USER MOD reduce.3.24.130724 H: found=0, std=0, add=372, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 374 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 230 TYR OH : rot -44:sc= -2.19! USER MOD Set 1.2: A 246 CYS SG : rot 21:sc= -5.73! USER MOD Set 2.1: A 184 ASN :FLIP amide:sc= -0.0817 F(o=-13,f=-13) USER MOD Set 2.2: A 185 HIS : no HD1:sc= -7.6! C(o=-13!,f=-28!) USER MOD Set 2.3: A 245 TYR OH : rot -147:sc= -5! USER MOD Single : A 210 ASN : amide:sc= -0.117 K(o=-0.12,f=-1.6!) 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= -2.4! C(o=-2.4!,f=-4.9!) USER MOD Single : A 226 THR OG1 : rot -91:sc= -2.16! USER MOD Single : A 229 THR OG1 : rot 180:sc= 0 USER MOD Single : A 232 SER OG : rot 156:sc= -1.13 USER MOD Single : A 235 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 240 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 244 ASN : amide:sc= -2! C(o=-2!,f=-3.6!) USER MOD Single : A 247 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 248 GLN : amide:sc= -0.0845 X(o=-0.084,f=-0.52) USER MOD ----------------------------------------------------------------- ATOM 105 N ILE A 179 5.777 -1.021 -4.123 1.00 0.00 N ATOM 106 CA ILE A 179 5.177 -2.068 -3.248 1.00 0.00 C ATOM 107 C ILE A 179 5.907 -3.401 -3.451 1.00 0.00 C ATOM 108 O ILE A 179 6.024 -3.888 -4.558 1.00 0.00 O ATOM 109 CB ILE A 179 3.697 -2.147 -3.683 1.00 0.00 C ATOM 110 CG1 ILE A 179 2.810 -2.132 -2.443 1.00 0.00 C ATOM 111 CG2 ILE A 179 3.408 -3.431 -4.472 1.00 0.00 C ATOM 112 CD1 ILE A 179 1.342 -2.216 -2.865 1.00 0.00 C ATOM 0 HA ILE A 179 5.261 -1.837 -2.186 1.00 0.00 H new ATOM 0 HB ILE A 179 3.489 -1.290 -4.324 1.00 0.00 H new ATOM 0 HG12 ILE A 179 3.061 -2.970 -1.793 1.00 0.00 H new ATOM 0 HG13 ILE A 179 2.983 -1.221 -1.870 1.00 0.00 H new ATOM 0 HG21 ILE A 179 2.357 -3.452 -4.761 1.00 0.00 H new ATOM 0 HG22 ILE A 179 4.031 -3.457 -5.366 1.00 0.00 H new ATOM 0 HG23 ILE A 179 3.630 -4.298 -3.850 1.00 0.00 H new ATOM 0 HD11 ILE A 179 0.707 -2.205 -1.979 1.00 0.00 H new ATOM 0 HD12 ILE A 179 1.096 -1.363 -3.498 1.00 0.00 H new ATOM 0 HD13 ILE A 179 1.175 -3.139 -3.420 1.00 0.00 H new ATOM 124 N ASP A 180 6.387 -4.002 -2.397 1.00 0.00 N ATOM 125 CA ASP A 180 7.086 -5.303 -2.558 1.00 0.00 C ATOM 126 C ASP A 180 6.080 -6.441 -2.430 1.00 0.00 C ATOM 127 O ASP A 180 6.051 -7.349 -3.236 1.00 0.00 O ATOM 128 CB ASP A 180 8.113 -5.361 -1.426 1.00 0.00 C ATOM 129 CG ASP A 180 9.326 -6.174 -1.880 1.00 0.00 C ATOM 130 OD1 ASP A 180 9.870 -5.858 -2.926 1.00 0.00 O ATOM 131 OD2 ASP A 180 9.693 -7.098 -1.174 1.00 0.00 O ATOM 0 H ASP A 180 6.325 -3.651 -1.441 1.00 0.00 H new ATOM 0 HA ASP A 180 7.566 -5.398 -3.532 1.00 0.00 H new ATOM 0 HB2 ASP A 180 8.421 -4.353 -1.148 1.00 0.00 H new ATOM 0 HB3 ASP A 180 7.669 -5.815 -0.540 1.00 0.00 H new ATOM 136 N ILE A 181 5.252 -6.401 -1.421 1.00 0.00 N ATOM 137 CA ILE A 181 4.257 -7.494 -1.246 1.00 0.00 C ATOM 138 C ILE A 181 3.093 -7.052 -0.350 1.00 0.00 C ATOM 139 O ILE A 181 3.287 -6.456 0.692 1.00 0.00 O ATOM 140 CB ILE A 181 5.042 -8.599 -0.547 1.00 0.00 C ATOM 141 CG1 ILE A 181 5.992 -9.278 -1.535 1.00 0.00 C ATOM 142 CG2 ILE A 181 4.074 -9.639 0.023 1.00 0.00 C ATOM 143 CD1 ILE A 181 6.579 -10.528 -0.883 1.00 0.00 C ATOM 0 H ILE A 181 5.222 -5.664 -0.716 1.00 0.00 H new ATOM 0 HA ILE A 181 3.821 -7.800 -2.197 1.00 0.00 H new ATOM 0 HB ILE A 181 5.624 -8.158 0.262 1.00 0.00 H new ATOM 0 HG12 ILE A 181 5.458 -9.545 -2.447 1.00 0.00 H new ATOM 0 HG13 ILE A 181 6.790 -8.593 -1.821 1.00 0.00 H new ATOM 0 HG21 ILE A 181 4.639 -10.427 0.522 1.00 0.00 H new ATOM 0 HG22 ILE A 181 3.407 -9.161 0.740 1.00 0.00 H new ATOM 0 HG23 ILE A 181 3.486 -10.071 -0.787 1.00 0.00 H new ATOM 0 HD11 ILE A 181 7.258 -11.018 -1.581 1.00 0.00 H new ATOM 0 HD12 ILE A 181 7.126 -10.246 0.017 1.00 0.00 H new ATOM 0 HD13 ILE A 181 5.773 -11.213 -0.619 1.00 0.00 H new ATOM 155 N VAL A 182 1.890 -7.381 -0.731 1.00 0.00 N ATOM 156 CA VAL A 182 0.713 -7.031 0.112 1.00 0.00 C ATOM 157 C VAL A 182 0.544 -8.124 1.171 1.00 0.00 C ATOM 158 O VAL A 182 -0.069 -9.146 0.935 1.00 0.00 O ATOM 159 CB VAL A 182 -0.475 -7.007 -0.852 1.00 0.00 C ATOM 160 CG1 VAL A 182 -1.664 -6.317 -0.181 1.00 0.00 C ATOM 161 CG2 VAL A 182 -0.083 -6.237 -2.114 1.00 0.00 C ATOM 0 H VAL A 182 1.671 -7.879 -1.594 1.00 0.00 H new ATOM 0 HA VAL A 182 0.812 -6.076 0.628 1.00 0.00 H new ATOM 0 HB VAL A 182 -0.753 -8.027 -1.117 1.00 0.00 H new ATOM 0 HG11 VAL A 182 -2.510 -6.300 -0.868 1.00 0.00 H new ATOM 0 HG12 VAL A 182 -1.940 -6.863 0.721 1.00 0.00 H new ATOM 0 HG13 VAL A 182 -1.390 -5.295 0.083 1.00 0.00 H new ATOM 0 HG21 VAL A 182 -0.926 -6.217 -2.805 1.00 0.00 H new ATOM 0 HG22 VAL A 182 0.192 -5.217 -1.847 1.00 0.00 H new ATOM 0 HG23 VAL A 182 0.765 -6.728 -2.591 1.00 0.00 H new ATOM 171 N ILE A 183 1.120 -7.927 2.322 1.00 0.00 N ATOM 172 CA ILE A 183 1.043 -8.962 3.397 1.00 0.00 C ATOM 173 C ILE A 183 -0.407 -9.282 3.767 1.00 0.00 C ATOM 174 O ILE A 183 -0.738 -10.404 4.095 1.00 0.00 O ATOM 175 CB ILE A 183 1.774 -8.341 4.586 1.00 0.00 C ATOM 176 CG1 ILE A 183 3.217 -8.038 4.190 1.00 0.00 C ATOM 177 CG2 ILE A 183 1.771 -9.318 5.760 1.00 0.00 C ATOM 178 CD1 ILE A 183 3.951 -9.345 3.886 1.00 0.00 C ATOM 0 H ILE A 183 1.645 -7.088 2.569 1.00 0.00 H new ATOM 0 HA ILE A 183 1.486 -9.906 3.078 1.00 0.00 H new ATOM 0 HB ILE A 183 1.269 -7.420 4.878 1.00 0.00 H new ATOM 0 HG12 ILE A 183 3.236 -7.387 3.316 1.00 0.00 H new ATOM 0 HG13 ILE A 183 3.722 -7.505 4.996 1.00 0.00 H new ATOM 0 HG21 ILE A 183 2.293 -8.872 6.606 1.00 0.00 H new ATOM 0 HG22 ILE A 183 0.743 -9.541 6.045 1.00 0.00 H new ATOM 0 HG23 ILE A 183 2.275 -10.239 5.468 1.00 0.00 H new ATOM 0 HD11 ILE A 183 4.981 -9.127 3.603 1.00 0.00 H new ATOM 0 HD12 ILE A 183 3.945 -9.980 4.772 1.00 0.00 H new ATOM 0 HD13 ILE A 183 3.451 -9.861 3.066 1.00 0.00 H new ATOM 190 N ASN A 184 -1.270 -8.310 3.729 1.00 0.00 N ATOM 191 CA ASN A 184 -2.691 -8.572 4.092 1.00 0.00 C ATOM 192 C ASN A 184 -3.517 -7.296 3.925 1.00 0.00 C ATOM 193 O ASN A 184 -3.058 -6.320 3.365 1.00 0.00 O ATOM 194 CB ASN A 184 -2.649 -8.999 5.559 1.00 0.00 C ATOM 195 CG ASN A 184 -3.358 -10.345 5.720 1.00 0.00 C ATOM 196 OD1 ASN A 184 -4.449 -10.578 5.045 1.00 0.00 O flip ATOM 197 ND2 ASN A 184 -2.913 -11.194 6.468 1.00 0.00 N flip ATOM 0 H ASN A 184 -1.057 -7.348 3.464 1.00 0.00 H new ATOM 0 HA ASN A 184 -3.150 -9.333 3.460 1.00 0.00 H new ATOM 0 HB2 ASN A 184 -1.615 -9.078 5.896 1.00 0.00 H new ATOM 0 HB3 ASN A 184 -3.131 -8.245 6.182 1.00 0.00 H new ATOM 0 HD21 ASN A 184 -2.060 -11.012 6.996 1.00 0.00 H new ATOM 0 HD22 ASN A 184 -3.393 -12.088 6.567 1.00 0.00 H new ATOM 204 N HIS A 185 -4.728 -7.289 4.409 1.00 0.00 N ATOM 205 CA HIS A 185 -5.566 -6.065 4.272 1.00 0.00 C ATOM 206 C HIS A 185 -6.818 -6.162 5.157 1.00 0.00 C ATOM 207 O HIS A 185 -7.101 -7.190 5.741 1.00 0.00 O ATOM 208 CB HIS A 185 -5.947 -6.011 2.788 1.00 0.00 C ATOM 209 CG HIS A 185 -7.102 -6.938 2.514 1.00 0.00 C ATOM 210 ND1 HIS A 185 -6.920 -8.276 2.208 1.00 0.00 N ATOM 211 CD2 HIS A 185 -8.459 -6.730 2.499 1.00 0.00 C ATOM 212 CE1 HIS A 185 -8.137 -8.818 2.021 1.00 0.00 C ATOM 213 NE2 HIS A 185 -9.111 -7.919 2.187 1.00 0.00 N ATOM 0 H HIS A 185 -5.171 -8.072 4.890 1.00 0.00 H new ATOM 0 HA HIS A 185 -5.036 -5.167 4.589 1.00 0.00 H new ATOM 0 HB2 HIS A 185 -6.216 -4.992 2.511 1.00 0.00 H new ATOM 0 HB3 HIS A 185 -5.091 -6.293 2.175 1.00 0.00 H new ATOM 0 HD2 HIS A 185 -8.946 -5.787 2.699 1.00 0.00 H new ATOM 0 HE1 HIS A 185 -8.306 -9.854 1.767 1.00 0.00 H new ATOM 0 HE2 HIS A 185 -10.116 -8.071 2.103 1.00 0.00 H new ATOM 221 N ARG A 186 -7.571 -5.099 5.252 1.00 0.00 N ATOM 222 CA ARG A 186 -8.809 -5.124 6.086 1.00 0.00 C ATOM 223 C ARG A 186 -9.498 -3.755 6.046 1.00 0.00 C ATOM 224 O ARG A 186 -8.960 -2.792 5.535 1.00 0.00 O ATOM 225 CB ARG A 186 -8.348 -5.456 7.508 1.00 0.00 C ATOM 226 CG ARG A 186 -7.045 -4.719 7.822 1.00 0.00 C ATOM 227 CD ARG A 186 -7.190 -3.967 9.146 1.00 0.00 C ATOM 228 NE ARG A 186 -6.004 -3.067 9.207 1.00 0.00 N ATOM 229 CZ ARG A 186 -5.654 -2.516 10.338 1.00 0.00 C ATOM 230 NH1 ARG A 186 -5.872 -3.135 11.467 1.00 0.00 N ATOM 231 NH2 ARG A 186 -5.081 -1.343 10.341 1.00 0.00 N ATOM 0 H ARG A 186 -7.382 -4.211 4.787 1.00 0.00 H new ATOM 0 HA ARG A 186 -9.529 -5.857 5.722 1.00 0.00 H new ATOM 0 HB2 ARG A 186 -9.118 -5.171 8.225 1.00 0.00 H new ATOM 0 HB3 ARG A 186 -8.201 -6.531 7.609 1.00 0.00 H new ATOM 0 HG2 ARG A 186 -6.219 -5.428 7.883 1.00 0.00 H new ATOM 0 HG3 ARG A 186 -6.807 -4.021 7.019 1.00 0.00 H new ATOM 0 HD2 ARG A 186 -8.119 -3.399 9.178 1.00 0.00 H new ATOM 0 HD3 ARG A 186 -7.208 -4.655 9.991 1.00 0.00 H new ATOM 0 HE ARG A 186 -5.464 -2.881 8.362 1.00 0.00 H new ATOM 0 HH11 ARG A 186 -6.317 -4.053 11.468 1.00 0.00 H new ATOM 0 HH12 ARG A 186 -5.597 -2.701 12.348 1.00 0.00 H new ATOM 0 HH21 ARG A 186 -4.907 -0.858 9.461 1.00 0.00 H new ATOM 0 HH22 ARG A 186 -4.807 -0.911 11.224 1.00 0.00 H new ATOM 612 N ASN A 210 -13.074 1.474 0.503 1.00 0.00 N ATOM 613 CA ASN A 210 -13.132 1.441 1.993 1.00 0.00 C ATOM 614 C ASN A 210 -12.353 0.242 2.535 1.00 0.00 C ATOM 615 O ASN A 210 -12.909 -0.655 3.136 1.00 0.00 O ATOM 616 CB ASN A 210 -14.619 1.314 2.329 1.00 0.00 C ATOM 617 CG ASN A 210 -15.239 2.709 2.433 1.00 0.00 C ATOM 618 OD1 ASN A 210 -14.592 3.645 2.861 1.00 0.00 O ATOM 619 ND2 ASN A 210 -16.476 2.889 2.056 1.00 0.00 N ATOM 0 HA ASN A 210 -12.686 2.330 2.440 1.00 0.00 H new ATOM 0 HB2 ASN A 210 -15.129 0.734 1.559 1.00 0.00 H new ATOM 0 HB3 ASN A 210 -14.746 0.777 3.269 1.00 0.00 H new ATOM 0 HD21 ASN A 210 -16.899 3.815 2.121 1.00 0.00 H new ATOM 0 HD22 ASN A 210 -17.019 2.104 1.697 1.00 0.00 H new ATOM 626 N TYR A 211 -11.065 0.216 2.324 1.00 0.00 N ATOM 627 CA TYR A 211 -10.254 -0.929 2.826 1.00 0.00 C ATOM 628 C TYR A 211 -8.774 -0.555 2.919 1.00 0.00 C ATOM 629 O TYR A 211 -8.256 0.188 2.110 1.00 0.00 O ATOM 630 CB TYR A 211 -10.439 -2.024 1.785 1.00 0.00 C ATOM 631 CG TYR A 211 -11.305 -3.125 2.345 1.00 0.00 C ATOM 632 CD1 TYR A 211 -10.735 -4.125 3.140 1.00 0.00 C ATOM 633 CD2 TYR A 211 -12.677 -3.152 2.066 1.00 0.00 C ATOM 634 CE1 TYR A 211 -11.534 -5.151 3.658 1.00 0.00 C ATOM 635 CE2 TYR A 211 -13.477 -4.178 2.583 1.00 0.00 C ATOM 636 CZ TYR A 211 -12.905 -5.177 3.378 1.00 0.00 C ATOM 637 OH TYR A 211 -13.693 -6.189 3.889 1.00 0.00 O ATOM 0 H TYR A 211 -10.541 0.936 1.827 1.00 0.00 H new ATOM 0 HA TYR A 211 -10.568 -1.234 3.824 1.00 0.00 H new ATOM 0 HB2 TYR A 211 -10.898 -1.610 0.887 1.00 0.00 H new ATOM 0 HB3 TYR A 211 -9.469 -2.426 1.491 1.00 0.00 H new ATOM 0 HD1 TYR A 211 -9.677 -4.105 3.354 1.00 0.00 H new ATOM 0 HD2 TYR A 211 -13.118 -2.381 1.452 1.00 0.00 H new ATOM 0 HE1 TYR A 211 -11.093 -5.922 4.273 1.00 0.00 H new ATOM 0 HE2 TYR A 211 -14.535 -4.198 2.368 1.00 0.00 H new ATOM 0 HH TYR A 211 -14.621 -6.058 3.601 1.00 0.00 H new ATOM 647 N GLU A 212 -8.085 -1.094 3.886 1.00 0.00 N ATOM 648 CA GLU A 212 -6.631 -0.807 4.022 1.00 0.00 C ATOM 649 C GLU A 212 -5.846 -2.009 3.502 1.00 0.00 C ATOM 650 O GLU A 212 -6.417 -3.026 3.165 1.00 0.00 O ATOM 651 CB GLU A 212 -6.397 -0.615 5.523 1.00 0.00 C ATOM 652 CG GLU A 212 -5.873 0.798 5.786 1.00 0.00 C ATOM 653 CD GLU A 212 -5.625 0.981 7.286 1.00 0.00 C ATOM 654 OE1 GLU A 212 -4.835 0.228 7.832 1.00 0.00 O ATOM 655 OE2 GLU A 212 -6.226 1.872 7.861 1.00 0.00 O ATOM 0 H GLU A 212 -8.469 -1.724 4.591 1.00 0.00 H new ATOM 0 HA GLU A 212 -6.313 0.070 3.459 1.00 0.00 H new ATOM 0 HB2 GLU A 212 -7.326 -0.776 6.069 1.00 0.00 H new ATOM 0 HB3 GLU A 212 -5.681 -1.352 5.887 1.00 0.00 H new ATOM 0 HG2 GLU A 212 -4.949 0.964 5.231 1.00 0.00 H new ATOM 0 HG3 GLU A 212 -6.594 1.536 5.433 1.00 0.00 H new ATOM 662 N PHE A 213 -4.550 -1.916 3.426 1.00 0.00 N ATOM 663 CA PHE A 213 -3.762 -3.075 2.920 1.00 0.00 C ATOM 664 C PHE A 213 -2.364 -3.085 3.532 1.00 0.00 C ATOM 665 O PHE A 213 -1.628 -2.124 3.425 1.00 0.00 O ATOM 666 CB PHE A 213 -3.651 -2.856 1.410 1.00 0.00 C ATOM 667 CG PHE A 213 -4.966 -3.157 0.735 1.00 0.00 C ATOM 668 CD1 PHE A 213 -5.264 -4.466 0.341 1.00 0.00 C ATOM 669 CD2 PHE A 213 -5.877 -2.125 0.486 1.00 0.00 C ATOM 670 CE1 PHE A 213 -6.476 -4.744 -0.298 1.00 0.00 C ATOM 671 CE2 PHE A 213 -7.090 -2.403 -0.157 1.00 0.00 C ATOM 672 CZ PHE A 213 -7.388 -3.714 -0.549 1.00 0.00 C ATOM 0 H PHE A 213 -4.004 -1.096 3.689 1.00 0.00 H new ATOM 0 HA PHE A 213 -4.238 -4.022 3.175 1.00 0.00 H new ATOM 0 HB2 PHE A 213 -3.358 -1.826 1.206 1.00 0.00 H new ATOM 0 HB3 PHE A 213 -2.870 -3.496 1.000 1.00 0.00 H new ATOM 0 HD1 PHE A 213 -4.558 -5.261 0.530 1.00 0.00 H new ATOM 0 HD2 PHE A 213 -5.645 -1.115 0.789 1.00 0.00 H new ATOM 0 HE1 PHE A 213 -6.708 -5.755 -0.598 1.00 0.00 H new ATOM 0 HE2 PHE A 213 -7.794 -1.607 -0.350 1.00 0.00 H new ATOM 0 HZ PHE A 213 -8.323 -3.930 -1.045 1.00 0.00 H new ATOM 682 N LEU A 214 -1.969 -4.167 4.146 1.00 0.00 N ATOM 683 CA LEU A 214 -0.596 -4.208 4.717 1.00 0.00 C ATOM 684 C LEU A 214 0.389 -4.250 3.563 1.00 0.00 C ATOM 685 O LEU A 214 0.473 -5.220 2.835 1.00 0.00 O ATOM 686 CB LEU A 214 -0.515 -5.489 5.545 1.00 0.00 C ATOM 687 CG LEU A 214 0.746 -5.492 6.427 1.00 0.00 C ATOM 688 CD1 LEU A 214 1.044 -4.094 6.972 1.00 0.00 C ATOM 689 CD2 LEU A 214 0.529 -6.453 7.594 1.00 0.00 C ATOM 0 H LEU A 214 -2.528 -5.010 4.275 1.00 0.00 H new ATOM 0 HA LEU A 214 -0.368 -3.342 5.339 1.00 0.00 H new ATOM 0 HB2 LEU A 214 -1.402 -5.579 6.171 1.00 0.00 H new ATOM 0 HB3 LEU A 214 -0.503 -6.355 4.883 1.00 0.00 H new ATOM 0 HG LEU A 214 1.595 -5.809 5.821 1.00 0.00 H new ATOM 0 HD11 LEU A 214 1.940 -4.128 7.591 1.00 0.00 H new ATOM 0 HD12 LEU A 214 1.203 -3.406 6.142 1.00 0.00 H new ATOM 0 HD13 LEU A 214 0.201 -3.750 7.572 1.00 0.00 H new ATOM 0 HD21 LEU A 214 1.417 -6.464 8.226 1.00 0.00 H new ATOM 0 HD22 LEU A 214 -0.330 -6.126 8.180 1.00 0.00 H new ATOM 0 HD23 LEU A 214 0.345 -7.456 7.210 1.00 0.00 H new ATOM 701 N ILE A 215 1.101 -3.191 3.361 1.00 0.00 N ATOM 702 CA ILE A 215 2.044 -3.151 2.223 1.00 0.00 C ATOM 703 C ILE A 215 3.474 -3.475 2.650 1.00 0.00 C ATOM 704 O ILE A 215 4.139 -2.673 3.272 1.00 0.00 O ATOM 705 CB ILE A 215 1.977 -1.713 1.735 1.00 0.00 C ATOM 706 CG1 ILE A 215 0.518 -1.263 1.605 1.00 0.00 C ATOM 707 CG2 ILE A 215 2.672 -1.619 0.384 1.00 0.00 C ATOM 708 CD1 ILE A 215 -0.273 -2.293 0.804 1.00 0.00 C ATOM 0 H ILE A 215 1.072 -2.348 3.935 1.00 0.00 H new ATOM 0 HA ILE A 215 1.779 -3.887 1.464 1.00 0.00 H new ATOM 0 HB ILE A 215 2.475 -1.062 2.453 1.00 0.00 H new ATOM 0 HG12 ILE A 215 0.076 -1.141 2.594 1.00 0.00 H new ATOM 0 HG13 ILE A 215 0.470 -0.292 1.113 1.00 0.00 H new ATOM 0 HG21 ILE A 215 2.630 -0.591 0.024 1.00 0.00 H new ATOM 0 HG22 ILE A 215 3.713 -1.925 0.488 1.00 0.00 H new ATOM 0 HG23 ILE A 215 2.171 -2.274 -0.329 1.00 0.00 H new ATOM 0 HD11 ILE A 215 -1.309 -1.967 0.715 1.00 0.00 H new ATOM 0 HD12 ILE A 215 0.162 -2.393 -0.190 1.00 0.00 H new ATOM 0 HD13 ILE A 215 -0.238 -3.256 1.314 1.00 0.00 H new ATOM 720 N LYS A 216 3.972 -4.626 2.290 1.00 0.00 N ATOM 721 CA LYS A 216 5.381 -4.947 2.648 1.00 0.00 C ATOM 722 C LYS A 216 6.311 -4.125 1.747 1.00 0.00 C ATOM 723 O LYS A 216 6.628 -4.521 0.643 1.00 0.00 O ATOM 724 CB LYS A 216 5.564 -6.442 2.372 1.00 0.00 C ATOM 725 CG LYS A 216 7.035 -6.813 2.566 1.00 0.00 C ATOM 726 CD LYS A 216 7.413 -6.635 4.038 1.00 0.00 C ATOM 727 CE LYS A 216 8.636 -7.499 4.358 1.00 0.00 C ATOM 728 NZ LYS A 216 8.082 -8.838 4.702 1.00 0.00 N ATOM 0 H LYS A 216 3.472 -5.348 1.771 1.00 0.00 H new ATOM 0 HA LYS A 216 5.609 -4.715 3.688 1.00 0.00 H new ATOM 0 HB2 LYS A 216 4.937 -7.028 3.045 1.00 0.00 H new ATOM 0 HB3 LYS A 216 5.248 -6.678 1.356 1.00 0.00 H new ATOM 0 HG2 LYS A 216 7.205 -7.844 2.257 1.00 0.00 H new ATOM 0 HG3 LYS A 216 7.666 -6.184 1.938 1.00 0.00 H new ATOM 0 HD2 LYS A 216 7.630 -5.587 4.245 1.00 0.00 H new ATOM 0 HD3 LYS A 216 6.576 -6.919 4.676 1.00 0.00 H new ATOM 0 HE2 LYS A 216 9.311 -7.559 3.505 1.00 0.00 H new ATOM 0 HE3 LYS A 216 9.207 -7.083 5.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 216 8.861 -9.487 4.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 216 7.448 -8.751 5.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 216 7.549 -9.212 3.891 1.00 0.00 H new ATOM 742 N TRP A 217 6.735 -2.973 2.191 1.00 0.00 N ATOM 743 CA TRP A 217 7.627 -2.138 1.335 1.00 0.00 C ATOM 744 C TRP A 217 9.049 -2.699 1.351 1.00 0.00 C ATOM 745 O TRP A 217 9.340 -3.663 2.031 1.00 0.00 O ATOM 746 CB TRP A 217 7.596 -0.742 1.956 1.00 0.00 C ATOM 747 CG TRP A 217 6.182 -0.265 2.039 1.00 0.00 C ATOM 748 CD1 TRP A 217 5.370 -0.441 3.103 1.00 0.00 C ATOM 749 CD2 TRP A 217 5.401 0.456 1.041 1.00 0.00 C ATOM 750 NE1 TRP A 217 4.146 0.138 2.831 1.00 0.00 N ATOM 751 CE2 TRP A 217 4.110 0.695 1.569 1.00 0.00 C ATOM 752 CE3 TRP A 217 5.684 0.921 -0.257 1.00 0.00 C ATOM 753 CZ2 TRP A 217 3.131 1.370 0.834 1.00 0.00 C ATOM 754 CZ3 TRP A 217 4.703 1.601 -0.999 1.00 0.00 C ATOM 755 CH2 TRP A 217 3.429 1.823 -0.455 1.00 0.00 C ATOM 0 H TRP A 217 6.505 -2.576 3.102 1.00 0.00 H new ATOM 0 HA TRP A 217 7.300 -2.124 0.295 1.00 0.00 H new ATOM 0 HB2 TRP A 217 8.042 -0.765 2.950 1.00 0.00 H new ATOM 0 HB3 TRP A 217 8.189 -0.052 1.356 1.00 0.00 H new ATOM 0 HD1 TRP A 217 5.634 -0.951 4.017 1.00 0.00 H new ATOM 0 HE1 TRP A 217 3.363 0.152 3.484 1.00 0.00 H new ATOM 0 HE3 TRP A 217 6.661 0.754 -0.686 1.00 0.00 H new ATOM 0 HZ2 TRP A 217 2.153 1.540 1.258 1.00 0.00 H new ATOM 0 HZ3 TRP A 217 4.931 1.955 -1.994 1.00 0.00 H new ATOM 0 HH2 TRP A 217 2.679 2.344 -1.032 1.00 0.00 H new ATOM 871 N ASN A 225 7.101 -3.491 6.641 1.00 0.00 N ATOM 872 CA ASN A 225 5.663 -3.570 6.254 1.00 0.00 C ATOM 873 C ASN A 225 4.852 -2.502 6.985 1.00 0.00 C ATOM 874 O ASN A 225 5.183 -2.089 8.080 1.00 0.00 O ATOM 875 CB ASN A 225 5.217 -4.968 6.683 1.00 0.00 C ATOM 876 CG ASN A 225 5.250 -5.070 8.209 1.00 0.00 C ATOM 877 OD1 ASN A 225 4.606 -4.301 8.895 1.00 0.00 O ATOM 878 ND2 ASN A 225 5.979 -5.993 8.774 1.00 0.00 N ATOM 0 HA ASN A 225 5.515 -3.400 5.188 1.00 0.00 H new ATOM 0 HB2 ASN A 225 4.210 -5.168 6.317 1.00 0.00 H new ATOM 0 HB3 ASN A 225 5.872 -5.721 6.244 1.00 0.00 H new ATOM 0 HD21 ASN A 225 6.008 -6.069 9.791 1.00 0.00 H new ATOM 0 HD22 ASN A 225 6.520 -6.639 8.199 1.00 0.00 H new ATOM 885 N THR A 226 3.785 -2.062 6.385 1.00 0.00 N ATOM 886 CA THR A 226 2.927 -1.030 7.026 1.00 0.00 C ATOM 887 C THR A 226 1.511 -1.151 6.471 1.00 0.00 C ATOM 888 O THR A 226 1.276 -1.838 5.497 1.00 0.00 O ATOM 889 CB THR A 226 3.547 0.314 6.646 1.00 0.00 C ATOM 890 OG1 THR A 226 4.013 0.260 5.302 1.00 0.00 O ATOM 891 CG2 THR A 226 4.715 0.622 7.589 1.00 0.00 C ATOM 0 H THR A 226 3.467 -2.376 5.468 1.00 0.00 H new ATOM 0 HA THR A 226 2.870 -1.140 8.109 1.00 0.00 H new ATOM 0 HB THR A 226 2.797 1.100 6.734 1.00 0.00 H new ATOM 0 HG1 THR A 226 4.946 -0.038 5.291 1.00 0.00 H new ATOM 0 HG21 THR A 226 5.158 1.581 7.319 1.00 0.00 H new ATOM 0 HG22 THR A 226 4.352 0.667 8.616 1.00 0.00 H new ATOM 0 HG23 THR A 226 5.467 -0.162 7.504 1.00 0.00 H new ATOM 899 N TRP A 227 0.563 -0.506 7.077 1.00 0.00 N ATOM 900 CA TRP A 227 -0.829 -0.616 6.569 1.00 0.00 C ATOM 901 C TRP A 227 -1.241 0.660 5.835 1.00 0.00 C ATOM 902 O TRP A 227 -1.598 1.653 6.437 1.00 0.00 O ATOM 903 CB TRP A 227 -1.673 -0.844 7.818 1.00 0.00 C ATOM 904 CG TRP A 227 -1.593 -2.292 8.175 1.00 0.00 C ATOM 905 CD1 TRP A 227 -0.615 -2.863 8.919 1.00 0.00 C ATOM 906 CD2 TRP A 227 -2.495 -3.364 7.793 1.00 0.00 C ATOM 907 NE1 TRP A 227 -0.870 -4.218 9.023 1.00 0.00 N ATOM 908 CE2 TRP A 227 -2.020 -4.575 8.347 1.00 0.00 C ATOM 909 CE3 TRP A 227 -3.673 -3.402 7.029 1.00 0.00 C ATOM 910 CZ2 TRP A 227 -2.691 -5.780 8.147 1.00 0.00 C ATOM 911 CZ3 TRP A 227 -4.348 -4.614 6.827 1.00 0.00 C ATOM 912 CH2 TRP A 227 -3.856 -5.800 7.386 1.00 0.00 C ATOM 0 H TRP A 227 0.687 0.089 7.896 1.00 0.00 H new ATOM 0 HA TRP A 227 -0.950 -1.422 5.846 1.00 0.00 H new ATOM 0 HB2 TRP A 227 -1.309 -0.229 8.641 1.00 0.00 H new ATOM 0 HB3 TRP A 227 -2.708 -0.554 7.636 1.00 0.00 H new ATOM 0 HD1 TRP A 227 0.225 -2.345 9.358 1.00 0.00 H new ATOM 0 HE1 TRP A 227 -0.281 -4.874 9.536 1.00 0.00 H new ATOM 0 HE3 TRP A 227 -4.061 -2.492 6.595 1.00 0.00 H new ATOM 0 HZ2 TRP A 227 -2.309 -6.693 8.580 1.00 0.00 H new ATOM 0 HZ3 TRP A 227 -5.252 -4.633 6.237 1.00 0.00 H new ATOM 0 HH2 TRP A 227 -4.381 -6.730 7.226 1.00 0.00 H new ATOM 923 N GLU A 228 -1.189 0.634 4.530 1.00 0.00 N ATOM 924 CA GLU A 228 -1.569 1.837 3.740 1.00 0.00 C ATOM 925 C GLU A 228 -2.916 1.620 3.044 1.00 0.00 C ATOM 926 O GLU A 228 -3.601 0.645 3.281 1.00 0.00 O ATOM 927 CB GLU A 228 -0.454 1.999 2.709 1.00 0.00 C ATOM 928 CG GLU A 228 0.872 2.248 3.433 1.00 0.00 C ATOM 929 CD GLU A 228 0.685 3.356 4.470 1.00 0.00 C ATOM 930 OE1 GLU A 228 0.496 4.492 4.067 1.00 0.00 O ATOM 931 OE2 GLU A 228 0.732 3.050 5.651 1.00 0.00 O ATOM 0 H GLU A 228 -0.898 -0.172 3.977 1.00 0.00 H new ATOM 0 HA GLU A 228 -1.680 2.721 4.368 1.00 0.00 H new ATOM 0 HB2 GLU A 228 -0.382 1.104 2.091 1.00 0.00 H new ATOM 0 HB3 GLU A 228 -0.679 2.831 2.041 1.00 0.00 H new ATOM 0 HG2 GLU A 228 1.211 1.333 3.919 1.00 0.00 H new ATOM 0 HG3 GLU A 228 1.642 2.532 2.716 1.00 0.00 H new ATOM 938 N THR A 229 -3.296 2.525 2.185 1.00 0.00 N ATOM 939 CA THR A 229 -4.588 2.382 1.465 1.00 0.00 C ATOM 940 C THR A 229 -4.403 2.829 0.017 1.00 0.00 C ATOM 941 O THR A 229 -3.544 3.634 -0.285 1.00 0.00 O ATOM 942 CB THR A 229 -5.560 3.309 2.196 1.00 0.00 C ATOM 943 OG1 THR A 229 -4.880 4.496 2.581 1.00 0.00 O ATOM 944 CG2 THR A 229 -6.101 2.604 3.441 1.00 0.00 C ATOM 0 H THR A 229 -2.762 3.362 1.951 1.00 0.00 H new ATOM 0 HA THR A 229 -4.954 1.355 1.450 1.00 0.00 H new ATOM 0 HB THR A 229 -6.389 3.562 1.535 1.00 0.00 H new ATOM 0 HG1 THR A 229 -5.502 5.092 3.048 1.00 0.00 H new ATOM 0 HG21 THR A 229 -6.794 3.265 3.962 1.00 0.00 H new ATOM 0 HG22 THR A 229 -6.622 1.693 3.146 1.00 0.00 H new ATOM 0 HG23 THR A 229 -5.274 2.351 4.104 1.00 0.00 H new ATOM 952 N TYR A 230 -5.185 2.316 -0.883 1.00 0.00 N ATOM 953 CA TYR A 230 -5.027 2.718 -2.306 1.00 0.00 C ATOM 954 C TYR A 230 -4.869 4.238 -2.417 1.00 0.00 C ATOM 955 O TYR A 230 -4.175 4.737 -3.280 1.00 0.00 O ATOM 956 CB TYR A 230 -6.314 2.263 -2.996 1.00 0.00 C ATOM 957 CG TYR A 230 -6.084 0.942 -3.688 1.00 0.00 C ATOM 958 CD1 TYR A 230 -5.215 0.867 -4.782 1.00 0.00 C ATOM 959 CD2 TYR A 230 -6.747 -0.208 -3.240 1.00 0.00 C ATOM 960 CE1 TYR A 230 -5.009 -0.358 -5.429 1.00 0.00 C ATOM 961 CE2 TYR A 230 -6.539 -1.432 -3.886 1.00 0.00 C ATOM 962 CZ TYR A 230 -5.670 -1.506 -4.981 1.00 0.00 C ATOM 963 OH TYR A 230 -5.465 -2.710 -5.623 1.00 0.00 O ATOM 0 H TYR A 230 -5.925 1.638 -0.699 1.00 0.00 H new ATOM 0 HA TYR A 230 -4.142 2.273 -2.760 1.00 0.00 H new ATOM 0 HB2 TYR A 230 -7.115 2.165 -2.263 1.00 0.00 H new ATOM 0 HB3 TYR A 230 -6.634 3.012 -3.720 1.00 0.00 H new ATOM 0 HD1 TYR A 230 -4.703 1.753 -5.127 1.00 0.00 H new ATOM 0 HD2 TYR A 230 -7.419 -0.150 -2.396 1.00 0.00 H new ATOM 0 HE1 TYR A 230 -4.339 -0.416 -6.274 1.00 0.00 H new ATOM 0 HE2 TYR A 230 -7.049 -2.319 -3.540 1.00 0.00 H new ATOM 0 HH TYR A 230 -5.486 -2.571 -6.593 1.00 0.00 H new ATOM 973 N GLU A 231 -5.510 4.974 -1.554 1.00 0.00 N ATOM 974 CA GLU A 231 -5.399 6.461 -1.613 1.00 0.00 C ATOM 975 C GLU A 231 -3.961 6.900 -1.326 1.00 0.00 C ATOM 976 O GLU A 231 -3.607 8.049 -1.496 1.00 0.00 O ATOM 977 CB GLU A 231 -6.344 6.976 -0.528 1.00 0.00 C ATOM 978 CG GLU A 231 -7.097 8.201 -1.050 1.00 0.00 C ATOM 979 CD GLU A 231 -8.254 8.530 -0.105 1.00 0.00 C ATOM 980 OE1 GLU A 231 -9.191 7.748 -0.052 1.00 0.00 O ATOM 981 OE2 GLU A 231 -8.186 9.557 0.550 1.00 0.00 O ATOM 0 H GLU A 231 -6.106 4.612 -0.810 1.00 0.00 H new ATOM 0 HA GLU A 231 -5.658 6.852 -2.597 1.00 0.00 H new ATOM 0 HB2 GLU A 231 -7.050 6.195 -0.244 1.00 0.00 H new ATOM 0 HB3 GLU A 231 -5.780 7.236 0.368 1.00 0.00 H new ATOM 0 HG2 GLU A 231 -6.421 9.053 -1.124 1.00 0.00 H new ATOM 0 HG3 GLU A 231 -7.477 8.007 -2.053 1.00 0.00 H new ATOM 988 N SER A 232 -3.130 5.994 -0.892 1.00 0.00 N ATOM 989 CA SER A 232 -1.715 6.365 -0.593 1.00 0.00 C ATOM 990 C SER A 232 -0.748 5.399 -1.284 1.00 0.00 C ATOM 991 O SER A 232 0.419 5.691 -1.456 1.00 0.00 O ATOM 992 CB SER A 232 -1.589 6.252 0.926 1.00 0.00 C ATOM 993 OG SER A 232 -1.159 4.941 1.267 1.00 0.00 O ATOM 0 H SER A 232 -3.367 5.015 -0.731 1.00 0.00 H new ATOM 0 HA SER A 232 -1.470 7.365 -0.952 1.00 0.00 H new ATOM 0 HB2 SER A 232 -0.877 6.989 1.299 1.00 0.00 H new ATOM 0 HB3 SER A 232 -2.547 6.467 1.399 1.00 0.00 H new ATOM 0 HG SER A 232 -0.723 4.958 2.145 1.00 0.00 H new ATOM 999 N ILE A 233 -1.222 4.249 -1.678 1.00 0.00 N ATOM 1000 CA ILE A 233 -0.330 3.261 -2.354 1.00 0.00 C ATOM 1001 C ILE A 233 -0.830 3.014 -3.786 1.00 0.00 C ATOM 1002 O ILE A 233 -0.362 2.129 -4.475 1.00 0.00 O ATOM 1003 CB ILE A 233 -0.381 1.973 -1.483 1.00 0.00 C ATOM 1004 CG1 ILE A 233 -0.561 0.725 -2.356 1.00 0.00 C ATOM 1005 CG2 ILE A 233 -1.535 2.030 -0.474 1.00 0.00 C ATOM 1006 CD1 ILE A 233 -0.796 -0.492 -1.460 1.00 0.00 C ATOM 0 H ILE A 233 -2.190 3.949 -1.561 1.00 0.00 H new ATOM 0 HA ILE A 233 0.698 3.613 -2.441 1.00 0.00 H new ATOM 0 HB ILE A 233 0.567 1.915 -0.949 1.00 0.00 H new ATOM 0 HG12 ILE A 233 -1.404 0.860 -3.033 1.00 0.00 H new ATOM 0 HG13 ILE A 233 0.323 0.570 -2.975 1.00 0.00 H new ATOM 0 HG21 ILE A 233 -1.545 1.116 0.120 1.00 0.00 H new ATOM 0 HG22 ILE A 233 -1.401 2.889 0.184 1.00 0.00 H new ATOM 0 HG23 ILE A 233 -2.481 2.126 -1.008 1.00 0.00 H new ATOM 0 HD11 ILE A 233 -0.924 -1.380 -2.079 1.00 0.00 H new ATOM 0 HD12 ILE A 233 0.061 -0.630 -0.801 1.00 0.00 H new ATOM 0 HD13 ILE A 233 -1.693 -0.335 -0.861 1.00 0.00 H new ATOM 1018 N GLY A 234 -1.774 3.793 -4.236 1.00 0.00 N ATOM 1019 CA GLY A 234 -2.297 3.601 -5.617 1.00 0.00 C ATOM 1020 C GLY A 234 -1.492 4.455 -6.601 1.00 0.00 C ATOM 1021 O GLY A 234 -2.044 5.235 -7.352 1.00 0.00 O ATOM 0 H GLY A 234 -2.205 4.552 -3.709 1.00 0.00 H new ATOM 0 HA2 GLY A 234 -2.233 2.550 -5.897 1.00 0.00 H new ATOM 0 HA3 GLY A 234 -3.350 3.878 -5.658 1.00 0.00 H new ATOM 1025 N GLN A 235 -0.192 4.316 -6.608 1.00 0.00 N ATOM 1026 CA GLN A 235 0.634 5.127 -7.552 1.00 0.00 C ATOM 1027 C GLN A 235 2.123 4.791 -7.398 1.00 0.00 C ATOM 1028 O GLN A 235 2.972 5.660 -7.428 1.00 0.00 O ATOM 1029 CB GLN A 235 0.368 6.580 -7.155 1.00 0.00 C ATOM 1030 CG GLN A 235 0.656 6.762 -5.664 1.00 0.00 C ATOM 1031 CD GLN A 235 0.916 8.241 -5.370 1.00 0.00 C ATOM 1032 OE1 GLN A 235 0.214 9.101 -5.861 1.00 0.00 O ATOM 1033 NE2 GLN A 235 1.903 8.573 -4.583 1.00 0.00 N ATOM 0 H GLN A 235 0.331 3.681 -6.005 1.00 0.00 H new ATOM 0 HA GLN A 235 0.378 4.930 -8.593 1.00 0.00 H new ATOM 0 HB2 GLN A 235 0.997 7.250 -7.742 1.00 0.00 H new ATOM 0 HB3 GLN A 235 -0.667 6.844 -7.371 1.00 0.00 H new ATOM 0 HG2 GLN A 235 -0.188 6.406 -5.074 1.00 0.00 H new ATOM 0 HG3 GLN A 235 1.521 6.165 -5.375 1.00 0.00 H new ATOM 0 HE21 GLN A 235 2.492 7.850 -4.171 1.00 0.00 H new ATOM 0 HE22 GLN A 235 2.085 9.556 -4.380 1.00 0.00 H new ATOM 1042 N VAL A 236 2.445 3.537 -7.240 1.00 0.00 N ATOM 1043 CA VAL A 236 3.878 3.136 -7.088 1.00 0.00 C ATOM 1044 C VAL A 236 4.019 1.637 -7.350 1.00 0.00 C ATOM 1045 O VAL A 236 4.699 0.932 -6.630 1.00 0.00 O ATOM 1046 CB VAL A 236 4.237 3.454 -5.634 1.00 0.00 C ATOM 1047 CG1 VAL A 236 4.486 4.954 -5.479 1.00 0.00 C ATOM 1048 CG2 VAL A 236 3.084 3.030 -4.718 1.00 0.00 C ATOM 0 H VAL A 236 1.777 2.767 -7.209 1.00 0.00 H new ATOM 0 HA VAL A 236 4.531 3.658 -7.788 1.00 0.00 H new ATOM 0 HB VAL A 236 5.140 2.909 -5.359 1.00 0.00 H new ATOM 0 HG11 VAL A 236 4.741 5.175 -4.443 1.00 0.00 H new ATOM 0 HG12 VAL A 236 5.309 5.255 -6.127 1.00 0.00 H new ATOM 0 HG13 VAL A 236 3.586 5.503 -5.756 1.00 0.00 H new ATOM 0 HG21 VAL A 236 3.340 3.256 -3.683 1.00 0.00 H new ATOM 0 HG22 VAL A 236 2.180 3.573 -4.996 1.00 0.00 H new ATOM 0 HG23 VAL A 236 2.911 1.959 -4.823 1.00 0.00 H new ATOM 1058 N ARG A 237 3.354 1.140 -8.359 1.00 0.00 N ATOM 1059 CA ARG A 237 3.418 -0.323 -8.657 1.00 0.00 C ATOM 1060 C ARG A 237 2.621 -1.095 -7.598 1.00 0.00 C ATOM 1061 O ARG A 237 2.513 -2.308 -7.641 1.00 0.00 O ATOM 1062 CB ARG A 237 4.903 -0.694 -8.600 1.00 0.00 C ATOM 1063 CG ARG A 237 5.287 -1.458 -9.870 1.00 0.00 C ATOM 1064 CD ARG A 237 5.557 -2.925 -9.522 1.00 0.00 C ATOM 1065 NE ARG A 237 6.829 -3.260 -10.220 1.00 0.00 N ATOM 1066 CZ ARG A 237 7.215 -4.504 -10.311 1.00 0.00 C ATOM 1067 NH1 ARG A 237 6.331 -5.449 -10.479 1.00 0.00 N ATOM 1068 NH2 ARG A 237 8.483 -4.802 -10.232 1.00 0.00 N ATOM 0 H ARG A 237 2.768 1.684 -8.992 1.00 0.00 H new ATOM 0 HA ARG A 237 2.991 -0.568 -9.630 1.00 0.00 H new ATOM 0 HB2 ARG A 237 5.510 0.206 -8.507 1.00 0.00 H new ATOM 0 HB3 ARG A 237 5.103 -1.306 -7.720 1.00 0.00 H new ATOM 0 HG2 ARG A 237 4.485 -1.389 -10.605 1.00 0.00 H new ATOM 0 HG3 ARG A 237 6.173 -1.011 -10.322 1.00 0.00 H new ATOM 0 HD2 ARG A 237 5.650 -3.064 -8.445 1.00 0.00 H new ATOM 0 HD3 ARG A 237 4.742 -3.566 -9.858 1.00 0.00 H new ATOM 0 HE ARG A 237 7.398 -2.518 -10.627 1.00 0.00 H new ATOM 0 HH11 ARG A 237 5.340 -5.215 -10.539 1.00 0.00 H new ATOM 0 HH12 ARG A 237 6.631 -6.421 -10.550 1.00 0.00 H new ATOM 0 HH21 ARG A 237 9.173 -4.063 -10.099 1.00 0.00 H new ATOM 0 HH22 ARG A 237 8.784 -5.774 -10.303 1.00 0.00 H new ATOM 1082 N GLY A 238 2.050 -0.395 -6.649 1.00 0.00 N ATOM 1083 CA GLY A 238 1.257 -1.075 -5.597 1.00 0.00 C ATOM 1084 C GLY A 238 0.002 -1.662 -6.229 1.00 0.00 C ATOM 1085 O GLY A 238 -0.227 -2.848 -6.181 1.00 0.00 O ATOM 0 H GLY A 238 2.103 0.620 -6.563 1.00 0.00 H new ATOM 0 HA2 GLY A 238 1.848 -1.863 -5.129 1.00 0.00 H new ATOM 0 HA3 GLY A 238 0.989 -0.369 -4.811 1.00 0.00 H new ATOM 1089 N LEU A 239 -0.809 -0.839 -6.828 1.00 0.00 N ATOM 1090 CA LEU A 239 -2.048 -1.356 -7.467 1.00 0.00 C ATOM 1091 C LEU A 239 -1.751 -2.643 -8.238 1.00 0.00 C ATOM 1092 O LEU A 239 -2.571 -3.530 -8.308 1.00 0.00 O ATOM 1093 CB LEU A 239 -2.496 -0.247 -8.419 1.00 0.00 C ATOM 1094 CG LEU A 239 -2.693 1.051 -7.636 1.00 0.00 C ATOM 1095 CD1 LEU A 239 -1.675 2.088 -8.112 1.00 0.00 C ATOM 1096 CD2 LEU A 239 -4.108 1.581 -7.875 1.00 0.00 C ATOM 0 H LEU A 239 -0.668 0.168 -6.903 1.00 0.00 H new ATOM 0 HA LEU A 239 -2.819 -1.599 -6.736 1.00 0.00 H new ATOM 0 HB2 LEU A 239 -1.751 -0.102 -9.201 1.00 0.00 H new ATOM 0 HB3 LEU A 239 -3.426 -0.531 -8.913 1.00 0.00 H new ATOM 0 HG LEU A 239 -2.551 0.860 -6.572 1.00 0.00 H new ATOM 0 HD11 LEU A 239 -1.813 3.015 -7.556 1.00 0.00 H new ATOM 0 HD12 LEU A 239 -0.666 1.711 -7.945 1.00 0.00 H new ATOM 0 HD13 LEU A 239 -1.820 2.278 -9.175 1.00 0.00 H new ATOM 0 HD21 LEU A 239 -4.249 2.507 -7.317 1.00 0.00 H new ATOM 0 HD22 LEU A 239 -4.250 1.773 -8.938 1.00 0.00 H new ATOM 0 HD23 LEU A 239 -4.835 0.841 -7.540 1.00 0.00 H new ATOM 1108 N LYS A 240 -0.585 -2.756 -8.810 1.00 0.00 N ATOM 1109 CA LYS A 240 -0.255 -3.997 -9.565 1.00 0.00 C ATOM 1110 C LYS A 240 -0.172 -5.178 -8.600 1.00 0.00 C ATOM 1111 O LYS A 240 -0.918 -6.132 -8.707 1.00 0.00 O ATOM 1112 CB LYS A 240 1.104 -3.730 -10.207 1.00 0.00 C ATOM 1113 CG LYS A 240 1.419 -4.839 -11.213 1.00 0.00 C ATOM 1114 CD LYS A 240 1.726 -6.137 -10.462 1.00 0.00 C ATOM 1115 CE LYS A 240 2.588 -7.046 -11.340 1.00 0.00 C ATOM 1116 NZ LYS A 240 2.871 -8.240 -10.495 1.00 0.00 N ATOM 0 H LYS A 240 0.149 -2.048 -8.788 1.00 0.00 H new ATOM 0 HA LYS A 240 -1.009 -4.242 -10.313 1.00 0.00 H new ATOM 0 HB2 LYS A 240 1.098 -2.762 -10.707 1.00 0.00 H new ATOM 0 HB3 LYS A 240 1.878 -3.688 -9.441 1.00 0.00 H new ATOM 0 HG2 LYS A 240 0.573 -4.986 -11.885 1.00 0.00 H new ATOM 0 HG3 LYS A 240 2.271 -4.553 -11.830 1.00 0.00 H new ATOM 0 HD2 LYS A 240 2.246 -5.915 -9.530 1.00 0.00 H new ATOM 0 HD3 LYS A 240 0.798 -6.644 -10.197 1.00 0.00 H new ATOM 0 HE2 LYS A 240 2.064 -7.324 -12.254 1.00 0.00 H new ATOM 0 HE3 LYS A 240 3.509 -6.547 -11.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 240 3.459 -8.912 -11.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 240 3.376 -7.945 -9.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 240 1.976 -8.698 -10.230 1.00 0.00 H new ATOM 1130 N ARG A 241 0.716 -5.119 -7.647 1.00 0.00 N ATOM 1131 CA ARG A 241 0.818 -6.241 -6.672 1.00 0.00 C ATOM 1132 C ARG A 241 -0.411 -6.219 -5.762 1.00 0.00 C ATOM 1133 O ARG A 241 -0.836 -7.230 -5.239 1.00 0.00 O ATOM 1134 CB ARG A 241 2.097 -5.973 -5.884 1.00 0.00 C ATOM 1135 CG ARG A 241 3.276 -6.649 -6.586 1.00 0.00 C ATOM 1136 CD ARG A 241 4.465 -6.738 -5.628 1.00 0.00 C ATOM 1137 NE ARG A 241 5.621 -6.204 -6.400 1.00 0.00 N ATOM 1138 CZ ARG A 241 6.371 -7.014 -7.097 1.00 0.00 C ATOM 1139 NH1 ARG A 241 5.959 -8.225 -7.355 1.00 0.00 N ATOM 1140 NH2 ARG A 241 7.533 -6.612 -7.535 1.00 0.00 N ATOM 0 H ARG A 241 1.370 -4.350 -7.501 1.00 0.00 H new ATOM 0 HA ARG A 241 0.853 -7.221 -7.147 1.00 0.00 H new ATOM 0 HB2 ARG A 241 2.272 -4.900 -5.807 1.00 0.00 H new ATOM 0 HB3 ARG A 241 1.998 -6.354 -4.867 1.00 0.00 H new ATOM 0 HG2 ARG A 241 2.990 -7.647 -6.919 1.00 0.00 H new ATOM 0 HG3 ARG A 241 3.555 -6.084 -7.475 1.00 0.00 H new ATOM 0 HD2 ARG A 241 4.289 -6.153 -4.725 1.00 0.00 H new ATOM 0 HD3 ARG A 241 4.642 -7.766 -5.313 1.00 0.00 H new ATOM 0 HE ARG A 241 5.827 -5.205 -6.384 1.00 0.00 H new ATOM 0 HH11 ARG A 241 5.051 -8.539 -7.012 1.00 0.00 H new ATOM 0 HH12 ARG A 241 6.545 -8.858 -7.900 1.00 0.00 H new ATOM 0 HH21 ARG A 241 7.855 -5.665 -7.333 1.00 0.00 H new ATOM 0 HH22 ARG A 241 8.119 -7.244 -8.080 1.00 0.00 H new ATOM 1154 N LEU A 242 -0.996 -5.065 -5.599 1.00 0.00 N ATOM 1155 CA LEU A 242 -2.217 -4.945 -4.757 1.00 0.00 C ATOM 1156 C LEU A 242 -3.393 -5.519 -5.536 1.00 0.00 C ATOM 1157 O LEU A 242 -4.287 -6.129 -4.984 1.00 0.00 O ATOM 1158 CB LEU A 242 -2.390 -3.439 -4.548 1.00 0.00 C ATOM 1159 CG LEU A 242 -3.189 -3.167 -3.272 1.00 0.00 C ATOM 1160 CD1 LEU A 242 -4.433 -4.054 -3.249 1.00 0.00 C ATOM 1161 CD2 LEU A 242 -2.319 -3.467 -2.050 1.00 0.00 C ATOM 0 H LEU A 242 -0.676 -4.192 -6.018 1.00 0.00 H new ATOM 0 HA LEU A 242 -2.152 -5.476 -3.808 1.00 0.00 H new ATOM 0 HB2 LEU A 242 -1.413 -2.960 -4.482 1.00 0.00 H new ATOM 0 HB3 LEU A 242 -2.902 -3.003 -5.406 1.00 0.00 H new ATOM 0 HG LEU A 242 -3.493 -2.120 -3.250 1.00 0.00 H new ATOM 0 HD11 LEU A 242 -5.002 -3.860 -2.340 1.00 0.00 H new ATOM 0 HD12 LEU A 242 -5.053 -3.834 -4.118 1.00 0.00 H new ATOM 0 HD13 LEU A 242 -4.133 -5.102 -3.273 1.00 0.00 H new ATOM 0 HD21 LEU A 242 -2.889 -3.273 -1.141 1.00 0.00 H new ATOM 0 HD22 LEU A 242 -2.012 -4.513 -2.070 1.00 0.00 H new ATOM 0 HD23 LEU A 242 -1.435 -2.829 -2.067 1.00 0.00 H new ATOM 1173 N ASP A 243 -3.378 -5.346 -6.829 1.00 0.00 N ATOM 1174 CA ASP A 243 -4.479 -5.903 -7.663 1.00 0.00 C ATOM 1175 C ASP A 243 -4.385 -7.425 -7.642 1.00 0.00 C ATOM 1176 O ASP A 243 -5.352 -8.118 -7.399 1.00 0.00 O ATOM 1177 CB ASP A 243 -4.242 -5.371 -9.077 1.00 0.00 C ATOM 1178 CG ASP A 243 -4.920 -4.008 -9.229 1.00 0.00 C ATOM 1179 OD1 ASP A 243 -5.363 -3.474 -8.226 1.00 0.00 O ATOM 1180 OD2 ASP A 243 -4.986 -3.524 -10.347 1.00 0.00 O ATOM 0 H ASP A 243 -2.653 -4.845 -7.342 1.00 0.00 H new ATOM 0 HA ASP A 243 -5.467 -5.618 -7.300 1.00 0.00 H new ATOM 0 HB2 ASP A 243 -3.173 -5.281 -9.269 1.00 0.00 H new ATOM 0 HB3 ASP A 243 -4.640 -6.071 -9.812 1.00 0.00 H new ATOM 1185 N ASN A 244 -3.212 -7.948 -7.877 1.00 0.00 N ATOM 1186 CA ASN A 244 -3.043 -9.426 -7.851 1.00 0.00 C ATOM 1187 C ASN A 244 -3.268 -9.927 -6.425 1.00 0.00 C ATOM 1188 O ASN A 244 -3.576 -11.082 -6.201 1.00 0.00 O ATOM 1189 CB ASN A 244 -1.601 -9.671 -8.298 1.00 0.00 C ATOM 1190 CG ASN A 244 -1.222 -11.129 -8.037 1.00 0.00 C ATOM 1191 OD1 ASN A 244 -1.326 -11.963 -8.915 1.00 0.00 O ATOM 1192 ND2 ASN A 244 -0.781 -11.474 -6.859 1.00 0.00 N ATOM 0 H ASN A 244 -2.367 -7.416 -8.085 1.00 0.00 H new ATOM 0 HA ASN A 244 -3.749 -9.949 -8.496 1.00 0.00 H new ATOM 0 HB2 ASN A 244 -1.495 -9.442 -9.358 1.00 0.00 H new ATOM 0 HB3 ASN A 244 -0.925 -9.007 -7.759 1.00 0.00 H new ATOM 0 HD21 ASN A 244 -0.523 -12.444 -6.675 1.00 0.00 H new ATOM 0 HD22 ASN A 244 -0.694 -10.774 -6.122 1.00 0.00 H new ATOM 1199 N TYR A 245 -3.144 -9.058 -5.458 1.00 0.00 N ATOM 1200 CA TYR A 245 -3.382 -9.479 -4.056 1.00 0.00 C ATOM 1201 C TYR A 245 -4.881 -9.418 -3.783 1.00 0.00 C ATOM 1202 O TYR A 245 -5.459 -10.313 -3.202 1.00 0.00 O ATOM 1203 CB TYR A 245 -2.642 -8.462 -3.187 1.00 0.00 C ATOM 1204 CG TYR A 245 -3.152 -8.569 -1.771 1.00 0.00 C ATOM 1205 CD1 TYR A 245 -2.550 -9.461 -0.877 1.00 0.00 C ATOM 1206 CD2 TYR A 245 -4.234 -7.785 -1.357 1.00 0.00 C ATOM 1207 CE1 TYR A 245 -3.029 -9.569 0.432 1.00 0.00 C ATOM 1208 CE2 TYR A 245 -4.716 -7.894 -0.048 1.00 0.00 C ATOM 1209 CZ TYR A 245 -4.113 -8.786 0.846 1.00 0.00 C ATOM 1210 OH TYR A 245 -4.588 -8.896 2.136 1.00 0.00 O ATOM 0 H TYR A 245 -2.889 -8.078 -5.582 1.00 0.00 H new ATOM 0 HA TYR A 245 -3.035 -10.492 -3.853 1.00 0.00 H new ATOM 0 HB2 TYR A 245 -1.569 -8.650 -3.217 1.00 0.00 H new ATOM 0 HB3 TYR A 245 -2.799 -7.454 -3.570 1.00 0.00 H new ATOM 0 HD1 TYR A 245 -1.715 -10.066 -1.198 1.00 0.00 H new ATOM 0 HD2 TYR A 245 -4.697 -7.096 -2.048 1.00 0.00 H new ATOM 0 HE1 TYR A 245 -2.563 -10.256 1.123 1.00 0.00 H new ATOM 0 HE2 TYR A 245 -5.552 -7.290 0.272 1.00 0.00 H new ATOM 0 HH TYR A 245 -5.557 -8.749 2.142 1.00 0.00 H new ATOM 1220 N CYS A 246 -5.512 -8.363 -4.215 1.00 0.00 N ATOM 1221 CA CYS A 246 -6.972 -8.232 -4.000 1.00 0.00 C ATOM 1222 C CYS A 246 -7.695 -9.328 -4.782 1.00 0.00 C ATOM 1223 O CYS A 246 -8.749 -9.788 -4.398 1.00 0.00 O ATOM 1224 CB CYS A 246 -7.332 -6.847 -4.537 1.00 0.00 C ATOM 1225 SG CYS A 246 -7.125 -5.620 -3.222 1.00 0.00 S ATOM 0 H CYS A 246 -5.075 -7.585 -4.709 1.00 0.00 H new ATOM 0 HA CYS A 246 -7.259 -8.336 -2.954 1.00 0.00 H new ATOM 0 HB2 CYS A 246 -6.696 -6.597 -5.386 1.00 0.00 H new ATOM 0 HB3 CYS A 246 -8.361 -6.840 -4.897 1.00 0.00 H new ATOM 0 HG CYS A 246 -6.330 -6.093 -2.308 1.00 0.00 H new ATOM 1231 N LYS A 247 -7.125 -9.761 -5.870 1.00 0.00 N ATOM 1232 CA LYS A 247 -7.774 -10.841 -6.662 1.00 0.00 C ATOM 1233 C LYS A 247 -7.438 -12.194 -6.033 1.00 0.00 C ATOM 1234 O LYS A 247 -8.210 -13.131 -6.095 1.00 0.00 O ATOM 1235 CB LYS A 247 -7.189 -10.720 -8.077 1.00 0.00 C ATOM 1236 CG LYS A 247 -5.808 -11.377 -8.140 1.00 0.00 C ATOM 1237 CD LYS A 247 -5.346 -11.463 -9.597 1.00 0.00 C ATOM 1238 CE LYS A 247 -4.178 -12.447 -9.706 1.00 0.00 C ATOM 1239 NZ LYS A 247 -4.522 -13.329 -10.857 1.00 0.00 N ATOM 0 H LYS A 247 -6.241 -9.416 -6.244 1.00 0.00 H new ATOM 0 HA LYS A 247 -8.861 -10.757 -6.685 1.00 0.00 H new ATOM 0 HB2 LYS A 247 -7.858 -11.194 -8.796 1.00 0.00 H new ATOM 0 HB3 LYS A 247 -7.112 -9.669 -8.357 1.00 0.00 H new ATOM 0 HG2 LYS A 247 -5.092 -10.800 -7.555 1.00 0.00 H new ATOM 0 HG3 LYS A 247 -5.848 -12.374 -7.701 1.00 0.00 H new ATOM 0 HD2 LYS A 247 -6.170 -11.789 -10.232 1.00 0.00 H new ATOM 0 HD3 LYS A 247 -5.040 -10.479 -9.951 1.00 0.00 H new ATOM 0 HE2 LYS A 247 -3.237 -11.925 -9.877 1.00 0.00 H new ATOM 0 HE3 LYS A 247 -4.061 -13.023 -8.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 247 -3.767 -14.031 -10.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 247 -5.419 -13.818 -10.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 247 -4.620 -12.754 -11.718 1.00 0.00 H new ATOM 1253 N GLN A 248 -6.296 -12.294 -5.411 1.00 0.00 N ATOM 1254 CA GLN A 248 -5.909 -13.573 -4.759 1.00 0.00 C ATOM 1255 C GLN A 248 -6.392 -13.569 -3.308 1.00 0.00 C ATOM 1256 O GLN A 248 -6.221 -14.530 -2.584 1.00 0.00 O ATOM 1257 CB GLN A 248 -4.380 -13.599 -4.813 1.00 0.00 C ATOM 1258 CG GLN A 248 -3.893 -15.048 -4.884 1.00 0.00 C ATOM 1259 CD GLN A 248 -3.723 -15.459 -6.347 1.00 0.00 C ATOM 1260 OE1 GLN A 248 -3.092 -14.762 -7.117 1.00 0.00 O ATOM 1261 NE2 GLN A 248 -4.264 -16.570 -6.767 1.00 0.00 N ATOM 0 H GLN A 248 -5.613 -11.541 -5.327 1.00 0.00 H new ATOM 0 HA GLN A 248 -6.345 -14.444 -5.248 1.00 0.00 H new ATOM 0 HB2 GLN A 248 -4.027 -13.043 -5.682 1.00 0.00 H new ATOM 0 HB3 GLN A 248 -3.967 -13.109 -3.932 1.00 0.00 H new ATOM 0 HG2 GLN A 248 -2.946 -15.151 -4.354 1.00 0.00 H new ATOM 0 HG3 GLN A 248 -4.607 -15.707 -4.391 1.00 0.00 H new ATOM 0 HE21 GLN A 248 -4.794 -17.155 -6.121 1.00 0.00 H new ATOM 0 HE22 GLN A 248 -4.157 -16.853 -7.741 1.00 0.00 H new ATOM 1270 N PHE A 249 -6.985 -12.487 -2.873 1.00 0.00 N ATOM 1271 CA PHE A 249 -7.465 -12.424 -1.464 1.00 0.00 C ATOM 1272 C PHE A 249 -8.839 -11.744 -1.362 1.00 0.00 C ATOM 1273 O PHE A 249 -9.552 -11.934 -0.398 1.00 0.00 O ATOM 1274 CB PHE A 249 -6.410 -11.602 -0.725 1.00 0.00 C ATOM 1275 CG PHE A 249 -5.148 -12.416 -0.583 1.00 0.00 C ATOM 1276 CD1 PHE A 249 -5.142 -13.558 0.227 1.00 0.00 C ATOM 1277 CD2 PHE A 249 -3.984 -12.032 -1.259 1.00 0.00 C ATOM 1278 CE1 PHE A 249 -3.973 -14.316 0.361 1.00 0.00 C ATOM 1279 CE2 PHE A 249 -2.815 -12.791 -1.125 1.00 0.00 C ATOM 1280 CZ PHE A 249 -2.809 -13.932 -0.315 1.00 0.00 C ATOM 0 H PHE A 249 -7.156 -11.650 -3.430 1.00 0.00 H new ATOM 0 HA PHE A 249 -7.591 -13.422 -1.043 1.00 0.00 H new ATOM 0 HB2 PHE A 249 -6.202 -10.682 -1.271 1.00 0.00 H new ATOM 0 HB3 PHE A 249 -6.782 -11.313 0.258 1.00 0.00 H new ATOM 0 HD1 PHE A 249 -6.040 -13.854 0.749 1.00 0.00 H new ATOM 0 HD2 PHE A 249 -3.988 -11.151 -1.884 1.00 0.00 H new ATOM 0 HE1 PHE A 249 -3.969 -15.197 0.986 1.00 0.00 H new ATOM 0 HE2 PHE A 249 -1.917 -12.495 -1.647 1.00 0.00 H new ATOM 0 HZ PHE A 249 -1.907 -14.516 -0.211 1.00 0.00 H new ATOM 1290 N ILE A 250 -9.223 -10.948 -2.328 1.00 0.00 N ATOM 1291 CA ILE A 250 -10.553 -10.275 -2.229 1.00 0.00 C ATOM 1292 C ILE A 250 -11.440 -10.644 -3.423 1.00 0.00 C ATOM 1293 O ILE A 250 -12.652 -10.629 -3.330 1.00 0.00 O ATOM 1294 CB ILE A 250 -10.241 -8.772 -2.212 1.00 0.00 C ATOM 1295 CG1 ILE A 250 -9.918 -8.339 -0.781 1.00 0.00 C ATOM 1296 CG2 ILE A 250 -11.450 -7.973 -2.712 1.00 0.00 C ATOM 1297 CD1 ILE A 250 -8.461 -7.882 -0.705 1.00 0.00 C ATOM 0 H ILE A 250 -8.683 -10.738 -3.168 1.00 0.00 H new ATOM 0 HA ILE A 250 -11.102 -10.582 -1.339 1.00 0.00 H new ATOM 0 HB ILE A 250 -9.389 -8.581 -2.865 1.00 0.00 H new ATOM 0 HG12 ILE A 250 -10.581 -7.529 -0.476 1.00 0.00 H new ATOM 0 HG13 ILE A 250 -10.087 -9.166 -0.092 1.00 0.00 H new ATOM 0 HG21 ILE A 250 -11.215 -6.909 -2.695 1.00 0.00 H new ATOM 0 HG22 ILE A 250 -11.690 -8.275 -3.731 1.00 0.00 H new ATOM 0 HG23 ILE A 250 -12.306 -8.166 -2.066 1.00 0.00 H new ATOM 0 HD11 ILE A 250 -8.229 -7.573 0.314 1.00 0.00 H new ATOM 0 HD12 ILE A 250 -7.806 -8.705 -0.993 1.00 0.00 H new ATOM 0 HD13 ILE A 250 -8.307 -7.042 -1.382 1.00 0.00 H new ATOM 1309 N ILE A 251 -10.858 -10.968 -4.542 1.00 0.00 N ATOM 1310 CA ILE A 251 -11.688 -11.327 -5.728 1.00 0.00 C ATOM 1311 C ILE A 251 -11.152 -12.609 -6.374 1.00 0.00 C ATOM 1312 O ILE A 251 -10.544 -13.435 -5.722 1.00 0.00 O ATOM 1313 CB ILE A 251 -11.565 -10.142 -6.697 1.00 0.00 C ATOM 1314 CG1 ILE A 251 -11.396 -8.830 -5.919 1.00 0.00 C ATOM 1315 CG2 ILE A 251 -12.834 -10.051 -7.547 1.00 0.00 C ATOM 1316 CD1 ILE A 251 -11.153 -7.682 -6.899 1.00 0.00 C ATOM 0 H ILE A 251 -9.849 -11.000 -4.689 1.00 0.00 H new ATOM 0 HA ILE A 251 -12.727 -11.512 -5.457 1.00 0.00 H new ATOM 0 HB ILE A 251 -10.693 -10.298 -7.332 1.00 0.00 H new ATOM 0 HG12 ILE A 251 -12.287 -8.631 -5.323 1.00 0.00 H new ATOM 0 HG13 ILE A 251 -10.560 -8.912 -5.224 1.00 0.00 H new ATOM 0 HG21 ILE A 251 -12.751 -9.211 -8.236 1.00 0.00 H new ATOM 0 HG22 ILE A 251 -12.960 -10.974 -8.113 1.00 0.00 H new ATOM 0 HG23 ILE A 251 -13.697 -9.903 -6.898 1.00 0.00 H new ATOM 0 HD11 ILE A 251 -11.033 -6.751 -6.346 1.00 0.00 H new ATOM 0 HD12 ILE A 251 -10.249 -7.881 -7.475 1.00 0.00 H new ATOM 0 HD13 ILE A 251 -12.003 -7.595 -7.576 1.00 0.00 H new