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= -1.57 K(o=-2.1,f=-4.3!) USER MOD Set 1.2: W 481 ASN :FLIP amide:sc= -0.481 F(o=-3.7,f=-2.1) USER MOD Single : B 617 ASN : amide:sc= -0.786 K(o=-0.79,f=-2.4!) 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= 0.0723 USER MOD Single : W 470 HIS : no HD1:sc= -4.23 X(o=-4.2,f=-4.4!) USER MOD Single : W 471 THR OG1 : rot 180:sc= 0.0782 USER MOD Single : W 480 HIS : no HD1:sc= 0 X(o=0,f=-0.14) 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 157:sc= -0.266 USER MOD Single : W 486 GLN :FLIP amide:sc= -0.205 F(o=-0.72,f=-0.2) USER MOD ----------------------------------------------------------------- ATOM 126 N PRO W 460 -2.439 -12.406 -7.229 1.00 0.00 N ATOM 127 CA PRO W 460 -2.435 -10.940 -7.285 1.00 0.00 C ATOM 128 C PRO W 460 -2.510 -10.304 -5.904 1.00 0.00 C ATOM 129 O PRO W 460 -3.557 -9.804 -5.492 1.00 0.00 O ATOM 130 CB PRO W 460 -3.690 -10.606 -8.097 1.00 0.00 C ATOM 131 CG PRO W 460 -4.572 -11.794 -7.936 1.00 0.00 C ATOM 132 CD PRO W 460 -3.652 -12.978 -7.837 1.00 0.00 C ATOM 0 HA PRO W 460 -1.514 -10.556 -7.724 1.00 0.00 H new ATOM 0 HB2 PRO W 460 -4.172 -9.702 -7.726 1.00 0.00 H new ATOM 0 HB3 PRO W 460 -3.448 -10.431 -9.145 1.00 0.00 H new ATOM 0 HG2 PRO W 460 -5.190 -11.704 -7.043 1.00 0.00 H new ATOM 0 HG3 PRO W 460 -5.250 -11.895 -8.784 1.00 0.00 H new ATOM 0 HD2 PRO W 460 -4.078 -13.769 -7.220 1.00 0.00 H new ATOM 0 HD3 PRO W 460 -3.447 -13.412 -8.815 1.00 0.00 H new ATOM 140 N LEU W 461 -1.384 -10.317 -5.200 1.00 0.00 N ATOM 141 CA LEU W 461 -1.303 -9.732 -3.867 1.00 0.00 C ATOM 142 C LEU W 461 -2.326 -10.358 -2.921 1.00 0.00 C ATOM 143 O LEU W 461 -3.321 -10.935 -3.360 1.00 0.00 O ATOM 144 CB LEU W 461 -1.510 -8.219 -3.945 1.00 0.00 C ATOM 145 CG LEU W 461 -0.646 -7.502 -4.987 1.00 0.00 C ATOM 146 CD1 LEU W 461 -1.158 -7.774 -6.391 1.00 0.00 C ATOM 147 CD2 LEU W 461 -0.606 -6.007 -4.712 1.00 0.00 C ATOM 0 H LEU W 461 -0.511 -10.728 -5.532 1.00 0.00 H new ATOM 0 HA LEU W 461 -0.310 -9.938 -3.468 1.00 0.00 H new ATOM 0 HB2 LEU W 461 -2.559 -8.022 -4.166 1.00 0.00 H new ATOM 0 HB3 LEU W 461 -1.304 -7.788 -2.965 1.00 0.00 H new ATOM 0 HG LEU W 461 0.369 -7.892 -4.914 1.00 0.00 H new ATOM 0 HD11 LEU W 461 -0.529 -7.255 -7.114 1.00 0.00 H new ATOM 0 HD12 LEU W 461 -1.129 -8.846 -6.588 1.00 0.00 H new ATOM 0 HD13 LEU W 461 -2.184 -7.417 -6.480 1.00 0.00 H new ATOM 0 HD21 LEU W 461 0.013 -5.515 -5.463 1.00 0.00 H new ATOM 0 HD22 LEU W 461 -1.617 -5.602 -4.753 1.00 0.00 H new ATOM 0 HD23 LEU W 461 -0.185 -5.830 -3.722 1.00 0.00 H new ATOM 159 N PRO W 462 -2.091 -10.252 -1.601 1.00 0.00 N ATOM 160 CA PRO W 462 -2.990 -10.810 -0.586 1.00 0.00 C ATOM 161 C PRO W 462 -4.332 -10.082 -0.542 1.00 0.00 C ATOM 162 O PRO W 462 -4.544 -9.114 -1.271 1.00 0.00 O ATOM 163 CB PRO W 462 -2.230 -10.605 0.735 1.00 0.00 C ATOM 164 CG PRO W 462 -0.832 -10.260 0.343 1.00 0.00 C ATOM 165 CD PRO W 462 -0.933 -9.586 -0.992 1.00 0.00 C ATOM 0 HA PRO W 462 -3.231 -11.853 -0.792 1.00 0.00 H new ATOM 0 HB2 PRO W 462 -2.680 -9.807 1.326 1.00 0.00 H new ATOM 0 HB3 PRO W 462 -2.255 -11.507 1.346 1.00 0.00 H new ATOM 0 HG2 PRO W 462 -0.371 -9.601 1.079 1.00 0.00 H new ATOM 0 HG3 PRO W 462 -0.211 -11.154 0.283 1.00 0.00 H new ATOM 0 HD2 PRO W 462 -1.089 -8.512 -0.893 1.00 0.00 H new ATOM 0 HD3 PRO W 462 -0.029 -9.723 -1.585 1.00 0.00 H new ATOM 173 N PRO W 463 -5.259 -10.540 0.318 1.00 0.00 N ATOM 174 CA PRO W 463 -6.582 -9.922 0.450 1.00 0.00 C ATOM 175 C PRO W 463 -6.509 -8.535 1.080 1.00 0.00 C ATOM 176 O PRO W 463 -5.846 -8.341 2.099 1.00 0.00 O ATOM 177 CB PRO W 463 -7.339 -10.890 1.363 1.00 0.00 C ATOM 178 CG PRO W 463 -6.278 -11.586 2.143 1.00 0.00 C ATOM 179 CD PRO W 463 -5.090 -11.689 1.228 1.00 0.00 C ATOM 0 HA PRO W 463 -7.061 -9.770 -0.517 1.00 0.00 H new ATOM 0 HB2 PRO W 463 -8.028 -10.358 2.019 1.00 0.00 H new ATOM 0 HB3 PRO W 463 -7.933 -11.597 0.784 1.00 0.00 H new ATOM 0 HG2 PRO W 463 -6.028 -11.028 3.045 1.00 0.00 H new ATOM 0 HG3 PRO W 463 -6.612 -12.574 2.461 1.00 0.00 H new ATOM 0 HD2 PRO W 463 -4.152 -11.630 1.780 1.00 0.00 H new ATOM 0 HD3 PRO W 463 -5.082 -12.634 0.685 1.00 0.00 H new ATOM 187 N GLY W 464 -7.189 -7.573 0.465 1.00 0.00 N ATOM 188 CA GLY W 464 -7.181 -6.216 0.980 1.00 0.00 C ATOM 189 C GLY W 464 -5.975 -5.416 0.513 1.00 0.00 C ATOM 190 O GLY W 464 -5.907 -4.206 0.728 1.00 0.00 O ATOM 0 H GLY W 464 -7.745 -7.708 -0.380 1.00 0.00 H new ATOM 0 HA2 GLY W 464 -8.092 -5.708 0.666 1.00 0.00 H new ATOM 0 HA3 GLY W 464 -7.192 -6.246 2.070 1.00 0.00 H new ATOM 194 N TRP W 465 -5.020 -6.091 -0.127 1.00 0.00 N ATOM 195 CA TRP W 465 -3.815 -5.435 -0.621 1.00 0.00 C ATOM 196 C TRP W 465 -3.998 -4.961 -2.058 1.00 0.00 C ATOM 197 O TRP W 465 -4.929 -5.375 -2.749 1.00 0.00 O ATOM 198 CB TRP W 465 -2.626 -6.391 -0.531 1.00 0.00 C ATOM 199 CG TRP W 465 -2.041 -6.478 0.838 1.00 0.00 C ATOM 200 CD1 TRP W 465 -2.438 -7.297 1.854 1.00 0.00 C ATOM 201 CD2 TRP W 465 -0.947 -5.710 1.342 1.00 0.00 C ATOM 202 NE1 TRP W 465 -1.652 -7.087 2.959 1.00 0.00 N ATOM 203 CE2 TRP W 465 -0.730 -6.117 2.668 1.00 0.00 C ATOM 204 CE3 TRP W 465 -0.128 -4.718 0.796 1.00 0.00 C ATOM 205 CZ2 TRP W 465 0.273 -5.566 3.456 1.00 0.00 C ATOM 206 CZ3 TRP W 465 0.868 -4.171 1.581 1.00 0.00 C ATOM 207 CH2 TRP W 465 1.061 -4.598 2.900 1.00 0.00 C ATOM 0 H TRP W 465 -5.060 -7.093 -0.314 1.00 0.00 H new ATOM 0 HA TRP W 465 -3.623 -4.562 0.002 1.00 0.00 H new ATOM 0 HB2 TRP W 465 -2.943 -7.385 -0.847 1.00 0.00 H new ATOM 0 HB3 TRP W 465 -1.854 -6.066 -1.228 1.00 0.00 H new ATOM 0 HD1 TRP W 465 -3.251 -8.006 1.797 1.00 0.00 H new ATOM 0 HE1 TRP W 465 -1.740 -7.574 3.851 1.00 0.00 H new ATOM 0 HE3 TRP W 465 -0.271 -4.385 -0.221 1.00 0.00 H new ATOM 0 HZ2 TRP W 465 0.425 -5.892 4.474 1.00 0.00 H new ATOM 0 HZ3 TRP W 465 1.507 -3.403 1.171 1.00 0.00 H new ATOM 0 HH2 TRP W 465 1.849 -4.153 3.490 1.00 0.00 H new ATOM 218 N GLU W 466 -3.103 -4.084 -2.497 1.00 0.00 N ATOM 219 CA GLU W 466 -3.157 -3.540 -3.847 1.00 0.00 C ATOM 220 C GLU W 466 -1.757 -3.220 -4.353 1.00 0.00 C ATOM 221 O GLU W 466 -0.767 -3.430 -3.649 1.00 0.00 O ATOM 222 CB GLU W 466 -4.023 -2.279 -3.873 1.00 0.00 C ATOM 223 CG GLU W 466 -5.317 -2.444 -4.652 1.00 0.00 C ATOM 224 CD GLU W 466 -6.526 -2.593 -3.750 1.00 0.00 C ATOM 225 OE1 GLU W 466 -6.615 -3.616 -3.039 1.00 0.00 O ATOM 226 OE2 GLU W 466 -7.385 -1.686 -3.753 1.00 0.00 O ATOM 0 H GLU W 466 -2.328 -3.734 -1.934 1.00 0.00 H new ATOM 0 HA GLU W 466 -3.600 -4.290 -4.502 1.00 0.00 H new ATOM 0 HB2 GLU W 466 -4.260 -1.990 -2.849 1.00 0.00 H new ATOM 0 HB3 GLU W 466 -3.448 -1.463 -4.310 1.00 0.00 H new ATOM 0 HG2 GLU W 466 -5.458 -1.581 -5.302 1.00 0.00 H new ATOM 0 HG3 GLU W 466 -5.239 -3.319 -5.297 1.00 0.00 H new ATOM 233 N GLU W 467 -1.679 -2.709 -5.576 1.00 0.00 N ATOM 234 CA GLU W 467 -0.399 -2.360 -6.177 1.00 0.00 C ATOM 235 C GLU W 467 -0.456 -0.969 -6.796 1.00 0.00 C ATOM 236 O GLU W 467 -1.012 -0.780 -7.879 1.00 0.00 O ATOM 237 CB GLU W 467 -0.017 -3.389 -7.240 1.00 0.00 C ATOM 238 CG GLU W 467 -0.974 -3.430 -8.420 1.00 0.00 C ATOM 239 CD GLU W 467 -0.914 -4.743 -9.176 1.00 0.00 C ATOM 240 OE1 GLU W 467 -0.213 -5.665 -8.707 1.00 0.00 O ATOM 241 OE2 GLU W 467 -1.567 -4.850 -10.234 1.00 0.00 O ATOM 0 H GLU W 467 -2.488 -2.527 -6.170 1.00 0.00 H new ATOM 0 HA GLU W 467 0.358 -2.360 -5.393 1.00 0.00 H new ATOM 0 HB2 GLU W 467 0.986 -3.167 -7.604 1.00 0.00 H new ATOM 0 HB3 GLU W 467 0.022 -4.376 -6.780 1.00 0.00 H new ATOM 0 HG2 GLU W 467 -1.991 -3.267 -8.064 1.00 0.00 H new ATOM 0 HG3 GLU W 467 -0.740 -2.612 -9.101 1.00 0.00 H new ATOM 248 N ARG W 468 0.123 0.003 -6.100 1.00 0.00 N ATOM 249 CA ARG W 468 0.140 1.379 -6.576 1.00 0.00 C ATOM 250 C ARG W 468 1.542 1.775 -7.028 1.00 0.00 C ATOM 251 O ARG W 468 2.535 1.379 -6.418 1.00 0.00 O ATOM 252 CB ARG W 468 -0.345 2.325 -5.476 1.00 0.00 C ATOM 253 CG ARG W 468 -1.854 2.505 -5.448 1.00 0.00 C ATOM 254 CD ARG W 468 -2.264 3.854 -6.016 1.00 0.00 C ATOM 255 NE ARG W 468 -1.542 4.174 -7.244 1.00 0.00 N ATOM 256 CZ ARG W 468 -1.697 5.311 -7.913 1.00 0.00 C ATOM 257 NH1 ARG W 468 -2.550 6.229 -7.479 1.00 0.00 N ATOM 258 NH2 ARG W 468 -0.999 5.533 -9.019 1.00 0.00 N ATOM 0 H ARG W 468 0.587 -0.138 -5.203 1.00 0.00 H new ATOM 0 HA ARG W 468 -0.533 1.455 -7.430 1.00 0.00 H new ATOM 0 HB2 ARG W 468 -0.015 1.944 -4.510 1.00 0.00 H new ATOM 0 HB3 ARG W 468 0.126 3.299 -5.612 1.00 0.00 H new ATOM 0 HG2 ARG W 468 -2.327 1.708 -6.022 1.00 0.00 H new ATOM 0 HG3 ARG W 468 -2.213 2.416 -4.423 1.00 0.00 H new ATOM 0 HD2 ARG W 468 -3.336 3.852 -6.216 1.00 0.00 H new ATOM 0 HD3 ARG W 468 -2.079 4.631 -5.274 1.00 0.00 H new ATOM 0 HE ARG W 468 -0.882 3.487 -7.608 1.00 0.00 H new ATOM 0 HH11 ARG W 468 -3.089 6.063 -6.629 1.00 0.00 H new ATOM 0 HH12 ARG W 468 -2.667 7.101 -7.995 1.00 0.00 H new ATOM 0 HH21 ARG W 468 -0.342 4.830 -9.357 1.00 0.00 H new ATOM 0 HH22 ARG W 468 -1.119 6.407 -9.531 1.00 0.00 H new ATOM 272 N THR W 469 1.616 2.551 -8.102 1.00 0.00 N ATOM 273 CA THR W 469 2.899 2.992 -8.638 1.00 0.00 C ATOM 274 C THR W 469 3.433 4.202 -7.879 1.00 0.00 C ATOM 275 O THR W 469 2.741 5.210 -7.729 1.00 0.00 O ATOM 276 CB THR W 469 2.793 3.349 -10.131 1.00 0.00 C ATOM 277 OG1 THR W 469 1.566 4.044 -10.384 1.00 0.00 O ATOM 278 CG2 THR W 469 2.859 2.097 -10.994 1.00 0.00 C ATOM 0 H THR W 469 0.804 2.888 -8.619 1.00 0.00 H new ATOM 0 HA THR W 469 3.589 2.157 -8.517 1.00 0.00 H new ATOM 0 HB THR W 469 3.634 3.993 -10.387 1.00 0.00 H new ATOM 0 HG1 THR W 469 1.508 4.269 -11.336 1.00 0.00 H new ATOM 0 HG21 THR W 469 2.782 2.375 -12.045 1.00 0.00 H new ATOM 0 HG22 THR W 469 3.806 1.586 -10.822 1.00 0.00 H new ATOM 0 HG23 THR W 469 2.036 1.432 -10.734 1.00 0.00 H new ATOM 286 N HIS W 470 4.672 4.097 -7.409 1.00 0.00 N ATOM 287 CA HIS W 470 5.308 5.183 -6.672 1.00 0.00 C ATOM 288 C HIS W 470 5.802 6.268 -7.625 1.00 0.00 C ATOM 289 O HIS W 470 5.944 6.036 -8.825 1.00 0.00 O ATOM 290 CB HIS W 470 6.473 4.644 -5.839 1.00 0.00 C ATOM 291 CG HIS W 470 6.924 5.581 -4.762 1.00 0.00 C ATOM 292 ND1 HIS W 470 6.201 5.745 -3.607 1.00 0.00 N ATOM 293 CD2 HIS W 470 8.025 6.370 -4.711 1.00 0.00 C ATOM 294 CE1 HIS W 470 6.869 6.624 -2.882 1.00 0.00 C ATOM 295 NE2 HIS W 470 7.982 7.032 -3.511 1.00 0.00 N ATOM 0 H HIS W 470 5.256 3.269 -7.526 1.00 0.00 H new ATOM 0 HA HIS W 470 4.568 5.623 -6.004 1.00 0.00 H new ATOM 0 HB2 HIS W 470 6.177 3.698 -5.385 1.00 0.00 H new ATOM 0 HB3 HIS W 470 7.314 4.432 -6.500 1.00 0.00 H new ATOM 0 HD2 HIS W 470 8.789 6.460 -5.469 1.00 0.00 H new ATOM 0 HE1 HIS W 470 6.559 6.970 -1.907 1.00 0.00 H new ATOM 0 HE2 HIS W 470 8.665 7.705 -3.163 1.00 0.00 H new ATOM 303 N THR W 471 6.058 7.454 -7.082 1.00 0.00 N ATOM 304 CA THR W 471 6.532 8.578 -7.883 1.00 0.00 C ATOM 305 C THR W 471 7.819 8.232 -8.627 1.00 0.00 C ATOM 306 O THR W 471 8.151 8.856 -9.634 1.00 0.00 O ATOM 307 CB THR W 471 6.779 9.823 -7.011 1.00 0.00 C ATOM 308 OG1 THR W 471 5.933 9.787 -5.855 1.00 0.00 O ATOM 309 CG2 THR W 471 6.513 11.097 -7.799 1.00 0.00 C ATOM 0 H THR W 471 5.945 7.662 -6.090 1.00 0.00 H new ATOM 0 HA THR W 471 5.748 8.796 -8.608 1.00 0.00 H new ATOM 0 HB THR W 471 7.823 9.819 -6.698 1.00 0.00 H new ATOM 0 HG1 THR W 471 6.097 10.581 -5.305 1.00 0.00 H new ATOM 0 HG21 THR W 471 6.694 11.963 -7.162 1.00 0.00 H new ATOM 0 HG22 THR W 471 7.177 11.136 -8.662 1.00 0.00 H new ATOM 0 HG23 THR W 471 5.477 11.106 -8.138 1.00 0.00 H new ATOM 317 N ASP W 472 8.543 7.237 -8.123 1.00 0.00 N ATOM 318 CA ASP W 472 9.795 6.813 -8.742 1.00 0.00 C ATOM 319 C ASP W 472 9.559 5.746 -9.810 1.00 0.00 C ATOM 320 O ASP W 472 10.452 5.446 -10.603 1.00 0.00 O ATOM 321 CB ASP W 472 10.756 6.278 -7.678 1.00 0.00 C ATOM 322 CG ASP W 472 11.636 7.366 -7.095 1.00 0.00 C ATOM 323 OD1 ASP W 472 11.110 8.223 -6.354 1.00 0.00 O ATOM 324 OD2 ASP W 472 12.853 7.361 -7.379 1.00 0.00 O ATOM 0 H ASP W 472 8.285 6.710 -7.289 1.00 0.00 H new ATOM 0 HA ASP W 472 10.237 7.684 -9.226 1.00 0.00 H new ATOM 0 HB2 ASP W 472 10.183 5.810 -6.877 1.00 0.00 H new ATOM 0 HB3 ASP W 472 11.384 5.502 -8.116 1.00 0.00 H new ATOM 329 N GLY W 473 8.358 5.174 -9.826 1.00 0.00 N ATOM 330 CA GLY W 473 8.042 4.148 -10.803 1.00 0.00 C ATOM 331 C GLY W 473 7.922 2.771 -10.179 1.00 0.00 C ATOM 332 O GLY W 473 7.329 1.867 -10.768 1.00 0.00 O ATOM 0 H GLY W 473 7.601 5.402 -9.182 1.00 0.00 H new ATOM 0 HA2 GLY W 473 7.106 4.401 -11.301 1.00 0.00 H new ATOM 0 HA3 GLY W 473 8.816 4.130 -11.570 1.00 0.00 H new ATOM 336 N ARG W 474 8.478 2.611 -8.981 1.00 0.00 N ATOM 337 CA ARG W 474 8.421 1.336 -8.277 1.00 0.00 C ATOM 338 C ARG W 474 7.048 1.138 -7.645 1.00 0.00 C ATOM 339 O ARG W 474 6.611 1.947 -6.827 1.00 0.00 O ATOM 340 CB ARG W 474 9.510 1.267 -7.204 1.00 0.00 C ATOM 341 CG ARG W 474 10.912 1.498 -7.745 1.00 0.00 C ATOM 342 CD ARG W 474 11.870 1.929 -6.646 1.00 0.00 C ATOM 343 NE ARG W 474 13.043 2.618 -7.180 1.00 0.00 N ATOM 344 CZ ARG W 474 14.182 2.763 -6.509 1.00 0.00 C ATOM 345 NH1 ARG W 474 14.301 2.268 -5.285 1.00 0.00 N ATOM 346 NH2 ARG W 474 15.204 3.401 -7.063 1.00 0.00 N ATOM 0 H ARG W 474 8.972 3.348 -8.479 1.00 0.00 H new ATOM 0 HA ARG W 474 8.592 0.538 -8.999 1.00 0.00 H new ATOM 0 HB2 ARG W 474 9.299 2.011 -6.435 1.00 0.00 H new ATOM 0 HB3 ARG W 474 9.472 0.290 -6.722 1.00 0.00 H new ATOM 0 HG2 ARG W 474 11.279 0.583 -8.210 1.00 0.00 H new ATOM 0 HG3 ARG W 474 10.882 2.261 -8.523 1.00 0.00 H new ATOM 0 HD2 ARG W 474 11.350 2.586 -5.949 1.00 0.00 H new ATOM 0 HD3 ARG W 474 12.190 1.054 -6.080 1.00 0.00 H new ATOM 0 HE ARG W 474 12.985 3.010 -8.120 1.00 0.00 H new ATOM 0 HH11 ARG W 474 13.518 1.775 -4.856 1.00 0.00 H new ATOM 0 HH12 ARG W 474 15.176 2.380 -4.772 1.00 0.00 H new ATOM 0 HH21 ARG W 474 15.117 3.782 -8.005 1.00 0.00 H new ATOM 0 HH22 ARG W 474 16.077 3.511 -6.547 1.00 0.00 H new ATOM 360 N VAL W 475 6.368 0.067 -8.036 1.00 0.00 N ATOM 361 CA VAL W 475 5.039 -0.223 -7.510 1.00 0.00 C ATOM 362 C VAL W 475 5.114 -0.841 -6.118 1.00 0.00 C ATOM 363 O VAL W 475 5.570 -1.972 -5.951 1.00 0.00 O ATOM 364 CB VAL W 475 4.266 -1.174 -8.440 1.00 0.00 C ATOM 365 CG1 VAL W 475 4.957 -2.544 -8.493 1.00 0.00 C ATOM 366 CG2 VAL W 475 2.799 -1.259 -7.996 1.00 0.00 C ATOM 0 H VAL W 475 6.713 -0.613 -8.713 1.00 0.00 H new ATOM 0 HA VAL W 475 4.511 0.728 -7.450 1.00 0.00 H new ATOM 0 HB VAL W 475 4.270 -0.784 -9.458 1.00 0.00 H new ATOM 0 HG11 VAL W 475 4.400 -3.207 -9.155 1.00 0.00 H new ATOM 0 HG12 VAL W 475 5.973 -2.425 -8.870 1.00 0.00 H new ATOM 0 HG13 VAL W 475 4.990 -2.974 -7.492 1.00 0.00 H new ATOM 0 HG21 VAL W 475 2.257 -1.934 -8.658 1.00 0.00 H new ATOM 0 HG22 VAL W 475 2.749 -1.636 -6.974 1.00 0.00 H new ATOM 0 HG23 VAL W 475 2.348 -0.268 -8.039 1.00 0.00 H new ATOM 376 N PHE W 476 4.653 -0.090 -5.123 1.00 0.00 N ATOM 377 CA PHE W 476 4.657 -0.560 -3.742 1.00 0.00 C ATOM 378 C PHE W 476 3.372 -1.317 -3.418 1.00 0.00 C ATOM 379 O PHE W 476 2.465 -1.404 -4.244 1.00 0.00 O ATOM 380 CB PHE W 476 4.825 0.618 -2.781 1.00 0.00 C ATOM 381 CG PHE W 476 3.703 1.614 -2.851 1.00 0.00 C ATOM 382 CD1 PHE W 476 2.587 1.474 -2.043 1.00 0.00 C ATOM 383 CD2 PHE W 476 3.764 2.689 -3.723 1.00 0.00 C ATOM 384 CE1 PHE W 476 1.552 2.387 -2.104 1.00 0.00 C ATOM 385 CE2 PHE W 476 2.731 3.605 -3.790 1.00 0.00 C ATOM 386 CZ PHE W 476 1.624 3.454 -2.979 1.00 0.00 C ATOM 0 H PHE W 476 4.271 0.848 -5.247 1.00 0.00 H new ATOM 0 HA PHE W 476 5.498 -1.243 -3.621 1.00 0.00 H new ATOM 0 HB2 PHE W 476 4.899 0.238 -1.762 1.00 0.00 H new ATOM 0 HB3 PHE W 476 5.764 1.125 -3.001 1.00 0.00 H new ATOM 0 HD1 PHE W 476 2.525 0.642 -1.358 1.00 0.00 H new ATOM 0 HD2 PHE W 476 4.629 2.813 -4.358 1.00 0.00 H new ATOM 0 HE1 PHE W 476 0.687 2.267 -1.468 1.00 0.00 H new ATOM 0 HE2 PHE W 476 2.790 4.437 -4.476 1.00 0.00 H new ATOM 0 HZ PHE W 476 0.816 4.169 -3.028 1.00 0.00 H new ATOM 396 N PHE W 477 3.301 -1.857 -2.204 1.00 0.00 N ATOM 397 CA PHE W 477 2.126 -2.600 -1.762 1.00 0.00 C ATOM 398 C PHE W 477 1.321 -1.780 -0.757 1.00 0.00 C ATOM 399 O PHE W 477 1.881 -0.969 -0.018 1.00 0.00 O ATOM 400 CB PHE W 477 2.548 -3.930 -1.137 1.00 0.00 C ATOM 401 CG PHE W 477 3.312 -4.818 -2.077 1.00 0.00 C ATOM 402 CD1 PHE W 477 4.534 -4.415 -2.592 1.00 0.00 C ATOM 403 CD2 PHE W 477 2.806 -6.053 -2.450 1.00 0.00 C ATOM 404 CE1 PHE W 477 5.238 -5.229 -3.459 1.00 0.00 C ATOM 405 CE2 PHE W 477 3.505 -6.871 -3.316 1.00 0.00 C ATOM 406 CZ PHE W 477 4.723 -6.459 -3.822 1.00 0.00 C ATOM 0 H PHE W 477 4.045 -1.793 -1.509 1.00 0.00 H new ATOM 0 HA PHE W 477 1.497 -2.800 -2.629 1.00 0.00 H new ATOM 0 HB2 PHE W 477 3.162 -3.731 -0.258 1.00 0.00 H new ATOM 0 HB3 PHE W 477 1.659 -4.459 -0.792 1.00 0.00 H new ATOM 0 HD1 PHE W 477 4.941 -3.454 -2.313 1.00 0.00 H new ATOM 0 HD2 PHE W 477 1.854 -6.380 -2.059 1.00 0.00 H new ATOM 0 HE1 PHE W 477 6.190 -4.904 -3.853 1.00 0.00 H new ATOM 0 HE2 PHE W 477 3.100 -7.832 -3.597 1.00 0.00 H new ATOM 0 HZ PHE W 477 5.271 -7.097 -4.500 1.00 0.00 H new ATOM 416 N ILE W 478 0.005 -1.984 -0.734 1.00 0.00 N ATOM 417 CA ILE W 478 -0.858 -1.245 0.186 1.00 0.00 C ATOM 418 C ILE W 478 -2.061 -2.072 0.616 1.00 0.00 C ATOM 419 O ILE W 478 -2.804 -2.579 -0.220 1.00 0.00 O ATOM 420 CB ILE W 478 -1.358 0.069 -0.456 1.00 0.00 C ATOM 421 CG1 ILE W 478 -2.112 0.933 0.567 1.00 0.00 C ATOM 422 CG2 ILE W 478 -2.247 -0.233 -1.651 1.00 0.00 C ATOM 423 CD1 ILE W 478 -2.870 2.105 -0.044 1.00 0.00 C ATOM 0 H ILE W 478 -0.483 -2.648 -1.335 1.00 0.00 H new ATOM 0 HA ILE W 478 -0.254 -1.016 1.064 1.00 0.00 H new ATOM 0 HB ILE W 478 -0.489 0.631 -0.797 1.00 0.00 H new ATOM 0 HG12 ILE W 478 -2.816 0.302 1.110 1.00 0.00 H new ATOM 0 HG13 ILE W 478 -1.400 1.317 1.297 1.00 0.00 H new ATOM 0 HG21 ILE W 478 -2.592 0.702 -2.093 1.00 0.00 H new ATOM 0 HG22 ILE W 478 -1.681 -0.798 -2.392 1.00 0.00 H new ATOM 0 HG23 ILE W 478 -3.106 -0.820 -1.326 1.00 0.00 H new ATOM 0 HD11 ILE W 478 -3.374 2.663 0.745 1.00 0.00 H new ATOM 0 HD12 ILE W 478 -2.170 2.761 -0.562 1.00 0.00 H new ATOM 0 HD13 ILE W 478 -3.609 1.731 -0.753 1.00 0.00 H new ATOM 435 N ASN W 479 -2.256 -2.196 1.925 1.00 0.00 N ATOM 436 CA ASN W 479 -3.378 -2.958 2.458 1.00 0.00 C ATOM 437 C ASN W 479 -4.555 -2.042 2.790 1.00 0.00 C ATOM 438 O ASN W 479 -4.374 -0.854 3.056 1.00 0.00 O ATOM 439 CB ASN W 479 -2.942 -3.755 3.694 1.00 0.00 C ATOM 440 CG ASN W 479 -2.835 -2.903 4.946 1.00 0.00 C ATOM 441 OD1 ASN W 479 -2.816 -1.675 4.876 1.00 0.00 O ATOM 442 ND2 ASN W 479 -2.764 -3.557 6.099 1.00 0.00 N ATOM 0 H ASN W 479 -1.653 -1.779 2.634 1.00 0.00 H new ATOM 0 HA ASN W 479 -3.709 -3.660 1.693 1.00 0.00 H new ATOM 0 HB2 ASN W 479 -3.655 -4.560 3.870 1.00 0.00 H new ATOM 0 HB3 ASN W 479 -1.977 -4.222 3.496 1.00 0.00 H new ATOM 0 HD21 ASN W 479 -2.690 -3.040 6.975 1.00 0.00 H new ATOM 0 HD22 ASN W 479 -2.783 -4.577 6.109 1.00 0.00 H new ATOM 449 N HIS W 480 -5.761 -2.602 2.764 1.00 0.00 N ATOM 450 CA HIS W 480 -6.969 -1.835 3.053 1.00 0.00 C ATOM 451 C HIS W 480 -7.471 -2.090 4.474 1.00 0.00 C ATOM 452 O HIS W 480 -8.248 -1.301 5.014 1.00 0.00 O ATOM 453 CB HIS W 480 -8.068 -2.186 2.048 1.00 0.00 C ATOM 454 CG HIS W 480 -8.010 -1.378 0.789 1.00 0.00 C ATOM 455 ND1 HIS W 480 -9.104 -0.680 0.336 1.00 0.00 N ATOM 456 CD2 HIS W 480 -6.980 -1.193 -0.072 1.00 0.00 C ATOM 457 CE1 HIS W 480 -8.720 -0.090 -0.781 1.00 0.00 C ATOM 458 NE2 HIS W 480 -7.439 -0.371 -1.069 1.00 0.00 N ATOM 0 H HIS W 480 -5.928 -3.584 2.546 1.00 0.00 H new ATOM 0 HA HIS W 480 -6.718 -0.778 2.967 1.00 0.00 H new ATOM 0 HB2 HIS W 480 -7.993 -3.244 1.795 1.00 0.00 H new ATOM 0 HB3 HIS W 480 -9.040 -2.039 2.519 1.00 0.00 H new ATOM 0 HD2 HIS W 480 -5.988 -1.612 0.011 1.00 0.00 H new ATOM 0 HE1 HIS W 480 -9.356 0.539 -1.386 1.00 0.00 H new ATOM 0 HE2 HIS W 480 -6.909 -0.037 -1.874 1.00 0.00 H new ATOM 466 N ASN W 481 -7.032 -3.193 5.075 1.00 0.00 N ATOM 467 CA ASN W 481 -7.451 -3.542 6.432 1.00 0.00 C ATOM 468 C ASN W 481 -7.312 -2.351 7.375 1.00 0.00 C ATOM 469 O ASN W 481 -8.256 -1.988 8.077 1.00 0.00 O ATOM 470 CB ASN W 481 -6.632 -4.719 6.972 1.00 0.00 C ATOM 471 CG ASN W 481 -6.390 -5.794 5.931 1.00 0.00 C ATOM 472 OD1 ASN W 481 -5.243 -5.721 5.269 1.00 0.00 O flip ATOM 473 ND2 ASN W 481 -7.222 -6.678 5.727 1.00 0.00 N flip ATOM 0 H ASN W 481 -6.389 -3.859 4.647 1.00 0.00 H new ATOM 0 HA ASN W 481 -8.501 -3.831 6.383 1.00 0.00 H new ATOM 0 HB2 ASN W 481 -5.673 -4.351 7.337 1.00 0.00 H new ATOM 0 HB3 ASN W 481 -7.151 -5.156 7.825 1.00 0.00 H new ATOM 0 HD21 ASN W 481 -8.091 -6.694 6.261 1.00 0.00 H new ATOM 0 HD22 ASN W 481 -7.043 -7.395 5.024 1.00 0.00 H new ATOM 480 N ILE W 482 -6.127 -1.752 7.389 1.00 0.00 N ATOM 481 CA ILE W 482 -5.862 -0.604 8.248 1.00 0.00 C ATOM 482 C ILE W 482 -5.317 0.567 7.443 1.00 0.00 C ATOM 483 O ILE W 482 -4.591 1.413 7.969 1.00 0.00 O ATOM 484 CB ILE W 482 -4.859 -0.956 9.365 1.00 0.00 C ATOM 485 CG1 ILE W 482 -3.762 -1.878 8.828 1.00 0.00 C ATOM 486 CG2 ILE W 482 -5.576 -1.603 10.540 1.00 0.00 C ATOM 487 CD1 ILE W 482 -2.786 -2.338 9.889 1.00 0.00 C ATOM 0 H ILE W 482 -5.335 -2.042 6.816 1.00 0.00 H new ATOM 0 HA ILE W 482 -6.812 -0.321 8.700 1.00 0.00 H new ATOM 0 HB ILE W 482 -4.392 -0.035 9.714 1.00 0.00 H new ATOM 0 HG12 ILE W 482 -4.225 -2.751 8.369 1.00 0.00 H new ATOM 0 HG13 ILE W 482 -3.214 -1.358 8.042 1.00 0.00 H new ATOM 0 HG21 ILE W 482 -4.853 -1.845 11.319 1.00 0.00 H new ATOM 0 HG22 ILE W 482 -6.320 -0.913 10.937 1.00 0.00 H new ATOM 0 HG23 ILE W 482 -6.070 -2.516 10.207 1.00 0.00 H new ATOM 0 HD11 ILE W 482 -2.037 -2.988 9.437 1.00 0.00 H new ATOM 0 HD12 ILE W 482 -2.295 -1.471 10.332 1.00 0.00 H new ATOM 0 HD13 ILE W 482 -3.322 -2.887 10.663 1.00 0.00 H new ATOM 499 N LYS W 483 -5.673 0.612 6.161 1.00 0.00 N ATOM 500 CA LYS W 483 -5.224 1.680 5.268 1.00 0.00 C ATOM 501 C LYS W 483 -3.752 2.017 5.492 1.00 0.00 C ATOM 502 O LYS W 483 -3.424 3.007 6.146 1.00 0.00 O ATOM 503 CB LYS W 483 -6.080 2.930 5.471 1.00 0.00 C ATOM 504 CG LYS W 483 -7.563 2.697 5.236 1.00 0.00 C ATOM 505 CD LYS W 483 -8.215 2.002 6.421 1.00 0.00 C ATOM 506 CE LYS W 483 -9.691 2.347 6.524 1.00 0.00 C ATOM 507 NZ LYS W 483 -10.553 1.137 6.414 1.00 0.00 N ATOM 0 H LYS W 483 -6.274 -0.081 5.715 1.00 0.00 H new ATOM 0 HA LYS W 483 -5.336 1.325 4.244 1.00 0.00 H new ATOM 0 HB2 LYS W 483 -5.935 3.298 6.487 1.00 0.00 H new ATOM 0 HB3 LYS W 483 -5.732 3.712 4.796 1.00 0.00 H new ATOM 0 HG2 LYS W 483 -8.058 3.651 5.056 1.00 0.00 H new ATOM 0 HG3 LYS W 483 -7.699 2.093 4.339 1.00 0.00 H new ATOM 0 HD2 LYS W 483 -8.098 0.923 6.321 1.00 0.00 H new ATOM 0 HD3 LYS W 483 -7.707 2.294 7.340 1.00 0.00 H new ATOM 0 HE2 LYS W 483 -9.882 2.844 7.475 1.00 0.00 H new ATOM 0 HE3 LYS W 483 -9.955 3.053 5.737 1.00 0.00 H new ATOM 0 HZ1 LYS W 483 -11.552 1.415 6.489 1.00 0.00 H new ATOM 0 HZ2 LYS W 483 -10.390 0.677 5.496 1.00 0.00 H new ATOM 0 HZ3 LYS W 483 -10.320 0.474 7.180 1.00 0.00 H new ATOM 521 N LYS W 484 -2.871 1.187 4.945 1.00 0.00 N ATOM 522 CA LYS W 484 -1.436 1.397 5.085 1.00 0.00 C ATOM 523 C LYS W 484 -0.689 0.849 3.872 1.00 0.00 C ATOM 524 O LYS W 484 -1.247 0.098 3.073 1.00 0.00 O ATOM 525 CB LYS W 484 -0.921 0.728 6.361 1.00 0.00 C ATOM 526 CG LYS W 484 0.010 1.611 7.177 1.00 0.00 C ATOM 527 CD LYS W 484 -0.542 1.865 8.570 1.00 0.00 C ATOM 528 CE LYS W 484 -0.257 0.701 9.505 1.00 0.00 C ATOM 529 NZ LYS W 484 0.805 1.030 10.495 1.00 0.00 N ATOM 0 H LYS W 484 -3.126 0.363 4.401 1.00 0.00 H new ATOM 0 HA LYS W 484 -1.255 2.470 5.150 1.00 0.00 H new ATOM 0 HB2 LYS W 484 -1.771 0.441 6.980 1.00 0.00 H new ATOM 0 HB3 LYS W 484 -0.397 -0.190 6.094 1.00 0.00 H new ATOM 0 HG2 LYS W 484 0.989 1.137 7.253 1.00 0.00 H new ATOM 0 HG3 LYS W 484 0.155 2.561 6.663 1.00 0.00 H new ATOM 0 HD2 LYS W 484 -0.101 2.775 8.976 1.00 0.00 H new ATOM 0 HD3 LYS W 484 -1.618 2.030 8.511 1.00 0.00 H new ATOM 0 HE2 LYS W 484 -1.171 0.426 10.031 1.00 0.00 H new ATOM 0 HE3 LYS W 484 0.048 -0.167 8.921 1.00 0.00 H new ATOM 0 HZ1 LYS W 484 0.969 0.210 11.113 1.00 0.00 H new ATOM 0 HZ2 LYS W 484 1.685 1.268 9.994 1.00 0.00 H new ATOM 0 HZ3 LYS W 484 0.504 1.843 11.070 1.00 0.00 H new ATOM 543 N THR W 485 0.577 1.231 3.744 1.00 0.00 N ATOM 544 CA THR W 485 1.404 0.780 2.632 1.00 0.00 C ATOM 545 C THR W 485 2.840 0.544 3.083 1.00 0.00 C ATOM 546 O THR W 485 3.217 0.913 4.196 1.00 0.00 O ATOM 547 CB THR W 485 1.400 1.800 1.477 1.00 0.00 C ATOM 548 OG1 THR W 485 2.531 1.580 0.626 1.00 0.00 O ATOM 549 CG2 THR W 485 1.430 3.224 2.011 1.00 0.00 C ATOM 0 H THR W 485 1.053 1.853 4.398 1.00 0.00 H new ATOM 0 HA THR W 485 0.976 -0.158 2.277 1.00 0.00 H new ATOM 0 HB THR W 485 0.482 1.664 0.905 1.00 0.00 H new ATOM 0 HG1 THR W 485 2.345 1.943 -0.265 1.00 0.00 H new ATOM 0 HG21 THR W 485 1.427 3.926 1.177 1.00 0.00 H new ATOM 0 HG22 THR W 485 0.553 3.397 2.634 1.00 0.00 H new ATOM 0 HG23 THR W 485 2.332 3.371 2.605 1.00 0.00 H new ATOM 557 N GLN W 486 3.636 -0.082 2.222 1.00 0.00 N ATOM 558 CA GLN W 486 5.025 -0.375 2.547 1.00 0.00 C ATOM 559 C GLN W 486 5.851 -0.599 1.285 1.00 0.00 C ATOM 560 O GLN W 486 5.329 -1.026 0.256 1.00 0.00 O ATOM 561 CB GLN W 486 5.092 -1.615 3.432 1.00 0.00 C ATOM 562 CG GLN W 486 4.215 -2.747 2.927 1.00 0.00 C ATOM 563 CD GLN W 486 4.654 -4.100 3.443 1.00 0.00 C ATOM 564 OE1 GLN W 486 5.190 -4.922 2.551 1.00 0.00 O flip ATOM 565 NE2 GLN W 486 4.516 -4.403 4.628 1.00 0.00 N flip ATOM 0 H GLN W 486 3.343 -0.395 1.297 1.00 0.00 H new ATOM 0 HA GLN W 486 5.441 0.481 3.078 1.00 0.00 H new ATOM 0 HB2 GLN W 486 6.125 -1.959 3.489 1.00 0.00 H new ATOM 0 HB3 GLN W 486 4.788 -1.350 4.445 1.00 0.00 H new ATOM 0 HG2 GLN W 486 3.184 -2.565 3.229 1.00 0.00 H new ATOM 0 HG3 GLN W 486 4.231 -2.755 1.837 1.00 0.00 H new ATOM 0 HE21 GLN W 486 4.098 -3.738 5.279 1.00 0.00 H new ATOM 0 HE22 GLN W 486 4.820 -5.319 4.959 1.00 0.00 H new ATOM 574 N TRP W 487 7.145 -0.312 1.377 1.00 0.00 N ATOM 575 CA TRP W 487 8.051 -0.484 0.247 1.00 0.00 C ATOM 576 C TRP W 487 8.325 -1.962 -0.010 1.00 0.00 C ATOM 577 O TRP W 487 8.284 -2.423 -1.151 1.00 0.00 O ATOM 578 CB TRP W 487 9.367 0.250 0.510 1.00 0.00 C ATOM 579 CG TRP W 487 9.427 1.608 -0.119 1.00 0.00 C ATOM 580 CD1 TRP W 487 9.744 2.783 0.499 1.00 0.00 C ATOM 581 CD2 TRP W 487 9.163 1.932 -1.488 1.00 0.00 C ATOM 582 NE1 TRP W 487 9.694 3.818 -0.402 1.00 0.00 N ATOM 583 CE2 TRP W 487 9.341 3.322 -1.629 1.00 0.00 C ATOM 584 CE3 TRP W 487 8.796 1.183 -2.609 1.00 0.00 C ATOM 585 CZ2 TRP W 487 9.162 3.976 -2.845 1.00 0.00 C ATOM 586 CZ3 TRP W 487 8.619 1.833 -3.816 1.00 0.00 C ATOM 587 CH2 TRP W 487 8.803 3.217 -3.926 1.00 0.00 C ATOM 0 H TRP W 487 7.591 0.041 2.224 1.00 0.00 H new ATOM 0 HA TRP W 487 7.575 -0.062 -0.638 1.00 0.00 H new ATOM 0 HB2 TRP W 487 9.510 0.350 1.586 1.00 0.00 H new ATOM 0 HB3 TRP W 487 10.193 -0.354 0.133 1.00 0.00 H new ATOM 0 HD1 TRP W 487 9.997 2.884 1.544 1.00 0.00 H new ATOM 0 HE1 TRP W 487 9.888 4.797 -0.192 1.00 0.00 H new ATOM 0 HE3 TRP W 487 8.653 0.115 -2.534 1.00 0.00 H new ATOM 0 HZ2 TRP W 487 9.301 5.043 -2.932 1.00 0.00 H new ATOM 0 HZ3 TRP W 487 8.334 1.264 -4.689 1.00 0.00 H new ATOM 0 HH2 TRP W 487 8.659 3.695 -4.884 1.00 0.00 H new ATOM 598 N GLU W 488 8.614 -2.698 1.059 1.00 0.00 N ATOM 599 CA GLU W 488 8.904 -4.123 0.954 1.00 0.00 C ATOM 600 C GLU W 488 7.705 -4.892 0.408 1.00 0.00 C ATOM 601 O GLU W 488 6.665 -4.308 0.103 1.00 0.00 O ATOM 602 CB GLU W 488 9.303 -4.685 2.321 1.00 0.00 C ATOM 603 CG GLU W 488 10.498 -5.623 2.264 1.00 0.00 C ATOM 604 CD GLU W 488 11.731 -5.037 2.924 1.00 0.00 C ATOM 605 OE1 GLU W 488 11.673 -4.742 4.135 1.00 0.00 O ATOM 606 OE2 GLU W 488 12.756 -4.874 2.227 1.00 0.00 O ATOM 0 H GLU W 488 8.653 -2.330 2.009 1.00 0.00 H new ATOM 0 HA GLU W 488 9.734 -4.245 0.258 1.00 0.00 H new ATOM 0 HB2 GLU W 488 9.532 -3.858 2.993 1.00 0.00 H new ATOM 0 HB3 GLU W 488 8.453 -5.217 2.749 1.00 0.00 H new ATOM 0 HG2 GLU W 488 10.241 -6.563 2.752 1.00 0.00 H new ATOM 0 HG3 GLU W 488 10.723 -5.856 1.223 1.00 0.00 H new ATOM 613 N ASP W 489 7.861 -6.207 0.291 1.00 0.00 N ATOM 614 CA ASP W 489 6.795 -7.064 -0.215 1.00 0.00 C ATOM 615 C ASP W 489 6.213 -7.921 0.909 1.00 0.00 C ATOM 616 O ASP W 489 6.936 -8.685 1.549 1.00 0.00 O ATOM 617 CB ASP W 489 7.326 -7.966 -1.332 1.00 0.00 C ATOM 618 CG ASP W 489 8.297 -7.245 -2.246 1.00 0.00 C ATOM 619 OD1 ASP W 489 7.902 -6.219 -2.839 1.00 0.00 O ATOM 620 OD2 ASP W 489 9.451 -7.706 -2.369 1.00 0.00 O ATOM 0 H ASP W 489 8.717 -6.703 0.540 1.00 0.00 H new ATOM 0 HA ASP W 489 6.006 -6.427 -0.614 1.00 0.00 H new ATOM 0 HB2 ASP W 489 7.821 -8.832 -0.892 1.00 0.00 H new ATOM 0 HB3 ASP W 489 6.489 -8.342 -1.920 1.00 0.00 H new ATOM 625 N PRO W 490 4.899 -7.808 1.172 1.00 0.00 N ATOM 626 CA PRO W 490 4.243 -8.580 2.226 1.00 0.00 C ATOM 627 C PRO W 490 3.939 -10.011 1.794 1.00 0.00 C ATOM 628 O PRO W 490 4.084 -10.949 2.577 1.00 0.00 O ATOM 629 CB PRO W 490 2.951 -7.803 2.471 1.00 0.00 C ATOM 630 CG PRO W 490 2.635 -7.165 1.161 1.00 0.00 C ATOM 631 CD PRO W 490 3.952 -6.923 0.466 1.00 0.00 C ATOM 0 HA PRO W 490 4.869 -8.684 3.112 1.00 0.00 H new ATOM 0 HB2 PRO W 490 2.147 -8.465 2.793 1.00 0.00 H new ATOM 0 HB3 PRO W 490 3.081 -7.056 3.254 1.00 0.00 H new ATOM 0 HG2 PRO W 490 1.994 -7.811 0.561 1.00 0.00 H new ATOM 0 HG3 PRO W 490 2.097 -6.228 1.307 1.00 0.00 H new ATOM 0 HD2 PRO W 490 3.894 -7.167 -0.595 1.00 0.00 H new ATOM 0 HD3 PRO W 490 4.254 -5.878 0.537 1.00 0.00 H new ATOM 639 N ARG W 491 3.520 -10.171 0.543 1.00 0.00 N ATOM 640 CA ARG W 491 3.198 -11.489 0.006 1.00 0.00 C ATOM 641 C ARG W 491 4.465 -12.292 -0.291 1.00 0.00 C ATOM 642 O ARG W 491 4.407 -13.508 -0.472 1.00 0.00 O ATOM 643 CB ARG W 491 2.360 -11.354 -1.266 1.00 0.00 C ATOM 644 CG ARG W 491 3.002 -10.480 -2.331 1.00 0.00 C ATOM 645 CD ARG W 491 2.524 -10.860 -3.723 1.00 0.00 C ATOM 646 NE ARG W 491 2.684 -12.288 -3.984 1.00 0.00 N ATOM 647 CZ ARG W 491 3.862 -12.876 -4.159 1.00 0.00 C ATOM 648 NH1 ARG W 491 4.978 -12.160 -4.108 1.00 0.00 N ATOM 649 NH2 ARG W 491 3.927 -14.181 -4.386 1.00 0.00 N ATOM 0 H ARG W 491 3.395 -9.405 -0.118 1.00 0.00 H new ATOM 0 HA ARG W 491 2.623 -12.024 0.761 1.00 0.00 H new ATOM 0 HB2 ARG W 491 2.183 -12.346 -1.681 1.00 0.00 H new ATOM 0 HB3 ARG W 491 1.386 -10.939 -1.007 1.00 0.00 H new ATOM 0 HG2 ARG W 491 2.765 -9.434 -2.136 1.00 0.00 H new ATOM 0 HG3 ARG W 491 4.086 -10.577 -2.278 1.00 0.00 H new ATOM 0 HD2 ARG W 491 1.475 -10.586 -3.834 1.00 0.00 H new ATOM 0 HD3 ARG W 491 3.082 -10.291 -4.466 1.00 0.00 H new ATOM 0 HE ARG W 491 1.845 -12.866 -4.035 1.00 0.00 H new ATOM 0 HH11 ARG W 491 4.932 -11.156 -3.934 1.00 0.00 H new ATOM 0 HH12 ARG W 491 5.882 -12.614 -4.243 1.00 0.00 H new ATOM 0 HH21 ARG W 491 3.071 -14.735 -4.426 1.00 0.00 H new ATOM 0 HH22 ARG W 491 4.833 -14.631 -4.520 1.00 0.00 H new ATOM 900 N PRO B 614 7.580 4.975 4.399 1.00 0.00 N ATOM 901 CA PRO B 614 6.925 4.151 3.381 1.00 0.00 C ATOM 902 C PRO B 614 6.264 4.992 2.290 1.00 0.00 C ATOM 903 O PRO B 614 6.227 6.219 2.379 1.00 0.00 O ATOM 904 CB PRO B 614 5.871 3.380 4.176 1.00 0.00 C ATOM 905 CG PRO B 614 6.437 3.286 5.551 1.00 0.00 C ATOM 906 CD PRO B 614 7.222 4.552 5.768 1.00 0.00 C ATOM 0 HA PRO B 614 7.634 3.512 2.855 1.00 0.00 H new ATOM 0 HB2 PRO B 614 4.914 3.901 4.175 1.00 0.00 H new ATOM 0 HB3 PRO B 614 5.696 2.392 3.750 1.00 0.00 H new ATOM 0 HG2 PRO B 614 5.644 3.187 6.293 1.00 0.00 H new ATOM 0 HG3 PRO B 614 7.077 2.409 5.650 1.00 0.00 H new ATOM 0 HD2 PRO B 614 6.628 5.310 6.280 1.00 0.00 H new ATOM 0 HD3 PRO B 614 8.108 4.375 6.378 1.00 0.00 H new ATOM 914 N PRO B 615 5.733 4.338 1.242 1.00 0.00 N ATOM 915 CA PRO B 615 5.074 5.032 0.131 1.00 0.00 C ATOM 916 C PRO B 615 4.000 6.008 0.609 1.00 0.00 C ATOM 917 O PRO B 615 3.805 6.190 1.811 1.00 0.00 O ATOM 918 CB PRO B 615 4.445 3.896 -0.677 1.00 0.00 C ATOM 919 CG PRO B 615 5.275 2.700 -0.362 1.00 0.00 C ATOM 920 CD PRO B 615 5.735 2.875 1.058 1.00 0.00 C ATOM 0 HA PRO B 615 5.775 5.641 -0.441 1.00 0.00 H new ATOM 0 HB2 PRO B 615 3.404 3.740 -0.396 1.00 0.00 H new ATOM 0 HB3 PRO B 615 4.457 4.116 -1.745 1.00 0.00 H new ATOM 0 HG2 PRO B 615 4.696 1.783 -0.474 1.00 0.00 H new ATOM 0 HG3 PRO B 615 6.125 2.625 -1.041 1.00 0.00 H new ATOM 0 HD2 PRO B 615 5.064 2.381 1.761 1.00 0.00 H new ATOM 0 HD3 PRO B 615 6.728 2.452 1.214 1.00 0.00 H new ATOM 928 N PRO B 616 3.287 6.653 -0.333 1.00 0.00 N ATOM 929 CA PRO B 616 2.231 7.617 -0.005 1.00 0.00 C ATOM 930 C PRO B 616 1.104 6.992 0.811 1.00 0.00 C ATOM 931 O PRO B 616 0.518 5.986 0.411 1.00 0.00 O ATOM 932 CB PRO B 616 1.708 8.066 -1.375 1.00 0.00 C ATOM 933 CG PRO B 616 2.793 7.724 -2.337 1.00 0.00 C ATOM 934 CD PRO B 616 3.459 6.497 -1.786 1.00 0.00 C ATOM 0 HA PRO B 616 2.611 8.434 0.609 1.00 0.00 H new ATOM 0 HB2 PRO B 616 0.780 7.554 -1.630 1.00 0.00 H new ATOM 0 HB3 PRO B 616 1.495 9.135 -1.385 1.00 0.00 H new ATOM 0 HG2 PRO B 616 2.388 7.536 -3.331 1.00 0.00 H new ATOM 0 HG3 PRO B 616 3.504 8.545 -2.432 1.00 0.00 H new ATOM 0 HD2 PRO B 616 2.990 5.584 -2.152 1.00 0.00 H new ATOM 0 HD3 PRO B 616 4.512 6.449 -2.065 1.00 0.00 H new ATOM 942 N ASN B 617 0.801 7.600 1.953 1.00 0.00 N ATOM 943 CA ASN B 617 -0.260 7.110 2.826 1.00 0.00 C ATOM 944 C ASN B 617 -1.596 7.087 2.093 1.00 0.00 C ATOM 945 O ASN B 617 -1.819 7.865 1.166 1.00 0.00 O ATOM 946 CB ASN B 617 -0.366 7.983 4.078 1.00 0.00 C ATOM 947 CG ASN B 617 -1.163 7.316 5.180 1.00 0.00 C ATOM 948 OD1 ASN B 617 -2.099 7.900 5.728 1.00 0.00 O ATOM 949 ND2 ASN B 617 -0.796 6.084 5.513 1.00 0.00 N ATOM 0 H ASN B 617 1.276 8.435 2.296 1.00 0.00 H new ATOM 0 HA ASN B 617 -0.010 6.092 3.124 1.00 0.00 H new ATOM 0 HB2 ASN B 617 0.635 8.212 4.444 1.00 0.00 H new ATOM 0 HB3 ASN B 617 -0.835 8.932 3.818 1.00 0.00 H new ATOM 0 HD21 ASN B 617 -1.296 5.584 6.249 1.00 0.00 H new ATOM 0 HD22 ASN B 617 -0.015 5.637 5.033 1.00 0.00 H new ATOM 956 N TYR B 618 -2.484 6.191 2.512 1.00 0.00 N ATOM 957 CA TYR B 618 -3.797 6.073 1.889 1.00 0.00 C ATOM 958 C TYR B 618 -4.576 7.377 2.026 1.00 0.00 C ATOM 959 O TYR B 618 -5.324 7.762 1.126 1.00 0.00 O ATOM 960 CB TYR B 618 -4.587 4.925 2.520 1.00 0.00 C ATOM 961 CG TYR B 618 -5.980 4.766 1.953 1.00 0.00 C ATOM 962 CD1 TYR B 618 -7.050 5.482 2.477 1.00 0.00 C ATOM 963 CD2 TYR B 618 -6.224 3.901 0.895 1.00 0.00 C ATOM 964 CE1 TYR B 618 -8.324 5.340 1.960 1.00 0.00 C ATOM 965 CE2 TYR B 618 -7.496 3.754 0.372 1.00 0.00 C ATOM 966 CZ TYR B 618 -8.542 4.475 0.909 1.00 0.00 C ATOM 967 OH TYR B 618 -9.808 4.331 0.392 1.00 0.00 O ATOM 0 H TYR B 618 -2.319 5.538 3.278 1.00 0.00 H new ATOM 0 HA TYR B 618 -3.653 5.862 0.829 1.00 0.00 H new ATOM 0 HB2 TYR B 618 -4.037 3.995 2.377 1.00 0.00 H new ATOM 0 HB3 TYR B 618 -4.658 5.091 3.595 1.00 0.00 H new ATOM 0 HD1 TYR B 618 -6.883 6.160 3.301 1.00 0.00 H new ATOM 0 HD2 TYR B 618 -5.407 3.334 0.473 1.00 0.00 H new ATOM 0 HE1 TYR B 618 -9.145 5.904 2.378 1.00 0.00 H new ATOM 0 HE2 TYR B 618 -7.669 3.078 -0.452 1.00 0.00 H new ATOM 0 HH TYR B 618 -9.789 3.685 -0.344 1.00 0.00 H new ATOM 977 N ASP B 619 -4.391 8.056 3.153 1.00 0.00 N ATOM 978 CA ASP B 619 -5.072 9.320 3.403 1.00 0.00 C ATOM 979 C ASP B 619 -4.606 10.384 2.415 1.00 0.00 C ATOM 980 O ASP B 619 -5.409 11.153 1.888 1.00 0.00 O ATOM 981 CB ASP B 619 -4.813 9.788 4.835 1.00 0.00 C ATOM 982 CG ASP B 619 -5.922 9.382 5.785 1.00 0.00 C ATOM 983 OD1 ASP B 619 -7.072 9.226 5.323 1.00 0.00 O ATOM 984 OD2 ASP B 619 -5.641 9.219 6.990 1.00 0.00 O ATOM 0 H ASP B 619 -3.775 7.752 3.907 1.00 0.00 H new ATOM 0 HA ASP B 619 -6.143 9.165 3.270 1.00 0.00 H new ATOM 0 HB2 ASP B 619 -3.868 9.372 5.185 1.00 0.00 H new ATOM 0 HB3 ASP B 619 -4.708 10.873 4.846 1.00 0.00 H new ATOM 989 N SER B 620 -3.300 10.417 2.167 1.00 0.00 N ATOM 990 CA SER B 620 -2.720 11.381 1.240 1.00 0.00 C ATOM 991 C SER B 620 -3.094 11.043 -0.199 1.00 0.00 C ATOM 992 O SER B 620 -3.101 11.914 -1.070 1.00 0.00 O ATOM 993 CB SER B 620 -1.199 11.411 1.390 1.00 0.00 C ATOM 994 OG SER B 620 -0.733 12.728 1.623 1.00 0.00 O ATOM 0 H SER B 620 -2.623 9.786 2.596 1.00 0.00 H new ATOM 0 HA SER B 620 -3.121 12.366 1.479 1.00 0.00 H new ATOM 0 HB2 SER B 620 -0.900 10.765 2.215 1.00 0.00 H new ATOM 0 HB3 SER B 620 -0.734 11.012 0.488 1.00 0.00 H new ATOM 0 HG SER B 620 0.242 12.718 1.717 1.00 0.00 H new ATOM 1000 N LEU B 621 -3.405 9.773 -0.443 1.00 0.00 N ATOM 1001 CA LEU B 621 -3.779 9.320 -1.777 1.00 0.00 C ATOM 1002 C LEU B 621 -5.178 9.806 -2.145 1.00 0.00 C ATOM 1003 O LEU B 621 -6.074 9.737 -1.279 1.00 0.00 O ATOM 1004 CB LEU B 621 -3.723 7.793 -1.854 1.00 0.00 C ATOM 1005 CG LEU B 621 -2.394 7.216 -2.345 1.00 0.00 C ATOM 1006 CD1 LEU B 621 -2.506 5.713 -2.546 1.00 0.00 C ATOM 1007 CD2 LEU B 621 -1.964 7.899 -3.635 1.00 0.00 C ATOM 1008 OXT LEU B 621 -5.364 10.253 -3.297 1.00 0.00 O ATOM 0 H LEU B 621 -3.405 9.040 0.266 1.00 0.00 H new ATOM 0 HA LEU B 621 -3.068 9.741 -2.488 1.00 0.00 H new ATOM 0 HB2 LEU B 621 -3.934 7.387 -0.865 1.00 0.00 H new ATOM 0 HB3 LEU B 621 -4.517 7.449 -2.516 1.00 0.00 H new ATOM 0 HG LEU B 621 -1.634 7.403 -1.586 1.00 0.00 H new ATOM 0 HD11 LEU B 621 -1.551 5.320 -2.895 1.00 0.00 H new ATOM 0 HD12 LEU B 621 -2.770 5.238 -1.601 1.00 0.00 H new ATOM 0 HD13 LEU B 621 -3.278 5.501 -3.286 1.00 0.00 H new ATOM 0 HD21 LEU B 621 -1.017 7.478 -3.972 1.00 0.00 H new ATOM 0 HD22 LEU B 621 -2.724 7.742 -4.401 1.00 0.00 H new ATOM 0 HD23 LEU B 621 -1.843 8.968 -3.458 1.00 0.00 H new