USER MOD reduce.3.24.130724 H: found=0, std=0, add=289, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 290 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 Single : P 231 SER OG : rot 180:sc= 0 USER MOD Single : W 536 SER OG : rot 180:sc= 0 USER MOD Single : W 537 MET CE :methyl -102:sc= -1.78! (180deg=-3.78!) USER MOD Single : W 538 GLN : amide:sc= -0.402 K(o=-0.4,f=-4!) USER MOD Single : W 542 ASN :FLIP amide:sc= -1.7 F(o=-2.5!,f=-1.7) USER MOD Single : W 545 THR OG1 : rot 180:sc= 0.109 USER MOD Single : W 550 HIS : no HE2:sc= -1.3 X(o=-1.3,f=-0.81) USER MOD Single : W 552 SER OG : rot 180:sc= 0 USER MOD Single : W 555 THR OG1 : rot -13:sc= -1.37 USER MOD Single : W 556 THR OG1 : rot 180:sc= -0.439 USER MOD Single : W 562 ASN : amide:sc= -3.62! C(o=-3.6!,f=-6.4!) USER MOD ----------------------------------------------------------------- ATOM 127 N LEU W 531 -6.256 -2.003 -0.940 1.00 0.00 N ATOM 128 CA LEU W 531 -4.991 -2.663 -1.239 1.00 0.00 C ATOM 129 C LEU W 531 -5.223 -3.902 -2.103 1.00 0.00 C ATOM 130 O LEU W 531 -6.022 -4.769 -1.749 1.00 0.00 O ATOM 131 CB LEU W 531 -4.284 -3.056 0.059 1.00 0.00 C ATOM 132 CG LEU W 531 -4.519 -2.108 1.235 1.00 0.00 C ATOM 133 CD1 LEU W 531 -3.784 -2.601 2.471 1.00 0.00 C ATOM 134 CD2 LEU W 531 -4.081 -0.696 0.876 1.00 0.00 C ATOM 0 HA LEU W 531 -4.360 -1.967 -1.792 1.00 0.00 H new ATOM 0 HB2 LEU W 531 -4.612 -4.055 0.346 1.00 0.00 H new ATOM 0 HB3 LEU W 531 -3.213 -3.115 -0.132 1.00 0.00 H new ATOM 0 HG LEU W 531 -5.586 -2.089 1.457 1.00 0.00 H new ATOM 0 HD11 LEU W 531 -3.962 -1.914 3.298 1.00 0.00 H new ATOM 0 HD12 LEU W 531 -4.147 -3.593 2.738 1.00 0.00 H new ATOM 0 HD13 LEU W 531 -2.715 -2.649 2.264 1.00 0.00 H new ATOM 0 HD21 LEU W 531 -4.255 -0.034 1.724 1.00 0.00 H new ATOM 0 HD22 LEU W 531 -3.020 -0.696 0.628 1.00 0.00 H new ATOM 0 HD23 LEU W 531 -4.654 -0.344 0.018 1.00 0.00 H new ATOM 146 N PRO W 532 -4.540 -4.001 -3.257 1.00 0.00 N ATOM 147 CA PRO W 532 -4.693 -5.137 -4.169 1.00 0.00 C ATOM 148 C PRO W 532 -4.565 -6.493 -3.473 1.00 0.00 C ATOM 149 O PRO W 532 -4.488 -6.574 -2.248 1.00 0.00 O ATOM 150 CB PRO W 532 -3.566 -4.936 -5.179 1.00 0.00 C ATOM 151 CG PRO W 532 -3.335 -3.468 -5.187 1.00 0.00 C ATOM 152 CD PRO W 532 -3.580 -3.008 -3.776 1.00 0.00 C ATOM 0 HA PRO W 532 -5.687 -5.159 -4.615 1.00 0.00 H new ATOM 0 HB2 PRO W 532 -2.667 -5.478 -4.885 1.00 0.00 H new ATOM 0 HB3 PRO W 532 -3.848 -5.299 -6.167 1.00 0.00 H new ATOM 0 HG2 PRO W 532 -2.319 -3.234 -5.504 1.00 0.00 H new ATOM 0 HG3 PRO W 532 -4.009 -2.970 -5.884 1.00 0.00 H new ATOM 0 HD2 PRO W 532 -2.660 -2.995 -3.192 1.00 0.00 H new ATOM 0 HD3 PRO W 532 -3.990 -1.999 -3.748 1.00 0.00 H new ATOM 160 N PRO W 533 -4.579 -7.582 -4.262 1.00 0.00 N ATOM 161 CA PRO W 533 -4.504 -8.958 -3.744 1.00 0.00 C ATOM 162 C PRO W 533 -3.203 -9.315 -3.049 1.00 0.00 C ATOM 163 O PRO W 533 -3.135 -10.307 -2.322 1.00 0.00 O ATOM 164 CB PRO W 533 -4.641 -9.822 -4.995 1.00 0.00 C ATOM 165 CG PRO W 533 -5.232 -8.933 -6.032 1.00 0.00 C ATOM 166 CD PRO W 533 -4.710 -7.563 -5.729 1.00 0.00 C ATOM 0 HA PRO W 533 -5.270 -9.101 -2.982 1.00 0.00 H new ATOM 0 HB2 PRO W 533 -3.672 -10.206 -5.314 1.00 0.00 H new ATOM 0 HB3 PRO W 533 -5.280 -10.685 -4.808 1.00 0.00 H new ATOM 0 HG2 PRO W 533 -4.942 -9.251 -7.033 1.00 0.00 H new ATOM 0 HG3 PRO W 533 -6.321 -8.955 -5.994 1.00 0.00 H new ATOM 0 HD2 PRO W 533 -3.754 -7.377 -6.218 1.00 0.00 H new ATOM 0 HD3 PRO W 533 -5.396 -6.785 -6.064 1.00 0.00 H new ATOM 174 N ARG W 534 -2.170 -8.541 -3.287 1.00 0.00 N ATOM 175 CA ARG W 534 -0.874 -8.834 -2.687 1.00 0.00 C ATOM 176 C ARG W 534 -0.172 -7.577 -2.207 1.00 0.00 C ATOM 177 O ARG W 534 1.015 -7.381 -2.470 1.00 0.00 O ATOM 178 CB ARG W 534 0.005 -9.575 -3.694 1.00 0.00 C ATOM 179 CG ARG W 534 -0.477 -10.986 -3.991 1.00 0.00 C ATOM 180 CD ARG W 534 -0.156 -11.933 -2.847 1.00 0.00 C ATOM 181 NE ARG W 534 -0.581 -13.301 -3.132 1.00 0.00 N ATOM 182 CZ ARG W 534 -1.835 -13.722 -3.007 1.00 0.00 C ATOM 183 NH1 ARG W 534 -2.783 -12.879 -2.622 1.00 0.00 N ATOM 184 NH2 ARG W 534 -2.143 -14.984 -3.269 1.00 0.00 N ATOM 0 H ARG W 534 -2.192 -7.713 -3.882 1.00 0.00 H new ATOM 0 HA ARG W 534 -1.046 -9.464 -1.814 1.00 0.00 H new ATOM 0 HB2 ARG W 534 0.038 -9.007 -4.624 1.00 0.00 H new ATOM 0 HB3 ARG W 534 1.025 -9.620 -3.311 1.00 0.00 H new ATOM 0 HG2 ARG W 534 -1.553 -10.975 -4.166 1.00 0.00 H new ATOM 0 HG3 ARG W 534 -0.009 -11.347 -4.907 1.00 0.00 H new ATOM 0 HD2 ARG W 534 0.917 -11.919 -2.656 1.00 0.00 H new ATOM 0 HD3 ARG W 534 -0.646 -11.583 -1.939 1.00 0.00 H new ATOM 0 HE ARG W 534 0.123 -13.970 -3.444 1.00 0.00 H new ATOM 0 HH11 ARG W 534 -2.550 -11.906 -2.422 1.00 0.00 H new ATOM 0 HH12 ARG W 534 -3.745 -13.203 -2.526 1.00 0.00 H new ATOM 0 HH21 ARG W 534 -1.417 -15.635 -3.567 1.00 0.00 H new ATOM 0 HH22 ARG W 534 -3.106 -15.304 -3.172 1.00 0.00 H new ATOM 198 N TRP W 535 -0.904 -6.727 -1.504 1.00 0.00 N ATOM 199 CA TRP W 535 -0.325 -5.491 -0.998 1.00 0.00 C ATOM 200 C TRP W 535 -0.860 -5.129 0.383 1.00 0.00 C ATOM 201 O TRP W 535 -1.829 -5.716 0.865 1.00 0.00 O ATOM 202 CB TRP W 535 -0.597 -4.356 -1.974 1.00 0.00 C ATOM 203 CG TRP W 535 0.055 -4.557 -3.304 1.00 0.00 C ATOM 204 CD1 TRP W 535 -0.275 -5.489 -4.244 1.00 0.00 C ATOM 205 CD2 TRP W 535 1.153 -3.814 -3.840 1.00 0.00 C ATOM 206 NE1 TRP W 535 0.543 -5.365 -5.340 1.00 0.00 N ATOM 207 CE2 TRP W 535 1.431 -4.342 -5.115 1.00 0.00 C ATOM 208 CE3 TRP W 535 1.925 -2.748 -3.369 1.00 0.00 C ATOM 209 CZ2 TRP W 535 2.448 -3.838 -5.922 1.00 0.00 C ATOM 210 CZ3 TRP W 535 2.935 -2.251 -4.170 1.00 0.00 C ATOM 211 CH2 TRP W 535 3.189 -2.795 -5.435 1.00 0.00 C ATOM 0 H TRP W 535 -1.888 -6.866 -1.273 1.00 0.00 H new ATOM 0 HA TRP W 535 0.750 -5.647 -0.901 1.00 0.00 H new ATOM 0 HB2 TRP W 535 -1.673 -4.256 -2.115 1.00 0.00 H new ATOM 0 HB3 TRP W 535 -0.244 -3.420 -1.541 1.00 0.00 H new ATOM 0 HD1 TRP W 535 -1.065 -6.218 -4.141 1.00 0.00 H new ATOM 0 HE1 TRP W 535 0.498 -5.938 -6.182 1.00 0.00 H new ATOM 0 HE3 TRP W 535 1.735 -2.320 -2.396 1.00 0.00 H new ATOM 0 HZ2 TRP W 535 2.645 -4.256 -6.898 1.00 0.00 H new ATOM 0 HZ3 TRP W 535 3.539 -1.429 -3.815 1.00 0.00 H new ATOM 0 HH2 TRP W 535 3.985 -2.384 -6.038 1.00 0.00 H new ATOM 222 N SER W 536 -0.210 -4.152 1.010 1.00 0.00 N ATOM 223 CA SER W 536 -0.598 -3.689 2.337 1.00 0.00 C ATOM 224 C SER W 536 -0.314 -2.200 2.488 1.00 0.00 C ATOM 225 O SER W 536 -0.120 -1.491 1.500 1.00 0.00 O ATOM 226 CB SER W 536 0.154 -4.472 3.413 1.00 0.00 C ATOM 227 OG SER W 536 -0.736 -5.225 4.218 1.00 0.00 O ATOM 0 H SER W 536 0.594 -3.663 0.616 1.00 0.00 H new ATOM 0 HA SER W 536 -1.668 -3.856 2.458 1.00 0.00 H new ATOM 0 HB2 SER W 536 0.876 -5.140 2.942 1.00 0.00 H new ATOM 0 HB3 SER W 536 0.719 -3.782 4.040 1.00 0.00 H new ATOM 0 HG SER W 536 -0.227 -5.717 4.896 1.00 0.00 H new ATOM 233 N MET W 537 -0.289 -1.731 3.729 1.00 0.00 N ATOM 234 CA MET W 537 -0.028 -0.325 4.005 1.00 0.00 C ATOM 235 C MET W 537 0.914 -0.165 5.194 1.00 0.00 C ATOM 236 O MET W 537 0.869 -0.944 6.145 1.00 0.00 O ATOM 237 CB MET W 537 -1.340 0.403 4.281 1.00 0.00 C ATOM 238 CG MET W 537 -2.207 0.581 3.047 1.00 0.00 C ATOM 239 SD MET W 537 -3.354 1.964 3.194 1.00 0.00 S ATOM 240 CE MET W 537 -4.830 1.126 3.767 1.00 0.00 C ATOM 0 H MET W 537 -0.446 -2.303 4.559 1.00 0.00 H new ATOM 0 HA MET W 537 0.451 0.111 3.128 1.00 0.00 H new ATOM 0 HB2 MET W 537 -1.902 -0.151 5.033 1.00 0.00 H new ATOM 0 HB3 MET W 537 -1.120 1.383 4.705 1.00 0.00 H new ATOM 0 HG2 MET W 537 -1.567 0.736 2.178 1.00 0.00 H new ATOM 0 HG3 MET W 537 -2.770 -0.335 2.869 1.00 0.00 H new ATOM 0 HE1 MET W 537 -5.524 1.003 2.936 1.00 0.00 H new ATOM 0 HE2 MET W 537 -4.562 0.147 4.164 1.00 0.00 H new ATOM 0 HE3 MET W 537 -5.304 1.718 4.550 1.00 0.00 H new ATOM 250 N GLN W 538 1.764 0.855 5.132 1.00 0.00 N ATOM 251 CA GLN W 538 2.715 1.123 6.204 1.00 0.00 C ATOM 252 C GLN W 538 3.307 2.522 6.064 1.00 0.00 C ATOM 253 O GLN W 538 3.805 2.894 5.001 1.00 0.00 O ATOM 254 CB GLN W 538 3.833 0.078 6.198 1.00 0.00 C ATOM 255 CG GLN W 538 4.772 0.185 7.389 1.00 0.00 C ATOM 256 CD GLN W 538 4.182 -0.412 8.652 1.00 0.00 C ATOM 257 OE1 GLN W 538 2.991 -0.266 8.924 1.00 0.00 O ATOM 258 NE2 GLN W 538 5.018 -1.090 9.431 1.00 0.00 N ATOM 0 H GLN W 538 1.813 1.509 4.351 1.00 0.00 H new ATOM 0 HA GLN W 538 2.182 1.065 7.153 1.00 0.00 H new ATOM 0 HB2 GLN W 538 3.389 -0.917 6.184 1.00 0.00 H new ATOM 0 HB3 GLN W 538 4.411 0.182 5.280 1.00 0.00 H new ATOM 0 HG2 GLN W 538 5.709 -0.321 7.155 1.00 0.00 H new ATOM 0 HG3 GLN W 538 5.012 1.234 7.565 1.00 0.00 H new ATOM 0 HE21 GLN W 538 5.998 -1.186 9.166 1.00 0.00 H new ATOM 0 HE22 GLN W 538 4.680 -1.515 10.294 1.00 0.00 H new ATOM 267 N VAL W 539 3.252 3.295 7.145 1.00 0.00 N ATOM 268 CA VAL W 539 3.783 4.652 7.142 1.00 0.00 C ATOM 269 C VAL W 539 5.294 4.643 7.330 1.00 0.00 C ATOM 270 O VAL W 539 5.806 4.071 8.292 1.00 0.00 O ATOM 271 CB VAL W 539 3.143 5.513 8.246 1.00 0.00 C ATOM 272 CG1 VAL W 539 3.635 6.949 8.156 1.00 0.00 C ATOM 273 CG2 VAL W 539 1.625 5.455 8.156 1.00 0.00 C ATOM 0 H VAL W 539 2.845 3.004 8.034 1.00 0.00 H new ATOM 0 HA VAL W 539 3.539 5.087 6.173 1.00 0.00 H new ATOM 0 HB VAL W 539 3.442 5.111 9.214 1.00 0.00 H new ATOM 0 HG11 VAL W 539 3.172 7.542 8.944 1.00 0.00 H new ATOM 0 HG12 VAL W 539 4.718 6.971 8.275 1.00 0.00 H new ATOM 0 HG13 VAL W 539 3.368 7.365 7.184 1.00 0.00 H new ATOM 0 HG21 VAL W 539 1.190 6.070 8.944 1.00 0.00 H new ATOM 0 HG22 VAL W 539 1.304 5.830 7.184 1.00 0.00 H new ATOM 0 HG23 VAL W 539 1.293 4.424 8.275 1.00 0.00 H new ATOM 283 N ALA W 540 6.001 5.273 6.402 1.00 0.00 N ATOM 284 CA ALA W 540 7.453 5.333 6.461 1.00 0.00 C ATOM 285 C ALA W 540 7.923 6.590 7.187 1.00 0.00 C ATOM 286 O ALA W 540 7.341 7.663 7.028 1.00 0.00 O ATOM 287 CB ALA W 540 8.036 5.276 5.055 1.00 0.00 C ATOM 0 H ALA W 540 5.591 5.750 5.599 1.00 0.00 H new ATOM 0 HA ALA W 540 7.809 4.471 7.025 1.00 0.00 H new ATOM 0 HB1 ALA W 540 9.124 5.322 5.110 1.00 0.00 H new ATOM 0 HB2 ALA W 540 7.736 4.345 4.574 1.00 0.00 H new ATOM 0 HB3 ALA W 540 7.666 6.121 4.473 1.00 0.00 H new ATOM 293 N PRO W 541 8.992 6.475 7.995 1.00 0.00 N ATOM 294 CA PRO W 541 9.542 7.609 8.740 1.00 0.00 C ATOM 295 C PRO W 541 9.922 8.759 7.816 1.00 0.00 C ATOM 296 O PRO W 541 9.998 9.911 8.238 1.00 0.00 O ATOM 297 CB PRO W 541 10.788 7.035 9.429 1.00 0.00 C ATOM 298 CG PRO W 541 11.077 5.753 8.722 1.00 0.00 C ATOM 299 CD PRO W 541 9.752 5.241 8.234 1.00 0.00 C ATOM 0 HA PRO W 541 8.819 8.024 9.443 1.00 0.00 H new ATOM 0 HB2 PRO W 541 11.630 7.723 9.355 1.00 0.00 H new ATOM 0 HB3 PRO W 541 10.607 6.866 10.491 1.00 0.00 H new ATOM 0 HG2 PRO W 541 11.764 5.912 7.891 1.00 0.00 H new ATOM 0 HG3 PRO W 541 11.549 5.035 9.393 1.00 0.00 H new ATOM 0 HD2 PRO W 541 9.858 4.649 7.325 1.00 0.00 H new ATOM 0 HD3 PRO W 541 9.267 4.605 8.974 1.00 0.00 H new ATOM 307 N ASN W 542 10.152 8.432 6.547 1.00 0.00 N ATOM 308 CA ASN W 542 10.516 9.431 5.553 1.00 0.00 C ATOM 309 C ASN W 542 9.523 10.588 5.566 1.00 0.00 C ATOM 310 O ASN W 542 9.912 11.755 5.502 1.00 0.00 O ATOM 311 CB ASN W 542 10.564 8.793 4.164 1.00 0.00 C ATOM 312 CG ASN W 542 11.016 9.764 3.094 1.00 0.00 C ATOM 313 OD1 ASN W 542 10.622 9.500 1.853 1.00 0.00 O flip ATOM 314 ND2 ASN W 542 11.711 10.740 3.376 1.00 0.00 N flip ATOM 0 H ASN W 542 10.092 7.480 6.185 1.00 0.00 H new ATOM 0 HA ASN W 542 11.503 9.822 5.799 1.00 0.00 H new ATOM 0 HB2 ASN W 542 11.241 7.939 4.184 1.00 0.00 H new ATOM 0 HB3 ASN W 542 9.575 8.411 3.909 1.00 0.00 H new ATOM 0 HD21 ASN W 542 11.991 10.905 4.343 1.00 0.00 H new ATOM 0 HD22 ASN W 542 12.007 11.384 2.643 1.00 0.00 H new ATOM 321 N GLY W 543 8.238 10.258 5.658 1.00 0.00 N ATOM 322 CA GLY W 543 7.212 11.284 5.684 1.00 0.00 C ATOM 323 C GLY W 543 5.969 10.901 4.904 1.00 0.00 C ATOM 324 O GLY W 543 4.929 11.550 5.030 1.00 0.00 O ATOM 0 H GLY W 543 7.890 9.301 5.715 1.00 0.00 H new ATOM 0 HA2 GLY W 543 6.936 11.488 6.719 1.00 0.00 H new ATOM 0 HA3 GLY W 543 7.620 12.208 5.275 1.00 0.00 H new ATOM 328 N ARG W 544 6.068 9.852 4.094 1.00 0.00 N ATOM 329 CA ARG W 544 4.932 9.405 3.299 1.00 0.00 C ATOM 330 C ARG W 544 4.713 7.905 3.433 1.00 0.00 C ATOM 331 O ARG W 544 5.657 7.144 3.640 1.00 0.00 O ATOM 332 CB ARG W 544 5.132 9.781 1.828 1.00 0.00 C ATOM 333 CG ARG W 544 6.141 8.905 1.100 1.00 0.00 C ATOM 334 CD ARG W 544 7.568 9.224 1.520 1.00 0.00 C ATOM 335 NE ARG W 544 8.406 9.580 0.376 1.00 0.00 N ATOM 336 CZ ARG W 544 8.450 10.797 -0.159 1.00 0.00 C ATOM 337 NH1 ARG W 544 7.713 11.776 0.347 1.00 0.00 N ATOM 338 NH2 ARG W 544 9.235 11.035 -1.201 1.00 0.00 N ATOM 0 H ARG W 544 6.917 9.300 3.972 1.00 0.00 H new ATOM 0 HA ARG W 544 4.042 9.908 3.678 1.00 0.00 H new ATOM 0 HB2 ARG W 544 4.173 9.718 1.313 1.00 0.00 H new ATOM 0 HB3 ARG W 544 5.458 10.819 1.770 1.00 0.00 H new ATOM 0 HG2 ARG W 544 5.927 7.856 1.305 1.00 0.00 H new ATOM 0 HG3 ARG W 544 6.038 9.047 0.024 1.00 0.00 H new ATOM 0 HD2 ARG W 544 7.561 10.047 2.235 1.00 0.00 H new ATOM 0 HD3 ARG W 544 7.998 8.362 2.031 1.00 0.00 H new ATOM 0 HE ARG W 544 8.991 8.853 -0.036 1.00 0.00 H new ATOM 0 HH11 ARG W 544 7.109 11.597 1.150 1.00 0.00 H new ATOM 0 HH12 ARG W 544 7.750 12.708 -0.066 1.00 0.00 H new ATOM 0 HH21 ARG W 544 9.805 10.285 -1.592 1.00 0.00 H new ATOM 0 HH22 ARG W 544 9.269 11.968 -1.611 1.00 0.00 H new ATOM 352 N THR W 545 3.457 7.488 3.307 1.00 0.00 N ATOM 353 CA THR W 545 3.110 6.080 3.402 1.00 0.00 C ATOM 354 C THR W 545 3.568 5.333 2.161 1.00 0.00 C ATOM 355 O THR W 545 3.562 5.881 1.059 1.00 0.00 O ATOM 356 CB THR W 545 1.595 5.873 3.563 1.00 0.00 C ATOM 357 OG1 THR W 545 0.888 7.008 3.048 1.00 0.00 O ATOM 358 CG2 THR W 545 1.224 5.657 5.022 1.00 0.00 C ATOM 0 H THR W 545 2.665 8.108 3.139 1.00 0.00 H new ATOM 0 HA THR W 545 3.616 5.691 4.286 1.00 0.00 H new ATOM 0 HB THR W 545 1.314 4.982 3.001 1.00 0.00 H new ATOM 0 HG1 THR W 545 -0.076 6.868 3.153 1.00 0.00 H new ATOM 0 HG21 THR W 545 0.147 5.513 5.106 1.00 0.00 H new ATOM 0 HG22 THR W 545 1.739 4.774 5.401 1.00 0.00 H new ATOM 0 HG23 THR W 545 1.520 6.529 5.606 1.00 0.00 H new ATOM 366 N PHE W 546 3.960 4.083 2.341 1.00 0.00 N ATOM 367 CA PHE W 546 4.415 3.272 1.227 1.00 0.00 C ATOM 368 C PHE W 546 3.572 2.008 1.094 1.00 0.00 C ATOM 369 O PHE W 546 3.029 1.506 2.078 1.00 0.00 O ATOM 370 CB PHE W 546 5.887 2.913 1.401 1.00 0.00 C ATOM 371 CG PHE W 546 6.202 2.291 2.730 1.00 0.00 C ATOM 372 CD1 PHE W 546 6.261 3.066 3.878 1.00 0.00 C ATOM 373 CD2 PHE W 546 6.440 0.931 2.831 1.00 0.00 C ATOM 374 CE1 PHE W 546 6.554 2.492 5.101 1.00 0.00 C ATOM 375 CE2 PHE W 546 6.733 0.352 4.049 1.00 0.00 C ATOM 376 CZ PHE W 546 6.791 1.134 5.187 1.00 0.00 C ATOM 0 H PHE W 546 3.972 3.610 3.245 1.00 0.00 H new ATOM 0 HA PHE W 546 4.301 3.854 0.312 1.00 0.00 H new ATOM 0 HB2 PHE W 546 6.180 2.224 0.609 1.00 0.00 H new ATOM 0 HB3 PHE W 546 6.489 3.814 1.279 1.00 0.00 H new ATOM 0 HD1 PHE W 546 6.076 4.128 3.816 1.00 0.00 H new ATOM 0 HD2 PHE W 546 6.396 0.315 1.945 1.00 0.00 H new ATOM 0 HE1 PHE W 546 6.598 3.105 5.989 1.00 0.00 H new ATOM 0 HE2 PHE W 546 6.917 -0.710 4.113 1.00 0.00 H new ATOM 0 HZ PHE W 546 7.021 0.684 6.142 1.00 0.00 H new ATOM 386 N PHE W 547 3.461 1.507 -0.129 1.00 0.00 N ATOM 387 CA PHE W 547 2.675 0.306 -0.394 1.00 0.00 C ATOM 388 C PHE W 547 3.558 -0.922 -0.508 1.00 0.00 C ATOM 389 O PHE W 547 4.496 -0.963 -1.304 1.00 0.00 O ATOM 390 CB PHE W 547 1.851 0.478 -1.669 1.00 0.00 C ATOM 391 CG PHE W 547 0.381 0.649 -1.410 1.00 0.00 C ATOM 392 CD1 PHE W 547 -0.107 1.832 -0.879 1.00 0.00 C ATOM 393 CD2 PHE W 547 -0.511 -0.372 -1.695 1.00 0.00 C ATOM 394 CE1 PHE W 547 -1.459 1.994 -0.638 1.00 0.00 C ATOM 395 CE2 PHE W 547 -1.863 -0.216 -1.457 1.00 0.00 C ATOM 396 CZ PHE W 547 -2.338 0.968 -0.927 1.00 0.00 C ATOM 0 H PHE W 547 3.904 1.912 -0.954 1.00 0.00 H new ATOM 0 HA PHE W 547 2.001 0.160 0.450 1.00 0.00 H new ATOM 0 HB2 PHE W 547 2.219 1.345 -2.217 1.00 0.00 H new ATOM 0 HB3 PHE W 547 2.001 -0.391 -2.310 1.00 0.00 H new ATOM 0 HD1 PHE W 547 0.576 2.637 -0.651 1.00 0.00 H new ATOM 0 HD2 PHE W 547 -0.145 -1.301 -2.108 1.00 0.00 H new ATOM 0 HE1 PHE W 547 -1.827 2.921 -0.224 1.00 0.00 H new ATOM 0 HE2 PHE W 547 -2.548 -1.019 -1.685 1.00 0.00 H new ATOM 0 HZ PHE W 547 -3.394 1.091 -0.739 1.00 0.00 H new ATOM 406 N ILE W 548 3.239 -1.925 0.295 1.00 0.00 N ATOM 407 CA ILE W 548 3.984 -3.168 0.296 1.00 0.00 C ATOM 408 C ILE W 548 3.475 -4.100 -0.794 1.00 0.00 C ATOM 409 O ILE W 548 2.285 -4.126 -1.103 1.00 0.00 O ATOM 410 CB ILE W 548 3.892 -3.866 1.666 1.00 0.00 C ATOM 411 CG1 ILE W 548 4.485 -2.963 2.749 1.00 0.00 C ATOM 412 CG2 ILE W 548 4.610 -5.209 1.640 1.00 0.00 C ATOM 413 CD1 ILE W 548 3.489 -2.549 3.808 1.00 0.00 C ATOM 0 H ILE W 548 2.464 -1.899 0.957 1.00 0.00 H new ATOM 0 HA ILE W 548 5.029 -2.929 0.098 1.00 0.00 H new ATOM 0 HB ILE W 548 2.842 -4.051 1.893 1.00 0.00 H new ATOM 0 HG12 ILE W 548 5.316 -3.482 3.227 1.00 0.00 H new ATOM 0 HG13 ILE W 548 4.895 -2.069 2.280 1.00 0.00 H new ATOM 0 HG21 ILE W 548 4.531 -5.683 2.619 1.00 0.00 H new ATOM 0 HG22 ILE W 548 4.153 -5.852 0.888 1.00 0.00 H new ATOM 0 HG23 ILE W 548 5.661 -5.055 1.395 1.00 0.00 H new ATOM 0 HD11 ILE W 548 3.982 -1.911 4.541 1.00 0.00 H new ATOM 0 HD12 ILE W 548 2.669 -2.001 3.343 1.00 0.00 H new ATOM 0 HD13 ILE W 548 3.096 -3.436 4.305 1.00 0.00 H new ATOM 425 N ASP W 549 4.392 -4.855 -1.374 1.00 0.00 N ATOM 426 CA ASP W 549 4.062 -5.792 -2.441 1.00 0.00 C ATOM 427 C ASP W 549 4.490 -7.211 -2.077 1.00 0.00 C ATOM 428 O ASP W 549 5.679 -7.492 -1.936 1.00 0.00 O ATOM 429 CB ASP W 549 4.739 -5.365 -3.743 1.00 0.00 C ATOM 430 CG ASP W 549 4.504 -6.349 -4.872 1.00 0.00 C ATOM 431 OD1 ASP W 549 3.382 -6.362 -5.423 1.00 0.00 O ATOM 432 OD2 ASP W 549 5.439 -7.106 -5.204 1.00 0.00 O ATOM 0 H ASP W 549 5.380 -4.839 -1.123 1.00 0.00 H new ATOM 0 HA ASP W 549 2.980 -5.783 -2.576 1.00 0.00 H new ATOM 0 HB2 ASP W 549 4.366 -4.384 -4.037 1.00 0.00 H new ATOM 0 HB3 ASP W 549 5.811 -5.261 -3.574 1.00 0.00 H new ATOM 437 N HIS W 550 3.513 -8.102 -1.933 1.00 0.00 N ATOM 438 CA HIS W 550 3.795 -9.491 -1.591 1.00 0.00 C ATOM 439 C HIS W 550 4.167 -10.288 -2.835 1.00 0.00 C ATOM 440 O HIS W 550 4.905 -11.270 -2.757 1.00 0.00 O ATOM 441 CB HIS W 550 2.585 -10.128 -0.903 1.00 0.00 C ATOM 442 CG HIS W 550 2.130 -9.386 0.315 1.00 0.00 C ATOM 443 ND1 HIS W 550 1.722 -10.050 1.444 1.00 0.00 N ATOM 444 CD2 HIS W 550 2.039 -8.051 0.526 1.00 0.00 C ATOM 445 CE1 HIS W 550 1.393 -9.113 2.316 1.00 0.00 C ATOM 446 NE2 HIS W 550 1.569 -7.885 1.804 1.00 0.00 N ATOM 0 H HIS W 550 2.522 -7.887 -2.048 1.00 0.00 H new ATOM 0 HA HIS W 550 4.641 -9.506 -0.903 1.00 0.00 H new ATOM 0 HB2 HIS W 550 1.761 -10.183 -1.614 1.00 0.00 H new ATOM 0 HB3 HIS W 550 2.834 -11.152 -0.623 1.00 0.00 H new ATOM 0 HD1 HIS W 550 1.681 -11.060 1.582 1.00 0.00 H new ATOM 0 HD2 HIS W 550 2.288 -7.269 -0.176 1.00 0.00 H new ATOM 0 HE1 HIS W 550 1.029 -9.310 3.313 1.00 0.00 H new ATOM 454 N ALA W 551 3.656 -9.856 -3.983 1.00 0.00 N ATOM 455 CA ALA W 551 3.941 -10.528 -5.244 1.00 0.00 C ATOM 456 C ALA W 551 5.444 -10.687 -5.438 1.00 0.00 C ATOM 457 O ALA W 551 5.911 -11.702 -5.956 1.00 0.00 O ATOM 458 CB ALA W 551 3.332 -9.756 -6.404 1.00 0.00 C ATOM 0 H ALA W 551 3.043 -9.045 -4.066 1.00 0.00 H new ATOM 0 HA ALA W 551 3.493 -11.521 -5.216 1.00 0.00 H new ATOM 0 HB1 ALA W 551 3.553 -10.270 -7.339 1.00 0.00 H new ATOM 0 HB2 ALA W 551 2.252 -9.692 -6.272 1.00 0.00 H new ATOM 0 HB3 ALA W 551 3.754 -8.751 -6.434 1.00 0.00 H new ATOM 464 N SER W 552 6.195 -9.677 -5.014 1.00 0.00 N ATOM 465 CA SER W 552 7.649 -9.697 -5.131 1.00 0.00 C ATOM 466 C SER W 552 8.323 -9.416 -3.785 1.00 0.00 C ATOM 467 O SER W 552 9.551 -9.389 -3.696 1.00 0.00 O ATOM 468 CB SER W 552 8.109 -8.668 -6.164 1.00 0.00 C ATOM 469 OG SER W 552 8.868 -9.283 -7.193 1.00 0.00 O ATOM 0 H SER W 552 5.820 -8.831 -4.585 1.00 0.00 H new ATOM 0 HA SER W 552 7.942 -10.695 -5.456 1.00 0.00 H new ATOM 0 HB2 SER W 552 7.242 -8.169 -6.596 1.00 0.00 H new ATOM 0 HB3 SER W 552 8.708 -7.900 -5.675 1.00 0.00 H new ATOM 0 HG SER W 552 9.149 -8.605 -7.842 1.00 0.00 H new ATOM 475 N ARG W 553 7.522 -9.211 -2.739 1.00 0.00 N ATOM 476 CA ARG W 553 8.057 -8.938 -1.411 1.00 0.00 C ATOM 477 C ARG W 553 8.871 -7.648 -1.402 1.00 0.00 C ATOM 478 O ARG W 553 10.082 -7.672 -1.182 1.00 0.00 O ATOM 479 CB ARG W 553 8.930 -10.102 -0.939 1.00 0.00 C ATOM 480 CG ARG W 553 8.152 -11.383 -0.686 1.00 0.00 C ATOM 481 CD ARG W 553 7.008 -11.155 0.289 1.00 0.00 C ATOM 482 NE ARG W 553 6.840 -12.278 1.208 1.00 0.00 N ATOM 483 CZ ARG W 553 7.710 -12.582 2.164 1.00 0.00 C ATOM 484 NH1 ARG W 553 8.803 -11.848 2.328 1.00 0.00 N ATOM 485 NH2 ARG W 553 7.491 -13.621 2.958 1.00 0.00 N ATOM 0 H ARG W 553 6.503 -9.229 -2.788 1.00 0.00 H new ATOM 0 HA ARG W 553 7.215 -8.821 -0.729 1.00 0.00 H new ATOM 0 HB2 ARG W 553 9.699 -10.295 -1.687 1.00 0.00 H new ATOM 0 HB3 ARG W 553 9.443 -9.812 -0.022 1.00 0.00 H new ATOM 0 HG2 ARG W 553 7.758 -11.763 -1.629 1.00 0.00 H new ATOM 0 HG3 ARG W 553 8.823 -12.145 -0.290 1.00 0.00 H new ATOM 0 HD2 ARG W 553 7.194 -10.245 0.859 1.00 0.00 H new ATOM 0 HD3 ARG W 553 6.083 -11.000 -0.267 1.00 0.00 H new ATOM 0 HE ARG W 553 6.009 -12.861 1.110 1.00 0.00 H new ATOM 0 HH11 ARG W 553 8.976 -11.048 1.719 1.00 0.00 H new ATOM 0 HH12 ARG W 553 9.470 -12.083 3.063 1.00 0.00 H new ATOM 0 HH21 ARG W 553 6.653 -14.189 2.835 1.00 0.00 H new ATOM 0 HH22 ARG W 553 8.161 -13.852 3.692 1.00 0.00 H new ATOM 499 N ARG W 554 8.204 -6.522 -1.642 1.00 0.00 N ATOM 500 CA ARG W 554 8.884 -5.232 -1.659 1.00 0.00 C ATOM 501 C ARG W 554 7.928 -4.096 -1.313 1.00 0.00 C ATOM 502 O ARG W 554 6.821 -4.329 -0.831 1.00 0.00 O ATOM 503 CB ARG W 554 9.512 -4.986 -3.028 1.00 0.00 C ATOM 504 CG ARG W 554 10.328 -6.160 -3.542 1.00 0.00 C ATOM 505 CD ARG W 554 11.070 -5.808 -4.823 1.00 0.00 C ATOM 506 NE ARG W 554 11.970 -4.673 -4.641 1.00 0.00 N ATOM 507 CZ ARG W 554 13.154 -4.759 -4.042 1.00 0.00 C ATOM 508 NH1 ARG W 554 13.572 -5.922 -3.561 1.00 0.00 N ATOM 509 NH2 ARG W 554 13.919 -3.684 -3.922 1.00 0.00 N ATOM 0 H ARG W 554 7.202 -6.477 -1.826 1.00 0.00 H new ATOM 0 HA ARG W 554 9.668 -5.257 -0.902 1.00 0.00 H new ATOM 0 HB2 ARG W 554 8.723 -4.761 -3.745 1.00 0.00 H new ATOM 0 HB3 ARG W 554 10.152 -4.106 -2.972 1.00 0.00 H new ATOM 0 HG2 ARG W 554 11.043 -6.468 -2.779 1.00 0.00 H new ATOM 0 HG3 ARG W 554 9.670 -7.010 -3.724 1.00 0.00 H new ATOM 0 HD2 ARG W 554 11.641 -6.673 -5.160 1.00 0.00 H new ATOM 0 HD3 ARG W 554 10.349 -5.577 -5.607 1.00 0.00 H new ATOM 0 HE ARG W 554 11.674 -3.763 -4.993 1.00 0.00 H new ATOM 0 HH11 ARG W 554 12.985 -6.751 -3.650 1.00 0.00 H new ATOM 0 HH12 ARG W 554 14.480 -5.987 -3.102 1.00 0.00 H new ATOM 0 HH21 ARG W 554 13.600 -2.788 -4.290 1.00 0.00 H new ATOM 0 HH22 ARG W 554 14.827 -3.753 -3.462 1.00 0.00 H new ATOM 523 N THR W 555 8.364 -2.863 -1.557 1.00 0.00 N ATOM 524 CA THR W 555 7.546 -1.692 -1.265 1.00 0.00 C ATOM 525 C THR W 555 7.727 -0.613 -2.327 1.00 0.00 C ATOM 526 O THR W 555 8.525 -0.766 -3.252 1.00 0.00 O ATOM 527 CB THR W 555 7.892 -1.097 0.111 1.00 0.00 C ATOM 528 OG1 THR W 555 9.277 -0.735 0.156 1.00 0.00 O ATOM 529 CG2 THR W 555 7.588 -2.091 1.222 1.00 0.00 C ATOM 0 H THR W 555 9.278 -2.650 -1.956 1.00 0.00 H new ATOM 0 HA THR W 555 6.508 -2.026 -1.262 1.00 0.00 H new ATOM 0 HB THR W 555 7.280 -0.208 0.261 1.00 0.00 H new ATOM 0 HG1 THR W 555 9.744 -1.131 -0.609 1.00 0.00 H new ATOM 0 HG21 THR W 555 7.841 -1.648 2.185 1.00 0.00 H new ATOM 0 HG22 THR W 555 6.528 -2.342 1.205 1.00 0.00 H new ATOM 0 HG23 THR W 555 8.178 -2.995 1.072 1.00 0.00 H new ATOM 537 N THR W 556 6.982 0.480 -2.187 1.00 0.00 N ATOM 538 CA THR W 556 7.062 1.586 -3.133 1.00 0.00 C ATOM 539 C THR W 556 6.298 2.806 -2.628 1.00 0.00 C ATOM 540 O THR W 556 5.485 2.709 -1.710 1.00 0.00 O ATOM 541 CB THR W 556 6.503 1.191 -4.512 1.00 0.00 C ATOM 542 OG1 THR W 556 6.231 2.365 -5.285 1.00 0.00 O ATOM 543 CG2 THR W 556 5.231 0.369 -4.365 1.00 0.00 C ATOM 0 H THR W 556 6.316 0.622 -1.427 1.00 0.00 H new ATOM 0 HA THR W 556 8.119 1.834 -3.230 1.00 0.00 H new ATOM 0 HB THR W 556 7.252 0.585 -5.023 1.00 0.00 H new ATOM 0 HG1 THR W 556 5.877 2.105 -6.161 1.00 0.00 H new ATOM 0 HG21 THR W 556 4.854 0.102 -5.352 1.00 0.00 H new ATOM 0 HG22 THR W 556 5.447 -0.538 -3.801 1.00 0.00 H new ATOM 0 HG23 THR W 556 4.479 0.954 -3.836 1.00 0.00 H new ATOM 551 N TRP W 557 6.565 3.954 -3.243 1.00 0.00 N ATOM 552 CA TRP W 557 5.905 5.201 -2.867 1.00 0.00 C ATOM 553 C TRP W 557 4.617 5.410 -3.655 1.00 0.00 C ATOM 554 O TRP W 557 4.122 6.532 -3.752 1.00 0.00 O ATOM 555 CB TRP W 557 6.830 6.389 -3.119 1.00 0.00 C ATOM 556 CG TRP W 557 8.051 6.392 -2.259 1.00 0.00 C ATOM 557 CD1 TRP W 557 9.344 6.521 -2.671 1.00 0.00 C ATOM 558 CD2 TRP W 557 8.089 6.264 -0.840 1.00 0.00 C ATOM 559 NE1 TRP W 557 10.188 6.484 -1.587 1.00 0.00 N ATOM 560 CE2 TRP W 557 9.439 6.327 -0.450 1.00 0.00 C ATOM 561 CE3 TRP W 557 7.110 6.105 0.140 1.00 0.00 C ATOM 562 CZ2 TRP W 557 9.834 6.235 0.881 1.00 0.00 C ATOM 563 CZ3 TRP W 557 7.502 6.013 1.462 1.00 0.00 C ATOM 564 CH2 TRP W 557 8.853 6.080 1.823 1.00 0.00 C ATOM 0 H TRP W 557 7.236 4.047 -4.006 1.00 0.00 H new ATOM 0 HA TRP W 557 5.665 5.132 -1.806 1.00 0.00 H new ATOM 0 HB2 TRP W 557 7.134 6.386 -4.166 1.00 0.00 H new ATOM 0 HB3 TRP W 557 6.275 7.312 -2.951 1.00 0.00 H new ATOM 0 HD1 TRP W 557 9.659 6.635 -3.698 1.00 0.00 H new ATOM 0 HE1 TRP W 557 11.204 6.561 -1.623 1.00 0.00 H new ATOM 0 HE3 TRP W 557 6.065 6.055 -0.129 1.00 0.00 H new ATOM 0 HZ2 TRP W 557 10.876 6.284 1.161 1.00 0.00 H new ATOM 0 HZ3 TRP W 557 6.753 5.887 2.230 1.00 0.00 H new ATOM 0 HH2 TRP W 557 9.127 6.008 2.865 1.00 0.00 H new ATOM 575 N ILE W 558 4.085 4.343 -4.234 1.00 0.00 N ATOM 576 CA ILE W 558 2.868 4.449 -5.025 1.00 0.00 C ATOM 577 C ILE W 558 1.854 3.371 -4.664 1.00 0.00 C ATOM 578 O ILE W 558 2.215 2.281 -4.220 1.00 0.00 O ATOM 579 CB ILE W 558 3.192 4.362 -6.525 1.00 0.00 C ATOM 580 CG1 ILE W 558 4.332 5.331 -6.865 1.00 0.00 C ATOM 581 CG2 ILE W 558 1.950 4.647 -7.361 1.00 0.00 C ATOM 582 CD1 ILE W 558 3.890 6.771 -7.032 1.00 0.00 C ATOM 0 H ILE W 558 4.473 3.402 -4.172 1.00 0.00 H new ATOM 0 HA ILE W 558 2.426 5.419 -4.799 1.00 0.00 H new ATOM 0 HB ILE W 558 3.519 3.350 -6.763 1.00 0.00 H new ATOM 0 HG12 ILE W 558 5.084 5.282 -6.077 1.00 0.00 H new ATOM 0 HG13 ILE W 558 4.813 5.001 -7.786 1.00 0.00 H new ATOM 0 HG21 ILE W 558 2.201 4.580 -8.420 1.00 0.00 H new ATOM 0 HG22 ILE W 558 1.177 3.916 -7.125 1.00 0.00 H new ATOM 0 HG23 ILE W 558 1.583 5.649 -7.137 1.00 0.00 H new ATOM 0 HD11 ILE W 558 4.754 7.391 -7.271 1.00 0.00 H new ATOM 0 HD12 ILE W 558 3.162 6.837 -7.840 1.00 0.00 H new ATOM 0 HD13 ILE W 558 3.436 7.122 -6.105 1.00 0.00 H new ATOM 594 N ASP W 559 0.579 3.688 -4.863 1.00 0.00 N ATOM 595 CA ASP W 559 -0.503 2.757 -4.567 1.00 0.00 C ATOM 596 C ASP W 559 -0.999 2.088 -5.850 1.00 0.00 C ATOM 597 O ASP W 559 -1.608 2.740 -6.696 1.00 0.00 O ATOM 598 CB ASP W 559 -1.662 3.491 -3.882 1.00 0.00 C ATOM 599 CG ASP W 559 -1.190 4.588 -2.946 1.00 0.00 C ATOM 600 OD1 ASP W 559 -0.638 5.593 -3.441 1.00 0.00 O ATOM 601 OD2 ASP W 559 -1.375 4.443 -1.720 1.00 0.00 O ATOM 0 H ASP W 559 0.269 4.588 -5.230 1.00 0.00 H new ATOM 0 HA ASP W 559 -0.121 1.989 -3.895 1.00 0.00 H new ATOM 0 HB2 ASP W 559 -2.313 3.923 -4.642 1.00 0.00 H new ATOM 0 HB3 ASP W 559 -2.260 2.773 -3.321 1.00 0.00 H new ATOM 606 N PRO W 560 -0.738 0.778 -6.023 1.00 0.00 N ATOM 607 CA PRO W 560 -1.160 0.053 -7.222 1.00 0.00 C ATOM 608 C PRO W 560 -2.641 0.242 -7.524 1.00 0.00 C ATOM 609 O PRO W 560 -3.056 0.207 -8.683 1.00 0.00 O ATOM 610 CB PRO W 560 -0.863 -1.419 -6.911 1.00 0.00 C ATOM 611 CG PRO W 560 -0.411 -1.475 -5.486 1.00 0.00 C ATOM 612 CD PRO W 560 -0.011 -0.083 -5.084 1.00 0.00 C ATOM 0 HA PRO W 560 -0.635 0.418 -8.105 1.00 0.00 H new ATOM 0 HB2 PRO W 560 -1.751 -2.033 -7.060 1.00 0.00 H new ATOM 0 HB3 PRO W 560 -0.092 -1.807 -7.577 1.00 0.00 H new ATOM 0 HG2 PRO W 560 -1.211 -1.844 -4.844 1.00 0.00 H new ATOM 0 HG3 PRO W 560 0.428 -2.162 -5.377 1.00 0.00 H new ATOM 0 HD2 PRO W 560 -0.287 0.130 -4.051 1.00 0.00 H new ATOM 0 HD3 PRO W 560 1.067 0.061 -5.162 1.00 0.00 H new ATOM 620 N ARG W 561 -3.434 0.447 -6.480 1.00 0.00 N ATOM 621 CA ARG W 561 -4.868 0.645 -6.646 1.00 0.00 C ATOM 622 C ARG W 561 -5.163 1.971 -7.344 1.00 0.00 C ATOM 623 O ARG W 561 -6.253 2.168 -7.882 1.00 0.00 O ATOM 624 CB ARG W 561 -5.575 0.600 -5.292 1.00 0.00 C ATOM 625 CG ARG W 561 -5.171 1.723 -4.352 1.00 0.00 C ATOM 626 CD ARG W 561 -6.357 2.212 -3.537 1.00 0.00 C ATOM 627 NE ARG W 561 -6.197 1.931 -2.115 1.00 0.00 N ATOM 628 CZ ARG W 561 -6.885 2.549 -1.162 1.00 0.00 C ATOM 629 NH1 ARG W 561 -7.773 3.482 -1.482 1.00 0.00 N ATOM 630 NH2 ARG W 561 -6.685 2.237 0.111 1.00 0.00 N ATOM 0 H ARG W 561 -3.110 0.480 -5.513 1.00 0.00 H new ATOM 0 HA ARG W 561 -5.246 -0.164 -7.271 1.00 0.00 H new ATOM 0 HB2 ARG W 561 -6.652 0.644 -5.453 1.00 0.00 H new ATOM 0 HB3 ARG W 561 -5.363 -0.356 -4.813 1.00 0.00 H new ATOM 0 HG2 ARG W 561 -4.385 1.375 -3.682 1.00 0.00 H new ATOM 0 HG3 ARG W 561 -4.756 2.551 -4.927 1.00 0.00 H new ATOM 0 HD2 ARG W 561 -6.479 3.285 -3.683 1.00 0.00 H new ATOM 0 HD3 ARG W 561 -7.268 1.735 -3.900 1.00 0.00 H new ATOM 0 HE ARG W 561 -5.520 1.221 -1.837 1.00 0.00 H new ATOM 0 HH11 ARG W 561 -7.927 3.725 -2.461 1.00 0.00 H new ATOM 0 HH12 ARG W 561 -8.301 3.956 -0.749 1.00 0.00 H new ATOM 0 HH21 ARG W 561 -6.002 1.521 0.359 1.00 0.00 H new ATOM 0 HH22 ARG W 561 -7.214 2.713 0.842 1.00 0.00 H new ATOM 644 N ASN W 562 -4.189 2.878 -7.335 1.00 0.00 N ATOM 645 CA ASN W 562 -4.356 4.180 -7.971 1.00 0.00 C ATOM 646 C ASN W 562 -3.175 4.492 -8.886 1.00 0.00 C ATOM 647 O ASN W 562 -3.326 4.577 -10.104 1.00 0.00 O ATOM 648 CB ASN W 562 -4.499 5.285 -6.918 1.00 0.00 C ATOM 649 CG ASN W 562 -5.214 4.815 -5.665 1.00 0.00 C ATOM 650 OD1 ASN W 562 -6.340 4.322 -5.726 1.00 0.00 O ATOM 651 ND2 ASN W 562 -4.559 4.965 -4.519 1.00 0.00 N ATOM 0 H ASN W 562 -3.280 2.735 -6.896 1.00 0.00 H new ATOM 0 HA ASN W 562 -5.266 4.143 -8.570 1.00 0.00 H new ATOM 0 HB2 ASN W 562 -3.509 5.654 -6.649 1.00 0.00 H new ATOM 0 HB3 ASN W 562 -5.046 6.123 -7.350 1.00 0.00 H new ATOM 0 HD21 ASN W 562 -4.988 4.666 -3.643 1.00 0.00 H new ATOM 0 HD22 ASN W 562 -3.627 5.379 -4.515 1.00 0.00 H new ATOM 658 N GLY W 563 -2.001 4.662 -8.288 1.00 0.00 N ATOM 659 CA GLY W 563 -0.810 4.966 -9.058 1.00 0.00 C ATOM 660 C GLY W 563 -0.268 6.349 -8.760 1.00 0.00 C ATOM 661 O GLY W 563 0.259 7.022 -9.646 1.00 0.00 O ATOM 0 H GLY W 563 -1.853 4.594 -7.281 1.00 0.00 H new ATOM 0 HA2 GLY W 563 -0.042 4.223 -8.843 1.00 0.00 H new ATOM 0 HA3 GLY W 563 -1.038 4.889 -10.121 1.00 0.00 H new ATOM 727 N GLY P 228 14.428 6.685 1.333 1.00 0.00 N ATOM 728 CA GLY P 228 13.880 6.382 2.641 1.00 0.00 C ATOM 729 C GLY P 228 12.674 5.467 2.572 1.00 0.00 C ATOM 730 O GLY P 228 11.801 5.520 3.436 1.00 0.00 O ATOM 0 HA2 GLY P 228 14.651 5.915 3.254 1.00 0.00 H new ATOM 0 HA3 GLY P 228 13.598 7.311 3.136 1.00 0.00 H new ATOM 734 N LEU P 229 12.626 4.626 1.542 1.00 0.00 N ATOM 735 CA LEU P 229 11.515 3.694 1.367 1.00 0.00 C ATOM 736 C LEU P 229 11.815 2.361 2.054 1.00 0.00 C ATOM 737 O LEU P 229 12.662 1.597 1.591 1.00 0.00 O ATOM 738 CB LEU P 229 11.246 3.460 -0.123 1.00 0.00 C ATOM 739 CG LEU P 229 10.221 2.368 -0.435 1.00 0.00 C ATOM 740 CD1 LEU P 229 8.858 2.982 -0.716 1.00 0.00 C ATOM 741 CD2 LEU P 229 10.682 1.527 -1.616 1.00 0.00 C ATOM 0 H LEU P 229 13.342 4.571 0.817 1.00 0.00 H new ATOM 0 HA LEU P 229 10.628 4.132 1.825 1.00 0.00 H new ATOM 0 HB2 LEU P 229 10.903 4.395 -0.565 1.00 0.00 H new ATOM 0 HB3 LEU P 229 12.187 3.203 -0.610 1.00 0.00 H new ATOM 0 HG LEU P 229 10.132 1.718 0.436 1.00 0.00 H new ATOM 0 HD11 LEU P 229 8.141 2.191 -0.936 1.00 0.00 H new ATOM 0 HD12 LEU P 229 8.524 3.542 0.158 1.00 0.00 H new ATOM 0 HD13 LEU P 229 8.931 3.654 -1.571 1.00 0.00 H new ATOM 0 HD21 LEU P 229 9.941 0.755 -1.824 1.00 0.00 H new ATOM 0 HD22 LEU P 229 10.799 2.164 -2.493 1.00 0.00 H new ATOM 0 HD23 LEU P 229 11.637 1.059 -1.378 1.00 0.00 H new ATOM 753 N PRO P 230 11.127 2.059 3.171 1.00 0.00 N ATOM 754 CA PRO P 230 11.333 0.811 3.912 1.00 0.00 C ATOM 755 C PRO P 230 10.847 -0.402 3.131 1.00 0.00 C ATOM 756 O PRO P 230 9.647 -0.667 3.057 1.00 0.00 O ATOM 757 CB PRO P 230 10.496 0.993 5.188 1.00 0.00 C ATOM 758 CG PRO P 230 10.153 2.444 5.233 1.00 0.00 C ATOM 759 CD PRO P 230 10.100 2.896 3.804 1.00 0.00 C ATOM 0 HA PRO P 230 12.389 0.629 4.110 1.00 0.00 H new ATOM 0 HB2 PRO P 230 9.597 0.377 5.159 1.00 0.00 H new ATOM 0 HB3 PRO P 230 11.058 0.695 6.073 1.00 0.00 H new ATOM 0 HG2 PRO P 230 9.196 2.604 5.730 1.00 0.00 H new ATOM 0 HG3 PRO P 230 10.901 3.005 5.793 1.00 0.00 H new ATOM 0 HD2 PRO P 230 9.116 2.735 3.363 1.00 0.00 H new ATOM 0 HD3 PRO P 230 10.324 3.958 3.705 1.00 0.00 H new ATOM 767 N SER P 231 11.787 -1.135 2.547 1.00 0.00 N ATOM 768 CA SER P 231 11.453 -2.319 1.768 1.00 0.00 C ATOM 769 C SER P 231 10.584 -3.272 2.576 1.00 0.00 C ATOM 770 O SER P 231 10.526 -3.191 3.802 1.00 0.00 O ATOM 771 CB SER P 231 12.725 -3.032 1.310 1.00 0.00 C ATOM 772 OG SER P 231 13.619 -2.129 0.680 1.00 0.00 O ATOM 0 H SER P 231 12.785 -0.930 2.598 1.00 0.00 H new ATOM 0 HA SER P 231 10.891 -1.999 0.891 1.00 0.00 H new ATOM 0 HB2 SER P 231 13.215 -3.495 2.167 1.00 0.00 H new ATOM 0 HB3 SER P 231 12.467 -3.834 0.619 1.00 0.00 H new ATOM 0 HG SER P 231 14.425 -2.610 0.398 1.00 0.00 H new