USER MOD reduce.3.24.130724 H: found=0, std=0, add=372, rem=0, adj=10 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 244 ASN : amide:sc= -1.07 K(o=-1.7,f=-0.34) USER MOD Set 1.2: A 248 GLN : amide:sc= -0.639 K(o=-1.7,f=-0.34) USER MOD Set 2.1: A 230 TYR OH : rot -37:sc= -3.54! USER MOD Set 2.2: A 246 CYS SG : rot 142:sc= -0.472 USER MOD Set 3.1: A 229 THR OG1 : rot 180:sc= 0.53 USER MOD Set 3.2: A 232 SER OG : rot 107:sc= 0.584 USER MOD Set 4.1: A 185 HIS : no HD1:sc= -3.51 K(o=-7,f=-23!) USER MOD Set 4.2: A 245 TYR OH : rot -158:sc= -3.5! USER MOD Single : A 184 ASN : amide:sc= 0.0702 K(o=0.07,f=-2.6!) USER MOD Single : A 210 ASN : amide:sc= -0.152 X(o=-0.15,f=-0.016) USER MOD Single : A 211 TYR OH : rot 180:sc= 0 USER MOD Single : A 216 LYS NZ :NH3+ -163:sc= -0.0124 (180deg=-0.56) USER MOD Single : A 225 ASN : amide:sc= -1.49! K(o=-1.5!,f=0.42) USER MOD Single : A 226 THR OG1 : rot -80:sc= 0.592! USER MOD Single : A 235 GLN : amide:sc= -0.447 X(o=-0.45,f=0) USER MOD Single : A 240 LYS NZ :NH3+ 150:sc= -0.111 (180deg=-1.45!) USER MOD Single : A 247 LYS NZ :NH3+ -111:sc= -0.0235 (180deg=-0.327) USER MOD ----------------------------------------------------------------- ATOM 105 N ILE A 179 6.009 -1.239 -3.898 1.00 0.00 N ATOM 106 CA ILE A 179 5.404 -2.282 -3.020 1.00 0.00 C ATOM 107 C ILE A 179 6.115 -3.627 -3.215 1.00 0.00 C ATOM 108 O ILE A 179 6.351 -4.057 -4.327 1.00 0.00 O ATOM 109 CB ILE A 179 3.924 -2.343 -3.456 1.00 0.00 C ATOM 110 CG1 ILE A 179 3.033 -2.246 -2.223 1.00 0.00 C ATOM 111 CG2 ILE A 179 3.604 -3.655 -4.187 1.00 0.00 C ATOM 112 CD1 ILE A 179 1.566 -2.316 -2.649 1.00 0.00 C ATOM 0 HA ILE A 179 5.499 -2.051 -1.959 1.00 0.00 H new ATOM 0 HB ILE A 179 3.741 -1.512 -4.137 1.00 0.00 H new ATOM 0 HG12 ILE A 179 3.261 -3.057 -1.531 1.00 0.00 H new ATOM 0 HG13 ILE A 179 3.225 -1.312 -1.694 1.00 0.00 H new ATOM 0 HG21 ILE A 179 2.554 -3.662 -4.479 1.00 0.00 H new ATOM 0 HG22 ILE A 179 4.228 -3.737 -5.077 1.00 0.00 H new ATOM 0 HG23 ILE A 179 3.803 -4.498 -3.525 1.00 0.00 H new ATOM 0 HD11 ILE A 179 0.928 -2.247 -1.768 1.00 0.00 H new ATOM 0 HD12 ILE A 179 1.343 -1.490 -3.324 1.00 0.00 H new ATOM 0 HD13 ILE A 179 1.380 -3.261 -3.159 1.00 0.00 H new ATOM 124 N ASP A 180 6.441 -4.302 -2.147 1.00 0.00 N ATOM 125 CA ASP A 180 7.115 -5.620 -2.290 1.00 0.00 C ATOM 126 C ASP A 180 6.082 -6.732 -2.136 1.00 0.00 C ATOM 127 O ASP A 180 6.026 -7.652 -2.926 1.00 0.00 O ATOM 128 CB ASP A 180 8.145 -5.678 -1.162 1.00 0.00 C ATOM 129 CG ASP A 180 9.341 -6.521 -1.606 1.00 0.00 C ATOM 130 OD1 ASP A 180 9.214 -7.735 -1.620 1.00 0.00 O ATOM 131 OD2 ASP A 180 10.365 -5.939 -1.927 1.00 0.00 O ATOM 0 H ASP A 180 6.271 -3.999 -1.188 1.00 0.00 H new ATOM 0 HA ASP A 180 7.590 -5.744 -3.263 1.00 0.00 H new ATOM 0 HB2 ASP A 180 8.473 -4.671 -0.902 1.00 0.00 H new ATOM 0 HB3 ASP A 180 7.696 -6.108 -0.267 1.00 0.00 H new ATOM 136 N ILE A 181 5.261 -6.653 -1.125 1.00 0.00 N ATOM 137 CA ILE A 181 4.234 -7.712 -0.922 1.00 0.00 C ATOM 138 C ILE A 181 3.064 -7.190 -0.078 1.00 0.00 C ATOM 139 O ILE A 181 3.238 -6.401 0.826 1.00 0.00 O ATOM 140 CB ILE A 181 4.971 -8.813 -0.157 1.00 0.00 C ATOM 141 CG1 ILE A 181 5.844 -9.627 -1.114 1.00 0.00 C ATOM 142 CG2 ILE A 181 3.956 -9.744 0.517 1.00 0.00 C ATOM 143 CD1 ILE A 181 6.460 -10.802 -0.355 1.00 0.00 C ATOM 0 H ILE A 181 5.257 -5.903 -0.433 1.00 0.00 H new ATOM 0 HA ILE A 181 3.812 -8.055 -1.866 1.00 0.00 H new ATOM 0 HB ILE A 181 5.604 -8.350 0.600 1.00 0.00 H new ATOM 0 HG12 ILE A 181 5.247 -9.991 -1.950 1.00 0.00 H new ATOM 0 HG13 ILE A 181 6.629 -8.998 -1.534 1.00 0.00 H new ATOM 0 HG21 ILE A 181 4.485 -10.527 1.061 1.00 0.00 H new ATOM 0 HG22 ILE A 181 3.342 -9.171 1.212 1.00 0.00 H new ATOM 0 HG23 ILE A 181 3.318 -10.197 -0.242 1.00 0.00 H new ATOM 0 HD11 ILE A 181 7.083 -11.386 -1.032 1.00 0.00 H new ATOM 0 HD12 ILE A 181 7.070 -10.425 0.466 1.00 0.00 H new ATOM 0 HD13 ILE A 181 5.666 -11.434 0.043 1.00 0.00 H new ATOM 155 N VAL A 182 1.881 -7.662 -0.351 1.00 0.00 N ATOM 156 CA VAL A 182 0.699 -7.241 0.454 1.00 0.00 C ATOM 157 C VAL A 182 0.492 -8.261 1.579 1.00 0.00 C ATOM 158 O VAL A 182 -0.132 -9.287 1.396 1.00 0.00 O ATOM 159 CB VAL A 182 -0.473 -7.249 -0.528 1.00 0.00 C ATOM 160 CG1 VAL A 182 -1.689 -6.583 0.120 1.00 0.00 C ATOM 161 CG2 VAL A 182 -0.074 -6.472 -1.785 1.00 0.00 C ATOM 0 H VAL A 182 1.680 -8.324 -1.100 1.00 0.00 H new ATOM 0 HA VAL A 182 0.811 -6.260 0.915 1.00 0.00 H new ATOM 0 HB VAL A 182 -0.725 -8.276 -0.793 1.00 0.00 H new ATOM 0 HG11 VAL A 182 -2.524 -6.589 -0.581 1.00 0.00 H new ATOM 0 HG12 VAL A 182 -1.967 -7.131 1.020 1.00 0.00 H new ATOM 0 HG13 VAL A 182 -1.443 -5.554 0.383 1.00 0.00 H new ATOM 0 HG21 VAL A 182 -0.904 -6.472 -2.492 1.00 0.00 H new ATOM 0 HG22 VAL A 182 0.172 -5.445 -1.515 1.00 0.00 H new ATOM 0 HG23 VAL A 182 0.794 -6.945 -2.245 1.00 0.00 H new ATOM 171 N ILE A 183 1.041 -7.996 2.735 1.00 0.00 N ATOM 172 CA ILE A 183 0.915 -8.954 3.873 1.00 0.00 C ATOM 173 C ILE A 183 -0.552 -9.267 4.172 1.00 0.00 C ATOM 174 O ILE A 183 -0.904 -10.387 4.485 1.00 0.00 O ATOM 175 CB ILE A 183 1.561 -8.235 5.059 1.00 0.00 C ATOM 176 CG1 ILE A 183 3.035 -7.968 4.752 1.00 0.00 C ATOM 177 CG2 ILE A 183 1.459 -9.108 6.310 1.00 0.00 C ATOM 178 CD1 ILE A 183 3.773 -9.297 4.588 1.00 0.00 C ATOM 0 H ILE A 183 1.575 -7.152 2.941 1.00 0.00 H new ATOM 0 HA ILE A 183 1.392 -9.909 3.654 1.00 0.00 H new ATOM 0 HB ILE A 183 1.044 -7.291 5.231 1.00 0.00 H new ATOM 0 HG12 ILE A 183 3.126 -7.375 3.842 1.00 0.00 H new ATOM 0 HG13 ILE A 183 3.485 -7.387 5.557 1.00 0.00 H new ATOM 0 HG21 ILE A 183 1.920 -8.592 7.152 1.00 0.00 H new ATOM 0 HG22 ILE A 183 0.410 -9.302 6.534 1.00 0.00 H new ATOM 0 HG23 ILE A 183 1.974 -10.053 6.137 1.00 0.00 H new ATOM 0 HD11 ILE A 183 4.823 -9.105 4.369 1.00 0.00 H new ATOM 0 HD12 ILE A 183 3.694 -9.873 5.510 1.00 0.00 H new ATOM 0 HD13 ILE A 183 3.329 -9.861 3.768 1.00 0.00 H new ATOM 190 N ASN A 184 -1.405 -8.290 4.088 1.00 0.00 N ATOM 191 CA ASN A 184 -2.847 -8.533 4.378 1.00 0.00 C ATOM 192 C ASN A 184 -3.642 -7.245 4.162 1.00 0.00 C ATOM 193 O ASN A 184 -3.142 -6.285 3.610 1.00 0.00 O ATOM 194 CB ASN A 184 -2.891 -8.959 5.846 1.00 0.00 C ATOM 195 CG ASN A 184 -3.844 -10.145 6.004 1.00 0.00 C ATOM 196 OD1 ASN A 184 -4.924 -10.149 5.448 1.00 0.00 O ATOM 197 ND2 ASN A 184 -3.489 -11.160 6.744 1.00 0.00 N ATOM 0 H ASN A 184 -1.169 -7.331 3.831 1.00 0.00 H new ATOM 0 HA ASN A 184 -3.283 -9.291 3.727 1.00 0.00 H new ATOM 0 HB2 ASN A 184 -1.892 -9.233 6.186 1.00 0.00 H new ATOM 0 HB3 ASN A 184 -3.222 -8.127 6.467 1.00 0.00 H new ATOM 0 HD21 ASN A 184 -4.118 -11.955 6.855 1.00 0.00 H new ATOM 0 HD22 ASN A 184 -2.582 -11.158 7.211 1.00 0.00 H new ATOM 204 N HIS A 185 -4.875 -7.208 4.587 1.00 0.00 N ATOM 205 CA HIS A 185 -5.676 -5.968 4.392 1.00 0.00 C ATOM 206 C HIS A 185 -6.932 -5.990 5.269 1.00 0.00 C ATOM 207 O HIS A 185 -7.167 -6.920 6.013 1.00 0.00 O ATOM 208 CB HIS A 185 -6.049 -5.977 2.905 1.00 0.00 C ATOM 209 CG HIS A 185 -7.238 -6.875 2.677 1.00 0.00 C ATOM 210 ND1 HIS A 185 -7.120 -8.250 2.554 1.00 0.00 N ATOM 211 CD2 HIS A 185 -8.575 -6.604 2.558 1.00 0.00 C ATOM 212 CE1 HIS A 185 -8.356 -8.750 2.368 1.00 0.00 C ATOM 213 NE2 HIS A 185 -9.280 -7.787 2.361 1.00 0.00 N ATOM 0 H HIS A 185 -5.358 -7.974 5.056 1.00 0.00 H new ATOM 0 HA HIS A 185 -5.124 -5.071 4.672 1.00 0.00 H new ATOM 0 HB2 HIS A 185 -6.279 -4.964 2.573 1.00 0.00 H new ATOM 0 HB3 HIS A 185 -5.203 -6.323 2.311 1.00 0.00 H new ATOM 0 HD2 HIS A 185 -9.016 -5.619 2.609 1.00 0.00 H new ATOM 0 HE1 HIS A 185 -8.573 -9.800 2.240 1.00 0.00 H new ATOM 0 HE2 HIS A 185 -10.287 -7.895 2.238 1.00 0.00 H new ATOM 221 N ARG A 186 -7.740 -4.970 5.169 1.00 0.00 N ATOM 222 CA ARG A 186 -8.990 -4.913 5.978 1.00 0.00 C ATOM 223 C ARG A 186 -9.621 -3.523 5.863 1.00 0.00 C ATOM 224 O ARG A 186 -8.999 -2.587 5.401 1.00 0.00 O ATOM 225 CB ARG A 186 -8.559 -5.189 7.420 1.00 0.00 C ATOM 226 CG ARG A 186 -7.266 -4.431 7.730 1.00 0.00 C ATOM 227 CD ARG A 186 -7.412 -3.711 9.073 1.00 0.00 C ATOM 228 NE ARG A 186 -6.119 -3.935 9.777 1.00 0.00 N ATOM 229 CZ ARG A 186 -6.010 -3.639 11.044 1.00 0.00 C ATOM 230 NH1 ARG A 186 -6.323 -2.443 11.462 1.00 0.00 N ATOM 231 NH2 ARG A 186 -5.589 -4.537 11.892 1.00 0.00 N ATOM 0 H ARG A 186 -7.586 -4.168 4.557 1.00 0.00 H new ATOM 0 HA ARG A 186 -9.732 -5.635 5.638 1.00 0.00 H new ATOM 0 HB2 ARG A 186 -9.345 -4.882 8.109 1.00 0.00 H new ATOM 0 HB3 ARG A 186 -8.408 -6.259 7.565 1.00 0.00 H new ATOM 0 HG2 ARG A 186 -6.425 -5.123 7.765 1.00 0.00 H new ATOM 0 HG3 ARG A 186 -7.054 -3.711 6.939 1.00 0.00 H new ATOM 0 HD2 ARG A 186 -7.604 -2.648 8.931 1.00 0.00 H new ATOM 0 HD3 ARG A 186 -8.248 -4.112 9.646 1.00 0.00 H new ATOM 0 HE ARG A 186 -5.321 -4.319 9.271 1.00 0.00 H new ATOM 0 HH11 ARG A 186 -6.652 -1.741 10.799 1.00 0.00 H new ATOM 0 HH12 ARG A 186 -6.238 -2.210 12.451 1.00 0.00 H new ATOM 0 HH21 ARG A 186 -5.344 -5.472 11.565 1.00 0.00 H new ATOM 0 HH22 ARG A 186 -5.504 -4.304 12.881 1.00 0.00 H new ATOM 612 N ASN A 210 -13.250 1.224 0.222 1.00 0.00 N ATOM 613 CA ASN A 210 -13.211 1.304 1.712 1.00 0.00 C ATOM 614 C ASN A 210 -12.407 0.140 2.296 1.00 0.00 C ATOM 615 O ASN A 210 -12.947 -0.741 2.935 1.00 0.00 O ATOM 616 CB ASN A 210 -14.673 1.219 2.150 1.00 0.00 C ATOM 617 CG ASN A 210 -15.264 2.628 2.226 1.00 0.00 C ATOM 618 OD1 ASN A 210 -16.279 2.906 1.617 1.00 0.00 O ATOM 619 ND2 ASN A 210 -14.670 3.534 2.953 1.00 0.00 N ATOM 0 HA ASN A 210 -12.730 2.219 2.059 1.00 0.00 H new ATOM 0 HB2 ASN A 210 -15.241 0.612 1.444 1.00 0.00 H new ATOM 0 HB3 ASN A 210 -14.745 0.730 3.121 1.00 0.00 H new ATOM 0 HD21 ASN A 210 -15.057 4.476 3.011 1.00 0.00 H new ATOM 0 HD22 ASN A 210 -13.819 3.300 3.464 1.00 0.00 H new ATOM 626 N TYR A 211 -11.120 0.127 2.082 1.00 0.00 N ATOM 627 CA TYR A 211 -10.289 -0.983 2.630 1.00 0.00 C ATOM 628 C TYR A 211 -8.806 -0.598 2.657 1.00 0.00 C ATOM 629 O TYR A 211 -8.292 0.010 1.738 1.00 0.00 O ATOM 630 CB TYR A 211 -10.504 -2.146 1.668 1.00 0.00 C ATOM 631 CG TYR A 211 -11.430 -3.163 2.287 1.00 0.00 C ATOM 632 CD1 TYR A 211 -10.915 -4.142 3.141 1.00 0.00 C ATOM 633 CD2 TYR A 211 -12.801 -3.134 2.001 1.00 0.00 C ATOM 634 CE1 TYR A 211 -11.767 -5.094 3.712 1.00 0.00 C ATOM 635 CE2 TYR A 211 -13.656 -4.085 2.570 1.00 0.00 C ATOM 636 CZ TYR A 211 -13.138 -5.066 3.427 1.00 0.00 C ATOM 637 OH TYR A 211 -13.978 -6.004 3.988 1.00 0.00 O ATOM 0 H TYR A 211 -10.609 0.834 1.553 1.00 0.00 H new ATOM 0 HA TYR A 211 -10.570 -1.226 3.655 1.00 0.00 H new ATOM 0 HB2 TYR A 211 -10.925 -1.781 0.731 1.00 0.00 H new ATOM 0 HB3 TYR A 211 -9.548 -2.611 1.427 1.00 0.00 H new ATOM 0 HD1 TYR A 211 -9.858 -4.164 3.361 1.00 0.00 H new ATOM 0 HD2 TYR A 211 -13.199 -2.377 1.341 1.00 0.00 H new ATOM 0 HE1 TYR A 211 -11.368 -5.850 4.372 1.00 0.00 H new ATOM 0 HE2 TYR A 211 -14.713 -4.063 2.349 1.00 0.00 H new ATOM 0 HH TYR A 211 -14.897 -5.842 3.688 1.00 0.00 H new ATOM 647 N GLU A 212 -8.109 -0.973 3.695 1.00 0.00 N ATOM 648 CA GLU A 212 -6.654 -0.664 3.778 1.00 0.00 C ATOM 649 C GLU A 212 -5.863 -1.900 3.350 1.00 0.00 C ATOM 650 O GLU A 212 -6.434 -2.915 3.003 1.00 0.00 O ATOM 651 CB GLU A 212 -6.397 -0.342 5.252 1.00 0.00 C ATOM 652 CG GLU A 212 -5.925 1.105 5.390 1.00 0.00 C ATOM 653 CD GLU A 212 -5.544 1.382 6.845 1.00 0.00 C ATOM 654 OE1 GLU A 212 -5.100 0.459 7.507 1.00 0.00 O ATOM 655 OE2 GLU A 212 -5.703 2.513 7.274 1.00 0.00 O ATOM 0 H GLU A 212 -8.488 -1.483 4.493 1.00 0.00 H new ATOM 0 HA GLU A 212 -6.355 0.163 3.134 1.00 0.00 H new ATOM 0 HB2 GLU A 212 -7.308 -0.494 5.831 1.00 0.00 H new ATOM 0 HB3 GLU A 212 -5.645 -1.020 5.656 1.00 0.00 H new ATOM 0 HG2 GLU A 212 -5.069 1.283 4.739 1.00 0.00 H new ATOM 0 HG3 GLU A 212 -6.714 1.788 5.073 1.00 0.00 H new ATOM 662 N PHE A 213 -4.564 -1.840 3.370 1.00 0.00 N ATOM 663 CA PHE A 213 -3.774 -3.035 2.958 1.00 0.00 C ATOM 664 C PHE A 213 -2.404 -3.041 3.633 1.00 0.00 C ATOM 665 O PHE A 213 -1.647 -2.097 3.515 1.00 0.00 O ATOM 666 CB PHE A 213 -3.580 -2.887 1.450 1.00 0.00 C ATOM 667 CG PHE A 213 -4.883 -3.111 0.729 1.00 0.00 C ATOM 668 CD1 PHE A 213 -5.250 -4.402 0.336 1.00 0.00 C ATOM 669 CD2 PHE A 213 -5.717 -2.025 0.440 1.00 0.00 C ATOM 670 CE1 PHE A 213 -6.454 -4.609 -0.344 1.00 0.00 C ATOM 671 CE2 PHE A 213 -6.921 -2.231 -0.242 1.00 0.00 C ATOM 672 CZ PHE A 213 -7.289 -3.524 -0.634 1.00 0.00 C ATOM 0 H PHE A 213 -4.017 -1.026 3.650 1.00 0.00 H new ATOM 0 HA PHE A 213 -4.284 -3.958 3.235 1.00 0.00 H new ATOM 0 HB2 PHE A 213 -3.197 -1.892 1.222 1.00 0.00 H new ATOM 0 HB3 PHE A 213 -2.836 -3.603 1.101 1.00 0.00 H new ATOM 0 HD1 PHE A 213 -4.604 -5.239 0.558 1.00 0.00 H new ATOM 0 HD2 PHE A 213 -5.431 -1.029 0.743 1.00 0.00 H new ATOM 0 HE1 PHE A 213 -6.740 -5.606 -0.645 1.00 0.00 H new ATOM 0 HE2 PHE A 213 -7.566 -1.394 -0.466 1.00 0.00 H new ATOM 0 HZ PHE A 213 -8.218 -3.684 -1.161 1.00 0.00 H new ATOM 682 N LEU A 214 -2.050 -4.102 4.303 1.00 0.00 N ATOM 683 CA LEU A 214 -0.700 -4.136 4.923 1.00 0.00 C ATOM 684 C LEU A 214 0.313 -4.258 3.801 1.00 0.00 C ATOM 685 O LEU A 214 0.352 -5.242 3.090 1.00 0.00 O ATOM 686 CB LEU A 214 -0.673 -5.376 5.816 1.00 0.00 C ATOM 687 CG LEU A 214 0.543 -5.347 6.758 1.00 0.00 C ATOM 688 CD1 LEU A 214 0.848 -3.924 7.230 1.00 0.00 C ATOM 689 CD2 LEU A 214 0.248 -6.229 7.970 1.00 0.00 C ATOM 0 H LEU A 214 -2.626 -4.932 4.446 1.00 0.00 H new ATOM 0 HA LEU A 214 -0.472 -3.246 5.510 1.00 0.00 H new ATOM 0 HB2 LEU A 214 -1.591 -5.427 6.402 1.00 0.00 H new ATOM 0 HB3 LEU A 214 -0.638 -6.273 5.198 1.00 0.00 H new ATOM 0 HG LEU A 214 1.413 -5.717 6.215 1.00 0.00 H new ATOM 0 HD11 LEU A 214 1.712 -3.938 7.894 1.00 0.00 H new ATOM 0 HD12 LEU A 214 1.063 -3.293 6.368 1.00 0.00 H new ATOM 0 HD13 LEU A 214 -0.014 -3.526 7.765 1.00 0.00 H new ATOM 0 HD21 LEU A 214 1.103 -6.217 8.646 1.00 0.00 H new ATOM 0 HD22 LEU A 214 -0.631 -5.850 8.491 1.00 0.00 H new ATOM 0 HD23 LEU A 214 0.061 -7.251 7.640 1.00 0.00 H new ATOM 701 N ILE A 215 1.100 -3.251 3.599 1.00 0.00 N ATOM 702 CA ILE A 215 2.062 -3.305 2.478 1.00 0.00 C ATOM 703 C ILE A 215 3.474 -3.666 2.934 1.00 0.00 C ATOM 704 O ILE A 215 4.168 -2.865 3.528 1.00 0.00 O ATOM 705 CB ILE A 215 2.060 -1.898 1.903 1.00 0.00 C ATOM 706 CG1 ILE A 215 0.623 -1.388 1.752 1.00 0.00 C ATOM 707 CG2 ILE A 215 2.747 -1.929 0.547 1.00 0.00 C ATOM 708 CD1 ILE A 215 -0.195 -2.381 0.931 1.00 0.00 C ATOM 0 H ILE A 215 1.120 -2.397 4.157 1.00 0.00 H new ATOM 0 HA ILE A 215 1.774 -4.073 1.760 1.00 0.00 H new ATOM 0 HB ILE A 215 2.592 -1.225 2.575 1.00 0.00 H new ATOM 0 HG12 ILE A 215 0.170 -1.254 2.734 1.00 0.00 H new ATOM 0 HG13 ILE A 215 0.623 -0.413 1.265 1.00 0.00 H new ATOM 0 HG21 ILE A 215 2.754 -0.926 0.120 1.00 0.00 H new ATOM 0 HG22 ILE A 215 3.772 -2.280 0.666 1.00 0.00 H new ATOM 0 HG23 ILE A 215 2.208 -2.603 -0.119 1.00 0.00 H new ATOM 0 HD11 ILE A 215 -1.216 -2.013 0.827 1.00 0.00 H new ATOM 0 HD12 ILE A 215 0.253 -2.493 -0.056 1.00 0.00 H new ATOM 0 HD13 ILE A 215 -0.207 -3.347 1.435 1.00 0.00 H new ATOM 720 N LYS A 216 3.925 -4.846 2.615 1.00 0.00 N ATOM 721 CA LYS A 216 5.318 -5.220 2.980 1.00 0.00 C ATOM 722 C LYS A 216 6.269 -4.505 2.013 1.00 0.00 C ATOM 723 O LYS A 216 6.478 -4.944 0.899 1.00 0.00 O ATOM 724 CB LYS A 216 5.413 -6.739 2.799 1.00 0.00 C ATOM 725 CG LYS A 216 6.885 -7.153 2.712 1.00 0.00 C ATOM 726 CD LYS A 216 7.193 -8.191 3.792 1.00 0.00 C ATOM 727 CE LYS A 216 8.710 -8.369 3.910 1.00 0.00 C ATOM 728 NZ LYS A 216 9.144 -8.943 2.602 1.00 0.00 N ATOM 0 H LYS A 216 3.394 -5.563 2.121 1.00 0.00 H new ATOM 0 HA LYS A 216 5.579 -4.939 4.000 1.00 0.00 H new ATOM 0 HB2 LYS A 216 4.931 -7.246 3.635 1.00 0.00 H new ATOM 0 HB3 LYS A 216 4.885 -7.042 1.895 1.00 0.00 H new ATOM 0 HG2 LYS A 216 7.099 -7.565 1.726 1.00 0.00 H new ATOM 0 HG3 LYS A 216 7.526 -6.281 2.839 1.00 0.00 H new ATOM 0 HD2 LYS A 216 6.778 -7.871 4.748 1.00 0.00 H new ATOM 0 HD3 LYS A 216 6.723 -9.142 3.542 1.00 0.00 H new ATOM 0 HE2 LYS A 216 9.203 -7.417 4.104 1.00 0.00 H new ATOM 0 HE3 LYS A 216 8.965 -9.034 4.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 216 10.094 -9.355 2.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 216 8.475 -9.683 2.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 216 9.166 -8.192 1.883 1.00 0.00 H new ATOM 742 N TRP A 217 6.827 -3.398 2.413 1.00 0.00 N ATOM 743 CA TRP A 217 7.743 -2.661 1.495 1.00 0.00 C ATOM 744 C TRP A 217 9.141 -3.284 1.533 1.00 0.00 C ATOM 745 O TRP A 217 9.295 -4.473 1.729 1.00 0.00 O ATOM 746 CB TRP A 217 7.776 -1.228 2.025 1.00 0.00 C ATOM 747 CG TRP A 217 6.385 -0.683 2.088 1.00 0.00 C ATOM 748 CD1 TRP A 217 5.571 -0.754 3.167 1.00 0.00 C ATOM 749 CD2 TRP A 217 5.625 0.008 1.050 1.00 0.00 C ATOM 750 NE1 TRP A 217 4.374 -0.134 2.866 1.00 0.00 N ATOM 751 CE2 TRP A 217 4.353 0.344 1.571 1.00 0.00 C ATOM 752 CE3 TRP A 217 5.915 0.376 -0.278 1.00 0.00 C ATOM 753 CZ2 TRP A 217 3.400 1.017 0.801 1.00 0.00 C ATOM 754 CZ3 TRP A 217 4.958 1.054 -1.054 1.00 0.00 C ATOM 755 CH2 TRP A 217 3.704 1.373 -0.514 1.00 0.00 C ATOM 0 H TRP A 217 6.691 -2.972 3.330 1.00 0.00 H new ATOM 0 HA TRP A 217 7.406 -2.699 0.459 1.00 0.00 H new ATOM 0 HB2 TRP A 217 8.231 -1.206 3.015 1.00 0.00 H new ATOM 0 HB3 TRP A 217 8.392 -0.604 1.378 1.00 0.00 H new ATOM 0 HD1 TRP A 217 5.817 -1.220 4.110 1.00 0.00 H new ATOM 0 HE1 TRP A 217 3.598 -0.041 3.522 1.00 0.00 H new ATOM 0 HE3 TRP A 217 6.878 0.136 -0.703 1.00 0.00 H new ATOM 0 HZ2 TRP A 217 2.435 1.260 1.221 1.00 0.00 H new ATOM 0 HZ3 TRP A 217 5.190 1.331 -2.072 1.00 0.00 H new ATOM 0 HH2 TRP A 217 2.974 1.894 -1.115 1.00 0.00 H new ATOM 871 N ASN A 225 7.064 -3.453 6.851 1.00 0.00 N ATOM 872 CA ASN A 225 5.606 -3.580 6.572 1.00 0.00 C ATOM 873 C ASN A 225 4.834 -2.437 7.227 1.00 0.00 C ATOM 874 O ASN A 225 5.168 -1.975 8.299 1.00 0.00 O ATOM 875 CB ASN A 225 5.200 -4.920 7.186 1.00 0.00 C ATOM 876 CG ASN A 225 5.528 -4.917 8.681 1.00 0.00 C ATOM 877 OD1 ASN A 225 6.525 -4.360 9.095 1.00 0.00 O ATOM 878 ND2 ASN A 225 4.725 -5.521 9.514 1.00 0.00 N ATOM 0 HA ASN A 225 5.388 -3.535 5.505 1.00 0.00 H new ATOM 0 HB2 ASN A 225 4.134 -5.092 7.037 1.00 0.00 H new ATOM 0 HB3 ASN A 225 5.727 -5.734 6.689 1.00 0.00 H new ATOM 0 HD21 ASN A 225 4.935 -5.525 10.512 1.00 0.00 H new ATOM 0 HD22 ASN A 225 3.888 -5.989 9.167 1.00 0.00 H new ATOM 885 N THR A 226 3.797 -1.989 6.583 1.00 0.00 N ATOM 886 CA THR A 226 2.978 -0.886 7.144 1.00 0.00 C ATOM 887 C THR A 226 1.576 -0.967 6.552 1.00 0.00 C ATOM 888 O THR A 226 1.347 -1.643 5.569 1.00 0.00 O ATOM 889 CB THR A 226 3.676 0.403 6.707 1.00 0.00 C ATOM 890 OG1 THR A 226 3.899 0.370 5.305 1.00 0.00 O ATOM 891 CG2 THR A 226 5.013 0.536 7.437 1.00 0.00 C ATOM 0 H THR A 226 3.479 -2.345 5.681 1.00 0.00 H new ATOM 0 HA THR A 226 2.887 -0.934 8.229 1.00 0.00 H new ATOM 0 HB THR A 226 3.045 1.257 6.953 1.00 0.00 H new ATOM 0 HG1 THR A 226 4.695 -0.168 5.113 1.00 0.00 H new ATOM 0 HG21 THR A 226 5.509 1.455 7.124 1.00 0.00 H new ATOM 0 HG22 THR A 226 4.839 0.566 8.513 1.00 0.00 H new ATOM 0 HG23 THR A 226 5.646 -0.318 7.195 1.00 0.00 H new ATOM 899 N TRP A 227 0.631 -0.297 7.137 1.00 0.00 N ATOM 900 CA TRP A 227 -0.750 -0.360 6.594 1.00 0.00 C ATOM 901 C TRP A 227 -1.065 0.898 5.790 1.00 0.00 C ATOM 902 O TRP A 227 -1.361 1.943 6.336 1.00 0.00 O ATOM 903 CB TRP A 227 -1.641 -0.477 7.823 1.00 0.00 C ATOM 904 CG TRP A 227 -1.653 -1.903 8.256 1.00 0.00 C ATOM 905 CD1 TRP A 227 -0.729 -2.480 9.059 1.00 0.00 C ATOM 906 CD2 TRP A 227 -2.601 -2.948 7.901 1.00 0.00 C ATOM 907 NE1 TRP A 227 -1.061 -3.812 9.231 1.00 0.00 N ATOM 908 CE2 TRP A 227 -2.207 -4.147 8.538 1.00 0.00 C ATOM 909 CE3 TRP A 227 -3.757 -2.971 7.099 1.00 0.00 C ATOM 910 CZ2 TRP A 227 -2.932 -5.327 8.384 1.00 0.00 C ATOM 911 CZ3 TRP A 227 -4.488 -4.158 6.942 1.00 0.00 C ATOM 912 CH2 TRP A 227 -4.075 -5.334 7.585 1.00 0.00 C ATOM 0 H TRP A 227 0.752 0.289 7.963 1.00 0.00 H new ATOM 0 HA TRP A 227 -0.896 -1.196 5.910 1.00 0.00 H new ATOM 0 HB2 TRP A 227 -1.268 0.160 8.625 1.00 0.00 H new ATOM 0 HB3 TRP A 227 -2.652 -0.141 7.593 1.00 0.00 H new ATOM 0 HD1 TRP A 227 0.126 -1.983 9.493 1.00 0.00 H new ATOM 0 HE1 TRP A 227 -0.525 -4.467 9.800 1.00 0.00 H new ATOM 0 HE3 TRP A 227 -4.083 -2.070 6.601 1.00 0.00 H new ATOM 0 HZ2 TRP A 227 -2.611 -6.231 8.880 1.00 0.00 H new ATOM 0 HZ3 TRP A 227 -5.373 -4.166 6.323 1.00 0.00 H new ATOM 0 HH2 TRP A 227 -4.642 -6.245 7.461 1.00 0.00 H new ATOM 923 N GLU A 228 -0.998 0.803 4.492 1.00 0.00 N ATOM 924 CA GLU A 228 -1.286 1.988 3.641 1.00 0.00 C ATOM 925 C GLU A 228 -2.665 1.854 2.992 1.00 0.00 C ATOM 926 O GLU A 228 -3.425 0.955 3.295 1.00 0.00 O ATOM 927 CB GLU A 228 -0.188 1.987 2.577 1.00 0.00 C ATOM 928 CG GLU A 228 1.171 2.236 3.239 1.00 0.00 C ATOM 929 CD GLU A 228 1.059 3.401 4.223 1.00 0.00 C ATOM 930 OE1 GLU A 228 1.255 4.529 3.800 1.00 0.00 O ATOM 931 OE2 GLU A 228 0.780 3.146 5.383 1.00 0.00 O ATOM 0 H GLU A 228 -0.755 -0.047 3.983 1.00 0.00 H new ATOM 0 HA GLU A 228 -1.297 2.915 4.215 1.00 0.00 H new ATOM 0 HB2 GLU A 228 -0.178 1.032 2.051 1.00 0.00 H new ATOM 0 HB3 GLU A 228 -0.388 2.758 1.833 1.00 0.00 H new ATOM 0 HG2 GLU A 228 1.503 1.338 3.760 1.00 0.00 H new ATOM 0 HG3 GLU A 228 1.921 2.459 2.480 1.00 0.00 H new ATOM 938 N THR A 229 -2.986 2.741 2.094 1.00 0.00 N ATOM 939 CA THR A 229 -4.303 2.676 1.407 1.00 0.00 C ATOM 940 C THR A 229 -4.107 3.027 -0.065 1.00 0.00 C ATOM 941 O THR A 229 -3.194 3.745 -0.422 1.00 0.00 O ATOM 942 CB THR A 229 -5.170 3.728 2.101 1.00 0.00 C ATOM 943 OG1 THR A 229 -4.369 4.855 2.432 1.00 0.00 O ATOM 944 CG2 THR A 229 -5.772 3.138 3.375 1.00 0.00 C ATOM 0 H THR A 229 -2.387 3.514 1.805 1.00 0.00 H new ATOM 0 HA THR A 229 -4.762 1.689 1.457 1.00 0.00 H new ATOM 0 HB THR A 229 -5.974 4.035 1.432 1.00 0.00 H new ATOM 0 HG1 THR A 229 -4.923 5.531 2.875 1.00 0.00 H new ATOM 0 HG21 THR A 229 -6.389 3.889 3.868 1.00 0.00 H new ATOM 0 HG22 THR A 229 -6.386 2.274 3.121 1.00 0.00 H new ATOM 0 HG23 THR A 229 -4.971 2.829 4.047 1.00 0.00 H new ATOM 952 N TYR A 230 -4.938 2.523 -0.927 1.00 0.00 N ATOM 953 CA TYR A 230 -4.769 2.829 -2.374 1.00 0.00 C ATOM 954 C TYR A 230 -4.481 4.318 -2.578 1.00 0.00 C ATOM 955 O TYR A 230 -3.691 4.698 -3.419 1.00 0.00 O ATOM 956 CB TYR A 230 -6.106 2.458 -3.018 1.00 0.00 C ATOM 957 CG TYR A 230 -6.044 1.061 -3.586 1.00 0.00 C ATOM 958 CD1 TYR A 230 -5.003 0.698 -4.447 1.00 0.00 C ATOM 959 CD2 TYR A 230 -7.038 0.132 -3.258 1.00 0.00 C ATOM 960 CE1 TYR A 230 -4.957 -0.597 -4.979 1.00 0.00 C ATOM 961 CE2 TYR A 230 -6.992 -1.161 -3.790 1.00 0.00 C ATOM 962 CZ TYR A 230 -5.951 -1.525 -4.651 1.00 0.00 C ATOM 963 OH TYR A 230 -5.906 -2.800 -5.178 1.00 0.00 O ATOM 0 H TYR A 230 -5.724 1.915 -0.697 1.00 0.00 H new ATOM 0 HA TYR A 230 -3.934 2.281 -2.810 1.00 0.00 H new ATOM 0 HB2 TYR A 230 -6.904 2.522 -2.278 1.00 0.00 H new ATOM 0 HB3 TYR A 230 -6.346 3.169 -3.808 1.00 0.00 H new ATOM 0 HD1 TYR A 230 -4.236 1.415 -4.701 1.00 0.00 H new ATOM 0 HD2 TYR A 230 -7.841 0.414 -2.593 1.00 0.00 H new ATOM 0 HE1 TYR A 230 -4.153 -0.879 -5.643 1.00 0.00 H new ATOM 0 HE2 TYR A 230 -7.759 -1.878 -3.536 1.00 0.00 H new ATOM 0 HH TYR A 230 -5.576 -2.761 -6.100 1.00 0.00 H new ATOM 973 N GLU A 231 -5.118 5.162 -1.819 1.00 0.00 N ATOM 974 CA GLU A 231 -4.884 6.627 -1.976 1.00 0.00 C ATOM 975 C GLU A 231 -3.434 6.974 -1.627 1.00 0.00 C ATOM 976 O GLU A 231 -2.986 8.084 -1.837 1.00 0.00 O ATOM 977 CB GLU A 231 -5.848 7.294 -0.994 1.00 0.00 C ATOM 978 CG GLU A 231 -5.820 8.810 -1.200 1.00 0.00 C ATOM 979 CD GLU A 231 -7.242 9.321 -1.446 1.00 0.00 C ATOM 980 OE1 GLU A 231 -7.873 8.836 -2.370 1.00 0.00 O ATOM 981 OE2 GLU A 231 -7.674 10.189 -0.706 1.00 0.00 O ATOM 0 H GLU A 231 -5.790 4.904 -1.097 1.00 0.00 H new ATOM 0 HA GLU A 231 -5.052 6.962 -3.000 1.00 0.00 H new ATOM 0 HB2 GLU A 231 -6.858 6.914 -1.146 1.00 0.00 H new ATOM 0 HB3 GLU A 231 -5.566 7.050 0.030 1.00 0.00 H new ATOM 0 HG2 GLU A 231 -5.394 9.298 -0.324 1.00 0.00 H new ATOM 0 HG3 GLU A 231 -5.181 9.060 -2.047 1.00 0.00 H new ATOM 988 N SER A 232 -2.695 6.039 -1.095 1.00 0.00 N ATOM 989 CA SER A 232 -1.275 6.328 -0.738 1.00 0.00 C ATOM 990 C SER A 232 -0.341 5.290 -1.371 1.00 0.00 C ATOM 991 O SER A 232 0.839 5.527 -1.540 1.00 0.00 O ATOM 992 CB SER A 232 -1.223 6.240 0.786 1.00 0.00 C ATOM 993 OG SER A 232 -2.424 6.775 1.327 1.00 0.00 O ATOM 0 H SER A 232 -3.011 5.090 -0.892 1.00 0.00 H new ATOM 0 HA SER A 232 -0.951 7.303 -1.101 1.00 0.00 H new ATOM 0 HB2 SER A 232 -1.100 5.203 1.098 1.00 0.00 H new ATOM 0 HB3 SER A 232 -0.362 6.791 1.165 1.00 0.00 H new ATOM 0 HG SER A 232 -2.987 6.045 1.659 1.00 0.00 H new ATOM 999 N ILE A 233 -0.858 4.143 -1.720 1.00 0.00 N ATOM 1000 CA ILE A 233 0.005 3.094 -2.343 1.00 0.00 C ATOM 1001 C ILE A 233 -0.438 2.860 -3.794 1.00 0.00 C ATOM 1002 O ILE A 233 0.020 1.948 -4.454 1.00 0.00 O ATOM 1003 CB ILE A 233 -0.155 1.816 -1.468 1.00 0.00 C ATOM 1004 CG1 ILE A 233 -0.478 0.591 -2.333 1.00 0.00 C ATOM 1005 CG2 ILE A 233 -1.269 1.982 -0.428 1.00 0.00 C ATOM 1006 CD1 ILE A 233 -0.799 -0.599 -1.426 1.00 0.00 C ATOM 0 H ILE A 233 -1.838 3.886 -1.602 1.00 0.00 H new ATOM 0 HA ILE A 233 1.054 3.388 -2.379 1.00 0.00 H new ATOM 0 HB ILE A 233 0.797 1.667 -0.958 1.00 0.00 H new ATOM 0 HG12 ILE A 233 -1.325 0.805 -2.985 1.00 0.00 H new ATOM 0 HG13 ILE A 233 0.368 0.354 -2.978 1.00 0.00 H new ATOM 0 HG21 ILE A 233 -1.352 1.071 0.165 1.00 0.00 H new ATOM 0 HG22 ILE A 233 -1.033 2.821 0.227 1.00 0.00 H new ATOM 0 HG23 ILE A 233 -2.215 2.173 -0.935 1.00 0.00 H new ATOM 0 HD11 ILE A 233 -1.029 -1.471 -2.038 1.00 0.00 H new ATOM 0 HD12 ILE A 233 0.061 -0.816 -0.793 1.00 0.00 H new ATOM 0 HD13 ILE A 233 -1.658 -0.358 -0.800 1.00 0.00 H new ATOM 1018 N GLY A 234 -1.322 3.679 -4.293 1.00 0.00 N ATOM 1019 CA GLY A 234 -1.789 3.502 -5.695 1.00 0.00 C ATOM 1020 C GLY A 234 -0.948 4.373 -6.631 1.00 0.00 C ATOM 1021 O GLY A 234 -1.471 5.096 -7.455 1.00 0.00 O ATOM 0 H GLY A 234 -1.740 4.462 -3.791 1.00 0.00 H new ATOM 0 HA2 GLY A 234 -1.708 2.455 -5.986 1.00 0.00 H new ATOM 0 HA3 GLY A 234 -2.841 3.775 -5.776 1.00 0.00 H new ATOM 1025 N GLN A 235 0.351 4.312 -6.513 1.00 0.00 N ATOM 1026 CA GLN A 235 1.214 5.141 -7.403 1.00 0.00 C ATOM 1027 C GLN A 235 2.676 4.700 -7.293 1.00 0.00 C ATOM 1028 O GLN A 235 3.586 5.474 -7.518 1.00 0.00 O ATOM 1029 CB GLN A 235 1.046 6.575 -6.894 1.00 0.00 C ATOM 1030 CG GLN A 235 1.130 6.590 -5.366 1.00 0.00 C ATOM 1031 CD GLN A 235 0.950 8.022 -4.857 1.00 0.00 C ATOM 1032 OE1 GLN A 235 0.264 8.251 -3.881 1.00 0.00 O ATOM 1033 NE2 GLN A 235 1.543 9.003 -5.482 1.00 0.00 N ATOM 0 H GLN A 235 0.850 3.727 -5.843 1.00 0.00 H new ATOM 0 HA GLN A 235 0.935 5.044 -8.452 1.00 0.00 H new ATOM 0 HB2 GLN A 235 1.820 7.215 -7.317 1.00 0.00 H new ATOM 0 HB3 GLN A 235 0.087 6.977 -7.220 1.00 0.00 H new ATOM 0 HG2 GLN A 235 0.361 5.943 -4.943 1.00 0.00 H new ATOM 0 HG3 GLN A 235 2.093 6.196 -5.041 1.00 0.00 H new ATOM 0 HE21 GLN A 235 2.119 8.811 -6.302 1.00 0.00 H new ATOM 0 HE22 GLN A 235 1.430 9.961 -5.151 1.00 0.00 H new ATOM 1042 N VAL A 236 2.909 3.464 -6.950 1.00 0.00 N ATOM 1043 CA VAL A 236 4.314 2.973 -6.828 1.00 0.00 C ATOM 1044 C VAL A 236 4.375 1.480 -7.141 1.00 0.00 C ATOM 1045 O VAL A 236 5.044 0.724 -6.466 1.00 0.00 O ATOM 1046 CB VAL A 236 4.697 3.222 -5.371 1.00 0.00 C ATOM 1047 CG1 VAL A 236 4.917 4.717 -5.147 1.00 0.00 C ATOM 1048 CG2 VAL A 236 3.570 2.731 -4.459 1.00 0.00 C ATOM 0 H VAL A 236 2.188 2.771 -6.748 1.00 0.00 H new ATOM 0 HA VAL A 236 4.988 3.477 -7.520 1.00 0.00 H new ATOM 0 HB VAL A 236 5.616 2.683 -5.140 1.00 0.00 H new ATOM 0 HG11 VAL A 236 5.190 4.893 -4.107 1.00 0.00 H new ATOM 0 HG12 VAL A 236 5.718 5.068 -5.797 1.00 0.00 H new ATOM 0 HG13 VAL A 236 3.999 5.258 -5.378 1.00 0.00 H new ATOM 0 HG21 VAL A 236 3.841 2.908 -3.418 1.00 0.00 H new ATOM 0 HG22 VAL A 236 2.652 3.271 -4.692 1.00 0.00 H new ATOM 0 HG23 VAL A 236 3.413 1.664 -4.617 1.00 0.00 H new ATOM 1058 N ARG A 237 3.666 1.047 -8.151 1.00 0.00 N ATOM 1059 CA ARG A 237 3.662 -0.406 -8.506 1.00 0.00 C ATOM 1060 C ARG A 237 2.857 -1.196 -7.465 1.00 0.00 C ATOM 1061 O ARG A 237 2.652 -2.394 -7.592 1.00 0.00 O ATOM 1062 CB ARG A 237 5.133 -0.832 -8.496 1.00 0.00 C ATOM 1063 CG ARG A 237 5.488 -1.468 -9.841 1.00 0.00 C ATOM 1064 CD ARG A 237 6.456 -0.554 -10.596 1.00 0.00 C ATOM 1065 NE ARG A 237 5.590 0.281 -11.474 1.00 0.00 N ATOM 1066 CZ ARG A 237 6.103 0.893 -12.507 1.00 0.00 C ATOM 1067 NH1 ARG A 237 6.602 2.091 -12.373 1.00 0.00 N ATOM 1068 NH2 ARG A 237 6.117 0.308 -13.672 1.00 0.00 N ATOM 0 H ARG A 237 3.087 1.638 -8.748 1.00 0.00 H new ATOM 0 HA ARG A 237 3.201 -0.594 -9.476 1.00 0.00 H new ATOM 0 HB2 ARG A 237 5.772 0.032 -8.310 1.00 0.00 H new ATOM 0 HB3 ARG A 237 5.312 -1.541 -7.688 1.00 0.00 H new ATOM 0 HG2 ARG A 237 5.942 -2.447 -9.684 1.00 0.00 H new ATOM 0 HG3 ARG A 237 4.585 -1.626 -10.431 1.00 0.00 H new ATOM 0 HD2 ARG A 237 7.034 0.064 -9.908 1.00 0.00 H new ATOM 0 HD3 ARG A 237 7.170 -1.133 -11.181 1.00 0.00 H new ATOM 0 HE ARG A 237 4.595 0.375 -11.268 1.00 0.00 H new ATOM 0 HH11 ARG A 237 6.591 2.549 -11.462 1.00 0.00 H new ATOM 0 HH12 ARG A 237 7.003 2.570 -13.180 1.00 0.00 H new ATOM 0 HH21 ARG A 237 5.727 -0.629 -13.777 1.00 0.00 H new ATOM 0 HH22 ARG A 237 6.518 0.787 -14.478 1.00 0.00 H new ATOM 1082 N GLY A 238 2.384 -0.533 -6.442 1.00 0.00 N ATOM 1083 CA GLY A 238 1.589 -1.235 -5.409 1.00 0.00 C ATOM 1084 C GLY A 238 0.317 -1.765 -6.052 1.00 0.00 C ATOM 1085 O GLY A 238 0.020 -2.933 -5.982 1.00 0.00 O ATOM 0 H GLY A 238 2.518 0.466 -6.283 1.00 0.00 H new ATOM 0 HA2 GLY A 238 2.166 -2.054 -4.980 1.00 0.00 H new ATOM 0 HA3 GLY A 238 1.345 -0.555 -4.593 1.00 0.00 H new ATOM 1089 N LEU A 239 -0.434 -0.916 -6.689 1.00 0.00 N ATOM 1090 CA LEU A 239 -1.685 -1.383 -7.340 1.00 0.00 C ATOM 1091 C LEU A 239 -1.432 -2.690 -8.090 1.00 0.00 C ATOM 1092 O LEU A 239 -2.286 -3.547 -8.153 1.00 0.00 O ATOM 1093 CB LEU A 239 -2.068 -0.264 -8.312 1.00 0.00 C ATOM 1094 CG LEU A 239 -2.769 0.859 -7.549 1.00 0.00 C ATOM 1095 CD1 LEU A 239 -2.431 2.203 -8.195 1.00 0.00 C ATOM 1096 CD2 LEU A 239 -4.283 0.639 -7.595 1.00 0.00 C ATOM 0 H LEU A 239 -0.236 0.080 -6.787 1.00 0.00 H new ATOM 0 HA LEU A 239 -2.479 -1.582 -6.620 1.00 0.00 H new ATOM 0 HB2 LEU A 239 -1.177 0.121 -8.809 1.00 0.00 H new ATOM 0 HB3 LEU A 239 -2.724 -0.653 -9.091 1.00 0.00 H new ATOM 0 HG LEU A 239 -2.432 0.859 -6.512 1.00 0.00 H new ATOM 0 HD11 LEU A 239 -2.931 3.004 -7.651 1.00 0.00 H new ATOM 0 HD12 LEU A 239 -1.353 2.361 -8.164 1.00 0.00 H new ATOM 0 HD13 LEU A 239 -2.768 2.203 -9.232 1.00 0.00 H new ATOM 0 HD21 LEU A 239 -4.784 1.440 -7.051 1.00 0.00 H new ATOM 0 HD22 LEU A 239 -4.619 0.639 -8.632 1.00 0.00 H new ATOM 0 HD23 LEU A 239 -4.526 -0.319 -7.135 1.00 0.00 H new ATOM 1108 N LYS A 240 -0.268 -2.860 -8.654 1.00 0.00 N ATOM 1109 CA LYS A 240 0.012 -4.128 -9.384 1.00 0.00 C ATOM 1110 C LYS A 240 0.031 -5.293 -8.399 1.00 0.00 C ATOM 1111 O LYS A 240 -0.755 -6.214 -8.500 1.00 0.00 O ATOM 1112 CB LYS A 240 1.388 -3.944 -10.019 1.00 0.00 C ATOM 1113 CG LYS A 240 1.520 -4.885 -11.219 1.00 0.00 C ATOM 1114 CD LYS A 240 2.341 -6.113 -10.823 1.00 0.00 C ATOM 1115 CE LYS A 240 1.786 -7.350 -11.534 1.00 0.00 C ATOM 1116 NZ LYS A 240 1.632 -6.938 -12.957 1.00 0.00 N ATOM 0 H LYS A 240 0.495 -2.183 -8.642 1.00 0.00 H new ATOM 0 HA LYS A 240 -0.746 -4.346 -10.136 1.00 0.00 H new ATOM 0 HB2 LYS A 240 1.519 -2.910 -10.337 1.00 0.00 H new ATOM 0 HB3 LYS A 240 2.169 -4.155 -9.289 1.00 0.00 H new ATOM 0 HG2 LYS A 240 0.532 -5.192 -11.563 1.00 0.00 H new ATOM 0 HG3 LYS A 240 2.000 -4.367 -12.049 1.00 0.00 H new ATOM 0 HD2 LYS A 240 3.387 -5.966 -11.091 1.00 0.00 H new ATOM 0 HD3 LYS A 240 2.305 -6.255 -9.743 1.00 0.00 H new ATOM 0 HE2 LYS A 240 2.465 -8.198 -11.439 1.00 0.00 H new ATOM 0 HE3 LYS A 240 0.832 -7.657 -11.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 240 1.758 -7.766 -13.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 240 0.683 -6.539 -13.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 240 2.348 -6.221 -13.190 1.00 0.00 H new ATOM 1130 N ARG A 241 0.910 -5.256 -7.435 1.00 0.00 N ATOM 1131 CA ARG A 241 0.947 -6.367 -6.441 1.00 0.00 C ATOM 1132 C ARG A 241 -0.313 -6.298 -5.576 1.00 0.00 C ATOM 1133 O ARG A 241 -0.825 -7.299 -5.112 1.00 0.00 O ATOM 1134 CB ARG A 241 2.201 -6.122 -5.607 1.00 0.00 C ATOM 1135 CG ARG A 241 3.391 -6.846 -6.245 1.00 0.00 C ATOM 1136 CD ARG A 241 4.271 -7.450 -5.149 1.00 0.00 C ATOM 1137 NE ARG A 241 4.793 -8.718 -5.731 1.00 0.00 N ATOM 1138 CZ ARG A 241 5.494 -8.691 -6.832 1.00 0.00 C ATOM 1139 NH1 ARG A 241 6.298 -7.691 -7.072 1.00 0.00 N ATOM 1140 NH2 ARG A 241 5.390 -9.666 -7.693 1.00 0.00 N ATOM 0 H ARG A 241 1.596 -4.515 -7.293 1.00 0.00 H new ATOM 0 HA ARG A 241 0.975 -7.354 -6.903 1.00 0.00 H new ATOM 0 HB2 ARG A 241 2.404 -5.053 -5.543 1.00 0.00 H new ATOM 0 HB3 ARG A 241 2.048 -6.479 -4.589 1.00 0.00 H new ATOM 0 HG2 ARG A 241 3.037 -7.630 -6.914 1.00 0.00 H new ATOM 0 HG3 ARG A 241 3.972 -6.149 -6.849 1.00 0.00 H new ATOM 0 HD2 ARG A 241 5.084 -6.776 -4.878 1.00 0.00 H new ATOM 0 HD3 ARG A 241 3.698 -7.639 -4.241 1.00 0.00 H new ATOM 0 HE ARG A 241 4.603 -9.607 -5.269 1.00 0.00 H new ATOM 0 HH11 ARG A 241 6.379 -6.929 -6.399 1.00 0.00 H new ATOM 0 HH12 ARG A 241 6.845 -7.672 -7.933 1.00 0.00 H new ATOM 0 HH21 ARG A 241 4.762 -10.447 -7.505 1.00 0.00 H new ATOM 0 HH22 ARG A 241 5.937 -9.647 -8.554 1.00 0.00 H new ATOM 1154 N LEU A 242 -0.827 -5.114 -5.388 1.00 0.00 N ATOM 1155 CA LEU A 242 -2.067 -4.942 -4.589 1.00 0.00 C ATOM 1156 C LEU A 242 -3.238 -5.488 -5.394 1.00 0.00 C ATOM 1157 O LEU A 242 -4.153 -6.088 -4.865 1.00 0.00 O ATOM 1158 CB LEU A 242 -2.194 -3.425 -4.409 1.00 0.00 C ATOM 1159 CG LEU A 242 -3.039 -3.100 -3.176 1.00 0.00 C ATOM 1160 CD1 LEU A 242 -4.264 -4.012 -3.136 1.00 0.00 C ATOM 1161 CD2 LEU A 242 -2.204 -3.307 -1.908 1.00 0.00 C ATOM 0 H LEU A 242 -0.434 -4.249 -5.760 1.00 0.00 H new ATOM 0 HA LEU A 242 -2.050 -5.462 -3.631 1.00 0.00 H new ATOM 0 HB2 LEU A 242 -1.204 -2.981 -4.306 1.00 0.00 H new ATOM 0 HB3 LEU A 242 -2.650 -2.985 -5.296 1.00 0.00 H new ATOM 0 HG LEU A 242 -3.364 -2.061 -3.228 1.00 0.00 H new ATOM 0 HD11 LEU A 242 -4.864 -3.778 -2.256 1.00 0.00 H new ATOM 0 HD12 LEU A 242 -4.862 -3.858 -4.034 1.00 0.00 H new ATOM 0 HD13 LEU A 242 -3.942 -5.052 -3.089 1.00 0.00 H new ATOM 0 HD21 LEU A 242 -2.809 -3.075 -1.032 1.00 0.00 H new ATOM 0 HD22 LEU A 242 -1.873 -4.344 -1.856 1.00 0.00 H new ATOM 0 HD23 LEU A 242 -1.335 -2.650 -1.933 1.00 0.00 H new ATOM 1173 N ASP A 243 -3.197 -5.298 -6.684 1.00 0.00 N ATOM 1174 CA ASP A 243 -4.293 -5.823 -7.544 1.00 0.00 C ATOM 1175 C ASP A 243 -4.290 -7.345 -7.459 1.00 0.00 C ATOM 1176 O ASP A 243 -5.314 -7.972 -7.265 1.00 0.00 O ATOM 1177 CB ASP A 243 -3.961 -5.363 -8.964 1.00 0.00 C ATOM 1178 CG ASP A 243 -4.580 -3.985 -9.209 1.00 0.00 C ATOM 1179 OD1 ASP A 243 -4.933 -3.336 -8.238 1.00 0.00 O ATOM 1180 OD2 ASP A 243 -4.689 -3.602 -10.362 1.00 0.00 O ATOM 0 H ASP A 243 -2.454 -4.803 -7.178 1.00 0.00 H new ATOM 0 HA ASP A 243 -5.277 -5.467 -7.240 1.00 0.00 H new ATOM 0 HB2 ASP A 243 -2.880 -5.318 -9.100 1.00 0.00 H new ATOM 0 HB3 ASP A 243 -4.344 -6.080 -9.690 1.00 0.00 H new ATOM 1185 N ASN A 244 -3.137 -7.943 -7.585 1.00 0.00 N ATOM 1186 CA ASN A 244 -3.060 -9.425 -7.492 1.00 0.00 C ATOM 1187 C ASN A 244 -3.409 -9.865 -6.068 1.00 0.00 C ATOM 1188 O ASN A 244 -3.787 -10.995 -5.835 1.00 0.00 O ATOM 1189 CB ASN A 244 -1.608 -9.775 -7.826 1.00 0.00 C ATOM 1190 CG ASN A 244 -1.477 -11.287 -8.009 1.00 0.00 C ATOM 1191 OD1 ASN A 244 -1.044 -11.984 -7.112 1.00 0.00 O ATOM 1192 ND2 ASN A 244 -1.833 -11.827 -9.141 1.00 0.00 N ATOM 0 H ASN A 244 -2.248 -7.470 -7.748 1.00 0.00 H new ATOM 0 HA ASN A 244 -3.755 -9.924 -8.167 1.00 0.00 H new ATOM 0 HB2 ASN A 244 -1.299 -9.260 -8.735 1.00 0.00 H new ATOM 0 HB3 ASN A 244 -0.948 -9.436 -7.027 1.00 0.00 H new ATOM 0 HD21 ASN A 244 -1.748 -12.835 -9.274 1.00 0.00 H new ATOM 0 HD22 ASN A 244 -2.196 -11.242 -9.893 1.00 0.00 H new ATOM 1199 N TYR A 245 -3.304 -8.981 -5.112 1.00 0.00 N ATOM 1200 CA TYR A 245 -3.657 -9.364 -3.723 1.00 0.00 C ATOM 1201 C TYR A 245 -5.173 -9.320 -3.572 1.00 0.00 C ATOM 1202 O TYR A 245 -5.776 -10.176 -2.957 1.00 0.00 O ATOM 1203 CB TYR A 245 -3.003 -8.319 -2.823 1.00 0.00 C ATOM 1204 CG TYR A 245 -3.496 -8.521 -1.412 1.00 0.00 C ATOM 1205 CD1 TYR A 245 -2.857 -9.444 -0.577 1.00 0.00 C ATOM 1206 CD2 TYR A 245 -4.598 -7.798 -0.943 1.00 0.00 C ATOM 1207 CE1 TYR A 245 -3.318 -9.642 0.729 1.00 0.00 C ATOM 1208 CE2 TYR A 245 -5.060 -7.996 0.363 1.00 0.00 C ATOM 1209 CZ TYR A 245 -4.419 -8.919 1.200 1.00 0.00 C ATOM 1210 OH TYR A 245 -4.873 -9.118 2.488 1.00 0.00 O ATOM 0 H TYR A 245 -2.991 -8.018 -5.235 1.00 0.00 H new ATOM 0 HA TYR A 245 -3.318 -10.368 -3.467 1.00 0.00 H new ATOM 0 HB2 TYR A 245 -1.918 -8.413 -2.861 1.00 0.00 H new ATOM 0 HB3 TYR A 245 -3.248 -7.315 -3.169 1.00 0.00 H new ATOM 0 HD1 TYR A 245 -2.008 -10.004 -0.941 1.00 0.00 H new ATOM 0 HD2 TYR A 245 -5.092 -7.087 -1.589 1.00 0.00 H new ATOM 0 HE1 TYR A 245 -2.824 -10.353 1.374 1.00 0.00 H new ATOM 0 HE2 TYR A 245 -5.910 -7.438 0.726 1.00 0.00 H new ATOM 0 HH TYR A 245 -5.810 -8.838 2.552 1.00 0.00 H new ATOM 1220 N CYS A 246 -5.791 -8.325 -4.144 1.00 0.00 N ATOM 1221 CA CYS A 246 -7.267 -8.217 -4.053 1.00 0.00 C ATOM 1222 C CYS A 246 -7.906 -9.387 -4.797 1.00 0.00 C ATOM 1223 O CYS A 246 -8.945 -9.887 -4.419 1.00 0.00 O ATOM 1224 CB CYS A 246 -7.614 -6.892 -4.731 1.00 0.00 C ATOM 1225 SG CYS A 246 -7.415 -5.538 -3.547 1.00 0.00 S ATOM 0 H CYS A 246 -5.333 -7.582 -4.671 1.00 0.00 H new ATOM 0 HA CYS A 246 -7.629 -8.246 -3.025 1.00 0.00 H new ATOM 0 HB2 CYS A 246 -6.968 -6.733 -5.594 1.00 0.00 H new ATOM 0 HB3 CYS A 246 -8.639 -6.918 -5.101 1.00 0.00 H new ATOM 0 HG CYS A 246 -6.916 -4.502 -4.153 1.00 0.00 H new ATOM 1231 N LYS A 247 -7.283 -9.830 -5.854 1.00 0.00 N ATOM 1232 CA LYS A 247 -7.845 -10.974 -6.623 1.00 0.00 C ATOM 1233 C LYS A 247 -7.485 -12.290 -5.929 1.00 0.00 C ATOM 1234 O LYS A 247 -8.157 -13.290 -6.078 1.00 0.00 O ATOM 1235 CB LYS A 247 -7.202 -10.869 -8.017 1.00 0.00 C ATOM 1236 CG LYS A 247 -5.885 -11.651 -8.061 1.00 0.00 C ATOM 1237 CD LYS A 247 -5.255 -11.514 -9.447 1.00 0.00 C ATOM 1238 CE LYS A 247 -5.962 -12.455 -10.425 1.00 0.00 C ATOM 1239 NZ LYS A 247 -5.388 -13.802 -10.147 1.00 0.00 N ATOM 0 H LYS A 247 -6.410 -9.449 -6.218 1.00 0.00 H new ATOM 0 HA LYS A 247 -8.933 -10.950 -6.691 1.00 0.00 H new ATOM 0 HB2 LYS A 247 -7.888 -11.257 -8.770 1.00 0.00 H new ATOM 0 HB3 LYS A 247 -7.019 -9.823 -8.262 1.00 0.00 H new ATOM 0 HG2 LYS A 247 -5.201 -11.275 -7.300 1.00 0.00 H new ATOM 0 HG3 LYS A 247 -6.066 -12.702 -7.835 1.00 0.00 H new ATOM 0 HD2 LYS A 247 -5.336 -10.484 -9.794 1.00 0.00 H new ATOM 0 HD3 LYS A 247 -4.192 -11.752 -9.400 1.00 0.00 H new ATOM 0 HE2 LYS A 247 -7.041 -12.446 -10.271 1.00 0.00 H new ATOM 0 HE3 LYS A 247 -5.785 -12.156 -11.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 247 -4.803 -14.103 -10.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 247 -4.801 -13.759 -9.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 247 -6.159 -14.485 -10.005 1.00 0.00 H new ATOM 1253 N GLN A 248 -6.428 -12.289 -5.165 1.00 0.00 N ATOM 1254 CA GLN A 248 -6.024 -13.530 -4.451 1.00 0.00 C ATOM 1255 C GLN A 248 -6.584 -13.510 -3.030 1.00 0.00 C ATOM 1256 O GLN A 248 -6.513 -14.485 -2.308 1.00 0.00 O ATOM 1257 CB GLN A 248 -4.496 -13.493 -4.421 1.00 0.00 C ATOM 1258 CG GLN A 248 -3.951 -14.922 -4.393 1.00 0.00 C ATOM 1259 CD GLN A 248 -2.423 -14.885 -4.386 1.00 0.00 C ATOM 1260 OE1 GLN A 248 -1.788 -15.657 -3.696 1.00 0.00 O ATOM 1261 NE2 GLN A 248 -1.800 -14.012 -5.130 1.00 0.00 N ATOM 0 H GLN A 248 -5.827 -11.481 -5.005 1.00 0.00 H new ATOM 0 HA GLN A 248 -6.398 -14.431 -4.937 1.00 0.00 H new ATOM 0 HB2 GLN A 248 -4.117 -12.965 -5.296 1.00 0.00 H new ATOM 0 HB3 GLN A 248 -4.152 -12.944 -3.544 1.00 0.00 H new ATOM 0 HG2 GLN A 248 -4.317 -15.445 -3.509 1.00 0.00 H new ATOM 0 HG3 GLN A 248 -4.308 -15.476 -5.261 1.00 0.00 H new ATOM 0 HE21 GLN A 248 -2.333 -13.363 -5.710 1.00 0.00 H new ATOM 0 HE22 GLN A 248 -0.781 -13.978 -5.132 1.00 0.00 H new ATOM 1270 N PHE A 249 -7.134 -12.399 -2.619 1.00 0.00 N ATOM 1271 CA PHE A 249 -7.688 -12.315 -1.240 1.00 0.00 C ATOM 1272 C PHE A 249 -9.057 -11.622 -1.230 1.00 0.00 C ATOM 1273 O PHE A 249 -9.774 -11.684 -0.251 1.00 0.00 O ATOM 1274 CB PHE A 249 -6.670 -11.483 -0.459 1.00 0.00 C ATOM 1275 CG PHE A 249 -5.402 -12.282 -0.264 1.00 0.00 C ATOM 1276 CD1 PHE A 249 -5.283 -13.147 0.830 1.00 0.00 C ATOM 1277 CD2 PHE A 249 -4.345 -12.154 -1.173 1.00 0.00 C ATOM 1278 CE1 PHE A 249 -4.108 -13.887 1.013 1.00 0.00 C ATOM 1279 CE2 PHE A 249 -3.170 -12.893 -0.990 1.00 0.00 C ATOM 1280 CZ PHE A 249 -3.051 -13.759 0.103 1.00 0.00 C ATOM 0 H PHE A 249 -7.223 -11.550 -3.177 1.00 0.00 H new ATOM 0 HA PHE A 249 -7.841 -13.304 -0.809 1.00 0.00 H new ATOM 0 HB2 PHE A 249 -6.451 -10.560 -0.996 1.00 0.00 H new ATOM 0 HB3 PHE A 249 -7.084 -11.198 0.508 1.00 0.00 H new ATOM 0 HD1 PHE A 249 -6.097 -13.244 1.533 1.00 0.00 H new ATOM 0 HD2 PHE A 249 -4.436 -11.485 -2.016 1.00 0.00 H new ATOM 0 HE1 PHE A 249 -4.017 -14.556 1.856 1.00 0.00 H new ATOM 0 HE2 PHE A 249 -2.355 -12.795 -1.692 1.00 0.00 H new ATOM 0 HZ PHE A 249 -2.144 -14.328 0.245 1.00 0.00 H new ATOM 1290 N ILE A 250 -9.436 -10.951 -2.291 1.00 0.00 N ATOM 1291 CA ILE A 250 -10.762 -10.263 -2.275 1.00 0.00 C ATOM 1292 C ILE A 250 -11.595 -10.628 -3.512 1.00 0.00 C ATOM 1293 O ILE A 250 -12.788 -10.400 -3.550 1.00 0.00 O ATOM 1294 CB ILE A 250 -10.427 -8.769 -2.255 1.00 0.00 C ATOM 1295 CG1 ILE A 250 -10.045 -8.358 -0.831 1.00 0.00 C ATOM 1296 CG2 ILE A 250 -11.644 -7.956 -2.694 1.00 0.00 C ATOM 1297 CD1 ILE A 250 -8.677 -7.673 -0.844 1.00 0.00 C ATOM 0 H ILE A 250 -8.896 -10.851 -3.151 1.00 0.00 H new ATOM 0 HA ILE A 250 -11.365 -10.559 -1.416 1.00 0.00 H new ATOM 0 HB ILE A 250 -9.598 -8.579 -2.937 1.00 0.00 H new ATOM 0 HG12 ILE A 250 -10.797 -7.683 -0.422 1.00 0.00 H new ATOM 0 HG13 ILE A 250 -10.018 -9.234 -0.184 1.00 0.00 H new ATOM 0 HG21 ILE A 250 -11.398 -6.894 -2.677 1.00 0.00 H new ATOM 0 HG22 ILE A 250 -11.930 -8.246 -3.705 1.00 0.00 H new ATOM 0 HG23 ILE A 250 -12.474 -8.147 -2.013 1.00 0.00 H new ATOM 0 HD11 ILE A 250 -8.407 -7.381 0.171 1.00 0.00 H new ATOM 0 HD12 ILE A 250 -7.929 -8.362 -1.235 1.00 0.00 H new ATOM 0 HD13 ILE A 250 -8.720 -6.787 -1.477 1.00 0.00 H new ATOM 1309 N ILE A 251 -10.992 -11.190 -4.522 1.00 0.00 N ATOM 1310 CA ILE A 251 -11.779 -11.557 -5.735 1.00 0.00 C ATOM 1311 C ILE A 251 -11.248 -12.865 -6.329 1.00 0.00 C ATOM 1312 O ILE A 251 -10.449 -13.550 -5.725 1.00 0.00 O ATOM 1313 CB ILE A 251 -11.581 -10.398 -6.718 1.00 0.00 C ATOM 1314 CG1 ILE A 251 -11.542 -9.065 -5.960 1.00 0.00 C ATOM 1315 CG2 ILE A 251 -12.743 -10.369 -7.715 1.00 0.00 C ATOM 1316 CD1 ILE A 251 -11.219 -7.932 -6.934 1.00 0.00 C ATOM 0 H ILE A 251 -9.997 -11.410 -4.562 1.00 0.00 H new ATOM 0 HA ILE A 251 -12.834 -11.713 -5.508 1.00 0.00 H new ATOM 0 HB ILE A 251 -10.639 -10.542 -7.247 1.00 0.00 H new ATOM 0 HG12 ILE A 251 -12.502 -8.881 -5.477 1.00 0.00 H new ATOM 0 HG13 ILE A 251 -10.791 -9.105 -5.171 1.00 0.00 H new ATOM 0 HG21 ILE A 251 -12.602 -9.545 -8.414 1.00 0.00 H new ATOM 0 HG22 ILE A 251 -12.774 -11.310 -8.265 1.00 0.00 H new ATOM 0 HG23 ILE A 251 -13.681 -10.232 -7.177 1.00 0.00 H new ATOM 0 HD11 ILE A 251 -11.192 -6.985 -6.395 1.00 0.00 H new ATOM 0 HD12 ILE A 251 -10.249 -8.115 -7.396 1.00 0.00 H new ATOM 0 HD13 ILE A 251 -11.986 -7.887 -7.707 1.00 0.00 H new