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 230 TYR OH : rot -43:sc= -2.6! USER MOD Set 1.2: A 246 CYS SG : rot 180:sc= -3.75 USER MOD Set 2.1: A 185 HIS : no HE2:sc= -7.66! C(o=-9.6!,f=-25!) USER MOD Set 2.2: A 245 TYR OH : rot 136:sc= -1.97! USER MOD Single : A 184 ASN : amide:sc= 0.518 K(o=0.52,f=-5.3!) 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 :FLIP amide:sc= -1.51! F(o=-2,f=-1.5!) USER MOD Single : A 226 THR OG1 : rot -76:sc= 1.33 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= -0.902 K(o=-0.9,f=-6.2!) USER MOD Single : A 240 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 244 ASN : amide:sc= -0.238 X(o=-0.24,f=0) USER MOD Single : A 247 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 248 GLN : amide:sc= -0.183 K(o=-0.18,f=-0.74) USER MOD ----------------------------------------------------------------- ATOM 105 N ILE A 179 5.873 -0.968 -4.002 1.00 0.00 N ATOM 106 CA ILE A 179 5.312 -2.022 -3.108 1.00 0.00 C ATOM 107 C ILE A 179 6.084 -3.336 -3.283 1.00 0.00 C ATOM 108 O ILE A 179 6.348 -3.769 -4.387 1.00 0.00 O ATOM 109 CB ILE A 179 3.835 -2.159 -3.540 1.00 0.00 C ATOM 110 CG1 ILE A 179 2.953 -2.139 -2.295 1.00 0.00 C ATOM 111 CG2 ILE A 179 3.591 -3.470 -4.307 1.00 0.00 C ATOM 112 CD1 ILE A 179 1.482 -2.215 -2.705 1.00 0.00 C ATOM 0 HA ILE A 179 5.394 -1.768 -2.051 1.00 0.00 H new ATOM 0 HB ILE A 179 3.592 -1.327 -4.201 1.00 0.00 H new ATOM 0 HG12 ILE A 179 3.204 -2.978 -1.646 1.00 0.00 H new ATOM 0 HG13 ILE A 179 3.135 -1.229 -1.723 1.00 0.00 H new ATOM 0 HG21 ILE A 179 2.542 -3.533 -4.595 1.00 0.00 H new ATOM 0 HG22 ILE A 179 4.215 -3.490 -5.201 1.00 0.00 H new ATOM 0 HG23 ILE A 179 3.843 -4.317 -3.669 1.00 0.00 H new ATOM 0 HD11 ILE A 179 0.855 -2.201 -1.814 1.00 0.00 H new ATOM 0 HD12 ILE A 179 1.236 -1.361 -3.336 1.00 0.00 H new ATOM 0 HD13 ILE A 179 1.306 -3.138 -3.258 1.00 0.00 H new ATOM 124 N ASP A 180 6.434 -3.982 -2.204 1.00 0.00 N ATOM 125 CA ASP A 180 7.166 -5.270 -2.324 1.00 0.00 C ATOM 126 C ASP A 180 6.183 -6.423 -2.164 1.00 0.00 C ATOM 127 O ASP A 180 6.179 -7.362 -2.935 1.00 0.00 O ATOM 128 CB ASP A 180 8.190 -5.269 -1.187 1.00 0.00 C ATOM 129 CG ASP A 180 9.424 -6.065 -1.612 1.00 0.00 C ATOM 130 OD1 ASP A 180 9.394 -7.279 -1.490 1.00 0.00 O ATOM 131 OD2 ASP A 180 10.381 -5.448 -2.052 1.00 0.00 O ATOM 0 H ASP A 180 6.245 -3.674 -1.250 1.00 0.00 H new ATOM 0 HA ASP A 180 7.654 -5.385 -3.292 1.00 0.00 H new ATOM 0 HB2 ASP A 180 8.472 -4.246 -0.938 1.00 0.00 H new ATOM 0 HB3 ASP A 180 7.753 -5.707 -0.289 1.00 0.00 H new ATOM 136 N ILE A 181 5.344 -6.356 -1.168 1.00 0.00 N ATOM 137 CA ILE A 181 4.361 -7.451 -0.957 1.00 0.00 C ATOM 138 C ILE A 181 3.191 -6.978 -0.085 1.00 0.00 C ATOM 139 O ILE A 181 3.370 -6.289 0.896 1.00 0.00 O ATOM 140 CB ILE A 181 5.152 -8.530 -0.218 1.00 0.00 C ATOM 141 CG1 ILE A 181 6.102 -9.242 -1.181 1.00 0.00 C ATOM 142 CG2 ILE A 181 4.187 -9.553 0.391 1.00 0.00 C ATOM 143 CD1 ILE A 181 6.674 -10.483 -0.497 1.00 0.00 C ATOM 0 H ILE A 181 5.298 -5.592 -0.494 1.00 0.00 H new ATOM 0 HA ILE A 181 3.932 -7.801 -1.896 1.00 0.00 H new ATOM 0 HB ILE A 181 5.733 -8.058 0.574 1.00 0.00 H new ATOM 0 HG12 ILE A 181 5.572 -9.525 -2.091 1.00 0.00 H new ATOM 0 HG13 ILE A 181 6.908 -8.571 -1.478 1.00 0.00 H new ATOM 0 HG21 ILE A 181 4.755 -10.321 0.917 1.00 0.00 H new ATOM 0 HG22 ILE A 181 3.520 -9.051 1.092 1.00 0.00 H new ATOM 0 HG23 ILE A 181 3.599 -10.016 -0.402 1.00 0.00 H new ATOM 0 HD11 ILE A 181 7.352 -10.995 -1.180 1.00 0.00 H new ATOM 0 HD12 ILE A 181 7.218 -10.186 0.400 1.00 0.00 H new ATOM 0 HD13 ILE A 181 5.861 -11.155 -0.223 1.00 0.00 H new ATOM 155 N VAL A 182 1.998 -7.378 -0.423 1.00 0.00 N ATOM 156 CA VAL A 182 0.819 -6.994 0.398 1.00 0.00 C ATOM 157 C VAL A 182 0.625 -8.051 1.494 1.00 0.00 C ATOM 158 O VAL A 182 0.002 -9.073 1.284 1.00 0.00 O ATOM 159 CB VAL A 182 -0.355 -6.980 -0.582 1.00 0.00 C ATOM 160 CG1 VAL A 182 -1.556 -6.290 0.067 1.00 0.00 C ATOM 161 CG2 VAL A 182 0.055 -6.212 -1.841 1.00 0.00 C ATOM 0 H VAL A 182 1.789 -7.957 -1.236 1.00 0.00 H new ATOM 0 HA VAL A 182 0.923 -6.028 0.891 1.00 0.00 H new ATOM 0 HB VAL A 182 -0.626 -8.002 -0.845 1.00 0.00 H new ATOM 0 HG11 VAL A 182 -2.392 -6.281 -0.632 1.00 0.00 H new ATOM 0 HG12 VAL A 182 -1.843 -6.831 0.969 1.00 0.00 H new ATOM 0 HG13 VAL A 182 -1.290 -5.266 0.328 1.00 0.00 H new ATOM 0 HG21 VAL A 182 -0.777 -6.197 -2.545 1.00 0.00 H new ATOM 0 HG22 VAL A 182 0.322 -5.190 -1.573 1.00 0.00 H new ATOM 0 HG23 VAL A 182 0.913 -6.701 -2.303 1.00 0.00 H new ATOM 171 N ILE A 183 1.189 -7.824 2.651 1.00 0.00 N ATOM 172 CA ILE A 183 1.083 -8.822 3.758 1.00 0.00 C ATOM 173 C ILE A 183 -0.377 -9.142 4.091 1.00 0.00 C ATOM 174 O ILE A 183 -0.715 -10.261 4.422 1.00 0.00 O ATOM 175 CB ILE A 183 1.759 -8.156 4.955 1.00 0.00 C ATOM 176 CG1 ILE A 183 3.196 -7.790 4.593 1.00 0.00 C ATOM 177 CG2 ILE A 183 1.774 -9.123 6.138 1.00 0.00 C ATOM 178 CD1 ILE A 183 3.882 -8.997 3.950 1.00 0.00 C ATOM 0 H ILE A 183 1.722 -6.985 2.879 1.00 0.00 H new ATOM 0 HA ILE A 183 1.548 -9.768 3.483 1.00 0.00 H new ATOM 0 HB ILE A 183 1.206 -7.255 5.223 1.00 0.00 H new ATOM 0 HG12 ILE A 183 3.205 -6.944 3.906 1.00 0.00 H new ATOM 0 HG13 ILE A 183 3.740 -7.482 5.486 1.00 0.00 H new ATOM 0 HG21 ILE A 183 2.257 -8.647 6.991 1.00 0.00 H new ATOM 0 HG22 ILE A 183 0.751 -9.390 6.402 1.00 0.00 H new ATOM 0 HG23 ILE A 183 2.325 -10.023 5.865 1.00 0.00 H new ATOM 0 HD11 ILE A 183 4.908 -8.737 3.691 1.00 0.00 H new ATOM 0 HD12 ILE A 183 3.885 -9.831 4.652 1.00 0.00 H new ATOM 0 HD13 ILE A 183 3.342 -9.285 3.048 1.00 0.00 H new ATOM 190 N ASN A 184 -1.240 -8.173 4.022 1.00 0.00 N ATOM 191 CA ASN A 184 -2.669 -8.430 4.351 1.00 0.00 C ATOM 192 C ASN A 184 -3.489 -7.157 4.145 1.00 0.00 C ATOM 193 O ASN A 184 -3.019 -6.191 3.577 1.00 0.00 O ATOM 194 CB ASN A 184 -2.667 -8.836 5.826 1.00 0.00 C ATOM 195 CG ASN A 184 -3.732 -9.909 6.061 1.00 0.00 C ATOM 196 OD1 ASN A 184 -4.829 -9.817 5.547 1.00 0.00 O ATOM 197 ND2 ASN A 184 -3.454 -10.931 6.824 1.00 0.00 N ATOM 0 H ASN A 184 -1.021 -7.214 3.753 1.00 0.00 H new ATOM 0 HA ASN A 184 -3.111 -9.200 3.718 1.00 0.00 H new ATOM 0 HB2 ASN A 184 -1.685 -9.215 6.109 1.00 0.00 H new ATOM 0 HB3 ASN A 184 -2.866 -7.967 6.454 1.00 0.00 H new ATOM 0 HD21 ASN A 184 -4.157 -11.651 6.988 1.00 0.00 H new ATOM 0 HD22 ASN A 184 -2.533 -11.009 7.256 1.00 0.00 H new ATOM 204 N HIS A 185 -4.711 -7.141 4.601 1.00 0.00 N ATOM 205 CA HIS A 185 -5.547 -5.922 4.425 1.00 0.00 C ATOM 206 C HIS A 185 -6.817 -6.009 5.278 1.00 0.00 C ATOM 207 O HIS A 185 -7.129 -7.043 5.836 1.00 0.00 O ATOM 208 CB HIS A 185 -5.894 -5.895 2.932 1.00 0.00 C ATOM 209 CG HIS A 185 -7.033 -6.843 2.651 1.00 0.00 C ATOM 210 ND1 HIS A 185 -6.833 -8.191 2.404 1.00 0.00 N ATOM 211 CD2 HIS A 185 -8.389 -6.646 2.571 1.00 0.00 C ATOM 212 CE1 HIS A 185 -8.038 -8.749 2.187 1.00 0.00 C ATOM 213 NE2 HIS A 185 -9.022 -7.850 2.277 1.00 0.00 N ATOM 0 H HIS A 185 -5.165 -7.916 5.086 1.00 0.00 H new ATOM 0 HA HIS A 185 -5.027 -5.017 4.740 1.00 0.00 H new ATOM 0 HB2 HIS A 185 -6.169 -4.884 2.632 1.00 0.00 H new ATOM 0 HB3 HIS A 185 -5.022 -6.176 2.342 1.00 0.00 H new ATOM 0 HD1 HIS A 185 -5.935 -8.674 2.389 1.00 0.00 H new ATOM 0 HD2 HIS A 185 -8.889 -5.700 2.715 1.00 0.00 H new ATOM 0 HE1 HIS A 185 -8.191 -9.795 1.967 1.00 0.00 H new ATOM 221 N ARG A 186 -7.554 -4.935 5.370 1.00 0.00 N ATOM 222 CA ARG A 186 -8.809 -4.953 6.177 1.00 0.00 C ATOM 223 C ARG A 186 -9.499 -3.588 6.115 1.00 0.00 C ATOM 224 O ARG A 186 -8.938 -2.616 5.651 1.00 0.00 O ATOM 225 CB ARG A 186 -8.363 -5.260 7.606 1.00 0.00 C ATOM 226 CG ARG A 186 -7.592 -4.066 8.170 1.00 0.00 C ATOM 227 CD ARG A 186 -7.420 -4.239 9.680 1.00 0.00 C ATOM 228 NE ARG A 186 -5.961 -4.462 9.879 1.00 0.00 N ATOM 229 CZ ARG A 186 -5.529 -5.614 10.313 1.00 0.00 C ATOM 230 NH1 ARG A 186 -5.639 -6.678 9.564 1.00 0.00 N ATOM 231 NH2 ARG A 186 -4.987 -5.704 11.497 1.00 0.00 N ATOM 0 H ARG A 186 -7.341 -4.044 4.921 1.00 0.00 H new ATOM 0 HA ARG A 186 -9.523 -5.689 5.807 1.00 0.00 H new ATOM 0 HB2 ARG A 186 -9.230 -5.474 8.231 1.00 0.00 H new ATOM 0 HB3 ARG A 186 -7.734 -6.150 7.618 1.00 0.00 H new ATOM 0 HG2 ARG A 186 -6.617 -3.988 7.688 1.00 0.00 H new ATOM 0 HG3 ARG A 186 -8.127 -3.140 7.958 1.00 0.00 H new ATOM 0 HD2 ARG A 186 -7.761 -3.356 10.220 1.00 0.00 H new ATOM 0 HD3 ARG A 186 -8.002 -5.083 10.049 1.00 0.00 H new ATOM 0 HE ARG A 186 -5.299 -3.713 9.676 1.00 0.00 H new ATOM 0 HH11 ARG A 186 -6.063 -6.609 8.639 1.00 0.00 H new ATOM 0 HH12 ARG A 186 -5.301 -7.578 9.904 1.00 0.00 H new ATOM 0 HH21 ARG A 186 -4.901 -4.874 12.083 1.00 0.00 H new ATOM 0 HH22 ARG A 186 -4.649 -6.605 11.836 1.00 0.00 H new ATOM 612 N ASN A 210 -13.129 1.418 0.389 1.00 0.00 N ATOM 613 CA ASN A 210 -13.187 1.402 1.880 1.00 0.00 C ATOM 614 C ASN A 210 -12.379 0.228 2.432 1.00 0.00 C ATOM 615 O ASN A 210 -12.914 -0.671 3.050 1.00 0.00 O ATOM 616 CB ASN A 210 -14.670 1.242 2.214 1.00 0.00 C ATOM 617 CG ASN A 210 -15.358 2.607 2.146 1.00 0.00 C ATOM 618 OD1 ASN A 210 -15.990 2.933 1.161 1.00 0.00 O ATOM 619 ND2 ASN A 210 -15.260 3.426 3.157 1.00 0.00 N ATOM 0 HA ASN A 210 -12.765 2.306 2.320 1.00 0.00 H new ATOM 0 HB2 ASN A 210 -15.139 0.551 1.514 1.00 0.00 H new ATOM 0 HB3 ASN A 210 -14.785 0.814 3.210 1.00 0.00 H new ATOM 0 HD21 ASN A 210 -15.714 4.339 3.120 1.00 0.00 H new ATOM 0 HD22 ASN A 210 -14.730 3.153 3.985 1.00 0.00 H new ATOM 626 N TYR A 211 -11.092 0.226 2.212 1.00 0.00 N ATOM 627 CA TYR A 211 -10.253 -0.896 2.723 1.00 0.00 C ATOM 628 C TYR A 211 -8.778 -0.495 2.789 1.00 0.00 C ATOM 629 O TYR A 211 -8.265 0.178 1.917 1.00 0.00 O ATOM 630 CB TYR A 211 -10.430 -2.013 1.705 1.00 0.00 C ATOM 631 CG TYR A 211 -11.254 -3.127 2.301 1.00 0.00 C ATOM 632 CD1 TYR A 211 -10.642 -4.094 3.107 1.00 0.00 C ATOM 633 CD2 TYR A 211 -12.625 -3.199 2.038 1.00 0.00 C ATOM 634 CE1 TYR A 211 -11.403 -5.132 3.654 1.00 0.00 C ATOM 635 CE2 TYR A 211 -13.388 -4.239 2.583 1.00 0.00 C ATOM 636 CZ TYR A 211 -12.776 -5.206 3.392 1.00 0.00 C ATOM 637 OH TYR A 211 -13.527 -6.232 3.930 1.00 0.00 O ATOM 0 H TYR A 211 -10.586 0.950 1.702 1.00 0.00 H new ATOM 0 HA TYR A 211 -10.550 -1.188 3.730 1.00 0.00 H new ATOM 0 HB2 TYR A 211 -10.918 -1.627 0.810 1.00 0.00 H new ATOM 0 HB3 TYR A 211 -9.456 -2.394 1.398 1.00 0.00 H new ATOM 0 HD1 TYR A 211 -9.582 -4.038 3.306 1.00 0.00 H new ATOM 0 HD2 TYR A 211 -13.096 -2.453 1.415 1.00 0.00 H new ATOM 0 HE1 TYR A 211 -10.931 -5.876 4.278 1.00 0.00 H new ATOM 0 HE2 TYR A 211 -14.447 -4.296 2.380 1.00 0.00 H new ATOM 0 HH TYR A 211 -14.461 -6.135 3.651 1.00 0.00 H new ATOM 647 N GLU A 212 -8.087 -0.935 3.802 1.00 0.00 N ATOM 648 CA GLU A 212 -6.638 -0.619 3.912 1.00 0.00 C ATOM 649 C GLU A 212 -5.840 -1.848 3.473 1.00 0.00 C ATOM 650 O GLU A 212 -6.406 -2.873 3.149 1.00 0.00 O ATOM 651 CB GLU A 212 -6.399 -0.319 5.392 1.00 0.00 C ATOM 652 CG GLU A 212 -6.459 1.192 5.624 1.00 0.00 C ATOM 653 CD GLU A 212 -5.061 1.712 5.962 1.00 0.00 C ATOM 654 OE1 GLU A 212 -4.101 1.101 5.524 1.00 0.00 O ATOM 655 OE2 GLU A 212 -4.974 2.712 6.656 1.00 0.00 O ATOM 0 H GLU A 212 -8.465 -1.502 4.561 1.00 0.00 H new ATOM 0 HA GLU A 212 -6.334 0.222 3.289 1.00 0.00 H new ATOM 0 HB2 GLU A 212 -7.150 -0.821 6.001 1.00 0.00 H new ATOM 0 HB3 GLU A 212 -5.428 -0.706 5.700 1.00 0.00 H new ATOM 0 HG2 GLU A 212 -6.839 1.693 4.734 1.00 0.00 H new ATOM 0 HG3 GLU A 212 -7.149 1.419 6.437 1.00 0.00 H new ATOM 662 N PHE A 213 -4.544 -1.764 3.450 1.00 0.00 N ATOM 663 CA PHE A 213 -3.746 -2.946 3.018 1.00 0.00 C ATOM 664 C PHE A 213 -2.361 -2.928 3.662 1.00 0.00 C ATOM 665 O PHE A 213 -1.644 -1.951 3.573 1.00 0.00 O ATOM 666 CB PHE A 213 -3.601 -2.786 1.503 1.00 0.00 C ATOM 667 CG PHE A 213 -4.911 -3.070 0.814 1.00 0.00 C ATOM 668 CD1 PHE A 213 -5.845 -2.042 0.635 1.00 0.00 C ATOM 669 CD2 PHE A 213 -5.186 -4.357 0.340 1.00 0.00 C ATOM 670 CE1 PHE A 213 -7.054 -2.304 -0.018 1.00 0.00 C ATOM 671 CE2 PHE A 213 -6.397 -4.619 -0.310 1.00 0.00 C ATOM 672 CZ PHE A 213 -7.330 -3.593 -0.489 1.00 0.00 C ATOM 0 H PHE A 213 -4.004 -0.938 3.708 1.00 0.00 H new ATOM 0 HA PHE A 213 -4.225 -3.882 3.305 1.00 0.00 H new ATOM 0 HB2 PHE A 213 -3.272 -1.774 1.268 1.00 0.00 H new ATOM 0 HB3 PHE A 213 -2.833 -3.465 1.132 1.00 0.00 H new ATOM 0 HD1 PHE A 213 -5.632 -1.048 1.001 1.00 0.00 H new ATOM 0 HD2 PHE A 213 -4.464 -5.148 0.476 1.00 0.00 H new ATOM 0 HE1 PHE A 213 -7.774 -1.512 -0.159 1.00 0.00 H new ATOM 0 HE2 PHE A 213 -6.611 -5.613 -0.673 1.00 0.00 H new ATOM 0 HZ PHE A 213 -8.265 -3.795 -0.991 1.00 0.00 H new ATOM 682 N LEU A 214 -1.956 -4.004 4.280 1.00 0.00 N ATOM 683 CA LEU A 214 -0.594 -4.017 4.878 1.00 0.00 C ATOM 684 C LEU A 214 0.410 -4.097 3.741 1.00 0.00 C ATOM 685 O LEU A 214 0.494 -5.086 3.041 1.00 0.00 O ATOM 686 CB LEU A 214 -0.524 -5.268 5.754 1.00 0.00 C ATOM 687 CG LEU A 214 0.719 -5.229 6.659 1.00 0.00 C ATOM 688 CD1 LEU A 214 0.985 -3.813 7.167 1.00 0.00 C ATOM 689 CD2 LEU A 214 0.492 -6.161 7.848 1.00 0.00 C ATOM 0 H LEU A 214 -2.499 -4.860 4.395 1.00 0.00 H new ATOM 0 HA LEU A 214 -0.379 -3.129 5.473 1.00 0.00 H new ATOM 0 HB2 LEU A 214 -1.423 -5.340 6.366 1.00 0.00 H new ATOM 0 HB3 LEU A 214 -0.494 -6.157 5.125 1.00 0.00 H new ATOM 0 HG LEU A 214 1.585 -5.552 6.081 1.00 0.00 H new ATOM 0 HD11 LEU A 214 1.869 -3.815 7.804 1.00 0.00 H new ATOM 0 HD12 LEU A 214 1.150 -3.147 6.320 1.00 0.00 H new ATOM 0 HD13 LEU A 214 0.126 -3.465 7.740 1.00 0.00 H new ATOM 0 HD21 LEU A 214 1.367 -6.142 8.497 1.00 0.00 H new ATOM 0 HD22 LEU A 214 -0.383 -5.830 8.408 1.00 0.00 H new ATOM 0 HD23 LEU A 214 0.329 -7.177 7.488 1.00 0.00 H new ATOM 701 N ILE A 215 1.137 -3.051 3.524 1.00 0.00 N ATOM 702 CA ILE A 215 2.097 -3.054 2.397 1.00 0.00 C ATOM 703 C ILE A 215 3.520 -3.374 2.851 1.00 0.00 C ATOM 704 O ILE A 215 4.189 -2.553 3.449 1.00 0.00 O ATOM 705 CB ILE A 215 2.042 -1.634 1.851 1.00 0.00 C ATOM 706 CG1 ILE A 215 0.587 -1.186 1.692 1.00 0.00 C ATOM 707 CG2 ILE A 215 2.748 -1.595 0.503 1.00 0.00 C ATOM 708 CD1 ILE A 215 -0.174 -2.193 0.836 1.00 0.00 C ATOM 0 H ILE A 215 1.111 -2.193 4.076 1.00 0.00 H new ATOM 0 HA ILE A 215 1.838 -3.816 1.662 1.00 0.00 H new ATOM 0 HB ILE A 215 2.539 -0.957 2.546 1.00 0.00 H new ATOM 0 HG12 ILE A 215 0.115 -1.097 2.671 1.00 0.00 H new ATOM 0 HG13 ILE A 215 0.549 -0.200 1.229 1.00 0.00 H new ATOM 0 HG21 ILE A 215 2.714 -0.581 0.104 1.00 0.00 H new ATOM 0 HG22 ILE A 215 3.787 -1.901 0.627 1.00 0.00 H new ATOM 0 HG23 ILE A 215 2.250 -2.274 -0.189 1.00 0.00 H new ATOM 0 HD11 ILE A 215 -1.209 -1.869 0.726 1.00 0.00 H new ATOM 0 HD12 ILE A 215 0.291 -2.260 -0.147 1.00 0.00 H new ATOM 0 HD13 ILE A 215 -0.149 -3.171 1.316 1.00 0.00 H new ATOM 720 N LYS A 216 4.007 -4.543 2.534 1.00 0.00 N ATOM 721 CA LYS A 216 5.410 -4.874 2.906 1.00 0.00 C ATOM 722 C LYS A 216 6.344 -4.098 1.975 1.00 0.00 C ATOM 723 O LYS A 216 6.584 -4.496 0.851 1.00 0.00 O ATOM 724 CB LYS A 216 5.570 -6.380 2.678 1.00 0.00 C ATOM 725 CG LYS A 216 7.038 -6.770 2.868 1.00 0.00 C ATOM 726 CD LYS A 216 7.197 -8.279 2.660 1.00 0.00 C ATOM 727 CE LYS A 216 7.481 -8.954 4.004 1.00 0.00 C ATOM 728 NZ LYS A 216 7.702 -10.389 3.672 1.00 0.00 N ATOM 0 H LYS A 216 3.499 -5.276 2.039 1.00 0.00 H new ATOM 0 HA LYS A 216 5.643 -4.614 3.938 1.00 0.00 H new ATOM 0 HB2 LYS A 216 4.942 -6.933 3.376 1.00 0.00 H new ATOM 0 HB3 LYS A 216 5.239 -6.644 1.674 1.00 0.00 H new ATOM 0 HG2 LYS A 216 7.664 -6.227 2.160 1.00 0.00 H new ATOM 0 HG3 LYS A 216 7.372 -6.493 3.868 1.00 0.00 H new ATOM 0 HD2 LYS A 216 6.291 -8.693 2.218 1.00 0.00 H new ATOM 0 HD3 LYS A 216 8.011 -8.477 1.963 1.00 0.00 H new ATOM 0 HE2 LYS A 216 8.357 -8.521 4.487 1.00 0.00 H new ATOM 0 HE3 LYS A 216 6.645 -8.832 4.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 216 7.903 -10.920 4.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 216 6.849 -10.776 3.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 216 8.508 -10.474 3.021 1.00 0.00 H new ATOM 742 N TRP A 217 6.854 -2.981 2.409 1.00 0.00 N ATOM 743 CA TRP A 217 7.750 -2.189 1.518 1.00 0.00 C ATOM 744 C TRP A 217 9.170 -2.765 1.543 1.00 0.00 C ATOM 745 O TRP A 217 9.363 -3.960 1.630 1.00 0.00 O ATOM 746 CB TRP A 217 7.726 -0.772 2.088 1.00 0.00 C ATOM 747 CG TRP A 217 6.319 -0.265 2.107 1.00 0.00 C ATOM 748 CD1 TRP A 217 5.480 -0.352 3.166 1.00 0.00 C ATOM 749 CD2 TRP A 217 5.568 0.395 1.043 1.00 0.00 C ATOM 750 NE1 TRP A 217 4.274 0.232 2.829 1.00 0.00 N ATOM 751 CE2 TRP A 217 4.273 0.698 1.529 1.00 0.00 C ATOM 752 CE3 TRP A 217 5.881 0.762 -0.280 1.00 0.00 C ATOM 753 CZ2 TRP A 217 3.321 1.339 0.730 1.00 0.00 C ATOM 754 CZ3 TRP A 217 4.926 1.405 -1.086 1.00 0.00 C ATOM 755 CH2 TRP A 217 3.649 1.692 -0.582 1.00 0.00 C ATOM 0 H TRP A 217 6.692 -2.583 3.334 1.00 0.00 H new ATOM 0 HA TRP A 217 7.423 -2.211 0.478 1.00 0.00 H new ATOM 0 HB2 TRP A 217 8.139 -0.767 3.097 1.00 0.00 H new ATOM 0 HB3 TRP A 217 8.352 -0.115 1.484 1.00 0.00 H new ATOM 0 HD1 TRP A 217 5.715 -0.804 4.118 1.00 0.00 H new ATOM 0 HE1 TRP A 217 3.480 0.310 3.464 1.00 0.00 H new ATOM 0 HE3 TRP A 217 6.862 0.548 -0.678 1.00 0.00 H new ATOM 0 HZ2 TRP A 217 2.340 1.560 1.124 1.00 0.00 H new ATOM 0 HZ3 TRP A 217 5.177 1.680 -2.100 1.00 0.00 H new ATOM 0 HH2 TRP A 217 2.920 2.185 -1.207 1.00 0.00 H new ATOM 871 N ASN A 225 7.125 -2.943 6.968 1.00 0.00 N ATOM 872 CA ASN A 225 5.686 -3.153 6.634 1.00 0.00 C ATOM 873 C ASN A 225 4.822 -2.060 7.264 1.00 0.00 C ATOM 874 O ASN A 225 5.058 -1.622 8.373 1.00 0.00 O ATOM 875 CB ASN A 225 5.334 -4.520 7.224 1.00 0.00 C ATOM 876 CG ASN A 225 6.456 -5.516 6.923 1.00 0.00 C ATOM 877 OD1 ASN A 225 6.255 -6.463 6.046 1.00 0.00 O flip ATOM 878 ND2 ASN A 225 7.526 -5.432 7.490 1.00 0.00 N flip ATOM 0 HA ASN A 225 5.508 -3.113 5.559 1.00 0.00 H new ATOM 0 HB2 ASN A 225 5.189 -4.436 8.301 1.00 0.00 H new ATOM 0 HB3 ASN A 225 4.394 -4.878 6.803 1.00 0.00 H new ATOM 0 HD21 ASN A 225 7.684 -4.693 8.175 1.00 0.00 H new ATOM 0 HD22 ASN A 225 8.268 -6.101 7.282 1.00 0.00 H new ATOM 885 N THR A 226 3.817 -1.623 6.564 1.00 0.00 N ATOM 886 CA THR A 226 2.926 -0.567 7.113 1.00 0.00 C ATOM 887 C THR A 226 1.548 -0.682 6.469 1.00 0.00 C ATOM 888 O THR A 226 1.405 -1.196 5.377 1.00 0.00 O ATOM 889 CB THR A 226 3.588 0.758 6.741 1.00 0.00 C ATOM 890 OG1 THR A 226 3.710 0.846 5.329 1.00 0.00 O ATOM 891 CG2 THR A 226 4.975 0.838 7.381 1.00 0.00 C ATOM 0 H THR A 226 3.573 -1.953 5.630 1.00 0.00 H new ATOM 0 HA THR A 226 2.791 -0.652 8.191 1.00 0.00 H new ATOM 0 HB THR A 226 2.976 1.583 7.105 1.00 0.00 H new ATOM 0 HG1 THR A 226 4.444 0.270 5.028 1.00 0.00 H new ATOM 0 HG21 THR A 226 5.445 1.784 7.114 1.00 0.00 H new ATOM 0 HG22 THR A 226 4.880 0.773 8.465 1.00 0.00 H new ATOM 0 HG23 THR A 226 5.590 0.013 7.021 1.00 0.00 H new ATOM 899 N TRP A 227 0.530 -0.224 7.135 1.00 0.00 N ATOM 900 CA TRP A 227 -0.834 -0.327 6.555 1.00 0.00 C ATOM 901 C TRP A 227 -1.182 0.937 5.769 1.00 0.00 C ATOM 902 O TRP A 227 -1.557 1.949 6.328 1.00 0.00 O ATOM 903 CB TRP A 227 -1.751 -0.504 7.760 1.00 0.00 C ATOM 904 CG TRP A 227 -1.673 -1.928 8.197 1.00 0.00 C ATOM 905 CD1 TRP A 227 -0.696 -2.451 8.975 1.00 0.00 C ATOM 906 CD2 TRP A 227 -2.572 -3.023 7.875 1.00 0.00 C ATOM 907 NE1 TRP A 227 -0.946 -3.799 9.155 1.00 0.00 N ATOM 908 CE2 TRP A 227 -2.093 -4.197 8.498 1.00 0.00 C ATOM 909 CE3 TRP A 227 -3.750 -3.110 7.112 1.00 0.00 C ATOM 910 CZ2 TRP A 227 -2.756 -5.415 8.367 1.00 0.00 C ATOM 911 CZ3 TRP A 227 -4.420 -4.337 6.977 1.00 0.00 C ATOM 912 CH2 TRP A 227 -3.921 -5.487 7.606 1.00 0.00 C ATOM 0 H TRP A 227 0.582 0.216 8.054 1.00 0.00 H new ATOM 0 HA TRP A 227 -0.928 -1.153 5.850 1.00 0.00 H new ATOM 0 HB2 TRP A 227 -1.448 0.160 8.570 1.00 0.00 H new ATOM 0 HB3 TRP A 227 -2.776 -0.241 7.500 1.00 0.00 H new ATOM 0 HD1 TRP A 227 0.140 -1.906 9.387 1.00 0.00 H new ATOM 0 HE1 TRP A 227 -0.356 -4.423 9.705 1.00 0.00 H new ATOM 0 HE3 TRP A 227 -4.142 -2.228 6.627 1.00 0.00 H new ATOM 0 HZ2 TRP A 227 -2.369 -6.299 8.853 1.00 0.00 H new ATOM 0 HZ3 TRP A 227 -5.323 -4.395 6.387 1.00 0.00 H new ATOM 0 HH2 TRP A 227 -4.440 -6.428 7.501 1.00 0.00 H new ATOM 923 N GLU A 228 -1.059 0.880 4.472 1.00 0.00 N ATOM 924 CA GLU A 228 -1.378 2.071 3.637 1.00 0.00 C ATOM 925 C GLU A 228 -2.754 1.907 2.984 1.00 0.00 C ATOM 926 O GLU A 228 -3.485 0.981 3.273 1.00 0.00 O ATOM 927 CB GLU A 228 -0.282 2.110 2.573 1.00 0.00 C ATOM 928 CG GLU A 228 1.089 2.140 3.252 1.00 0.00 C ATOM 929 CD GLU A 228 1.769 3.481 2.972 1.00 0.00 C ATOM 930 OE1 GLU A 228 1.808 3.874 1.818 1.00 0.00 O ATOM 931 OE2 GLU A 228 2.240 4.093 3.917 1.00 0.00 O ATOM 0 H GLU A 228 -0.750 0.058 3.953 1.00 0.00 H new ATOM 0 HA GLU A 228 -1.413 2.990 4.223 1.00 0.00 H new ATOM 0 HB2 GLU A 228 -0.359 1.237 1.924 1.00 0.00 H new ATOM 0 HB3 GLU A 228 -0.406 2.989 1.941 1.00 0.00 H new ATOM 0 HG2 GLU A 228 0.978 1.994 4.326 1.00 0.00 H new ATOM 0 HG3 GLU A 228 1.708 1.322 2.882 1.00 0.00 H new ATOM 938 N THR A 229 -3.105 2.797 2.098 1.00 0.00 N ATOM 939 CA THR A 229 -4.424 2.694 1.414 1.00 0.00 C ATOM 940 C THR A 229 -4.256 3.044 -0.061 1.00 0.00 C ATOM 941 O THR A 229 -3.388 3.810 -0.430 1.00 0.00 O ATOM 942 CB THR A 229 -5.320 3.726 2.097 1.00 0.00 C ATOM 943 OG1 THR A 229 -4.665 4.987 2.106 1.00 0.00 O ATOM 944 CG2 THR A 229 -5.610 3.286 3.531 1.00 0.00 C ATOM 0 H THR A 229 -2.533 3.594 1.817 1.00 0.00 H new ATOM 0 HA THR A 229 -4.846 1.691 1.477 1.00 0.00 H new ATOM 0 HB THR A 229 -6.260 3.809 1.551 1.00 0.00 H new ATOM 0 HG1 THR A 229 -5.239 5.651 2.542 1.00 0.00 H new ATOM 0 HG21 THR A 229 -6.249 4.024 4.016 1.00 0.00 H new ATOM 0 HG22 THR A 229 -6.115 2.320 3.520 1.00 0.00 H new ATOM 0 HG23 THR A 229 -4.673 3.200 4.082 1.00 0.00 H new ATOM 952 N TYR A 230 -5.071 2.496 -0.910 1.00 0.00 N ATOM 953 CA TYR A 230 -4.937 2.807 -2.356 1.00 0.00 C ATOM 954 C TYR A 230 -4.796 4.317 -2.558 1.00 0.00 C ATOM 955 O TYR A 230 -4.156 4.774 -3.484 1.00 0.00 O ATOM 956 CB TYR A 230 -6.231 2.304 -2.996 1.00 0.00 C ATOM 957 CG TYR A 230 -5.991 0.979 -3.678 1.00 0.00 C ATOM 958 CD1 TYR A 230 -5.084 0.889 -4.740 1.00 0.00 C ATOM 959 CD2 TYR A 230 -6.686 -0.159 -3.251 1.00 0.00 C ATOM 960 CE1 TYR A 230 -4.871 -0.341 -5.376 1.00 0.00 C ATOM 961 CE2 TYR A 230 -6.474 -1.388 -3.888 1.00 0.00 C ATOM 962 CZ TYR A 230 -5.566 -1.479 -4.950 1.00 0.00 C ATOM 963 OH TYR A 230 -5.359 -2.689 -5.580 1.00 0.00 O ATOM 0 H TYR A 230 -5.821 1.849 -0.668 1.00 0.00 H new ATOM 0 HA TYR A 230 -4.057 2.339 -2.797 1.00 0.00 H new ATOM 0 HB2 TYR A 230 -7.004 2.196 -2.235 1.00 0.00 H new ATOM 0 HB3 TYR A 230 -6.596 3.033 -3.719 1.00 0.00 H new ATOM 0 HD1 TYR A 230 -4.549 1.767 -5.069 1.00 0.00 H new ATOM 0 HD2 TYR A 230 -7.385 -0.089 -2.431 1.00 0.00 H new ATOM 0 HE1 TYR A 230 -4.171 -0.411 -6.195 1.00 0.00 H new ATOM 0 HE2 TYR A 230 -7.011 -2.266 -3.560 1.00 0.00 H new ATOM 0 HH TYR A 230 -5.325 -2.551 -6.550 1.00 0.00 H new ATOM 973 N GLU A 231 -5.392 5.095 -1.700 1.00 0.00 N ATOM 974 CA GLU A 231 -5.298 6.576 -1.842 1.00 0.00 C ATOM 975 C GLU A 231 -3.860 7.042 -1.598 1.00 0.00 C ATOM 976 O GLU A 231 -3.524 8.189 -1.816 1.00 0.00 O ATOM 977 CB GLU A 231 -6.233 7.134 -0.768 1.00 0.00 C ATOM 978 CG GLU A 231 -6.725 8.521 -1.185 1.00 0.00 C ATOM 979 CD GLU A 231 -8.214 8.651 -0.858 1.00 0.00 C ATOM 980 OE1 GLU A 231 -8.528 8.952 0.281 1.00 0.00 O ATOM 981 OE2 GLU A 231 -9.016 8.446 -1.754 1.00 0.00 O ATOM 0 H GLU A 231 -5.942 4.770 -0.905 1.00 0.00 H new ATOM 0 HA GLU A 231 -5.574 6.914 -2.841 1.00 0.00 H new ATOM 0 HB2 GLU A 231 -7.081 6.464 -0.626 1.00 0.00 H new ATOM 0 HB3 GLU A 231 -5.711 7.194 0.187 1.00 0.00 H new ATOM 0 HG2 GLU A 231 -6.158 9.292 -0.663 1.00 0.00 H new ATOM 0 HG3 GLU A 231 -6.561 8.672 -2.252 1.00 0.00 H new ATOM 988 N SER A 232 -3.011 6.163 -1.144 1.00 0.00 N ATOM 989 CA SER A 232 -1.596 6.564 -0.882 1.00 0.00 C ATOM 990 C SER A 232 -0.621 5.570 -1.521 1.00 0.00 C ATOM 991 O SER A 232 0.539 5.871 -1.726 1.00 0.00 O ATOM 992 CB SER A 232 -1.458 6.546 0.639 1.00 0.00 C ATOM 993 OG SER A 232 -0.206 5.970 0.989 1.00 0.00 O ATOM 0 H SER A 232 -3.232 5.188 -0.943 1.00 0.00 H new ATOM 0 HA SER A 232 -1.364 7.541 -1.306 1.00 0.00 H new ATOM 0 HB2 SER A 232 -1.529 7.559 1.034 1.00 0.00 H new ATOM 0 HB3 SER A 232 -2.272 5.973 1.083 1.00 0.00 H new ATOM 0 HG SER A 232 -0.113 5.958 1.964 1.00 0.00 H new ATOM 999 N ILE A 233 -1.075 4.388 -1.837 1.00 0.00 N ATOM 1000 CA ILE A 233 -0.165 3.381 -2.461 1.00 0.00 C ATOM 1001 C ILE A 233 -0.612 3.111 -3.904 1.00 0.00 C ATOM 1002 O ILE A 233 -0.122 2.214 -4.559 1.00 0.00 O ATOM 1003 CB ILE A 233 -0.247 2.104 -1.571 1.00 0.00 C ATOM 1004 CG1 ILE A 233 -0.509 0.855 -2.426 1.00 0.00 C ATOM 1005 CG2 ILE A 233 -1.361 2.221 -0.524 1.00 0.00 C ATOM 1006 CD1 ILE A 233 -0.793 -0.339 -1.511 1.00 0.00 C ATOM 0 H ILE A 233 -2.035 4.075 -1.691 1.00 0.00 H new ATOM 0 HA ILE A 233 0.867 3.729 -2.513 1.00 0.00 H new ATOM 0 HB ILE A 233 0.714 2.010 -1.065 1.00 0.00 H new ATOM 0 HG12 ILE A 233 -1.356 1.027 -3.091 1.00 0.00 H new ATOM 0 HG13 ILE A 233 0.354 0.646 -3.057 1.00 0.00 H new ATOM 0 HG21 ILE A 233 -1.390 1.314 0.079 1.00 0.00 H new ATOM 0 HG22 ILE A 233 -1.166 3.079 0.120 1.00 0.00 H new ATOM 0 HG23 ILE A 233 -2.319 2.354 -1.026 1.00 0.00 H new ATOM 0 HD11 ILE A 233 -0.979 -1.226 -2.117 1.00 0.00 H new ATOM 0 HD12 ILE A 233 0.067 -0.515 -0.865 1.00 0.00 H new ATOM 0 HD13 ILE A 233 -1.670 -0.128 -0.899 1.00 0.00 H new ATOM 1018 N GLY A 234 -1.535 3.883 -4.402 1.00 0.00 N ATOM 1019 CA GLY A 234 -2.007 3.665 -5.797 1.00 0.00 C ATOM 1020 C GLY A 234 -1.150 4.483 -6.768 1.00 0.00 C ATOM 1021 O GLY A 234 -1.659 5.265 -7.546 1.00 0.00 O ATOM 0 H GLY A 234 -1.982 4.654 -3.906 1.00 0.00 H new ATOM 0 HA2 GLY A 234 -1.949 2.606 -6.049 1.00 0.00 H new ATOM 0 HA3 GLY A 234 -3.053 3.957 -5.886 1.00 0.00 H new ATOM 1025 N GLN A 235 0.146 4.310 -6.735 1.00 0.00 N ATOM 1026 CA GLN A 235 1.016 5.085 -7.669 1.00 0.00 C ATOM 1027 C GLN A 235 2.493 4.718 -7.474 1.00 0.00 C ATOM 1028 O GLN A 235 3.374 5.541 -7.625 1.00 0.00 O ATOM 1029 CB GLN A 235 0.777 6.551 -7.304 1.00 0.00 C ATOM 1030 CG GLN A 235 0.983 6.740 -5.800 1.00 0.00 C ATOM 1031 CD GLN A 235 -0.257 7.399 -5.194 1.00 0.00 C ATOM 1032 OE1 GLN A 235 -1.355 6.901 -5.338 1.00 0.00 O ATOM 1033 NE2 GLN A 235 -0.127 8.508 -4.519 1.00 0.00 N ATOM 0 H GLN A 235 0.636 3.672 -6.108 1.00 0.00 H new ATOM 0 HA GLN A 235 0.781 4.874 -8.712 1.00 0.00 H new ATOM 0 HB2 GLN A 235 1.462 7.192 -7.859 1.00 0.00 H new ATOM 0 HB3 GLN A 235 -0.234 6.847 -7.584 1.00 0.00 H new ATOM 0 HG2 GLN A 235 1.166 5.777 -5.323 1.00 0.00 H new ATOM 0 HG3 GLN A 235 1.862 7.358 -5.617 1.00 0.00 H new ATOM 0 HE21 GLN A 235 0.795 8.926 -4.398 1.00 0.00 H new ATOM 0 HE22 GLN A 235 -0.948 8.957 -4.112 1.00 0.00 H new ATOM 1042 N VAL A 236 2.768 3.485 -7.151 1.00 0.00 N ATOM 1043 CA VAL A 236 4.186 3.054 -6.957 1.00 0.00 C ATOM 1044 C VAL A 236 4.284 1.547 -7.178 1.00 0.00 C ATOM 1045 O VAL A 236 4.915 0.836 -6.421 1.00 0.00 O ATOM 1046 CB VAL A 236 4.520 3.400 -5.506 1.00 0.00 C ATOM 1047 CG1 VAL A 236 4.498 4.915 -5.320 1.00 0.00 C ATOM 1048 CG2 VAL A 236 3.484 2.759 -4.578 1.00 0.00 C ATOM 0 H VAL A 236 2.071 2.753 -7.012 1.00 0.00 H new ATOM 0 HA VAL A 236 4.871 3.540 -7.651 1.00 0.00 H new ATOM 0 HB VAL A 236 5.513 3.021 -5.264 1.00 0.00 H new ATOM 0 HG11 VAL A 236 4.736 5.158 -4.285 1.00 0.00 H new ATOM 0 HG12 VAL A 236 5.235 5.373 -5.979 1.00 0.00 H new ATOM 0 HG13 VAL A 236 3.507 5.297 -5.563 1.00 0.00 H new ATOM 0 HG21 VAL A 236 3.721 3.005 -3.543 1.00 0.00 H new ATOM 0 HG22 VAL A 236 2.492 3.138 -4.823 1.00 0.00 H new ATOM 0 HG23 VAL A 236 3.501 1.677 -4.707 1.00 0.00 H new ATOM 1058 N ARG A 237 3.636 1.052 -8.197 1.00 0.00 N ATOM 1059 CA ARG A 237 3.656 -0.415 -8.459 1.00 0.00 C ATOM 1060 C ARG A 237 2.820 -1.131 -7.394 1.00 0.00 C ATOM 1061 O ARG A 237 2.705 -2.345 -7.386 1.00 0.00 O ATOM 1062 CB ARG A 237 5.125 -0.830 -8.368 1.00 0.00 C ATOM 1063 CG ARG A 237 5.372 -2.015 -9.305 1.00 0.00 C ATOM 1064 CD ARG A 237 6.852 -2.072 -9.685 1.00 0.00 C ATOM 1065 NE ARG A 237 7.434 -3.114 -8.796 1.00 0.00 N ATOM 1066 CZ ARG A 237 8.108 -4.108 -9.307 1.00 0.00 C ATOM 1067 NH1 ARG A 237 7.532 -4.926 -10.143 1.00 0.00 N ATOM 1068 NH2 ARG A 237 9.360 -4.282 -8.983 1.00 0.00 N ATOM 0 H ARG A 237 3.092 1.602 -8.861 1.00 0.00 H new ATOM 0 HA ARG A 237 3.236 -0.672 -9.432 1.00 0.00 H new ATOM 0 HB2 ARG A 237 5.769 0.006 -8.642 1.00 0.00 H new ATOM 0 HB3 ARG A 237 5.375 -1.103 -7.343 1.00 0.00 H new ATOM 0 HG2 ARG A 237 5.076 -2.944 -8.818 1.00 0.00 H new ATOM 0 HG3 ARG A 237 4.760 -1.916 -10.202 1.00 0.00 H new ATOM 0 HD2 ARG A 237 6.981 -2.332 -10.736 1.00 0.00 H new ATOM 0 HD3 ARG A 237 7.337 -1.107 -9.534 1.00 0.00 H new ATOM 0 HE ARG A 237 7.306 -3.051 -7.786 1.00 0.00 H new ATOM 0 HH11 ARG A 237 6.554 -4.789 -10.398 1.00 0.00 H new ATOM 0 HH12 ARG A 237 8.059 -5.703 -10.542 1.00 0.00 H new ATOM 0 HH21 ARG A 237 9.812 -3.641 -8.330 1.00 0.00 H new ATOM 0 HH22 ARG A 237 9.887 -5.059 -9.382 1.00 0.00 H new ATOM 1082 N GLY A 238 2.223 -0.385 -6.501 1.00 0.00 N ATOM 1083 CA GLY A 238 1.387 -1.010 -5.446 1.00 0.00 C ATOM 1084 C GLY A 238 0.160 -1.627 -6.100 1.00 0.00 C ATOM 1085 O GLY A 238 -0.066 -2.815 -6.018 1.00 0.00 O ATOM 0 H GLY A 238 2.282 0.633 -6.461 1.00 0.00 H new ATOM 0 HA2 GLY A 238 1.956 -1.773 -4.915 1.00 0.00 H new ATOM 0 HA3 GLY A 238 1.088 -0.264 -4.709 1.00 0.00 H new ATOM 1089 N LEU A 239 -0.626 -0.829 -6.762 1.00 0.00 N ATOM 1090 CA LEU A 239 -1.836 -1.373 -7.433 1.00 0.00 C ATOM 1091 C LEU A 239 -1.494 -2.684 -8.138 1.00 0.00 C ATOM 1092 O LEU A 239 -2.307 -3.576 -8.226 1.00 0.00 O ATOM 1093 CB LEU A 239 -2.238 -0.302 -8.452 1.00 0.00 C ATOM 1094 CG LEU A 239 -2.656 0.975 -7.724 1.00 0.00 C ATOM 1095 CD1 LEU A 239 -1.902 2.166 -8.318 1.00 0.00 C ATOM 1096 CD2 LEU A 239 -4.160 1.190 -7.898 1.00 0.00 C ATOM 0 H LEU A 239 -0.483 0.175 -6.868 1.00 0.00 H new ATOM 0 HA LEU A 239 -2.642 -1.588 -6.731 1.00 0.00 H new ATOM 0 HB2 LEU A 239 -1.404 -0.093 -9.122 1.00 0.00 H new ATOM 0 HB3 LEU A 239 -3.060 -0.665 -9.070 1.00 0.00 H new ATOM 0 HG LEU A 239 -2.421 0.884 -6.664 1.00 0.00 H new ATOM 0 HD11 LEU A 239 -2.198 3.079 -7.801 1.00 0.00 H new ATOM 0 HD12 LEU A 239 -0.829 2.013 -8.199 1.00 0.00 H new ATOM 0 HD13 LEU A 239 -2.141 2.256 -9.378 1.00 0.00 H new ATOM 0 HD21 LEU A 239 -4.460 2.101 -7.379 1.00 0.00 H new ATOM 0 HD22 LEU A 239 -4.394 1.283 -8.959 1.00 0.00 H new ATOM 0 HD23 LEU A 239 -4.700 0.340 -7.480 1.00 0.00 H new ATOM 1108 N LYS A 240 -0.296 -2.812 -8.633 1.00 0.00 N ATOM 1109 CA LYS A 240 0.087 -4.076 -9.324 1.00 0.00 C ATOM 1110 C LYS A 240 0.102 -5.232 -8.326 1.00 0.00 C ATOM 1111 O LYS A 240 -0.644 -6.183 -8.452 1.00 0.00 O ATOM 1112 CB LYS A 240 1.490 -3.826 -9.867 1.00 0.00 C ATOM 1113 CG LYS A 240 1.934 -5.021 -10.712 1.00 0.00 C ATOM 1114 CD LYS A 240 0.958 -5.216 -11.873 1.00 0.00 C ATOM 1115 CE LYS A 240 1.715 -5.115 -13.200 1.00 0.00 C ATOM 1116 NZ LYS A 240 1.464 -6.413 -13.885 1.00 0.00 N ATOM 0 H LYS A 240 0.433 -2.100 -8.590 1.00 0.00 H new ATOM 0 HA LYS A 240 -0.613 -4.341 -10.116 1.00 0.00 H new ATOM 0 HB2 LYS A 240 1.501 -2.918 -10.469 1.00 0.00 H new ATOM 0 HB3 LYS A 240 2.187 -3.671 -9.044 1.00 0.00 H new ATOM 0 HG2 LYS A 240 2.941 -4.856 -11.094 1.00 0.00 H new ATOM 0 HG3 LYS A 240 1.970 -5.921 -10.098 1.00 0.00 H new ATOM 0 HD2 LYS A 240 0.471 -6.188 -11.793 1.00 0.00 H new ATOM 0 HD3 LYS A 240 0.172 -4.462 -11.832 1.00 0.00 H new ATOM 0 HE2 LYS A 240 1.355 -4.277 -13.797 1.00 0.00 H new ATOM 0 HE3 LYS A 240 2.781 -4.955 -13.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 240 1.951 -6.421 -14.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 240 1.823 -7.191 -13.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 240 0.442 -6.535 -14.034 1.00 0.00 H new ATOM 1130 N ARG A 241 0.935 -5.155 -7.326 1.00 0.00 N ATOM 1131 CA ARG A 241 0.973 -6.253 -6.319 1.00 0.00 C ATOM 1132 C ARG A 241 -0.298 -6.192 -5.476 1.00 0.00 C ATOM 1133 O ARG A 241 -0.745 -7.177 -4.924 1.00 0.00 O ATOM 1134 CB ARG A 241 2.212 -5.980 -5.467 1.00 0.00 C ATOM 1135 CG ARG A 241 3.386 -5.628 -6.382 1.00 0.00 C ATOM 1136 CD ARG A 241 4.655 -6.314 -5.871 1.00 0.00 C ATOM 1137 NE ARG A 241 5.051 -7.248 -6.960 1.00 0.00 N ATOM 1138 CZ ARG A 241 4.500 -8.428 -7.042 1.00 0.00 C ATOM 1139 NH1 ARG A 241 3.287 -8.552 -7.510 1.00 0.00 N ATOM 1140 NH2 ARG A 241 5.161 -9.484 -6.654 1.00 0.00 N ATOM 0 H ARG A 241 1.586 -4.387 -7.162 1.00 0.00 H new ATOM 0 HA ARG A 241 1.022 -7.244 -6.769 1.00 0.00 H new ATOM 0 HB2 ARG A 241 2.018 -5.161 -4.774 1.00 0.00 H new ATOM 0 HB3 ARG A 241 2.454 -6.856 -4.866 1.00 0.00 H new ATOM 0 HG2 ARG A 241 3.174 -5.946 -7.403 1.00 0.00 H new ATOM 0 HG3 ARG A 241 3.529 -4.548 -6.408 1.00 0.00 H new ATOM 0 HD2 ARG A 241 5.442 -5.588 -5.668 1.00 0.00 H new ATOM 0 HD3 ARG A 241 4.467 -6.849 -4.940 1.00 0.00 H new ATOM 0 HE ARG A 241 5.754 -6.965 -7.643 1.00 0.00 H new ATOM 0 HH11 ARG A 241 2.770 -7.726 -7.812 1.00 0.00 H new ATOM 0 HH12 ARG A 241 2.857 -9.475 -7.574 1.00 0.00 H new ATOM 0 HH21 ARG A 241 6.108 -9.387 -6.287 1.00 0.00 H new ATOM 0 HH22 ARG A 241 4.731 -10.407 -6.718 1.00 0.00 H new ATOM 1154 N LEU A 242 -0.895 -5.034 -5.403 1.00 0.00 N ATOM 1155 CA LEU A 242 -2.156 -4.881 -4.633 1.00 0.00 C ATOM 1156 C LEU A 242 -3.295 -5.463 -5.459 1.00 0.00 C ATOM 1157 O LEU A 242 -4.224 -6.050 -4.940 1.00 0.00 O ATOM 1158 CB LEU A 242 -2.322 -3.366 -4.474 1.00 0.00 C ATOM 1159 CG LEU A 242 -3.164 -3.044 -3.239 1.00 0.00 C ATOM 1160 CD1 LEU A 242 -4.382 -3.964 -3.192 1.00 0.00 C ATOM 1161 CD2 LEU A 242 -2.321 -3.238 -1.976 1.00 0.00 C ATOM 0 H LEU A 242 -0.558 -4.181 -5.849 1.00 0.00 H new ATOM 0 HA LEU A 242 -2.148 -5.388 -3.668 1.00 0.00 H new ATOM 0 HB2 LEU A 242 -1.343 -2.895 -4.387 1.00 0.00 H new ATOM 0 HB3 LEU A 242 -2.797 -2.951 -5.363 1.00 0.00 H new ATOM 0 HG LEU A 242 -3.499 -2.008 -3.292 1.00 0.00 H new ATOM 0 HD11 LEU A 242 -4.980 -3.732 -2.311 1.00 0.00 H new ATOM 0 HD12 LEU A 242 -4.984 -3.816 -4.088 1.00 0.00 H new ATOM 0 HD13 LEU A 242 -4.052 -5.002 -3.144 1.00 0.00 H new ATOM 0 HD21 LEU A 242 -2.924 -3.008 -1.097 1.00 0.00 H new ATOM 0 HD22 LEU A 242 -1.980 -4.272 -1.921 1.00 0.00 H new ATOM 0 HD23 LEU A 242 -1.458 -2.573 -2.009 1.00 0.00 H new ATOM 1173 N ASP A 243 -3.214 -5.319 -6.753 1.00 0.00 N ATOM 1174 CA ASP A 243 -4.282 -5.882 -7.627 1.00 0.00 C ATOM 1175 C ASP A 243 -4.211 -7.404 -7.565 1.00 0.00 C ATOM 1176 O ASP A 243 -5.210 -8.079 -7.399 1.00 0.00 O ATOM 1177 CB ASP A 243 -3.971 -5.386 -9.039 1.00 0.00 C ATOM 1178 CG ASP A 243 -4.606 -4.009 -9.249 1.00 0.00 C ATOM 1179 OD1 ASP A 243 -5.099 -3.453 -8.281 1.00 0.00 O ATOM 1180 OD2 ASP A 243 -4.586 -3.534 -10.372 1.00 0.00 O ATOM 0 H ASP A 243 -2.458 -4.838 -7.241 1.00 0.00 H new ATOM 0 HA ASP A 243 -5.282 -5.576 -7.320 1.00 0.00 H new ATOM 0 HB2 ASP A 243 -2.893 -5.327 -9.186 1.00 0.00 H new ATOM 0 HB3 ASP A 243 -4.355 -6.091 -9.776 1.00 0.00 H new ATOM 1185 N ASN A 244 -3.031 -7.950 -7.680 1.00 0.00 N ATOM 1186 CA ASN A 244 -2.894 -9.430 -7.610 1.00 0.00 C ATOM 1187 C ASN A 244 -3.175 -9.899 -6.182 1.00 0.00 C ATOM 1188 O ASN A 244 -3.511 -11.045 -5.950 1.00 0.00 O ATOM 1189 CB ASN A 244 -1.445 -9.720 -8.002 1.00 0.00 C ATOM 1190 CG ASN A 244 -1.251 -11.230 -8.158 1.00 0.00 C ATOM 1191 OD1 ASN A 244 -0.587 -11.855 -7.355 1.00 0.00 O ATOM 1192 ND2 ASN A 244 -1.809 -11.846 -9.163 1.00 0.00 N ATOM 0 H ASN A 244 -2.160 -7.437 -7.819 1.00 0.00 H new ATOM 0 HA ASN A 244 -3.593 -9.948 -8.266 1.00 0.00 H new ATOM 0 HB2 ASN A 244 -1.201 -9.213 -8.936 1.00 0.00 H new ATOM 0 HB3 ASN A 244 -0.767 -9.332 -7.242 1.00 0.00 H new ATOM 0 HD21 ASN A 244 -1.688 -12.853 -9.275 1.00 0.00 H new ATOM 0 HD22 ASN A 244 -2.366 -11.321 -9.837 1.00 0.00 H new ATOM 1199 N TYR A 245 -3.060 -9.023 -5.219 1.00 0.00 N ATOM 1200 CA TYR A 245 -3.348 -9.435 -3.823 1.00 0.00 C ATOM 1201 C TYR A 245 -4.855 -9.390 -3.603 1.00 0.00 C ATOM 1202 O TYR A 245 -5.437 -10.274 -3.006 1.00 0.00 O ATOM 1203 CB TYR A 245 -2.654 -8.413 -2.926 1.00 0.00 C ATOM 1204 CG TYR A 245 -3.151 -8.611 -1.517 1.00 0.00 C ATOM 1205 CD1 TYR A 245 -4.334 -7.990 -1.100 1.00 0.00 C ATOM 1206 CD2 TYR A 245 -2.444 -9.436 -0.635 1.00 0.00 C ATOM 1207 CE1 TYR A 245 -4.809 -8.195 0.199 1.00 0.00 C ATOM 1208 CE2 TYR A 245 -2.917 -9.636 0.666 1.00 0.00 C ATOM 1209 CZ TYR A 245 -4.101 -9.017 1.082 1.00 0.00 C ATOM 1210 OH TYR A 245 -4.577 -9.221 2.359 1.00 0.00 O ATOM 0 H TYR A 245 -2.781 -8.049 -5.341 1.00 0.00 H new ATOM 0 HA TYR A 245 -2.996 -10.444 -3.607 1.00 0.00 H new ATOM 0 HB2 TYR A 245 -1.572 -8.541 -2.969 1.00 0.00 H new ATOM 0 HB3 TYR A 245 -2.869 -7.400 -3.266 1.00 0.00 H new ATOM 0 HD1 TYR A 245 -4.879 -7.353 -1.781 1.00 0.00 H new ATOM 0 HD2 TYR A 245 -1.533 -9.918 -0.959 1.00 0.00 H new ATOM 0 HE1 TYR A 245 -5.723 -7.718 0.521 1.00 0.00 H new ATOM 0 HE2 TYR A 245 -2.369 -10.268 1.349 1.00 0.00 H new ATOM 0 HH TYR A 245 -4.505 -10.171 2.587 1.00 0.00 H new ATOM 1220 N CYS A 246 -5.490 -8.364 -4.096 1.00 0.00 N ATOM 1221 CA CYS A 246 -6.960 -8.256 -3.934 1.00 0.00 C ATOM 1222 C CYS A 246 -7.631 -9.397 -4.694 1.00 0.00 C ATOM 1223 O CYS A 246 -8.663 -9.896 -4.303 1.00 0.00 O ATOM 1224 CB CYS A 246 -7.332 -6.905 -4.545 1.00 0.00 C ATOM 1225 SG CYS A 246 -7.090 -5.601 -3.314 1.00 0.00 S ATOM 0 H CYS A 246 -5.051 -7.596 -4.604 1.00 0.00 H new ATOM 0 HA CYS A 246 -7.279 -8.321 -2.894 1.00 0.00 H new ATOM 0 HB2 CYS A 246 -6.717 -6.709 -5.424 1.00 0.00 H new ATOM 0 HB3 CYS A 246 -8.370 -6.918 -4.878 1.00 0.00 H new ATOM 0 HG CYS A 246 -7.404 -4.451 -3.832 1.00 0.00 H new ATOM 1231 N LYS A 247 -7.040 -9.823 -5.773 1.00 0.00 N ATOM 1232 CA LYS A 247 -7.637 -10.944 -6.546 1.00 0.00 C ATOM 1233 C LYS A 247 -7.267 -12.271 -5.878 1.00 0.00 C ATOM 1234 O LYS A 247 -7.973 -13.254 -5.985 1.00 0.00 O ATOM 1235 CB LYS A 247 -7.038 -10.825 -7.959 1.00 0.00 C ATOM 1236 CG LYS A 247 -5.700 -11.570 -8.042 1.00 0.00 C ATOM 1237 CD LYS A 247 -5.217 -11.592 -9.495 1.00 0.00 C ATOM 1238 CE LYS A 247 -6.315 -12.167 -10.393 1.00 0.00 C ATOM 1239 NZ LYS A 247 -5.639 -12.459 -11.688 1.00 0.00 N ATOM 0 H LYS A 247 -6.172 -9.445 -6.152 1.00 0.00 H new ATOM 0 HA LYS A 247 -8.726 -10.907 -6.586 1.00 0.00 H new ATOM 0 HB2 LYS A 247 -7.734 -11.234 -8.691 1.00 0.00 H new ATOM 0 HB3 LYS A 247 -6.892 -9.775 -8.211 1.00 0.00 H new ATOM 0 HG2 LYS A 247 -4.960 -11.081 -7.409 1.00 0.00 H new ATOM 0 HG3 LYS A 247 -5.815 -12.588 -7.670 1.00 0.00 H new ATOM 0 HD2 LYS A 247 -4.960 -10.583 -9.819 1.00 0.00 H new ATOM 0 HD3 LYS A 247 -4.312 -12.194 -9.579 1.00 0.00 H new ATOM 0 HE2 LYS A 247 -6.746 -13.070 -9.960 1.00 0.00 H new ATOM 0 HE3 LYS A 247 -7.130 -11.456 -10.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 247 -6.328 -12.857 -12.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 247 -5.244 -11.580 -12.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 247 -4.872 -13.144 -11.533 1.00 0.00 H new ATOM 1253 N GLN A 248 -6.167 -12.295 -5.177 1.00 0.00 N ATOM 1254 CA GLN A 248 -5.750 -13.542 -4.483 1.00 0.00 C ATOM 1255 C GLN A 248 -6.263 -13.521 -3.042 1.00 0.00 C ATOM 1256 O GLN A 248 -6.150 -14.492 -2.318 1.00 0.00 O ATOM 1257 CB GLN A 248 -4.220 -13.519 -4.505 1.00 0.00 C ATOM 1258 CG GLN A 248 -3.687 -14.950 -4.400 1.00 0.00 C ATOM 1259 CD GLN A 248 -2.881 -15.292 -5.655 1.00 0.00 C ATOM 1260 OE1 GLN A 248 -3.215 -14.862 -6.742 1.00 0.00 O ATOM 1261 NE2 GLN A 248 -1.825 -16.053 -5.552 1.00 0.00 N ATOM 0 H GLN A 248 -5.538 -11.501 -5.056 1.00 0.00 H new ATOM 0 HA GLN A 248 -6.147 -14.439 -4.959 1.00 0.00 H new ATOM 0 HB2 GLN A 248 -3.866 -13.054 -5.425 1.00 0.00 H new ATOM 0 HB3 GLN A 248 -3.843 -12.917 -3.678 1.00 0.00 H new ATOM 0 HG2 GLN A 248 -3.060 -15.051 -3.514 1.00 0.00 H new ATOM 0 HG3 GLN A 248 -4.515 -15.650 -4.286 1.00 0.00 H new ATOM 0 HE21 GLN A 248 -1.544 -16.414 -4.641 1.00 0.00 H new ATOM 0 HE22 GLN A 248 -1.281 -16.286 -6.383 1.00 0.00 H new ATOM 1270 N PHE A 249 -6.816 -12.416 -2.614 1.00 0.00 N ATOM 1271 CA PHE A 249 -7.321 -12.336 -1.213 1.00 0.00 C ATOM 1272 C PHE A 249 -8.689 -11.642 -1.144 1.00 0.00 C ATOM 1273 O PHE A 249 -9.370 -11.719 -0.140 1.00 0.00 O ATOM 1274 CB PHE A 249 -6.271 -11.514 -0.466 1.00 0.00 C ATOM 1275 CG PHE A 249 -5.008 -12.327 -0.311 1.00 0.00 C ATOM 1276 CD1 PHE A 249 -4.968 -13.387 0.602 1.00 0.00 C ATOM 1277 CD2 PHE A 249 -3.880 -12.021 -1.080 1.00 0.00 C ATOM 1278 CE1 PHE A 249 -3.798 -14.141 0.747 1.00 0.00 C ATOM 1279 CE2 PHE A 249 -2.709 -12.775 -0.935 1.00 0.00 C ATOM 1280 CZ PHE A 249 -2.668 -13.835 -0.022 1.00 0.00 C ATOM 0 H PHE A 249 -6.939 -11.570 -3.171 1.00 0.00 H new ATOM 0 HA PHE A 249 -7.464 -13.328 -0.783 1.00 0.00 H new ATOM 0 HB2 PHE A 249 -6.059 -10.594 -1.011 1.00 0.00 H new ATOM 0 HB3 PHE A 249 -6.651 -11.223 0.513 1.00 0.00 H new ATOM 0 HD1 PHE A 249 -5.840 -13.623 1.194 1.00 0.00 H new ATOM 0 HD2 PHE A 249 -3.912 -11.204 -1.785 1.00 0.00 H new ATOM 0 HE1 PHE A 249 -3.766 -14.959 1.452 1.00 0.00 H new ATOM 0 HE2 PHE A 249 -1.838 -12.539 -1.528 1.00 0.00 H new ATOM 0 HZ PHE A 249 -1.765 -14.417 0.090 1.00 0.00 H new ATOM 1290 N ILE A 250 -9.104 -10.958 -2.179 1.00 0.00 N ATOM 1291 CA ILE A 250 -10.429 -10.271 -2.111 1.00 0.00 C ATOM 1292 C ILE A 250 -11.320 -10.679 -3.294 1.00 0.00 C ATOM 1293 O ILE A 250 -12.530 -10.599 -3.220 1.00 0.00 O ATOM 1294 CB ILE A 250 -10.099 -8.771 -2.149 1.00 0.00 C ATOM 1295 CG1 ILE A 250 -9.804 -8.286 -0.728 1.00 0.00 C ATOM 1296 CG2 ILE A 250 -11.285 -7.982 -2.708 1.00 0.00 C ATOM 1297 CD1 ILE A 250 -8.356 -7.801 -0.642 1.00 0.00 C ATOM 0 H ILE A 250 -8.593 -10.846 -3.055 1.00 0.00 H new ATOM 0 HA ILE A 250 -10.986 -10.539 -1.213 1.00 0.00 H new ATOM 0 HB ILE A 250 -9.231 -8.614 -2.789 1.00 0.00 H new ATOM 0 HG12 ILE A 250 -10.485 -7.478 -0.460 1.00 0.00 H new ATOM 0 HG13 ILE A 250 -9.971 -9.094 -0.015 1.00 0.00 H new ATOM 0 HG21 ILE A 250 -11.038 -6.921 -2.730 1.00 0.00 H new ATOM 0 HG22 ILE A 250 -11.505 -8.324 -3.719 1.00 0.00 H new ATOM 0 HG23 ILE A 250 -12.158 -8.139 -2.074 1.00 0.00 H new ATOM 0 HD11 ILE A 250 -8.147 -7.456 0.371 1.00 0.00 H new ATOM 0 HD12 ILE A 250 -7.682 -8.621 -0.892 1.00 0.00 H new ATOM 0 HD13 ILE A 250 -8.205 -6.980 -1.343 1.00 0.00 H new ATOM 1309 N ILE A 251 -10.739 -11.108 -4.380 1.00 0.00 N ATOM 1310 CA ILE A 251 -11.572 -11.507 -5.552 1.00 0.00 C ATOM 1311 C ILE A 251 -11.047 -12.818 -6.145 1.00 0.00 C ATOM 1312 O ILE A 251 -10.614 -13.703 -5.434 1.00 0.00 O ATOM 1313 CB ILE A 251 -11.433 -10.364 -6.566 1.00 0.00 C ATOM 1314 CG1 ILE A 251 -11.301 -9.022 -5.839 1.00 0.00 C ATOM 1315 CG2 ILE A 251 -12.677 -10.321 -7.456 1.00 0.00 C ATOM 1316 CD1 ILE A 251 -11.185 -7.896 -6.867 1.00 0.00 C ATOM 0 H ILE A 251 -9.731 -11.200 -4.508 1.00 0.00 H new ATOM 0 HA ILE A 251 -12.614 -11.671 -5.276 1.00 0.00 H new ATOM 0 HB ILE A 251 -10.542 -10.537 -7.170 1.00 0.00 H new ATOM 0 HG12 ILE A 251 -12.167 -8.856 -5.198 1.00 0.00 H new ATOM 0 HG13 ILE A 251 -10.423 -9.031 -5.193 1.00 0.00 H new ATOM 0 HG21 ILE A 251 -12.580 -9.510 -8.177 1.00 0.00 H new ATOM 0 HG22 ILE A 251 -12.778 -11.268 -7.986 1.00 0.00 H new ATOM 0 HG23 ILE A 251 -13.560 -10.155 -6.839 1.00 0.00 H new ATOM 0 HD11 ILE A 251 -11.091 -6.940 -6.351 1.00 0.00 H new ATOM 0 HD12 ILE A 251 -10.305 -8.061 -7.489 1.00 0.00 H new ATOM 0 HD13 ILE A 251 -12.076 -7.883 -7.495 1.00 0.00 H new