OH : rot -149:sc= -5.07! USER MOD Single : A 210 ASN : amide:sc= -0.0523 K(o=-0.052,f=-0.61) USER MOD Single : A 211 TYR OH : rot 180:sc= 0 USER MOD Single : A 216 LYS NZ :NH3+ -139:sc= -0.222 (180deg=-1.64!) USER MOD Single : A 225 ASN : amide:sc= -1.65 K(o=-1.7,f=-2.5!) USER MOD Single : A 226 THR OG1 : rot -87:sc= 0.404! USER MOD Single : A 235 GLN : amide:sc= 0 X(o=0,f=-0.066) 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=-0.048) USER MOD ----------------------------------------------------------------- ATOM 105 N ILE A 179 6.019 -1.190 -4.073 1.00 0.00 N ATOM 106 CA ILE A 179 5.395 -2.209 -3.181 1.00 0.00 C ATOM 107 C ILE A 179 6.096 -3.560 -3.353 1.00 0.00 C ATOM 108 O ILE A 179 6.291 -4.033 -4.456 1.00 0.00 O ATOM 109 CB ILE A 179 3.917 -2.268 -3.620 1.00 0.00 C ATOM 110 CG1 ILE A 179 3.026 -2.215 -2.382 1.00 0.00 C ATOM 111 CG2 ILE A 179 3.608 -3.561 -4.394 1.00 0.00 C ATOM 112 CD1 ILE A 179 1.558 -2.285 -2.806 1.00 0.00 C ATOM 0 HA ILE A 179 5.482 -1.957 -2.124 1.00 0.00 H new ATOM 0 HB ILE A 179 3.725 -1.419 -4.276 1.00 0.00 H new ATOM 0 HG12 ILE A 179 3.263 -3.044 -1.715 1.00 0.00 H new ATOM 0 HG13 ILE A 179 3.212 -1.296 -1.826 1.00 0.00 H new ATOM 0 HG21 ILE A 179 2.558 -3.568 -4.687 1.00 0.00 H new ATOM 0 HG22 ILE A 179 4.234 -3.610 -5.285 1.00 0.00 H new ATOM 0 HG23 ILE A 179 3.813 -4.423 -3.759 1.00 0.00 H new ATOM 0 HD11 ILE A 179 0.922 -2.247 -1.922 1.00 0.00 H new ATOM 0 HD12 ILE A 179 1.326 -1.441 -3.456 1.00 0.00 H new ATOM 0 HD13 ILE A 179 1.378 -3.217 -3.343 1.00 0.00 H new ATOM 124 N ASP A 180 6.462 -4.192 -2.273 1.00 0.00 N ATOM 125 CA ASP A 180 7.128 -5.516 -2.388 1.00 0.00 C ATOM 126 C ASP A 180 6.090 -6.620 -2.226 1.00 0.00 C ATOM 127 O ASP A 180 6.028 -7.547 -3.010 1.00 0.00 O ATOM 128 CB ASP A 180 8.151 -5.560 -1.251 1.00 0.00 C ATOM 129 CG ASP A 180 9.347 -6.416 -1.674 1.00 0.00 C ATOM 130 OD1 ASP A 180 9.364 -6.854 -2.812 1.00 0.00 O ATOM 131 OD2 ASP A 180 10.225 -6.620 -0.851 1.00 0.00 O ATOM 0 H ASP A 180 6.329 -3.850 -1.321 1.00 0.00 H new ATOM 0 HA ASP A 180 7.609 -5.660 -3.356 1.00 0.00 H new ATOM 0 HB2 ASP A 180 8.481 -4.551 -1.005 1.00 0.00 H new ATOM 0 HB3 ASP A 180 7.694 -5.974 -0.352 1.00 0.00 H new ATOM 136 N ILE A 181 5.269 -6.530 -1.216 1.00 0.00 N ATOM 137 CA ILE A 181 4.240 -7.584 -1.006 1.00 0.00 C ATOM 138 C ILE A 181 3.108 -7.081 -0.105 1.00 0.00 C ATOM 139 O ILE A 181 3.329 -6.348 0.836 1.00 0.00 O ATOM 140 CB ILE A 181 4.992 -8.706 -0.294 1.00 0.00 C ATOM 141 CG1 ILE A 181 5.903 -9.441 -1.277 1.00 0.00 C ATOM 142 CG2 ILE A 181 3.993 -9.695 0.311 1.00 0.00 C ATOM 143 CD1 ILE A 181 6.441 -10.705 -0.607 1.00 0.00 C ATOM 0 H ILE A 181 5.267 -5.775 -0.530 1.00 0.00 H new ATOM 0 HA ILE A 181 3.782 -7.894 -1.945 1.00 0.00 H new ATOM 0 HB ILE A 181 5.601 -8.271 0.498 1.00 0.00 H new ATOM 0 HG12 ILE A 181 5.351 -9.700 -2.181 1.00 0.00 H new ATOM 0 HG13 ILE A 181 6.727 -8.796 -1.581 1.00 0.00 H new ATOM 0 HG21 ILE A 181 4.534 -10.494 0.818 1.00 0.00 H new ATOM 0 HG22 ILE A 181 3.356 -9.176 1.028 1.00 0.00 H new ATOM 0 HG23 ILE A 181 3.377 -10.120 -0.481 1.00 0.00 H new ATOM 0 HD11 ILE A 181 7.092 -11.236 -1.301 1.00 0.00 H new ATOM 0 HD12 ILE A 181 7.006 -10.432 0.284 1.00 0.00 H new ATOM 0 HD13 ILE A 181 5.609 -11.350 -0.325 1.00 0.00 H new ATOM 155 N VAL A 182 1.903 -7.502 -0.366 1.00 0.00 N ATOM 156 CA VAL A 182 0.761 -7.084 0.495 1.00 0.00 C ATOM 157 C VAL A 182 0.570 -8.129 1.601 1.00 0.00 C ATOM 158 O VAL A 182 -0.092 -9.132 1.418 1.00 0.00 O ATOM 159 CB VAL A 182 -0.444 -7.036 -0.444 1.00 0.00 C ATOM 160 CG1 VAL A 182 -1.647 -6.455 0.298 1.00 0.00 C ATOM 161 CG2 VAL A 182 -0.104 -6.147 -1.640 1.00 0.00 C ATOM 0 H VAL A 182 1.658 -8.119 -1.140 1.00 0.00 H new ATOM 0 HA VAL A 182 0.913 -6.121 0.982 1.00 0.00 H new ATOM 0 HB VAL A 182 -0.686 -8.042 -0.787 1.00 0.00 H new ATOM 0 HG11 VAL A 182 -2.506 -6.421 -0.372 1.00 0.00 H new ATOM 0 HG12 VAL A 182 -1.882 -7.083 1.158 1.00 0.00 H new ATOM 0 HG13 VAL A 182 -1.412 -5.446 0.638 1.00 0.00 H new ATOM 0 HG21 VAL A 182 -0.957 -6.106 -2.317 1.00 0.00 H new ATOM 0 HG22 VAL A 182 0.131 -5.142 -1.291 1.00 0.00 H new ATOM 0 HG23 VAL A 182 0.757 -6.559 -2.166 1.00 0.00 H new ATOM 171 N ILE A 183 1.174 -7.908 2.738 1.00 0.00 N ATOM 172 CA ILE A 183 1.070 -8.890 3.861 1.00 0.00 C ATOM 173 C ILE A 183 -0.390 -9.206 4.195 1.00 0.00 C ATOM 174 O ILE A 183 -0.729 -10.323 4.533 1.00 0.00 O ATOM 175 CB ILE A 183 1.745 -8.201 5.050 1.00 0.00 C ATOM 176 CG1 ILE A 183 3.177 -7.822 4.680 1.00 0.00 C ATOM 177 CG2 ILE A 183 1.778 -9.154 6.244 1.00 0.00 C ATOM 178 CD1 ILE A 183 3.877 -9.025 4.047 1.00 0.00 C ATOM 0 H ILE A 183 1.740 -7.084 2.940 1.00 0.00 H new ATOM 0 HA ILE A 183 1.538 -9.840 3.604 1.00 0.00 H new ATOM 0 HB ILE A 183 1.182 -7.304 5.308 1.00 0.00 H new ATOM 0 HG12 ILE A 183 3.174 -6.983 3.985 1.00 0.00 H new ATOM 0 HG13 ILE A 183 3.720 -7.498 5.568 1.00 0.00 H new ATOM 0 HG21 ILE A 183 2.259 -8.662 7.089 1.00 0.00 H new ATOM 0 HG22 ILE A 183 0.760 -9.431 6.517 1.00 0.00 H new ATOM 0 HG23 ILE A 183 2.339 -10.050 5.979 1.00 0.00 H new ATOM 0 HD11 ILE A 183 4.899 -8.754 3.783 1.00 0.00 H new ATOM 0 HD12 ILE A 183 3.893 -9.852 4.757 1.00 0.00 H new ATOM 0 HD13 ILE A 183 3.339 -9.328 3.149 1.00 0.00 H new ATOM 190 N ASN A 184 -1.256 -8.235 4.118 1.00 0.00 N ATOM 191 CA ASN A 184 -2.686 -8.491 4.450 1.00 0.00 C ATOM 192 C ASN A 184 -3.509 -7.221 4.224 1.00 0.00 C ATOM 193 O ASN A 184 -3.041 -6.268 3.636 1.00 0.00 O ATOM 194 CB ASN A 184 -2.686 -8.878 5.931 1.00 0.00 C ATOM 195 CG ASN A 184 -3.909 -9.745 6.234 1.00 0.00 C ATOM 196 OD1 ASN A 184 -4.842 -9.793 5.457 1.00 0.00 O ATOM 197 ND2 ASN A 184 -3.942 -10.439 7.339 1.00 0.00 N ATOM 0 H ASN A 184 -1.037 -7.278 3.841 1.00 0.00 H new ATOM 0 HA ASN A 184 -3.125 -9.271 3.828 1.00 0.00 H new ATOM 0 HB2 ASN A 184 -1.773 -9.421 6.176 1.00 0.00 H new ATOM 0 HB3 ASN A 184 -2.700 -7.982 6.552 1.00 0.00 H new ATOM 0 HD21 ASN A 184 -4.751 -11.022 7.551 1.00 0.00 H new ATOM 0 HD22 ASN A 184 -3.158 -10.398 7.991 1.00 0.00 H new ATOM 204 N HIS A 185 -4.729 -7.198 4.685 1.00 0.00 N ATOM 205 CA HIS A 185 -5.568 -5.980 4.487 1.00 0.00 C ATOM 206 C HIS A 185 -6.835 -6.043 5.351 1.00 0.00 C ATOM 207 O HIS A 185 -7.140 -7.055 5.949 1.00 0.00 O ATOM 208 CB HIS A 185 -5.926 -5.986 2.995 1.00 0.00 C ATOM 209 CG HIS A 185 -7.074 -6.930 2.743 1.00 0.00 C ATOM 210 ND1 HIS A 185 -6.888 -8.285 2.518 1.00 0.00 N ATOM 211 CD2 HIS A 185 -8.428 -6.724 2.682 1.00 0.00 C ATOM 212 CE1 HIS A 185 -8.103 -8.835 2.334 1.00 0.00 C ATOM 213 NE2 HIS A 185 -9.076 -7.927 2.423 1.00 0.00 N ATOM 0 H HIS A 185 -5.180 -7.963 5.187 1.00 0.00 H new ATOM 0 HA HIS A 185 -5.043 -5.070 4.779 1.00 0.00 H new ATOM 0 HB2 HIS A 185 -6.195 -4.980 2.673 1.00 0.00 H new ATOM 0 HB3 HIS A 185 -5.060 -6.288 2.406 1.00 0.00 H new ATOM 0 HD2 HIS A 185 -8.918 -5.771 2.815 1.00 0.00 H new ATOM 0 HE1 HIS A 185 -8.270 -9.884 2.138 1.00 0.00 H new ATOM 0 HE2 HIS A 185 -10.079 -8.082 2.323 1.00 0.00 H new ATOM 221 N ARG A 186 -7.576 -4.967 5.408 1.00 0.00 N ATOM 222 CA ARG A 186 -8.828 -4.958 6.221 1.00 0.00 C ATOM 223 C ARG A 186 -9.452 -3.558 6.216 1.00 0.00 C ATOM 224 O ARG A 186 -8.847 -2.601 5.776 1.00 0.00 O ATOM 225 CB ARG A 186 -8.394 -5.343 7.636 1.00 0.00 C ATOM 226 CG ARG A 186 -7.180 -4.508 8.044 1.00 0.00 C ATOM 227 CD ARG A 186 -7.348 -4.038 9.491 1.00 0.00 C ATOM 228 NE ARG A 186 -6.888 -5.186 10.321 1.00 0.00 N ATOM 229 CZ ARG A 186 -6.764 -5.050 11.612 1.00 0.00 C ATOM 230 NH1 ARG A 186 -7.747 -4.553 12.313 1.00 0.00 N ATOM 231 NH2 ARG A 186 -5.659 -5.412 12.204 1.00 0.00 N ATOM 0 H ARG A 186 -7.368 -4.093 4.926 1.00 0.00 H new ATOM 0 HA ARG A 186 -9.577 -5.644 5.826 1.00 0.00 H new ATOM 0 HB2 ARG A 186 -9.213 -5.179 8.336 1.00 0.00 H new ATOM 0 HB3 ARG A 186 -8.148 -6.404 7.676 1.00 0.00 H new ATOM 0 HG2 ARG A 186 -6.269 -5.099 7.945 1.00 0.00 H new ATOM 0 HG3 ARG A 186 -7.076 -3.649 7.381 1.00 0.00 H new ATOM 0 HD2 ARG A 186 -6.755 -3.145 9.688 1.00 0.00 H new ATOM 0 HD3 ARG A 186 -8.386 -3.785 9.707 1.00 0.00 H new ATOM 0 HE ARG A 186 -6.670 -6.079 9.879 1.00 0.00 H new ATOM 0 HH11 ARG A 186 -8.612 -4.271 11.851 1.00 0.00 H new ATOM 0 HH12 ARG A 186 -7.650 -4.446 13.323 1.00 0.00 H new ATOM 0 HH21 ARG A 186 -4.891 -5.802 11.657 1.00 0.00 H new ATOM 0 HH22 ARG A 186 -5.563 -5.305 13.214 1.00 0.00 H new ATOM 612 N ASN A 210 -13.348 1.177 0.469 1.00 0.00 N ATOM 613 CA ASN A 210 -13.254 1.197 1.960 1.00 0.00 C ATOM 614 C ASN A 210 -12.382 0.044 2.467 1.00 0.00 C ATOM 615 O ASN A 210 -12.854 -0.855 3.132 1.00 0.00 O ATOM 616 CB ASN A 210 -14.694 1.033 2.449 1.00 0.00 C ATOM 617 CG ASN A 210 -15.376 2.401 2.503 1.00 0.00 C ATOM 618 OD1 ASN A 210 -14.808 3.358 2.988 1.00 0.00 O ATOM 619 ND2 ASN A 210 -16.582 2.533 2.020 1.00 0.00 N ATOM 0 HA ASN A 210 -12.796 2.116 2.326 1.00 0.00 H new ATOM 0 HB2 ASN A 210 -15.242 0.368 1.781 1.00 0.00 H new ATOM 0 HB3 ASN A 210 -14.703 0.571 3.436 1.00 0.00 H new ATOM 0 HD21 ASN A 210 -17.047 3.440 2.050 1.00 0.00 H new ATOM 0 HD22 ASN A 210 -17.059 1.729 1.613 1.00 0.00 H new ATOM 626 N TYR A 211 -11.112 0.061 2.159 1.00 0.00 N ATOM 627 CA TYR A 211 -10.224 -1.042 2.632 1.00 0.00 C ATOM 628 C TYR A 211 -8.747 -0.641 2.554 1.00 0.00 C ATOM 629 O TYR A 211 -8.291 -0.104 1.565 1.00 0.00 O ATOM 630 CB TYR A 211 -10.486 -2.193 1.671 1.00 0.00 C ATOM 631 CG TYR A 211 -11.360 -3.231 2.329 1.00 0.00 C ATOM 632 CD1 TYR A 211 -10.780 -4.213 3.136 1.00 0.00 C ATOM 633 CD2 TYR A 211 -12.744 -3.221 2.123 1.00 0.00 C ATOM 634 CE1 TYR A 211 -11.583 -5.188 3.740 1.00 0.00 C ATOM 635 CE2 TYR A 211 -13.549 -4.194 2.727 1.00 0.00 C ATOM 636 CZ TYR A 211 -12.968 -5.178 3.535 1.00 0.00 C ATOM 637 OH TYR A 211 -13.760 -6.140 4.130 1.00 0.00 O ATOM 0 H TYR A 211 -10.654 0.784 1.605 1.00 0.00 H new ATOM 0 HA TYR A 211 -10.429 -1.296 3.672 1.00 0.00 H new ATOM 0 HB2 TYR A 211 -10.969 -1.820 0.768 1.00 0.00 H new ATOM 0 HB3 TYR A 211 -9.542 -2.643 1.365 1.00 0.00 H new ATOM 0 HD1 TYR A 211 -9.712 -4.220 3.294 1.00 0.00 H new ATOM 0 HD2 TYR A 211 -13.191 -2.462 1.498 1.00 0.00 H new ATOM 0 HE1 TYR A 211 -11.134 -5.947 4.364 1.00 0.00 H new ATOM 0 HE2 TYR A 211 -14.617 -4.185 2.570 1.00 0.00 H new ATOM 0 HH TYR A 211 -14.697 -5.989 3.886 1.00 0.00 H new ATOM 647 N GLU A 212 -7.992 -0.935 3.576 1.00 0.00 N ATOM 648 CA GLU A 212 -6.537 -0.611 3.546 1.00 0.00 C ATOM 649 C GLU A 212 -5.756 -1.903 3.299 1.00 0.00 C ATOM 650 O GLU A 212 -6.336 -2.964 3.183 1.00 0.00 O ATOM 651 CB GLU A 212 -6.215 -0.029 4.923 1.00 0.00 C ATOM 652 CG GLU A 212 -6.607 -1.029 6.007 1.00 0.00 C ATOM 653 CD GLU A 212 -5.796 -0.752 7.274 1.00 0.00 C ATOM 654 OE1 GLU A 212 -4.851 0.015 7.191 1.00 0.00 O ATOM 655 OE2 GLU A 212 -6.135 -1.309 8.305 1.00 0.00 O ATOM 0 H GLU A 212 -8.319 -1.385 4.431 1.00 0.00 H new ATOM 0 HA GLU A 212 -6.273 0.095 2.759 1.00 0.00 H new ATOM 0 HB2 GLU A 212 -5.151 0.199 4.993 1.00 0.00 H new ATOM 0 HB3 GLU A 212 -6.752 0.908 5.067 1.00 0.00 H new ATOM 0 HG2 GLU A 212 -7.673 -0.951 6.220 1.00 0.00 H new ATOM 0 HG3 GLU A 212 -6.425 -2.046 5.661 1.00 0.00 H new ATOM 662 N PHE A 213 -4.459 -1.838 3.208 1.00 0.00 N ATOM 663 CA PHE A 213 -3.684 -3.088 2.955 1.00 0.00 C ATOM 664 C PHE A 213 -2.306 -3.023 3.613 1.00 0.00 C ATOM 665 O PHE A 213 -1.602 -2.039 3.500 1.00 0.00 O ATOM 666 CB PHE A 213 -3.507 -3.146 1.439 1.00 0.00 C ATOM 667 CG PHE A 213 -4.849 -3.220 0.756 1.00 0.00 C ATOM 668 CD1 PHE A 213 -5.535 -2.045 0.431 1.00 0.00 C ATOM 669 CD2 PHE A 213 -5.397 -4.465 0.434 1.00 0.00 C ATOM 670 CE1 PHE A 213 -6.773 -2.116 -0.216 1.00 0.00 C ATOM 671 CE2 PHE A 213 -6.636 -4.536 -0.210 1.00 0.00 C ATOM 672 CZ PHE A 213 -7.323 -3.363 -0.536 1.00 0.00 C ATOM 0 H PHE A 213 -3.905 -0.986 3.296 1.00 0.00 H new ATOM 0 HA PHE A 213 -4.199 -3.959 3.361 1.00 0.00 H new ATOM 0 HB2 PHE A 213 -2.965 -2.265 1.096 1.00 0.00 H new ATOM 0 HB3 PHE A 213 -2.906 -4.015 1.170 1.00 0.00 H new ATOM 0 HD1 PHE A 213 -5.109 -1.084 0.679 1.00 0.00 H new ATOM 0 HD2 PHE A 213 -4.864 -5.371 0.682 1.00 0.00 H new ATOM 0 HE1 PHE A 213 -7.304 -1.210 -0.468 1.00 0.00 H new ATOM 0 HE2 PHE A 213 -7.062 -5.497 -0.456 1.00 0.00 H new ATOM 0 HZ PHE A 213 -8.279 -3.419 -1.035 1.00 0.00 H new ATOM 682 N LEU A 214 -1.893 -4.077 4.264 1.00 0.00 N ATOM 683 CA LEU A 214 -0.536 -4.064 4.874 1.00 0.00 C ATOM 684 C LEU A 214 0.478 -4.178 3.749 1.00 0.00 C ATOM 685 O LEU A 214 0.625 -5.214 3.130 1.00 0.00 O ATOM 686 CB LEU A 214 -0.476 -5.290 5.785 1.00 0.00 C ATOM 687 CG LEU A 214 0.754 -5.232 6.707 1.00 0.00 C ATOM 688 CD1 LEU A 214 1.067 -3.794 7.127 1.00 0.00 C ATOM 689 CD2 LEU A 214 0.470 -6.070 7.953 1.00 0.00 C ATOM 0 H LEU A 214 -2.429 -4.934 4.398 1.00 0.00 H new ATOM 0 HA LEU A 214 -0.326 -3.157 5.442 1.00 0.00 H new ATOM 0 HB2 LEU A 214 -1.383 -5.345 6.386 1.00 0.00 H new ATOM 0 HB3 LEU A 214 -0.439 -6.196 5.180 1.00 0.00 H new ATOM 0 HG LEU A 214 1.616 -5.622 6.166 1.00 0.00 H new ATOM 0 HD11 LEU A 214 1.941 -3.787 7.778 1.00 0.00 H new ATOM 0 HD12 LEU A 214 1.269 -3.192 6.241 1.00 0.00 H new ATOM 0 HD13 LEU A 214 0.213 -3.377 7.662 1.00 0.00 H new ATOM 0 HD21 LEU A 214 1.334 -6.039 8.617 1.00 0.00 H new ATOM 0 HD22 LEU A 214 -0.401 -5.668 8.471 1.00 0.00 H new ATOM 0 HD23 LEU A 214 0.274 -7.102 7.661 1.00 0.00 H new ATOM 701 N ILE A 215 1.147 -3.113 3.445 1.00 0.00 N ATOM 702 CA ILE A 215 2.110 -3.153 2.321 1.00 0.00 C ATOM 703 C ILE A 215 3.528 -3.490 2.779 1.00 0.00 C ATOM 704 O ILE A 215 4.207 -2.678 3.372 1.00 0.00 O ATOM 705 CB ILE A 215 2.083 -1.743 1.753 1.00 0.00 C ATOM 706 CG1 ILE A 215 0.636 -1.271 1.583 1.00 0.00 C ATOM 707 CG2 ILE A 215 2.791 -1.741 0.405 1.00 0.00 C ATOM 708 CD1 ILE A 215 -0.110 -2.218 0.646 1.00 0.00 C ATOM 0 H ILE A 215 1.070 -2.216 3.925 1.00 0.00 H new ATOM 0 HA ILE A 215 1.837 -3.924 1.601 1.00 0.00 H new ATOM 0 HB ILE A 215 2.591 -1.064 2.438 1.00 0.00 H new ATOM 0 HG12 ILE A 215 0.139 -1.237 2.552 1.00 0.00 H new ATOM 0 HG13 ILE A 215 0.619 -0.258 1.180 1.00 0.00 H new ATOM 0 HG21 ILE A 215 2.777 -0.734 -0.012 1.00 0.00 H new ATOM 0 HG22 ILE A 215 3.823 -2.066 0.536 1.00 0.00 H new ATOM 0 HG23 ILE A 215 2.280 -2.422 -0.275 1.00 0.00 H new ATOM 0 HD11 ILE A 215 -1.139 -1.878 0.528 1.00 0.00 H new ATOM 0 HD12 ILE A 215 0.382 -2.230 -0.327 1.00 0.00 H new ATOM 0 HD13 ILE A 215 -0.106 -3.224 1.066 1.00 0.00 H new ATOM 720 N LYS A 216 4.000 -4.665 2.465 1.00 0.00 N ATOM 721 CA LYS A 216 5.398 -5.017 2.837 1.00 0.00 C ATOM 722 C LYS A 216 6.346 -4.275 1.887 1.00 0.00 C ATOM 723 O LYS A 216 6.562 -4.691 0.767 1.00 0.00 O ATOM 724 CB LYS A 216 5.522 -6.531 2.635 1.00 0.00 C ATOM 725 CG LYS A 216 6.974 -6.954 2.862 1.00 0.00 C ATOM 726 CD LYS A 216 7.085 -8.476 2.757 1.00 0.00 C ATOM 727 CE LYS A 216 7.379 -9.066 4.139 1.00 0.00 C ATOM 728 NZ LYS A 216 8.680 -8.464 4.555 1.00 0.00 N ATOM 0 H LYS A 216 3.482 -5.391 1.971 1.00 0.00 H new ATOM 0 HA LYS A 216 5.644 -4.743 3.863 1.00 0.00 H new ATOM 0 HB2 LYS A 216 4.865 -7.057 3.328 1.00 0.00 H new ATOM 0 HB3 LYS A 216 5.205 -6.802 1.628 1.00 0.00 H new ATOM 0 HG2 LYS A 216 7.621 -6.480 2.124 1.00 0.00 H new ATOM 0 HG3 LYS A 216 7.312 -6.621 3.843 1.00 0.00 H new ATOM 0 HD2 LYS A 216 6.158 -8.892 2.363 1.00 0.00 H new ATOM 0 HD3 LYS A 216 7.878 -8.746 2.059 1.00 0.00 H new ATOM 0 HE2 LYS A 216 6.588 -8.821 4.848 1.00 0.00 H new ATOM 0 HE3 LYS A 216 7.444 -10.153 4.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 216 9.268 -9.190 5.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 216 9.175 -8.094 3.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 216 8.505 -7.688 5.225 1.00 0.00 H new ATOM 742 N TRP A 217 6.891 -3.168 2.307 1.00 0.00 N ATOM 743 CA TRP A 217 7.799 -2.406 1.401 1.00 0.00 C ATOM 744 C TRP A 217 9.206 -3.007 1.419 1.00 0.00 C ATOM 745 O TRP A 217 9.569 -3.744 2.315 1.00 0.00 O ATOM 746 CB TRP A 217 7.812 -0.982 1.957 1.00 0.00 C ATOM 747 CG TRP A 217 6.414 -0.450 1.998 1.00 0.00 C ATOM 748 CD1 TRP A 217 5.580 -0.546 3.057 1.00 0.00 C ATOM 749 CD2 TRP A 217 5.673 0.253 0.956 1.00 0.00 C ATOM 750 NE1 TRP A 217 4.382 0.065 2.741 1.00 0.00 N ATOM 751 CE2 TRP A 217 4.385 0.566 1.453 1.00 0.00 C ATOM 752 CE3 TRP A 217 5.989 0.645 -0.358 1.00 0.00 C ATOM 753 CZ2 TRP A 217 3.444 1.246 0.675 1.00 0.00 C ATOM 754 CZ3 TRP A 217 5.044 1.327 -1.144 1.00 0.00 C ATOM 755 CH2 TRP A 217 3.775 1.626 -0.628 1.00 0.00 C ATOM 0 H TRP A 217 6.750 -2.759 3.231 1.00 0.00 H new ATOM 0 HA TRP A 217 7.462 -2.435 0.365 1.00 0.00 H new ATOM 0 HB2 TRP A 217 8.245 -0.975 2.957 1.00 0.00 H new ATOM 0 HB3 TRP A 217 8.438 -0.343 1.334 1.00 0.00 H new ATOM 0 HD1 TRP A 217 5.812 -1.023 3.998 1.00 0.00 H new ATOM 0 HE1 TRP A 217 3.591 0.138 3.381 1.00 0.00 H new ATOM 0 HE3 TRP A 217 6.964 0.420 -0.765 1.00 0.00 H new ATOM 0 HZ2 TRP A 217 2.469 1.476 1.078 1.00 0.00 H new ATOM 0 HZ3 TRP A 217 5.297 1.622 -2.152 1.00 0.00 H new ATOM 0 HH2 TRP A 217 3.054 2.150 -1.238 1.00 0.00 H new ATOM 871 N ASN A 225 7.202 -3.261 6.728 1.00 0.00 N ATOM 872 CA ASN A 225 5.751 -3.429 6.422 1.00 0.00 C ATOM 873 C ASN A 225 4.940 -2.312 7.077 1.00 0.00 C ATOM 874 O ASN A 225 5.268 -1.831 8.144 1.00 0.00 O ATOM 875 CB ASN A 225 5.372 -4.786 7.017 1.00 0.00 C ATOM 876 CG ASN A 225 5.848 -4.858 8.468 1.00 0.00 C ATOM 877 OD1 ASN A 225 5.569 -3.975 9.256 1.00 0.00 O ATOM 878 ND2 ASN A 225 6.558 -5.881 8.860 1.00 0.00 N ATOM 0 HA ASN A 225 5.548 -3.383 5.352 1.00 0.00 H new ATOM 0 HB2 ASN A 225 4.292 -4.927 6.970 1.00 0.00 H new ATOM 0 HB3 ASN A 225 5.824 -5.589 6.435 1.00 0.00 H new ATOM 0 HD21 ASN A 225 6.878 -5.939 9.827 1.00 0.00 H new ATOM 0 HD22 ASN A 225 6.792 -6.622 8.200 1.00 0.00 H new ATOM 885 N THR A 226 3.876 -1.902 6.445 1.00 0.00 N ATOM 886 CA THR A 226 3.031 -0.823 7.018 1.00 0.00 C ATOM 887 C THR A 226 1.625 -0.932 6.438 1.00 0.00 C ATOM 888 O THR A 226 1.404 -1.606 5.452 1.00 0.00 O ATOM 889 CB THR A 226 3.695 0.484 6.581 1.00 0.00 C ATOM 890 OG1 THR A 226 3.960 0.436 5.186 1.00 0.00 O ATOM 891 CG2 THR A 226 5.005 0.673 7.347 1.00 0.00 C ATOM 0 H THR A 226 3.555 -2.272 5.550 1.00 0.00 H new ATOM 0 HA THR A 226 2.948 -0.881 8.103 1.00 0.00 H new ATOM 0 HB THR A 226 3.029 1.320 6.795 1.00 0.00 H new ATOM 0 HG1 THR A 226 4.834 0.020 5.033 1.00 0.00 H new ATOM 0 HG21 THR A 226 5.478 1.604 7.035 1.00 0.00 H new ATOM 0 HG22 THR A 226 4.799 0.711 8.417 1.00 0.00 H new ATOM 0 HG23 THR A 226 5.674 -0.162 7.136 1.00 0.00 H new ATOM 899 N TRP A 227 0.672 -0.286 7.037 1.00 0.00 N ATOM 900 CA TRP A 227 -0.712 -0.371 6.506 1.00 0.00 C ATOM 901 C TRP A 227 -1.047 0.880 5.698 1.00 0.00 C ATOM 902 O TRP A 227 -1.451 1.893 6.235 1.00 0.00 O ATOM 903 CB TRP A 227 -1.594 -0.494 7.745 1.00 0.00 C ATOM 904 CG TRP A 227 -1.555 -1.913 8.202 1.00 0.00 C ATOM 905 CD1 TRP A 227 -0.600 -2.451 8.998 1.00 0.00 C ATOM 906 CD2 TRP A 227 -2.478 -2.991 7.882 1.00 0.00 C ATOM 907 NE1 TRP A 227 -0.887 -3.790 9.194 1.00 0.00 N ATOM 908 CE2 TRP A 227 -2.037 -4.168 8.529 1.00 0.00 C ATOM 909 CE3 TRP A 227 -3.648 -3.057 7.107 1.00 0.00 C ATOM 910 CZ2 TRP A 227 -2.730 -5.371 8.406 1.00 0.00 C ATOM 911 CZ3 TRP A 227 -4.348 -4.267 6.982 1.00 0.00 C ATOM 912 CH2 TRP A 227 -3.888 -5.422 7.632 1.00 0.00 C ATOM 0 H TRP A 227 0.789 0.295 7.867 1.00 0.00 H new ATOM 0 HA TRP A 227 -0.854 -1.213 5.829 1.00 0.00 H new ATOM 0 HB2 TRP A 227 -1.238 0.170 8.533 1.00 0.00 H new ATOM 0 HB3 TRP A 227 -2.617 -0.196 7.515 1.00 0.00 H new ATOM 0 HD1 TRP A 227 0.246 -1.922 9.411 1.00 0.00 H new ATOM 0 HE1 TRP A 227 -0.319 -4.421 9.760 1.00 0.00 H new ATOM 0 HE3 TRP A 227 -4.011 -2.172 6.605 1.00 0.00 H new ATOM 0 HZ2 TRP A 227 -2.372 -6.258 8.907 1.00 0.00 H new ATOM 0 HZ3 TRP A 227 -5.245 -4.309 6.382 1.00 0.00 H new ATOM 0 HH2 TRP A 227 -4.431 -6.350 7.533 1.00 0.00 H new ATOM 923 N GLU A 228 -0.873 0.814 4.407 1.00 0.00 N ATOM 924 CA GLU A 228 -1.172 1.995 3.551 1.00 0.00 C ATOM 925 C GLU A 228 -2.535 1.831 2.881 1.00 0.00 C ATOM 926 O GLU A 228 -3.261 0.892 3.146 1.00 0.00 O ATOM 927 CB GLU A 228 -0.057 2.021 2.503 1.00 0.00 C ATOM 928 CG GLU A 228 1.293 1.757 3.177 1.00 0.00 C ATOM 929 CD GLU A 228 2.241 2.925 2.901 1.00 0.00 C ATOM 930 OE1 GLU A 228 2.015 3.631 1.933 1.00 0.00 O ATOM 931 OE2 GLU A 228 3.180 3.092 3.663 1.00 0.00 O ATOM 0 H GLU A 228 -0.536 -0.009 3.907 1.00 0.00 H new ATOM 0 HA GLU A 228 -1.211 2.920 4.125 1.00 0.00 H new ATOM 0 HB2 GLU A 228 -0.246 1.267 1.739 1.00 0.00 H new ATOM 0 HB3 GLU A 228 -0.040 2.988 2.000 1.00 0.00 H new ATOM 0 HG2 GLU A 228 1.156 1.632 4.251 1.00 0.00 H new ATOM 0 HG3 GLU A 228 1.724 0.829 2.801 1.00 0.00 H new ATOM 938 N THR A 229 -2.885 2.732 2.008 1.00 0.00 N ATOM 939 CA THR A 229 -4.193 2.632 1.312 1.00 0.00 C ATOM 940 C THR A 229 -4.016 3.051 -0.144 1.00 0.00 C ATOM 941 O THR A 229 -3.109 3.787 -0.477 1.00 0.00 O ATOM 942 CB THR A 229 -5.113 3.603 2.048 1.00 0.00 C ATOM 943 OG1 THR A 229 -4.418 4.819 2.291 1.00 0.00 O ATOM 944 CG2 THR A 229 -5.546 2.982 3.375 1.00 0.00 C ATOM 0 H THR A 229 -2.317 3.538 1.746 1.00 0.00 H new ATOM 0 HA THR A 229 -4.601 1.621 1.316 1.00 0.00 H new ATOM 0 HB THR A 229 -5.994 3.807 1.440 1.00 0.00 H new ATOM 0 HG1 THR A 229 -5.008 5.444 2.762 1.00 0.00 H new ATOM 0 HG21 THR A 229 -6.203 3.673 3.903 1.00 0.00 H new ATOM 0 HG22 THR A 229 -6.078 2.050 3.184 1.00 0.00 H new ATOM 0 HG23 THR A 229 -4.666 2.779 3.986 1.00 0.00 H new ATOM 952 N TYR A 230 -4.861 2.588 -1.015 1.00 0.00 N ATOM 953 CA TYR A 230 -4.712 2.965 -2.446 1.00 0.00 C ATOM 954 C TYR A 230 -4.424 4.461 -2.576 1.00 0.00 C ATOM 955 O TYR A 230 -3.635 4.885 -3.398 1.00 0.00 O ATOM 956 CB TYR A 230 -6.058 2.632 -3.094 1.00 0.00 C ATOM 957 CG TYR A 230 -6.076 1.202 -3.577 1.00 0.00 C ATOM 958 CD1 TYR A 230 -5.839 0.154 -2.681 1.00 0.00 C ATOM 959 CD2 TYR A 230 -6.349 0.925 -4.922 1.00 0.00 C ATOM 960 CE1 TYR A 230 -5.872 -1.170 -3.130 1.00 0.00 C ATOM 961 CE2 TYR A 230 -6.379 -0.400 -5.372 1.00 0.00 C ATOM 962 CZ TYR A 230 -6.141 -1.448 -4.476 1.00 0.00 C ATOM 963 OH TYR A 230 -6.176 -2.753 -4.920 1.00 0.00 O ATOM 0 H TYR A 230 -5.644 1.969 -0.803 1.00 0.00 H new ATOM 0 HA TYR A 230 -3.886 2.435 -2.920 1.00 0.00 H new ATOM 0 HB2 TYR A 230 -6.862 2.789 -2.375 1.00 0.00 H new ATOM 0 HB3 TYR A 230 -6.242 3.306 -3.930 1.00 0.00 H new ATOM 0 HD1 TYR A 230 -5.631 0.367 -1.643 1.00 0.00 H new ATOM 0 HD2 TYR A 230 -6.536 1.734 -5.612 1.00 0.00 H new ATOM 0 HE1 TYR A 230 -5.690 -1.979 -2.438 1.00 0.00 H new ATOM 0 HE2 TYR A 230 -6.586 -0.613 -6.410 1.00 0.00 H new ATOM 0 HH TYR A 230 -5.837 -2.795 -5.838 1.00 0.00 H new ATOM 973 N GLU A 231 -5.065 5.264 -1.774 1.00 0.00 N ATOM 974 CA GLU A 231 -4.840 6.736 -1.850 1.00 0.00 C ATOM 975 C GLU A 231 -3.393 7.077 -1.478 1.00 0.00 C ATOM 976 O GLU A 231 -2.956 8.202 -1.619 1.00 0.00 O ATOM 977 CB GLU A 231 -5.811 7.337 -0.834 1.00 0.00 C ATOM 978 CG GLU A 231 -6.580 8.487 -1.483 1.00 0.00 C ATOM 979 CD GLU A 231 -7.838 8.783 -0.666 1.00 0.00 C ATOM 980 OE1 GLU A 231 -7.715 8.940 0.538 1.00 0.00 O ATOM 981 OE2 GLU A 231 -8.904 8.845 -1.256 1.00 0.00 O ATOM 0 H GLU A 231 -5.737 4.965 -1.067 1.00 0.00 H new ATOM 0 HA GLU A 231 -5.006 7.125 -2.855 1.00 0.00 H new ATOM 0 HB2 GLU A 231 -6.505 6.574 -0.483 1.00 0.00 H new ATOM 0 HB3 GLU A 231 -5.265 7.697 0.038 1.00 0.00 H new ATOM 0 HG2 GLU A 231 -5.951 9.375 -1.536 1.00 0.00 H new ATOM 0 HG3 GLU A 231 -6.851 8.226 -2.506 1.00 0.00 H new ATOM 988 N SER A 232 -2.647 6.118 -1.004 1.00 0.00 N ATOM 989 CA SER A 232 -1.231 6.400 -0.627 1.00 0.00 C ATOM 990 C SER A 232 -0.287 5.417 -1.328 1.00 0.00 C ATOM 991 O SER A 232 0.897 5.660 -1.450 1.00 0.00 O ATOM 992 CB SER A 232 -1.176 6.212 0.888 1.00 0.00 C ATOM 993 OG SER A 232 -2.485 6.352 1.424 1.00 0.00 O ATOM 0 H SER A 232 -2.953 5.156 -0.861 1.00 0.00 H new ATOM 0 HA SER A 232 -0.919 7.402 -0.923 1.00 0.00 H new ATOM 0 HB2 SER A 232 -0.774 5.228 1.130 1.00 0.00 H new ATOM 0 HB3 SER A 232 -0.507 6.948 1.334 1.00 0.00 H new ATOM 0 HG SER A 232 -2.857 5.466 1.615 1.00 0.00 H new ATOM 999 N ILE A 233 -0.802 4.312 -1.790 1.00 0.00 N ATOM 1000 CA ILE A 233 0.065 3.315 -2.484 1.00 0.00 C ATOM 1001 C ILE A 233 -0.389 3.175 -3.945 1.00 0.00 C ATOM 1002 O ILE A 233 0.033 2.286 -4.659 1.00 0.00 O ATOM 1003 CB ILE A 233 -0.079 1.984 -1.686 1.00 0.00 C ATOM 1004 CG1 ILE A 233 -0.366 0.805 -2.625 1.00 0.00 C ATOM 1005 CG2 ILE A 233 -1.209 2.068 -0.653 1.00 0.00 C ATOM 1006 CD1 ILE A 233 -0.676 -0.441 -1.792 1.00 0.00 C ATOM 0 H ILE A 233 -1.786 4.055 -1.718 1.00 0.00 H new ATOM 0 HA ILE A 233 1.113 3.615 -2.512 1.00 0.00 H new ATOM 0 HB ILE A 233 0.869 1.824 -1.173 1.00 0.00 H new ATOM 0 HG12 ILE A 233 -1.208 1.040 -3.276 1.00 0.00 H new ATOM 0 HG13 ILE A 233 0.493 0.621 -3.270 1.00 0.00 H new ATOM 0 HG21 ILE A 233 -1.281 1.123 -0.115 1.00 0.00 H new ATOM 0 HG22 ILE A 233 -0.998 2.872 0.052 1.00 0.00 H new ATOM 0 HG23 ILE A 233 -2.152 2.269 -1.161 1.00 0.00 H new ATOM 0 HD11 ILE A 233 -0.881 -1.281 -2.456 1.00 0.00 H new ATOM 0 HD12 ILE A 233 0.180 -0.678 -1.160 1.00 0.00 H new ATOM 0 HD13 ILE A 233 -1.548 -0.253 -1.166 1.00 0.00 H new ATOM 1018 N GLY A 234 -1.242 4.055 -4.394 1.00 0.00 N ATOM 1019 CA GLY A 234 -1.721 3.975 -5.803 1.00 0.00 C ATOM 1020 C GLY A 234 -0.842 4.845 -6.705 1.00 0.00 C ATOM 1021 O GLY A 234 -1.326 5.718 -7.399 1.00 0.00 O ATOM 0 H GLY A 234 -1.627 4.825 -3.847 1.00 0.00 H new ATOM 0 HA2 GLY A 234 -1.697 2.941 -6.146 1.00 0.00 H new ATOM 0 HA3 GLY A 234 -2.758 4.306 -5.863 1.00 0.00 H new ATOM 1025 N GLN A 235 0.443 4.613 -6.709 1.00 0.00 N ATOM 1026 CA GLN A 235 1.340 5.430 -7.577 1.00 0.00 C ATOM 1027 C GLN A 235 2.792 4.957 -7.445 1.00 0.00 C ATOM 1028 O GLN A 235 3.717 5.742 -7.508 1.00 0.00 O ATOM 1029 CB GLN A 235 1.198 6.863 -7.061 1.00 0.00 C ATOM 1030 CG GLN A 235 1.666 6.931 -5.606 1.00 0.00 C ATOM 1031 CD GLN A 235 0.724 7.837 -4.810 1.00 0.00 C ATOM 1032 OE1 GLN A 235 0.008 7.378 -3.943 1.00 0.00 O ATOM 1033 NE2 GLN A 235 0.693 9.115 -5.071 1.00 0.00 N ATOM 0 H GLN A 235 0.909 3.897 -6.152 1.00 0.00 H new ATOM 0 HA GLN A 235 1.075 5.346 -8.631 1.00 0.00 H new ATOM 0 HB2 GLN A 235 1.788 7.542 -7.676 1.00 0.00 H new ATOM 0 HB3 GLN A 235 0.160 7.186 -7.136 1.00 0.00 H new ATOM 0 HG2 GLN A 235 1.681 5.932 -5.171 1.00 0.00 H new ATOM 0 HG3 GLN A 235 2.685 7.315 -5.558 1.00 0.00 H new ATOM 0 HE21 GLN A 235 1.294 9.502 -5.799 1.00 0.00 H new ATOM 0 HE22 GLN A 235 0.068 9.727 -4.547 1.00 0.00 H new ATOM 1042 N VAL A 236 2.998 3.682 -7.266 1.00 0.00 N ATOM 1043 CA VAL A 236 4.393 3.164 -7.133 1.00 0.00 C ATOM 1044 C VAL A 236 4.430 1.675 -7.477 1.00 0.00 C ATOM 1045 O VAL A 236 5.127 0.902 -6.852 1.00 0.00 O ATOM 1046 CB VAL A 236 4.758 3.382 -5.663 1.00 0.00 C ATOM 1047 CG1 VAL A 236 4.907 4.879 -5.389 1.00 0.00 C ATOM 1048 CG2 VAL A 236 3.653 2.811 -4.771 1.00 0.00 C ATOM 0 H VAL A 236 2.264 2.976 -7.206 1.00 0.00 H new ATOM 0 HA VAL A 236 5.089 3.667 -7.804 1.00 0.00 H new ATOM 0 HB VAL A 236 5.699 2.877 -5.446 1.00 0.00 H new ATOM 0 HG11 VAL A 236 5.167 5.033 -4.342 1.00 0.00 H new ATOM 0 HG12 VAL A 236 5.694 5.288 -6.022 1.00 0.00 H new ATOM 0 HG13 VAL A 236 3.966 5.384 -5.607 1.00 0.00 H new ATOM 0 HG21 VAL A 236 3.914 2.967 -3.724 1.00 0.00 H new ATOM 0 HG22 VAL A 236 2.712 3.316 -4.989 1.00 0.00 H new ATOM 0 HG23 VAL A 236 3.545 1.743 -4.963 1.00 0.00 H new ATOM 1058 N ARG A 237 3.670 1.264 -8.460 1.00 0.00 N ATOM 1059 CA ARG A 237 3.643 -0.180 -8.841 1.00 0.00 C ATOM 1060 C ARG A 237 2.908 -0.987 -7.765 1.00 0.00 C ATOM 1061 O ARG A 237 2.748 -2.193 -7.869 1.00 0.00 O ATOM 1062 CB ARG A 237 5.110 -0.606 -8.929 1.00 0.00 C ATOM 1063 CG ARG A 237 5.250 -1.742 -9.944 1.00 0.00 C ATOM 1064 CD ARG A 237 6.733 -2.000 -10.218 1.00 0.00 C ATOM 1065 NE ARG A 237 6.784 -3.385 -10.761 1.00 0.00 N ATOM 1066 CZ ARG A 237 7.726 -4.203 -10.378 1.00 0.00 C ATOM 1067 NH1 ARG A 237 8.113 -4.215 -9.131 1.00 0.00 N ATOM 1068 NH2 ARG A 237 8.279 -5.010 -11.241 1.00 0.00 N ATOM 0 H ARG A 237 3.065 1.868 -9.016 1.00 0.00 H new ATOM 0 HA ARG A 237 3.122 -0.350 -9.783 1.00 0.00 H new ATOM 0 HB2 ARG A 237 5.729 0.241 -9.227 1.00 0.00 H new ATOM 0 HB3 ARG A 237 5.465 -0.932 -7.951 1.00 0.00 H new ATOM 0 HG2 ARG A 237 4.777 -2.646 -9.561 1.00 0.00 H new ATOM 0 HG3 ARG A 237 4.738 -1.482 -10.870 1.00 0.00 H new ATOM 0 HD2 ARG A 237 7.134 -1.280 -10.931 1.00 0.00 H new ATOM 0 HD3 ARG A 237 7.325 -1.910 -9.307 1.00 0.00 H new ATOM 0 HE ARG A 237 6.082 -3.695 -11.433 1.00 0.00 H new ATOM 0 HH11 ARG A 237 7.679 -3.585 -8.456 1.00 0.00 H new ATOM 0 HH12 ARG A 237 8.849 -4.854 -8.832 1.00 0.00 H new ATOM 0 HH21 ARG A 237 7.975 -5.001 -12.215 1.00 0.00 H new ATOM 0 HH22 ARG A 237 9.015 -5.649 -10.942 1.00 0.00 H new ATOM 1082 N GLY A 238 2.450 -0.330 -6.733 1.00 0.00 N ATOM 1083 CA GLY A 238 1.724 -1.048 -5.657 1.00 0.00 C ATOM 1084 C GLY A 238 0.380 -1.513 -6.192 1.00 0.00 C ATOM 1085 O GLY A 238 0.025 -2.659 -6.076 1.00 0.00 O ATOM 0 H GLY A 238 2.550 0.675 -6.593 1.00 0.00 H new ATOM 0 HA2 GLY A 238 2.308 -1.902 -5.313 1.00 0.00 H new ATOM 0 HA3 GLY A 238 1.581 -0.393 -4.798 1.00 0.00 H new ATOM 1089 N LEU A 239 -0.373 -0.636 -6.783 1.00 0.00 N ATOM 1090 CA LEU A 239 -1.694 -1.051 -7.323 1.00 0.00 C ATOM 1091 C LEU A 239 -1.552 -2.342 -8.130 1.00 0.00 C ATOM 1092 O LEU A 239 -2.423 -3.184 -8.116 1.00 0.00 O ATOM 1093 CB LEU A 239 -2.140 0.110 -8.213 1.00 0.00 C ATOM 1094 CG LEU A 239 -2.903 1.128 -7.369 1.00 0.00 C ATOM 1095 CD1 LEU A 239 -2.994 2.456 -8.122 1.00 0.00 C ATOM 1096 CD2 LEU A 239 -4.312 0.603 -7.090 1.00 0.00 C ATOM 0 H LEU A 239 -0.134 0.347 -6.916 1.00 0.00 H new ATOM 0 HA LEU A 239 -2.421 -1.255 -6.537 1.00 0.00 H new ATOM 0 HB2 LEU A 239 -1.274 0.581 -8.677 1.00 0.00 H new ATOM 0 HB3 LEU A 239 -2.773 -0.258 -9.020 1.00 0.00 H new ATOM 0 HG LEU A 239 -2.378 1.283 -6.427 1.00 0.00 H new ATOM 0 HD11 LEU A 239 -3.539 3.181 -7.517 1.00 0.00 H new ATOM 0 HD12 LEU A 239 -1.990 2.831 -8.321 1.00 0.00 H new ATOM 0 HD13 LEU A 239 -3.518 2.304 -9.066 1.00 0.00 H new ATOM 0 HD21 LEU A 239 -4.858 1.329 -6.487 1.00 0.00 H new ATOM 0 HD22 LEU A 239 -4.836 0.447 -8.033 1.00 0.00 H new ATOM 0 HD23 LEU A 239 -4.248 -0.342 -6.550 1.00 0.00 H new ATOM 1108 N LYS A 240 -0.462 -2.515 -8.824 1.00 0.00 N ATOM 1109 CA LYS A 240 -0.286 -3.768 -9.610 1.00 0.00 C ATOM 1110 C LYS A 240 -0.155 -4.954 -8.656 1.00 0.00 C ATOM 1111 O LYS A 240 -0.945 -5.877 -8.688 1.00 0.00 O ATOM 1112 CB LYS A 240 1.002 -3.570 -10.403 1.00 0.00 C ATOM 1113 CG LYS A 240 1.505 -4.921 -10.919 1.00 0.00 C ATOM 1114 CD LYS A 240 0.388 -5.626 -11.691 1.00 0.00 C ATOM 1115 CE LYS A 240 1.002 -6.585 -12.714 1.00 0.00 C ATOM 1116 NZ LYS A 240 -0.144 -7.377 -13.238 1.00 0.00 N ATOM 0 H LYS A 240 0.309 -1.849 -8.881 1.00 0.00 H new ATOM 0 HA LYS A 240 -1.131 -3.971 -10.268 1.00 0.00 H new ATOM 0 HB2 LYS A 240 0.825 -2.894 -11.239 1.00 0.00 H new ATOM 0 HB3 LYS A 240 1.760 -3.106 -9.773 1.00 0.00 H new ATOM 0 HG2 LYS A 240 2.371 -4.775 -11.565 1.00 0.00 H new ATOM 0 HG3 LYS A 240 1.831 -5.542 -10.084 1.00 0.00 H new ATOM 0 HD2 LYS A 240 -0.255 -6.175 -11.002 1.00 0.00 H new ATOM 0 HD3 LYS A 240 -0.239 -4.891 -12.196 1.00 0.00 H new ATOM 0 HE2 LYS A 240 1.503 -6.040 -13.514 1.00 0.00 H new ATOM 0 HE3 LYS A 240 1.749 -7.230 -12.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 240 0.149 -8.366 -13.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 240 -0.932 -7.337 -12.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 240 -0.451 -6.982 -14.150 1.00 0.00 H new ATOM 1130 N ARG A 241 0.826 -4.932 -7.794 1.00 0.00 N ATOM 1131 CA ARG A 241 0.979 -6.061 -6.832 1.00 0.00 C ATOM 1132 C ARG A 241 -0.205 -6.053 -5.862 1.00 0.00 C ATOM 1133 O ARG A 241 -0.669 -7.083 -5.414 1.00 0.00 O ATOM 1134 CB ARG A 241 2.292 -5.788 -6.101 1.00 0.00 C ATOM 1135 CG ARG A 241 3.443 -6.449 -6.863 1.00 0.00 C ATOM 1136 CD ARG A 241 4.345 -7.201 -5.882 1.00 0.00 C ATOM 1137 NE ARG A 241 5.312 -7.941 -6.739 1.00 0.00 N ATOM 1138 CZ ARG A 241 5.032 -9.151 -7.147 1.00 0.00 C ATOM 1139 NH1 ARG A 241 4.872 -10.110 -6.278 1.00 0.00 N ATOM 1140 NH2 ARG A 241 4.912 -9.398 -8.422 1.00 0.00 N ATOM 0 H ARG A 241 1.521 -4.190 -7.714 1.00 0.00 H new ATOM 0 HA ARG A 241 0.996 -7.037 -7.317 1.00 0.00 H new ATOM 0 HB2 ARG A 241 2.462 -4.714 -6.023 1.00 0.00 H new ATOM 0 HB3 ARG A 241 2.243 -6.177 -5.084 1.00 0.00 H new ATOM 0 HG2 ARG A 241 3.049 -7.137 -7.611 1.00 0.00 H new ATOM 0 HG3 ARG A 241 4.020 -5.694 -7.397 1.00 0.00 H new ATOM 0 HD2 ARG A 241 4.859 -6.513 -5.211 1.00 0.00 H new ATOM 0 HD3 ARG A 241 3.768 -7.883 -5.258 1.00 0.00 H new ATOM 0 HE ARG A 241 6.193 -7.504 -7.008 1.00 0.00 H new ATOM 0 HH11 ARG A 241 4.965 -9.916 -5.281 1.00 0.00 H new ATOM 0 HH12 ARG A 241 4.653 -11.054 -6.595 1.00 0.00 H new ATOM 0 HH21 ARG A 241 5.037 -8.647 -9.101 1.00 0.00 H new ATOM 0 HH22 ARG A 241 4.694 -10.342 -8.740 1.00 0.00 H new ATOM 1154 N LEU A 242 -0.709 -4.888 -5.562 1.00 0.00 N ATOM 1155 CA LEU A 242 -1.878 -4.778 -4.653 1.00 0.00 C ATOM 1156 C LEU A 242 -3.105 -5.309 -5.382 1.00 0.00 C ATOM 1157 O LEU A 242 -3.922 -6.014 -4.823 1.00 0.00 O ATOM 1158 CB LEU A 242 -2.014 -3.276 -4.388 1.00 0.00 C ATOM 1159 CG LEU A 242 -2.835 -3.038 -3.119 1.00 0.00 C ATOM 1160 CD1 LEU A 242 -4.086 -3.912 -3.154 1.00 0.00 C ATOM 1161 CD2 LEU A 242 -1.996 -3.391 -1.887 1.00 0.00 C ATOM 0 H LEU A 242 -0.354 -3.999 -5.914 1.00 0.00 H new ATOM 0 HA LEU A 242 -1.770 -5.342 -3.726 1.00 0.00 H new ATOM 0 HB2 LEU A 242 -1.027 -2.827 -4.281 1.00 0.00 H new ATOM 0 HB3 LEU A 242 -2.495 -2.791 -5.238 1.00 0.00 H new ATOM 0 HG LEU A 242 -3.125 -1.989 -3.066 1.00 0.00 H new ATOM 0 HD11 LEU A 242 -4.673 -3.744 -2.251 1.00 0.00 H new ATOM 0 HD12 LEU A 242 -4.685 -3.656 -4.028 1.00 0.00 H new ATOM 0 HD13 LEU A 242 -3.795 -4.961 -3.208 1.00 0.00 H new ATOM 0 HD21 LEU A 242 -2.584 -3.220 -0.985 1.00 0.00 H new ATOM 0 HD22 LEU A 242 -1.702 -4.439 -1.935 1.00 0.00 H new ATOM 0 HD23 LEU A 242 -1.104 -2.765 -1.863 1.00 0.00 H new ATOM 1173 N ASP A 243 -3.221 -4.992 -6.641 1.00 0.00 N ATOM 1174 CA ASP A 243 -4.381 -5.498 -7.427 1.00 0.00 C ATOM 1175 C ASP A 243 -4.352 -7.023 -7.408 1.00 0.00 C ATOM 1176 O ASP A 243 -5.354 -7.673 -7.185 1.00 0.00 O ATOM 1177 CB ASP A 243 -4.173 -4.973 -8.849 1.00 0.00 C ATOM 1178 CG ASP A 243 -4.802 -3.585 -8.979 1.00 0.00 C ATOM 1179 OD1 ASP A 243 -5.239 -3.058 -7.969 1.00 0.00 O ATOM 1180 OD2 ASP A 243 -4.837 -3.073 -10.085 1.00 0.00 O ATOM 0 H ASP A 243 -2.565 -4.407 -7.159 1.00 0.00 H new ATOM 0 HA ASP A 243 -5.341 -5.172 -7.027 1.00 0.00 H new ATOM 0 HB2 ASP A 243 -3.108 -4.924 -9.078 1.00 0.00 H new ATOM 0 HB3 ASP A 243 -4.623 -5.656 -9.569 1.00 0.00 H new ATOM 1185 N ASN A 244 -3.200 -7.597 -7.624 1.00 0.00 N ATOM 1186 CA ASN A 244 -3.098 -9.082 -7.598 1.00 0.00 C ATOM 1187 C ASN A 244 -3.382 -9.585 -6.181 1.00 0.00 C ATOM 1188 O ASN A 244 -3.791 -10.711 -5.982 1.00 0.00 O ATOM 1189 CB ASN A 244 -1.659 -9.394 -8.008 1.00 0.00 C ATOM 1190 CG ASN A 244 -1.380 -8.801 -9.390 1.00 0.00 C ATOM 1191 OD1 ASN A 244 -2.256 -8.224 -10.004 1.00 0.00 O ATOM 1192 ND2 ASN A 244 -0.190 -8.920 -9.912 1.00 0.00 N ATOM 0 H ASN A 244 -2.328 -7.103 -7.817 1.00 0.00 H new ATOM 0 HA ASN A 244 -3.813 -9.565 -8.264 1.00 0.00 H new ATOM 0 HB2 ASN A 244 -0.964 -8.981 -7.277 1.00 0.00 H new ATOM 0 HB3 ASN A 244 -1.501 -10.472 -8.025 1.00 0.00 H new ATOM 0 HD21 ASN A 244 0.004 -8.529 -10.834 1.00 0.00 H new ATOM 0 HD22 ASN A 244 0.546 -9.404 -9.398 1.00 0.00 H new ATOM 1199 N TYR A 245 -3.187 -8.751 -5.193 1.00 0.00 N ATOM 1200 CA TYR A 245 -3.470 -9.182 -3.802 1.00 0.00 C ATOM 1201 C TYR A 245 -4.979 -9.153 -3.581 1.00 0.00 C ATOM 1202 O TYR A 245 -5.538 -9.983 -2.893 1.00 0.00 O ATOM 1203 CB TYR A 245 -2.775 -8.156 -2.909 1.00 0.00 C ATOM 1204 CG TYR A 245 -3.247 -8.334 -1.489 1.00 0.00 C ATOM 1205 CD1 TYR A 245 -2.643 -9.293 -0.669 1.00 0.00 C ATOM 1206 CD2 TYR A 245 -4.292 -7.545 -0.993 1.00 0.00 C ATOM 1207 CE1 TYR A 245 -3.081 -9.463 0.648 1.00 0.00 C ATOM 1208 CE2 TYR A 245 -4.730 -7.715 0.326 1.00 0.00 C ATOM 1209 CZ TYR A 245 -4.124 -8.674 1.146 1.00 0.00 C ATOM 1210 OH TYR A 245 -4.550 -8.844 2.446 1.00 0.00 O ATOM 0 H TYR A 245 -2.845 -7.795 -5.293 1.00 0.00 H new ATOM 0 HA TYR A 245 -3.117 -10.191 -3.588 1.00 0.00 H new ATOM 0 HB2 TYR A 245 -1.694 -8.282 -2.964 1.00 0.00 H new ATOM 0 HB3 TYR A 245 -2.996 -7.146 -3.255 1.00 0.00 H new ATOM 0 HD1 TYR A 245 -1.838 -9.902 -1.053 1.00 0.00 H new ATOM 0 HD2 TYR A 245 -4.760 -6.806 -1.627 1.00 0.00 H new ATOM 0 HE1 TYR A 245 -2.614 -10.203 1.281 1.00 0.00 H new ATOM 0 HE2 TYR A 245 -5.535 -7.106 0.711 1.00 0.00 H new ATOM 0 HH TYR A 245 -5.506 -8.638 2.506 1.00 0.00 H new ATOM 1220 N CYS A 246 -5.645 -8.207 -4.182 1.00 0.00 N ATOM 1221 CA CYS A 246 -7.118 -8.124 -4.030 1.00 0.00 C ATOM 1222 C CYS A 246 -7.760 -9.290 -4.773 1.00 0.00 C ATOM 1223 O CYS A 246 -8.771 -9.824 -4.365 1.00 0.00 O ATOM 1224 CB CYS A 246 -7.516 -6.797 -4.671 1.00 0.00 C ATOM 1225 SG CYS A 246 -7.318 -5.461 -3.467 1.00 0.00 S ATOM 0 H CYS A 246 -5.229 -7.487 -4.773 1.00 0.00 H new ATOM 0 HA CYS A 246 -7.439 -8.174 -2.989 1.00 0.00 H new ATOM 0 HB2 CYS A 246 -6.898 -6.605 -5.548 1.00 0.00 H new ATOM 0 HB3 CYS A 246 -8.550 -6.842 -5.013 1.00 0.00 H new ATOM 0 HG CYS A 246 -6.863 -4.401 -4.066 1.00 0.00 H new ATOM 1231 N LYS A 247 -7.169 -9.696 -5.864 1.00 0.00 N ATOM 1232 CA LYS A 247 -7.735 -10.835 -6.630 1.00 0.00 C ATOM 1233 C LYS A 247 -7.305 -12.146 -5.974 1.00 0.00 C ATOM 1234 O LYS A 247 -7.924 -13.175 -6.145 1.00 0.00 O ATOM 1235 CB LYS A 247 -7.163 -10.689 -8.052 1.00 0.00 C ATOM 1236 CG LYS A 247 -5.790 -11.366 -8.161 1.00 0.00 C ATOM 1237 CD LYS A 247 -5.395 -11.475 -9.635 1.00 0.00 C ATOM 1238 CE LYS A 247 -4.262 -12.492 -9.785 1.00 0.00 C ATOM 1239 NZ LYS A 247 -3.429 -11.978 -10.907 1.00 0.00 N ATOM 0 H LYS A 247 -6.320 -9.287 -6.255 1.00 0.00 H new ATOM 0 HA LYS A 247 -8.825 -10.839 -6.653 1.00 0.00 H new ATOM 0 HB2 LYS A 247 -7.850 -11.133 -8.772 1.00 0.00 H new ATOM 0 HB3 LYS A 247 -7.074 -9.633 -8.306 1.00 0.00 H new ATOM 0 HG2 LYS A 247 -5.043 -10.790 -7.614 1.00 0.00 H new ATOM 0 HG3 LYS A 247 -5.823 -12.357 -7.707 1.00 0.00 H new ATOM 0 HD2 LYS A 247 -6.254 -11.781 -10.231 1.00 0.00 H new ATOM 0 HD3 LYS A 247 -5.077 -10.502 -10.010 1.00 0.00 H new ATOM 0 HE2 LYS A 247 -3.680 -12.573 -8.867 1.00 0.00 H new ATOM 0 HE3 LYS A 247 -4.651 -13.486 -10.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 247 -2.630 -12.623 -11.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 247 -4.007 -11.918 -11.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 247 -3.067 -11.033 -10.666 1.00 0.00 H new ATOM 1253 N GLN A 248 -6.251 -12.107 -5.211 1.00 0.00 N ATOM 1254 CA GLN A 248 -5.784 -13.339 -4.526 1.00 0.00 C ATOM 1255 C GLN A 248 -6.307 -13.350 -3.089 1.00 0.00 C ATOM 1256 O GLN A 248 -6.158 -14.318 -2.371 1.00 0.00 O ATOM 1257 CB GLN A 248 -4.257 -13.252 -4.547 1.00 0.00 C ATOM 1258 CG GLN A 248 -3.663 -14.660 -4.460 1.00 0.00 C ATOM 1259 CD GLN A 248 -2.255 -14.658 -5.057 1.00 0.00 C ATOM 1260 OE1 GLN A 248 -2.084 -14.428 -6.238 1.00 0.00 O ATOM 1261 NE2 GLN A 248 -1.232 -14.908 -4.285 1.00 0.00 N ATOM 0 H GLN A 248 -5.692 -11.273 -5.032 1.00 0.00 H new ATOM 0 HA GLN A 248 -6.138 -14.250 -5.008 1.00 0.00 H new ATOM 0 HB2 GLN A 248 -3.923 -12.761 -5.461 1.00 0.00 H new ATOM 0 HB3 GLN A 248 -3.905 -12.645 -3.712 1.00 0.00 H new ATOM 0 HG2 GLN A 248 -3.628 -14.988 -3.421 1.00 0.00 H new ATOM 0 HG3 GLN A 248 -4.296 -15.367 -4.997 1.00 0.00 H new ATOM 0 HE21 GLN A 248 -1.376 -15.101 -3.294 1.00 0.00 H new ATOM 0 HE22 GLN A 248 -0.289 -14.910 -4.673 1.00 0.00 H new ATOM 1270 N PHE A 249 -6.916 -12.274 -2.661 1.00 0.00 N ATOM 1271 CA PHE A 249 -7.438 -12.227 -1.266 1.00 0.00 C ATOM 1272 C PHE A 249 -8.810 -11.538 -1.196 1.00 0.00 C ATOM 1273 O PHE A 249 -9.474 -11.593 -0.181 1.00 0.00 O ATOM 1274 CB PHE A 249 -6.403 -11.417 -0.482 1.00 0.00 C ATOM 1275 CG PHE A 249 -5.110 -12.195 -0.393 1.00 0.00 C ATOM 1276 CD1 PHE A 249 -5.031 -13.330 0.422 1.00 0.00 C ATOM 1277 CD2 PHE A 249 -3.992 -11.780 -1.126 1.00 0.00 C ATOM 1278 CE1 PHE A 249 -3.833 -14.050 0.503 1.00 0.00 C ATOM 1279 CE2 PHE A 249 -2.795 -12.501 -1.045 1.00 0.00 C ATOM 1280 CZ PHE A 249 -2.716 -13.636 -0.230 1.00 0.00 C ATOM 0 H PHE A 249 -7.073 -11.432 -3.215 1.00 0.00 H new ATOM 0 HA PHE A 249 -7.580 -13.230 -0.865 1.00 0.00 H new ATOM 0 HB2 PHE A 249 -6.229 -10.459 -0.972 1.00 0.00 H new ATOM 0 HB3 PHE A 249 -6.778 -11.200 0.518 1.00 0.00 H new ATOM 0 HD1 PHE A 249 -5.893 -13.650 0.988 1.00 0.00 H new ATOM 0 HD2 PHE A 249 -4.053 -10.904 -1.754 1.00 0.00 H new ATOM 0 HE1 PHE A 249 -3.771 -14.926 1.132 1.00 0.00 H new ATOM 0 HE2 PHE A 249 -1.933 -12.182 -1.611 1.00 0.00 H new ATOM 0 HZ PHE A 249 -1.792 -14.192 -0.167 1.00 0.00 H new ATOM 1290 N ILE A 250 -9.250 -10.877 -2.241 1.00 0.00 N ATOM 1291 CA ILE A 250 -10.580 -10.198 -2.151 1.00 0.00 C ATOM 1292 C ILE A 250 -11.476 -10.535 -3.352 1.00 0.00 C ATOM 1293 O ILE A 250 -12.618 -10.127 -3.405 1.00 0.00 O ATOM 1294 CB ILE A 250 -10.251 -8.700 -2.098 1.00 0.00 C ATOM 1295 CG1 ILE A 250 -9.979 -8.302 -0.649 1.00 0.00 C ATOM 1296 CG2 ILE A 250 -11.429 -7.876 -2.621 1.00 0.00 C ATOM 1297 CD1 ILE A 250 -8.571 -7.711 -0.535 1.00 0.00 C ATOM 0 H ILE A 250 -8.760 -10.780 -3.130 1.00 0.00 H new ATOM 0 HA ILE A 250 -11.143 -10.526 -1.277 1.00 0.00 H new ATOM 0 HB ILE A 250 -9.376 -8.508 -2.719 1.00 0.00 H new ATOM 0 HG12 ILE A 250 -10.718 -7.573 -0.316 1.00 0.00 H new ATOM 0 HG13 ILE A 250 -10.073 -9.171 0.002 1.00 0.00 H new ATOM 0 HG21 ILE A 250 -11.180 -6.816 -2.577 1.00 0.00 H new ATOM 0 HG22 ILE A 250 -11.639 -8.156 -3.653 1.00 0.00 H new ATOM 0 HG23 ILE A 250 -12.309 -8.068 -2.006 1.00 0.00 H new ATOM 0 HD11 ILE A 250 -8.378 -7.427 0.500 1.00 0.00 H new ATOM 0 HD12 ILE A 250 -7.838 -8.454 -0.850 1.00 0.00 H new ATOM 0 HD13 ILE A 250 -8.493 -6.831 -1.173 1.00 0.00 H new ATOM 1309 N ILE A 251 -10.989 -11.267 -4.313 1.00 0.00 N ATOM 1310 CA ILE A 251 -11.860 -11.598 -5.482 1.00 0.00 C ATOM 1311 C ILE A 251 -11.548 -12.998 -6.016 1.00 0.00 C ATOM 1312 O ILE A 251 -12.421 -13.700 -6.485 1.00 0.00 O ATOM 1313 CB ILE A 251 -11.543 -10.536 -6.533 1.00 0.00 C ATOM 1314 CG1 ILE A 251 -11.420 -9.166 -5.861 1.00 0.00 C ATOM 1315 CG2 ILE A 251 -12.670 -10.490 -7.568 1.00 0.00 C ATOM 1316 CD1 ILE A 251 -11.103 -8.109 -6.917 1.00 0.00 C ATOM 0 H ILE A 251 -10.043 -11.647 -4.344 1.00 0.00 H new ATOM 0 HA ILE A 251 -12.916 -11.600 -5.211 1.00 0.00 H new ATOM 0 HB ILE A 251 -10.603 -10.786 -7.024 1.00 0.00 H new ATOM 0 HG12 ILE A 251 -12.348 -8.916 -5.348 1.00 0.00 H new ATOM 0 HG13 ILE A 251 -10.634 -9.188 -5.106 1.00 0.00 H new ATOM 0 HG21 ILE A 251 -12.444 -9.732 -8.318 1.00 0.00 H new ATOM 0 HG22 ILE A 251 -12.761 -11.463 -8.051 1.00 0.00 H new ATOM 0 HG23 ILE A 251 -13.609 -10.242 -7.073 1.00 0.00 H new ATOM 0 HD11 ILE A 251 -11.015 -7.133 -6.440 1.00 0.00 H new ATOM 0 HD12 ILE A 251 -10.163 -8.358 -7.410 1.00 0.00 H new ATOM 0 HD13 ILE A 251 -11.904 -8.081 -7.656 1.00 0.00 H new