USER MOD reduce.3.24.130724 H: found=0, std=0, add=318, rem=0, adj=6 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= -1.43 K(o=-3.5,f=-8.3!) USER MOD Set 1.2: W 481 ASN : amide:sc= -2.07! K(o=-3.5!,f=-2) USER MOD Set 2.1: B 618 TYR OH : rot 180:sc= -0.38 USER MOD Set 2.2: W 480 HIS : no HD1:sc= -3.32 K(o=-3.7,f=-1.5!) USER MOD Single : B 617 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 620 SER OG : rot 180:sc= 0 USER MOD Single : W 469 THR OG1 : rot 29:sc= 0.476! USER MOD Single : W 470 HIS : no HD1:sc= -3.35 X(o=-3.4,f=-3.7) USER MOD Single : W 471 THR OG1 : rot 180:sc= 0 USER MOD Single : W 483 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.259) USER MOD Single : W 484 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : W 485 THR OG1 : rot 132:sc= 1.24 USER MOD Single : W 486 GLN : amide:sc= -1.2! K(o=-1.2!,f=-0.62) USER MOD ----------------------------------------------------------------- ATOM 126 N PRO W 460 -3.252 -11.591 -7.570 1.00 0.00 N ATOM 127 CA PRO W 460 -3.187 -10.127 -7.515 1.00 0.00 C ATOM 128 C PRO W 460 -3.012 -9.612 -6.091 1.00 0.00 C ATOM 129 O PRO W 460 -3.932 -9.036 -5.510 1.00 0.00 O ATOM 130 CB PRO W 460 -4.538 -9.682 -8.085 1.00 0.00 C ATOM 131 CG PRO W 460 -5.437 -10.855 -7.896 1.00 0.00 C ATOM 132 CD PRO W 460 -4.564 -12.069 -8.040 1.00 0.00 C ATOM 0 HA PRO W 460 -2.332 -9.737 -8.068 1.00 0.00 H new ATOM 0 HB2 PRO W 460 -4.918 -8.804 -7.562 1.00 0.00 H new ATOM 0 HB3 PRO W 460 -4.454 -9.414 -9.138 1.00 0.00 H new ATOM 0 HG2 PRO W 460 -5.912 -10.829 -6.915 1.00 0.00 H new ATOM 0 HG3 PRO W 460 -6.236 -10.858 -8.637 1.00 0.00 H new ATOM 0 HD2 PRO W 460 -4.929 -12.902 -7.439 1.00 0.00 H new ATOM 0 HD3 PRO W 460 -4.521 -12.415 -9.073 1.00 0.00 H new ATOM 140 N LEU W 461 -1.824 -9.825 -5.534 1.00 0.00 N ATOM 141 CA LEU W 461 -1.526 -9.385 -4.178 1.00 0.00 C ATOM 142 C LEU W 461 -2.412 -10.105 -3.165 1.00 0.00 C ATOM 143 O LEU W 461 -3.363 -10.791 -3.537 1.00 0.00 O ATOM 144 CB LEU W 461 -1.715 -7.872 -4.053 1.00 0.00 C ATOM 145 CG LEU W 461 -1.186 -7.053 -5.232 1.00 0.00 C ATOM 146 CD1 LEU W 461 -1.684 -5.619 -5.148 1.00 0.00 C ATOM 147 CD2 LEU W 461 0.335 -7.092 -5.267 1.00 0.00 C ATOM 0 H LEU W 461 -1.052 -10.300 -6.002 1.00 0.00 H new ATOM 0 HA LEU W 461 -0.486 -9.631 -3.965 1.00 0.00 H new ATOM 0 HB2 LEU W 461 -2.778 -7.663 -3.933 1.00 0.00 H new ATOM 0 HB3 LEU W 461 -1.219 -7.533 -3.143 1.00 0.00 H new ATOM 0 HG LEU W 461 -1.561 -7.493 -6.156 1.00 0.00 H new ATOM 0 HD11 LEU W 461 -1.299 -5.050 -5.994 1.00 0.00 H new ATOM 0 HD12 LEU W 461 -2.774 -5.610 -5.171 1.00 0.00 H new ATOM 0 HD13 LEU W 461 -1.337 -5.167 -4.219 1.00 0.00 H new ATOM 0 HD21 LEU W 461 0.695 -6.504 -6.112 1.00 0.00 H new ATOM 0 HD22 LEU W 461 0.731 -6.676 -4.341 1.00 0.00 H new ATOM 0 HD23 LEU W 461 0.670 -8.124 -5.374 1.00 0.00 H new ATOM 159 N PRO W 462 -2.109 -9.956 -1.864 1.00 0.00 N ATOM 160 CA PRO W 462 -2.879 -10.594 -0.792 1.00 0.00 C ATOM 161 C PRO W 462 -4.264 -9.972 -0.629 1.00 0.00 C ATOM 162 O PRO W 462 -4.611 -9.018 -1.324 1.00 0.00 O ATOM 163 CB PRO W 462 -2.035 -10.344 0.468 1.00 0.00 C ATOM 164 CG PRO W 462 -0.720 -9.830 -0.019 1.00 0.00 C ATOM 165 CD PRO W 462 -0.997 -9.160 -1.331 1.00 0.00 C ATOM 0 HA PRO W 462 -3.055 -11.650 -0.997 1.00 0.00 H new ATOM 0 HB2 PRO W 462 -2.518 -9.621 1.125 1.00 0.00 H new ATOM 0 HB3 PRO W 462 -1.908 -11.262 1.042 1.00 0.00 H new ATOM 0 HG2 PRO W 462 -0.288 -9.128 0.694 1.00 0.00 H new ATOM 0 HG3 PRO W 462 -0.004 -10.643 -0.140 1.00 0.00 H new ATOM 0 HD2 PRO W 462 -1.272 -8.113 -1.202 1.00 0.00 H new ATOM 0 HD3 PRO W 462 -0.129 -9.183 -1.990 1.00 0.00 H new ATOM 173 N PRO W 463 -5.074 -10.500 0.307 1.00 0.00 N ATOM 174 CA PRO W 463 -6.418 -9.982 0.566 1.00 0.00 C ATOM 175 C PRO W 463 -6.374 -8.632 1.265 1.00 0.00 C ATOM 176 O PRO W 463 -5.775 -8.494 2.332 1.00 0.00 O ATOM 177 CB PRO W 463 -7.040 -11.041 1.476 1.00 0.00 C ATOM 178 CG PRO W 463 -5.882 -11.673 2.167 1.00 0.00 C ATOM 179 CD PRO W 463 -4.735 -11.630 1.193 1.00 0.00 C ATOM 0 HA PRO W 463 -6.983 -9.816 -0.351 1.00 0.00 H new ATOM 0 HB2 PRO W 463 -7.731 -10.593 2.190 1.00 0.00 H new ATOM 0 HB3 PRO W 463 -7.606 -11.774 0.901 1.00 0.00 H new ATOM 0 HG2 PRO W 463 -5.635 -11.136 3.083 1.00 0.00 H new ATOM 0 HG3 PRO W 463 -6.112 -12.700 2.452 1.00 0.00 H new ATOM 0 HD2 PRO W 463 -3.784 -11.470 1.701 1.00 0.00 H new ATOM 0 HD3 PRO W 463 -4.646 -12.563 0.637 1.00 0.00 H new ATOM 187 N GLY W 464 -6.997 -7.634 0.655 1.00 0.00 N ATOM 188 CA GLY W 464 -6.998 -6.307 1.234 1.00 0.00 C ATOM 189 C GLY W 464 -5.720 -5.557 0.917 1.00 0.00 C ATOM 190 O GLY W 464 -5.192 -4.831 1.756 1.00 0.00 O ATOM 0 H GLY W 464 -7.500 -7.719 -0.228 1.00 0.00 H new ATOM 0 HA2 GLY W 464 -7.853 -5.746 0.856 1.00 0.00 H new ATOM 0 HA3 GLY W 464 -7.118 -6.381 2.315 1.00 0.00 H new ATOM 194 N TRP W 465 -5.223 -5.746 -0.303 1.00 0.00 N ATOM 195 CA TRP W 465 -3.993 -5.097 -0.747 1.00 0.00 C ATOM 196 C TRP W 465 -4.139 -4.579 -2.172 1.00 0.00 C ATOM 197 O TRP W 465 -5.053 -4.973 -2.896 1.00 0.00 O ATOM 198 CB TRP W 465 -2.823 -6.079 -0.680 1.00 0.00 C ATOM 199 CG TRP W 465 -2.237 -6.228 0.683 1.00 0.00 C ATOM 200 CD1 TRP W 465 -2.619 -7.108 1.654 1.00 0.00 C ATOM 201 CD2 TRP W 465 -1.151 -5.476 1.221 1.00 0.00 C ATOM 202 NE1 TRP W 465 -1.829 -6.949 2.765 1.00 0.00 N ATOM 203 CE2 TRP W 465 -0.920 -5.952 2.523 1.00 0.00 C ATOM 204 CE3 TRP W 465 -0.347 -4.444 0.726 1.00 0.00 C ATOM 205 CZ2 TRP W 465 0.080 -5.434 3.335 1.00 0.00 C ATOM 206 CZ3 TRP W 465 0.646 -3.930 1.536 1.00 0.00 C ATOM 207 CH2 TRP W 465 0.853 -4.426 2.828 1.00 0.00 C ATOM 0 H TRP W 465 -5.656 -6.347 -1.005 1.00 0.00 H new ATOM 0 HA TRP W 465 -3.798 -4.254 -0.084 1.00 0.00 H new ATOM 0 HB2 TRP W 465 -3.160 -7.055 -1.029 1.00 0.00 H new ATOM 0 HB3 TRP W 465 -2.043 -5.748 -1.366 1.00 0.00 H new ATOM 0 HD1 TRP W 465 -3.423 -7.823 1.562 1.00 0.00 H new ATOM 0 HE1 TRP W 465 -1.906 -7.485 3.629 1.00 0.00 H new ATOM 0 HE3 TRP W 465 -0.500 -4.057 -0.270 1.00 0.00 H new ATOM 0 HZ2 TRP W 465 0.242 -5.814 4.333 1.00 0.00 H new ATOM 0 HZ3 TRP W 465 1.273 -3.132 1.166 1.00 0.00 H new ATOM 0 HH2 TRP W 465 1.639 -4.004 3.437 1.00 0.00 H new ATOM 218 N GLU W 466 -3.235 -3.689 -2.565 1.00 0.00 N ATOM 219 CA GLU W 466 -3.266 -3.108 -3.899 1.00 0.00 C ATOM 220 C GLU W 466 -1.866 -2.717 -4.367 1.00 0.00 C ATOM 221 O GLU W 466 -1.017 -2.335 -3.563 1.00 0.00 O ATOM 222 CB GLU W 466 -4.172 -1.879 -3.907 1.00 0.00 C ATOM 223 CG GLU W 466 -5.539 -2.129 -4.520 1.00 0.00 C ATOM 224 CD GLU W 466 -6.490 -2.819 -3.562 1.00 0.00 C ATOM 225 OE1 GLU W 466 -6.381 -2.576 -2.342 1.00 0.00 O ATOM 226 OE2 GLU W 466 -7.344 -3.600 -4.031 1.00 0.00 O ATOM 0 H GLU W 466 -2.471 -3.355 -1.977 1.00 0.00 H new ATOM 0 HA GLU W 466 -3.657 -3.859 -4.585 1.00 0.00 H new ATOM 0 HB2 GLU W 466 -4.302 -1.528 -2.883 1.00 0.00 H new ATOM 0 HB3 GLU W 466 -3.678 -1.079 -4.458 1.00 0.00 H new ATOM 0 HG2 GLU W 466 -5.971 -1.179 -4.834 1.00 0.00 H new ATOM 0 HG3 GLU W 466 -5.425 -2.739 -5.416 1.00 0.00 H new ATOM 233 N GLU W 467 -1.637 -2.807 -5.674 1.00 0.00 N ATOM 234 CA GLU W 467 -0.344 -2.451 -6.249 1.00 0.00 C ATOM 235 C GLU W 467 -0.359 -1.011 -6.756 1.00 0.00 C ATOM 236 O GLU W 467 -0.906 -0.724 -7.821 1.00 0.00 O ATOM 237 CB GLU W 467 0.013 -3.404 -7.391 1.00 0.00 C ATOM 238 CG GLU W 467 -0.912 -3.290 -8.591 1.00 0.00 C ATOM 239 CD GLU W 467 -1.124 -4.617 -9.293 1.00 0.00 C ATOM 240 OE1 GLU W 467 -0.367 -5.567 -9.007 1.00 0.00 O ATOM 241 OE2 GLU W 467 -2.049 -4.706 -10.128 1.00 0.00 O ATOM 0 H GLU W 467 -2.329 -3.123 -6.354 1.00 0.00 H new ATOM 0 HA GLU W 467 0.412 -2.538 -5.468 1.00 0.00 H new ATOM 0 HB2 GLU W 467 1.036 -3.206 -7.711 1.00 0.00 H new ATOM 0 HB3 GLU W 467 -0.012 -4.428 -7.019 1.00 0.00 H new ATOM 0 HG2 GLU W 467 -1.875 -2.897 -8.266 1.00 0.00 H new ATOM 0 HG3 GLU W 467 -0.497 -2.572 -9.298 1.00 0.00 H new ATOM 248 N ARG W 468 0.243 -0.108 -5.989 1.00 0.00 N ATOM 249 CA ARG W 468 0.297 1.302 -6.363 1.00 0.00 C ATOM 250 C ARG W 468 1.653 1.655 -6.968 1.00 0.00 C ATOM 251 O ARG W 468 2.676 1.079 -6.598 1.00 0.00 O ATOM 252 CB ARG W 468 0.017 2.184 -5.145 1.00 0.00 C ATOM 253 CG ARG W 468 -1.407 2.712 -5.089 1.00 0.00 C ATOM 254 CD ARG W 468 -1.524 4.074 -5.753 1.00 0.00 C ATOM 255 NE ARG W 468 -1.029 4.057 -7.127 1.00 0.00 N ATOM 256 CZ ARG W 468 -1.659 3.453 -8.128 1.00 0.00 C ATOM 257 NH1 ARG W 468 -2.806 2.825 -7.910 1.00 0.00 N ATOM 258 NH2 ARG W 468 -1.143 3.476 -9.349 1.00 0.00 N ATOM 0 H ARG W 468 0.701 -0.327 -5.104 1.00 0.00 H new ATOM 0 HA ARG W 468 -0.470 1.483 -7.116 1.00 0.00 H new ATOM 0 HB2 ARG W 468 0.219 1.613 -4.239 1.00 0.00 H new ATOM 0 HB3 ARG W 468 0.708 3.027 -5.151 1.00 0.00 H new ATOM 0 HG2 ARG W 468 -2.077 2.007 -5.582 1.00 0.00 H new ATOM 0 HG3 ARG W 468 -1.729 2.784 -4.050 1.00 0.00 H new ATOM 0 HD2 ARG W 468 -2.567 4.392 -5.747 1.00 0.00 H new ATOM 0 HD3 ARG W 468 -0.964 4.809 -5.175 1.00 0.00 H new ATOM 0 HE ARG W 468 -0.151 4.535 -7.329 1.00 0.00 H new ATOM 0 HH11 ARG W 468 -3.206 2.805 -6.972 1.00 0.00 H new ATOM 0 HH12 ARG W 468 -3.288 2.362 -8.680 1.00 0.00 H new ATOM 0 HH21 ARG W 468 -0.261 3.958 -9.521 1.00 0.00 H new ATOM 0 HH22 ARG W 468 -1.628 3.012 -10.117 1.00 0.00 H new ATOM 272 N THR W 469 1.653 2.598 -7.905 1.00 0.00 N ATOM 273 CA THR W 469 2.882 3.022 -8.568 1.00 0.00 C ATOM 274 C THR W 469 3.503 4.232 -7.878 1.00 0.00 C ATOM 275 O THR W 469 2.857 5.266 -7.714 1.00 0.00 O ATOM 276 CB THR W 469 2.629 3.366 -10.046 1.00 0.00 C ATOM 277 OG1 THR W 469 1.849 4.564 -10.143 1.00 0.00 O ATOM 278 CG2 THR W 469 1.907 2.228 -10.753 1.00 0.00 C ATOM 0 H THR W 469 0.814 3.084 -8.223 1.00 0.00 H new ATOM 0 HA THR W 469 3.575 2.183 -8.506 1.00 0.00 H new ATOM 0 HB THR W 469 3.594 3.519 -10.530 1.00 0.00 H new ATOM 0 HG1 THR W 469 2.025 5.133 -9.365 1.00 0.00 H new ATOM 0 HG21 THR W 469 1.740 2.496 -11.796 1.00 0.00 H new ATOM 0 HG22 THR W 469 2.515 1.325 -10.703 1.00 0.00 H new ATOM 0 HG23 THR W 469 0.948 2.047 -10.267 1.00 0.00 H new ATOM 286 N HIS W 470 4.765 4.095 -7.479 1.00 0.00 N ATOM 287 CA HIS W 470 5.480 5.177 -6.810 1.00 0.00 C ATOM 288 C HIS W 470 5.964 6.220 -7.816 1.00 0.00 C ATOM 289 O HIS W 470 6.097 5.933 -9.006 1.00 0.00 O ATOM 290 CB HIS W 470 6.667 4.621 -6.022 1.00 0.00 C ATOM 291 CG HIS W 470 7.098 5.501 -4.889 1.00 0.00 C ATOM 292 ND1 HIS W 470 6.377 5.571 -3.722 1.00 0.00 N ATOM 293 CD2 HIS W 470 8.170 6.324 -4.797 1.00 0.00 C ATOM 294 CE1 HIS W 470 7.021 6.428 -2.950 1.00 0.00 C ATOM 295 NE2 HIS W 470 8.115 6.911 -3.558 1.00 0.00 N ATOM 0 H HIS W 470 5.313 3.245 -7.608 1.00 0.00 H new ATOM 0 HA HIS W 470 4.789 5.661 -6.120 1.00 0.00 H new ATOM 0 HB2 HIS W 470 6.404 3.639 -5.629 1.00 0.00 H new ATOM 0 HB3 HIS W 470 7.508 4.478 -6.700 1.00 0.00 H new ATOM 0 HD2 HIS W 470 8.923 6.487 -5.554 1.00 0.00 H new ATOM 0 HE1 HIS W 470 6.706 6.705 -1.955 1.00 0.00 H new ATOM 0 HE2 HIS W 470 8.778 7.584 -3.174 1.00 0.00 H new ATOM 303 N THR W 471 6.224 7.429 -7.328 1.00 0.00 N ATOM 304 CA THR W 471 6.692 8.517 -8.181 1.00 0.00 C ATOM 305 C THR W 471 7.985 8.143 -8.903 1.00 0.00 C ATOM 306 O THR W 471 8.317 8.723 -9.937 1.00 0.00 O ATOM 307 CB THR W 471 6.926 9.805 -7.371 1.00 0.00 C ATOM 308 OG1 THR W 471 5.745 10.144 -6.634 1.00 0.00 O ATOM 309 CG2 THR W 471 7.304 10.960 -8.287 1.00 0.00 C ATOM 0 H THR W 471 6.118 7.681 -6.345 1.00 0.00 H new ATOM 0 HA THR W 471 5.909 8.694 -8.918 1.00 0.00 H new ATOM 0 HB THR W 471 7.748 9.626 -6.678 1.00 0.00 H new ATOM 0 HG1 THR W 471 5.904 10.963 -6.121 1.00 0.00 H new ATOM 0 HG21 THR W 471 7.464 11.859 -7.692 1.00 0.00 H new ATOM 0 HG22 THR W 471 8.219 10.713 -8.825 1.00 0.00 H new ATOM 0 HG23 THR W 471 6.500 11.136 -9.001 1.00 0.00 H new ATOM 317 N ASP W 472 8.710 7.175 -8.352 1.00 0.00 N ATOM 318 CA ASP W 472 9.968 6.731 -8.945 1.00 0.00 C ATOM 319 C ASP W 472 9.738 5.628 -9.980 1.00 0.00 C ATOM 320 O ASP W 472 10.631 5.311 -10.765 1.00 0.00 O ATOM 321 CB ASP W 472 10.919 6.230 -7.857 1.00 0.00 C ATOM 322 CG ASP W 472 11.547 7.365 -7.071 1.00 0.00 C ATOM 323 OD1 ASP W 472 10.826 8.333 -6.746 1.00 0.00 O ATOM 324 OD2 ASP W 472 12.759 7.286 -6.780 1.00 0.00 O ATOM 0 H ASP W 472 8.449 6.683 -7.497 1.00 0.00 H new ATOM 0 HA ASP W 472 10.416 7.586 -9.452 1.00 0.00 H new ATOM 0 HB2 ASP W 472 10.375 5.577 -7.175 1.00 0.00 H new ATOM 0 HB3 ASP W 472 11.705 5.629 -8.314 1.00 0.00 H new ATOM 329 N GLY W 473 8.541 5.046 -9.976 1.00 0.00 N ATOM 330 CA GLY W 473 8.229 3.988 -10.919 1.00 0.00 C ATOM 331 C GLY W 473 8.117 2.630 -10.252 1.00 0.00 C ATOM 332 O GLY W 473 7.529 1.704 -10.812 1.00 0.00 O ATOM 0 H GLY W 473 7.784 5.289 -9.337 1.00 0.00 H new ATOM 0 HA2 GLY W 473 7.291 4.220 -11.423 1.00 0.00 H new ATOM 0 HA3 GLY W 473 9.002 3.950 -11.686 1.00 0.00 H new ATOM 336 N ARG W 474 8.672 2.512 -9.050 1.00 0.00 N ATOM 337 CA ARG W 474 8.621 1.260 -8.306 1.00 0.00 C ATOM 338 C ARG W 474 7.246 1.075 -7.673 1.00 0.00 C ATOM 339 O ARG W 474 6.825 1.877 -6.840 1.00 0.00 O ATOM 340 CB ARG W 474 9.704 1.238 -7.226 1.00 0.00 C ATOM 341 CG ARG W 474 11.119 1.279 -7.780 1.00 0.00 C ATOM 342 CD ARG W 474 12.023 2.159 -6.934 1.00 0.00 C ATOM 343 NE ARG W 474 13.437 1.884 -7.175 1.00 0.00 N ATOM 344 CZ ARG W 474 14.417 2.313 -6.385 1.00 0.00 C ATOM 345 NH1 ARG W 474 14.134 3.032 -5.307 1.00 0.00 N ATOM 346 NH2 ARG W 474 15.679 2.023 -6.670 1.00 0.00 N ATOM 0 H ARG W 474 9.162 3.268 -8.571 1.00 0.00 H new ATOM 0 HA ARG W 474 8.801 0.438 -8.999 1.00 0.00 H new ATOM 0 HB2 ARG W 474 9.559 2.089 -6.561 1.00 0.00 H new ATOM 0 HB3 ARG W 474 9.585 0.338 -6.623 1.00 0.00 H new ATOM 0 HG2 ARG W 474 11.525 0.268 -7.818 1.00 0.00 H new ATOM 0 HG3 ARG W 474 11.099 1.653 -8.804 1.00 0.00 H new ATOM 0 HD2 ARG W 474 11.815 3.207 -7.151 1.00 0.00 H new ATOM 0 HD3 ARG W 474 11.798 2.002 -5.879 1.00 0.00 H new ATOM 0 HE ARG W 474 13.687 1.332 -7.995 1.00 0.00 H new ATOM 0 HH11 ARG W 474 13.164 3.256 -5.084 1.00 0.00 H new ATOM 0 HH12 ARG W 474 14.886 3.361 -4.701 1.00 0.00 H new ATOM 0 HH21 ARG W 474 15.901 1.469 -7.497 1.00 0.00 H new ATOM 0 HH22 ARG W 474 16.428 2.354 -6.062 1.00 0.00 H new ATOM 360 N VAL W 475 6.545 0.020 -8.076 1.00 0.00 N ATOM 361 CA VAL W 475 5.215 -0.252 -7.545 1.00 0.00 C ATOM 362 C VAL W 475 5.290 -0.892 -6.163 1.00 0.00 C ATOM 363 O VAL W 475 5.718 -2.037 -6.018 1.00 0.00 O ATOM 364 CB VAL W 475 4.417 -1.178 -8.485 1.00 0.00 C ATOM 365 CG1 VAL W 475 5.098 -2.548 -8.585 1.00 0.00 C ATOM 366 CG2 VAL W 475 2.957 -1.269 -8.020 1.00 0.00 C ATOM 0 H VAL W 475 6.874 -0.657 -8.765 1.00 0.00 H new ATOM 0 HA VAL W 475 4.704 0.708 -7.467 1.00 0.00 H new ATOM 0 HB VAL W 475 4.405 -0.760 -9.491 1.00 0.00 H new ATOM 0 HG11 VAL W 475 4.524 -3.192 -9.252 1.00 0.00 H new ATOM 0 HG12 VAL W 475 6.107 -2.425 -8.979 1.00 0.00 H new ATOM 0 HG13 VAL W 475 5.148 -3.003 -7.596 1.00 0.00 H new ATOM 0 HG21 VAL W 475 2.402 -1.925 -8.690 1.00 0.00 H new ATOM 0 HG22 VAL W 475 2.922 -1.671 -7.007 1.00 0.00 H new ATOM 0 HG23 VAL W 475 2.509 -0.275 -8.032 1.00 0.00 H new ATOM 376 N PHE W 476 4.865 -0.143 -5.150 1.00 0.00 N ATOM 377 CA PHE W 476 4.874 -0.634 -3.777 1.00 0.00 C ATOM 378 C PHE W 476 3.547 -1.305 -3.432 1.00 0.00 C ATOM 379 O PHE W 476 2.643 -1.374 -4.263 1.00 0.00 O ATOM 380 CB PHE W 476 5.163 0.509 -2.804 1.00 0.00 C ATOM 381 CG PHE W 476 4.113 1.580 -2.810 1.00 0.00 C ATOM 382 CD1 PHE W 476 4.211 2.663 -3.670 1.00 0.00 C ATOM 383 CD2 PHE W 476 3.028 1.504 -1.955 1.00 0.00 C ATOM 384 CE1 PHE W 476 3.243 3.649 -3.675 1.00 0.00 C ATOM 385 CE2 PHE W 476 2.057 2.487 -1.955 1.00 0.00 C ATOM 386 CZ PHE W 476 2.164 3.560 -2.816 1.00 0.00 C ATOM 0 H PHE W 476 4.510 0.807 -5.255 1.00 0.00 H new ATOM 0 HA PHE W 476 5.666 -1.378 -3.686 1.00 0.00 H new ATOM 0 HB2 PHE W 476 5.252 0.104 -1.796 1.00 0.00 H new ATOM 0 HB3 PHE W 476 6.126 0.954 -3.054 1.00 0.00 H new ATOM 0 HD1 PHE W 476 5.053 2.737 -4.343 1.00 0.00 H new ATOM 0 HD2 PHE W 476 2.939 0.666 -1.279 1.00 0.00 H new ATOM 0 HE1 PHE W 476 3.329 4.488 -4.349 1.00 0.00 H new ATOM 0 HE2 PHE W 476 1.215 2.416 -1.282 1.00 0.00 H new ATOM 0 HZ PHE W 476 1.406 4.329 -2.819 1.00 0.00 H new ATOM 396 N PHE W 477 3.436 -1.799 -2.203 1.00 0.00 N ATOM 397 CA PHE W 477 2.217 -2.466 -1.755 1.00 0.00 C ATOM 398 C PHE W 477 1.465 -1.625 -0.728 1.00 0.00 C ATOM 399 O PHE W 477 2.066 -0.853 0.019 1.00 0.00 O ATOM 400 CB PHE W 477 2.553 -3.835 -1.162 1.00 0.00 C ATOM 401 CG PHE W 477 3.248 -4.751 -2.127 1.00 0.00 C ATOM 402 CD1 PHE W 477 4.544 -4.488 -2.541 1.00 0.00 C ATOM 403 CD2 PHE W 477 2.606 -5.877 -2.620 1.00 0.00 C ATOM 404 CE1 PHE W 477 5.187 -5.330 -3.429 1.00 0.00 C ATOM 405 CE2 PHE W 477 3.244 -6.722 -3.508 1.00 0.00 C ATOM 406 CZ PHE W 477 4.536 -6.448 -3.913 1.00 0.00 C ATOM 0 H PHE W 477 4.174 -1.751 -1.500 1.00 0.00 H new ATOM 0 HA PHE W 477 1.570 -2.596 -2.623 1.00 0.00 H new ATOM 0 HB2 PHE W 477 3.185 -3.697 -0.285 1.00 0.00 H new ATOM 0 HB3 PHE W 477 1.633 -4.310 -0.821 1.00 0.00 H new ATOM 0 HD1 PHE W 477 5.058 -3.615 -2.166 1.00 0.00 H new ATOM 0 HD2 PHE W 477 1.596 -6.096 -2.306 1.00 0.00 H new ATOM 0 HE1 PHE W 477 6.197 -5.114 -3.744 1.00 0.00 H new ATOM 0 HE2 PHE W 477 2.733 -7.596 -3.885 1.00 0.00 H new ATOM 0 HZ PHE W 477 5.036 -7.107 -4.607 1.00 0.00 H new ATOM 416 N ILE W 478 0.146 -1.789 -0.693 1.00 0.00 N ATOM 417 CA ILE W 478 -0.698 -1.055 0.246 1.00 0.00 C ATOM 418 C ILE W 478 -1.879 -1.907 0.687 1.00 0.00 C ATOM 419 O ILE W 478 -2.554 -2.510 -0.142 1.00 0.00 O ATOM 420 CB ILE W 478 -1.239 0.248 -0.386 1.00 0.00 C ATOM 421 CG1 ILE W 478 -1.991 1.095 0.651 1.00 0.00 C ATOM 422 CG2 ILE W 478 -2.142 -0.074 -1.564 1.00 0.00 C ATOM 423 CD1 ILE W 478 -2.780 2.254 0.057 1.00 0.00 C ATOM 0 H ILE W 478 -0.363 -2.426 -1.306 1.00 0.00 H new ATOM 0 HA ILE W 478 -0.078 -0.807 1.108 1.00 0.00 H new ATOM 0 HB ILE W 478 -0.389 0.830 -0.743 1.00 0.00 H new ATOM 0 HG12 ILE W 478 -2.675 0.450 1.203 1.00 0.00 H new ATOM 0 HG13 ILE W 478 -1.274 1.490 1.370 1.00 0.00 H new ATOM 0 HG21 ILE W 478 -2.516 0.853 -2.000 1.00 0.00 H new ATOM 0 HG22 ILE W 478 -1.577 -0.626 -2.315 1.00 0.00 H new ATOM 0 HG23 ILE W 478 -2.982 -0.680 -1.224 1.00 0.00 H new ATOM 0 HD11 ILE W 478 -3.281 2.801 0.856 1.00 0.00 H new ATOM 0 HD12 ILE W 478 -2.101 2.924 -0.471 1.00 0.00 H new ATOM 0 HD13 ILE W 478 -3.524 1.868 -0.640 1.00 0.00 H new ATOM 435 N ASN W 479 -2.129 -1.952 1.990 1.00 0.00 N ATOM 436 CA ASN W 479 -3.238 -2.737 2.519 1.00 0.00 C ATOM 437 C ASN W 479 -4.473 -1.863 2.733 1.00 0.00 C ATOM 438 O ASN W 479 -4.374 -0.637 2.789 1.00 0.00 O ATOM 439 CB ASN W 479 -2.829 -3.417 3.829 1.00 0.00 C ATOM 440 CG ASN W 479 -2.753 -2.453 4.997 1.00 0.00 C ATOM 441 OD1 ASN W 479 -2.736 -1.235 4.814 1.00 0.00 O ATOM 442 ND2 ASN W 479 -2.705 -2.995 6.208 1.00 0.00 N ATOM 0 H ASN W 479 -1.583 -1.458 2.696 1.00 0.00 H new ATOM 0 HA ASN W 479 -3.491 -3.506 1.789 1.00 0.00 H new ATOM 0 HB2 ASN W 479 -3.545 -4.206 4.062 1.00 0.00 H new ATOM 0 HB3 ASN W 479 -1.859 -3.896 3.696 1.00 0.00 H new ATOM 0 HD21 ASN W 479 -2.652 -2.397 7.033 1.00 0.00 H new ATOM 0 HD22 ASN W 479 -2.721 -4.009 6.314 1.00 0.00 H new ATOM 449 N HIS W 480 -5.636 -2.501 2.843 1.00 0.00 N ATOM 450 CA HIS W 480 -6.886 -1.774 3.041 1.00 0.00 C ATOM 451 C HIS W 480 -7.590 -2.209 4.326 1.00 0.00 C ATOM 452 O HIS W 480 -8.793 -2.000 4.482 1.00 0.00 O ATOM 453 CB HIS W 480 -7.814 -1.983 1.845 1.00 0.00 C ATOM 454 CG HIS W 480 -7.783 -0.855 0.861 1.00 0.00 C ATOM 455 ND1 HIS W 480 -8.919 -0.152 0.542 1.00 0.00 N ATOM 456 CD2 HIS W 480 -6.737 -0.350 0.162 1.00 0.00 C ATOM 457 CE1 HIS W 480 -8.543 0.760 -0.337 1.00 0.00 C ATOM 458 NE2 HIS W 480 -7.230 0.678 -0.600 1.00 0.00 N ATOM 0 H HIS W 480 -5.738 -3.515 2.799 1.00 0.00 H new ATOM 0 HA HIS W 480 -6.643 -0.715 3.130 1.00 0.00 H new ATOM 0 HB2 HIS W 480 -7.536 -2.906 1.336 1.00 0.00 H new ATOM 0 HB3 HIS W 480 -8.835 -2.112 2.205 1.00 0.00 H new ATOM 0 HD2 HIS W 480 -5.713 -0.691 0.198 1.00 0.00 H new ATOM 0 HE1 HIS W 480 -9.209 1.481 -0.787 1.00 0.00 H new ATOM 0 HE2 HIS W 480 -6.700 1.267 -1.243 1.00 0.00 H new ATOM 466 N ASN W 481 -6.839 -2.808 5.244 1.00 0.00 N ATOM 467 CA ASN W 481 -7.404 -3.258 6.513 1.00 0.00 C ATOM 468 C ASN W 481 -7.295 -2.162 7.566 1.00 0.00 C ATOM 469 O ASN W 481 -8.250 -1.882 8.290 1.00 0.00 O ATOM 470 CB ASN W 481 -6.691 -4.521 7.003 1.00 0.00 C ATOM 471 CG ASN W 481 -6.306 -5.453 5.870 1.00 0.00 C ATOM 472 OD1 ASN W 481 -7.084 -6.319 5.469 1.00 0.00 O ATOM 473 ND2 ASN W 481 -5.100 -5.274 5.348 1.00 0.00 N ATOM 0 H ASN W 481 -5.842 -2.993 5.135 1.00 0.00 H new ATOM 0 HA ASN W 481 -8.457 -3.489 6.351 1.00 0.00 H new ATOM 0 HB2 ASN W 481 -5.795 -4.237 7.554 1.00 0.00 H new ATOM 0 HB3 ASN W 481 -7.339 -5.052 7.700 1.00 0.00 H new ATOM 0 HD21 ASN W 481 -4.783 -5.867 4.581 1.00 0.00 H new ATOM 0 HD22 ASN W 481 -4.490 -4.543 5.713 1.00 0.00 H new ATOM 480 N ILE W 482 -6.122 -1.541 7.638 1.00 0.00 N ATOM 481 CA ILE W 482 -5.877 -0.469 8.592 1.00 0.00 C ATOM 482 C ILE W 482 -5.251 0.733 7.897 1.00 0.00 C ATOM 483 O ILE W 482 -4.509 1.504 8.508 1.00 0.00 O ATOM 484 CB ILE W 482 -4.951 -0.928 9.734 1.00 0.00 C ATOM 485 CG1 ILE W 482 -3.829 -1.810 9.182 1.00 0.00 C ATOM 486 CG2 ILE W 482 -5.747 -1.673 10.797 1.00 0.00 C ATOM 487 CD1 ILE W 482 -2.849 -2.273 10.238 1.00 0.00 C ATOM 0 H ILE W 482 -5.324 -1.764 7.043 1.00 0.00 H new ATOM 0 HA ILE W 482 -6.842 -0.189 9.015 1.00 0.00 H new ATOM 0 HB ILE W 482 -4.503 -0.049 10.197 1.00 0.00 H new ATOM 0 HG12 ILE W 482 -4.268 -2.682 8.698 1.00 0.00 H new ATOM 0 HG13 ILE W 482 -3.288 -1.258 8.413 1.00 0.00 H new ATOM 0 HG21 ILE W 482 -5.078 -1.991 11.597 1.00 0.00 H new ATOM 0 HG22 ILE W 482 -6.514 -1.015 11.205 1.00 0.00 H new ATOM 0 HG23 ILE W 482 -6.220 -2.548 10.351 1.00 0.00 H new ATOM 0 HD11 ILE W 482 -2.082 -2.893 9.775 1.00 0.00 H new ATOM 0 HD12 ILE W 482 -2.382 -1.406 10.706 1.00 0.00 H new ATOM 0 HD13 ILE W 482 -3.377 -2.853 10.995 1.00 0.00 H new ATOM 499 N LYS W 483 -5.558 0.885 6.611 1.00 0.00 N ATOM 500 CA LYS W 483 -5.033 1.989 5.812 1.00 0.00 C ATOM 501 C LYS W 483 -3.542 2.199 6.061 1.00 0.00 C ATOM 502 O LYS W 483 -3.146 3.067 6.838 1.00 0.00 O ATOM 503 CB LYS W 483 -5.800 3.276 6.121 1.00 0.00 C ATOM 504 CG LYS W 483 -7.291 3.178 5.839 1.00 0.00 C ATOM 505 CD LYS W 483 -7.979 2.220 6.799 1.00 0.00 C ATOM 506 CE LYS W 483 -9.465 2.517 6.914 1.00 0.00 C ATOM 507 NZ LYS W 483 -10.087 2.769 5.585 1.00 0.00 N ATOM 0 H LYS W 483 -6.172 0.253 6.097 1.00 0.00 H new ATOM 0 HA LYS W 483 -5.167 1.732 4.761 1.00 0.00 H new ATOM 0 HB2 LYS W 483 -5.653 3.534 7.170 1.00 0.00 H new ATOM 0 HB3 LYS W 483 -5.380 4.090 5.531 1.00 0.00 H new ATOM 0 HG2 LYS W 483 -7.744 4.166 5.923 1.00 0.00 H new ATOM 0 HG3 LYS W 483 -7.447 2.842 4.814 1.00 0.00 H new ATOM 0 HD2 LYS W 483 -7.837 1.195 6.456 1.00 0.00 H new ATOM 0 HD3 LYS W 483 -7.515 2.294 7.783 1.00 0.00 H new ATOM 0 HE2 LYS W 483 -9.966 1.678 7.396 1.00 0.00 H new ATOM 0 HE3 LYS W 483 -9.613 3.387 7.554 1.00 0.00 H new ATOM 0 HZ1 LYS W 483 -11.121 2.698 5.667 1.00 0.00 H new ATOM 0 HZ2 LYS W 483 -9.830 3.722 5.256 1.00 0.00 H new ATOM 0 HZ3 LYS W 483 -9.745 2.063 4.902 1.00 0.00 H new ATOM 521 N LYS W 484 -2.720 1.398 5.390 1.00 0.00 N ATOM 522 CA LYS W 484 -1.273 1.493 5.532 1.00 0.00 C ATOM 523 C LYS W 484 -0.571 1.046 4.253 1.00 0.00 C ATOM 524 O LYS W 484 -1.187 0.446 3.371 1.00 0.00 O ATOM 525 CB LYS W 484 -0.795 0.646 6.712 1.00 0.00 C ATOM 526 CG LYS W 484 0.140 1.388 7.653 1.00 0.00 C ATOM 527 CD LYS W 484 0.526 0.530 8.847 1.00 0.00 C ATOM 528 CE LYS W 484 1.901 -0.093 8.663 1.00 0.00 C ATOM 529 NZ LYS W 484 2.925 0.559 9.526 1.00 0.00 N ATOM 0 H LYS W 484 -3.033 0.675 4.742 1.00 0.00 H new ATOM 0 HA LYS W 484 -1.021 2.537 5.720 1.00 0.00 H new ATOM 0 HB2 LYS W 484 -1.662 0.298 7.274 1.00 0.00 H new ATOM 0 HB3 LYS W 484 -0.286 -0.239 6.331 1.00 0.00 H new ATOM 0 HG2 LYS W 484 1.038 1.687 7.113 1.00 0.00 H new ATOM 0 HG3 LYS W 484 -0.342 2.302 8.001 1.00 0.00 H new ATOM 0 HD2 LYS W 484 0.519 1.138 9.751 1.00 0.00 H new ATOM 0 HD3 LYS W 484 -0.216 -0.257 8.986 1.00 0.00 H new ATOM 0 HE2 LYS W 484 1.852 -1.156 8.897 1.00 0.00 H new ATOM 0 HE3 LYS W 484 2.200 -0.010 7.618 1.00 0.00 H new ATOM 0 HZ1 LYS W 484 3.848 0.106 9.372 1.00 0.00 H new ATOM 0 HZ2 LYS W 484 2.990 1.569 9.285 1.00 0.00 H new ATOM 0 HZ3 LYS W 484 2.653 0.458 10.525 1.00 0.00 H new ATOM 543 N THR W 485 0.721 1.341 4.161 1.00 0.00 N ATOM 544 CA THR W 485 1.510 0.970 2.993 1.00 0.00 C ATOM 545 C THR W 485 2.938 0.608 3.392 1.00 0.00 C ATOM 546 O THR W 485 3.381 0.926 4.496 1.00 0.00 O ATOM 547 CB THR W 485 1.550 2.111 1.960 1.00 0.00 C ATOM 548 OG1 THR W 485 2.643 1.916 1.056 1.00 0.00 O ATOM 549 CG2 THR W 485 1.690 3.461 2.648 1.00 0.00 C ATOM 0 H THR W 485 1.244 1.837 4.883 1.00 0.00 H new ATOM 0 HA THR W 485 1.029 0.101 2.544 1.00 0.00 H new ATOM 0 HB THR W 485 0.612 2.100 1.404 1.00 0.00 H new ATOM 0 HG1 THR W 485 2.329 2.026 0.134 1.00 0.00 H new ATOM 0 HG21 THR W 485 1.716 4.251 1.897 1.00 0.00 H new ATOM 0 HG22 THR W 485 0.841 3.620 3.313 1.00 0.00 H new ATOM 0 HG23 THR W 485 2.613 3.480 3.227 1.00 0.00 H new ATOM 557 N GLN W 486 3.653 -0.062 2.494 1.00 0.00 N ATOM 558 CA GLN W 486 5.026 -0.469 2.766 1.00 0.00 C ATOM 559 C GLN W 486 5.789 -0.729 1.472 1.00 0.00 C ATOM 560 O GLN W 486 5.224 -1.206 0.489 1.00 0.00 O ATOM 561 CB GLN W 486 5.032 -1.727 3.631 1.00 0.00 C ATOM 562 CG GLN W 486 3.999 -2.753 3.200 1.00 0.00 C ATOM 563 CD GLN W 486 4.345 -4.154 3.655 1.00 0.00 C ATOM 564 OE1 GLN W 486 3.863 -4.624 4.686 1.00 0.00 O ATOM 565 NE2 GLN W 486 5.185 -4.831 2.885 1.00 0.00 N ATOM 0 H GLN W 486 3.305 -0.334 1.574 1.00 0.00 H new ATOM 0 HA GLN W 486 5.522 0.343 3.298 1.00 0.00 H new ATOM 0 HB2 GLN W 486 6.022 -2.181 3.595 1.00 0.00 H new ATOM 0 HB3 GLN W 486 4.847 -1.448 4.668 1.00 0.00 H new ATOM 0 HG2 GLN W 486 3.025 -2.474 3.603 1.00 0.00 H new ATOM 0 HG3 GLN W 486 3.910 -2.739 2.114 1.00 0.00 H new ATOM 0 HE21 GLN W 486 5.560 -4.402 2.039 1.00 0.00 H new ATOM 0 HE22 GLN W 486 5.456 -5.781 3.138 1.00 0.00 H new ATOM 574 N TRP W 487 7.079 -0.412 1.484 1.00 0.00 N ATOM 575 CA TRP W 487 7.932 -0.609 0.318 1.00 0.00 C ATOM 576 C TRP W 487 8.206 -2.093 0.089 1.00 0.00 C ATOM 577 O TRP W 487 8.266 -2.555 -1.050 1.00 0.00 O ATOM 578 CB TRP W 487 9.254 0.137 0.501 1.00 0.00 C ATOM 579 CG TRP W 487 9.303 1.456 -0.207 1.00 0.00 C ATOM 580 CD1 TRP W 487 9.629 2.665 0.337 1.00 0.00 C ATOM 581 CD2 TRP W 487 9.022 1.699 -1.590 1.00 0.00 C ATOM 582 NE1 TRP W 487 9.566 3.646 -0.624 1.00 0.00 N ATOM 583 CE2 TRP W 487 9.196 3.079 -1.814 1.00 0.00 C ATOM 584 CE3 TRP W 487 8.640 0.886 -2.661 1.00 0.00 C ATOM 585 CZ2 TRP W 487 9.001 3.660 -3.065 1.00 0.00 C ATOM 586 CZ3 TRP W 487 8.448 1.464 -3.902 1.00 0.00 C ATOM 587 CH2 TRP W 487 8.628 2.839 -4.095 1.00 0.00 C ATOM 0 H TRP W 487 7.559 -0.016 2.292 1.00 0.00 H new ATOM 0 HA TRP W 487 7.412 -0.213 -0.554 1.00 0.00 H new ATOM 0 HB2 TRP W 487 9.425 0.299 1.565 1.00 0.00 H new ATOM 0 HB3 TRP W 487 10.068 -0.490 0.139 1.00 0.00 H new ATOM 0 HD1 TRP W 487 9.897 2.827 1.371 1.00 0.00 H new ATOM 0 HE1 TRP W 487 9.763 4.636 -0.475 1.00 0.00 H new ATOM 0 HE3 TRP W 487 8.497 -0.175 -2.521 1.00 0.00 H new ATOM 0 HZ2 TRP W 487 9.139 4.720 -3.217 1.00 0.00 H new ATOM 0 HZ3 TRP W 487 8.154 0.845 -4.737 1.00 0.00 H new ATOM 0 HH2 TRP W 487 8.469 3.261 -5.077 1.00 0.00 H new ATOM 598 N GLU W 488 8.382 -2.829 1.181 1.00 0.00 N ATOM 599 CA GLU W 488 8.662 -4.259 1.109 1.00 0.00 C ATOM 600 C GLU W 488 7.516 -5.020 0.449 1.00 0.00 C ATOM 601 O GLU W 488 6.445 -4.464 0.203 1.00 0.00 O ATOM 602 CB GLU W 488 8.918 -4.818 2.509 1.00 0.00 C ATOM 603 CG GLU W 488 10.133 -5.729 2.588 1.00 0.00 C ATOM 604 CD GLU W 488 11.032 -5.403 3.764 1.00 0.00 C ATOM 605 OE1 GLU W 488 11.792 -4.417 3.676 1.00 0.00 O ATOM 606 OE2 GLU W 488 10.975 -6.135 4.775 1.00 0.00 O ATOM 0 H GLU W 488 8.336 -2.458 2.130 1.00 0.00 H new ATOM 0 HA GLU W 488 9.554 -4.392 0.497 1.00 0.00 H new ATOM 0 HB2 GLU W 488 9.050 -3.989 3.204 1.00 0.00 H new ATOM 0 HB3 GLU W 488 8.038 -5.371 2.837 1.00 0.00 H new ATOM 0 HG2 GLU W 488 9.801 -6.764 2.665 1.00 0.00 H new ATOM 0 HG3 GLU W 488 10.705 -5.646 1.664 1.00 0.00 H new ATOM 613 N ASP W 489 7.754 -6.297 0.165 1.00 0.00 N ATOM 614 CA ASP W 489 6.750 -7.146 -0.464 1.00 0.00 C ATOM 615 C ASP W 489 6.048 -8.022 0.575 1.00 0.00 C ATOM 616 O ASP W 489 6.614 -9.009 1.046 1.00 0.00 O ATOM 617 CB ASP W 489 7.399 -8.031 -1.530 1.00 0.00 C ATOM 618 CG ASP W 489 8.141 -7.225 -2.578 1.00 0.00 C ATOM 619 OD1 ASP W 489 9.024 -6.426 -2.199 1.00 0.00 O ATOM 620 OD2 ASP W 489 7.840 -7.393 -3.779 1.00 0.00 O ATOM 0 H ASP W 489 8.637 -6.767 0.362 1.00 0.00 H new ATOM 0 HA ASP W 489 6.008 -6.501 -0.934 1.00 0.00 H new ATOM 0 HB2 ASP W 489 8.091 -8.723 -1.051 1.00 0.00 H new ATOM 0 HB3 ASP W 489 6.631 -8.633 -2.015 1.00 0.00 H new ATOM 625 N PRO W 490 4.804 -7.675 0.950 1.00 0.00 N ATOM 626 CA PRO W 490 4.038 -8.440 1.939 1.00 0.00 C ATOM 627 C PRO W 490 3.669 -9.831 1.433 1.00 0.00 C ATOM 628 O PRO W 490 3.660 -10.797 2.195 1.00 0.00 O ATOM 629 CB PRO W 490 2.778 -7.597 2.153 1.00 0.00 C ATOM 630 CG PRO W 490 2.647 -6.781 0.914 1.00 0.00 C ATOM 631 CD PRO W 490 4.049 -6.516 0.442 1.00 0.00 C ATOM 0 HA PRO W 490 4.609 -8.609 2.852 1.00 0.00 H new ATOM 0 HB2 PRO W 490 1.902 -8.228 2.305 1.00 0.00 H new ATOM 0 HB3 PRO W 490 2.872 -6.964 3.035 1.00 0.00 H new ATOM 0 HG2 PRO W 490 2.074 -7.314 0.155 1.00 0.00 H new ATOM 0 HG3 PRO W 490 2.120 -5.848 1.115 1.00 0.00 H new ATOM 0 HD2 PRO W 490 4.101 -6.447 -0.645 1.00 0.00 H new ATOM 0 HD3 PRO W 490 4.437 -5.578 0.840 1.00 0.00 H new ATOM 639 N ARG W 491 3.364 -9.924 0.143 1.00 0.00 N ATOM 640 CA ARG W 491 2.994 -11.197 -0.464 1.00 0.00 C ATOM 641 C ARG W 491 4.210 -12.105 -0.648 1.00 0.00 C ATOM 642 O ARG W 491 4.065 -13.300 -0.906 1.00 0.00 O ATOM 643 CB ARG W 491 2.308 -10.965 -1.812 1.00 0.00 C ATOM 644 CG ARG W 491 3.048 -9.992 -2.714 1.00 0.00 C ATOM 645 CD ARG W 491 2.692 -10.207 -4.177 1.00 0.00 C ATOM 646 NE ARG W 491 2.973 -11.572 -4.614 1.00 0.00 N ATOM 647 CZ ARG W 491 2.412 -12.134 -5.679 1.00 0.00 C ATOM 648 NH1 ARG W 491 1.545 -11.450 -6.414 1.00 0.00 N ATOM 649 NH2 ARG W 491 2.717 -13.381 -6.012 1.00 0.00 N ATOM 0 H ARG W 491 3.366 -9.134 -0.502 1.00 0.00 H new ATOM 0 HA ARG W 491 2.299 -11.695 0.212 1.00 0.00 H new ATOM 0 HB2 ARG W 491 2.207 -11.920 -2.328 1.00 0.00 H new ATOM 0 HB3 ARG W 491 1.300 -10.589 -1.637 1.00 0.00 H new ATOM 0 HG2 ARG W 491 2.804 -8.970 -2.426 1.00 0.00 H new ATOM 0 HG3 ARG W 491 4.123 -10.114 -2.578 1.00 0.00 H new ATOM 0 HD2 ARG W 491 1.635 -9.988 -4.329 1.00 0.00 H new ATOM 0 HD3 ARG W 491 3.254 -9.506 -4.794 1.00 0.00 H new ATOM 0 HE ARG W 491 3.637 -12.124 -4.071 1.00 0.00 H new ATOM 0 HH11 ARG W 491 1.308 -10.491 -6.162 1.00 0.00 H new ATOM 0 HH12 ARG W 491 1.116 -11.884 -7.231 1.00 0.00 H new ATOM 0 HH21 ARG W 491 3.383 -13.910 -5.450 1.00 0.00 H new ATOM 0 HH22 ARG W 491 2.285 -13.811 -6.830 1.00 0.00 H new ATOM 900 N PRO B 614 7.566 5.209 4.597 1.00 0.00 N ATOM 901 CA PRO B 614 6.662 4.469 3.709 1.00 0.00 C ATOM 902 C PRO B 614 6.112 5.344 2.584 1.00 0.00 C ATOM 903 O PRO B 614 6.007 6.562 2.728 1.00 0.00 O ATOM 904 CB PRO B 614 5.531 4.023 4.639 1.00 0.00 C ATOM 905 CG PRO B 614 6.143 3.999 5.997 1.00 0.00 C ATOM 906 CD PRO B 614 7.157 5.107 6.010 1.00 0.00 C ATOM 0 HA PRO B 614 7.169 3.644 3.209 1.00 0.00 H new ATOM 0 HB2 PRO B 614 4.689 4.713 4.597 1.00 0.00 H new ATOM 0 HB3 PRO B 614 5.152 3.040 4.358 1.00 0.00 H new ATOM 0 HG2 PRO B 614 5.388 4.151 6.769 1.00 0.00 H new ATOM 0 HG3 PRO B 614 6.614 3.036 6.197 1.00 0.00 H new ATOM 0 HD2 PRO B 614 6.728 6.041 6.373 1.00 0.00 H new ATOM 0 HD3 PRO B 614 8.002 4.872 6.657 1.00 0.00 H new ATOM 914 N PRO B 615 5.751 4.729 1.444 1.00 0.00 N ATOM 915 CA PRO B 615 5.209 5.460 0.292 1.00 0.00 C ATOM 916 C PRO B 615 3.988 6.296 0.662 1.00 0.00 C ATOM 917 O PRO B 615 3.639 6.414 1.836 1.00 0.00 O ATOM 918 CB PRO B 615 4.820 4.348 -0.688 1.00 0.00 C ATOM 919 CG PRO B 615 5.663 3.183 -0.301 1.00 0.00 C ATOM 920 CD PRO B 615 5.842 3.281 1.188 1.00 0.00 C ATOM 0 HA PRO B 615 5.929 6.170 -0.115 1.00 0.00 H new ATOM 0 HB2 PRO B 615 3.759 4.110 -0.614 1.00 0.00 H new ATOM 0 HB3 PRO B 615 5.008 4.647 -1.719 1.00 0.00 H new ATOM 0 HG2 PRO B 615 5.182 2.244 -0.576 1.00 0.00 H new ATOM 0 HG3 PRO B 615 6.625 3.210 -0.813 1.00 0.00 H new ATOM 0 HD2 PRO B 615 5.070 2.728 1.723 1.00 0.00 H new ATOM 0 HD3 PRO B 615 6.803 2.876 1.506 1.00 0.00 H new ATOM 928 N PRO B 616 3.317 6.891 -0.341 1.00 0.00 N ATOM 929 CA PRO B 616 2.129 7.719 -0.112 1.00 0.00 C ATOM 930 C PRO B 616 1.050 6.978 0.670 1.00 0.00 C ATOM 931 O PRO B 616 0.553 5.941 0.231 1.00 0.00 O ATOM 932 CB PRO B 616 1.637 8.046 -1.525 1.00 0.00 C ATOM 933 CG PRO B 616 2.835 7.890 -2.395 1.00 0.00 C ATOM 934 CD PRO B 616 3.664 6.802 -1.771 1.00 0.00 C ATOM 0 HA PRO B 616 2.359 8.602 0.485 1.00 0.00 H new ATOM 0 HB2 PRO B 616 0.837 7.372 -1.830 1.00 0.00 H new ATOM 0 HB3 PRO B 616 1.238 9.059 -1.580 1.00 0.00 H new ATOM 0 HG2 PRO B 616 2.546 7.625 -3.412 1.00 0.00 H new ATOM 0 HG3 PRO B 616 3.397 8.822 -2.456 1.00 0.00 H new ATOM 0 HD2 PRO B 616 3.420 5.823 -2.184 1.00 0.00 H new ATOM 0 HD3 PRO B 616 4.729 6.962 -1.937 1.00 0.00 H new ATOM 942 N ASN B 617 0.692 7.516 1.832 1.00 0.00 N ATOM 943 CA ASN B 617 -0.328 6.905 2.675 1.00 0.00 C ATOM 944 C ASN B 617 -1.657 6.798 1.933 1.00 0.00 C ATOM 945 O ASN B 617 -1.948 7.597 1.043 1.00 0.00 O ATOM 946 CB ASN B 617 -0.510 7.716 3.961 1.00 0.00 C ATOM 947 CG ASN B 617 -0.141 6.924 5.199 1.00 0.00 C ATOM 948 OD1 ASN B 617 0.859 7.209 5.857 1.00 0.00 O ATOM 949 ND2 ASN B 617 -0.948 5.920 5.522 1.00 0.00 N ATOM 0 H ASN B 617 1.094 8.374 2.211 1.00 0.00 H new ATOM 0 HA ASN B 617 0.004 5.899 2.932 1.00 0.00 H new ATOM 0 HB2 ASN B 617 0.105 8.615 3.911 1.00 0.00 H new ATOM 0 HB3 ASN B 617 -1.547 8.043 4.038 1.00 0.00 H new ATOM 0 HD21 ASN B 617 -0.749 5.350 6.344 1.00 0.00 H new ATOM 0 HD22 ASN B 617 -1.767 5.719 4.948 1.00 0.00 H new ATOM 956 N TYR B 618 -2.459 5.804 2.304 1.00 0.00 N ATOM 957 CA TYR B 618 -3.755 5.592 1.671 1.00 0.00 C ATOM 958 C TYR B 618 -4.678 6.781 1.911 1.00 0.00 C ATOM 959 O TYR B 618 -5.468 7.151 1.041 1.00 0.00 O ATOM 960 CB TYR B 618 -4.404 4.314 2.204 1.00 0.00 C ATOM 961 CG TYR B 618 -5.798 4.076 1.667 1.00 0.00 C ATOM 962 CD1 TYR B 618 -6.019 3.905 0.307 1.00 0.00 C ATOM 963 CD2 TYR B 618 -6.894 4.026 2.521 1.00 0.00 C ATOM 964 CE1 TYR B 618 -7.291 3.690 -0.189 1.00 0.00 C ATOM 965 CE2 TYR B 618 -8.169 3.810 2.033 1.00 0.00 C ATOM 966 CZ TYR B 618 -8.362 3.644 0.678 1.00 0.00 C ATOM 967 OH TYR B 618 -9.630 3.429 0.189 1.00 0.00 O ATOM 0 H TYR B 618 -2.234 5.134 3.039 1.00 0.00 H new ATOM 0 HA TYR B 618 -3.594 5.490 0.598 1.00 0.00 H new ATOM 0 HB2 TYR B 618 -3.774 3.462 1.948 1.00 0.00 H new ATOM 0 HB3 TYR B 618 -4.446 4.364 3.292 1.00 0.00 H new ATOM 0 HD1 TYR B 618 -5.182 3.941 -0.375 1.00 0.00 H new ATOM 0 HD2 TYR B 618 -6.747 4.158 3.583 1.00 0.00 H new ATOM 0 HE1 TYR B 618 -7.445 3.559 -1.250 1.00 0.00 H new ATOM 0 HE2 TYR B 618 -9.010 3.771 2.710 1.00 0.00 H new ATOM 0 HH TYR B 618 -10.270 3.424 0.931 1.00 0.00 H new ATOM 977 N ASP B 619 -4.573 7.380 3.092 1.00 0.00 N ATOM 978 CA ASP B 619 -5.399 8.530 3.439 1.00 0.00 C ATOM 979 C ASP B 619 -5.078 9.716 2.534 1.00 0.00 C ATOM 980 O ASP B 619 -5.914 10.594 2.325 1.00 0.00 O ATOM 981 CB ASP B 619 -5.187 8.917 4.904 1.00 0.00 C ATOM 982 CG ASP B 619 -6.279 9.832 5.422 1.00 0.00 C ATOM 983 OD1 ASP B 619 -6.504 10.896 4.807 1.00 0.00 O ATOM 984 OD2 ASP B 619 -6.911 9.484 6.441 1.00 0.00 O ATOM 0 H ASP B 619 -3.925 7.089 3.824 1.00 0.00 H new ATOM 0 HA ASP B 619 -6.444 8.255 3.295 1.00 0.00 H new ATOM 0 HB2 ASP B 619 -5.153 8.015 5.514 1.00 0.00 H new ATOM 0 HB3 ASP B 619 -4.221 9.411 5.011 1.00 0.00 H new ATOM 989 N SER B 620 -3.862 9.730 1.996 1.00 0.00 N ATOM 990 CA SER B 620 -3.431 10.803 1.108 1.00 0.00 C ATOM 991 C SER B 620 -3.582 10.394 -0.354 1.00 0.00 C ATOM 992 O SER B 620 -3.697 11.242 -1.238 1.00 0.00 O ATOM 993 CB SER B 620 -1.975 11.177 1.398 1.00 0.00 C ATOM 994 OG SER B 620 -1.871 12.519 1.842 1.00 0.00 O ATOM 0 H SER B 620 -3.158 9.010 2.160 1.00 0.00 H new ATOM 0 HA SER B 620 -4.066 11.670 1.290 1.00 0.00 H new ATOM 0 HB2 SER B 620 -1.569 10.507 2.156 1.00 0.00 H new ATOM 0 HB3 SER B 620 -1.375 11.041 0.498 1.00 0.00 H new ATOM 0 HG SER B 620 -0.932 12.732 2.022 1.00 0.00 H new ATOM 1000 N LEU B 621 -3.582 9.086 -0.602 1.00 0.00 N ATOM 1001 CA LEU B 621 -3.720 8.565 -1.957 1.00 0.00 C ATOM 1002 C LEU B 621 -5.149 8.734 -2.463 1.00 0.00 C ATOM 1003 O LEU B 621 -5.591 7.898 -3.278 1.00 0.00 O ATOM 1004 CB LEU B 621 -3.327 7.087 -1.998 1.00 0.00 C ATOM 1005 CG LEU B 621 -1.842 6.816 -2.238 1.00 0.00 C ATOM 1006 CD1 LEU B 621 -1.541 5.332 -2.088 1.00 0.00 C ATOM 1007 CD2 LEU B 621 -1.426 7.311 -3.616 1.00 0.00 C ATOM 1008 OXT LEU B 621 -5.815 9.704 -2.040 1.00 0.00 O ATOM 0 H LEU B 621 -3.488 8.369 0.118 1.00 0.00 H new ATOM 0 HA LEU B 621 -3.053 9.132 -2.607 1.00 0.00 H new ATOM 0 HB2 LEU B 621 -3.617 6.624 -1.055 1.00 0.00 H new ATOM 0 HB3 LEU B 621 -3.901 6.596 -2.784 1.00 0.00 H new ATOM 0 HG LEU B 621 -1.266 7.360 -1.490 1.00 0.00 H new ATOM 0 HD11 LEU B 621 -0.479 5.157 -2.262 1.00 0.00 H new ATOM 0 HD12 LEU B 621 -1.802 5.008 -1.081 1.00 0.00 H new ATOM 0 HD13 LEU B 621 -2.126 4.767 -2.814 1.00 0.00 H new ATOM 0 HD21 LEU B 621 -0.366 7.110 -3.770 1.00 0.00 H new ATOM 0 HD22 LEU B 621 -2.008 6.794 -4.379 1.00 0.00 H new ATOM 0 HD23 LEU B 621 -1.606 8.384 -3.687 1.00 0.00 H new