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 69:sc= -1.83! USER MOD Set 1.2: A 246 CYS SG : rot 29:sc= -3.5! USER MOD Set 2.1: A 185 HIS : no HD1:sc= -4.37! C(o=-9.9!,f=-26!) USER MOD Set 2.2: A 245 TYR OH : rot -143:sc= -5.48! USER MOD Single : A 184 ASN : amide:sc= -0.261 X(o=-0.26,f=-0.061) 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+ 177:sc= -0.337 (180deg=-0.352) USER MOD Single : A 225 ASN : amide:sc= -0.255 X(o=-0.26,f=-0.63) USER MOD Single : A 226 THR OG1 : rot -77:sc= 1.26 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= -0.155 K(o=-0.15,f=-1.6!) USER MOD Single : A 240 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 244 ASN :FLIP amide:sc= 0 F(o=-0.67,f=0) USER MOD Single : A 247 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 248 GLN : amide:sc= -1.48 K(o=-1.5,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 105 N ILE A 179 6.143 -1.063 -4.040 1.00 0.00 N ATOM 106 CA ILE A 179 5.542 -2.088 -3.136 1.00 0.00 C ATOM 107 C ILE A 179 6.253 -3.434 -3.307 1.00 0.00 C ATOM 108 O ILE A 179 6.510 -3.874 -4.409 1.00 0.00 O ATOM 109 CB ILE A 179 4.061 -2.167 -3.562 1.00 0.00 C ATOM 110 CG1 ILE A 179 3.184 -2.149 -2.315 1.00 0.00 C ATOM 111 CG2 ILE A 179 3.766 -3.452 -4.353 1.00 0.00 C ATOM 112 CD1 ILE A 179 1.713 -2.268 -2.720 1.00 0.00 C ATOM 0 HA ILE A 179 5.641 -1.830 -2.082 1.00 0.00 H new ATOM 0 HB ILE A 179 3.848 -1.312 -4.203 1.00 0.00 H new ATOM 0 HG12 ILE A 179 3.457 -2.972 -1.654 1.00 0.00 H new ATOM 0 HG13 ILE A 179 3.345 -1.226 -1.758 1.00 0.00 H new ATOM 0 HG21 ILE A 179 2.713 -3.472 -4.636 1.00 0.00 H new ATOM 0 HG22 ILE A 179 4.383 -3.476 -5.251 1.00 0.00 H new ATOM 0 HG23 ILE A 179 3.992 -4.320 -3.734 1.00 0.00 H new ATOM 0 HD11 ILE A 179 1.088 -2.255 -1.827 1.00 0.00 H new ATOM 0 HD12 ILE A 179 1.444 -1.431 -3.364 1.00 0.00 H new ATOM 0 HD13 ILE A 179 1.558 -3.203 -3.258 1.00 0.00 H new ATOM 124 N ASP A 180 6.556 -4.102 -2.227 1.00 0.00 N ATOM 125 CA ASP A 180 7.227 -5.422 -2.346 1.00 0.00 C ATOM 126 C ASP A 180 6.188 -6.530 -2.207 1.00 0.00 C ATOM 127 O ASP A 180 6.145 -7.457 -2.992 1.00 0.00 O ATOM 128 CB ASP A 180 8.232 -5.474 -1.194 1.00 0.00 C ATOM 129 CG ASP A 180 9.432 -6.330 -1.603 1.00 0.00 C ATOM 130 OD1 ASP A 180 9.259 -7.528 -1.743 1.00 0.00 O ATOM 131 OD2 ASP A 180 10.504 -5.771 -1.768 1.00 0.00 O ATOM 0 H ASP A 180 6.368 -3.791 -1.274 1.00 0.00 H new ATOM 0 HA ASP A 180 7.722 -5.555 -3.308 1.00 0.00 H new ATOM 0 HB2 ASP A 180 8.561 -4.467 -0.938 1.00 0.00 H new ATOM 0 HB3 ASP A 180 7.760 -5.891 -0.304 1.00 0.00 H new ATOM 136 N ILE A 181 5.345 -6.441 -1.214 1.00 0.00 N ATOM 137 CA ILE A 181 4.312 -7.495 -1.023 1.00 0.00 C ATOM 138 C ILE A 181 3.158 -6.980 -0.153 1.00 0.00 C ATOM 139 O ILE A 181 3.335 -6.134 0.696 1.00 0.00 O ATOM 140 CB ILE A 181 5.047 -8.615 -0.288 1.00 0.00 C ATOM 141 CG1 ILE A 181 5.933 -9.392 -1.261 1.00 0.00 C ATOM 142 CG2 ILE A 181 4.034 -9.571 0.350 1.00 0.00 C ATOM 143 CD1 ILE A 181 6.445 -10.654 -0.569 1.00 0.00 C ATOM 0 H ILE A 181 5.328 -5.685 -0.529 1.00 0.00 H new ATOM 0 HA ILE A 181 3.877 -7.815 -1.970 1.00 0.00 H new ATOM 0 HB ILE A 181 5.670 -8.172 0.489 1.00 0.00 H new ATOM 0 HG12 ILE A 181 5.369 -9.656 -2.155 1.00 0.00 H new ATOM 0 HG13 ILE A 181 6.771 -8.773 -1.584 1.00 0.00 H new ATOM 0 HG21 ILE A 181 4.564 -10.367 0.872 1.00 0.00 H new ATOM 0 HG22 ILE A 181 3.413 -9.023 1.058 1.00 0.00 H new ATOM 0 HG23 ILE A 181 3.403 -10.004 -0.426 1.00 0.00 H new ATOM 0 HD11 ILE A 181 7.078 -11.215 -1.257 1.00 0.00 H new ATOM 0 HD12 ILE A 181 7.023 -10.377 0.312 1.00 0.00 H new ATOM 0 HD13 ILE A 181 5.599 -11.273 -0.268 1.00 0.00 H new ATOM 155 N VAL A 182 1.987 -7.516 -0.345 1.00 0.00 N ATOM 156 CA VAL A 182 0.821 -7.101 0.485 1.00 0.00 C ATOM 157 C VAL A 182 0.623 -8.129 1.607 1.00 0.00 C ATOM 158 O VAL A 182 -0.015 -9.148 1.428 1.00 0.00 O ATOM 159 CB VAL A 182 -0.366 -7.097 -0.479 1.00 0.00 C ATOM 160 CG1 VAL A 182 -1.610 -6.572 0.239 1.00 0.00 C ATOM 161 CG2 VAL A 182 -0.043 -6.188 -1.668 1.00 0.00 C ATOM 0 H VAL A 182 1.785 -8.229 -1.046 1.00 0.00 H new ATOM 0 HA VAL A 182 0.948 -6.126 0.955 1.00 0.00 H new ATOM 0 HB VAL A 182 -0.555 -8.112 -0.830 1.00 0.00 H new ATOM 0 HG11 VAL A 182 -2.454 -6.570 -0.450 1.00 0.00 H new ATOM 0 HG12 VAL A 182 -1.837 -7.214 1.090 1.00 0.00 H new ATOM 0 HG13 VAL A 182 -1.426 -5.557 0.590 1.00 0.00 H new ATOM 0 HG21 VAL A 182 -0.885 -6.180 -2.360 1.00 0.00 H new ATOM 0 HG22 VAL A 182 0.143 -5.175 -1.311 1.00 0.00 H new ATOM 0 HG23 VAL A 182 0.844 -6.561 -2.181 1.00 0.00 H new ATOM 171 N ILE A 183 1.199 -7.879 2.751 1.00 0.00 N ATOM 172 CA ILE A 183 1.090 -8.843 3.891 1.00 0.00 C ATOM 173 C ILE A 183 -0.368 -9.176 4.216 1.00 0.00 C ATOM 174 O ILE A 183 -0.691 -10.292 4.573 1.00 0.00 O ATOM 175 CB ILE A 183 1.739 -8.118 5.071 1.00 0.00 C ATOM 176 CG1 ILE A 183 3.202 -7.833 4.741 1.00 0.00 C ATOM 177 CG2 ILE A 183 1.665 -8.998 6.319 1.00 0.00 C ATOM 178 CD1 ILE A 183 3.896 -9.138 4.351 1.00 0.00 C ATOM 0 H ILE A 183 1.746 -7.041 2.950 1.00 0.00 H new ATOM 0 HA ILE A 183 1.571 -9.793 3.656 1.00 0.00 H new ATOM 0 HB ILE A 183 1.212 -7.182 5.257 1.00 0.00 H new ATOM 0 HG12 ILE A 183 3.269 -7.114 3.924 1.00 0.00 H new ATOM 0 HG13 ILE A 183 3.700 -7.386 5.601 1.00 0.00 H new ATOM 0 HG21 ILE A 183 2.128 -8.479 7.158 1.00 0.00 H new ATOM 0 HG22 ILE A 183 0.622 -9.209 6.554 1.00 0.00 H new ATOM 0 HG23 ILE A 183 2.192 -9.934 6.136 1.00 0.00 H new ATOM 0 HD11 ILE A 183 4.941 -8.938 4.115 1.00 0.00 H new ATOM 0 HD12 ILE A 183 3.840 -9.842 5.181 1.00 0.00 H new ATOM 0 HD13 ILE A 183 3.402 -9.566 3.479 1.00 0.00 H new ATOM 190 N ASN A 184 -1.246 -8.224 4.113 1.00 0.00 N ATOM 191 CA ASN A 184 -2.673 -8.497 4.435 1.00 0.00 C ATOM 192 C ASN A 184 -3.508 -7.240 4.200 1.00 0.00 C ATOM 193 O ASN A 184 -3.046 -6.278 3.619 1.00 0.00 O ATOM 194 CB ASN A 184 -2.676 -8.875 5.919 1.00 0.00 C ATOM 195 CG ASN A 184 -3.665 -10.017 6.155 1.00 0.00 C ATOM 196 OD1 ASN A 184 -4.500 -9.942 7.034 1.00 0.00 O ATOM 197 ND2 ASN A 184 -3.605 -11.081 5.402 1.00 0.00 N ATOM 0 H ASN A 184 -1.040 -7.269 3.820 1.00 0.00 H new ATOM 0 HA ASN A 184 -3.099 -9.285 3.814 1.00 0.00 H new ATOM 0 HB2 ASN A 184 -1.676 -9.177 6.230 1.00 0.00 H new ATOM 0 HB3 ASN A 184 -2.951 -8.011 6.524 1.00 0.00 H new ATOM 0 HD21 ASN A 184 -4.259 -11.849 5.552 1.00 0.00 H new ATOM 0 HD22 ASN A 184 -2.904 -11.144 4.664 1.00 0.00 H new ATOM 204 N HIS A 185 -4.732 -7.232 4.647 1.00 0.00 N ATOM 205 CA HIS A 185 -5.578 -6.024 4.443 1.00 0.00 C ATOM 206 C HIS A 185 -6.840 -6.093 5.315 1.00 0.00 C ATOM 207 O HIS A 185 -7.096 -7.080 5.976 1.00 0.00 O ATOM 208 CB HIS A 185 -5.934 -6.042 2.950 1.00 0.00 C ATOM 209 CG HIS A 185 -7.087 -6.978 2.703 1.00 0.00 C ATOM 210 ND1 HIS A 185 -6.909 -8.333 2.478 1.00 0.00 N ATOM 211 CD2 HIS A 185 -8.440 -6.762 2.642 1.00 0.00 C ATOM 212 CE1 HIS A 185 -8.125 -8.877 2.291 1.00 0.00 C ATOM 213 NE2 HIS A 185 -9.095 -7.962 2.381 1.00 0.00 N ATOM 0 H HIS A 185 -5.181 -8.003 5.141 1.00 0.00 H new ATOM 0 HA HIS A 185 -5.064 -5.105 4.726 1.00 0.00 H new ATOM 0 HB2 HIS A 185 -6.194 -5.037 2.618 1.00 0.00 H new ATOM 0 HB3 HIS A 185 -5.069 -6.356 2.366 1.00 0.00 H new ATOM 0 HD2 HIS A 185 -8.924 -5.806 2.776 1.00 0.00 H new ATOM 0 HE1 HIS A 185 -8.296 -9.925 2.092 1.00 0.00 H new ATOM 0 HE2 HIS A 185 -10.099 -8.111 2.280 1.00 0.00 H new ATOM 221 N ARG A 186 -7.629 -5.053 5.314 1.00 0.00 N ATOM 222 CA ARG A 186 -8.877 -5.057 6.133 1.00 0.00 C ATOM 223 C ARG A 186 -9.570 -3.693 6.051 1.00 0.00 C ATOM 224 O ARG A 186 -9.026 -2.740 5.530 1.00 0.00 O ATOM 225 CB ARG A 186 -8.424 -5.344 7.567 1.00 0.00 C ATOM 226 CG ARG A 186 -7.167 -4.532 7.888 1.00 0.00 C ATOM 227 CD ARG A 186 -7.394 -3.720 9.164 1.00 0.00 C ATOM 228 NE ARG A 186 -7.406 -4.725 10.263 1.00 0.00 N ATOM 229 CZ ARG A 186 -6.415 -4.778 11.112 1.00 0.00 C ATOM 230 NH1 ARG A 186 -5.301 -5.369 10.778 1.00 0.00 N ATOM 231 NH2 ARG A 186 -6.539 -4.240 12.294 1.00 0.00 N ATOM 0 H ARG A 186 -7.464 -4.199 4.781 1.00 0.00 H new ATOM 0 HA ARG A 186 -9.593 -5.800 5.781 1.00 0.00 H new ATOM 0 HB2 ARG A 186 -9.220 -5.090 8.267 1.00 0.00 H new ATOM 0 HB3 ARG A 186 -8.221 -6.408 7.687 1.00 0.00 H new ATOM 0 HG2 ARG A 186 -6.314 -5.198 8.016 1.00 0.00 H new ATOM 0 HG3 ARG A 186 -6.930 -3.866 7.058 1.00 0.00 H new ATOM 0 HD2 ARG A 186 -6.603 -2.985 9.310 1.00 0.00 H new ATOM 0 HD3 ARG A 186 -8.335 -3.171 9.121 1.00 0.00 H new ATOM 0 HE ARG A 186 -8.189 -5.373 10.353 1.00 0.00 H new ATOM 0 HH11 ARG A 186 -5.204 -5.790 9.854 1.00 0.00 H new ATOM 0 HH12 ARG A 186 -4.527 -5.410 11.441 1.00 0.00 H new ATOM 0 HH21 ARG A 186 -7.410 -3.778 12.555 1.00 0.00 H new ATOM 0 HH22 ARG A 186 -5.765 -4.281 12.957 1.00 0.00 H new ATOM 612 N ASN A 210 -13.399 1.283 0.546 1.00 0.00 N ATOM 613 CA ASN A 210 -13.392 1.202 2.036 1.00 0.00 C ATOM 614 C ASN A 210 -12.495 0.055 2.518 1.00 0.00 C ATOM 615 O ASN A 210 -12.961 -0.893 3.118 1.00 0.00 O ATOM 616 CB ASN A 210 -14.848 0.935 2.419 1.00 0.00 C ATOM 617 CG ASN A 210 -15.647 2.238 2.339 1.00 0.00 C ATOM 618 OD1 ASN A 210 -16.340 2.481 1.371 1.00 0.00 O ATOM 619 ND2 ASN A 210 -15.578 3.092 3.323 1.00 0.00 N ATOM 0 HA ASN A 210 -13.002 2.112 2.491 1.00 0.00 H new ATOM 0 HB2 ASN A 210 -15.280 0.190 1.750 1.00 0.00 H new ATOM 0 HB3 ASN A 210 -14.900 0.526 3.428 1.00 0.00 H new ATOM 0 HD21 ASN A 210 -16.106 3.964 3.280 1.00 0.00 H new ATOM 0 HD22 ASN A 210 -14.996 2.888 4.136 1.00 0.00 H new ATOM 626 N TYR A 211 -11.213 0.132 2.272 1.00 0.00 N ATOM 627 CA TYR A 211 -10.306 -0.963 2.731 1.00 0.00 C ATOM 628 C TYR A 211 -8.847 -0.504 2.762 1.00 0.00 C ATOM 629 O TYR A 211 -8.433 0.357 2.011 1.00 0.00 O ATOM 630 CB TYR A 211 -10.471 -2.080 1.708 1.00 0.00 C ATOM 631 CG TYR A 211 -11.324 -3.182 2.289 1.00 0.00 C ATOM 632 CD1 TYR A 211 -10.740 -4.179 3.081 1.00 0.00 C ATOM 633 CD2 TYR A 211 -12.700 -3.206 2.038 1.00 0.00 C ATOM 634 CE1 TYR A 211 -11.535 -5.198 3.620 1.00 0.00 C ATOM 635 CE2 TYR A 211 -13.494 -4.223 2.577 1.00 0.00 C ATOM 636 CZ TYR A 211 -12.911 -5.220 3.368 1.00 0.00 C ATOM 637 OH TYR A 211 -13.695 -6.223 3.901 1.00 0.00 O ATOM 0 H TYR A 211 -10.757 0.899 1.777 1.00 0.00 H new ATOM 0 HA TYR A 211 -10.558 -1.280 3.743 1.00 0.00 H new ATOM 0 HB2 TYR A 211 -10.933 -1.690 0.801 1.00 0.00 H new ATOM 0 HB3 TYR A 211 -9.495 -2.474 1.425 1.00 0.00 H new ATOM 0 HD1 TYR A 211 -9.678 -4.162 3.276 1.00 0.00 H new ATOM 0 HD2 TYR A 211 -13.150 -2.438 1.427 1.00 0.00 H new ATOM 0 HE1 TYR A 211 -11.086 -5.967 4.231 1.00 0.00 H new ATOM 0 HE2 TYR A 211 -14.556 -4.239 2.383 1.00 0.00 H new ATOM 0 HH TYR A 211 -14.627 -6.089 3.630 1.00 0.00 H new ATOM 647 N GLU A 212 -8.066 -1.105 3.616 1.00 0.00 N ATOM 648 CA GLU A 212 -6.619 -0.759 3.708 1.00 0.00 C ATOM 649 C GLU A 212 -5.806 -2.014 3.390 1.00 0.00 C ATOM 650 O GLU A 212 -6.353 -3.090 3.276 1.00 0.00 O ATOM 651 CB GLU A 212 -6.405 -0.335 5.162 1.00 0.00 C ATOM 652 CG GLU A 212 -5.991 1.136 5.218 1.00 0.00 C ATOM 653 CD GLU A 212 -5.621 1.507 6.655 1.00 0.00 C ATOM 654 OE1 GLU A 212 -5.109 0.647 7.354 1.00 0.00 O ATOM 655 OE2 GLU A 212 -5.856 2.643 7.033 1.00 0.00 O ATOM 0 H GLU A 212 -8.373 -1.831 4.263 1.00 0.00 H new ATOM 0 HA GLU A 212 -6.316 0.028 3.017 1.00 0.00 H new ATOM 0 HB2 GLU A 212 -7.321 -0.486 5.733 1.00 0.00 H new ATOM 0 HB3 GLU A 212 -5.636 -0.956 5.622 1.00 0.00 H new ATOM 0 HG2 GLU A 212 -5.143 1.312 4.556 1.00 0.00 H new ATOM 0 HG3 GLU A 212 -6.806 1.768 4.866 1.00 0.00 H new ATOM 662 N PHE A 213 -4.518 -1.903 3.246 1.00 0.00 N ATOM 663 CA PHE A 213 -3.715 -3.121 2.935 1.00 0.00 C ATOM 664 C PHE A 213 -2.340 -3.055 3.596 1.00 0.00 C ATOM 665 O PHE A 213 -1.630 -2.078 3.465 1.00 0.00 O ATOM 666 CB PHE A 213 -3.534 -3.110 1.418 1.00 0.00 C ATOM 667 CG PHE A 213 -4.862 -3.249 0.723 1.00 0.00 C ATOM 668 CD1 PHE A 213 -5.683 -2.128 0.546 1.00 0.00 C ATOM 669 CD2 PHE A 213 -5.265 -4.496 0.236 1.00 0.00 C ATOM 670 CE1 PHE A 213 -6.909 -2.258 -0.115 1.00 0.00 C ATOM 671 CE2 PHE A 213 -6.488 -4.626 -0.428 1.00 0.00 C ATOM 672 CZ PHE A 213 -7.310 -3.507 -0.603 1.00 0.00 C ATOM 0 H PHE A 213 -3.989 -1.035 3.328 1.00 0.00 H new ATOM 0 HA PHE A 213 -4.213 -4.019 3.299 1.00 0.00 H new ATOM 0 HB2 PHE A 213 -3.053 -2.182 1.111 1.00 0.00 H new ATOM 0 HB3 PHE A 213 -2.875 -3.925 1.119 1.00 0.00 H new ATOM 0 HD1 PHE A 213 -5.370 -1.164 0.919 1.00 0.00 H new ATOM 0 HD2 PHE A 213 -4.631 -5.359 0.373 1.00 0.00 H new ATOM 0 HE1 PHE A 213 -7.545 -1.396 -0.249 1.00 0.00 H new ATOM 0 HE2 PHE A 213 -6.798 -5.589 -0.806 1.00 0.00 H new ATOM 0 HZ PHE A 213 -8.255 -3.607 -1.115 1.00 0.00 H new ATOM 682 N LEU A 214 -1.933 -4.096 4.268 1.00 0.00 N ATOM 683 CA LEU A 214 -0.579 -4.078 4.880 1.00 0.00 C ATOM 684 C LEU A 214 0.438 -4.190 3.758 1.00 0.00 C ATOM 685 O LEU A 214 0.566 -5.217 3.121 1.00 0.00 O ATOM 686 CB LEU A 214 -0.516 -5.303 5.790 1.00 0.00 C ATOM 687 CG LEU A 214 0.710 -5.243 6.713 1.00 0.00 C ATOM 688 CD1 LEU A 214 0.979 -3.813 7.186 1.00 0.00 C ATOM 689 CD2 LEU A 214 0.454 -6.137 7.926 1.00 0.00 C ATOM 0 H LEU A 214 -2.473 -4.948 4.418 1.00 0.00 H new ATOM 0 HA LEU A 214 -0.374 -3.170 5.447 1.00 0.00 H new ATOM 0 HB2 LEU A 214 -1.424 -5.361 6.390 1.00 0.00 H new ATOM 0 HB3 LEU A 214 -0.475 -6.208 5.184 1.00 0.00 H new ATOM 0 HG LEU A 214 1.583 -5.586 6.158 1.00 0.00 H new ATOM 0 HD11 LEU A 214 1.853 -3.804 7.838 1.00 0.00 H new ATOM 0 HD12 LEU A 214 1.163 -3.173 6.323 1.00 0.00 H new ATOM 0 HD13 LEU A 214 0.113 -3.442 7.735 1.00 0.00 H new ATOM 0 HD21 LEU A 214 1.317 -6.104 8.591 1.00 0.00 H new ATOM 0 HD22 LEU A 214 -0.428 -5.783 8.459 1.00 0.00 H new ATOM 0 HD23 LEU A 214 0.290 -7.162 7.594 1.00 0.00 H new ATOM 701 N ILE A 215 1.131 -3.135 3.476 1.00 0.00 N ATOM 702 CA ILE A 215 2.098 -3.177 2.357 1.00 0.00 C ATOM 703 C ILE A 215 3.517 -3.494 2.827 1.00 0.00 C ATOM 704 O ILE A 215 4.179 -2.674 3.432 1.00 0.00 O ATOM 705 CB ILE A 215 2.059 -1.777 1.767 1.00 0.00 C ATOM 706 CG1 ILE A 215 0.609 -1.332 1.567 1.00 0.00 C ATOM 707 CG2 ILE A 215 2.788 -1.785 0.430 1.00 0.00 C ATOM 708 CD1 ILE A 215 -0.133 -2.359 0.717 1.00 0.00 C ATOM 0 H ILE A 215 1.071 -2.245 3.970 1.00 0.00 H new ATOM 0 HA ILE A 215 1.835 -3.959 1.645 1.00 0.00 H new ATOM 0 HB ILE A 215 2.546 -1.079 2.448 1.00 0.00 H new ATOM 0 HG12 ILE A 215 0.116 -1.221 2.533 1.00 0.00 H new ATOM 0 HG13 ILE A 215 0.582 -0.356 1.082 1.00 0.00 H new ATOM 0 HG21 ILE A 215 2.766 -0.785 -0.002 1.00 0.00 H new ATOM 0 HG22 ILE A 215 3.823 -2.092 0.582 1.00 0.00 H new ATOM 0 HG23 ILE A 215 2.298 -2.484 -0.248 1.00 0.00 H new ATOM 0 HD11 ILE A 215 -1.165 -2.038 0.577 1.00 0.00 H new ATOM 0 HD12 ILE A 215 0.354 -2.448 -0.254 1.00 0.00 H new ATOM 0 HD13 ILE A 215 -0.119 -3.326 1.220 1.00 0.00 H new ATOM 720 N LYS A 216 4.004 -4.661 2.516 1.00 0.00 N ATOM 721 CA LYS A 216 5.402 -5.001 2.900 1.00 0.00 C ATOM 722 C LYS A 216 6.359 -4.239 1.974 1.00 0.00 C ATOM 723 O LYS A 216 6.612 -4.648 0.857 1.00 0.00 O ATOM 724 CB LYS A 216 5.541 -6.515 2.689 1.00 0.00 C ATOM 725 CG LYS A 216 7.024 -6.899 2.698 1.00 0.00 C ATOM 726 CD LYS A 216 7.303 -7.836 3.874 1.00 0.00 C ATOM 727 CE LYS A 216 8.046 -9.078 3.375 1.00 0.00 C ATOM 728 NZ LYS A 216 7.002 -10.135 3.270 1.00 0.00 N ATOM 0 H LYS A 216 3.498 -5.391 2.015 1.00 0.00 H new ATOM 0 HA LYS A 216 5.634 -4.731 3.930 1.00 0.00 H new ATOM 0 HB2 LYS A 216 5.011 -7.052 3.475 1.00 0.00 H new ATOM 0 HB3 LYS A 216 5.085 -6.804 1.742 1.00 0.00 H new ATOM 0 HG2 LYS A 216 7.290 -7.387 1.760 1.00 0.00 H new ATOM 0 HG3 LYS A 216 7.641 -6.004 2.778 1.00 0.00 H new ATOM 0 HD2 LYS A 216 7.899 -7.322 4.628 1.00 0.00 H new ATOM 0 HD3 LYS A 216 6.367 -8.127 4.351 1.00 0.00 H new ATOM 0 HE2 LYS A 216 8.520 -8.894 2.411 1.00 0.00 H new ATOM 0 HE3 LYS A 216 8.836 -9.370 4.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 216 7.425 -11.004 2.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 216 6.609 -10.330 4.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 216 6.242 -9.811 2.638 1.00 0.00 H new ATOM 742 N TRP A 217 6.881 -3.128 2.416 1.00 0.00 N ATOM 743 CA TRP A 217 7.809 -2.352 1.544 1.00 0.00 C ATOM 744 C TRP A 217 9.226 -2.918 1.664 1.00 0.00 C ATOM 745 O TRP A 217 9.472 -3.844 2.412 1.00 0.00 O ATOM 746 CB TRP A 217 7.759 -0.917 2.070 1.00 0.00 C ATOM 747 CG TRP A 217 6.348 -0.417 2.065 1.00 0.00 C ATOM 748 CD1 TRP A 217 5.497 -0.499 3.112 1.00 0.00 C ATOM 749 CD2 TRP A 217 5.610 0.239 0.988 1.00 0.00 C ATOM 750 NE1 TRP A 217 4.294 0.077 2.758 1.00 0.00 N ATOM 751 CE2 TRP A 217 4.307 0.538 1.456 1.00 0.00 C ATOM 752 CE3 TRP A 217 5.938 0.601 -0.333 1.00 0.00 C ATOM 753 CZ2 TRP A 217 3.362 1.173 0.643 1.00 0.00 C ATOM 754 CZ3 TRP A 217 4.990 1.240 -1.153 1.00 0.00 C ATOM 755 CH2 TRP A 217 3.705 1.523 -0.665 1.00 0.00 C ATOM 0 H TRP A 217 6.707 -2.726 3.337 1.00 0.00 H new ATOM 0 HA TRP A 217 7.526 -2.402 0.493 1.00 0.00 H new ATOM 0 HB2 TRP A 217 8.164 -0.878 3.081 1.00 0.00 H new ATOM 0 HB3 TRP A 217 8.384 -0.273 1.452 1.00 0.00 H new ATOM 0 HD1 TRP A 217 5.722 -0.943 4.070 1.00 0.00 H new ATOM 0 HE1 TRP A 217 3.491 0.153 3.383 1.00 0.00 H new ATOM 0 HE3 TRP A 217 6.924 0.387 -0.719 1.00 0.00 H new ATOM 0 HZ2 TRP A 217 2.375 1.391 1.024 1.00 0.00 H new ATOM 0 HZ3 TRP A 217 5.253 1.514 -2.164 1.00 0.00 H new ATOM 0 HH2 TRP A 217 2.981 2.011 -1.301 1.00 0.00 H new ATOM 871 N ASN A 225 7.043 -3.076 7.024 1.00 0.00 N ATOM 872 CA ASN A 225 5.622 -3.265 6.619 1.00 0.00 C ATOM 873 C ASN A 225 4.754 -2.165 7.227 1.00 0.00 C ATOM 874 O ASN A 225 4.984 -1.715 8.331 1.00 0.00 O ATOM 875 CB ASN A 225 5.228 -4.631 7.179 1.00 0.00 C ATOM 876 CG ASN A 225 5.450 -4.647 8.692 1.00 0.00 C ATOM 877 OD1 ASN A 225 6.572 -4.714 9.153 1.00 0.00 O ATOM 878 ND2 ASN A 225 4.418 -4.587 9.489 1.00 0.00 N ATOM 0 HA ASN A 225 5.489 -3.216 5.538 1.00 0.00 H new ATOM 0 HB2 ASN A 225 4.183 -4.841 6.952 1.00 0.00 H new ATOM 0 HB3 ASN A 225 5.820 -5.414 6.706 1.00 0.00 H new ATOM 0 HD21 ASN A 225 4.553 -4.596 10.500 1.00 0.00 H new ATOM 0 HD22 ASN A 225 3.476 -4.531 9.101 1.00 0.00 H new ATOM 885 N THR A 226 3.756 -1.735 6.513 1.00 0.00 N ATOM 886 CA THR A 226 2.865 -0.668 7.037 1.00 0.00 C ATOM 887 C THR A 226 1.491 -0.796 6.387 1.00 0.00 C ATOM 888 O THR A 226 1.347 -1.379 5.330 1.00 0.00 O ATOM 889 CB THR A 226 3.536 0.649 6.640 1.00 0.00 C ATOM 890 OG1 THR A 226 3.677 0.701 5.227 1.00 0.00 O ATOM 891 CG2 THR A 226 4.915 0.738 7.295 1.00 0.00 C ATOM 0 H THR A 226 3.518 -2.079 5.583 1.00 0.00 H new ATOM 0 HA THR A 226 2.722 -0.729 8.116 1.00 0.00 H new ATOM 0 HB THR A 226 2.922 1.485 6.975 1.00 0.00 H new ATOM 0 HG1 THR A 226 4.429 0.136 4.952 1.00 0.00 H new ATOM 0 HG21 THR A 226 5.392 1.676 7.012 1.00 0.00 H new ATOM 0 HG22 THR A 226 4.806 0.699 8.379 1.00 0.00 H new ATOM 0 HG23 THR A 226 5.531 -0.097 6.962 1.00 0.00 H new ATOM 899 N TRP A 227 0.478 -0.276 7.011 1.00 0.00 N ATOM 900 CA TRP A 227 -0.884 -0.389 6.427 1.00 0.00 C ATOM 901 C TRP A 227 -1.223 0.855 5.607 1.00 0.00 C ATOM 902 O TRP A 227 -1.578 1.887 6.139 1.00 0.00 O ATOM 903 CB TRP A 227 -1.804 -0.532 7.636 1.00 0.00 C ATOM 904 CG TRP A 227 -1.722 -1.944 8.116 1.00 0.00 C ATOM 905 CD1 TRP A 227 -0.751 -2.439 8.920 1.00 0.00 C ATOM 906 CD2 TRP A 227 -2.612 -3.052 7.817 1.00 0.00 C ATOM 907 NE1 TRP A 227 -0.991 -3.785 9.130 1.00 0.00 N ATOM 908 CE2 TRP A 227 -2.131 -4.208 8.475 1.00 0.00 C ATOM 909 CE3 TRP A 227 -3.782 -3.166 7.048 1.00 0.00 C ATOM 910 CZ2 TRP A 227 -2.786 -5.434 8.369 1.00 0.00 C ATOM 911 CZ3 TRP A 227 -4.444 -4.399 6.941 1.00 0.00 C ATOM 912 CH2 TRP A 227 -3.945 -5.529 7.601 1.00 0.00 C ATOM 0 H TRP A 227 0.532 0.222 7.899 1.00 0.00 H new ATOM 0 HA TRP A 227 -0.981 -1.231 5.741 1.00 0.00 H new ATOM 0 HB2 TRP A 227 -1.504 0.157 8.426 1.00 0.00 H new ATOM 0 HB3 TRP A 227 -2.830 -0.281 7.366 1.00 0.00 H new ATOM 0 HD1 TRP A 227 0.074 -1.876 9.330 1.00 0.00 H new ATOM 0 HE1 TRP A 227 -0.399 -4.391 9.699 1.00 0.00 H new ATOM 0 HE3 TRP A 227 -4.174 -2.300 6.536 1.00 0.00 H new ATOM 0 HZ2 TRP A 227 -2.398 -6.304 8.878 1.00 0.00 H new ATOM 0 HZ3 TRP A 227 -5.343 -4.477 6.347 1.00 0.00 H new ATOM 0 HH2 TRP A 227 -4.459 -6.475 7.515 1.00 0.00 H new ATOM 923 N GLU A 228 -1.110 0.762 4.309 1.00 0.00 N ATOM 924 CA GLU A 228 -1.419 1.936 3.449 1.00 0.00 C ATOM 925 C GLU A 228 -2.772 1.754 2.758 1.00 0.00 C ATOM 926 O GLU A 228 -3.504 0.822 3.030 1.00 0.00 O ATOM 927 CB GLU A 228 -0.288 1.986 2.420 1.00 0.00 C ATOM 928 CG GLU A 228 1.054 2.147 3.141 1.00 0.00 C ATOM 929 CD GLU A 228 0.937 3.231 4.216 1.00 0.00 C ATOM 930 OE1 GLU A 228 0.708 4.373 3.854 1.00 0.00 O ATOM 931 OE2 GLU A 228 1.077 2.898 5.381 1.00 0.00 O ATOM 0 H GLU A 228 -0.817 -0.077 3.809 1.00 0.00 H new ATOM 0 HA GLU A 228 -1.485 2.859 4.025 1.00 0.00 H new ATOM 0 HB2 GLU A 228 -0.285 1.074 1.823 1.00 0.00 H new ATOM 0 HB3 GLU A 228 -0.445 2.817 1.732 1.00 0.00 H new ATOM 0 HG2 GLU A 228 1.349 1.201 3.596 1.00 0.00 H new ATOM 0 HG3 GLU A 228 1.832 2.413 2.426 1.00 0.00 H new ATOM 938 N THR A 229 -3.103 2.639 1.861 1.00 0.00 N ATOM 939 CA THR A 229 -4.397 2.535 1.135 1.00 0.00 C ATOM 940 C THR A 229 -4.169 2.916 -0.325 1.00 0.00 C ATOM 941 O THR A 229 -3.248 3.640 -0.640 1.00 0.00 O ATOM 942 CB THR A 229 -5.317 3.549 1.812 1.00 0.00 C ATOM 943 OG1 THR A 229 -4.563 4.691 2.193 1.00 0.00 O ATOM 944 CG2 THR A 229 -5.946 2.915 3.048 1.00 0.00 C ATOM 0 H THR A 229 -2.526 3.438 1.598 1.00 0.00 H new ATOM 0 HA THR A 229 -4.822 1.532 1.161 1.00 0.00 H new ATOM 0 HB THR A 229 -6.103 3.850 1.119 1.00 0.00 H new ATOM 0 HG1 THR A 229 -5.153 5.343 2.626 1.00 0.00 H new ATOM 0 HG21 THR A 229 -6.603 3.637 3.533 1.00 0.00 H new ATOM 0 HG22 THR A 229 -6.524 2.039 2.753 1.00 0.00 H new ATOM 0 HG23 THR A 229 -5.161 2.615 3.742 1.00 0.00 H new ATOM 952 N TYR A 230 -4.982 2.442 -1.220 1.00 0.00 N ATOM 953 CA TYR A 230 -4.773 2.795 -2.650 1.00 0.00 C ATOM 954 C TYR A 230 -4.495 4.294 -2.782 1.00 0.00 C ATOM 955 O TYR A 230 -3.689 4.722 -3.585 1.00 0.00 O ATOM 956 CB TYR A 230 -6.084 2.443 -3.356 1.00 0.00 C ATOM 957 CG TYR A 230 -6.123 0.968 -3.678 1.00 0.00 C ATOM 958 CD1 TYR A 230 -5.475 0.051 -2.845 1.00 0.00 C ATOM 959 CD2 TYR A 230 -6.815 0.520 -4.810 1.00 0.00 C ATOM 960 CE1 TYR A 230 -5.519 -1.316 -3.143 1.00 0.00 C ATOM 961 CE2 TYR A 230 -6.859 -0.846 -5.108 1.00 0.00 C ATOM 962 CZ TYR A 230 -6.211 -1.764 -4.274 1.00 0.00 C ATOM 963 OH TYR A 230 -6.257 -3.111 -4.568 1.00 0.00 O ATOM 0 H TYR A 230 -5.776 1.831 -1.029 1.00 0.00 H new ATOM 0 HA TYR A 230 -3.925 2.262 -3.080 1.00 0.00 H new ATOM 0 HB2 TYR A 230 -6.930 2.707 -2.721 1.00 0.00 H new ATOM 0 HB3 TYR A 230 -6.180 3.025 -4.272 1.00 0.00 H new ATOM 0 HD1 TYR A 230 -4.941 0.397 -1.972 1.00 0.00 H new ATOM 0 HD2 TYR A 230 -7.315 1.229 -5.453 1.00 0.00 H new ATOM 0 HE1 TYR A 230 -5.019 -2.025 -2.500 1.00 0.00 H new ATOM 0 HE2 TYR A 230 -7.393 -1.192 -5.981 1.00 0.00 H new ATOM 0 HH TYR A 230 -6.797 -3.575 -3.895 1.00 0.00 H new ATOM 973 N GLU A 231 -5.160 5.093 -1.997 1.00 0.00 N ATOM 974 CA GLU A 231 -4.946 6.568 -2.066 1.00 0.00 C ATOM 975 C GLU A 231 -3.524 6.919 -1.622 1.00 0.00 C ATOM 976 O GLU A 231 -3.086 8.046 -1.744 1.00 0.00 O ATOM 977 CB GLU A 231 -5.970 7.160 -1.098 1.00 0.00 C ATOM 978 CG GLU A 231 -6.224 8.624 -1.455 1.00 0.00 C ATOM 979 CD GLU A 231 -7.551 8.741 -2.208 1.00 0.00 C ATOM 980 OE1 GLU A 231 -8.407 7.899 -1.995 1.00 0.00 O ATOM 981 OE2 GLU A 231 -7.688 9.671 -2.987 1.00 0.00 O ATOM 0 H GLU A 231 -5.846 4.788 -1.307 1.00 0.00 H new ATOM 0 HA GLU A 231 -5.067 6.956 -3.077 1.00 0.00 H new ATOM 0 HB2 GLU A 231 -6.901 6.596 -1.148 1.00 0.00 H new ATOM 0 HB3 GLU A 231 -5.605 7.083 -0.074 1.00 0.00 H new ATOM 0 HG2 GLU A 231 -6.252 9.231 -0.550 1.00 0.00 H new ATOM 0 HG3 GLU A 231 -5.409 9.006 -2.070 1.00 0.00 H new ATOM 988 N SER A 232 -2.801 5.965 -1.109 1.00 0.00 N ATOM 989 CA SER A 232 -1.407 6.246 -0.658 1.00 0.00 C ATOM 990 C SER A 232 -0.429 5.279 -1.331 1.00 0.00 C ATOM 991 O SER A 232 0.766 5.498 -1.344 1.00 0.00 O ATOM 992 CB SER A 232 -1.430 6.029 0.854 1.00 0.00 C ATOM 993 OG SER A 232 -1.052 7.234 1.507 1.00 0.00 O ATOM 0 H SER A 232 -3.113 5.002 -0.982 1.00 0.00 H new ATOM 0 HA SER A 232 -1.082 7.253 -0.918 1.00 0.00 H new ATOM 0 HB2 SER A 232 -2.427 5.725 1.174 1.00 0.00 H new ATOM 0 HB3 SER A 232 -0.748 5.224 1.128 1.00 0.00 H new ATOM 0 HG SER A 232 -1.067 7.099 2.478 1.00 0.00 H new ATOM 999 N ILE A 233 -0.929 4.213 -1.889 1.00 0.00 N ATOM 1000 CA ILE A 233 -0.035 3.228 -2.565 1.00 0.00 C ATOM 1001 C ILE A 233 -0.484 3.056 -4.024 1.00 0.00 C ATOM 1002 O ILE A 233 -0.039 2.168 -4.725 1.00 0.00 O ATOM 1003 CB ILE A 233 -0.150 1.909 -1.743 1.00 0.00 C ATOM 1004 CG1 ILE A 233 -0.391 0.704 -2.664 1.00 0.00 C ATOM 1005 CG2 ILE A 233 -1.292 1.982 -0.722 1.00 0.00 C ATOM 1006 CD1 ILE A 233 -0.738 -0.521 -1.816 1.00 0.00 C ATOM 0 H ILE A 233 -1.922 3.979 -1.907 1.00 0.00 H new ATOM 0 HA ILE A 233 1.006 3.550 -2.598 1.00 0.00 H new ATOM 0 HB ILE A 233 0.796 1.784 -1.216 1.00 0.00 H new ATOM 0 HG12 ILE A 233 -1.202 0.920 -3.360 1.00 0.00 H new ATOM 0 HG13 ILE A 233 0.498 0.506 -3.263 1.00 0.00 H new ATOM 0 HG21 ILE A 233 -1.344 1.046 -0.166 1.00 0.00 H new ATOM 0 HG22 ILE A 233 -1.110 2.805 -0.031 1.00 0.00 H new ATOM 0 HG23 ILE A 233 -2.235 2.148 -1.242 1.00 0.00 H new ATOM 0 HD11 ILE A 233 -0.910 -1.378 -2.468 1.00 0.00 H new ATOM 0 HD12 ILE A 233 0.087 -0.740 -1.138 1.00 0.00 H new ATOM 0 HD13 ILE A 233 -1.639 -0.319 -1.237 1.00 0.00 H new ATOM 1018 N GLY A 234 -1.360 3.909 -4.484 1.00 0.00 N ATOM 1019 CA GLY A 234 -1.836 3.805 -5.892 1.00 0.00 C ATOM 1020 C GLY A 234 -0.958 4.666 -6.802 1.00 0.00 C ATOM 1021 O GLY A 234 -1.437 5.543 -7.493 1.00 0.00 O ATOM 0 H GLY A 234 -1.766 4.673 -3.944 1.00 0.00 H new ATOM 0 HA2 GLY A 234 -1.806 2.766 -6.220 1.00 0.00 H new ATOM 0 HA3 GLY A 234 -2.874 4.130 -5.959 1.00 0.00 H new ATOM 1025 N GLN A 235 0.323 4.420 -6.812 1.00 0.00 N ATOM 1026 CA GLN A 235 1.227 5.225 -7.684 1.00 0.00 C ATOM 1027 C GLN A 235 2.686 4.819 -7.459 1.00 0.00 C ATOM 1028 O GLN A 235 3.589 5.626 -7.562 1.00 0.00 O ATOM 1029 CB GLN A 235 1.003 6.676 -7.259 1.00 0.00 C ATOM 1030 CG GLN A 235 0.993 6.764 -5.731 1.00 0.00 C ATOM 1031 CD GLN A 235 1.635 8.081 -5.288 1.00 0.00 C ATOM 1032 OE1 GLN A 235 1.771 8.998 -6.072 1.00 0.00 O ATOM 1033 NE2 GLN A 235 2.041 8.210 -4.054 1.00 0.00 N ATOM 0 H GLN A 235 0.783 3.699 -6.256 1.00 0.00 H new ATOM 0 HA GLN A 235 1.017 5.073 -8.743 1.00 0.00 H new ATOM 0 HB2 GLN A 235 1.790 7.311 -7.665 1.00 0.00 H new ATOM 0 HB3 GLN A 235 0.059 7.042 -7.661 1.00 0.00 H new ATOM 0 HG2 GLN A 235 -0.030 6.704 -5.360 1.00 0.00 H new ATOM 0 HG3 GLN A 235 1.537 5.921 -5.305 1.00 0.00 H new ATOM 0 HE21 GLN A 235 1.926 7.439 -3.396 1.00 0.00 H new ATOM 0 HE22 GLN A 235 2.473 9.082 -3.748 1.00 0.00 H new ATOM 1042 N VAL A 236 2.924 3.573 -7.154 1.00 0.00 N ATOM 1043 CA VAL A 236 4.326 3.110 -6.924 1.00 0.00 C ATOM 1044 C VAL A 236 4.424 1.610 -7.192 1.00 0.00 C ATOM 1045 O VAL A 236 5.100 0.887 -6.486 1.00 0.00 O ATOM 1046 CB VAL A 236 4.602 3.398 -5.448 1.00 0.00 C ATOM 1047 CG1 VAL A 236 4.773 4.902 -5.242 1.00 0.00 C ATOM 1048 CG2 VAL A 236 3.427 2.899 -4.605 1.00 0.00 C ATOM 0 H VAL A 236 2.209 2.853 -7.054 1.00 0.00 H new ATOM 0 HA VAL A 236 5.040 3.609 -7.579 1.00 0.00 H new ATOM 0 HB VAL A 236 5.514 2.885 -5.143 1.00 0.00 H new ATOM 0 HG11 VAL A 236 4.970 5.105 -4.189 1.00 0.00 H new ATOM 0 HG12 VAL A 236 5.610 5.259 -5.843 1.00 0.00 H new ATOM 0 HG13 VAL A 236 3.862 5.417 -5.547 1.00 0.00 H new ATOM 0 HG21 VAL A 236 3.622 3.103 -3.552 1.00 0.00 H new ATOM 0 HG22 VAL A 236 2.515 3.412 -4.912 1.00 0.00 H new ATOM 0 HG23 VAL A 236 3.305 1.826 -4.750 1.00 0.00 H new ATOM 1058 N ARG A 237 3.732 1.130 -8.193 1.00 0.00 N ATOM 1059 CA ARG A 237 3.759 -0.333 -8.496 1.00 0.00 C ATOM 1060 C ARG A 237 2.970 -1.094 -7.422 1.00 0.00 C ATOM 1061 O ARG A 237 2.847 -2.307 -7.461 1.00 0.00 O ATOM 1062 CB ARG A 237 5.238 -0.729 -8.464 1.00 0.00 C ATOM 1063 CG ARG A 237 5.572 -1.560 -9.705 1.00 0.00 C ATOM 1064 CD ARG A 237 6.465 -2.738 -9.310 1.00 0.00 C ATOM 1065 NE ARG A 237 6.666 -3.507 -10.570 1.00 0.00 N ATOM 1066 CZ ARG A 237 7.843 -3.545 -11.133 1.00 0.00 C ATOM 1067 NH1 ARG A 237 8.907 -3.751 -10.406 1.00 0.00 N ATOM 1068 NH2 ARG A 237 7.957 -3.378 -12.422 1.00 0.00 N ATOM 0 H ARG A 237 3.148 1.689 -8.815 1.00 0.00 H new ATOM 0 HA ARG A 237 3.307 -0.567 -9.460 1.00 0.00 H new ATOM 0 HB2 ARG A 237 5.863 0.163 -8.432 1.00 0.00 H new ATOM 0 HB3 ARG A 237 5.453 -1.301 -7.562 1.00 0.00 H new ATOM 0 HG2 ARG A 237 4.655 -1.925 -10.168 1.00 0.00 H new ATOM 0 HG3 ARG A 237 6.078 -0.940 -10.445 1.00 0.00 H new ATOM 0 HD2 ARG A 237 7.415 -2.394 -8.902 1.00 0.00 H new ATOM 0 HD3 ARG A 237 5.992 -3.352 -8.544 1.00 0.00 H new ATOM 0 HE ARG A 237 5.883 -4.005 -10.993 1.00 0.00 H new ATOM 0 HH11 ARG A 237 8.819 -3.882 -9.398 1.00 0.00 H new ATOM 0 HH12 ARG A 237 9.827 -3.781 -10.845 1.00 0.00 H new ATOM 0 HH21 ARG A 237 7.126 -3.218 -12.991 1.00 0.00 H new ATOM 0 HH22 ARG A 237 8.877 -3.408 -12.861 1.00 0.00 H new ATOM 1082 N GLY A 238 2.427 -0.384 -6.466 1.00 0.00 N ATOM 1083 CA GLY A 238 1.647 -1.050 -5.395 1.00 0.00 C ATOM 1084 C GLY A 238 0.368 -1.617 -5.986 1.00 0.00 C ATOM 1085 O GLY A 238 0.120 -2.801 -5.927 1.00 0.00 O ATOM 0 H GLY A 238 2.494 0.631 -6.386 1.00 0.00 H new ATOM 0 HA2 GLY A 238 2.236 -1.847 -4.942 1.00 0.00 H new ATOM 0 HA3 GLY A 238 1.412 -0.338 -4.604 1.00 0.00 H new ATOM 1089 N LEU A 239 -0.448 -0.785 -6.561 1.00 0.00 N ATOM 1090 CA LEU A 239 -1.710 -1.289 -7.155 1.00 0.00 C ATOM 1091 C LEU A 239 -1.440 -2.557 -7.961 1.00 0.00 C ATOM 1092 O LEU A 239 -2.272 -3.431 -8.039 1.00 0.00 O ATOM 1093 CB LEU A 239 -2.204 -0.158 -8.057 1.00 0.00 C ATOM 1094 CG LEU A 239 -2.969 0.859 -7.214 1.00 0.00 C ATOM 1095 CD1 LEU A 239 -3.133 2.157 -8.006 1.00 0.00 C ATOM 1096 CD2 LEU A 239 -4.348 0.297 -6.864 1.00 0.00 C ATOM 0 H LEU A 239 -0.296 0.220 -6.645 1.00 0.00 H new ATOM 0 HA LEU A 239 -2.451 -1.551 -6.400 1.00 0.00 H new ATOM 0 HB2 LEU A 239 -1.360 0.323 -8.552 1.00 0.00 H new ATOM 0 HB3 LEU A 239 -2.848 -0.557 -8.841 1.00 0.00 H new ATOM 0 HG LEU A 239 -2.416 1.061 -6.297 1.00 0.00 H new ATOM 0 HD11 LEU A 239 -3.679 2.884 -7.405 1.00 0.00 H new ATOM 0 HD12 LEU A 239 -2.150 2.558 -8.255 1.00 0.00 H new ATOM 0 HD13 LEU A 239 -3.686 1.956 -8.923 1.00 0.00 H new ATOM 0 HD21 LEU A 239 -4.895 1.023 -6.262 1.00 0.00 H new ATOM 0 HD22 LEU A 239 -4.902 0.095 -7.781 1.00 0.00 H new ATOM 0 HD23 LEU A 239 -4.231 -0.628 -6.299 1.00 0.00 H new ATOM 1108 N LYS A 240 -0.285 -2.676 -8.552 1.00 0.00 N ATOM 1109 CA LYS A 240 0.010 -3.909 -9.335 1.00 0.00 C ATOM 1110 C LYS A 240 0.088 -5.108 -8.395 1.00 0.00 C ATOM 1111 O LYS A 240 -0.695 -6.032 -8.489 1.00 0.00 O ATOM 1112 CB LYS A 240 1.361 -3.657 -9.993 1.00 0.00 C ATOM 1113 CG LYS A 240 1.783 -4.896 -10.787 1.00 0.00 C ATOM 1114 CD LYS A 240 0.749 -5.184 -11.877 1.00 0.00 C ATOM 1115 CE LYS A 240 1.385 -4.973 -13.253 1.00 0.00 C ATOM 1116 NZ LYS A 240 0.623 -5.867 -14.170 1.00 0.00 N ATOM 0 H LYS A 240 0.461 -1.981 -8.528 1.00 0.00 H new ATOM 0 HA LYS A 240 -0.761 -4.125 -10.075 1.00 0.00 H new ATOM 0 HB2 LYS A 240 1.300 -2.792 -10.654 1.00 0.00 H new ATOM 0 HB3 LYS A 240 2.109 -3.426 -9.235 1.00 0.00 H new ATOM 0 HG2 LYS A 240 2.764 -4.736 -11.235 1.00 0.00 H new ATOM 0 HG3 LYS A 240 1.873 -5.754 -10.121 1.00 0.00 H new ATOM 0 HD2 LYS A 240 0.385 -6.207 -11.786 1.00 0.00 H new ATOM 0 HD3 LYS A 240 -0.113 -4.527 -11.758 1.00 0.00 H new ATOM 0 HE2 LYS A 240 1.312 -3.931 -13.566 1.00 0.00 H new ATOM 0 HE3 LYS A 240 2.444 -5.229 -13.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 240 1.001 -5.778 -15.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 240 0.716 -6.852 -13.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 240 -0.381 -5.595 -14.165 1.00 0.00 H new ATOM 1130 N ARG A 241 1.011 -5.096 -7.473 1.00 0.00 N ATOM 1131 CA ARG A 241 1.102 -6.240 -6.524 1.00 0.00 C ATOM 1132 C ARG A 241 -0.125 -6.214 -5.617 1.00 0.00 C ATOM 1133 O ARG A 241 -0.617 -7.235 -5.177 1.00 0.00 O ATOM 1134 CB ARG A 241 2.380 -6.013 -5.720 1.00 0.00 C ATOM 1135 CG ARG A 241 3.528 -5.656 -6.666 1.00 0.00 C ATOM 1136 CD ARG A 241 4.815 -6.330 -6.183 1.00 0.00 C ATOM 1137 NE ARG A 241 5.310 -7.102 -7.355 1.00 0.00 N ATOM 1138 CZ ARG A 241 5.391 -8.402 -7.293 1.00 0.00 C ATOM 1139 NH1 ARG A 241 5.709 -8.985 -6.170 1.00 0.00 N ATOM 1140 NH2 ARG A 241 5.151 -9.122 -8.355 1.00 0.00 N ATOM 0 H ARG A 241 1.697 -4.354 -7.337 1.00 0.00 H new ATOM 0 HA ARG A 241 1.131 -7.208 -7.025 1.00 0.00 H new ATOM 0 HB2 ARG A 241 2.229 -5.211 -4.997 1.00 0.00 H new ATOM 0 HB3 ARG A 241 2.629 -6.910 -5.153 1.00 0.00 H new ATOM 0 HG2 ARG A 241 3.293 -5.981 -7.679 1.00 0.00 H new ATOM 0 HG3 ARG A 241 3.662 -4.575 -6.701 1.00 0.00 H new ATOM 0 HD2 ARG A 241 5.549 -5.592 -5.858 1.00 0.00 H new ATOM 0 HD3 ARG A 241 4.623 -6.984 -5.333 1.00 0.00 H new ATOM 0 HE ARG A 241 5.586 -6.614 -8.207 1.00 0.00 H new ATOM 0 HH11 ARG A 241 5.895 -8.424 -5.339 1.00 0.00 H new ATOM 0 HH12 ARG A 241 5.772 -10.002 -6.123 1.00 0.00 H new ATOM 0 HH21 ARG A 241 4.900 -8.668 -9.233 1.00 0.00 H new ATOM 0 HH22 ARG A 241 5.214 -10.139 -8.307 1.00 0.00 H new ATOM 1154 N LEU A 242 -0.637 -5.041 -5.359 1.00 0.00 N ATOM 1155 CA LEU A 242 -1.849 -4.920 -4.510 1.00 0.00 C ATOM 1156 C LEU A 242 -3.041 -5.468 -5.283 1.00 0.00 C ATOM 1157 O LEU A 242 -3.897 -6.139 -4.742 1.00 0.00 O ATOM 1158 CB LEU A 242 -2.009 -3.416 -4.274 1.00 0.00 C ATOM 1159 CG LEU A 242 -2.821 -3.166 -3.001 1.00 0.00 C ATOM 1160 CD1 LEU A 242 -4.022 -4.111 -2.963 1.00 0.00 C ATOM 1161 CD2 LEU A 242 -1.938 -3.409 -1.777 1.00 0.00 C ATOM 0 H LEU A 242 -0.262 -4.157 -5.704 1.00 0.00 H new ATOM 0 HA LEU A 242 -1.777 -5.469 -3.571 1.00 0.00 H new ATOM 0 HB2 LEU A 242 -1.029 -2.948 -4.187 1.00 0.00 H new ATOM 0 HB3 LEU A 242 -2.507 -2.957 -5.128 1.00 0.00 H new ATOM 0 HG LEU A 242 -3.175 -2.135 -2.994 1.00 0.00 H new ATOM 0 HD11 LEU A 242 -4.598 -3.931 -2.056 1.00 0.00 H new ATOM 0 HD12 LEU A 242 -4.652 -3.934 -3.834 1.00 0.00 H new ATOM 0 HD13 LEU A 242 -3.673 -5.144 -2.972 1.00 0.00 H new ATOM 0 HD21 LEU A 242 -2.516 -3.231 -0.870 1.00 0.00 H new ATOM 0 HD22 LEU A 242 -1.582 -4.439 -1.784 1.00 0.00 H new ATOM 0 HD23 LEU A 242 -1.085 -2.730 -1.803 1.00 0.00 H new ATOM 1173 N ASP A 243 -3.090 -5.198 -6.560 1.00 0.00 N ATOM 1174 CA ASP A 243 -4.218 -5.721 -7.379 1.00 0.00 C ATOM 1175 C ASP A 243 -4.183 -7.245 -7.338 1.00 0.00 C ATOM 1176 O ASP A 243 -5.177 -7.895 -7.081 1.00 0.00 O ATOM 1177 CB ASP A 243 -3.973 -5.218 -8.802 1.00 0.00 C ATOM 1178 CG ASP A 243 -4.611 -3.837 -8.974 1.00 0.00 C ATOM 1179 OD1 ASP A 243 -4.747 -3.141 -7.982 1.00 0.00 O ATOM 1180 OD2 ASP A 243 -4.951 -3.500 -10.097 1.00 0.00 O ATOM 0 H ASP A 243 -2.402 -4.642 -7.067 1.00 0.00 H new ATOM 0 HA ASP A 243 -5.190 -5.391 -7.013 1.00 0.00 H new ATOM 0 HB2 ASP A 243 -2.903 -5.163 -9.000 1.00 0.00 H new ATOM 0 HB3 ASP A 243 -4.395 -5.917 -9.524 1.00 0.00 H new ATOM 1185 N ASN A 244 -3.036 -7.818 -7.574 1.00 0.00 N ATOM 1186 CA ASN A 244 -2.931 -9.301 -7.529 1.00 0.00 C ATOM 1187 C ASN A 244 -3.203 -9.785 -6.103 1.00 0.00 C ATOM 1188 O ASN A 244 -3.551 -10.927 -5.879 1.00 0.00 O ATOM 1189 CB ASN A 244 -1.495 -9.616 -7.947 1.00 0.00 C ATOM 1190 CG ASN A 244 -1.439 -9.838 -9.459 1.00 0.00 C ATOM 1191 OD1 ASN A 244 -2.262 -9.183 -10.232 1.00 0.00 O flip ATOM 1192 ND2 ASN A 244 -0.641 -10.615 -9.942 1.00 0.00 N flip ATOM 0 H ASN A 244 -2.171 -7.325 -7.795 1.00 0.00 H new ATOM 0 HA ASN A 244 -3.650 -9.795 -8.183 1.00 0.00 H new ATOM 0 HB2 ASN A 244 -0.835 -8.796 -7.665 1.00 0.00 H new ATOM 0 HB3 ASN A 244 -1.140 -10.505 -7.425 1.00 0.00 H new ATOM 0 HD21 ASN A 244 0.002 -11.127 -9.338 1.00 0.00 H new ATOM 0 HD22 ASN A 244 -0.614 -10.756 -10.952 1.00 0.00 H new ATOM 1199 N TYR A 245 -3.068 -8.918 -5.134 1.00 0.00 N ATOM 1200 CA TYR A 245 -3.346 -9.331 -3.735 1.00 0.00 C ATOM 1201 C TYR A 245 -4.853 -9.289 -3.504 1.00 0.00 C ATOM 1202 O TYR A 245 -5.419 -10.133 -2.841 1.00 0.00 O ATOM 1203 CB TYR A 245 -2.643 -8.300 -2.853 1.00 0.00 C ATOM 1204 CG TYR A 245 -3.147 -8.442 -1.438 1.00 0.00 C ATOM 1205 CD1 TYR A 245 -2.518 -9.331 -0.559 1.00 0.00 C ATOM 1206 CD2 TYR A 245 -4.248 -7.692 -1.006 1.00 0.00 C ATOM 1207 CE1 TYR A 245 -2.986 -9.468 0.752 1.00 0.00 C ATOM 1208 CE2 TYR A 245 -4.718 -7.831 0.305 1.00 0.00 C ATOM 1209 CZ TYR A 245 -4.086 -8.718 1.184 1.00 0.00 C ATOM 1210 OH TYR A 245 -4.548 -8.856 2.476 1.00 0.00 O ATOM 0 H TYR A 245 -2.778 -7.947 -5.254 1.00 0.00 H new ATOM 0 HA TYR A 245 -2.995 -10.339 -3.515 1.00 0.00 H new ATOM 0 HB2 TYR A 245 -1.564 -8.450 -2.885 1.00 0.00 H new ATOM 0 HB3 TYR A 245 -2.837 -7.293 -3.223 1.00 0.00 H new ATOM 0 HD1 TYR A 245 -1.671 -9.912 -0.893 1.00 0.00 H new ATOM 0 HD2 TYR A 245 -4.734 -7.007 -1.684 1.00 0.00 H new ATOM 0 HE1 TYR A 245 -2.499 -10.152 1.431 1.00 0.00 H new ATOM 0 HE2 TYR A 245 -5.568 -7.254 0.638 1.00 0.00 H new ATOM 0 HH TYR A 245 -5.526 -8.797 2.482 1.00 0.00 H new ATOM 1220 N CYS A 246 -5.508 -8.309 -4.065 1.00 0.00 N ATOM 1221 CA CYS A 246 -6.980 -8.209 -3.898 1.00 0.00 C ATOM 1222 C CYS A 246 -7.652 -9.360 -4.645 1.00 0.00 C ATOM 1223 O CYS A 246 -8.686 -9.856 -4.248 1.00 0.00 O ATOM 1224 CB CYS A 246 -7.363 -6.866 -4.517 1.00 0.00 C ATOM 1225 SG CYS A 246 -7.156 -5.552 -3.289 1.00 0.00 S ATOM 0 H CYS A 246 -5.084 -7.574 -4.632 1.00 0.00 H new ATOM 0 HA CYS A 246 -7.292 -8.270 -2.855 1.00 0.00 H new ATOM 0 HB2 CYS A 246 -6.740 -6.665 -5.389 1.00 0.00 H new ATOM 0 HB3 CYS A 246 -8.396 -6.895 -4.863 1.00 0.00 H new ATOM 0 HG CYS A 246 -6.217 -5.883 -2.453 1.00 0.00 H new ATOM 1231 N LYS A 247 -7.062 -9.795 -5.723 1.00 0.00 N ATOM 1232 CA LYS A 247 -7.658 -10.920 -6.487 1.00 0.00 C ATOM 1233 C LYS A 247 -7.272 -12.241 -5.820 1.00 0.00 C ATOM 1234 O LYS A 247 -7.959 -13.237 -5.935 1.00 0.00 O ATOM 1235 CB LYS A 247 -7.071 -10.800 -7.904 1.00 0.00 C ATOM 1236 CG LYS A 247 -5.727 -11.531 -7.992 1.00 0.00 C ATOM 1237 CD LYS A 247 -5.232 -11.509 -9.439 1.00 0.00 C ATOM 1238 CE LYS A 247 -4.606 -12.863 -9.786 1.00 0.00 C ATOM 1239 NZ LYS A 247 -5.608 -13.537 -10.658 1.00 0.00 N ATOM 0 H LYS A 247 -6.194 -9.419 -6.106 1.00 0.00 H new ATOM 0 HA LYS A 247 -8.747 -10.890 -6.518 1.00 0.00 H new ATOM 0 HB2 LYS A 247 -7.768 -11.220 -8.629 1.00 0.00 H new ATOM 0 HB3 LYS A 247 -6.938 -9.749 -8.161 1.00 0.00 H new ATOM 0 HG2 LYS A 247 -4.997 -11.053 -7.339 1.00 0.00 H new ATOM 0 HG3 LYS A 247 -5.837 -12.560 -7.649 1.00 0.00 H new ATOM 0 HD2 LYS A 247 -6.060 -11.296 -10.115 1.00 0.00 H new ATOM 0 HD3 LYS A 247 -4.499 -10.713 -9.572 1.00 0.00 H new ATOM 0 HE2 LYS A 247 -3.654 -12.737 -10.302 1.00 0.00 H new ATOM 0 HE3 LYS A 247 -4.407 -13.448 -8.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 247 -5.251 -14.473 -10.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 247 -6.502 -13.649 -10.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 247 -5.772 -12.961 -11.508 1.00 0.00 H new ATOM 1253 N GLN A 248 -6.181 -12.244 -5.108 1.00 0.00 N ATOM 1254 CA GLN A 248 -5.748 -13.484 -4.411 1.00 0.00 C ATOM 1255 C GLN A 248 -6.249 -13.462 -2.965 1.00 0.00 C ATOM 1256 O GLN A 248 -6.075 -14.408 -2.223 1.00 0.00 O ATOM 1257 CB GLN A 248 -4.221 -13.447 -4.453 1.00 0.00 C ATOM 1258 CG GLN A 248 -3.674 -14.875 -4.471 1.00 0.00 C ATOM 1259 CD GLN A 248 -2.604 -15.024 -3.388 1.00 0.00 C ATOM 1260 OE1 GLN A 248 -2.885 -15.486 -2.300 1.00 0.00 O ATOM 1261 NE2 GLN A 248 -1.380 -14.650 -3.641 1.00 0.00 N ATOM 0 H GLN A 248 -5.569 -11.438 -4.979 1.00 0.00 H new ATOM 0 HA GLN A 248 -6.142 -14.388 -4.876 1.00 0.00 H new ATOM 0 HB2 GLN A 248 -3.884 -12.907 -5.338 1.00 0.00 H new ATOM 0 HB3 GLN A 248 -3.836 -12.910 -3.586 1.00 0.00 H new ATOM 0 HG2 GLN A 248 -4.481 -15.587 -4.300 1.00 0.00 H new ATOM 0 HG3 GLN A 248 -3.251 -15.101 -5.449 1.00 0.00 H new ATOM 0 HE21 GLN A 248 -1.144 -14.262 -4.554 1.00 0.00 H new ATOM 0 HE22 GLN A 248 -0.659 -14.746 -2.926 1.00 0.00 H new ATOM 1270 N PHE A 249 -6.867 -12.383 -2.556 1.00 0.00 N ATOM 1271 CA PHE A 249 -7.370 -12.305 -1.153 1.00 0.00 C ATOM 1272 C PHE A 249 -8.728 -11.589 -1.077 1.00 0.00 C ATOM 1273 O PHE A 249 -9.415 -11.677 -0.079 1.00 0.00 O ATOM 1274 CB PHE A 249 -6.312 -11.501 -0.397 1.00 0.00 C ATOM 1275 CG PHE A 249 -5.041 -12.306 -0.292 1.00 0.00 C ATOM 1276 CD1 PHE A 249 -4.997 -13.441 0.525 1.00 0.00 C ATOM 1277 CD2 PHE A 249 -3.905 -11.916 -1.009 1.00 0.00 C ATOM 1278 CE1 PHE A 249 -3.818 -14.188 0.625 1.00 0.00 C ATOM 1279 CE2 PHE A 249 -2.724 -12.662 -0.911 1.00 0.00 C ATOM 1280 CZ PHE A 249 -2.681 -13.798 -0.093 1.00 0.00 C ATOM 0 H PHE A 249 -7.044 -11.558 -3.129 1.00 0.00 H new ATOM 0 HA PHE A 249 -7.524 -13.299 -0.734 1.00 0.00 H new ATOM 0 HB2 PHE A 249 -6.117 -10.561 -0.914 1.00 0.00 H new ATOM 0 HB3 PHE A 249 -6.677 -11.247 0.598 1.00 0.00 H new ATOM 0 HD1 PHE A 249 -5.874 -13.741 1.079 1.00 0.00 H new ATOM 0 HD2 PHE A 249 -3.939 -11.039 -1.638 1.00 0.00 H new ATOM 0 HE1 PHE A 249 -3.785 -15.064 1.255 1.00 0.00 H new ATOM 0 HE2 PHE A 249 -1.847 -12.362 -1.466 1.00 0.00 H new ATOM 0 HZ PHE A 249 -1.770 -14.373 -0.016 1.00 0.00 H new ATOM 1290 N ILE A 250 -9.129 -10.873 -2.098 1.00 0.00 N ATOM 1291 CA ILE A 250 -10.443 -10.168 -2.015 1.00 0.00 C ATOM 1292 C ILE A 250 -11.368 -10.597 -3.161 1.00 0.00 C ATOM 1293 O ILE A 250 -12.572 -10.479 -3.067 1.00 0.00 O ATOM 1294 CB ILE A 250 -10.100 -8.672 -2.099 1.00 0.00 C ATOM 1295 CG1 ILE A 250 -9.820 -8.143 -0.691 1.00 0.00 C ATOM 1296 CG2 ILE A 250 -11.270 -7.887 -2.700 1.00 0.00 C ATOM 1297 CD1 ILE A 250 -8.415 -7.543 -0.637 1.00 0.00 C ATOM 0 H ILE A 250 -8.614 -10.748 -2.969 1.00 0.00 H new ATOM 0 HA ILE A 250 -10.979 -10.405 -1.096 1.00 0.00 H new ATOM 0 HB ILE A 250 -9.223 -8.547 -2.734 1.00 0.00 H new ATOM 0 HG12 ILE A 250 -10.559 -7.388 -0.422 1.00 0.00 H new ATOM 0 HG13 ILE A 250 -9.910 -8.950 0.036 1.00 0.00 H new ATOM 0 HG21 ILE A 250 -11.010 -6.830 -2.752 1.00 0.00 H new ATOM 0 HG22 ILE A 250 -11.481 -8.259 -3.703 1.00 0.00 H new ATOM 0 HG23 ILE A 250 -12.153 -8.013 -2.073 1.00 0.00 H new ATOM 0 HD11 ILE A 250 -8.218 -7.167 0.367 1.00 0.00 H new ATOM 0 HD12 ILE A 250 -7.682 -8.310 -0.887 1.00 0.00 H new ATOM 0 HD13 ILE A 250 -8.342 -6.724 -1.352 1.00 0.00 H new ATOM 1309 N ILE A 251 -10.828 -11.090 -4.239 1.00 0.00 N ATOM 1310 CA ILE A 251 -11.709 -11.511 -5.367 1.00 0.00 C ATOM 1311 C ILE A 251 -11.224 -12.837 -5.957 1.00 0.00 C ATOM 1312 O ILE A 251 -10.309 -13.457 -5.454 1.00 0.00 O ATOM 1313 CB ILE A 251 -11.611 -10.391 -6.406 1.00 0.00 C ATOM 1314 CG1 ILE A 251 -11.538 -9.032 -5.703 1.00 0.00 C ATOM 1315 CG2 ILE A 251 -12.850 -10.422 -7.302 1.00 0.00 C ATOM 1316 CD1 ILE A 251 -11.477 -7.920 -6.750 1.00 0.00 C ATOM 0 H ILE A 251 -9.828 -11.220 -4.389 1.00 0.00 H new ATOM 0 HA ILE A 251 -12.737 -11.667 -5.041 1.00 0.00 H new ATOM 0 HB ILE A 251 -10.713 -10.538 -7.006 1.00 0.00 H new ATOM 0 HG12 ILE A 251 -12.409 -8.895 -5.062 1.00 0.00 H new ATOM 0 HG13 ILE A 251 -10.659 -8.990 -5.060 1.00 0.00 H new ATOM 0 HG21 ILE A 251 -12.783 -9.625 -8.043 1.00 0.00 H new ATOM 0 HG22 ILE A 251 -12.908 -11.385 -7.809 1.00 0.00 H new ATOM 0 HG23 ILE A 251 -13.743 -10.277 -6.694 1.00 0.00 H new ATOM 0 HD11 ILE A 251 -11.425 -6.953 -6.251 1.00 0.00 H new ATOM 0 HD12 ILE A 251 -10.593 -8.055 -7.373 1.00 0.00 H new ATOM 0 HD13 ILE A 251 -12.370 -7.959 -7.374 1.00 0.00 H new