USER MOD reduce.3.24.130724 H: found=0, std=0, add=372, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 374 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 230 TYR OH : rot 180:sc= -1.19! USER MOD Set 1.2: A 246 CYS SG : rot 147:sc= -0.521 USER MOD Set 2.1: A 216 LYS NZ :NH3+ -139:sc= -0.289 (180deg=-1.99!) USER MOD Set 2.2: A 225 ASN : amide:sc= -3.33 K(o=-3.6,f=-5!) USER MOD Set 3.1: A 185 HIS : no HD1:sc= -8.71! C(o=-14!,f=-30!) USER MOD Set 3.2: A 245 TYR OH : rot 29:sc= -5.74! USER MOD Single : A 184 ASN : amide:sc= -3.73! C(o=-3.7!,f=-2.8!) USER MOD Single : A 210 ASN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 211 TYR OH : rot 180:sc= 0 USER MOD Single : A 226 THR OG1 : rot -88:sc= -1.84! USER MOD Single : A 229 THR OG1 : rot 180:sc= 0 USER MOD Single : A 232 SER OG : rot -128:sc= 0.808 USER MOD Single : A 235 GLN : amide:sc= -0.657 K(o=-0.66,f=-3.6!) USER MOD Single : A 240 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 244 ASN : amide:sc= -0.16 X(o=-0.16,f=-0.016) USER MOD Single : A 247 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 248 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD ----------------------------------------------------------------- ATOM 105 N ILE A 179 6.125 -1.326 -3.971 1.00 0.00 N ATOM 106 CA ILE A 179 5.500 -2.366 -3.103 1.00 0.00 C ATOM 107 C ILE A 179 6.202 -3.714 -3.294 1.00 0.00 C ATOM 108 O ILE A 179 6.402 -4.168 -4.404 1.00 0.00 O ATOM 109 CB ILE A 179 4.022 -2.415 -3.548 1.00 0.00 C ATOM 110 CG1 ILE A 179 3.134 -2.341 -2.312 1.00 0.00 C ATOM 111 CG2 ILE A 179 3.700 -3.712 -4.310 1.00 0.00 C ATOM 112 CD1 ILE A 179 1.663 -2.452 -2.720 1.00 0.00 C ATOM 0 HA ILE A 179 5.585 -2.137 -2.041 1.00 0.00 H new ATOM 0 HB ILE A 179 3.840 -1.572 -4.215 1.00 0.00 H new ATOM 0 HG12 ILE A 179 3.390 -3.144 -1.621 1.00 0.00 H new ATOM 0 HG13 ILE A 179 3.305 -1.401 -1.787 1.00 0.00 H new ATOM 0 HG21 ILE A 179 2.651 -3.709 -4.606 1.00 0.00 H new ATOM 0 HG22 ILE A 179 4.328 -3.777 -5.199 1.00 0.00 H new ATOM 0 HG23 ILE A 179 3.893 -4.570 -3.666 1.00 0.00 H new ATOM 0 HD11 ILE A 179 1.034 -2.398 -1.831 1.00 0.00 H new ATOM 0 HD12 ILE A 179 1.410 -1.634 -3.394 1.00 0.00 H new ATOM 0 HD13 ILE A 179 1.496 -3.403 -3.226 1.00 0.00 H new ATOM 124 N ASP A 180 6.567 -4.362 -2.223 1.00 0.00 N ATOM 125 CA ASP A 180 7.239 -5.681 -2.354 1.00 0.00 C ATOM 126 C ASP A 180 6.210 -6.798 -2.200 1.00 0.00 C ATOM 127 O ASP A 180 6.191 -7.747 -2.957 1.00 0.00 O ATOM 128 CB ASP A 180 8.261 -5.730 -1.219 1.00 0.00 C ATOM 129 CG ASP A 180 9.444 -6.606 -1.634 1.00 0.00 C ATOM 130 OD1 ASP A 180 9.246 -7.480 -2.463 1.00 0.00 O ATOM 131 OD2 ASP A 180 10.527 -6.391 -1.117 1.00 0.00 O ATOM 0 H ASP A 180 6.429 -4.035 -1.267 1.00 0.00 H new ATOM 0 HA ASP A 180 7.716 -5.810 -3.326 1.00 0.00 H new ATOM 0 HB2 ASP A 180 8.606 -4.723 -0.982 1.00 0.00 H new ATOM 0 HB3 ASP A 180 7.799 -6.129 -0.316 1.00 0.00 H new ATOM 136 N ILE A 181 5.351 -6.689 -1.224 1.00 0.00 N ATOM 137 CA ILE A 181 4.326 -7.748 -1.019 1.00 0.00 C ATOM 138 C ILE A 181 3.163 -7.220 -0.172 1.00 0.00 C ATOM 139 O ILE A 181 3.351 -6.456 0.751 1.00 0.00 O ATOM 140 CB ILE A 181 5.063 -8.846 -0.250 1.00 0.00 C ATOM 141 CG1 ILE A 181 5.953 -9.650 -1.200 1.00 0.00 C ATOM 142 CG2 ILE A 181 4.050 -9.785 0.412 1.00 0.00 C ATOM 143 CD1 ILE A 181 6.434 -10.913 -0.485 1.00 0.00 C ATOM 0 H ILE A 181 5.315 -5.914 -0.562 1.00 0.00 H new ATOM 0 HA ILE A 181 3.903 -8.096 -1.962 1.00 0.00 H new ATOM 0 HB ILE A 181 5.684 -8.380 0.515 1.00 0.00 H new ATOM 0 HG12 ILE A 181 5.399 -9.915 -2.100 1.00 0.00 H new ATOM 0 HG13 ILE A 181 6.806 -9.049 -1.516 1.00 0.00 H new ATOM 0 HG21 ILE A 181 4.580 -10.565 0.958 1.00 0.00 H new ATOM 0 HG22 ILE A 181 3.426 -9.218 1.103 1.00 0.00 H new ATOM 0 HG23 ILE A 181 3.422 -10.241 -0.354 1.00 0.00 H new ATOM 0 HD11 ILE A 181 7.069 -11.491 -1.156 1.00 0.00 H new ATOM 0 HD12 ILE A 181 7.002 -10.635 0.402 1.00 0.00 H new ATOM 0 HD13 ILE A 181 5.574 -11.515 -0.191 1.00 0.00 H new ATOM 155 N VAL A 182 1.968 -7.655 -0.457 1.00 0.00 N ATOM 156 CA VAL A 182 0.802 -7.214 0.355 1.00 0.00 C ATOM 157 C VAL A 182 0.564 -8.252 1.459 1.00 0.00 C ATOM 158 O VAL A 182 -0.040 -9.282 1.240 1.00 0.00 O ATOM 159 CB VAL A 182 -0.376 -7.164 -0.620 1.00 0.00 C ATOM 160 CG1 VAL A 182 -1.539 -6.412 0.028 1.00 0.00 C ATOM 161 CG2 VAL A 182 0.048 -6.435 -1.898 1.00 0.00 C ATOM 0 H VAL A 182 1.749 -8.298 -1.218 1.00 0.00 H new ATOM 0 HA VAL A 182 0.948 -6.245 0.832 1.00 0.00 H new ATOM 0 HB VAL A 182 -0.687 -8.179 -0.866 1.00 0.00 H new ATOM 0 HG11 VAL A 182 -2.380 -6.375 -0.665 1.00 0.00 H new ATOM 0 HG12 VAL A 182 -1.842 -6.927 0.939 1.00 0.00 H new ATOM 0 HG13 VAL A 182 -1.225 -5.397 0.272 1.00 0.00 H new ATOM 0 HG21 VAL A 182 -0.792 -6.400 -2.592 1.00 0.00 H new ATOM 0 HG22 VAL A 182 0.358 -5.420 -1.652 1.00 0.00 H new ATOM 0 HG23 VAL A 182 0.880 -6.966 -2.361 1.00 0.00 H new ATOM 171 N ILE A 183 1.071 -7.998 2.635 1.00 0.00 N ATOM 172 CA ILE A 183 0.921 -8.978 3.753 1.00 0.00 C ATOM 173 C ILE A 183 -0.553 -9.239 4.080 1.00 0.00 C ATOM 174 O ILE A 183 -0.930 -10.340 4.426 1.00 0.00 O ATOM 175 CB ILE A 183 1.627 -8.328 4.945 1.00 0.00 C ATOM 176 CG1 ILE A 183 3.094 -8.065 4.591 1.00 0.00 C ATOM 177 CG2 ILE A 183 1.555 -9.255 6.157 1.00 0.00 C ATOM 178 CD1 ILE A 183 3.838 -9.392 4.420 1.00 0.00 C ATOM 0 H ILE A 183 1.586 -7.150 2.872 1.00 0.00 H new ATOM 0 HA ILE A 183 1.347 -9.947 3.493 1.00 0.00 H new ATOM 0 HB ILE A 183 1.134 -7.385 5.183 1.00 0.00 H new ATOM 0 HG12 ILE A 183 3.156 -7.483 3.672 1.00 0.00 H new ATOM 0 HG13 ILE A 183 3.565 -7.473 5.375 1.00 0.00 H new ATOM 0 HG21 ILE A 183 2.059 -8.788 7.003 1.00 0.00 H new ATOM 0 HG22 ILE A 183 0.512 -9.439 6.413 1.00 0.00 H new ATOM 0 HG23 ILE A 183 2.043 -10.201 5.921 1.00 0.00 H new ATOM 0 HD11 ILE A 183 4.880 -9.195 4.168 1.00 0.00 H new ATOM 0 HD12 ILE A 183 3.790 -9.959 5.350 1.00 0.00 H new ATOM 0 HD13 ILE A 183 3.374 -9.969 3.620 1.00 0.00 H new ATOM 190 N ASN A 184 -1.390 -8.244 3.985 1.00 0.00 N ATOM 191 CA ASN A 184 -2.831 -8.463 4.305 1.00 0.00 C ATOM 192 C ASN A 184 -3.630 -7.178 4.082 1.00 0.00 C ATOM 193 O ASN A 184 -3.140 -6.225 3.509 1.00 0.00 O ATOM 194 CB ASN A 184 -2.848 -8.854 5.784 1.00 0.00 C ATOM 195 CG ASN A 184 -3.051 -10.365 5.910 1.00 0.00 C ATOM 196 OD1 ASN A 184 -4.088 -10.883 5.545 1.00 0.00 O ATOM 197 ND2 ASN A 184 -2.098 -11.099 6.414 1.00 0.00 N ATOM 0 H ASN A 184 -1.143 -7.296 3.702 1.00 0.00 H new ATOM 0 HA ASN A 184 -3.282 -9.227 3.672 1.00 0.00 H new ATOM 0 HB2 ASN A 184 -1.912 -8.561 6.259 1.00 0.00 H new ATOM 0 HB3 ASN A 184 -3.648 -8.324 6.302 1.00 0.00 H new ATOM 0 HD21 ASN A 184 -2.223 -12.107 6.502 1.00 0.00 H new ATOM 0 HD22 ASN A 184 -1.228 -10.665 6.720 1.00 0.00 H new ATOM 204 N HIS A 185 -4.858 -7.140 4.529 1.00 0.00 N ATOM 205 CA HIS A 185 -5.676 -5.910 4.337 1.00 0.00 C ATOM 206 C HIS A 185 -6.933 -5.950 5.219 1.00 0.00 C ATOM 207 O HIS A 185 -7.216 -6.937 5.869 1.00 0.00 O ATOM 208 CB HIS A 185 -6.052 -5.919 2.848 1.00 0.00 C ATOM 209 CG HIS A 185 -7.254 -6.798 2.621 1.00 0.00 C ATOM 210 ND1 HIS A 185 -7.150 -8.165 2.419 1.00 0.00 N ATOM 211 CD2 HIS A 185 -8.596 -6.514 2.562 1.00 0.00 C ATOM 212 CE1 HIS A 185 -8.394 -8.648 2.250 1.00 0.00 C ATOM 213 NE2 HIS A 185 -9.314 -7.684 2.328 1.00 0.00 N ATOM 0 H HIS A 185 -5.326 -7.904 5.016 1.00 0.00 H new ATOM 0 HA HIS A 185 -5.135 -5.007 4.618 1.00 0.00 H new ATOM 0 HB2 HIS A 185 -6.266 -4.904 2.513 1.00 0.00 H new ATOM 0 HB3 HIS A 185 -5.211 -6.280 2.255 1.00 0.00 H new ATOM 0 HD2 HIS A 185 -9.029 -5.532 2.679 1.00 0.00 H new ATOM 0 HE1 HIS A 185 -8.621 -9.689 2.073 1.00 0.00 H new ATOM 0 HE2 HIS A 185 -10.325 -7.783 2.236 1.00 0.00 H new ATOM 221 N ARG A 186 -7.691 -4.884 5.234 1.00 0.00 N ATOM 222 CA ARG A 186 -8.938 -4.854 6.059 1.00 0.00 C ATOM 223 C ARG A 186 -9.534 -3.444 6.061 1.00 0.00 C ATOM 224 O ARG A 186 -8.873 -2.480 5.728 1.00 0.00 O ATOM 225 CB ARG A 186 -8.508 -5.255 7.472 1.00 0.00 C ATOM 226 CG ARG A 186 -7.203 -4.548 7.835 1.00 0.00 C ATOM 227 CD ARG A 186 -7.348 -3.880 9.205 1.00 0.00 C ATOM 228 NE ARG A 186 -5.959 -3.782 9.732 1.00 0.00 N ATOM 229 CZ ARG A 186 -5.741 -3.876 11.014 1.00 0.00 C ATOM 230 NH1 ARG A 186 -5.686 -5.051 11.581 1.00 0.00 N ATOM 231 NH2 ARG A 186 -5.579 -2.798 11.731 1.00 0.00 N ATOM 0 H ARG A 186 -7.500 -4.030 4.709 1.00 0.00 H new ATOM 0 HA ARG A 186 -9.701 -5.526 5.667 1.00 0.00 H new ATOM 0 HB2 ARG A 186 -9.287 -4.991 8.188 1.00 0.00 H new ATOM 0 HB3 ARG A 186 -8.375 -6.335 7.529 1.00 0.00 H new ATOM 0 HG2 ARG A 186 -6.382 -5.264 7.853 1.00 0.00 H new ATOM 0 HG3 ARG A 186 -6.959 -3.802 7.079 1.00 0.00 H new ATOM 0 HD2 ARG A 186 -7.808 -2.896 9.118 1.00 0.00 H new ATOM 0 HD3 ARG A 186 -7.981 -4.470 9.867 1.00 0.00 H new ATOM 0 HE ARG A 186 -5.179 -3.641 9.091 1.00 0.00 H new ATOM 0 HH11 ARG A 186 -5.814 -5.894 11.021 1.00 0.00 H new ATOM 0 HH12 ARG A 186 -5.515 -5.126 12.584 1.00 0.00 H new ATOM 0 HH21 ARG A 186 -5.623 -1.880 11.289 1.00 0.00 H new ATOM 0 HH22 ARG A 186 -5.409 -2.873 12.734 1.00 0.00 H new ATOM 612 N ASN A 210 -13.331 1.447 0.447 1.00 0.00 N ATOM 613 CA ASN A 210 -13.207 1.513 1.933 1.00 0.00 C ATOM 614 C ASN A 210 -12.391 0.330 2.461 1.00 0.00 C ATOM 615 O ASN A 210 -12.914 -0.552 3.112 1.00 0.00 O ATOM 616 CB ASN A 210 -14.643 1.434 2.447 1.00 0.00 C ATOM 617 CG ASN A 210 -15.250 2.838 2.480 1.00 0.00 C ATOM 618 OD1 ASN A 210 -14.739 3.717 3.144 1.00 0.00 O ATOM 619 ND2 ASN A 210 -16.328 3.087 1.789 1.00 0.00 N ATOM 0 HA ASN A 210 -12.696 2.418 2.260 1.00 0.00 H new ATOM 0 HB2 ASN A 210 -15.236 0.785 1.803 1.00 0.00 H new ATOM 0 HB3 ASN A 210 -14.660 0.995 3.445 1.00 0.00 H new ATOM 0 HD21 ASN A 210 -16.741 4.019 1.807 1.00 0.00 H new ATOM 0 HD22 ASN A 210 -16.758 2.349 1.231 1.00 0.00 H new ATOM 626 N TYR A 211 -11.117 0.300 2.185 1.00 0.00 N ATOM 627 CA TYR A 211 -10.282 -0.835 2.677 1.00 0.00 C ATOM 628 C TYR A 211 -8.794 -0.474 2.667 1.00 0.00 C ATOM 629 O TYR A 211 -8.303 0.163 1.757 1.00 0.00 O ATOM 630 CB TYR A 211 -10.546 -1.960 1.687 1.00 0.00 C ATOM 631 CG TYR A 211 -11.395 -3.029 2.333 1.00 0.00 C ATOM 632 CD1 TYR A 211 -10.803 -3.974 3.176 1.00 0.00 C ATOM 633 CD2 TYR A 211 -12.772 -3.078 2.082 1.00 0.00 C ATOM 634 CE1 TYR A 211 -11.586 -4.969 3.771 1.00 0.00 C ATOM 635 CE2 TYR A 211 -13.556 -4.072 2.677 1.00 0.00 C ATOM 636 CZ TYR A 211 -12.963 -5.019 3.522 1.00 0.00 C ATOM 637 OH TYR A 211 -13.735 -6.001 4.108 1.00 0.00 O ATOM 0 H TYR A 211 -10.619 1.007 1.644 1.00 0.00 H new ATOM 0 HA TYR A 211 -10.531 -1.102 3.704 1.00 0.00 H new ATOM 0 HB2 TYR A 211 -11.051 -1.567 0.804 1.00 0.00 H new ATOM 0 HB3 TYR A 211 -9.602 -2.388 1.350 1.00 0.00 H new ATOM 0 HD1 TYR A 211 -9.741 -3.936 3.368 1.00 0.00 H new ATOM 0 HD2 TYR A 211 -13.228 -2.349 1.429 1.00 0.00 H new ATOM 0 HE1 TYR A 211 -11.128 -5.699 4.423 1.00 0.00 H new ATOM 0 HE2 TYR A 211 -14.618 -4.109 2.485 1.00 0.00 H new ATOM 0 HH TYR A 211 -14.669 -5.892 3.831 1.00 0.00 H new ATOM 647 N GLU A 212 -8.069 -0.904 3.665 1.00 0.00 N ATOM 648 CA GLU A 212 -6.606 -0.619 3.711 1.00 0.00 C ATOM 649 C GLU A 212 -5.843 -1.878 3.301 1.00 0.00 C ATOM 650 O GLU A 212 -6.434 -2.891 2.990 1.00 0.00 O ATOM 651 CB GLU A 212 -6.313 -0.272 5.171 1.00 0.00 C ATOM 652 CG GLU A 212 -5.948 1.207 5.285 1.00 0.00 C ATOM 653 CD GLU A 212 -5.724 1.566 6.756 1.00 0.00 C ATOM 654 OE1 GLU A 212 -5.323 0.690 7.504 1.00 0.00 O ATOM 655 OE2 GLU A 212 -5.957 2.710 7.107 1.00 0.00 O ATOM 0 H GLU A 212 -8.429 -1.442 4.453 1.00 0.00 H new ATOM 0 HA GLU A 212 -6.309 0.187 3.040 1.00 0.00 H new ATOM 0 HB2 GLU A 212 -7.184 -0.490 5.789 1.00 0.00 H new ATOM 0 HB3 GLU A 212 -5.495 -0.888 5.544 1.00 0.00 H new ATOM 0 HG2 GLU A 212 -5.047 1.416 4.708 1.00 0.00 H new ATOM 0 HG3 GLU A 212 -6.745 1.822 4.867 1.00 0.00 H new ATOM 662 N PHE A 213 -4.542 -1.829 3.298 1.00 0.00 N ATOM 663 CA PHE A 213 -3.764 -3.038 2.903 1.00 0.00 C ATOM 664 C PHE A 213 -2.391 -3.039 3.570 1.00 0.00 C ATOM 665 O PHE A 213 -1.653 -2.078 3.479 1.00 0.00 O ATOM 666 CB PHE A 213 -3.578 -2.916 1.391 1.00 0.00 C ATOM 667 CG PHE A 213 -4.888 -3.122 0.675 1.00 0.00 C ATOM 668 CD1 PHE A 213 -5.729 -2.032 0.430 1.00 0.00 C ATOM 669 CD2 PHE A 213 -5.251 -4.401 0.239 1.00 0.00 C ATOM 670 CE1 PHE A 213 -6.937 -2.220 -0.250 1.00 0.00 C ATOM 671 CE2 PHE A 213 -6.457 -4.589 -0.444 1.00 0.00 C ATOM 672 CZ PHE A 213 -7.299 -3.499 -0.688 1.00 0.00 C ATOM 0 H PHE A 213 -3.985 -1.012 3.549 1.00 0.00 H new ATOM 0 HA PHE A 213 -4.277 -3.953 3.199 1.00 0.00 H new ATOM 0 HB2 PHE A 213 -3.175 -1.933 1.147 1.00 0.00 H new ATOM 0 HB3 PHE A 213 -2.851 -3.652 1.048 1.00 0.00 H new ATOM 0 HD1 PHE A 213 -5.446 -1.045 0.766 1.00 0.00 H new ATOM 0 HD2 PHE A 213 -4.601 -5.242 0.430 1.00 0.00 H new ATOM 0 HE1 PHE A 213 -7.589 -1.380 -0.437 1.00 0.00 H new ATOM 0 HE2 PHE A 213 -6.738 -5.575 -0.783 1.00 0.00 H new ATOM 0 HZ PHE A 213 -8.230 -3.645 -1.215 1.00 0.00 H new ATOM 682 N LEU A 214 -2.015 -4.115 4.205 1.00 0.00 N ATOM 683 CA LEU A 214 -0.659 -4.146 4.817 1.00 0.00 C ATOM 684 C LEU A 214 0.349 -4.279 3.690 1.00 0.00 C ATOM 685 O LEU A 214 0.376 -5.265 2.981 1.00 0.00 O ATOM 686 CB LEU A 214 -0.625 -5.377 5.721 1.00 0.00 C ATOM 687 CG LEU A 214 0.599 -5.337 6.652 1.00 0.00 C ATOM 688 CD1 LEU A 214 0.900 -3.910 7.116 1.00 0.00 C ATOM 689 CD2 LEU A 214 0.319 -6.217 7.869 1.00 0.00 C ATOM 0 H LEU A 214 -2.576 -4.958 4.325 1.00 0.00 H new ATOM 0 HA LEU A 214 -0.428 -3.250 5.394 1.00 0.00 H new ATOM 0 HB2 LEU A 214 -1.538 -5.423 6.315 1.00 0.00 H new ATOM 0 HB3 LEU A 214 -0.595 -6.280 5.112 1.00 0.00 H new ATOM 0 HG LEU A 214 1.467 -5.703 6.103 1.00 0.00 H new ATOM 0 HD11 LEU A 214 1.770 -3.917 7.772 1.00 0.00 H new ATOM 0 HD12 LEU A 214 1.104 -3.281 6.249 1.00 0.00 H new ATOM 0 HD13 LEU A 214 0.041 -3.515 7.657 1.00 0.00 H new ATOM 0 HD21 LEU A 214 1.180 -6.198 8.538 1.00 0.00 H new ATOM 0 HD22 LEU A 214 -0.558 -5.841 8.396 1.00 0.00 H new ATOM 0 HD23 LEU A 214 0.136 -7.241 7.543 1.00 0.00 H new ATOM 701 N ILE A 215 1.141 -3.280 3.483 1.00 0.00 N ATOM 702 CA ILE A 215 2.102 -3.338 2.360 1.00 0.00 C ATOM 703 C ILE A 215 3.522 -3.673 2.818 1.00 0.00 C ATOM 704 O ILE A 215 4.206 -2.855 3.401 1.00 0.00 O ATOM 705 CB ILE A 215 2.069 -1.936 1.773 1.00 0.00 C ATOM 706 CG1 ILE A 215 0.618 -1.474 1.597 1.00 0.00 C ATOM 707 CG2 ILE A 215 2.772 -1.950 0.426 1.00 0.00 C ATOM 708 CD1 ILE A 215 -0.123 -2.432 0.669 1.00 0.00 C ATOM 0 H ILE A 215 1.167 -2.426 4.040 1.00 0.00 H new ATOM 0 HA ILE A 215 1.831 -4.120 1.651 1.00 0.00 H new ATOM 0 HB ILE A 215 2.576 -1.245 2.447 1.00 0.00 H new ATOM 0 HG12 ILE A 215 0.120 -1.434 2.566 1.00 0.00 H new ATOM 0 HG13 ILE A 215 0.596 -0.465 1.185 1.00 0.00 H new ATOM 0 HG21 ILE A 215 2.754 -0.949 -0.004 1.00 0.00 H new ATOM 0 HG22 ILE A 215 3.806 -2.270 0.558 1.00 0.00 H new ATOM 0 HG23 ILE A 215 2.261 -2.642 -0.244 1.00 0.00 H new ATOM 0 HD11 ILE A 215 -1.153 -2.098 0.548 1.00 0.00 H new ATOM 0 HD12 ILE A 215 0.369 -2.450 -0.304 1.00 0.00 H new ATOM 0 HD13 ILE A 215 -0.115 -3.434 1.098 1.00 0.00 H new ATOM 720 N LYS A 216 3.987 -4.858 2.520 1.00 0.00 N ATOM 721 CA LYS A 216 5.385 -5.216 2.894 1.00 0.00 C ATOM 722 C LYS A 216 6.341 -4.455 1.968 1.00 0.00 C ATOM 723 O LYS A 216 6.625 -4.883 0.864 1.00 0.00 O ATOM 724 CB LYS A 216 5.512 -6.727 2.665 1.00 0.00 C ATOM 725 CG LYS A 216 6.979 -7.140 2.790 1.00 0.00 C ATOM 726 CD LYS A 216 7.113 -8.642 2.523 1.00 0.00 C ATOM 727 CE LYS A 216 7.609 -9.343 3.789 1.00 0.00 C ATOM 728 NZ LYS A 216 8.887 -8.660 4.132 1.00 0.00 N ATOM 0 H LYS A 216 3.463 -5.588 2.037 1.00 0.00 H new ATOM 0 HA LYS A 216 5.623 -4.960 3.926 1.00 0.00 H new ATOM 0 HB2 LYS A 216 4.908 -7.268 3.393 1.00 0.00 H new ATOM 0 HB3 LYS A 216 5.132 -6.989 1.678 1.00 0.00 H new ATOM 0 HG2 LYS A 216 7.587 -6.578 2.081 1.00 0.00 H new ATOM 0 HG3 LYS A 216 7.351 -6.903 3.787 1.00 0.00 H new ATOM 0 HD2 LYS A 216 6.151 -9.055 2.219 1.00 0.00 H new ATOM 0 HD3 LYS A 216 7.809 -8.816 1.702 1.00 0.00 H new ATOM 0 HE2 LYS A 216 6.885 -9.255 4.599 1.00 0.00 H new ATOM 0 HE3 LYS A 216 7.765 -10.408 3.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 216 9.586 -9.366 4.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 216 9.247 -8.157 3.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 216 8.721 -7.979 4.901 1.00 0.00 H new ATOM 742 N TRP A 217 6.820 -3.317 2.390 1.00 0.00 N ATOM 743 CA TRP A 217 7.737 -2.531 1.513 1.00 0.00 C ATOM 744 C TRP A 217 9.158 -3.094 1.585 1.00 0.00 C ATOM 745 O TRP A 217 9.368 -4.245 1.910 1.00 0.00 O ATOM 746 CB TRP A 217 7.705 -1.108 2.071 1.00 0.00 C ATOM 747 CG TRP A 217 6.305 -0.579 2.055 1.00 0.00 C ATOM 748 CD1 TRP A 217 5.451 -0.624 3.102 1.00 0.00 C ATOM 749 CD2 TRP A 217 5.582 0.072 0.966 1.00 0.00 C ATOM 750 NE1 TRP A 217 4.263 -0.022 2.736 1.00 0.00 N ATOM 751 CE2 TRP A 217 4.288 0.414 1.427 1.00 0.00 C ATOM 752 CE3 TRP A 217 5.919 0.402 -0.360 1.00 0.00 C ATOM 753 CZ2 TRP A 217 3.361 1.057 0.603 1.00 0.00 C ATOM 754 CZ3 TRP A 217 4.987 1.046 -1.193 1.00 0.00 C ATOM 755 CH2 TRP A 217 3.712 1.372 -0.711 1.00 0.00 C ATOM 0 H TRP A 217 6.619 -2.898 3.298 1.00 0.00 H new ATOM 0 HA TRP A 217 7.430 -2.569 0.468 1.00 0.00 H new ATOM 0 HB2 TRP A 217 8.093 -1.100 3.090 1.00 0.00 H new ATOM 0 HB3 TRP A 217 8.353 -0.462 1.478 1.00 0.00 H new ATOM 0 HD1 TRP A 217 5.663 -1.060 4.067 1.00 0.00 H new ATOM 0 HE1 TRP A 217 3.463 0.087 3.359 1.00 0.00 H new ATOM 0 HE3 TRP A 217 6.900 0.159 -0.740 1.00 0.00 H new ATOM 0 HZ2 TRP A 217 2.381 1.308 0.980 1.00 0.00 H new ATOM 0 HZ3 TRP A 217 5.255 1.291 -2.210 1.00 0.00 H new ATOM 0 HH2 TRP A 217 3.001 1.867 -1.356 1.00 0.00 H new ATOM 871 N ASN A 225 6.990 -3.403 6.829 1.00 0.00 N ATOM 872 CA ASN A 225 5.554 -3.531 6.448 1.00 0.00 C ATOM 873 C ASN A 225 4.734 -2.413 7.089 1.00 0.00 C ATOM 874 O ASN A 225 5.041 -1.933 8.162 1.00 0.00 O ATOM 875 CB ASN A 225 5.117 -4.892 6.992 1.00 0.00 C ATOM 876 CG ASN A 225 5.975 -5.993 6.364 1.00 0.00 C ATOM 877 OD1 ASN A 225 6.992 -5.716 5.759 1.00 0.00 O ATOM 878 ND2 ASN A 225 5.605 -7.239 6.481 1.00 0.00 N ATOM 0 HA ASN A 225 5.407 -3.456 5.371 1.00 0.00 H new ATOM 0 HB2 ASN A 225 5.219 -4.911 8.077 1.00 0.00 H new ATOM 0 HB3 ASN A 225 4.064 -5.064 6.768 1.00 0.00 H new ATOM 0 HD21 ASN A 225 6.169 -7.980 6.065 1.00 0.00 H new ATOM 0 HD22 ASN A 225 4.752 -7.472 6.989 1.00 0.00 H new ATOM 885 N THR A 226 3.688 -2.000 6.434 1.00 0.00 N ATOM 886 CA THR A 226 2.832 -0.920 6.987 1.00 0.00 C ATOM 887 C THR A 226 1.431 -1.042 6.397 1.00 0.00 C ATOM 888 O THR A 226 1.209 -1.779 5.457 1.00 0.00 O ATOM 889 CB THR A 226 3.495 0.387 6.546 1.00 0.00 C ATOM 890 OG1 THR A 226 4.015 0.232 5.230 1.00 0.00 O ATOM 891 CG2 THR A 226 4.627 0.738 7.514 1.00 0.00 C ATOM 0 H THR A 226 3.388 -2.368 5.531 1.00 0.00 H new ATOM 0 HA THR A 226 2.738 -0.968 8.072 1.00 0.00 H new ATOM 0 HB THR A 226 2.759 1.191 6.550 1.00 0.00 H new ATOM 0 HG1 THR A 226 4.928 -0.120 5.278 1.00 0.00 H new ATOM 0 HG21 THR A 226 5.099 1.669 7.200 1.00 0.00 H new ATOM 0 HG22 THR A 226 4.222 0.858 8.519 1.00 0.00 H new ATOM 0 HG23 THR A 226 5.367 -0.062 7.514 1.00 0.00 H new ATOM 899 N TRP A 227 0.482 -0.339 6.934 1.00 0.00 N ATOM 900 CA TRP A 227 -0.896 -0.439 6.388 1.00 0.00 C ATOM 901 C TRP A 227 -1.229 0.800 5.558 1.00 0.00 C ATOM 902 O TRP A 227 -1.681 1.805 6.069 1.00 0.00 O ATOM 903 CB TRP A 227 -1.790 -0.554 7.619 1.00 0.00 C ATOM 904 CG TRP A 227 -1.755 -1.971 8.086 1.00 0.00 C ATOM 905 CD1 TRP A 227 -0.810 -2.504 8.896 1.00 0.00 C ATOM 906 CD2 TRP A 227 -2.672 -3.051 7.763 1.00 0.00 C ATOM 907 NE1 TRP A 227 -1.096 -3.843 9.092 1.00 0.00 N ATOM 908 CE2 TRP A 227 -2.236 -4.225 8.416 1.00 0.00 C ATOM 909 CE3 TRP A 227 -3.834 -3.121 6.975 1.00 0.00 C ATOM 910 CZ2 TRP A 227 -2.926 -5.428 8.289 1.00 0.00 C ATOM 911 CZ3 TRP A 227 -4.530 -4.333 6.846 1.00 0.00 C ATOM 912 CH2 TRP A 227 -4.073 -5.484 7.503 1.00 0.00 C ATOM 0 H TRP A 227 0.597 0.298 7.723 1.00 0.00 H new ATOM 0 HA TRP A 227 -1.027 -1.290 5.719 1.00 0.00 H new ATOM 0 HB2 TRP A 227 -1.442 0.115 8.406 1.00 0.00 H new ATOM 0 HB3 TRP A 227 -2.811 -0.258 7.377 1.00 0.00 H new ATOM 0 HD1 TRP A 227 0.029 -1.971 9.319 1.00 0.00 H new ATOM 0 HE1 TRP A 227 -0.533 -4.471 9.666 1.00 0.00 H new ATOM 0 HE3 TRP A 227 -4.193 -2.238 6.467 1.00 0.00 H new ATOM 0 HZ2 TRP A 227 -2.573 -6.313 8.798 1.00 0.00 H new ATOM 0 HZ3 TRP A 227 -5.421 -4.379 6.238 1.00 0.00 H new ATOM 0 HH2 TRP A 227 -4.611 -6.415 7.399 1.00 0.00 H new ATOM 923 N GLU A 228 -0.994 0.732 4.277 1.00 0.00 N ATOM 924 CA GLU A 228 -1.278 1.899 3.398 1.00 0.00 C ATOM 925 C GLU A 228 -2.655 1.762 2.745 1.00 0.00 C ATOM 926 O GLU A 228 -3.402 0.844 3.024 1.00 0.00 O ATOM 927 CB GLU A 228 -0.177 1.867 2.338 1.00 0.00 C ATOM 928 CG GLU A 228 1.181 1.674 3.018 1.00 0.00 C ATOM 929 CD GLU A 228 2.068 2.890 2.741 1.00 0.00 C ATOM 930 OE1 GLU A 228 1.541 3.895 2.295 1.00 0.00 O ATOM 931 OE2 GLU A 228 3.261 2.794 2.981 1.00 0.00 O ATOM 0 H GLU A 228 -0.616 -0.086 3.800 1.00 0.00 H new ATOM 0 HA GLU A 228 -1.290 2.837 3.953 1.00 0.00 H new ATOM 0 HB2 GLU A 228 -0.361 1.057 1.632 1.00 0.00 H new ATOM 0 HB3 GLU A 228 -0.181 2.795 1.766 1.00 0.00 H new ATOM 0 HG2 GLU A 228 1.047 1.546 4.092 1.00 0.00 H new ATOM 0 HG3 GLU A 228 1.660 0.769 2.646 1.00 0.00 H new ATOM 938 N THR A 229 -2.986 2.668 1.869 1.00 0.00 N ATOM 939 CA THR A 229 -4.302 2.610 1.178 1.00 0.00 C ATOM 940 C THR A 229 -4.105 3.004 -0.284 1.00 0.00 C ATOM 941 O THR A 229 -3.172 3.705 -0.620 1.00 0.00 O ATOM 942 CB THR A 229 -5.173 3.642 1.892 1.00 0.00 C ATOM 943 OG1 THR A 229 -4.404 4.805 2.160 1.00 0.00 O ATOM 944 CG2 THR A 229 -5.682 3.055 3.204 1.00 0.00 C ATOM 0 H THR A 229 -2.394 3.454 1.600 1.00 0.00 H new ATOM 0 HA THR A 229 -4.754 1.619 1.204 1.00 0.00 H new ATOM 0 HB THR A 229 -6.020 3.905 1.258 1.00 0.00 H new ATOM 0 HG1 THR A 229 -4.962 5.468 2.617 1.00 0.00 H new ATOM 0 HG21 THR A 229 -6.304 3.790 3.715 1.00 0.00 H new ATOM 0 HG22 THR A 229 -6.271 2.162 2.998 1.00 0.00 H new ATOM 0 HG23 THR A 229 -4.835 2.793 3.838 1.00 0.00 H new ATOM 952 N TYR A 230 -4.960 2.564 -1.156 1.00 0.00 N ATOM 953 CA TYR A 230 -4.786 2.924 -2.589 1.00 0.00 C ATOM 954 C TYR A 230 -4.464 4.415 -2.724 1.00 0.00 C ATOM 955 O TYR A 230 -3.688 4.820 -3.567 1.00 0.00 O ATOM 956 CB TYR A 230 -6.131 2.615 -3.250 1.00 0.00 C ATOM 957 CG TYR A 230 -6.176 1.167 -3.666 1.00 0.00 C ATOM 958 CD1 TYR A 230 -5.479 0.208 -2.927 1.00 0.00 C ATOM 959 CD2 TYR A 230 -6.919 0.785 -4.789 1.00 0.00 C ATOM 960 CE1 TYR A 230 -5.525 -1.136 -3.309 1.00 0.00 C ATOM 961 CE2 TYR A 230 -6.964 -0.559 -5.173 1.00 0.00 C ATOM 962 CZ TYR A 230 -6.267 -1.521 -4.433 1.00 0.00 C ATOM 963 OH TYR A 230 -6.312 -2.847 -4.809 1.00 0.00 O ATOM 0 H TYR A 230 -5.766 1.976 -0.944 1.00 0.00 H new ATOM 0 HA TYR A 230 -3.967 2.372 -3.051 1.00 0.00 H new ATOM 0 HB2 TYR A 230 -6.945 2.829 -2.557 1.00 0.00 H new ATOM 0 HB3 TYR A 230 -6.275 3.257 -4.119 1.00 0.00 H new ATOM 0 HD1 TYR A 230 -4.905 0.505 -2.061 1.00 0.00 H new ATOM 0 HD2 TYR A 230 -7.457 1.528 -5.359 1.00 0.00 H new ATOM 0 HE1 TYR A 230 -4.988 -1.878 -2.737 1.00 0.00 H new ATOM 0 HE2 TYR A 230 -7.536 -0.854 -6.040 1.00 0.00 H new ATOM 0 HH TYR A 230 -6.871 -2.942 -5.608 1.00 0.00 H new ATOM 973 N GLU A 231 -5.059 5.231 -1.900 1.00 0.00 N ATOM 974 CA GLU A 231 -4.796 6.698 -1.976 1.00 0.00 C ATOM 975 C GLU A 231 -3.338 6.999 -1.620 1.00 0.00 C ATOM 976 O GLU A 231 -2.875 8.114 -1.754 1.00 0.00 O ATOM 977 CB GLU A 231 -5.734 7.319 -0.940 1.00 0.00 C ATOM 978 CG GLU A 231 -6.914 7.985 -1.651 1.00 0.00 C ATOM 979 CD GLU A 231 -7.618 8.939 -0.686 1.00 0.00 C ATOM 980 OE1 GLU A 231 -7.203 9.007 0.460 1.00 0.00 O ATOM 981 OE2 GLU A 231 -8.562 9.587 -1.108 1.00 0.00 O ATOM 0 H GLU A 231 -5.718 4.946 -1.175 1.00 0.00 H new ATOM 0 HA GLU A 231 -4.966 7.094 -2.977 1.00 0.00 H new ATOM 0 HB2 GLU A 231 -6.095 6.552 -0.255 1.00 0.00 H new ATOM 0 HB3 GLU A 231 -5.196 8.053 -0.341 1.00 0.00 H new ATOM 0 HG2 GLU A 231 -6.564 8.530 -2.527 1.00 0.00 H new ATOM 0 HG3 GLU A 231 -7.613 7.228 -2.005 1.00 0.00 H new ATOM 988 N SER A 232 -2.610 6.016 -1.164 1.00 0.00 N ATOM 989 CA SER A 232 -1.183 6.258 -0.797 1.00 0.00 C ATOM 990 C SER A 232 -0.268 5.232 -1.471 1.00 0.00 C ATOM 991 O SER A 232 0.929 5.416 -1.557 1.00 0.00 O ATOM 992 CB SER A 232 -1.136 6.101 0.722 1.00 0.00 C ATOM 993 OG SER A 232 0.168 5.690 1.112 1.00 0.00 O ATOM 0 H SER A 232 -2.938 5.060 -1.030 1.00 0.00 H new ATOM 0 HA SER A 232 -0.839 7.240 -1.121 1.00 0.00 H new ATOM 0 HB2 SER A 232 -1.392 7.044 1.205 1.00 0.00 H new ATOM 0 HB3 SER A 232 -1.873 5.367 1.046 1.00 0.00 H new ATOM 0 HG SER A 232 0.104 4.897 1.685 1.00 0.00 H new ATOM 999 N ILE A 233 -0.818 4.150 -1.947 1.00 0.00 N ATOM 1000 CA ILE A 233 0.026 3.113 -2.610 1.00 0.00 C ATOM 1001 C ILE A 233 -0.424 2.946 -4.070 1.00 0.00 C ATOM 1002 O ILE A 233 -0.026 2.025 -4.756 1.00 0.00 O ATOM 1003 CB ILE A 233 -0.159 1.809 -1.778 1.00 0.00 C ATOM 1004 CG1 ILE A 233 -0.480 0.615 -2.684 1.00 0.00 C ATOM 1005 CG2 ILE A 233 -1.287 1.955 -0.749 1.00 0.00 C ATOM 1006 CD1 ILE A 233 -0.815 -0.598 -1.818 1.00 0.00 C ATOM 0 H ILE A 233 -1.815 3.938 -1.906 1.00 0.00 H new ATOM 0 HA ILE A 233 1.081 3.384 -2.641 1.00 0.00 H new ATOM 0 HB ILE A 233 0.784 1.634 -1.260 1.00 0.00 H new ATOM 0 HG12 ILE A 233 -1.320 0.854 -3.336 1.00 0.00 H new ATOM 0 HG13 ILE A 233 0.371 0.393 -3.328 1.00 0.00 H new ATOM 0 HG21 ILE A 233 -1.389 1.027 -0.186 1.00 0.00 H new ATOM 0 HG22 ILE A 233 -1.052 2.770 -0.065 1.00 0.00 H new ATOM 0 HG23 ILE A 233 -2.223 2.172 -1.264 1.00 0.00 H new ATOM 0 HD11 ILE A 233 -1.044 -1.450 -2.458 1.00 0.00 H new ATOM 0 HD12 ILE A 233 0.038 -0.839 -1.184 1.00 0.00 H new ATOM 0 HD13 ILE A 233 -1.679 -0.371 -1.193 1.00 0.00 H new ATOM 1018 N GLY A 234 -1.247 3.837 -4.547 1.00 0.00 N ATOM 1019 CA GLY A 234 -1.720 3.733 -5.956 1.00 0.00 C ATOM 1020 C GLY A 234 -0.797 4.530 -6.879 1.00 0.00 C ATOM 1021 O GLY A 234 -1.243 5.354 -7.652 1.00 0.00 O ATOM 0 H GLY A 234 -1.613 4.632 -4.023 1.00 0.00 H new ATOM 0 HA2 GLY A 234 -1.742 2.688 -6.265 1.00 0.00 H new ATOM 0 HA3 GLY A 234 -2.740 4.110 -6.034 1.00 0.00 H new ATOM 1025 N GLN A 235 0.487 4.292 -6.814 1.00 0.00 N ATOM 1026 CA GLN A 235 1.424 5.043 -7.701 1.00 0.00 C ATOM 1027 C GLN A 235 2.867 4.577 -7.479 1.00 0.00 C ATOM 1028 O GLN A 235 3.798 5.353 -7.570 1.00 0.00 O ATOM 1029 CB GLN A 235 1.268 6.509 -7.295 1.00 0.00 C ATOM 1030 CG GLN A 235 1.676 6.679 -5.829 1.00 0.00 C ATOM 1031 CD GLN A 235 0.496 7.237 -5.032 1.00 0.00 C ATOM 1032 OE1 GLN A 235 -0.494 7.652 -5.599 1.00 0.00 O ATOM 1033 NE2 GLN A 235 0.560 7.263 -3.728 1.00 0.00 N ATOM 0 H GLN A 235 0.925 3.615 -6.190 1.00 0.00 H new ATOM 0 HA GLN A 235 1.201 4.884 -8.756 1.00 0.00 H new ATOM 0 HB2 GLN A 235 1.887 7.142 -7.931 1.00 0.00 H new ATOM 0 HB3 GLN A 235 0.235 6.828 -7.436 1.00 0.00 H new ATOM 0 HG2 GLN A 235 1.988 5.721 -5.414 1.00 0.00 H new ATOM 0 HG3 GLN A 235 2.530 7.352 -5.754 1.00 0.00 H new ATOM 0 HE21 GLN A 235 1.392 6.914 -3.251 1.00 0.00 H new ATOM 0 HE22 GLN A 235 -0.222 7.632 -3.186 1.00 0.00 H new ATOM 1042 N VAL A 236 3.062 3.319 -7.193 1.00 0.00 N ATOM 1043 CA VAL A 236 4.448 2.812 -6.970 1.00 0.00 C ATOM 1044 C VAL A 236 4.498 1.302 -7.204 1.00 0.00 C ATOM 1045 O VAL A 236 5.140 0.574 -6.473 1.00 0.00 O ATOM 1046 CB VAL A 236 4.757 3.127 -5.507 1.00 0.00 C ATOM 1047 CG1 VAL A 236 4.745 4.640 -5.292 1.00 0.00 C ATOM 1048 CG2 VAL A 236 3.695 2.479 -4.614 1.00 0.00 C ATOM 0 H VAL A 236 2.324 2.621 -7.104 1.00 0.00 H new ATOM 0 HA VAL A 236 5.167 3.270 -7.649 1.00 0.00 H new ATOM 0 HB VAL A 236 5.741 2.734 -5.253 1.00 0.00 H new ATOM 0 HG11 VAL A 236 4.966 4.861 -4.248 1.00 0.00 H new ATOM 0 HG12 VAL A 236 5.499 5.104 -5.928 1.00 0.00 H new ATOM 0 HG13 VAL A 236 3.762 5.036 -5.547 1.00 0.00 H new ATOM 0 HG21 VAL A 236 3.913 2.702 -3.569 1.00 0.00 H new ATOM 0 HG22 VAL A 236 2.712 2.874 -4.872 1.00 0.00 H new ATOM 0 HG23 VAL A 236 3.703 1.399 -4.764 1.00 0.00 H new ATOM 1058 N ARG A 237 3.810 0.823 -8.207 1.00 0.00 N ATOM 1059 CA ARG A 237 3.799 -0.647 -8.480 1.00 0.00 C ATOM 1060 C ARG A 237 2.980 -1.368 -7.403 1.00 0.00 C ATOM 1061 O ARG A 237 2.820 -2.578 -7.427 1.00 0.00 O ATOM 1062 CB ARG A 237 5.265 -1.082 -8.423 1.00 0.00 C ATOM 1063 CG ARG A 237 5.480 -2.277 -9.353 1.00 0.00 C ATOM 1064 CD ARG A 237 5.552 -1.789 -10.801 1.00 0.00 C ATOM 1065 NE ARG A 237 6.759 -0.919 -10.853 1.00 0.00 N ATOM 1066 CZ ARG A 237 6.696 0.252 -11.428 1.00 0.00 C ATOM 1067 NH1 ARG A 237 5.800 0.479 -12.349 1.00 0.00 N ATOM 1068 NH2 ARG A 237 7.529 1.194 -11.082 1.00 0.00 N ATOM 0 H ARG A 237 3.254 1.386 -8.851 1.00 0.00 H new ATOM 0 HA ARG A 237 3.349 -0.886 -9.443 1.00 0.00 H new ATOM 0 HB2 ARG A 237 5.912 -0.256 -8.719 1.00 0.00 H new ATOM 0 HB3 ARG A 237 5.537 -1.349 -7.402 1.00 0.00 H new ATOM 0 HG2 ARG A 237 6.400 -2.798 -9.087 1.00 0.00 H new ATOM 0 HG3 ARG A 237 4.665 -2.992 -9.239 1.00 0.00 H new ATOM 0 HD2 ARG A 237 5.637 -2.625 -11.496 1.00 0.00 H new ATOM 0 HD3 ARG A 237 4.654 -1.236 -11.076 1.00 0.00 H new ATOM 0 HE ARG A 237 7.635 -1.238 -10.439 1.00 0.00 H new ATOM 0 HH11 ARG A 237 5.149 -0.258 -12.620 1.00 0.00 H new ATOM 0 HH12 ARG A 237 5.751 1.393 -12.798 1.00 0.00 H new ATOM 0 HH21 ARG A 237 8.230 1.016 -10.362 1.00 0.00 H new ATOM 0 HH22 ARG A 237 7.480 2.109 -11.531 1.00 0.00 H new ATOM 1082 N GLY A 238 2.450 -0.633 -6.461 1.00 0.00 N ATOM 1083 CA GLY A 238 1.642 -1.266 -5.391 1.00 0.00 C ATOM 1084 C GLY A 238 0.350 -1.794 -5.993 1.00 0.00 C ATOM 1085 O GLY A 238 0.063 -2.969 -5.932 1.00 0.00 O ATOM 0 H GLY A 238 2.545 0.380 -6.391 1.00 0.00 H new ATOM 0 HA2 GLY A 238 2.201 -2.079 -4.928 1.00 0.00 H new ATOM 0 HA3 GLY A 238 1.423 -0.542 -4.606 1.00 0.00 H new ATOM 1089 N LEU A 239 -0.430 -0.939 -6.582 1.00 0.00 N ATOM 1090 CA LEU A 239 -1.704 -1.402 -7.190 1.00 0.00 C ATOM 1091 C LEU A 239 -1.473 -2.691 -7.976 1.00 0.00 C ATOM 1092 O LEU A 239 -2.335 -3.539 -8.048 1.00 0.00 O ATOM 1093 CB LEU A 239 -2.134 -0.270 -8.119 1.00 0.00 C ATOM 1094 CG LEU A 239 -2.912 0.771 -7.317 1.00 0.00 C ATOM 1095 CD1 LEU A 239 -3.053 2.050 -8.142 1.00 0.00 C ATOM 1096 CD2 LEU A 239 -4.301 0.221 -6.984 1.00 0.00 C ATOM 0 H LEU A 239 -0.242 0.060 -6.669 1.00 0.00 H new ATOM 0 HA LEU A 239 -2.466 -1.621 -6.442 1.00 0.00 H new ATOM 0 HB2 LEU A 239 -1.260 0.189 -8.581 1.00 0.00 H new ATOM 0 HB3 LEU A 239 -2.753 -0.661 -8.926 1.00 0.00 H new ATOM 0 HG LEU A 239 -2.378 0.994 -6.393 1.00 0.00 H new ATOM 0 HD11 LEU A 239 -3.608 2.793 -7.569 1.00 0.00 H new ATOM 0 HD12 LEU A 239 -2.064 2.441 -8.380 1.00 0.00 H new ATOM 0 HD13 LEU A 239 -3.588 1.830 -9.066 1.00 0.00 H new ATOM 0 HD21 LEU A 239 -4.858 0.962 -6.411 1.00 0.00 H new ATOM 0 HD22 LEU A 239 -4.836 -0.001 -7.908 1.00 0.00 H new ATOM 0 HD23 LEU A 239 -4.200 -0.691 -6.395 1.00 0.00 H new ATOM 1108 N LYS A 240 -0.318 -2.853 -8.558 1.00 0.00 N ATOM 1109 CA LYS A 240 -0.053 -4.102 -9.326 1.00 0.00 C ATOM 1110 C LYS A 240 -0.026 -5.294 -8.373 1.00 0.00 C ATOM 1111 O LYS A 240 -0.827 -6.202 -8.478 1.00 0.00 O ATOM 1112 CB LYS A 240 1.317 -3.902 -9.970 1.00 0.00 C ATOM 1113 CG LYS A 240 1.394 -4.709 -11.267 1.00 0.00 C ATOM 1114 CD LYS A 240 2.430 -5.826 -11.116 1.00 0.00 C ATOM 1115 CE LYS A 240 2.979 -6.205 -12.493 1.00 0.00 C ATOM 1116 NZ LYS A 240 4.458 -6.248 -12.320 1.00 0.00 N ATOM 0 H LYS A 240 0.449 -2.181 -8.536 1.00 0.00 H new ATOM 0 HA LYS A 240 -0.821 -4.298 -10.074 1.00 0.00 H new ATOM 0 HB2 LYS A 240 1.483 -2.845 -10.177 1.00 0.00 H new ATOM 0 HB3 LYS A 240 2.103 -4.220 -9.284 1.00 0.00 H new ATOM 0 HG2 LYS A 240 0.418 -5.134 -11.501 1.00 0.00 H new ATOM 0 HG3 LYS A 240 1.666 -4.057 -12.097 1.00 0.00 H new ATOM 0 HD2 LYS A 240 3.242 -5.498 -10.467 1.00 0.00 H new ATOM 0 HD3 LYS A 240 1.975 -6.696 -10.642 1.00 0.00 H new ATOM 0 HE2 LYS A 240 2.592 -7.170 -12.820 1.00 0.00 H new ATOM 0 HE3 LYS A 240 2.691 -5.473 -13.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 240 4.906 -6.502 -13.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 240 4.799 -5.314 -12.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 240 4.703 -6.958 -11.601 1.00 0.00 H new ATOM 1130 N ARG A 241 0.873 -5.294 -7.427 1.00 0.00 N ATOM 1131 CA ARG A 241 0.919 -6.430 -6.463 1.00 0.00 C ATOM 1132 C ARG A 241 -0.307 -6.349 -5.553 1.00 0.00 C ATOM 1133 O ARG A 241 -0.822 -7.347 -5.086 1.00 0.00 O ATOM 1134 CB ARG A 241 2.210 -6.238 -5.669 1.00 0.00 C ATOM 1135 CG ARG A 241 3.354 -6.972 -6.372 1.00 0.00 C ATOM 1136 CD ARG A 241 4.641 -6.806 -5.561 1.00 0.00 C ATOM 1137 NE ARG A 241 5.742 -6.986 -6.548 1.00 0.00 N ATOM 1138 CZ ARG A 241 6.746 -7.773 -6.268 1.00 0.00 C ATOM 1139 NH1 ARG A 241 6.619 -9.066 -6.397 1.00 0.00 N ATOM 1140 NH2 ARG A 241 7.879 -7.267 -5.861 1.00 0.00 N ATOM 0 H ARG A 241 1.571 -4.565 -7.280 1.00 0.00 H new ATOM 0 HA ARG A 241 0.906 -7.406 -6.949 1.00 0.00 H new ATOM 0 HB2 ARG A 241 2.443 -5.177 -5.583 1.00 0.00 H new ATOM 0 HB3 ARG A 241 2.087 -6.620 -4.656 1.00 0.00 H new ATOM 0 HG2 ARG A 241 3.112 -8.029 -6.477 1.00 0.00 H new ATOM 0 HG3 ARG A 241 3.491 -6.575 -7.378 1.00 0.00 H new ATOM 0 HD2 ARG A 241 4.688 -5.823 -5.091 1.00 0.00 H new ATOM 0 HD3 ARG A 241 4.702 -7.545 -4.762 1.00 0.00 H new ATOM 0 HE ARG A 241 5.712 -6.495 -7.442 1.00 0.00 H new ATOM 0 HH11 ARG A 241 5.735 -9.462 -6.717 1.00 0.00 H new ATOM 0 HH12 ARG A 241 7.404 -9.680 -6.178 1.00 0.00 H new ATOM 0 HH21 ARG A 241 7.980 -6.257 -5.762 1.00 0.00 H new ATOM 0 HH22 ARG A 241 8.663 -7.882 -5.642 1.00 0.00 H new ATOM 1154 N LEU A 242 -0.792 -5.160 -5.327 1.00 0.00 N ATOM 1155 CA LEU A 242 -2.001 -4.983 -4.481 1.00 0.00 C ATOM 1156 C LEU A 242 -3.210 -5.494 -5.254 1.00 0.00 C ATOM 1157 O LEU A 242 -4.128 -6.066 -4.698 1.00 0.00 O ATOM 1158 CB LEU A 242 -2.096 -3.472 -4.265 1.00 0.00 C ATOM 1159 CG LEU A 242 -2.867 -3.163 -2.980 1.00 0.00 C ATOM 1160 CD1 LEU A 242 -4.131 -4.021 -2.924 1.00 0.00 C ATOM 1161 CD2 LEU A 242 -1.987 -3.466 -1.765 1.00 0.00 C ATOM 0 H LEU A 242 -0.397 -4.296 -5.697 1.00 0.00 H new ATOM 0 HA LEU A 242 -1.958 -5.523 -3.535 1.00 0.00 H new ATOM 0 HB2 LEU A 242 -1.096 -3.043 -4.208 1.00 0.00 H new ATOM 0 HB3 LEU A 242 -2.594 -3.007 -5.116 1.00 0.00 H new ATOM 0 HG LEU A 242 -3.143 -2.109 -2.970 1.00 0.00 H new ATOM 0 HD11 LEU A 242 -4.680 -3.801 -2.009 1.00 0.00 H new ATOM 0 HD12 LEU A 242 -4.760 -3.799 -3.786 1.00 0.00 H new ATOM 0 HD13 LEU A 242 -3.856 -5.076 -2.937 1.00 0.00 H new ATOM 0 HD21 LEU A 242 -2.539 -3.245 -0.852 1.00 0.00 H new ATOM 0 HD22 LEU A 242 -1.706 -4.519 -1.773 1.00 0.00 H new ATOM 0 HD23 LEU A 242 -1.088 -2.850 -1.804 1.00 0.00 H new ATOM 1173 N ASP A 243 -3.206 -5.305 -6.546 1.00 0.00 N ATOM 1174 CA ASP A 243 -4.348 -5.798 -7.367 1.00 0.00 C ATOM 1175 C ASP A 243 -4.368 -7.322 -7.322 1.00 0.00 C ATOM 1176 O ASP A 243 -5.380 -7.936 -7.046 1.00 0.00 O ATOM 1177 CB ASP A 243 -4.078 -5.309 -8.791 1.00 0.00 C ATOM 1178 CG ASP A 243 -4.690 -3.920 -8.979 1.00 0.00 C ATOM 1179 OD1 ASP A 243 -4.891 -3.242 -7.985 1.00 0.00 O ATOM 1180 OD2 ASP A 243 -4.951 -3.557 -10.114 1.00 0.00 O ATOM 0 H ASP A 243 -2.466 -4.833 -7.066 1.00 0.00 H new ATOM 0 HA ASP A 243 -5.310 -5.437 -7.004 1.00 0.00 H new ATOM 0 HB2 ASP A 243 -3.005 -5.273 -8.977 1.00 0.00 H new ATOM 0 HB3 ASP A 243 -4.503 -6.006 -9.513 1.00 0.00 H new ATOM 1185 N ASN A 244 -3.247 -7.941 -7.577 1.00 0.00 N ATOM 1186 CA ASN A 244 -3.198 -9.427 -7.530 1.00 0.00 C ATOM 1187 C ASN A 244 -3.484 -9.897 -6.103 1.00 0.00 C ATOM 1188 O ASN A 244 -3.888 -11.021 -5.878 1.00 0.00 O ATOM 1189 CB ASN A 244 -1.774 -9.795 -7.947 1.00 0.00 C ATOM 1190 CG ASN A 244 -1.795 -10.433 -9.337 1.00 0.00 C ATOM 1191 OD1 ASN A 244 -1.103 -11.400 -9.586 1.00 0.00 O ATOM 1192 ND2 ASN A 244 -2.566 -9.928 -10.262 1.00 0.00 N ATOM 0 H ASN A 244 -2.367 -7.483 -7.815 1.00 0.00 H new ATOM 0 HA ASN A 244 -3.936 -9.895 -8.182 1.00 0.00 H new ATOM 0 HB2 ASN A 244 -1.145 -8.905 -7.954 1.00 0.00 H new ATOM 0 HB3 ASN A 244 -1.340 -10.487 -7.225 1.00 0.00 H new ATOM 0 HD21 ASN A 244 -2.587 -10.345 -11.192 1.00 0.00 H new ATOM 0 HD22 ASN A 244 -3.147 -9.116 -10.054 1.00 0.00 H new ATOM 1199 N TYR A 245 -3.297 -9.037 -5.136 1.00 0.00 N ATOM 1200 CA TYR A 245 -3.579 -9.431 -3.735 1.00 0.00 C ATOM 1201 C TYR A 245 -5.084 -9.363 -3.496 1.00 0.00 C ATOM 1202 O TYR A 245 -5.661 -10.198 -2.830 1.00 0.00 O ATOM 1203 CB TYR A 245 -2.855 -8.402 -2.868 1.00 0.00 C ATOM 1204 CG TYR A 245 -3.371 -8.502 -1.454 1.00 0.00 C ATOM 1205 CD1 TYR A 245 -4.529 -7.808 -1.082 1.00 0.00 C ATOM 1206 CD2 TYR A 245 -2.699 -9.294 -0.516 1.00 0.00 C ATOM 1207 CE1 TYR A 245 -5.014 -7.906 0.227 1.00 0.00 C ATOM 1208 CE2 TYR A 245 -3.183 -9.391 0.793 1.00 0.00 C ATOM 1209 CZ TYR A 245 -4.340 -8.698 1.165 1.00 0.00 C ATOM 1210 OH TYR A 245 -4.818 -8.796 2.454 1.00 0.00 O ATOM 0 H TYR A 245 -2.962 -8.082 -5.261 1.00 0.00 H new ATOM 0 HA TYR A 245 -3.247 -10.444 -3.507 1.00 0.00 H new ATOM 0 HB2 TYR A 245 -1.780 -8.581 -2.890 1.00 0.00 H new ATOM 0 HB3 TYR A 245 -3.019 -7.398 -3.259 1.00 0.00 H new ATOM 0 HD1 TYR A 245 -5.048 -7.197 -1.806 1.00 0.00 H new ATOM 0 HD2 TYR A 245 -1.807 -9.830 -0.803 1.00 0.00 H new ATOM 0 HE1 TYR A 245 -5.907 -7.371 0.514 1.00 0.00 H new ATOM 0 HE2 TYR A 245 -2.663 -10.001 1.517 1.00 0.00 H new ATOM 0 HH TYR A 245 -5.790 -8.670 2.453 1.00 0.00 H new ATOM 1220 N CYS A 246 -5.722 -8.372 -4.052 1.00 0.00 N ATOM 1221 CA CYS A 246 -7.188 -8.240 -3.877 1.00 0.00 C ATOM 1222 C CYS A 246 -7.893 -9.416 -4.548 1.00 0.00 C ATOM 1223 O CYS A 246 -8.907 -9.889 -4.086 1.00 0.00 O ATOM 1224 CB CYS A 246 -7.558 -6.925 -4.564 1.00 0.00 C ATOM 1225 SG CYS A 246 -7.249 -5.545 -3.433 1.00 0.00 S ATOM 0 H CYS A 246 -5.286 -7.647 -4.622 1.00 0.00 H new ATOM 0 HA CYS A 246 -7.485 -8.241 -2.828 1.00 0.00 H new ATOM 0 HB2 CYS A 246 -6.972 -6.801 -5.475 1.00 0.00 H new ATOM 0 HB3 CYS A 246 -8.607 -6.939 -4.859 1.00 0.00 H new ATOM 0 HG CYS A 246 -6.872 -4.503 -4.113 1.00 0.00 H new ATOM 1231 N LYS A 247 -7.353 -9.896 -5.633 1.00 0.00 N ATOM 1232 CA LYS A 247 -7.987 -11.050 -6.328 1.00 0.00 C ATOM 1233 C LYS A 247 -7.580 -12.350 -5.626 1.00 0.00 C ATOM 1234 O LYS A 247 -8.274 -13.347 -5.684 1.00 0.00 O ATOM 1235 CB LYS A 247 -7.461 -10.969 -7.777 1.00 0.00 C ATOM 1236 CG LYS A 247 -6.584 -12.183 -8.126 1.00 0.00 C ATOM 1237 CD LYS A 247 -6.397 -12.267 -9.643 1.00 0.00 C ATOM 1238 CE LYS A 247 -6.053 -10.882 -10.199 1.00 0.00 C ATOM 1239 NZ LYS A 247 -5.708 -11.120 -11.629 1.00 0.00 N ATOM 0 H LYS A 247 -6.502 -9.540 -6.068 1.00 0.00 H new ATOM 0 HA LYS A 247 -9.077 -11.028 -6.313 1.00 0.00 H new ATOM 0 HB2 LYS A 247 -8.302 -10.916 -8.468 1.00 0.00 H new ATOM 0 HB3 LYS A 247 -6.884 -10.053 -7.905 1.00 0.00 H new ATOM 0 HG2 LYS A 247 -5.615 -12.096 -7.635 1.00 0.00 H new ATOM 0 HG3 LYS A 247 -7.048 -13.097 -7.756 1.00 0.00 H new ATOM 0 HD2 LYS A 247 -5.602 -12.973 -9.882 1.00 0.00 H new ATOM 0 HD3 LYS A 247 -7.307 -12.641 -10.111 1.00 0.00 H new ATOM 0 HE2 LYS A 247 -6.896 -10.197 -10.104 1.00 0.00 H new ATOM 0 HE3 LYS A 247 -5.218 -10.436 -9.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 247 -5.460 -10.217 -12.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 247 -4.898 -11.770 -11.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 247 -6.525 -11.539 -12.118 1.00 0.00 H new ATOM 1253 N GLN A 248 -6.464 -12.338 -4.953 1.00 0.00 N ATOM 1254 CA GLN A 248 -6.012 -13.559 -4.234 1.00 0.00 C ATOM 1255 C GLN A 248 -6.507 -13.516 -2.790 1.00 0.00 C ATOM 1256 O GLN A 248 -6.366 -14.465 -2.044 1.00 0.00 O ATOM 1257 CB GLN A 248 -4.484 -13.505 -4.279 1.00 0.00 C ATOM 1258 CG GLN A 248 -3.916 -14.920 -4.158 1.00 0.00 C ATOM 1259 CD GLN A 248 -2.403 -14.847 -3.944 1.00 0.00 C ATOM 1260 OE1 GLN A 248 -1.750 -13.948 -4.437 1.00 0.00 O ATOM 1261 NE2 GLN A 248 -1.812 -15.762 -3.226 1.00 0.00 N ATOM 0 H GLN A 248 -5.844 -11.532 -4.870 1.00 0.00 H new ATOM 0 HA GLN A 248 -6.396 -14.475 -4.682 1.00 0.00 H new ATOM 0 HB2 GLN A 248 -4.154 -13.048 -5.212 1.00 0.00 H new ATOM 0 HB3 GLN A 248 -4.108 -12.881 -3.468 1.00 0.00 H new ATOM 0 HG2 GLN A 248 -4.387 -15.442 -3.325 1.00 0.00 H new ATOM 0 HG3 GLN A 248 -4.139 -15.491 -5.059 1.00 0.00 H new ATOM 0 HE21 GLN A 248 -2.359 -16.517 -2.812 1.00 0.00 H new ATOM 0 HE22 GLN A 248 -0.803 -15.722 -3.079 1.00 0.00 H new ATOM 1270 N PHE A 249 -7.082 -12.414 -2.387 1.00 0.00 N ATOM 1271 CA PHE A 249 -7.578 -12.305 -0.988 1.00 0.00 C ATOM 1272 C PHE A 249 -8.977 -11.675 -0.942 1.00 0.00 C ATOM 1273 O PHE A 249 -9.689 -11.820 0.031 1.00 0.00 O ATOM 1274 CB PHE A 249 -6.567 -11.401 -0.286 1.00 0.00 C ATOM 1275 CG PHE A 249 -5.274 -12.153 -0.083 1.00 0.00 C ATOM 1276 CD1 PHE A 249 -5.205 -13.175 0.871 1.00 0.00 C ATOM 1277 CD2 PHE A 249 -4.145 -11.828 -0.845 1.00 0.00 C ATOM 1278 CE1 PHE A 249 -4.007 -13.873 1.063 1.00 0.00 C ATOM 1279 CE2 PHE A 249 -2.947 -12.525 -0.652 1.00 0.00 C ATOM 1280 CZ PHE A 249 -2.877 -13.547 0.301 1.00 0.00 C ATOM 0 H PHE A 249 -7.229 -11.587 -2.966 1.00 0.00 H new ATOM 0 HA PHE A 249 -7.666 -13.283 -0.514 1.00 0.00 H new ATOM 0 HB2 PHE A 249 -6.389 -10.505 -0.881 1.00 0.00 H new ATOM 0 HB3 PHE A 249 -6.963 -11.072 0.675 1.00 0.00 H new ATOM 0 HD1 PHE A 249 -6.076 -13.425 1.459 1.00 0.00 H new ATOM 0 HD2 PHE A 249 -4.199 -11.040 -1.581 1.00 0.00 H new ATOM 0 HE1 PHE A 249 -3.954 -14.662 1.798 1.00 0.00 H new ATOM 0 HE2 PHE A 249 -2.076 -12.274 -1.239 1.00 0.00 H new ATOM 0 HZ PHE A 249 -1.952 -14.085 0.449 1.00 0.00 H new ATOM 1290 N ILE A 250 -9.381 -10.968 -1.967 1.00 0.00 N ATOM 1291 CA ILE A 250 -10.734 -10.338 -1.925 1.00 0.00 C ATOM 1292 C ILE A 250 -11.583 -10.776 -3.125 1.00 0.00 C ATOM 1293 O ILE A 250 -12.795 -10.800 -3.059 1.00 0.00 O ATOM 1294 CB ILE A 250 -10.461 -8.829 -1.951 1.00 0.00 C ATOM 1295 CG1 ILE A 250 -10.169 -8.352 -0.529 1.00 0.00 C ATOM 1296 CG2 ILE A 250 -11.679 -8.077 -2.489 1.00 0.00 C ATOM 1297 CD1 ILE A 250 -8.815 -7.641 -0.499 1.00 0.00 C ATOM 0 H ILE A 250 -8.843 -10.802 -2.817 1.00 0.00 H new ATOM 0 HA ILE A 250 -11.300 -10.633 -1.042 1.00 0.00 H new ATOM 0 HB ILE A 250 -9.608 -8.633 -2.600 1.00 0.00 H new ATOM 0 HG12 ILE A 250 -10.955 -7.676 -0.192 1.00 0.00 H new ATOM 0 HG13 ILE A 250 -10.162 -9.200 0.156 1.00 0.00 H new ATOM 0 HG21 ILE A 250 -11.470 -7.007 -2.501 1.00 0.00 H new ATOM 0 HG22 ILE A 250 -11.898 -8.416 -3.502 1.00 0.00 H new ATOM 0 HG23 ILE A 250 -12.539 -8.271 -1.848 1.00 0.00 H new ATOM 0 HD11 ILE A 250 -8.605 -7.300 0.515 1.00 0.00 H new ATOM 0 HD12 ILE A 250 -8.034 -8.331 -0.818 1.00 0.00 H new ATOM 0 HD13 ILE A 250 -8.839 -6.784 -1.172 1.00 0.00 H new ATOM 1309 N ILE A 251 -10.967 -11.121 -4.220 1.00 0.00 N ATOM 1310 CA ILE A 251 -11.758 -11.551 -5.409 1.00 0.00 C ATOM 1311 C ILE A 251 -11.140 -12.814 -6.016 1.00 0.00 C ATOM 1312 O ILE A 251 -10.670 -13.684 -5.310 1.00 0.00 O ATOM 1313 CB ILE A 251 -11.684 -10.385 -6.405 1.00 0.00 C ATOM 1314 CG1 ILE A 251 -11.611 -9.049 -5.656 1.00 0.00 C ATOM 1315 CG2 ILE A 251 -12.935 -10.393 -7.282 1.00 0.00 C ATOM 1316 CD1 ILE A 251 -11.423 -7.910 -6.660 1.00 0.00 C ATOM 0 H ILE A 251 -9.955 -11.125 -4.345 1.00 0.00 H new ATOM 0 HA ILE A 251 -12.790 -11.785 -5.149 1.00 0.00 H new ATOM 0 HB ILE A 251 -10.791 -10.501 -7.019 1.00 0.00 H new ATOM 0 HG12 ILE A 251 -12.523 -8.893 -5.080 1.00 0.00 H new ATOM 0 HG13 ILE A 251 -10.784 -9.063 -4.946 1.00 0.00 H new ATOM 0 HG21 ILE A 251 -12.887 -9.567 -7.991 1.00 0.00 H new ATOM 0 HG22 ILE A 251 -12.992 -11.336 -7.826 1.00 0.00 H new ATOM 0 HG23 ILE A 251 -13.820 -10.282 -6.655 1.00 0.00 H new ATOM 0 HD11 ILE A 251 -11.371 -6.960 -6.127 1.00 0.00 H new ATOM 0 HD12 ILE A 251 -10.499 -8.065 -7.217 1.00 0.00 H new ATOM 0 HD13 ILE A 251 -12.265 -7.892 -7.352 1.00 0.00 H new