USER MOD reduce.3.24.130724 H: found=0, std=0, add=318, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 316 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: W 479 ASN : amide:sc= -1.19 K(o=-1.9,f=-8.5!) USER MOD Set 1.2: W 481 ASN :FLIP amide:sc= -0.744 F(o=-3.5!,f=-1.9) USER MOD Single : B 617 ASN : amide:sc= -1.39 K(o=-1.4,f=-2.8!) USER MOD Single : B 618 TYR OH : rot 180:sc= 0 USER MOD Single : B 620 SER OG : rot 180:sc= 0 USER MOD Single : W 469 THR OG1 : rot 180:sc= 0.0433 USER MOD Single : W 470 HIS : no HD1:sc= -4.75 X(o=-4.8,f=-4.9) USER MOD Single : W 471 THR OG1 : rot 91:sc= 0.0337 USER MOD Single : W 480 HIS : no HD1:sc= 0 X(o=0,f=-0.0074) USER MOD Single : W 483 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : W 484 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : W 485 THR OG1 : rot 177:sc=-0.00942 USER MOD Single : W 486 GLN :FLIP amide:sc= -0.687 F(o=-1.3!,f=-0.69) USER MOD ----------------------------------------------------------------- ATOM 126 N PRO W 460 -3.158 -11.764 -7.605 1.00 0.00 N ATOM 127 CA PRO W 460 -3.378 -10.320 -7.469 1.00 0.00 C ATOM 128 C PRO W 460 -3.154 -9.831 -6.042 1.00 0.00 C ATOM 129 O PRO W 460 -4.077 -9.339 -5.391 1.00 0.00 O ATOM 130 CB PRO W 460 -4.844 -10.139 -7.874 1.00 0.00 C ATOM 131 CG PRO W 460 -5.472 -11.468 -7.637 1.00 0.00 C ATOM 132 CD PRO W 460 -4.404 -12.485 -7.919 1.00 0.00 C ATOM 0 HA PRO W 460 -2.682 -9.745 -8.079 1.00 0.00 H new ATOM 0 HB2 PRO W 460 -5.325 -9.363 -7.280 1.00 0.00 H new ATOM 0 HB3 PRO W 460 -4.932 -9.841 -8.919 1.00 0.00 H new ATOM 0 HG2 PRO W 460 -5.831 -11.553 -6.611 1.00 0.00 H new ATOM 0 HG3 PRO W 460 -6.333 -11.615 -8.289 1.00 0.00 H new ATOM 0 HD2 PRO W 460 -4.521 -13.374 -7.299 1.00 0.00 H new ATOM 0 HD3 PRO W 460 -4.427 -12.815 -8.958 1.00 0.00 H new ATOM 140 N LEU W 461 -1.922 -9.966 -5.560 1.00 0.00 N ATOM 141 CA LEU W 461 -1.576 -9.535 -4.210 1.00 0.00 C ATOM 142 C LEU W 461 -2.427 -10.255 -3.169 1.00 0.00 C ATOM 143 O LEU W 461 -3.387 -10.947 -3.510 1.00 0.00 O ATOM 144 CB LEU W 461 -1.756 -8.022 -4.076 1.00 0.00 C ATOM 145 CG LEU W 461 -1.477 -7.224 -5.351 1.00 0.00 C ATOM 146 CD1 LEU W 461 -2.065 -5.826 -5.246 1.00 0.00 C ATOM 147 CD2 LEU W 461 0.018 -7.156 -5.619 1.00 0.00 C ATOM 0 H LEU W 461 -1.147 -10.371 -6.085 1.00 0.00 H new ATOM 0 HA LEU W 461 -0.531 -9.789 -4.032 1.00 0.00 H new ATOM 0 HB2 LEU W 461 -2.778 -7.820 -3.755 1.00 0.00 H new ATOM 0 HB3 LEU W 461 -1.096 -7.661 -3.287 1.00 0.00 H new ATOM 0 HG LEU W 461 -1.954 -7.734 -6.188 1.00 0.00 H new ATOM 0 HD11 LEU W 461 -1.856 -5.274 -6.162 1.00 0.00 H new ATOM 0 HD12 LEU W 461 -3.143 -5.895 -5.101 1.00 0.00 H new ATOM 0 HD13 LEU W 461 -1.618 -5.306 -4.399 1.00 0.00 H new ATOM 0 HD21 LEU W 461 0.199 -6.585 -6.530 1.00 0.00 H new ATOM 0 HD22 LEU W 461 0.516 -6.669 -4.780 1.00 0.00 H new ATOM 0 HD23 LEU W 461 0.412 -8.165 -5.739 1.00 0.00 H new ATOM 159 N PRO W 462 -2.082 -10.107 -1.878 1.00 0.00 N ATOM 160 CA PRO W 462 -2.811 -10.751 -0.780 1.00 0.00 C ATOM 161 C PRO W 462 -4.201 -10.159 -0.570 1.00 0.00 C ATOM 162 O PRO W 462 -4.587 -9.201 -1.239 1.00 0.00 O ATOM 163 CB PRO W 462 -1.938 -10.479 0.454 1.00 0.00 C ATOM 164 CG PRO W 462 -0.633 -9.992 -0.080 1.00 0.00 C ATOM 165 CD PRO W 462 -0.953 -9.311 -1.377 1.00 0.00 C ATOM 0 HA PRO W 462 -2.973 -11.810 -0.983 1.00 0.00 H new ATOM 0 HB2 PRO W 462 -2.398 -9.735 1.104 1.00 0.00 H new ATOM 0 HB3 PRO W 462 -1.806 -11.383 1.048 1.00 0.00 H new ATOM 0 HG2 PRO W 462 -0.158 -9.302 0.617 1.00 0.00 H new ATOM 0 HG3 PRO W 462 0.060 -10.819 -0.233 1.00 0.00 H new ATOM 0 HD2 PRO W 462 -1.225 -8.266 -1.231 1.00 0.00 H new ATOM 0 HD3 PRO W 462 -0.107 -9.327 -2.064 1.00 0.00 H new ATOM 173 N PRO W 463 -4.965 -10.721 0.382 1.00 0.00 N ATOM 174 CA PRO W 463 -6.312 -10.247 0.703 1.00 0.00 C ATOM 175 C PRO W 463 -6.276 -8.884 1.381 1.00 0.00 C ATOM 176 O PRO W 463 -5.680 -8.727 2.447 1.00 0.00 O ATOM 177 CB PRO W 463 -6.864 -11.308 1.667 1.00 0.00 C ATOM 178 CG PRO W 463 -5.887 -12.438 1.641 1.00 0.00 C ATOM 179 CD PRO W 463 -4.570 -11.850 1.230 1.00 0.00 C ATOM 0 HA PRO W 463 -6.924 -10.122 -0.190 1.00 0.00 H new ATOM 0 HB2 PRO W 463 -6.966 -10.904 2.674 1.00 0.00 H new ATOM 0 HB3 PRO W 463 -7.854 -11.641 1.355 1.00 0.00 H new ATOM 0 HG2 PRO W 463 -5.813 -12.910 2.621 1.00 0.00 H new ATOM 0 HG3 PRO W 463 -6.204 -13.209 0.939 1.00 0.00 H new ATOM 0 HD2 PRO W 463 -3.987 -11.524 2.091 1.00 0.00 H new ATOM 0 HD3 PRO W 463 -3.959 -12.570 0.685 1.00 0.00 H new ATOM 187 N GLY W 464 -6.905 -7.896 0.756 1.00 0.00 N ATOM 188 CA GLY W 464 -6.916 -6.561 1.318 1.00 0.00 C ATOM 189 C GLY W 464 -5.651 -5.796 0.987 1.00 0.00 C ATOM 190 O GLY W 464 -5.093 -5.102 1.837 1.00 0.00 O ATOM 0 H GLY W 464 -7.406 -7.996 -0.127 1.00 0.00 H new ATOM 0 HA2 GLY W 464 -7.780 -6.015 0.939 1.00 0.00 H new ATOM 0 HA3 GLY W 464 -7.029 -6.624 2.400 1.00 0.00 H new ATOM 194 N TRP W 465 -5.194 -5.930 -0.255 1.00 0.00 N ATOM 195 CA TRP W 465 -3.981 -5.254 -0.705 1.00 0.00 C ATOM 196 C TRP W 465 -4.142 -4.732 -2.130 1.00 0.00 C ATOM 197 O TRP W 465 -5.061 -5.126 -2.848 1.00 0.00 O ATOM 198 CB TRP W 465 -2.791 -6.211 -0.637 1.00 0.00 C ATOM 199 CG TRP W 465 -2.206 -6.339 0.728 1.00 0.00 C ATOM 200 CD1 TRP W 465 -2.595 -7.199 1.714 1.00 0.00 C ATOM 201 CD2 TRP W 465 -1.117 -5.581 1.257 1.00 0.00 C ATOM 202 NE1 TRP W 465 -1.811 -7.022 2.825 1.00 0.00 N ATOM 203 CE2 TRP W 465 -0.895 -6.034 2.568 1.00 0.00 C ATOM 204 CE3 TRP W 465 -0.306 -4.564 0.746 1.00 0.00 C ATOM 205 CZ2 TRP W 465 0.103 -5.506 3.375 1.00 0.00 C ATOM 206 CZ3 TRP W 465 0.687 -4.038 1.552 1.00 0.00 C ATOM 207 CH2 TRP W 465 0.884 -4.512 2.854 1.00 0.00 C ATOM 0 H TRP W 465 -5.646 -6.501 -0.969 1.00 0.00 H new ATOM 0 HA TRP W 465 -3.802 -4.405 -0.045 1.00 0.00 H new ATOM 0 HB2 TRP W 465 -3.107 -7.196 -0.982 1.00 0.00 H new ATOM 0 HB3 TRP W 465 -2.018 -5.866 -1.324 1.00 0.00 H new ATOM 0 HD1 TRP W 465 -3.401 -7.913 1.631 1.00 0.00 H new ATOM 0 HE1 TRP W 465 -1.895 -7.540 3.699 1.00 0.00 H new ATOM 0 HE3 TRP W 465 -0.452 -4.196 -0.259 1.00 0.00 H new ATOM 0 HZ2 TRP W 465 0.258 -5.868 4.381 1.00 0.00 H new ATOM 0 HZ3 TRP W 465 1.320 -3.250 1.171 1.00 0.00 H new ATOM 0 HH2 TRP W 465 1.669 -4.084 3.460 1.00 0.00 H new ATOM 218 N GLU W 466 -3.244 -3.836 -2.527 1.00 0.00 N ATOM 219 CA GLU W 466 -3.283 -3.248 -3.861 1.00 0.00 C ATOM 220 C GLU W 466 -1.887 -2.844 -4.326 1.00 0.00 C ATOM 221 O GLU W 466 -1.042 -2.455 -3.521 1.00 0.00 O ATOM 222 CB GLU W 466 -4.201 -2.025 -3.868 1.00 0.00 C ATOM 223 CG GLU W 466 -5.536 -2.272 -4.550 1.00 0.00 C ATOM 224 CD GLU W 466 -6.226 -0.986 -4.963 1.00 0.00 C ATOM 225 OE1 GLU W 466 -5.532 -0.071 -5.452 1.00 0.00 O ATOM 226 OE2 GLU W 466 -7.461 -0.897 -4.797 1.00 0.00 O ATOM 0 H GLU W 466 -2.479 -3.501 -1.942 1.00 0.00 H new ATOM 0 HA GLU W 466 -3.671 -3.999 -4.549 1.00 0.00 H new ATOM 0 HB2 GLU W 466 -4.380 -1.709 -2.840 1.00 0.00 H new ATOM 0 HB3 GLU W 466 -3.692 -1.202 -4.370 1.00 0.00 H new ATOM 0 HG2 GLU W 466 -5.380 -2.896 -5.430 1.00 0.00 H new ATOM 0 HG3 GLU W 466 -6.187 -2.829 -3.876 1.00 0.00 H new ATOM 233 N GLU W 467 -1.653 -2.933 -5.631 1.00 0.00 N ATOM 234 CA GLU W 467 -0.361 -2.567 -6.201 1.00 0.00 C ATOM 235 C GLU W 467 -0.383 -1.128 -6.710 1.00 0.00 C ATOM 236 O GLU W 467 -0.921 -0.848 -7.781 1.00 0.00 O ATOM 237 CB GLU W 467 0.004 -3.516 -7.344 1.00 0.00 C ATOM 238 CG GLU W 467 -0.939 -3.423 -8.534 1.00 0.00 C ATOM 239 CD GLU W 467 -0.937 -4.680 -9.380 1.00 0.00 C ATOM 240 OE1 GLU W 467 -0.830 -5.783 -8.805 1.00 0.00 O ATOM 241 OE2 GLU W 467 -1.043 -4.562 -10.619 1.00 0.00 O ATOM 0 H GLU W 467 -2.340 -3.255 -6.313 1.00 0.00 H new ATOM 0 HA GLU W 467 0.391 -2.648 -5.416 1.00 0.00 H new ATOM 0 HB2 GLU W 467 1.019 -3.298 -7.677 1.00 0.00 H new ATOM 0 HB3 GLU W 467 0.004 -4.540 -6.970 1.00 0.00 H new ATOM 0 HG2 GLU W 467 -1.951 -3.232 -8.177 1.00 0.00 H new ATOM 0 HG3 GLU W 467 -0.654 -2.573 -9.153 1.00 0.00 H new ATOM 248 N ARG W 468 0.207 -0.220 -5.939 1.00 0.00 N ATOM 249 CA ARG W 468 0.252 1.189 -6.318 1.00 0.00 C ATOM 250 C ARG W 468 1.616 1.550 -6.895 1.00 0.00 C ATOM 251 O ARG W 468 2.639 1.005 -6.481 1.00 0.00 O ATOM 252 CB ARG W 468 -0.059 2.075 -5.111 1.00 0.00 C ATOM 253 CG ARG W 468 -1.495 2.569 -5.070 1.00 0.00 C ATOM 254 CD ARG W 468 -1.738 3.661 -6.099 1.00 0.00 C ATOM 255 NE ARG W 468 -1.974 3.114 -7.432 1.00 0.00 N ATOM 256 CZ ARG W 468 -3.104 2.516 -7.795 1.00 0.00 C ATOM 257 NH1 ARG W 468 -4.099 2.391 -6.927 1.00 0.00 N ATOM 258 NH2 ARG W 468 -3.241 2.044 -9.026 1.00 0.00 N ATOM 0 H ARG W 468 0.660 -0.433 -5.050 1.00 0.00 H new ATOM 0 HA ARG W 468 -0.504 1.359 -7.085 1.00 0.00 H new ATOM 0 HB2 ARG W 468 0.150 1.517 -4.198 1.00 0.00 H new ATOM 0 HB3 ARG W 468 0.611 2.934 -5.120 1.00 0.00 H new ATOM 0 HG2 ARG W 468 -2.173 1.736 -5.255 1.00 0.00 H new ATOM 0 HG3 ARG W 468 -1.722 2.949 -4.074 1.00 0.00 H new ATOM 0 HD2 ARG W 468 -2.597 4.260 -5.796 1.00 0.00 H new ATOM 0 HD3 ARG W 468 -0.877 4.329 -6.129 1.00 0.00 H new ATOM 0 HE ARG W 468 -1.229 3.195 -8.124 1.00 0.00 H new ATOM 0 HH11 ARG W 468 -3.998 2.754 -5.979 1.00 0.00 H new ATOM 0 HH12 ARG W 468 -4.966 1.932 -7.207 1.00 0.00 H new ATOM 0 HH21 ARG W 468 -2.478 2.139 -9.697 1.00 0.00 H new ATOM 0 HH22 ARG W 468 -4.109 1.585 -9.303 1.00 0.00 H new ATOM 272 N THR W 469 1.623 2.468 -7.857 1.00 0.00 N ATOM 273 CA THR W 469 2.863 2.895 -8.496 1.00 0.00 C ATOM 274 C THR W 469 3.462 4.111 -7.796 1.00 0.00 C ATOM 275 O THR W 469 2.792 5.128 -7.615 1.00 0.00 O ATOM 276 CB THR W 469 2.641 3.232 -9.982 1.00 0.00 C ATOM 277 OG1 THR W 469 1.341 3.805 -10.165 1.00 0.00 O ATOM 278 CG2 THR W 469 2.778 1.989 -10.846 1.00 0.00 C ATOM 0 H THR W 469 0.785 2.930 -8.211 1.00 0.00 H new ATOM 0 HA THR W 469 3.558 2.059 -8.417 1.00 0.00 H new ATOM 0 HB THR W 469 3.402 3.951 -10.286 1.00 0.00 H new ATOM 0 HG1 THR W 469 1.208 4.018 -11.112 1.00 0.00 H new ATOM 0 HG21 THR W 469 2.617 2.253 -11.891 1.00 0.00 H new ATOM 0 HG22 THR W 469 3.778 1.572 -10.727 1.00 0.00 H new ATOM 0 HG23 THR W 469 2.038 1.250 -10.540 1.00 0.00 H new ATOM 286 N HIS W 470 4.729 4.000 -7.408 1.00 0.00 N ATOM 287 CA HIS W 470 5.422 5.090 -6.732 1.00 0.00 C ATOM 288 C HIS W 470 5.859 6.160 -7.728 1.00 0.00 C ATOM 289 O HIS W 470 5.978 5.896 -8.925 1.00 0.00 O ATOM 290 CB HIS W 470 6.637 4.559 -5.969 1.00 0.00 C ATOM 291 CG HIS W 470 7.110 5.476 -4.884 1.00 0.00 C ATOM 292 ND1 HIS W 470 6.448 5.566 -3.683 1.00 0.00 N ATOM 293 CD2 HIS W 470 8.173 6.318 -4.867 1.00 0.00 C ATOM 294 CE1 HIS W 470 7.116 6.452 -2.967 1.00 0.00 C ATOM 295 NE2 HIS W 470 8.170 6.935 -3.643 1.00 0.00 N ATOM 0 H HIS W 470 5.297 3.165 -7.551 1.00 0.00 H new ATOM 0 HA HIS W 470 4.728 5.541 -6.023 1.00 0.00 H new ATOM 0 HB2 HIS W 470 6.388 3.592 -5.533 1.00 0.00 H new ATOM 0 HB3 HIS W 470 7.452 4.391 -6.672 1.00 0.00 H new ATOM 0 HD2 HIS W 470 8.885 6.473 -5.664 1.00 0.00 H new ATOM 0 HE1 HIS W 470 6.848 6.750 -1.964 1.00 0.00 H new ATOM 0 HE2 HIS W 470 8.840 7.628 -3.310 1.00 0.00 H new ATOM 303 N THR W 471 6.097 7.367 -7.225 1.00 0.00 N ATOM 304 CA THR W 471 6.522 8.480 -8.066 1.00 0.00 C ATOM 305 C THR W 471 7.805 8.149 -8.823 1.00 0.00 C ATOM 306 O THR W 471 8.107 8.762 -9.848 1.00 0.00 O ATOM 307 CB THR W 471 6.747 9.756 -7.233 1.00 0.00 C ATOM 308 OG1 THR W 471 5.747 9.856 -6.212 1.00 0.00 O ATOM 309 CG2 THR W 471 6.701 10.994 -8.115 1.00 0.00 C ATOM 0 H THR W 471 6.002 7.600 -6.236 1.00 0.00 H new ATOM 0 HA THR W 471 5.720 8.655 -8.783 1.00 0.00 H new ATOM 0 HB THR W 471 7.733 9.693 -6.773 1.00 0.00 H new ATOM 0 HG1 THR W 471 6.068 9.418 -5.396 1.00 0.00 H new ATOM 0 HG21 THR W 471 6.862 11.882 -7.504 1.00 0.00 H new ATOM 0 HG22 THR W 471 7.481 10.929 -8.874 1.00 0.00 H new ATOM 0 HG23 THR W 471 5.727 11.059 -8.600 1.00 0.00 H new ATOM 317 N ASP W 472 8.556 7.176 -8.316 1.00 0.00 N ATOM 318 CA ASP W 472 9.807 6.766 -8.948 1.00 0.00 C ATOM 319 C ASP W 472 9.571 5.681 -9.998 1.00 0.00 C ATOM 320 O ASP W 472 10.455 5.384 -10.802 1.00 0.00 O ATOM 321 CB ASP W 472 10.792 6.261 -7.893 1.00 0.00 C ATOM 322 CG ASP W 472 11.276 7.368 -6.977 1.00 0.00 C ATOM 323 OD1 ASP W 472 10.470 8.264 -6.651 1.00 0.00 O ATOM 324 OD2 ASP W 472 12.461 7.337 -6.584 1.00 0.00 O ATOM 0 H ASP W 472 8.321 6.657 -7.470 1.00 0.00 H new ATOM 0 HA ASP W 472 10.228 7.638 -9.448 1.00 0.00 H new ATOM 0 HB2 ASP W 472 10.315 5.483 -7.297 1.00 0.00 H new ATOM 0 HB3 ASP W 472 11.648 5.803 -8.389 1.00 0.00 H new ATOM 329 N GLY W 473 8.379 5.090 -9.990 1.00 0.00 N ATOM 330 CA GLY W 473 8.061 4.047 -10.947 1.00 0.00 C ATOM 331 C GLY W 473 7.971 2.677 -10.304 1.00 0.00 C ATOM 332 O GLY W 473 7.379 1.757 -10.869 1.00 0.00 O ATOM 0 H GLY W 473 7.628 5.316 -9.337 1.00 0.00 H new ATOM 0 HA2 GLY W 473 7.113 4.280 -11.432 1.00 0.00 H new ATOM 0 HA3 GLY W 473 8.822 4.029 -11.727 1.00 0.00 H new ATOM 336 N ARG W 474 8.550 2.540 -9.114 1.00 0.00 N ATOM 337 CA ARG W 474 8.519 1.274 -8.395 1.00 0.00 C ATOM 338 C ARG W 474 7.162 1.076 -7.728 1.00 0.00 C ATOM 339 O ARG W 474 6.754 1.874 -6.884 1.00 0.00 O ATOM 340 CB ARG W 474 9.634 1.227 -7.348 1.00 0.00 C ATOM 341 CG ARG W 474 11.032 1.254 -7.947 1.00 0.00 C ATOM 342 CD ARG W 474 12.063 1.724 -6.935 1.00 0.00 C ATOM 343 NE ARG W 474 13.430 1.526 -7.411 1.00 0.00 N ATOM 344 CZ ARG W 474 14.510 1.803 -6.687 1.00 0.00 C ATOM 345 NH1 ARG W 474 14.380 2.285 -5.458 1.00 0.00 N ATOM 346 NH2 ARG W 474 15.720 1.596 -7.188 1.00 0.00 N ATOM 0 H ARG W 474 9.045 3.289 -8.630 1.00 0.00 H new ATOM 0 HA ARG W 474 8.678 0.467 -9.110 1.00 0.00 H new ATOM 0 HB2 ARG W 474 9.521 2.074 -6.671 1.00 0.00 H new ATOM 0 HB3 ARG W 474 9.521 0.323 -6.750 1.00 0.00 H new ATOM 0 HG2 ARG W 474 11.296 0.258 -8.301 1.00 0.00 H new ATOM 0 HG3 ARG W 474 11.045 1.914 -8.814 1.00 0.00 H new ATOM 0 HD2 ARG W 474 11.904 2.781 -6.720 1.00 0.00 H new ATOM 0 HD3 ARG W 474 11.924 1.184 -5.999 1.00 0.00 H new ATOM 0 HE ARG W 474 13.563 1.154 -8.352 1.00 0.00 H new ATOM 0 HH11 ARG W 474 13.451 2.443 -5.068 1.00 0.00 H new ATOM 0 HH12 ARG W 474 15.209 2.497 -4.903 1.00 0.00 H new ATOM 0 HH21 ARG W 474 15.824 1.223 -8.132 1.00 0.00 H new ATOM 0 HH22 ARG W 474 16.547 1.810 -6.630 1.00 0.00 H new ATOM 360 N VAL W 475 6.461 0.018 -8.119 1.00 0.00 N ATOM 361 CA VAL W 475 5.143 -0.268 -7.563 1.00 0.00 C ATOM 362 C VAL W 475 5.246 -0.906 -6.181 1.00 0.00 C ATOM 363 O VAL W 475 5.693 -2.044 -6.041 1.00 0.00 O ATOM 364 CB VAL W 475 4.338 -1.201 -8.485 1.00 0.00 C ATOM 365 CG1 VAL W 475 5.045 -2.556 -8.618 1.00 0.00 C ATOM 366 CG2 VAL W 475 2.897 -1.327 -7.975 1.00 0.00 C ATOM 0 H VAL W 475 6.781 -0.654 -8.816 1.00 0.00 H new ATOM 0 HA VAL W 475 4.626 0.688 -7.477 1.00 0.00 H new ATOM 0 HB VAL W 475 4.285 -0.775 -9.487 1.00 0.00 H new ATOM 0 HG11 VAL W 475 4.465 -3.206 -9.273 1.00 0.00 H new ATOM 0 HG12 VAL W 475 6.039 -2.408 -9.041 1.00 0.00 H new ATOM 0 HG13 VAL W 475 5.134 -3.018 -7.635 1.00 0.00 H new ATOM 0 HG21 VAL W 475 2.335 -1.989 -8.633 1.00 0.00 H new ATOM 0 HG22 VAL W 475 2.903 -1.738 -6.966 1.00 0.00 H new ATOM 0 HG23 VAL W 475 2.428 -0.343 -7.963 1.00 0.00 H new ATOM 376 N PHE W 476 4.819 -0.165 -5.163 1.00 0.00 N ATOM 377 CA PHE W 476 4.850 -0.658 -3.790 1.00 0.00 C ATOM 378 C PHE W 476 3.559 -1.398 -3.452 1.00 0.00 C ATOM 379 O PHE W 476 2.717 -1.622 -4.321 1.00 0.00 O ATOM 380 CB PHE W 476 5.073 0.496 -2.808 1.00 0.00 C ATOM 381 CG PHE W 476 4.000 1.546 -2.852 1.00 0.00 C ATOM 382 CD1 PHE W 476 4.036 2.558 -3.798 1.00 0.00 C ATOM 383 CD2 PHE W 476 2.957 1.518 -1.944 1.00 0.00 C ATOM 384 CE1 PHE W 476 3.047 3.523 -3.835 1.00 0.00 C ATOM 385 CE2 PHE W 476 1.965 2.480 -1.976 1.00 0.00 C ATOM 386 CZ PHE W 476 2.010 3.483 -2.923 1.00 0.00 C ATOM 0 H PHE W 476 4.447 0.780 -5.263 1.00 0.00 H new ATOM 0 HA PHE W 476 5.682 -1.357 -3.700 1.00 0.00 H new ATOM 0 HB2 PHE W 476 5.133 0.094 -1.797 1.00 0.00 H new ATOM 0 HB3 PHE W 476 6.034 0.963 -3.023 1.00 0.00 H new ATOM 0 HD1 PHE W 476 4.845 2.593 -4.513 1.00 0.00 H new ATOM 0 HD2 PHE W 476 2.917 0.735 -1.201 1.00 0.00 H new ATOM 0 HE1 PHE W 476 3.085 4.308 -4.576 1.00 0.00 H new ATOM 0 HE2 PHE W 476 1.156 2.447 -1.261 1.00 0.00 H new ATOM 0 HZ PHE W 476 1.236 4.235 -2.951 1.00 0.00 H new ATOM 396 N PHE W 477 3.410 -1.779 -2.186 1.00 0.00 N ATOM 397 CA PHE W 477 2.220 -2.497 -1.743 1.00 0.00 C ATOM 398 C PHE W 477 1.446 -1.691 -0.702 1.00 0.00 C ATOM 399 O PHE W 477 2.030 -0.920 0.060 1.00 0.00 O ATOM 400 CB PHE W 477 2.610 -3.859 -1.165 1.00 0.00 C ATOM 401 CG PHE W 477 3.325 -4.743 -2.147 1.00 0.00 C ATOM 402 CD1 PHE W 477 4.576 -4.394 -2.629 1.00 0.00 C ATOM 403 CD2 PHE W 477 2.745 -5.922 -2.588 1.00 0.00 C ATOM 404 CE1 PHE W 477 5.236 -5.205 -3.533 1.00 0.00 C ATOM 405 CE2 PHE W 477 3.400 -6.738 -3.492 1.00 0.00 C ATOM 406 CZ PHE W 477 4.648 -6.378 -3.965 1.00 0.00 C ATOM 0 H PHE W 477 4.096 -1.603 -1.452 1.00 0.00 H new ATOM 0 HA PHE W 477 1.574 -2.646 -2.608 1.00 0.00 H new ATOM 0 HB2 PHE W 477 3.247 -3.706 -0.294 1.00 0.00 H new ATOM 0 HB3 PHE W 477 1.711 -4.368 -0.817 1.00 0.00 H new ATOM 0 HD1 PHE W 477 5.041 -3.478 -2.295 1.00 0.00 H new ATOM 0 HD2 PHE W 477 1.770 -6.207 -2.221 1.00 0.00 H new ATOM 0 HE1 PHE W 477 6.211 -4.922 -3.901 1.00 0.00 H new ATOM 0 HE2 PHE W 477 2.938 -7.654 -3.828 1.00 0.00 H new ATOM 0 HZ PHE W 477 5.163 -7.013 -4.671 1.00 0.00 H new ATOM 416 N ILE W 478 0.128 -1.875 -0.677 1.00 0.00 N ATOM 417 CA ILE W 478 -0.730 -1.169 0.269 1.00 0.00 C ATOM 418 C ILE W 478 -1.881 -2.059 0.715 1.00 0.00 C ATOM 419 O ILE W 478 -2.493 -2.736 -0.103 1.00 0.00 O ATOM 420 CB ILE W 478 -1.315 0.121 -0.355 1.00 0.00 C ATOM 421 CG1 ILE W 478 -2.070 0.951 0.695 1.00 0.00 C ATOM 422 CG2 ILE W 478 -2.232 -0.224 -1.517 1.00 0.00 C ATOM 423 CD1 ILE W 478 -2.910 2.082 0.113 1.00 0.00 C ATOM 0 H ILE W 478 -0.369 -2.509 -1.303 1.00 0.00 H new ATOM 0 HA ILE W 478 -0.112 -0.903 1.127 1.00 0.00 H new ATOM 0 HB ILE W 478 -0.486 0.723 -0.727 1.00 0.00 H new ATOM 0 HG12 ILE W 478 -2.720 0.288 1.267 1.00 0.00 H new ATOM 0 HG13 ILE W 478 -1.349 1.373 1.395 1.00 0.00 H new ATOM 0 HG21 ILE W 478 -2.636 0.693 -1.946 1.00 0.00 H new ATOM 0 HG22 ILE W 478 -1.668 -0.763 -2.278 1.00 0.00 H new ATOM 0 HG23 ILE W 478 -3.051 -0.850 -1.161 1.00 0.00 H new ATOM 0 HD11 ILE W 478 -3.409 2.617 0.921 1.00 0.00 H new ATOM 0 HD12 ILE W 478 -2.265 2.770 -0.434 1.00 0.00 H new ATOM 0 HD13 ILE W 478 -3.657 1.669 -0.565 1.00 0.00 H new ATOM 435 N ASN W 479 -2.176 -2.051 2.010 1.00 0.00 N ATOM 436 CA ASN W 479 -3.262 -2.865 2.543 1.00 0.00 C ATOM 437 C ASN W 479 -4.544 -2.046 2.679 1.00 0.00 C ATOM 438 O ASN W 479 -4.511 -0.816 2.655 1.00 0.00 O ATOM 439 CB ASN W 479 -2.862 -3.467 3.893 1.00 0.00 C ATOM 440 CG ASN W 479 -2.874 -2.452 5.019 1.00 0.00 C ATOM 441 OD1 ASN W 479 -2.980 -1.248 4.786 1.00 0.00 O ATOM 442 ND2 ASN W 479 -2.768 -2.936 6.251 1.00 0.00 N ATOM 0 H ASN W 479 -1.682 -1.493 2.707 1.00 0.00 H new ATOM 0 HA ASN W 479 -3.455 -3.677 1.842 1.00 0.00 H new ATOM 0 HB2 ASN W 479 -3.543 -4.282 4.138 1.00 0.00 H new ATOM 0 HB3 ASN W 479 -1.865 -3.899 3.811 1.00 0.00 H new ATOM 0 HD21 ASN W 479 -2.773 -2.302 7.050 1.00 0.00 H new ATOM 0 HD22 ASN W 479 -2.682 -3.942 6.398 1.00 0.00 H new ATOM 449 N HIS W 480 -5.672 -2.736 2.818 1.00 0.00 N ATOM 450 CA HIS W 480 -6.963 -2.068 2.953 1.00 0.00 C ATOM 451 C HIS W 480 -7.653 -2.442 4.263 1.00 0.00 C ATOM 452 O HIS W 480 -8.865 -2.275 4.403 1.00 0.00 O ATOM 453 CB HIS W 480 -7.867 -2.425 1.772 1.00 0.00 C ATOM 454 CG HIS W 480 -7.857 -1.400 0.682 1.00 0.00 C ATOM 455 ND1 HIS W 480 -9.024 -0.890 0.166 1.00 0.00 N ATOM 456 CD2 HIS W 480 -6.805 -0.825 0.051 1.00 0.00 C ATOM 457 CE1 HIS W 480 -8.661 -0.022 -0.761 1.00 0.00 C ATOM 458 NE2 HIS W 480 -7.325 0.051 -0.867 1.00 0.00 N ATOM 0 H HIS W 480 -5.719 -3.755 2.840 1.00 0.00 H new ATOM 0 HA HIS W 480 -6.781 -0.993 2.961 1.00 0.00 H new ATOM 0 HB2 HIS W 480 -7.553 -3.384 1.361 1.00 0.00 H new ATOM 0 HB3 HIS W 480 -8.888 -2.552 2.132 1.00 0.00 H new ATOM 0 HD2 HIS W 480 -5.759 -1.019 0.235 1.00 0.00 H new ATOM 0 HE1 HIS W 480 -9.351 0.556 -1.358 1.00 0.00 H new ATOM 0 HE2 HIS W 480 -6.798 0.644 -1.508 1.00 0.00 H new ATOM 466 N ASN W 481 -6.880 -2.945 5.221 1.00 0.00 N ATOM 467 CA ASN W 481 -7.430 -3.333 6.516 1.00 0.00 C ATOM 468 C ASN W 481 -7.347 -2.175 7.503 1.00 0.00 C ATOM 469 O ASN W 481 -8.319 -1.859 8.190 1.00 0.00 O ATOM 470 CB ASN W 481 -6.687 -4.547 7.078 1.00 0.00 C ATOM 471 CG ASN W 481 -6.269 -5.528 6.000 1.00 0.00 C ATOM 472 OD1 ASN W 481 -5.071 -5.336 5.462 1.00 0.00 O flip ATOM 473 ND2 ASN W 481 -7.014 -6.445 5.655 1.00 0.00 N flip ATOM 0 H ASN W 481 -5.875 -3.093 5.126 1.00 0.00 H new ATOM 0 HA ASN W 481 -8.477 -3.598 6.370 1.00 0.00 H new ATOM 0 HB2 ASN W 481 -5.803 -4.209 7.618 1.00 0.00 H new ATOM 0 HB3 ASN W 481 -7.326 -5.057 7.799 1.00 0.00 H new ATOM 0 HD21 ASN W 481 -7.927 -6.554 6.097 1.00 0.00 H new ATOM 0 HD22 ASN W 481 -6.718 -7.096 4.927 1.00 0.00 H new ATOM 480 N ILE W 482 -6.181 -1.543 7.563 1.00 0.00 N ATOM 481 CA ILE W 482 -5.968 -0.414 8.460 1.00 0.00 C ATOM 482 C ILE W 482 -5.378 0.770 7.707 1.00 0.00 C ATOM 483 O ILE W 482 -4.663 1.593 8.279 1.00 0.00 O ATOM 484 CB ILE W 482 -5.030 -0.785 9.626 1.00 0.00 C ATOM 485 CG1 ILE W 482 -3.831 -1.583 9.111 1.00 0.00 C ATOM 486 CG2 ILE W 482 -5.787 -1.578 10.680 1.00 0.00 C ATOM 487 CD1 ILE W 482 -2.908 -2.064 10.210 1.00 0.00 C ATOM 0 H ILE W 482 -5.368 -1.794 7.001 1.00 0.00 H new ATOM 0 HA ILE W 482 -6.942 -0.142 8.866 1.00 0.00 H new ATOM 0 HB ILE W 482 -4.661 0.133 10.083 1.00 0.00 H new ATOM 0 HG12 ILE W 482 -4.192 -2.444 8.548 1.00 0.00 H new ATOM 0 HG13 ILE W 482 -3.264 -0.963 8.416 1.00 0.00 H new ATOM 0 HG21 ILE W 482 -5.113 -1.833 11.497 1.00 0.00 H new ATOM 0 HG22 ILE W 482 -6.612 -0.978 11.064 1.00 0.00 H new ATOM 0 HG23 ILE W 482 -6.180 -2.492 10.235 1.00 0.00 H new ATOM 0 HD11 ILE W 482 -2.081 -2.622 9.772 1.00 0.00 H new ATOM 0 HD12 ILE W 482 -2.517 -1.207 10.758 1.00 0.00 H new ATOM 0 HD13 ILE W 482 -3.460 -2.710 10.892 1.00 0.00 H new ATOM 499 N LYS W 483 -5.685 0.849 6.414 1.00 0.00 N ATOM 500 CA LYS W 483 -5.193 1.929 5.563 1.00 0.00 C ATOM 501 C LYS W 483 -3.714 2.209 5.820 1.00 0.00 C ATOM 502 O LYS W 483 -3.364 3.150 6.533 1.00 0.00 O ATOM 503 CB LYS W 483 -6.013 3.200 5.793 1.00 0.00 C ATOM 504 CG LYS W 483 -7.481 3.052 5.425 1.00 0.00 C ATOM 505 CD LYS W 483 -8.182 2.046 6.326 1.00 0.00 C ATOM 506 CE LYS W 483 -9.660 2.370 6.478 1.00 0.00 C ATOM 507 NZ LYS W 483 -10.498 1.607 5.512 1.00 0.00 N ATOM 0 H LYS W 483 -6.276 0.173 5.931 1.00 0.00 H new ATOM 0 HA LYS W 483 -5.303 1.613 4.526 1.00 0.00 H new ATOM 0 HB2 LYS W 483 -5.937 3.487 6.842 1.00 0.00 H new ATOM 0 HB3 LYS W 483 -5.581 4.012 5.209 1.00 0.00 H new ATOM 0 HG2 LYS W 483 -7.976 4.020 5.504 1.00 0.00 H new ATOM 0 HG3 LYS W 483 -7.567 2.733 4.386 1.00 0.00 H new ATOM 0 HD2 LYS W 483 -8.069 1.044 5.912 1.00 0.00 H new ATOM 0 HD3 LYS W 483 -7.707 2.041 7.307 1.00 0.00 H new ATOM 0 HE2 LYS W 483 -9.979 2.141 7.495 1.00 0.00 H new ATOM 0 HE3 LYS W 483 -9.815 3.438 6.328 1.00 0.00 H new ATOM 0 HZ1 LYS W 483 -11.499 1.856 5.648 1.00 0.00 H new ATOM 0 HZ2 LYS W 483 -10.211 1.844 4.541 1.00 0.00 H new ATOM 0 HZ3 LYS W 483 -10.370 0.587 5.672 1.00 0.00 H new ATOM 521 N LYS W 484 -2.854 1.385 5.232 1.00 0.00 N ATOM 522 CA LYS W 484 -1.413 1.539 5.391 1.00 0.00 C ATOM 523 C LYS W 484 -0.678 1.024 4.158 1.00 0.00 C ATOM 524 O LYS W 484 -1.268 0.363 3.304 1.00 0.00 O ATOM 525 CB LYS W 484 -0.931 0.791 6.635 1.00 0.00 C ATOM 526 CG LYS W 484 0.175 1.513 7.387 1.00 0.00 C ATOM 527 CD LYS W 484 0.110 1.235 8.880 1.00 0.00 C ATOM 528 CE LYS W 484 1.316 0.437 9.351 1.00 0.00 C ATOM 529 NZ LYS W 484 0.950 -0.957 9.722 1.00 0.00 N ATOM 0 H LYS W 484 -3.131 0.602 4.640 1.00 0.00 H new ATOM 0 HA LYS W 484 -1.195 2.600 5.510 1.00 0.00 H new ATOM 0 HB2 LYS W 484 -1.776 0.637 7.307 1.00 0.00 H new ATOM 0 HB3 LYS W 484 -0.575 -0.196 6.340 1.00 0.00 H new ATOM 0 HG2 LYS W 484 1.144 1.199 7.000 1.00 0.00 H new ATOM 0 HG3 LYS W 484 0.094 2.586 7.212 1.00 0.00 H new ATOM 0 HD2 LYS W 484 0.061 2.178 9.425 1.00 0.00 H new ATOM 0 HD3 LYS W 484 -0.803 0.686 9.110 1.00 0.00 H new ATOM 0 HE2 LYS W 484 2.068 0.417 8.562 1.00 0.00 H new ATOM 0 HE3 LYS W 484 1.767 0.934 10.210 1.00 0.00 H new ATOM 0 HZ1 LYS W 484 1.800 -1.467 10.037 1.00 0.00 H new ATOM 0 HZ2 LYS W 484 0.251 -0.939 10.492 1.00 0.00 H new ATOM 0 HZ3 LYS W 484 0.543 -1.441 8.896 1.00 0.00 H new ATOM 543 N THR W 485 0.611 1.331 4.072 1.00 0.00 N ATOM 544 CA THR W 485 1.425 0.900 2.943 1.00 0.00 C ATOM 545 C THR W 485 2.850 0.577 3.381 1.00 0.00 C ATOM 546 O THR W 485 3.254 0.901 4.498 1.00 0.00 O ATOM 547 CB THR W 485 1.474 1.974 1.840 1.00 0.00 C ATOM 548 OG1 THR W 485 2.301 1.526 0.763 1.00 0.00 O ATOM 549 CG2 THR W 485 2.008 3.289 2.387 1.00 0.00 C ATOM 0 H THR W 485 1.115 1.877 4.771 1.00 0.00 H new ATOM 0 HA THR W 485 0.956 0.000 2.545 1.00 0.00 H new ATOM 0 HB THR W 485 0.460 2.139 1.476 1.00 0.00 H new ATOM 0 HG1 THR W 485 2.290 2.191 0.044 1.00 0.00 H new ATOM 0 HG21 THR W 485 2.033 4.031 1.589 1.00 0.00 H new ATOM 0 HG22 THR W 485 1.359 3.640 3.189 1.00 0.00 H new ATOM 0 HG23 THR W 485 3.015 3.139 2.775 1.00 0.00 H new ATOM 557 N GLN W 486 3.605 -0.069 2.498 1.00 0.00 N ATOM 558 CA GLN W 486 4.980 -0.439 2.799 1.00 0.00 C ATOM 559 C GLN W 486 5.775 -0.668 1.516 1.00 0.00 C ATOM 560 O GLN W 486 5.231 -1.127 0.510 1.00 0.00 O ATOM 561 CB GLN W 486 4.999 -1.705 3.649 1.00 0.00 C ATOM 562 CG GLN W 486 4.024 -2.765 3.164 1.00 0.00 C ATOM 563 CD GLN W 486 4.379 -4.149 3.663 1.00 0.00 C ATOM 564 OE1 GLN W 486 5.193 -4.857 2.893 1.00 0.00 O flip ATOM 565 NE2 GLN W 486 3.929 -4.575 4.727 1.00 0.00 N flip ATOM 0 H GLN W 486 3.287 -0.346 1.569 1.00 0.00 H new ATOM 0 HA GLN W 486 5.444 0.379 3.351 1.00 0.00 H new ATOM 0 HB2 GLN W 486 6.007 -2.120 3.649 1.00 0.00 H new ATOM 0 HB3 GLN W 486 4.761 -1.446 4.681 1.00 0.00 H new ATOM 0 HG2 GLN W 486 3.018 -2.509 3.497 1.00 0.00 H new ATOM 0 HG3 GLN W 486 4.008 -2.768 2.074 1.00 0.00 H new ATOM 0 HE21 GLN W 486 3.305 -3.993 5.286 1.00 0.00 H new ATOM 0 HE22 GLN W 486 4.180 -5.510 5.049 1.00 0.00 H new ATOM 574 N TRP W 487 7.065 -0.348 1.560 1.00 0.00 N ATOM 575 CA TRP W 487 7.935 -0.520 0.404 1.00 0.00 C ATOM 576 C TRP W 487 8.198 -1.999 0.144 1.00 0.00 C ATOM 577 O TRP W 487 8.222 -2.445 -1.003 1.00 0.00 O ATOM 578 CB TRP W 487 9.260 0.215 0.622 1.00 0.00 C ATOM 579 CG TRP W 487 9.302 1.567 -0.023 1.00 0.00 C ATOM 580 CD1 TRP W 487 9.569 2.758 0.588 1.00 0.00 C ATOM 581 CD2 TRP W 487 9.074 1.865 -1.404 1.00 0.00 C ATOM 582 NE1 TRP W 487 9.519 3.780 -0.330 1.00 0.00 N ATOM 583 CE2 TRP W 487 9.216 3.257 -1.559 1.00 0.00 C ATOM 584 CE3 TRP W 487 8.762 1.092 -2.525 1.00 0.00 C ATOM 585 CZ2 TRP W 487 9.058 3.890 -2.790 1.00 0.00 C ATOM 586 CZ3 TRP W 487 8.605 1.720 -3.746 1.00 0.00 C ATOM 587 CH2 TRP W 487 8.754 3.107 -3.870 1.00 0.00 C ATOM 0 H TRP W 487 7.530 0.032 2.385 1.00 0.00 H new ATOM 0 HA TRP W 487 7.433 -0.097 -0.466 1.00 0.00 H new ATOM 0 HB2 TRP W 487 9.434 0.325 1.692 1.00 0.00 H new ATOM 0 HB3 TRP W 487 10.074 -0.393 0.228 1.00 0.00 H new ATOM 0 HD1 TRP W 487 9.788 2.880 1.639 1.00 0.00 H new ATOM 0 HE1 TRP W 487 9.681 4.767 -0.129 1.00 0.00 H new ATOM 0 HE3 TRP W 487 8.645 0.022 -2.439 1.00 0.00 H new ATOM 0 HZ2 TRP W 487 9.171 4.960 -2.888 1.00 0.00 H new ATOM 0 HZ3 TRP W 487 8.363 1.132 -4.619 1.00 0.00 H new ATOM 0 HH2 TRP W 487 8.626 3.568 -4.838 1.00 0.00 H new ATOM 598 N GLU W 488 8.392 -2.756 1.219 1.00 0.00 N ATOM 599 CA GLU W 488 8.651 -4.187 1.113 1.00 0.00 C ATOM 600 C GLU W 488 7.472 -4.907 0.465 1.00 0.00 C ATOM 601 O GLU W 488 6.430 -4.304 0.205 1.00 0.00 O ATOM 602 CB GLU W 488 8.927 -4.780 2.496 1.00 0.00 C ATOM 603 CG GLU W 488 10.407 -4.935 2.807 1.00 0.00 C ATOM 604 CD GLU W 488 10.658 -5.369 4.238 1.00 0.00 C ATOM 605 OE1 GLU W 488 9.687 -5.760 4.919 1.00 0.00 O ATOM 606 OE2 GLU W 488 11.826 -5.318 4.677 1.00 0.00 O ATOM 0 H GLU W 488 8.375 -2.401 2.175 1.00 0.00 H new ATOM 0 HA GLU W 488 9.530 -4.326 0.483 1.00 0.00 H new ATOM 0 HB2 GLU W 488 8.470 -4.143 3.253 1.00 0.00 H new ATOM 0 HB3 GLU W 488 8.445 -5.755 2.567 1.00 0.00 H new ATOM 0 HG2 GLU W 488 10.843 -5.667 2.127 1.00 0.00 H new ATOM 0 HG3 GLU W 488 10.914 -3.988 2.624 1.00 0.00 H new ATOM 613 N ASP W 489 7.644 -6.199 0.209 1.00 0.00 N ATOM 614 CA ASP W 489 6.596 -7.004 -0.408 1.00 0.00 C ATOM 615 C ASP W 489 5.981 -7.968 0.608 1.00 0.00 C ATOM 616 O ASP W 489 6.629 -8.928 1.028 1.00 0.00 O ATOM 617 CB ASP W 489 7.162 -7.788 -1.593 1.00 0.00 C ATOM 618 CG ASP W 489 7.804 -6.886 -2.629 1.00 0.00 C ATOM 619 OD1 ASP W 489 8.669 -6.068 -2.251 1.00 0.00 O ATOM 620 OD2 ASP W 489 7.443 -6.998 -3.819 1.00 0.00 O ATOM 0 H ASP W 489 8.500 -6.712 0.419 1.00 0.00 H new ATOM 0 HA ASP W 489 5.815 -6.332 -0.763 1.00 0.00 H new ATOM 0 HB2 ASP W 489 7.900 -8.505 -1.232 1.00 0.00 H new ATOM 0 HB3 ASP W 489 6.362 -8.362 -2.061 1.00 0.00 H new ATOM 625 N PRO W 490 4.722 -7.731 1.019 1.00 0.00 N ATOM 626 CA PRO W 490 4.037 -8.593 1.989 1.00 0.00 C ATOM 627 C PRO W 490 3.753 -9.981 1.427 1.00 0.00 C ATOM 628 O PRO W 490 3.828 -10.979 2.145 1.00 0.00 O ATOM 629 CB PRO W 490 2.728 -7.850 2.272 1.00 0.00 C ATOM 630 CG PRO W 490 2.505 -6.994 1.072 1.00 0.00 C ATOM 631 CD PRO W 490 3.870 -6.614 0.572 1.00 0.00 C ATOM 0 HA PRO W 490 4.642 -8.764 2.879 1.00 0.00 H new ATOM 0 HB2 PRO W 490 1.902 -8.546 2.419 1.00 0.00 H new ATOM 0 HB3 PRO W 490 2.803 -7.248 3.178 1.00 0.00 H new ATOM 0 HG2 PRO W 490 1.946 -7.533 0.307 1.00 0.00 H new ATOM 0 HG3 PRO W 490 1.923 -6.108 1.328 1.00 0.00 H new ATOM 0 HD2 PRO W 490 3.885 -6.507 -0.513 1.00 0.00 H new ATOM 0 HD3 PRO W 490 4.201 -5.664 0.991 1.00 0.00 H new ATOM 639 N ARG W 491 3.430 -10.037 0.140 1.00 0.00 N ATOM 640 CA ARG W 491 3.137 -11.304 -0.521 1.00 0.00 C ATOM 641 C ARG W 491 4.417 -12.098 -0.767 1.00 0.00 C ATOM 642 O ARG W 491 4.385 -13.324 -0.884 1.00 0.00 O ATOM 643 CB ARG W 491 2.415 -11.054 -1.846 1.00 0.00 C ATOM 644 CG ARG W 491 3.063 -9.974 -2.697 1.00 0.00 C ATOM 645 CD ARG W 491 2.730 -10.148 -4.170 1.00 0.00 C ATOM 646 NE ARG W 491 3.119 -11.464 -4.668 1.00 0.00 N ATOM 647 CZ ARG W 491 2.635 -12.002 -5.782 1.00 0.00 C ATOM 648 NH1 ARG W 491 1.750 -11.335 -6.511 1.00 0.00 N ATOM 649 NH2 ARG W 491 3.038 -13.204 -6.171 1.00 0.00 N ATOM 0 H ARG W 491 3.364 -9.220 -0.467 1.00 0.00 H new ATOM 0 HA ARG W 491 2.490 -11.888 0.134 1.00 0.00 H new ATOM 0 HB2 ARG W 491 2.384 -11.983 -2.415 1.00 0.00 H new ATOM 0 HB3 ARG W 491 1.382 -10.772 -1.640 1.00 0.00 H new ATOM 0 HG2 ARG W 491 2.726 -8.994 -2.360 1.00 0.00 H new ATOM 0 HG3 ARG W 491 4.144 -10.003 -2.562 1.00 0.00 H new ATOM 0 HD2 ARG W 491 1.660 -10.006 -4.319 1.00 0.00 H new ATOM 0 HD3 ARG W 491 3.237 -9.377 -4.750 1.00 0.00 H new ATOM 0 HE ARG W 491 3.800 -12.000 -4.131 1.00 0.00 H new ATOM 0 HH11 ARG W 491 1.441 -10.409 -6.216 1.00 0.00 H new ATOM 0 HH12 ARG W 491 1.379 -11.748 -7.366 1.00 0.00 H new ATOM 0 HH21 ARG W 491 3.721 -13.718 -5.614 1.00 0.00 H new ATOM 0 HH22 ARG W 491 2.665 -13.615 -7.027 1.00 0.00 H new ATOM 900 N PRO B 614 6.917 4.883 5.074 1.00 0.00 N ATOM 901 CA PRO B 614 6.623 4.179 3.822 1.00 0.00 C ATOM 902 C PRO B 614 6.125 5.119 2.727 1.00 0.00 C ATOM 903 O PRO B 614 6.061 6.333 2.922 1.00 0.00 O ATOM 904 CB PRO B 614 5.526 3.192 4.221 1.00 0.00 C ATOM 905 CG PRO B 614 5.750 2.947 5.673 1.00 0.00 C ATOM 906 CD PRO B 614 6.273 4.241 6.235 1.00 0.00 C ATOM 0 HA PRO B 614 7.511 3.705 3.403 1.00 0.00 H new ATOM 0 HB2 PRO B 614 4.535 3.606 4.037 1.00 0.00 H new ATOM 0 HB3 PRO B 614 5.597 2.268 3.648 1.00 0.00 H new ATOM 0 HG2 PRO B 614 4.824 2.653 6.167 1.00 0.00 H new ATOM 0 HG3 PRO B 614 6.464 2.138 5.827 1.00 0.00 H new ATOM 0 HD2 PRO B 614 5.470 4.857 6.640 1.00 0.00 H new ATOM 0 HD3 PRO B 614 6.983 4.070 7.044 1.00 0.00 H new ATOM 914 N PRO B 615 5.764 4.567 1.555 1.00 0.00 N ATOM 915 CA PRO B 615 5.271 5.363 0.425 1.00 0.00 C ATOM 916 C PRO B 615 4.098 6.259 0.814 1.00 0.00 C ATOM 917 O PRO B 615 3.738 6.351 1.988 1.00 0.00 O ATOM 918 CB PRO B 615 4.825 4.307 -0.589 1.00 0.00 C ATOM 919 CG PRO B 615 5.618 3.094 -0.251 1.00 0.00 C ATOM 920 CD PRO B 615 5.811 3.128 1.239 1.00 0.00 C ATOM 0 HA PRO B 615 6.033 6.043 0.044 1.00 0.00 H new ATOM 0 HB2 PRO B 615 3.755 4.113 -0.513 1.00 0.00 H new ATOM 0 HB3 PRO B 615 5.018 4.634 -1.611 1.00 0.00 H new ATOM 0 HG2 PRO B 615 5.095 2.188 -0.556 1.00 0.00 H new ATOM 0 HG3 PRO B 615 6.577 3.098 -0.769 1.00 0.00 H new ATOM 0 HD2 PRO B 615 5.028 2.576 1.759 1.00 0.00 H new ATOM 0 HD3 PRO B 615 6.762 2.683 1.532 1.00 0.00 H new ATOM 928 N PRO B 616 3.483 6.935 -0.172 1.00 0.00 N ATOM 929 CA PRO B 616 2.346 7.829 0.071 1.00 0.00 C ATOM 930 C PRO B 616 1.213 7.138 0.823 1.00 0.00 C ATOM 931 O PRO B 616 0.681 6.124 0.371 1.00 0.00 O ATOM 932 CB PRO B 616 1.890 8.223 -1.337 1.00 0.00 C ATOM 933 CG PRO B 616 3.097 8.043 -2.191 1.00 0.00 C ATOM 934 CD PRO B 616 3.850 6.885 -1.600 1.00 0.00 C ATOM 0 HA PRO B 616 2.626 8.678 0.695 1.00 0.00 H new ATOM 0 HB2 PRO B 616 1.067 7.594 -1.677 1.00 0.00 H new ATOM 0 HB3 PRO B 616 1.536 9.254 -1.364 1.00 0.00 H new ATOM 0 HG2 PRO B 616 2.817 7.840 -3.225 1.00 0.00 H new ATOM 0 HG3 PRO B 616 3.709 8.945 -2.197 1.00 0.00 H new ATOM 0 HD2 PRO B 616 3.558 5.940 -2.058 1.00 0.00 H new ATOM 0 HD3 PRO B 616 4.926 6.990 -1.743 1.00 0.00 H new ATOM 942 N ASN B 617 0.847 7.699 1.971 1.00 0.00 N ATOM 943 CA ASN B 617 -0.225 7.142 2.788 1.00 0.00 C ATOM 944 C ASN B 617 -1.537 7.106 2.012 1.00 0.00 C ATOM 945 O ASN B 617 -1.758 7.911 1.108 1.00 0.00 O ATOM 946 CB ASN B 617 -0.397 7.961 4.069 1.00 0.00 C ATOM 947 CG ASN B 617 -1.294 7.274 5.082 1.00 0.00 C ATOM 948 OD1 ASN B 617 -2.222 7.881 5.617 1.00 0.00 O ATOM 949 ND2 ASN B 617 -1.020 6.003 5.351 1.00 0.00 N ATOM 0 H ASN B 617 1.277 8.539 2.357 1.00 0.00 H new ATOM 0 HA ASN B 617 0.047 6.120 3.053 1.00 0.00 H new ATOM 0 HB2 ASN B 617 0.581 8.139 4.516 1.00 0.00 H new ATOM 0 HB3 ASN B 617 -0.816 8.936 3.820 1.00 0.00 H new ATOM 0 HD21 ASN B 617 -1.589 5.490 6.025 1.00 0.00 H new ATOM 0 HD22 ASN B 617 -0.241 5.539 4.884 1.00 0.00 H new ATOM 956 N TYR B 618 -2.403 6.163 2.369 1.00 0.00 N ATOM 957 CA TYR B 618 -3.693 6.018 1.704 1.00 0.00 C ATOM 958 C TYR B 618 -4.545 7.270 1.885 1.00 0.00 C ATOM 959 O TYR B 618 -5.301 7.652 0.991 1.00 0.00 O ATOM 960 CB TYR B 618 -4.437 4.798 2.250 1.00 0.00 C ATOM 961 CG TYR B 618 -5.721 4.488 1.514 1.00 0.00 C ATOM 962 CD1 TYR B 618 -5.713 4.199 0.156 1.00 0.00 C ATOM 963 CD2 TYR B 618 -6.941 4.485 2.178 1.00 0.00 C ATOM 964 CE1 TYR B 618 -6.885 3.916 -0.521 1.00 0.00 C ATOM 965 CE2 TYR B 618 -8.117 4.201 1.510 1.00 0.00 C ATOM 966 CZ TYR B 618 -8.083 3.917 0.161 1.00 0.00 C ATOM 967 OH TYR B 618 -9.252 3.636 -0.509 1.00 0.00 O ATOM 0 H TYR B 618 -2.235 5.488 3.115 1.00 0.00 H new ATOM 0 HA TYR B 618 -3.509 5.878 0.639 1.00 0.00 H new ATOM 0 HB2 TYR B 618 -3.780 3.930 2.198 1.00 0.00 H new ATOM 0 HB3 TYR B 618 -4.663 4.963 3.303 1.00 0.00 H new ATOM 0 HD1 TYR B 618 -4.776 4.195 -0.381 1.00 0.00 H new ATOM 0 HD2 TYR B 618 -6.971 4.708 3.234 1.00 0.00 H new ATOM 0 HE1 TYR B 618 -6.862 3.695 -1.578 1.00 0.00 H new ATOM 0 HE2 TYR B 618 -9.057 4.201 2.041 1.00 0.00 H new ATOM 0 HH TYR B 618 -10.005 3.677 0.116 1.00 0.00 H new ATOM 977 N ASP B 619 -4.417 7.909 3.042 1.00 0.00 N ATOM 978 CA ASP B 619 -5.174 9.121 3.334 1.00 0.00 C ATOM 979 C ASP B 619 -4.766 10.253 2.396 1.00 0.00 C ATOM 980 O ASP B 619 -5.541 11.176 2.146 1.00 0.00 O ATOM 981 CB ASP B 619 -4.961 9.545 4.788 1.00 0.00 C ATOM 982 CG ASP B 619 -6.054 9.036 5.707 1.00 0.00 C ATOM 983 OD1 ASP B 619 -7.170 8.775 5.212 1.00 0.00 O ATOM 984 OD2 ASP B 619 -5.793 8.897 6.920 1.00 0.00 O ATOM 0 H ASP B 619 -3.796 7.608 3.793 1.00 0.00 H new ATOM 0 HA ASP B 619 -6.231 8.906 3.179 1.00 0.00 H new ATOM 0 HB2 ASP B 619 -3.997 9.173 5.134 1.00 0.00 H new ATOM 0 HB3 ASP B 619 -4.921 10.633 4.844 1.00 0.00 H new ATOM 989 N SER B 620 -3.543 10.174 1.879 1.00 0.00 N ATOM 990 CA SER B 620 -3.028 11.189 0.968 1.00 0.00 C ATOM 991 C SER B 620 -3.191 10.756 -0.489 1.00 0.00 C ATOM 992 O SER B 620 -3.163 11.587 -1.397 1.00 0.00 O ATOM 993 CB SER B 620 -1.554 11.467 1.266 1.00 0.00 C ATOM 994 OG SER B 620 -1.266 12.853 1.176 1.00 0.00 O ATOM 0 H SER B 620 -2.890 9.416 2.077 1.00 0.00 H new ATOM 0 HA SER B 620 -3.604 12.101 1.121 1.00 0.00 H new ATOM 0 HB2 SER B 620 -1.307 11.106 2.264 1.00 0.00 H new ATOM 0 HB3 SER B 620 -0.928 10.916 0.564 1.00 0.00 H new ATOM 0 HG SER B 620 -0.318 13.004 1.373 1.00 0.00 H new ATOM 1000 N LEU B 621 -3.357 9.454 -0.706 1.00 0.00 N ATOM 1001 CA LEU B 621 -3.521 8.919 -2.053 1.00 0.00 C ATOM 1002 C LEU B 621 -4.891 9.279 -2.619 1.00 0.00 C ATOM 1003 O LEU B 621 -5.682 9.915 -1.891 1.00 0.00 O ATOM 1004 CB LEU B 621 -3.346 7.400 -2.045 1.00 0.00 C ATOM 1005 CG LEU B 621 -1.930 6.907 -2.345 1.00 0.00 C ATOM 1006 CD1 LEU B 621 -1.843 5.400 -2.166 1.00 0.00 C ATOM 1007 CD2 LEU B 621 -1.516 7.304 -3.754 1.00 0.00 C ATOM 1008 OXT LEU B 621 -5.161 8.922 -3.785 1.00 0.00 O ATOM 0 H LEU B 621 -3.381 8.751 0.033 1.00 0.00 H new ATOM 0 HA LEU B 621 -2.756 9.364 -2.689 1.00 0.00 H new ATOM 0 HB2 LEU B 621 -3.646 7.021 -1.068 1.00 0.00 H new ATOM 0 HB3 LEU B 621 -4.027 6.968 -2.778 1.00 0.00 H new ATOM 0 HG LEU B 621 -1.243 7.376 -1.641 1.00 0.00 H new ATOM 0 HD11 LEU B 621 -0.829 5.066 -2.383 1.00 0.00 H new ATOM 0 HD12 LEU B 621 -2.098 5.140 -1.139 1.00 0.00 H new ATOM 0 HD13 LEU B 621 -2.540 4.912 -2.847 1.00 0.00 H new ATOM 0 HD21 LEU B 621 -0.506 6.945 -3.951 1.00 0.00 H new ATOM 0 HD22 LEU B 621 -2.205 6.862 -4.474 1.00 0.00 H new ATOM 0 HD23 LEU B 621 -1.540 8.390 -3.848 1.00 0.00 H new