USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 652 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 594 HIS : no HE2:sc= 0.141 K(o=0.14,f=-1.1) USER MOD Single : A 596 THR OG1 : rot 180:sc= -0.256 USER MOD Single : A 597 GLN :FLIP amide:sc= -0.0497 F(o=-1.6!,f=-0.05) USER MOD Single : A 601 SER OG : rot -9:sc= 0.31 USER MOD Single : A 602 HIS : no HD1:sc= -0.198 X(o=-0.2,f=0) USER MOD Single : A 605 HIS : no HE2:sc= 1.18 K(o=1.2,f=-4!) USER MOD Single : A 606 LYS NZ :NH3+ -167:sc= -0.0247 (180deg=-0.189) USER MOD Single : A 609 GLN : amide:sc= -2.31! C(o=-2.3!,f=-5.8!) USER MOD Single : A 614 THR OG1 : rot 39:sc= 0.276 USER MOD Single : A 621 LYS NZ :NH3+ 171:sc=-0.000941 (180deg=-0.0633) USER MOD Single : A 625 MET CE :methyl -116:sc= -0.385 (180deg=-0.613) USER MOD Single : A 627 ASN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 631 TYR OH : rot 180:sc= 0 USER MOD Single : A 633 LYS NZ :NH3+ 160:sc= -0.125 (180deg=-0.522) USER MOD Single : A 634 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0365) USER MOD Single : A 639 MET CE :methyl 153:sc= -1.89 (180deg=-3.64!) USER MOD Single : A 640 TYR OH : rot 180:sc= 0 USER MOD Single : A 642 SER OG : rot 170:sc= -0.245 USER MOD Single : A 644 ASN :FLIP amide:sc= -0.172 F(o=-1.3!,f=-0.17) USER MOD Single : A 645 SER OG : rot 180:sc= 0 USER MOD Single : A 649 TYR OH : rot 110:sc= -0.495 USER MOD Single : A 650 TYR OH : rot 165:sc= -1.12 USER MOD Single : A 651 HIS : no HE2:sc= 1.04 K(o=1,f=-4.3!) USER MOD Single : A 656 LYS NZ :NH3+ -140:sc= 1.27 (180deg=1.14) USER MOD Single : A 658 TYR OH : rot 180:sc= 0 USER MOD Single : A 659 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 661 GLN : amide:sc= -0.18 K(o=-0.18,f=-0.91) USER MOD Single : A 662 LYS NZ :NH3+ -172:sc= 0.948 (180deg=0.723) USER MOD Single : B 847 SER OG : rot 180:sc= 0.0169 USER MOD Single : B 850 MET CE :methyl 153:sc= -2.32! (180deg=-4.21!) USER MOD ----------------------------------------------------------------- ATOM 134 N HIS A 594 21.619 -0.598 -3.004 1.00 0.00 N ATOM 135 CA HIS A 594 21.111 -0.490 -4.376 1.00 0.00 C ATOM 136 C HIS A 594 19.592 -0.317 -4.399 1.00 0.00 C ATOM 137 O HIS A 594 18.902 -0.886 -5.246 1.00 0.00 O ATOM 138 CB HIS A 594 21.541 -1.671 -5.274 1.00 0.00 C ATOM 139 CG HIS A 594 21.150 -3.042 -4.803 1.00 0.00 C ATOM 140 ND1 HIS A 594 19.877 -3.547 -4.923 1.00 0.00 N ATOM 141 CD2 HIS A 594 21.890 -4.032 -4.261 1.00 0.00 C ATOM 142 CE1 HIS A 594 19.852 -4.787 -4.474 1.00 0.00 C ATOM 143 NE2 HIS A 594 21.063 -5.111 -4.066 1.00 0.00 N ATOM 0 HA HIS A 594 21.567 0.407 -4.795 1.00 0.00 H new ATOM 0 HB2 HIS A 594 21.119 -1.517 -6.267 1.00 0.00 H new ATOM 0 HB3 HIS A 594 22.625 -1.642 -5.381 1.00 0.00 H new ATOM 0 HD1 HIS A 594 19.076 -3.041 -5.301 1.00 0.00 H new ATOM 0 HD2 HIS A 594 22.942 -3.984 -4.023 1.00 0.00 H new ATOM 0 HE1 HIS A 594 18.984 -5.430 -4.445 1.00 0.00 H new ATOM 152 N VAL A 595 19.076 0.457 -3.453 1.00 0.00 N ATOM 153 CA VAL A 595 17.679 0.876 -3.470 1.00 0.00 C ATOM 154 C VAL A 595 17.590 2.368 -3.175 1.00 0.00 C ATOM 155 O VAL A 595 18.229 2.863 -2.245 1.00 0.00 O ATOM 156 CB VAL A 595 16.829 0.101 -2.437 1.00 0.00 C ATOM 157 CG1 VAL A 595 15.435 0.712 -2.299 1.00 0.00 C ATOM 158 CG2 VAL A 595 16.726 -1.369 -2.813 1.00 0.00 C ATOM 0 H VAL A 595 19.608 0.810 -2.658 1.00 0.00 H new ATOM 0 HA VAL A 595 17.282 0.659 -4.462 1.00 0.00 H new ATOM 0 HB VAL A 595 17.332 0.178 -1.473 1.00 0.00 H new ATOM 0 HG11 VAL A 595 14.861 0.146 -1.566 1.00 0.00 H new ATOM 0 HG12 VAL A 595 15.523 1.748 -1.970 1.00 0.00 H new ATOM 0 HG13 VAL A 595 14.926 0.679 -3.262 1.00 0.00 H new ATOM 0 HG21 VAL A 595 16.123 -1.893 -2.071 1.00 0.00 H new ATOM 0 HG22 VAL A 595 16.257 -1.462 -3.793 1.00 0.00 H new ATOM 0 HG23 VAL A 595 17.724 -1.807 -2.845 1.00 0.00 H new ATOM 168 N THR A 596 16.815 3.081 -3.976 1.00 0.00 N ATOM 169 CA THR A 596 16.636 4.509 -3.786 1.00 0.00 C ATOM 170 C THR A 596 15.393 4.813 -2.951 1.00 0.00 C ATOM 171 O THR A 596 14.533 3.948 -2.762 1.00 0.00 O ATOM 172 CB THR A 596 16.568 5.242 -5.149 1.00 0.00 C ATOM 173 OG1 THR A 596 16.152 6.604 -4.979 1.00 0.00 O ATOM 174 CG2 THR A 596 15.630 4.530 -6.112 1.00 0.00 C ATOM 0 H THR A 596 16.299 2.692 -4.765 1.00 0.00 H new ATOM 0 HA THR A 596 17.503 4.877 -3.238 1.00 0.00 H new ATOM 0 HB THR A 596 17.572 5.232 -5.574 1.00 0.00 H new ATOM 0 HG1 THR A 596 16.118 7.047 -5.852 1.00 0.00 H new ATOM 0 HG21 THR A 596 15.604 5.069 -7.059 1.00 0.00 H new ATOM 0 HG22 THR A 596 15.986 3.514 -6.282 1.00 0.00 H new ATOM 0 HG23 THR A 596 14.627 4.497 -5.686 1.00 0.00 H new ATOM 182 N GLN A 597 15.314 6.036 -2.440 1.00 0.00 N ATOM 183 CA GLN A 597 14.157 6.489 -1.679 1.00 0.00 C ATOM 184 C GLN A 597 12.925 6.497 -2.576 1.00 0.00 C ATOM 185 O GLN A 597 11.833 6.096 -2.170 1.00 0.00 O ATOM 186 CB GLN A 597 14.415 7.901 -1.142 1.00 0.00 C ATOM 187 CG GLN A 597 13.324 8.427 -0.221 1.00 0.00 C ATOM 188 CD GLN A 597 13.251 7.683 1.099 1.00 0.00 C ATOM 189 OE1 GLN A 597 14.387 7.191 1.572 1.00 0.00 O flip ATOM 190 NE2 GLN A 597 12.182 7.563 1.695 1.00 0.00 N flip ATOM 0 H GLN A 597 16.047 6.738 -2.541 1.00 0.00 H new ATOM 0 HA GLN A 597 13.988 5.811 -0.842 1.00 0.00 H new ATOM 0 HB2 GLN A 597 15.363 7.905 -0.604 1.00 0.00 H new ATOM 0 HB3 GLN A 597 14.524 8.584 -1.985 1.00 0.00 H new ATOM 0 HG2 GLN A 597 13.500 9.485 -0.026 1.00 0.00 H new ATOM 0 HG3 GLN A 597 12.362 8.352 -0.727 1.00 0.00 H new ATOM 0 HE21 GLN A 597 11.329 7.956 1.297 1.00 0.00 H new ATOM 0 HE22 GLN A 597 12.148 7.070 2.587 1.00 0.00 H new ATOM 199 N ASP A 598 13.143 6.935 -3.812 1.00 0.00 N ATOM 200 CA ASP A 598 12.073 7.065 -4.796 1.00 0.00 C ATOM 201 C ASP A 598 11.384 5.729 -5.036 1.00 0.00 C ATOM 202 O ASP A 598 10.168 5.674 -5.212 1.00 0.00 O ATOM 203 CB ASP A 598 12.607 7.628 -6.116 1.00 0.00 C ATOM 204 CG ASP A 598 11.504 7.834 -7.134 1.00 0.00 C ATOM 205 OD1 ASP A 598 10.748 8.819 -7.003 1.00 0.00 O ATOM 206 OD2 ASP A 598 11.383 7.010 -8.066 1.00 0.00 O ATOM 0 H ASP A 598 14.062 7.209 -4.159 1.00 0.00 H new ATOM 0 HA ASP A 598 11.339 7.763 -4.393 1.00 0.00 H new ATOM 0 HB2 ASP A 598 13.109 8.577 -5.928 1.00 0.00 H new ATOM 0 HB3 ASP A 598 13.354 6.948 -6.524 1.00 0.00 H new ATOM 211 N LEU A 599 12.167 4.658 -5.053 1.00 0.00 N ATOM 212 CA LEU A 599 11.635 3.321 -5.259 1.00 0.00 C ATOM 213 C LEU A 599 10.527 3.009 -4.253 1.00 0.00 C ATOM 214 O LEU A 599 9.438 2.577 -4.631 1.00 0.00 O ATOM 215 CB LEU A 599 12.764 2.283 -5.143 1.00 0.00 C ATOM 216 CG LEU A 599 12.406 0.900 -5.663 1.00 0.00 C ATOM 217 CD1 LEU A 599 12.257 0.949 -7.169 1.00 0.00 C ATOM 218 CD2 LEU A 599 13.455 -0.116 -5.253 1.00 0.00 C ATOM 0 H LEU A 599 13.178 4.692 -4.926 1.00 0.00 H new ATOM 0 HA LEU A 599 11.206 3.274 -6.260 1.00 0.00 H new ATOM 0 HB2 LEU A 599 13.634 2.649 -5.689 1.00 0.00 H new ATOM 0 HB3 LEU A 599 13.057 2.199 -4.096 1.00 0.00 H new ATOM 0 HG LEU A 599 11.458 0.588 -5.225 1.00 0.00 H new ATOM 0 HD11 LEU A 599 12.000 -0.043 -7.542 1.00 0.00 H new ATOM 0 HD12 LEU A 599 11.467 1.652 -7.434 1.00 0.00 H new ATOM 0 HD13 LEU A 599 13.196 1.273 -7.617 1.00 0.00 H new ATOM 0 HD21 LEU A 599 13.179 -1.099 -5.636 1.00 0.00 H new ATOM 0 HD22 LEU A 599 14.422 0.174 -5.663 1.00 0.00 H new ATOM 0 HD23 LEU A 599 13.519 -0.155 -4.166 1.00 0.00 H new ATOM 230 N ARG A 600 10.802 3.253 -2.978 1.00 0.00 N ATOM 231 CA ARG A 600 9.826 2.989 -1.924 1.00 0.00 C ATOM 232 C ARG A 600 8.597 3.882 -2.036 1.00 0.00 C ATOM 233 O ARG A 600 7.471 3.407 -1.898 1.00 0.00 O ATOM 234 CB ARG A 600 10.451 3.137 -0.543 1.00 0.00 C ATOM 235 CG ARG A 600 11.343 1.971 -0.172 1.00 0.00 C ATOM 236 CD ARG A 600 11.639 1.951 1.315 1.00 0.00 C ATOM 237 NE ARG A 600 12.636 2.947 1.700 1.00 0.00 N ATOM 238 CZ ARG A 600 12.454 3.856 2.655 1.00 0.00 C ATOM 239 NH1 ARG A 600 11.265 4.019 3.218 1.00 0.00 N ATOM 240 NH2 ARG A 600 13.464 4.625 3.028 1.00 0.00 N ATOM 0 H ARG A 600 11.689 3.632 -2.648 1.00 0.00 H new ATOM 0 HA ARG A 600 9.501 1.957 -2.057 1.00 0.00 H new ATOM 0 HB2 ARG A 600 11.033 4.058 -0.510 1.00 0.00 H new ATOM 0 HB3 ARG A 600 9.659 3.233 0.200 1.00 0.00 H new ATOM 0 HG2 ARG A 600 10.862 1.037 -0.461 1.00 0.00 H new ATOM 0 HG3 ARG A 600 12.277 2.034 -0.730 1.00 0.00 H new ATOM 0 HD2 ARG A 600 10.717 2.131 1.868 1.00 0.00 H new ATOM 0 HD3 ARG A 600 11.992 0.960 1.599 1.00 0.00 H new ATOM 0 HE ARG A 600 13.528 2.946 1.206 1.00 0.00 H new ATOM 0 HH11 ARG A 600 10.477 3.444 2.920 1.00 0.00 H new ATOM 0 HH12 ARG A 600 11.138 4.719 3.949 1.00 0.00 H new ATOM 0 HH21 ARG A 600 14.376 4.520 2.584 1.00 0.00 H new ATOM 0 HH22 ARG A 600 13.330 5.323 3.759 1.00 0.00 H new ATOM 254 N SER A 601 8.802 5.167 -2.295 1.00 0.00 N ATOM 255 CA SER A 601 7.689 6.106 -2.378 1.00 0.00 C ATOM 256 C SER A 601 6.788 5.748 -3.556 1.00 0.00 C ATOM 257 O SER A 601 5.559 5.837 -3.473 1.00 0.00 O ATOM 258 CB SER A 601 8.204 7.544 -2.499 1.00 0.00 C ATOM 259 OG SER A 601 9.096 7.680 -3.592 1.00 0.00 O ATOM 0 H SER A 601 9.721 5.581 -2.450 1.00 0.00 H new ATOM 0 HA SER A 601 7.102 6.037 -1.462 1.00 0.00 H new ATOM 0 HB2 SER A 601 7.362 8.225 -2.627 1.00 0.00 H new ATOM 0 HB3 SER A 601 8.709 7.831 -1.577 1.00 0.00 H new ATOM 0 HG SER A 601 9.308 6.794 -3.953 1.00 0.00 H new ATOM 265 N HIS A 602 7.416 5.347 -4.655 1.00 0.00 N ATOM 266 CA HIS A 602 6.699 4.893 -5.844 1.00 0.00 C ATOM 267 C HIS A 602 5.758 3.744 -5.487 1.00 0.00 C ATOM 268 O HIS A 602 4.577 3.758 -5.838 1.00 0.00 O ATOM 269 CB HIS A 602 7.699 4.436 -6.917 1.00 0.00 C ATOM 270 CG HIS A 602 7.131 4.368 -8.301 1.00 0.00 C ATOM 271 ND1 HIS A 602 7.489 5.242 -9.302 1.00 0.00 N ATOM 272 CD2 HIS A 602 6.248 3.507 -8.857 1.00 0.00 C ATOM 273 CE1 HIS A 602 6.853 4.921 -10.412 1.00 0.00 C ATOM 274 NE2 HIS A 602 6.093 3.871 -10.170 1.00 0.00 N ATOM 0 H HIS A 602 8.431 5.327 -4.749 1.00 0.00 H new ATOM 0 HA HIS A 602 6.109 5.722 -6.236 1.00 0.00 H new ATOM 0 HB2 HIS A 602 8.549 5.119 -6.919 1.00 0.00 H new ATOM 0 HB3 HIS A 602 8.081 3.452 -6.645 1.00 0.00 H new ATOM 0 HD2 HIS A 602 5.756 2.685 -8.359 1.00 0.00 H new ATOM 0 HE1 HIS A 602 6.940 5.432 -11.359 1.00 0.00 H new ATOM 0 HE2 HIS A 602 5.489 3.406 -10.848 1.00 0.00 H new ATOM 283 N LEU A 603 6.294 2.759 -4.777 1.00 0.00 N ATOM 284 CA LEU A 603 5.532 1.578 -4.382 1.00 0.00 C ATOM 285 C LEU A 603 4.366 1.930 -3.461 1.00 0.00 C ATOM 286 O LEU A 603 3.283 1.356 -3.579 1.00 0.00 O ATOM 287 CB LEU A 603 6.442 0.552 -3.709 1.00 0.00 C ATOM 288 CG LEU A 603 7.630 0.090 -4.560 1.00 0.00 C ATOM 289 CD1 LEU A 603 8.540 -0.825 -3.758 1.00 0.00 C ATOM 290 CD2 LEU A 603 7.147 -0.615 -5.820 1.00 0.00 C ATOM 0 H LEU A 603 7.263 2.754 -4.460 1.00 0.00 H new ATOM 0 HA LEU A 603 5.115 1.145 -5.292 1.00 0.00 H new ATOM 0 HB2 LEU A 603 6.822 0.978 -2.781 1.00 0.00 H new ATOM 0 HB3 LEU A 603 5.846 -0.320 -3.439 1.00 0.00 H new ATOM 0 HG LEU A 603 8.199 0.971 -4.855 1.00 0.00 H new ATOM 0 HD11 LEU A 603 9.377 -1.142 -4.380 1.00 0.00 H new ATOM 0 HD12 LEU A 603 8.918 -0.290 -2.887 1.00 0.00 H new ATOM 0 HD13 LEU A 603 7.979 -1.701 -3.431 1.00 0.00 H new ATOM 0 HD21 LEU A 603 8.006 -0.935 -6.410 1.00 0.00 H new ATOM 0 HD22 LEU A 603 6.552 -1.485 -5.544 1.00 0.00 H new ATOM 0 HD23 LEU A 603 6.537 0.070 -6.409 1.00 0.00 H new ATOM 302 N VAL A 604 4.584 2.878 -2.555 1.00 0.00 N ATOM 303 CA VAL A 604 3.556 3.276 -1.596 1.00 0.00 C ATOM 304 C VAL A 604 2.321 3.805 -2.320 1.00 0.00 C ATOM 305 O VAL A 604 1.186 3.495 -1.949 1.00 0.00 O ATOM 306 CB VAL A 604 4.084 4.358 -0.624 1.00 0.00 C ATOM 307 CG1 VAL A 604 2.955 4.947 0.209 1.00 0.00 C ATOM 308 CG2 VAL A 604 5.151 3.780 0.285 1.00 0.00 C ATOM 0 H VAL A 604 5.464 3.386 -2.464 1.00 0.00 H new ATOM 0 HA VAL A 604 3.286 2.390 -1.021 1.00 0.00 H new ATOM 0 HB VAL A 604 4.521 5.157 -1.222 1.00 0.00 H new ATOM 0 HG11 VAL A 604 3.357 5.704 0.882 1.00 0.00 H new ATOM 0 HG12 VAL A 604 2.216 5.403 -0.450 1.00 0.00 H new ATOM 0 HG13 VAL A 604 2.483 4.157 0.792 1.00 0.00 H new ATOM 0 HG21 VAL A 604 5.511 4.555 0.962 1.00 0.00 H new ATOM 0 HG22 VAL A 604 4.729 2.959 0.865 1.00 0.00 H new ATOM 0 HG23 VAL A 604 5.981 3.410 -0.317 1.00 0.00 H new ATOM 318 N HIS A 605 2.553 4.581 -3.371 1.00 0.00 N ATOM 319 CA HIS A 605 1.464 5.173 -4.144 1.00 0.00 C ATOM 320 C HIS A 605 0.597 4.100 -4.789 1.00 0.00 C ATOM 321 O HIS A 605 -0.616 4.259 -4.861 1.00 0.00 O ATOM 322 CB HIS A 605 1.984 6.163 -5.191 1.00 0.00 C ATOM 323 CG HIS A 605 2.407 7.470 -4.594 1.00 0.00 C ATOM 324 ND1 HIS A 605 3.670 7.702 -4.097 1.00 0.00 N ATOM 325 CD2 HIS A 605 1.711 8.613 -4.391 1.00 0.00 C ATOM 326 CE1 HIS A 605 3.729 8.929 -3.614 1.00 0.00 C ATOM 327 NE2 HIS A 605 2.554 9.505 -3.779 1.00 0.00 N ATOM 0 H HIS A 605 3.486 4.816 -3.710 1.00 0.00 H new ATOM 0 HA HIS A 605 0.841 5.733 -3.446 1.00 0.00 H new ATOM 0 HB2 HIS A 605 2.829 5.718 -5.717 1.00 0.00 H new ATOM 0 HB3 HIS A 605 1.206 6.342 -5.933 1.00 0.00 H new ATOM 0 HD1 HIS A 605 4.439 7.032 -4.101 1.00 0.00 H new ATOM 0 HD2 HIS A 605 0.681 8.790 -4.661 1.00 0.00 H new ATOM 0 HE1 HIS A 605 4.596 9.386 -3.159 1.00 0.00 H new ATOM 336 N LYS A 606 1.216 3.016 -5.258 1.00 0.00 N ATOM 337 CA LYS A 606 0.468 1.908 -5.852 1.00 0.00 C ATOM 338 C LYS A 606 -0.585 1.380 -4.879 1.00 0.00 C ATOM 339 O LYS A 606 -1.731 1.133 -5.260 1.00 0.00 O ATOM 340 CB LYS A 606 1.403 0.763 -6.253 1.00 0.00 C ATOM 341 CG LYS A 606 2.327 1.086 -7.416 1.00 0.00 C ATOM 342 CD LYS A 606 3.192 -0.115 -7.770 1.00 0.00 C ATOM 343 CE LYS A 606 4.077 0.158 -8.975 1.00 0.00 C ATOM 344 NZ LYS A 606 3.286 0.410 -10.209 1.00 0.00 N ATOM 0 H LYS A 606 2.227 2.882 -5.238 1.00 0.00 H new ATOM 0 HA LYS A 606 -0.026 2.292 -6.745 1.00 0.00 H new ATOM 0 HB2 LYS A 606 2.008 0.485 -5.390 1.00 0.00 H new ATOM 0 HB3 LYS A 606 0.801 -0.107 -6.514 1.00 0.00 H new ATOM 0 HG2 LYS A 606 1.737 1.383 -8.283 1.00 0.00 H new ATOM 0 HG3 LYS A 606 2.962 1.933 -7.157 1.00 0.00 H new ATOM 0 HD2 LYS A 606 3.815 -0.378 -6.915 1.00 0.00 H new ATOM 0 HD3 LYS A 606 2.553 -0.974 -7.976 1.00 0.00 H new ATOM 0 HE2 LYS A 606 4.711 1.021 -8.770 1.00 0.00 H new ATOM 0 HE3 LYS A 606 4.739 -0.693 -9.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 606 3.914 0.372 -11.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 606 2.547 -0.315 -10.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 606 2.844 1.350 -10.152 1.00 0.00 H new ATOM 358 N LEU A 607 -0.183 1.212 -3.623 1.00 0.00 N ATOM 359 CA LEU A 607 -1.075 0.708 -2.587 1.00 0.00 C ATOM 360 C LEU A 607 -2.212 1.702 -2.338 1.00 0.00 C ATOM 361 O LEU A 607 -3.377 1.317 -2.232 1.00 0.00 O ATOM 362 CB LEU A 607 -0.278 0.444 -1.302 1.00 0.00 C ATOM 363 CG LEU A 607 -0.922 -0.522 -0.299 1.00 0.00 C ATOM 364 CD1 LEU A 607 0.131 -1.075 0.647 1.00 0.00 C ATOM 365 CD2 LEU A 607 -2.019 0.168 0.496 1.00 0.00 C ATOM 0 H LEU A 607 0.761 1.419 -3.298 1.00 0.00 H new ATOM 0 HA LEU A 607 -1.518 -0.232 -2.917 1.00 0.00 H new ATOM 0 HB2 LEU A 607 0.700 0.051 -1.579 1.00 0.00 H new ATOM 0 HB3 LEU A 607 -0.108 1.397 -0.801 1.00 0.00 H new ATOM 0 HG LEU A 607 -1.368 -1.343 -0.860 1.00 0.00 H new ATOM 0 HD11 LEU A 607 -0.338 -1.759 1.354 1.00 0.00 H new ATOM 0 HD12 LEU A 607 0.890 -1.609 0.075 1.00 0.00 H new ATOM 0 HD13 LEU A 607 0.598 -0.254 1.192 1.00 0.00 H new ATOM 0 HD21 LEU A 607 -2.459 -0.539 1.199 1.00 0.00 H new ATOM 0 HD22 LEU A 607 -1.596 1.010 1.044 1.00 0.00 H new ATOM 0 HD23 LEU A 607 -2.790 0.529 -0.185 1.00 0.00 H new ATOM 377 N VAL A 608 -1.865 2.984 -2.271 1.00 0.00 N ATOM 378 CA VAL A 608 -2.848 4.050 -2.083 1.00 0.00 C ATOM 379 C VAL A 608 -3.806 4.123 -3.275 1.00 0.00 C ATOM 380 O VAL A 608 -5.020 4.262 -3.109 1.00 0.00 O ATOM 381 CB VAL A 608 -2.145 5.418 -1.911 1.00 0.00 C ATOM 382 CG1 VAL A 608 -3.155 6.548 -1.785 1.00 0.00 C ATOM 383 CG2 VAL A 608 -1.227 5.390 -0.702 1.00 0.00 C ATOM 0 H VAL A 608 -0.902 3.313 -2.345 1.00 0.00 H new ATOM 0 HA VAL A 608 -3.415 3.820 -1.181 1.00 0.00 H new ATOM 0 HB VAL A 608 -1.548 5.603 -2.804 1.00 0.00 H new ATOM 0 HG11 VAL A 608 -2.629 7.495 -1.666 1.00 0.00 H new ATOM 0 HG12 VAL A 608 -3.772 6.587 -2.683 1.00 0.00 H new ATOM 0 HG13 VAL A 608 -3.790 6.374 -0.916 1.00 0.00 H new ATOM 0 HG21 VAL A 608 -0.739 6.359 -0.593 1.00 0.00 H new ATOM 0 HG22 VAL A 608 -1.811 5.175 0.193 1.00 0.00 H new ATOM 0 HG23 VAL A 608 -0.471 4.616 -0.837 1.00 0.00 H new ATOM 393 N GLN A 609 -3.241 4.018 -4.472 1.00 0.00 N ATOM 394 CA GLN A 609 -4.000 4.082 -5.714 1.00 0.00 C ATOM 395 C GLN A 609 -5.022 2.950 -5.768 1.00 0.00 C ATOM 396 O GLN A 609 -6.158 3.136 -6.201 1.00 0.00 O ATOM 397 CB GLN A 609 -3.036 3.969 -6.904 1.00 0.00 C ATOM 398 CG GLN A 609 -3.650 4.293 -8.259 1.00 0.00 C ATOM 399 CD GLN A 609 -4.025 5.756 -8.386 1.00 0.00 C ATOM 400 OE1 GLN A 609 -5.145 6.155 -8.084 1.00 0.00 O ATOM 401 NE2 GLN A 609 -3.079 6.569 -8.832 1.00 0.00 N ATOM 0 H GLN A 609 -2.239 3.885 -4.608 1.00 0.00 H new ATOM 0 HA GLN A 609 -4.530 5.033 -5.761 1.00 0.00 H new ATOM 0 HB2 GLN A 609 -2.192 4.638 -6.734 1.00 0.00 H new ATOM 0 HB3 GLN A 609 -2.637 2.955 -6.935 1.00 0.00 H new ATOM 0 HG2 GLN A 609 -2.944 4.032 -9.047 1.00 0.00 H new ATOM 0 HG3 GLN A 609 -4.538 3.678 -8.409 1.00 0.00 H new ATOM 0 HE21 GLN A 609 -2.160 6.198 -9.073 1.00 0.00 H new ATOM 0 HE22 GLN A 609 -3.270 7.566 -8.935 1.00 0.00 H new ATOM 410 N ALA A 610 -4.593 1.776 -5.315 1.00 0.00 N ATOM 411 CA ALA A 610 -5.429 0.584 -5.313 1.00 0.00 C ATOM 412 C ALA A 610 -6.702 0.776 -4.496 1.00 0.00 C ATOM 413 O ALA A 610 -7.774 0.312 -4.890 1.00 0.00 O ATOM 414 CB ALA A 610 -4.644 -0.608 -4.785 1.00 0.00 C ATOM 0 H ALA A 610 -3.657 1.626 -4.940 1.00 0.00 H new ATOM 0 HA ALA A 610 -5.728 0.395 -6.344 1.00 0.00 H new ATOM 0 HB1 ALA A 610 -5.280 -1.493 -4.789 1.00 0.00 H new ATOM 0 HB2 ALA A 610 -3.776 -0.783 -5.421 1.00 0.00 H new ATOM 0 HB3 ALA A 610 -4.313 -0.403 -3.767 1.00 0.00 H new ATOM 420 N ILE A 611 -6.587 1.454 -3.358 1.00 0.00 N ATOM 421 CA ILE A 611 -7.719 1.599 -2.451 1.00 0.00 C ATOM 422 C ILE A 611 -8.716 2.638 -2.979 1.00 0.00 C ATOM 423 O ILE A 611 -9.925 2.467 -2.830 1.00 0.00 O ATOM 424 CB ILE A 611 -7.264 1.986 -0.987 1.00 0.00 C ATOM 425 CG1 ILE A 611 -6.396 0.885 -0.332 1.00 0.00 C ATOM 426 CG2 ILE A 611 -8.459 2.308 -0.086 1.00 0.00 C ATOM 427 CD1 ILE A 611 -5.452 1.414 0.729 1.00 0.00 C ATOM 0 H ILE A 611 -5.729 1.908 -3.044 1.00 0.00 H new ATOM 0 HA ILE A 611 -8.209 0.626 -2.403 1.00 0.00 H new ATOM 0 HB ILE A 611 -6.654 2.883 -1.090 1.00 0.00 H new ATOM 0 HG12 ILE A 611 -7.049 0.135 0.115 1.00 0.00 H new ATOM 0 HG13 ILE A 611 -5.816 0.382 -1.106 1.00 0.00 H new ATOM 0 HG21 ILE A 611 -8.103 2.569 0.911 1.00 0.00 H new ATOM 0 HG22 ILE A 611 -9.014 3.147 -0.504 1.00 0.00 H new ATOM 0 HG23 ILE A 611 -9.111 1.437 -0.022 1.00 0.00 H new ATOM 0 HD11 ILE A 611 -4.874 0.589 1.146 1.00 0.00 H new ATOM 0 HD12 ILE A 611 -4.775 2.142 0.283 1.00 0.00 H new ATOM 0 HD13 ILE A 611 -6.027 1.892 1.522 1.00 0.00 H new ATOM 439 N PHE A 612 -8.226 3.686 -3.635 1.00 0.00 N ATOM 440 CA PHE A 612 -9.099 4.764 -4.080 1.00 0.00 C ATOM 441 C PHE A 612 -8.457 5.509 -5.250 1.00 0.00 C ATOM 442 O PHE A 612 -7.642 6.411 -5.048 1.00 0.00 O ATOM 443 CB PHE A 612 -9.388 5.721 -2.916 1.00 0.00 C ATOM 444 CG PHE A 612 -10.614 6.571 -3.110 1.00 0.00 C ATOM 445 CD1 PHE A 612 -11.811 6.004 -3.522 1.00 0.00 C ATOM 446 CD2 PHE A 612 -10.572 7.933 -2.869 1.00 0.00 C ATOM 447 CE1 PHE A 612 -12.940 6.782 -3.692 1.00 0.00 C ATOM 448 CE2 PHE A 612 -11.699 8.715 -3.036 1.00 0.00 C ATOM 449 CZ PHE A 612 -12.883 8.139 -3.449 1.00 0.00 C ATOM 0 H PHE A 612 -7.241 3.810 -3.867 1.00 0.00 H new ATOM 0 HA PHE A 612 -10.045 4.342 -4.420 1.00 0.00 H new ATOM 0 HB2 PHE A 612 -9.503 5.139 -2.001 1.00 0.00 H new ATOM 0 HB3 PHE A 612 -8.526 6.373 -2.773 1.00 0.00 H new ATOM 0 HD1 PHE A 612 -11.861 4.942 -3.712 1.00 0.00 H new ATOM 0 HD2 PHE A 612 -9.648 8.390 -2.547 1.00 0.00 H new ATOM 0 HE1 PHE A 612 -13.866 6.329 -4.015 1.00 0.00 H new ATOM 0 HE2 PHE A 612 -11.653 9.777 -2.843 1.00 0.00 H new ATOM 0 HZ PHE A 612 -13.764 8.750 -3.582 1.00 0.00 H new ATOM 459 N PRO A 613 -8.813 5.136 -6.491 1.00 0.00 N ATOM 460 CA PRO A 613 -8.158 5.678 -7.688 1.00 0.00 C ATOM 461 C PRO A 613 -8.640 7.080 -8.057 1.00 0.00 C ATOM 462 O PRO A 613 -7.890 7.864 -8.634 1.00 0.00 O ATOM 463 CB PRO A 613 -8.537 4.678 -8.786 1.00 0.00 C ATOM 464 CG PRO A 613 -9.821 4.053 -8.331 1.00 0.00 C ATOM 465 CD PRO A 613 -9.868 4.149 -6.822 1.00 0.00 C ATOM 0 HA PRO A 613 -7.084 5.789 -7.536 1.00 0.00 H new ATOM 0 HB2 PRO A 613 -8.662 5.178 -9.746 1.00 0.00 H new ATOM 0 HB3 PRO A 613 -7.759 3.926 -8.918 1.00 0.00 H new ATOM 0 HG2 PRO A 613 -10.675 4.566 -8.774 1.00 0.00 H new ATOM 0 HG3 PRO A 613 -9.874 3.012 -8.650 1.00 0.00 H new ATOM 0 HD2 PRO A 613 -10.847 4.479 -6.474 1.00 0.00 H new ATOM 0 HD3 PRO A 613 -9.672 3.184 -6.355 1.00 0.00 H new ATOM 473 N THR A 614 -9.889 7.389 -7.739 1.00 0.00 N ATOM 474 CA THR A 614 -10.461 8.691 -8.065 1.00 0.00 C ATOM 475 C THR A 614 -9.940 9.788 -7.134 1.00 0.00 C ATOM 476 O THR A 614 -10.254 9.799 -5.941 1.00 0.00 O ATOM 477 CB THR A 614 -11.998 8.649 -7.994 1.00 0.00 C ATOM 478 OG1 THR A 614 -12.406 8.075 -6.746 1.00 0.00 O ATOM 479 CG2 THR A 614 -12.567 7.835 -9.144 1.00 0.00 C ATOM 0 H THR A 614 -10.527 6.757 -7.256 1.00 0.00 H new ATOM 0 HA THR A 614 -10.152 8.926 -9.084 1.00 0.00 H new ATOM 0 HB THR A 614 -12.378 9.668 -8.070 1.00 0.00 H new ATOM 0 HG1 THR A 614 -11.816 8.393 -6.031 1.00 0.00 H new ATOM 0 HG21 THR A 614 -13.655 7.818 -9.075 1.00 0.00 H new ATOM 0 HG22 THR A 614 -12.271 8.286 -10.091 1.00 0.00 H new ATOM 0 HG23 THR A 614 -12.184 6.816 -9.093 1.00 0.00 H new ATOM 487 N PRO A 615 -9.136 10.727 -7.665 1.00 0.00 N ATOM 488 CA PRO A 615 -8.608 11.856 -6.895 1.00 0.00 C ATOM 489 C PRO A 615 -9.648 12.958 -6.735 1.00 0.00 C ATOM 490 O PRO A 615 -9.568 14.008 -7.377 1.00 0.00 O ATOM 491 CB PRO A 615 -7.420 12.355 -7.741 1.00 0.00 C ATOM 492 CG PRO A 615 -7.292 11.371 -8.872 1.00 0.00 C ATOM 493 CD PRO A 615 -8.663 10.781 -9.052 1.00 0.00 C ATOM 0 HA PRO A 615 -8.324 11.568 -5.883 1.00 0.00 H new ATOM 0 HB2 PRO A 615 -7.601 13.363 -8.116 1.00 0.00 H new ATOM 0 HB3 PRO A 615 -6.505 12.394 -7.149 1.00 0.00 H new ATOM 0 HG2 PRO A 615 -6.955 11.864 -9.784 1.00 0.00 H new ATOM 0 HG3 PRO A 615 -6.560 10.598 -8.638 1.00 0.00 H new ATOM 0 HD2 PRO A 615 -9.300 11.404 -9.680 1.00 0.00 H new ATOM 0 HD3 PRO A 615 -8.629 9.794 -9.514 1.00 0.00 H new ATOM 501 N ASP A 616 -10.627 12.703 -5.885 1.00 0.00 N ATOM 502 CA ASP A 616 -11.690 13.668 -5.620 1.00 0.00 C ATOM 503 C ASP A 616 -11.131 14.852 -4.840 1.00 0.00 C ATOM 504 O ASP A 616 -10.476 14.668 -3.815 1.00 0.00 O ATOM 505 CB ASP A 616 -12.826 13.009 -4.821 1.00 0.00 C ATOM 506 CG ASP A 616 -13.971 13.963 -4.558 1.00 0.00 C ATOM 507 OD1 ASP A 616 -14.894 14.031 -5.393 1.00 0.00 O ATOM 508 OD2 ASP A 616 -13.957 14.644 -3.511 1.00 0.00 O ATOM 0 H ASP A 616 -10.712 11.832 -5.362 1.00 0.00 H new ATOM 0 HA ASP A 616 -12.089 14.018 -6.572 1.00 0.00 H new ATOM 0 HB2 ASP A 616 -13.197 12.142 -5.368 1.00 0.00 H new ATOM 0 HB3 ASP A 616 -12.435 12.644 -3.871 1.00 0.00 H new ATOM 513 N PRO A 617 -11.373 16.085 -5.331 1.00 0.00 N ATOM 514 CA PRO A 617 -10.829 17.312 -4.731 1.00 0.00 C ATOM 515 C PRO A 617 -11.189 17.476 -3.255 1.00 0.00 C ATOM 516 O PRO A 617 -10.465 18.134 -2.510 1.00 0.00 O ATOM 517 CB PRO A 617 -11.456 18.450 -5.558 1.00 0.00 C ATOM 518 CG PRO A 617 -12.572 17.822 -6.318 1.00 0.00 C ATOM 519 CD PRO A 617 -12.176 16.387 -6.529 1.00 0.00 C ATOM 0 HA PRO A 617 -9.739 17.299 -4.753 1.00 0.00 H new ATOM 0 HB2 PRO A 617 -11.821 19.249 -4.913 1.00 0.00 H new ATOM 0 HB3 PRO A 617 -10.724 18.895 -6.232 1.00 0.00 H new ATOM 0 HG2 PRO A 617 -13.508 17.891 -5.764 1.00 0.00 H new ATOM 0 HG3 PRO A 617 -12.728 18.328 -7.271 1.00 0.00 H new ATOM 0 HD2 PRO A 617 -13.046 15.735 -6.606 1.00 0.00 H new ATOM 0 HD3 PRO A 617 -11.599 16.258 -7.445 1.00 0.00 H new ATOM 527 N ALA A 618 -12.300 16.889 -2.833 1.00 0.00 N ATOM 528 CA ALA A 618 -12.708 16.970 -1.439 1.00 0.00 C ATOM 529 C ALA A 618 -12.046 15.863 -0.634 1.00 0.00 C ATOM 530 O ALA A 618 -11.519 16.102 0.451 1.00 0.00 O ATOM 531 CB ALA A 618 -14.222 16.892 -1.312 1.00 0.00 C ATOM 0 H ALA A 618 -12.931 16.355 -3.431 1.00 0.00 H new ATOM 0 HA ALA A 618 -12.386 17.932 -1.041 1.00 0.00 H new ATOM 0 HB1 ALA A 618 -14.503 16.955 -0.261 1.00 0.00 H new ATOM 0 HB2 ALA A 618 -14.676 17.719 -1.859 1.00 0.00 H new ATOM 0 HB3 ALA A 618 -14.574 15.947 -1.726 1.00 0.00 H new ATOM 537 N ALA A 619 -12.093 14.649 -1.169 1.00 0.00 N ATOM 538 CA ALA A 619 -11.431 13.501 -0.550 1.00 0.00 C ATOM 539 C ALA A 619 -9.924 13.724 -0.413 1.00 0.00 C ATOM 540 O ALA A 619 -9.299 13.230 0.523 1.00 0.00 O ATOM 541 CB ALA A 619 -11.711 12.239 -1.353 1.00 0.00 C ATOM 0 H ALA A 619 -12.585 14.431 -2.035 1.00 0.00 H new ATOM 0 HA ALA A 619 -11.838 13.383 0.454 1.00 0.00 H new ATOM 0 HB1 ALA A 619 -11.213 11.391 -0.883 1.00 0.00 H new ATOM 0 HB2 ALA A 619 -12.785 12.058 -1.383 1.00 0.00 H new ATOM 0 HB3 ALA A 619 -11.335 12.363 -2.369 1.00 0.00 H new ATOM 547 N LEU A 620 -9.348 14.472 -1.343 1.00 0.00 N ATOM 548 CA LEU A 620 -7.919 14.776 -1.316 1.00 0.00 C ATOM 549 C LEU A 620 -7.591 15.672 -0.120 1.00 0.00 C ATOM 550 O LEU A 620 -6.478 15.657 0.403 1.00 0.00 O ATOM 551 CB LEU A 620 -7.506 15.467 -2.622 1.00 0.00 C ATOM 552 CG LEU A 620 -6.228 14.937 -3.296 1.00 0.00 C ATOM 553 CD1 LEU A 620 -5.016 15.109 -2.394 1.00 0.00 C ATOM 554 CD2 LEU A 620 -6.399 13.478 -3.695 1.00 0.00 C ATOM 0 H LEU A 620 -9.849 14.883 -2.131 1.00 0.00 H new ATOM 0 HA LEU A 620 -7.363 13.844 -1.217 1.00 0.00 H new ATOM 0 HB2 LEU A 620 -8.329 15.379 -3.331 1.00 0.00 H new ATOM 0 HB3 LEU A 620 -7.371 16.530 -2.420 1.00 0.00 H new ATOM 0 HG LEU A 620 -6.057 15.525 -4.198 1.00 0.00 H new ATOM 0 HD11 LEU A 620 -4.129 14.725 -2.899 1.00 0.00 H new ATOM 0 HD12 LEU A 620 -4.877 16.167 -2.170 1.00 0.00 H new ATOM 0 HD13 LEU A 620 -5.172 14.559 -1.466 1.00 0.00 H new ATOM 0 HD21 LEU A 620 -5.485 13.121 -4.170 1.00 0.00 H new ATOM 0 HD22 LEU A 620 -6.604 12.880 -2.807 1.00 0.00 H new ATOM 0 HD23 LEU A 620 -7.230 13.387 -4.394 1.00 0.00 H new ATOM 566 N LYS A 621 -8.573 16.454 0.303 1.00 0.00 N ATOM 567 CA LYS A 621 -8.419 17.336 1.456 1.00 0.00 C ATOM 568 C LYS A 621 -9.047 16.702 2.698 1.00 0.00 C ATOM 569 O LYS A 621 -9.302 17.375 3.699 1.00 0.00 O ATOM 570 CB LYS A 621 -9.072 18.699 1.172 1.00 0.00 C ATOM 571 CG LYS A 621 -8.572 19.372 -0.101 1.00 0.00 C ATOM 572 CD LYS A 621 -7.102 19.754 -0.007 1.00 0.00 C ATOM 573 CE LYS A 621 -6.554 20.207 -1.353 1.00 0.00 C ATOM 574 NZ LYS A 621 -7.326 21.341 -1.928 1.00 0.00 N ATOM 0 H LYS A 621 -9.492 16.497 -0.137 1.00 0.00 H new ATOM 0 HA LYS A 621 -7.355 17.486 1.640 1.00 0.00 H new ATOM 0 HB2 LYS A 621 -10.151 18.565 1.100 1.00 0.00 H new ATOM 0 HB3 LYS A 621 -8.888 19.362 2.018 1.00 0.00 H new ATOM 0 HG2 LYS A 621 -8.718 18.700 -0.947 1.00 0.00 H new ATOM 0 HG3 LYS A 621 -9.166 20.265 -0.296 1.00 0.00 H new ATOM 0 HD2 LYS A 621 -6.979 20.553 0.724 1.00 0.00 H new ATOM 0 HD3 LYS A 621 -6.526 18.901 0.353 1.00 0.00 H new ATOM 0 HE2 LYS A 621 -5.511 20.503 -1.237 1.00 0.00 H new ATOM 0 HE3 LYS A 621 -6.571 19.369 -2.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 621 -6.829 21.712 -2.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 621 -8.272 21.011 -2.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 621 -7.418 22.094 -1.217 1.00 0.00 H new ATOM 588 N ASP A 622 -9.300 15.404 2.622 1.00 0.00 N ATOM 589 CA ASP A 622 -9.977 14.680 3.689 1.00 0.00 C ATOM 590 C ASP A 622 -8.982 13.921 4.563 1.00 0.00 C ATOM 591 O ASP A 622 -8.065 13.269 4.061 1.00 0.00 O ATOM 592 CB ASP A 622 -10.993 13.717 3.076 1.00 0.00 C ATOM 593 CG ASP A 622 -11.585 12.766 4.084 1.00 0.00 C ATOM 594 OD1 ASP A 622 -12.352 13.220 4.959 1.00 0.00 O ATOM 595 OD2 ASP A 622 -11.285 11.562 4.010 1.00 0.00 O ATOM 0 H ASP A 622 -9.043 14.824 1.823 1.00 0.00 H new ATOM 0 HA ASP A 622 -10.492 15.398 4.328 1.00 0.00 H new ATOM 0 HB2 ASP A 622 -11.795 14.291 2.611 1.00 0.00 H new ATOM 0 HB3 ASP A 622 -10.511 13.144 2.284 1.00 0.00 H new ATOM 600 N ARG A 623 -9.163 14.038 5.879 1.00 0.00 N ATOM 601 CA ARG A 623 -8.305 13.377 6.862 1.00 0.00 C ATOM 602 C ARG A 623 -8.381 11.853 6.766 1.00 0.00 C ATOM 603 O ARG A 623 -7.374 11.168 6.946 1.00 0.00 O ATOM 604 CB ARG A 623 -8.675 13.823 8.279 1.00 0.00 C ATOM 605 CG ARG A 623 -8.328 15.272 8.591 1.00 0.00 C ATOM 606 CD ARG A 623 -6.831 15.506 8.529 1.00 0.00 C ATOM 607 NE ARG A 623 -6.465 16.864 8.914 1.00 0.00 N ATOM 608 CZ ARG A 623 -5.229 17.350 8.823 1.00 0.00 C ATOM 609 NH1 ARG A 623 -4.258 16.611 8.295 1.00 0.00 N ATOM 610 NH2 ARG A 623 -4.967 18.584 9.237 1.00 0.00 N ATOM 0 H ARG A 623 -9.910 14.595 6.294 1.00 0.00 H new ATOM 0 HA ARG A 623 -7.280 13.673 6.639 1.00 0.00 H new ATOM 0 HB2 ARG A 623 -9.746 13.679 8.425 1.00 0.00 H new ATOM 0 HB3 ARG A 623 -8.166 13.178 8.995 1.00 0.00 H new ATOM 0 HG2 ARG A 623 -8.831 15.929 7.882 1.00 0.00 H new ATOM 0 HG3 ARG A 623 -8.698 15.531 9.583 1.00 0.00 H new ATOM 0 HD2 ARG A 623 -6.327 14.797 9.186 1.00 0.00 H new ATOM 0 HD3 ARG A 623 -6.477 15.310 7.517 1.00 0.00 H new ATOM 0 HE ARG A 623 -7.197 17.476 9.273 1.00 0.00 H new ATOM 0 HH11 ARG A 623 -4.459 15.669 7.959 1.00 0.00 H new ATOM 0 HH12 ARG A 623 -3.312 16.986 8.226 1.00 0.00 H new ATOM 0 HH21 ARG A 623 -5.713 19.161 9.625 1.00 0.00 H new ATOM 0 HH22 ARG A 623 -4.020 18.955 9.167 1.00 0.00 H new ATOM 624 N ARG A 624 -9.577 11.325 6.518 1.00 0.00 N ATOM 625 CA ARG A 624 -9.781 9.886 6.431 1.00 0.00 C ATOM 626 C ARG A 624 -8.891 9.269 5.350 1.00 0.00 C ATOM 627 O ARG A 624 -8.328 8.188 5.547 1.00 0.00 O ATOM 628 CB ARG A 624 -11.262 9.582 6.176 1.00 0.00 C ATOM 629 CG ARG A 624 -11.556 8.132 5.843 1.00 0.00 C ATOM 630 CD ARG A 624 -13.046 7.900 5.637 1.00 0.00 C ATOM 631 NE ARG A 624 -13.787 7.891 6.899 1.00 0.00 N ATOM 632 CZ ARG A 624 -15.047 8.309 7.034 1.00 0.00 C ATOM 633 NH1 ARG A 624 -15.695 8.846 6.007 1.00 0.00 N ATOM 634 NH2 ARG A 624 -15.655 8.200 8.204 1.00 0.00 N ATOM 0 H ARG A 624 -10.422 11.878 6.373 1.00 0.00 H new ATOM 0 HA ARG A 624 -9.496 9.434 7.381 1.00 0.00 H new ATOM 0 HB2 ARG A 624 -11.835 9.863 7.060 1.00 0.00 H new ATOM 0 HB3 ARG A 624 -11.613 10.209 5.356 1.00 0.00 H new ATOM 0 HG2 ARG A 624 -11.014 7.847 4.941 1.00 0.00 H new ATOM 0 HG3 ARG A 624 -11.195 7.492 6.648 1.00 0.00 H new ATOM 0 HD2 ARG A 624 -13.446 8.679 4.989 1.00 0.00 H new ATOM 0 HD3 ARG A 624 -13.196 6.950 5.124 1.00 0.00 H new ATOM 0 HE ARG A 624 -13.309 7.542 7.730 1.00 0.00 H new ATOM 0 HH11 ARG A 624 -15.230 8.942 5.104 1.00 0.00 H new ATOM 0 HH12 ARG A 624 -16.658 9.162 6.121 1.00 0.00 H new ATOM 0 HH21 ARG A 624 -15.161 7.797 9.000 1.00 0.00 H new ATOM 0 HH22 ARG A 624 -16.618 8.519 8.310 1.00 0.00 H new ATOM 648 N MET A 625 -8.750 9.958 4.217 1.00 0.00 N ATOM 649 CA MET A 625 -7.863 9.487 3.152 1.00 0.00 C ATOM 650 C MET A 625 -6.426 9.337 3.657 1.00 0.00 C ATOM 651 O MET A 625 -5.737 8.380 3.304 1.00 0.00 O ATOM 652 CB MET A 625 -7.911 10.403 1.916 1.00 0.00 C ATOM 653 CG MET A 625 -6.787 10.119 0.918 1.00 0.00 C ATOM 654 SD MET A 625 -6.846 11.172 -0.547 1.00 0.00 S ATOM 655 CE MET A 625 -8.322 10.553 -1.350 1.00 0.00 C ATOM 0 H MET A 625 -9.232 10.834 4.014 1.00 0.00 H new ATOM 0 HA MET A 625 -8.225 8.505 2.847 1.00 0.00 H new ATOM 0 HB2 MET A 625 -8.872 10.280 1.417 1.00 0.00 H new ATOM 0 HB3 MET A 625 -7.849 11.442 2.238 1.00 0.00 H new ATOM 0 HG2 MET A 625 -5.827 10.255 1.415 1.00 0.00 H new ATOM 0 HG3 MET A 625 -6.841 9.075 0.609 1.00 0.00 H new ATOM 0 HE1 MET A 625 -8.055 10.109 -2.309 1.00 0.00 H new ATOM 0 HE2 MET A 625 -8.790 9.798 -0.719 1.00 0.00 H new ATOM 0 HE3 MET A 625 -9.020 11.374 -1.512 1.00 0.00 H new ATOM 665 N GLU A 626 -5.985 10.269 4.498 1.00 0.00 N ATOM 666 CA GLU A 626 -4.621 10.252 5.014 1.00 0.00 C ATOM 667 C GLU A 626 -4.343 8.962 5.777 1.00 0.00 C ATOM 668 O GLU A 626 -3.250 8.407 5.691 1.00 0.00 O ATOM 669 CB GLU A 626 -4.356 11.460 5.910 1.00 0.00 C ATOM 670 CG GLU A 626 -4.559 12.792 5.211 1.00 0.00 C ATOM 671 CD GLU A 626 -4.035 13.956 6.020 1.00 0.00 C ATOM 672 OE1 GLU A 626 -4.536 14.184 7.139 1.00 0.00 O ATOM 673 OE2 GLU A 626 -3.107 14.644 5.546 1.00 0.00 O ATOM 0 H GLU A 626 -6.554 11.045 4.836 1.00 0.00 H new ATOM 0 HA GLU A 626 -3.946 10.303 4.160 1.00 0.00 H new ATOM 0 HB2 GLU A 626 -5.015 11.410 6.777 1.00 0.00 H new ATOM 0 HB3 GLU A 626 -3.333 11.407 6.283 1.00 0.00 H new ATOM 0 HG2 GLU A 626 -4.057 12.771 4.244 1.00 0.00 H new ATOM 0 HG3 GLU A 626 -5.621 12.938 5.016 1.00 0.00 H new ATOM 680 N ASN A 627 -5.340 8.489 6.518 1.00 0.00 N ATOM 681 CA ASN A 627 -5.200 7.265 7.306 1.00 0.00 C ATOM 682 C ASN A 627 -4.863 6.068 6.422 1.00 0.00 C ATOM 683 O ASN A 627 -4.030 5.235 6.787 1.00 0.00 O ATOM 684 CB ASN A 627 -6.480 6.967 8.088 1.00 0.00 C ATOM 685 CG ASN A 627 -6.611 7.787 9.360 1.00 0.00 C ATOM 686 OD1 ASN A 627 -6.052 8.988 9.365 1.00 0.00 O flip ATOM 687 ND2 ASN A 627 -7.212 7.335 10.334 1.00 0.00 N flip ATOM 0 H ASN A 627 -6.255 8.934 6.591 1.00 0.00 H new ATOM 0 HA ASN A 627 -4.380 7.429 8.005 1.00 0.00 H new ATOM 0 HB2 ASN A 627 -7.341 7.160 7.449 1.00 0.00 H new ATOM 0 HB3 ASN A 627 -6.504 5.907 8.343 1.00 0.00 H new ATOM 0 HD21 ASN A 627 -7.629 6.405 10.290 1.00 0.00 H new ATOM 0 HD22 ASN A 627 -7.294 7.890 11.186 1.00 0.00 H new ATOM 694 N LEU A 628 -5.518 5.975 5.268 1.00 0.00 N ATOM 695 CA LEU A 628 -5.247 4.882 4.332 1.00 0.00 C ATOM 696 C LEU A 628 -3.831 5.024 3.774 1.00 0.00 C ATOM 697 O LEU A 628 -3.116 4.034 3.611 1.00 0.00 O ATOM 698 CB LEU A 628 -6.323 4.807 3.208 1.00 0.00 C ATOM 699 CG LEU A 628 -6.126 5.683 1.957 1.00 0.00 C ATOM 700 CD1 LEU A 628 -5.195 5.013 0.958 1.00 0.00 C ATOM 701 CD2 LEU A 628 -7.469 5.969 1.302 1.00 0.00 C ATOM 0 H LEU A 628 -6.233 6.634 4.959 1.00 0.00 H new ATOM 0 HA LEU A 628 -5.308 3.935 4.868 1.00 0.00 H new ATOM 0 HB2 LEU A 628 -6.392 3.769 2.881 1.00 0.00 H new ATOM 0 HB3 LEU A 628 -7.285 5.067 3.649 1.00 0.00 H new ATOM 0 HG LEU A 628 -5.670 6.622 2.271 1.00 0.00 H new ATOM 0 HD11 LEU A 628 -5.075 5.655 0.085 1.00 0.00 H new ATOM 0 HD12 LEU A 628 -4.223 4.846 1.422 1.00 0.00 H new ATOM 0 HD13 LEU A 628 -5.619 4.057 0.650 1.00 0.00 H new ATOM 0 HD21 LEU A 628 -7.318 6.589 0.418 1.00 0.00 H new ATOM 0 HD22 LEU A 628 -7.939 5.030 1.010 1.00 0.00 H new ATOM 0 HD23 LEU A 628 -8.114 6.493 2.007 1.00 0.00 H new ATOM 713 N VAL A 629 -3.428 6.264 3.505 1.00 0.00 N ATOM 714 CA VAL A 629 -2.092 6.541 2.990 1.00 0.00 C ATOM 715 C VAL A 629 -1.043 6.157 4.029 1.00 0.00 C ATOM 716 O VAL A 629 -0.017 5.552 3.711 1.00 0.00 O ATOM 717 CB VAL A 629 -1.925 8.032 2.615 1.00 0.00 C ATOM 718 CG1 VAL A 629 -0.535 8.302 2.058 1.00 0.00 C ATOM 719 CG2 VAL A 629 -2.989 8.457 1.614 1.00 0.00 C ATOM 0 H VAL A 629 -4.009 7.092 3.636 1.00 0.00 H new ATOM 0 HA VAL A 629 -1.955 5.945 2.088 1.00 0.00 H new ATOM 0 HB VAL A 629 -2.048 8.622 3.523 1.00 0.00 H new ATOM 0 HG11 VAL A 629 -0.444 9.358 1.802 1.00 0.00 H new ATOM 0 HG12 VAL A 629 0.214 8.044 2.807 1.00 0.00 H new ATOM 0 HG13 VAL A 629 -0.377 7.698 1.165 1.00 0.00 H new ATOM 0 HG21 VAL A 629 -2.853 9.509 1.364 1.00 0.00 H new ATOM 0 HG22 VAL A 629 -2.900 7.854 0.710 1.00 0.00 H new ATOM 0 HG23 VAL A 629 -3.977 8.312 2.050 1.00 0.00 H new ATOM 729 N ALA A 630 -1.322 6.512 5.278 1.00 0.00 N ATOM 730 CA ALA A 630 -0.453 6.177 6.396 1.00 0.00 C ATOM 731 C ALA A 630 -0.278 4.667 6.530 1.00 0.00 C ATOM 732 O ALA A 630 0.818 4.191 6.825 1.00 0.00 O ATOM 733 CB ALA A 630 -0.996 6.780 7.683 1.00 0.00 C ATOM 0 H ALA A 630 -2.155 7.039 5.542 1.00 0.00 H new ATOM 0 HA ALA A 630 0.532 6.603 6.202 1.00 0.00 H new ATOM 0 HB1 ALA A 630 -0.337 6.522 8.512 1.00 0.00 H new ATOM 0 HB2 ALA A 630 -1.047 7.864 7.584 1.00 0.00 H new ATOM 0 HB3 ALA A 630 -1.994 6.386 7.877 1.00 0.00 H new ATOM 739 N TYR A 631 -1.356 3.914 6.314 1.00 0.00 N ATOM 740 CA TYR A 631 -1.280 2.456 6.369 1.00 0.00 C ATOM 741 C TYR A 631 -0.310 1.935 5.310 1.00 0.00 C ATOM 742 O TYR A 631 0.439 0.989 5.558 1.00 0.00 O ATOM 743 CB TYR A 631 -2.655 1.793 6.197 1.00 0.00 C ATOM 744 CG TYR A 631 -2.611 0.294 6.393 1.00 0.00 C ATOM 745 CD1 TYR A 631 -2.267 -0.249 7.626 1.00 0.00 C ATOM 746 CD2 TYR A 631 -2.900 -0.577 5.353 1.00 0.00 C ATOM 747 CE1 TYR A 631 -2.211 -1.616 7.815 1.00 0.00 C ATOM 748 CE2 TYR A 631 -2.849 -1.946 5.536 1.00 0.00 C ATOM 749 CZ TYR A 631 -2.503 -2.459 6.767 1.00 0.00 C ATOM 750 OH TYR A 631 -2.446 -3.822 6.947 1.00 0.00 O ATOM 0 H TYR A 631 -2.282 4.285 6.102 1.00 0.00 H new ATOM 0 HA TYR A 631 -0.913 2.191 7.360 1.00 0.00 H new ATOM 0 HB2 TYR A 631 -3.355 2.228 6.911 1.00 0.00 H new ATOM 0 HB3 TYR A 631 -3.038 2.014 5.200 1.00 0.00 H new ATOM 0 HD1 TYR A 631 -2.039 0.410 8.451 1.00 0.00 H new ATOM 0 HD2 TYR A 631 -3.169 -0.179 4.386 1.00 0.00 H new ATOM 0 HE1 TYR A 631 -1.940 -2.021 8.779 1.00 0.00 H new ATOM 0 HE2 TYR A 631 -3.080 -2.611 4.717 1.00 0.00 H new ATOM 0 HH TYR A 631 -2.682 -4.273 6.109 1.00 0.00 H new ATOM 760 N ALA A 632 -0.325 2.555 4.131 1.00 0.00 N ATOM 761 CA ALA A 632 0.585 2.175 3.056 1.00 0.00 C ATOM 762 C ALA A 632 2.041 2.333 3.498 1.00 0.00 C ATOM 763 O ALA A 632 2.885 1.492 3.189 1.00 0.00 O ATOM 764 CB ALA A 632 0.309 2.995 1.800 1.00 0.00 C ATOM 0 H ALA A 632 -0.957 3.321 3.898 1.00 0.00 H new ATOM 0 HA ALA A 632 0.414 1.125 2.820 1.00 0.00 H new ATOM 0 HB1 ALA A 632 0.999 2.695 1.011 1.00 0.00 H new ATOM 0 HB2 ALA A 632 -0.716 2.823 1.471 1.00 0.00 H new ATOM 0 HB3 ALA A 632 0.446 4.054 2.019 1.00 0.00 H new ATOM 770 N LYS A 633 2.331 3.411 4.230 1.00 0.00 N ATOM 771 CA LYS A 633 3.664 3.629 4.788 1.00 0.00 C ATOM 772 C LYS A 633 4.025 2.550 5.804 1.00 0.00 C ATOM 773 O LYS A 633 5.167 2.098 5.862 1.00 0.00 O ATOM 774 CB LYS A 633 3.750 5.003 5.463 1.00 0.00 C ATOM 775 CG LYS A 633 4.562 6.032 4.686 1.00 0.00 C ATOM 776 CD LYS A 633 3.894 6.405 3.372 1.00 0.00 C ATOM 777 CE LYS A 633 2.658 7.266 3.589 1.00 0.00 C ATOM 778 NZ LYS A 633 2.972 8.524 4.318 1.00 0.00 N ATOM 0 H LYS A 633 1.659 4.146 4.449 1.00 0.00 H new ATOM 0 HA LYS A 633 4.372 3.584 3.960 1.00 0.00 H new ATOM 0 HB2 LYS A 633 2.741 5.388 5.608 1.00 0.00 H new ATOM 0 HB3 LYS A 633 4.190 4.882 6.453 1.00 0.00 H new ATOM 0 HG2 LYS A 633 4.692 6.927 5.294 1.00 0.00 H new ATOM 0 HG3 LYS A 633 5.557 5.635 4.488 1.00 0.00 H new ATOM 0 HD2 LYS A 633 4.604 6.941 2.743 1.00 0.00 H new ATOM 0 HD3 LYS A 633 3.615 5.498 2.836 1.00 0.00 H new ATOM 0 HE2 LYS A 633 2.212 7.508 2.624 1.00 0.00 H new ATOM 0 HE3 LYS A 633 1.915 6.698 4.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 633 2.215 9.218 4.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 633 3.046 8.326 5.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 633 3.875 8.909 3.974 1.00 0.00 H new ATOM 792 N LYS A 634 3.061 2.163 6.623 1.00 0.00 N ATOM 793 CA LYS A 634 3.280 1.098 7.593 1.00 0.00 C ATOM 794 C LYS A 634 3.680 -0.184 6.871 1.00 0.00 C ATOM 795 O LYS A 634 4.624 -0.869 7.269 1.00 0.00 O ATOM 796 CB LYS A 634 2.017 0.874 8.428 1.00 0.00 C ATOM 797 CG LYS A 634 1.534 2.133 9.130 1.00 0.00 C ATOM 798 CD LYS A 634 0.231 1.904 9.877 1.00 0.00 C ATOM 799 CE LYS A 634 -0.348 3.211 10.395 1.00 0.00 C ATOM 800 NZ LYS A 634 0.554 3.878 11.370 1.00 0.00 N ATOM 0 H LYS A 634 2.124 2.566 6.638 1.00 0.00 H new ATOM 0 HA LYS A 634 4.087 1.388 8.265 1.00 0.00 H new ATOM 0 HB2 LYS A 634 1.224 0.499 7.782 1.00 0.00 H new ATOM 0 HB3 LYS A 634 2.213 0.103 9.173 1.00 0.00 H new ATOM 0 HG2 LYS A 634 2.298 2.474 9.829 1.00 0.00 H new ATOM 0 HG3 LYS A 634 1.396 2.927 8.396 1.00 0.00 H new ATOM 0 HD2 LYS A 634 -0.489 1.422 9.216 1.00 0.00 H new ATOM 0 HD3 LYS A 634 0.403 1.224 10.712 1.00 0.00 H new ATOM 0 HE2 LYS A 634 -0.533 3.882 9.556 1.00 0.00 H new ATOM 0 HE3 LYS A 634 -1.311 3.018 10.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 634 0.083 4.719 11.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 634 0.779 3.219 12.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 634 1.432 4.163 10.892 1.00 0.00 H new ATOM 814 N VAL A 635 2.949 -0.498 5.807 1.00 0.00 N ATOM 815 CA VAL A 635 3.283 -1.631 4.952 1.00 0.00 C ATOM 816 C VAL A 635 4.695 -1.510 4.380 1.00 0.00 C ATOM 817 O VAL A 635 5.492 -2.434 4.514 1.00 0.00 O ATOM 818 CB VAL A 635 2.261 -1.781 3.798 1.00 0.00 C ATOM 819 CG1 VAL A 635 2.828 -2.615 2.661 1.00 0.00 C ATOM 820 CG2 VAL A 635 0.979 -2.415 4.307 1.00 0.00 C ATOM 0 H VAL A 635 2.119 0.018 5.515 1.00 0.00 H new ATOM 0 HA VAL A 635 3.242 -2.522 5.578 1.00 0.00 H new ATOM 0 HB VAL A 635 2.045 -0.783 3.417 1.00 0.00 H new ATOM 0 HG11 VAL A 635 2.086 -2.701 1.867 1.00 0.00 H new ATOM 0 HG12 VAL A 635 3.724 -2.134 2.269 1.00 0.00 H new ATOM 0 HG13 VAL A 635 3.081 -3.609 3.030 1.00 0.00 H new ATOM 0 HG21 VAL A 635 0.271 -2.514 3.485 1.00 0.00 H new ATOM 0 HG22 VAL A 635 1.199 -3.401 4.717 1.00 0.00 H new ATOM 0 HG23 VAL A 635 0.546 -1.786 5.085 1.00 0.00 H new ATOM 830 N GLU A 636 5.012 -0.368 3.771 1.00 0.00 N ATOM 831 CA GLU A 636 6.335 -0.171 3.163 1.00 0.00 C ATOM 832 C GLU A 636 7.448 -0.388 4.190 1.00 0.00 C ATOM 833 O GLU A 636 8.479 -0.988 3.877 1.00 0.00 O ATOM 834 CB GLU A 636 6.453 1.207 2.466 1.00 0.00 C ATOM 835 CG GLU A 636 6.743 2.415 3.364 1.00 0.00 C ATOM 836 CD GLU A 636 8.222 2.691 3.552 1.00 0.00 C ATOM 837 OE1 GLU A 636 8.904 2.997 2.554 1.00 0.00 O ATOM 838 OE2 GLU A 636 8.703 2.630 4.703 1.00 0.00 O ATOM 0 H GLU A 636 4.381 0.429 3.684 1.00 0.00 H new ATOM 0 HA GLU A 636 6.454 -0.924 2.384 1.00 0.00 H new ATOM 0 HB2 GLU A 636 7.243 1.142 1.718 1.00 0.00 H new ATOM 0 HB3 GLU A 636 5.523 1.397 1.931 1.00 0.00 H new ATOM 0 HG2 GLU A 636 6.269 3.298 2.935 1.00 0.00 H new ATOM 0 HG3 GLU A 636 6.286 2.250 4.340 1.00 0.00 H new ATOM 845 N GLY A 637 7.225 0.081 5.415 1.00 0.00 N ATOM 846 CA GLY A 637 8.198 -0.121 6.477 1.00 0.00 C ATOM 847 C GLY A 637 8.363 -1.583 6.843 1.00 0.00 C ATOM 848 O GLY A 637 9.484 -2.083 6.923 1.00 0.00 O ATOM 0 H GLY A 637 6.390 0.597 5.692 1.00 0.00 H new ATOM 0 HA2 GLY A 637 9.161 0.283 6.165 1.00 0.00 H new ATOM 0 HA3 GLY A 637 7.889 0.439 7.360 1.00 0.00 H new ATOM 852 N ASP A 638 7.243 -2.266 7.064 1.00 0.00 N ATOM 853 CA ASP A 638 7.254 -3.680 7.439 1.00 0.00 C ATOM 854 C ASP A 638 7.847 -4.536 6.321 1.00 0.00 C ATOM 855 O ASP A 638 8.625 -5.461 6.575 1.00 0.00 O ATOM 856 CB ASP A 638 5.831 -4.147 7.767 1.00 0.00 C ATOM 857 CG ASP A 638 5.766 -5.598 8.214 1.00 0.00 C ATOM 858 OD1 ASP A 638 6.243 -5.908 9.326 1.00 0.00 O ATOM 859 OD2 ASP A 638 5.209 -6.432 7.469 1.00 0.00 O ATOM 0 H ASP A 638 6.310 -1.861 6.990 1.00 0.00 H new ATOM 0 HA ASP A 638 7.880 -3.796 8.324 1.00 0.00 H new ATOM 0 HB2 ASP A 638 5.419 -3.513 8.552 1.00 0.00 H new ATOM 0 HB3 ASP A 638 5.201 -4.016 6.888 1.00 0.00 H new ATOM 864 N MET A 639 7.486 -4.207 5.083 1.00 0.00 N ATOM 865 CA MET A 639 8.024 -4.901 3.911 1.00 0.00 C ATOM 866 C MET A 639 9.531 -4.722 3.839 1.00 0.00 C ATOM 867 O MET A 639 10.237 -5.644 3.473 1.00 0.00 O ATOM 868 CB MET A 639 7.402 -4.398 2.589 1.00 0.00 C ATOM 869 CG MET A 639 5.890 -4.555 2.494 1.00 0.00 C ATOM 870 SD MET A 639 5.374 -6.276 2.426 1.00 0.00 S ATOM 871 CE MET A 639 3.619 -6.075 2.158 1.00 0.00 C ATOM 0 H MET A 639 6.823 -3.464 4.863 1.00 0.00 H new ATOM 0 HA MET A 639 7.769 -5.954 4.029 1.00 0.00 H new ATOM 0 HB2 MET A 639 7.652 -3.345 2.464 1.00 0.00 H new ATOM 0 HB3 MET A 639 7.862 -4.936 1.760 1.00 0.00 H new ATOM 0 HG2 MET A 639 5.424 -4.074 3.354 1.00 0.00 H new ATOM 0 HG3 MET A 639 5.530 -4.037 1.605 1.00 0.00 H new ATOM 0 HE1 MET A 639 3.229 -6.947 1.632 1.00 0.00 H new ATOM 0 HE2 MET A 639 3.113 -5.974 3.118 1.00 0.00 H new ATOM 0 HE3 MET A 639 3.442 -5.181 1.560 1.00 0.00 H new ATOM 881 N TYR A 640 10.003 -3.528 4.193 1.00 0.00 N ATOM 882 CA TYR A 640 11.424 -3.169 4.044 1.00 0.00 C ATOM 883 C TYR A 640 12.347 -4.228 4.666 1.00 0.00 C ATOM 884 O TYR A 640 13.412 -4.519 4.115 1.00 0.00 O ATOM 885 CB TYR A 640 11.729 -1.782 4.639 1.00 0.00 C ATOM 886 CG TYR A 640 12.953 -1.121 4.037 1.00 0.00 C ATOM 887 CD1 TYR A 640 13.023 -0.895 2.668 1.00 0.00 C ATOM 888 CD2 TYR A 640 14.028 -0.714 4.822 1.00 0.00 C ATOM 889 CE1 TYR A 640 14.122 -0.290 2.099 1.00 0.00 C ATOM 890 CE2 TYR A 640 15.133 -0.105 4.256 1.00 0.00 C ATOM 891 CZ TYR A 640 15.174 0.106 2.893 1.00 0.00 C ATOM 892 OH TYR A 640 16.271 0.714 2.322 1.00 0.00 O ATOM 0 H TYR A 640 9.425 -2.786 4.587 1.00 0.00 H new ATOM 0 HA TYR A 640 11.623 -3.130 2.973 1.00 0.00 H new ATOM 0 HB2 TYR A 640 10.866 -1.134 4.490 1.00 0.00 H new ATOM 0 HB3 TYR A 640 11.871 -1.881 5.715 1.00 0.00 H new ATOM 0 HD1 TYR A 640 12.200 -1.199 2.038 1.00 0.00 H new ATOM 0 HD2 TYR A 640 13.999 -0.876 5.889 1.00 0.00 H new ATOM 0 HE1 TYR A 640 14.158 -0.127 1.032 1.00 0.00 H new ATOM 0 HE2 TYR A 640 15.960 0.204 4.878 1.00 0.00 H new ATOM 0 HH TYR A 640 16.924 0.932 3.019 1.00 0.00 H new ATOM 902 N GLU A 641 11.942 -4.806 5.797 1.00 0.00 N ATOM 903 CA GLU A 641 12.752 -5.852 6.435 1.00 0.00 C ATOM 904 C GLU A 641 12.798 -7.110 5.559 1.00 0.00 C ATOM 905 O GLU A 641 13.871 -7.639 5.269 1.00 0.00 O ATOM 906 CB GLU A 641 12.228 -6.194 7.840 1.00 0.00 C ATOM 907 CG GLU A 641 12.786 -5.270 8.948 1.00 0.00 C ATOM 908 CD GLU A 641 12.333 -3.831 8.802 1.00 0.00 C ATOM 909 OE1 GLU A 641 13.002 -3.066 8.077 1.00 0.00 O ATOM 910 OE2 GLU A 641 11.320 -3.451 9.428 1.00 0.00 O ATOM 0 H GLU A 641 11.076 -4.576 6.285 1.00 0.00 H new ATOM 0 HA GLU A 641 13.765 -5.464 6.543 1.00 0.00 H new ATOM 0 HB2 GLU A 641 11.140 -6.131 7.839 1.00 0.00 H new ATOM 0 HB3 GLU A 641 12.487 -7.227 8.074 1.00 0.00 H new ATOM 0 HG2 GLU A 641 12.471 -5.647 9.921 1.00 0.00 H new ATOM 0 HG3 GLU A 641 13.875 -5.306 8.929 1.00 0.00 H new ATOM 917 N SER A 642 11.624 -7.563 5.132 1.00 0.00 N ATOM 918 CA SER A 642 11.493 -8.731 4.257 1.00 0.00 C ATOM 919 C SER A 642 12.127 -8.459 2.886 1.00 0.00 C ATOM 920 O SER A 642 12.700 -9.357 2.262 1.00 0.00 O ATOM 921 CB SER A 642 10.016 -9.108 4.108 1.00 0.00 C ATOM 922 OG SER A 642 9.861 -10.329 3.408 1.00 0.00 O ATOM 0 H SER A 642 10.733 -7.133 5.381 1.00 0.00 H new ATOM 0 HA SER A 642 12.024 -9.568 4.709 1.00 0.00 H new ATOM 0 HB2 SER A 642 9.559 -9.192 5.094 1.00 0.00 H new ATOM 0 HB3 SER A 642 9.488 -8.314 3.579 1.00 0.00 H new ATOM 0 HG SER A 642 8.929 -10.624 3.468 1.00 0.00 H new ATOM 928 N ALA A 643 11.968 -7.216 2.428 1.00 0.00 N ATOM 929 CA ALA A 643 12.505 -6.684 1.164 1.00 0.00 C ATOM 930 C ALA A 643 14.022 -6.828 1.001 1.00 0.00 C ATOM 931 O ALA A 643 14.639 -6.078 0.244 1.00 0.00 O ATOM 932 CB ALA A 643 12.124 -5.222 1.028 1.00 0.00 C ATOM 0 H ALA A 643 11.438 -6.517 2.948 1.00 0.00 H new ATOM 0 HA ALA A 643 12.059 -7.290 0.375 1.00 0.00 H new ATOM 0 HB1 ALA A 643 12.521 -4.828 0.093 1.00 0.00 H new ATOM 0 HB2 ALA A 643 11.038 -5.127 1.030 1.00 0.00 H new ATOM 0 HB3 ALA A 643 12.538 -4.659 1.864 1.00 0.00 H new ATOM 938 N ASN A 644 14.620 -7.763 1.714 1.00 0.00 N ATOM 939 CA ASN A 644 16.062 -7.958 1.678 1.00 0.00 C ATOM 940 C ASN A 644 16.479 -8.538 0.317 1.00 0.00 C ATOM 941 O ASN A 644 17.654 -8.808 0.075 1.00 0.00 O ATOM 942 CB ASN A 644 16.500 -8.900 2.814 1.00 0.00 C ATOM 943 CG ASN A 644 17.930 -8.643 3.274 1.00 0.00 C ATOM 944 OD1 ASN A 644 18.333 -7.376 3.314 1.00 0.00 O flip ATOM 945 ND2 ASN A 644 18.653 -9.575 3.628 1.00 0.00 N flip ATOM 0 H ASN A 644 14.126 -8.407 2.332 1.00 0.00 H new ATOM 0 HA ASN A 644 16.552 -6.994 1.816 1.00 0.00 H new ATOM 0 HB2 ASN A 644 15.824 -8.781 3.660 1.00 0.00 H new ATOM 0 HB3 ASN A 644 16.411 -9.933 2.478 1.00 0.00 H new ATOM 0 HD21 ASN A 644 18.308 -10.534 3.583 1.00 0.00 H new ATOM 0 HD22 ASN A 644 19.597 -9.388 3.967 1.00 0.00 H new ATOM 952 N SER A 645 15.493 -8.730 -0.562 1.00 0.00 N ATOM 953 CA SER A 645 15.731 -9.149 -1.932 1.00 0.00 C ATOM 954 C SER A 645 14.787 -8.393 -2.870 1.00 0.00 C ATOM 955 O SER A 645 13.616 -8.201 -2.532 1.00 0.00 O ATOM 956 CB SER A 645 15.526 -10.659 -2.074 1.00 0.00 C ATOM 957 OG SER A 645 16.315 -11.370 -1.134 1.00 0.00 O ATOM 0 H SER A 645 14.507 -8.597 -0.337 1.00 0.00 H new ATOM 0 HA SER A 645 16.762 -8.919 -2.200 1.00 0.00 H new ATOM 0 HB2 SER A 645 14.473 -10.902 -1.928 1.00 0.00 H new ATOM 0 HB3 SER A 645 15.788 -10.972 -3.085 1.00 0.00 H new ATOM 0 HG SER A 645 16.166 -12.332 -1.243 1.00 0.00 H new ATOM 963 N ARG A 646 15.284 -7.948 -4.020 1.00 0.00 N ATOM 964 CA ARG A 646 14.488 -7.116 -4.931 1.00 0.00 C ATOM 965 C ARG A 646 13.164 -7.784 -5.312 1.00 0.00 C ATOM 966 O ARG A 646 12.095 -7.185 -5.166 1.00 0.00 O ATOM 967 CB ARG A 646 15.281 -6.810 -6.204 1.00 0.00 C ATOM 968 CG ARG A 646 16.510 -5.943 -5.985 1.00 0.00 C ATOM 969 CD ARG A 646 16.138 -4.509 -5.642 1.00 0.00 C ATOM 970 NE ARG A 646 15.349 -3.875 -6.701 1.00 0.00 N ATOM 971 CZ ARG A 646 15.408 -2.577 -7.011 1.00 0.00 C ATOM 972 NH1 ARG A 646 16.252 -1.768 -6.377 1.00 0.00 N ATOM 973 NH2 ARG A 646 14.631 -2.092 -7.971 1.00 0.00 N ATOM 0 H ARG A 646 16.230 -8.146 -4.347 1.00 0.00 H new ATOM 0 HA ARG A 646 14.263 -6.191 -4.401 1.00 0.00 H new ATOM 0 HB2 ARG A 646 15.591 -7.751 -6.659 1.00 0.00 H new ATOM 0 HB3 ARG A 646 14.623 -6.313 -6.917 1.00 0.00 H new ATOM 0 HG2 ARG A 646 17.113 -6.364 -5.180 1.00 0.00 H new ATOM 0 HG3 ARG A 646 17.126 -5.953 -6.884 1.00 0.00 H new ATOM 0 HD2 ARG A 646 15.571 -4.495 -4.711 1.00 0.00 H new ATOM 0 HD3 ARG A 646 17.046 -3.930 -5.471 1.00 0.00 H new ATOM 0 HE ARG A 646 14.712 -4.464 -7.237 1.00 0.00 H new ATOM 0 HH11 ARG A 646 16.861 -2.137 -5.647 1.00 0.00 H new ATOM 0 HH12 ARG A 646 16.290 -0.778 -6.621 1.00 0.00 H new ATOM 0 HH21 ARG A 646 13.991 -2.710 -8.470 1.00 0.00 H new ATOM 0 HH22 ARG A 646 14.674 -1.101 -8.210 1.00 0.00 H new ATOM 987 N ASP A 647 13.243 -9.032 -5.761 1.00 0.00 N ATOM 988 CA ASP A 647 12.060 -9.770 -6.208 1.00 0.00 C ATOM 989 C ASP A 647 11.047 -9.901 -5.081 1.00 0.00 C ATOM 990 O ASP A 647 9.841 -9.765 -5.295 1.00 0.00 O ATOM 991 CB ASP A 647 12.443 -11.162 -6.712 1.00 0.00 C ATOM 992 CG ASP A 647 11.249 -11.918 -7.266 1.00 0.00 C ATOM 993 OD1 ASP A 647 10.540 -12.579 -6.482 1.00 0.00 O ATOM 994 OD2 ASP A 647 11.012 -11.855 -8.491 1.00 0.00 O ATOM 0 H ASP A 647 14.115 -9.558 -5.826 1.00 0.00 H new ATOM 0 HA ASP A 647 11.612 -9.207 -7.027 1.00 0.00 H new ATOM 0 HB2 ASP A 647 13.204 -11.070 -7.487 1.00 0.00 H new ATOM 0 HB3 ASP A 647 12.886 -11.733 -5.896 1.00 0.00 H new ATOM 999 N GLU A 648 11.559 -10.159 -3.885 1.00 0.00 N ATOM 1000 CA GLU A 648 10.728 -10.324 -2.698 1.00 0.00 C ATOM 1001 C GLU A 648 9.861 -9.085 -2.488 1.00 0.00 C ATOM 1002 O GLU A 648 8.648 -9.181 -2.310 1.00 0.00 O ATOM 1003 CB GLU A 648 11.617 -10.547 -1.468 1.00 0.00 C ATOM 1004 CG GLU A 648 10.894 -11.156 -0.276 1.00 0.00 C ATOM 1005 CD GLU A 648 10.521 -12.603 -0.511 1.00 0.00 C ATOM 1006 OE1 GLU A 648 11.402 -13.481 -0.363 1.00 0.00 O ATOM 1007 OE2 GLU A 648 9.353 -12.878 -0.842 1.00 0.00 O ATOM 0 H GLU A 648 12.559 -10.260 -3.710 1.00 0.00 H new ATOM 0 HA GLU A 648 10.081 -11.190 -2.837 1.00 0.00 H new ATOM 0 HB2 GLU A 648 12.446 -11.197 -1.746 1.00 0.00 H new ATOM 0 HB3 GLU A 648 12.048 -9.592 -1.168 1.00 0.00 H new ATOM 0 HG2 GLU A 648 11.529 -11.085 0.607 1.00 0.00 H new ATOM 0 HG3 GLU A 648 9.993 -10.580 -0.067 1.00 0.00 H new ATOM 1014 N TYR A 649 10.503 -7.923 -2.557 1.00 0.00 N ATOM 1015 CA TYR A 649 9.845 -6.649 -2.280 1.00 0.00 C ATOM 1016 C TYR A 649 8.644 -6.427 -3.202 1.00 0.00 C ATOM 1017 O TYR A 649 7.547 -6.110 -2.737 1.00 0.00 O ATOM 1018 CB TYR A 649 10.848 -5.494 -2.433 1.00 0.00 C ATOM 1019 CG TYR A 649 10.449 -4.205 -1.734 1.00 0.00 C ATOM 1020 CD1 TYR A 649 9.302 -4.125 -0.949 1.00 0.00 C ATOM 1021 CD2 TYR A 649 11.242 -3.068 -1.844 1.00 0.00 C ATOM 1022 CE1 TYR A 649 8.958 -2.952 -0.303 1.00 0.00 C ATOM 1023 CE2 TYR A 649 10.905 -1.894 -1.196 1.00 0.00 C ATOM 1024 CZ TYR A 649 9.762 -1.842 -0.429 1.00 0.00 C ATOM 1025 OH TYR A 649 9.424 -0.676 0.220 1.00 0.00 O ATOM 0 H TYR A 649 11.489 -7.837 -2.805 1.00 0.00 H new ATOM 0 HA TYR A 649 9.479 -6.677 -1.254 1.00 0.00 H new ATOM 0 HB2 TYR A 649 11.814 -5.817 -2.045 1.00 0.00 H new ATOM 0 HB3 TYR A 649 10.984 -5.288 -3.495 1.00 0.00 H new ATOM 0 HD1 TYR A 649 8.670 -4.994 -0.843 1.00 0.00 H new ATOM 0 HD2 TYR A 649 12.138 -3.103 -2.447 1.00 0.00 H new ATOM 0 HE1 TYR A 649 8.062 -2.907 0.298 1.00 0.00 H new ATOM 0 HE2 TYR A 649 11.535 -1.022 -1.291 1.00 0.00 H new ATOM 0 HH TYR A 649 10.058 -0.512 0.949 1.00 0.00 H new ATOM 1035 N TYR A 650 8.845 -6.612 -4.506 1.00 0.00 N ATOM 1036 CA TYR A 650 7.813 -6.361 -5.484 1.00 0.00 C ATOM 1037 C TYR A 650 6.668 -7.346 -5.323 1.00 0.00 C ATOM 1038 O TYR A 650 5.495 -6.982 -5.421 1.00 0.00 O ATOM 1039 CB TYR A 650 8.412 -6.464 -6.881 1.00 0.00 C ATOM 1040 CG TYR A 650 9.274 -5.283 -7.271 1.00 0.00 C ATOM 1041 CD1 TYR A 650 10.622 -5.239 -6.944 1.00 0.00 C ATOM 1042 CD2 TYR A 650 8.736 -4.217 -7.980 1.00 0.00 C ATOM 1043 CE1 TYR A 650 11.411 -4.165 -7.309 1.00 0.00 C ATOM 1044 CE2 TYR A 650 9.518 -3.139 -8.348 1.00 0.00 C ATOM 1045 CZ TYR A 650 10.854 -3.119 -8.011 1.00 0.00 C ATOM 1046 OH TYR A 650 11.636 -2.053 -8.386 1.00 0.00 O ATOM 0 H TYR A 650 9.726 -6.939 -4.902 1.00 0.00 H new ATOM 0 HA TYR A 650 7.414 -5.358 -5.333 1.00 0.00 H new ATOM 0 HB2 TYR A 650 9.010 -7.373 -6.942 1.00 0.00 H new ATOM 0 HB3 TYR A 650 7.604 -6.565 -7.605 1.00 0.00 H new ATOM 0 HD1 TYR A 650 11.062 -6.058 -6.395 1.00 0.00 H new ATOM 0 HD2 TYR A 650 7.690 -4.231 -8.248 1.00 0.00 H new ATOM 0 HE1 TYR A 650 12.458 -4.146 -7.045 1.00 0.00 H new ATOM 0 HE2 TYR A 650 9.084 -2.316 -8.897 1.00 0.00 H new ATOM 0 HH TYR A 650 11.167 -1.526 -9.066 1.00 0.00 H new ATOM 1056 N HIS A 651 7.026 -8.593 -5.055 1.00 0.00 N ATOM 1057 CA HIS A 651 6.059 -9.669 -4.971 1.00 0.00 C ATOM 1058 C HIS A 651 5.139 -9.491 -3.774 1.00 0.00 C ATOM 1059 O HIS A 651 3.931 -9.723 -3.866 1.00 0.00 O ATOM 1060 CB HIS A 651 6.771 -11.019 -4.910 1.00 0.00 C ATOM 1061 CG HIS A 651 6.793 -11.726 -6.229 1.00 0.00 C ATOM 1062 ND1 HIS A 651 7.951 -12.132 -6.856 1.00 0.00 N ATOM 1063 CD2 HIS A 651 5.780 -12.102 -7.040 1.00 0.00 C ATOM 1064 CE1 HIS A 651 7.647 -12.724 -7.995 1.00 0.00 C ATOM 1065 NE2 HIS A 651 6.337 -12.720 -8.131 1.00 0.00 N ATOM 0 H HIS A 651 7.990 -8.883 -4.891 1.00 0.00 H new ATOM 0 HA HIS A 651 5.442 -9.641 -5.869 1.00 0.00 H new ATOM 0 HB2 HIS A 651 7.795 -10.869 -4.567 1.00 0.00 H new ATOM 0 HB3 HIS A 651 6.277 -11.652 -4.173 1.00 0.00 H new ATOM 0 HD1 HIS A 651 8.896 -11.996 -6.496 1.00 0.00 H new ATOM 0 HD2 HIS A 651 4.726 -11.945 -6.862 1.00 0.00 H new ATOM 0 HE1 HIS A 651 8.353 -13.141 -8.697 1.00 0.00 H new ATOM 1074 N LEU A 652 5.712 -9.073 -2.650 1.00 0.00 N ATOM 1075 CA LEU A 652 4.944 -8.881 -1.428 1.00 0.00 C ATOM 1076 C LEU A 652 3.864 -7.827 -1.626 1.00 0.00 C ATOM 1077 O LEU A 652 2.696 -8.069 -1.337 1.00 0.00 O ATOM 1078 CB LEU A 652 5.860 -8.465 -0.276 1.00 0.00 C ATOM 1079 CG LEU A 652 6.910 -9.498 0.134 1.00 0.00 C ATOM 1080 CD1 LEU A 652 7.817 -8.929 1.213 1.00 0.00 C ATOM 1081 CD2 LEU A 652 6.246 -10.778 0.620 1.00 0.00 C ATOM 0 H LEU A 652 6.706 -8.861 -2.561 1.00 0.00 H new ATOM 0 HA LEU A 652 4.469 -9.830 -1.182 1.00 0.00 H new ATOM 0 HB2 LEU A 652 6.371 -7.544 -0.555 1.00 0.00 H new ATOM 0 HB3 LEU A 652 5.242 -8.236 0.592 1.00 0.00 H new ATOM 0 HG LEU A 652 7.515 -9.738 -0.740 1.00 0.00 H new ATOM 0 HD11 LEU A 652 8.560 -9.675 1.495 1.00 0.00 H new ATOM 0 HD12 LEU A 652 8.322 -8.041 0.833 1.00 0.00 H new ATOM 0 HD13 LEU A 652 7.221 -8.662 2.086 1.00 0.00 H new ATOM 0 HD21 LEU A 652 7.012 -11.499 0.906 1.00 0.00 H new ATOM 0 HD22 LEU A 652 5.616 -10.557 1.481 1.00 0.00 H new ATOM 0 HD23 LEU A 652 5.634 -11.197 -0.179 1.00 0.00 H new ATOM 1093 N LEU A 653 4.259 -6.670 -2.146 1.00 0.00 N ATOM 1094 CA LEU A 653 3.320 -5.581 -2.392 1.00 0.00 C ATOM 1095 C LEU A 653 2.245 -6.003 -3.390 1.00 0.00 C ATOM 1096 O LEU A 653 1.058 -5.756 -3.170 1.00 0.00 O ATOM 1097 CB LEU A 653 4.062 -4.339 -2.896 1.00 0.00 C ATOM 1098 CG LEU A 653 4.871 -3.592 -1.832 1.00 0.00 C ATOM 1099 CD1 LEU A 653 6.196 -3.132 -2.403 1.00 0.00 C ATOM 1100 CD2 LEU A 653 4.090 -2.398 -1.304 1.00 0.00 C ATOM 0 H LEU A 653 5.223 -6.462 -2.405 1.00 0.00 H new ATOM 0 HA LEU A 653 2.830 -5.335 -1.450 1.00 0.00 H new ATOM 0 HB2 LEU A 653 4.735 -4.638 -3.699 1.00 0.00 H new ATOM 0 HB3 LEU A 653 3.336 -3.651 -3.328 1.00 0.00 H new ATOM 0 HG LEU A 653 5.061 -4.277 -1.006 1.00 0.00 H new ATOM 0 HD11 LEU A 653 6.759 -2.603 -1.634 1.00 0.00 H new ATOM 0 HD12 LEU A 653 6.767 -3.997 -2.740 1.00 0.00 H new ATOM 0 HD13 LEU A 653 6.017 -2.465 -3.246 1.00 0.00 H new ATOM 0 HD21 LEU A 653 4.682 -1.881 -0.549 1.00 0.00 H new ATOM 0 HD22 LEU A 653 3.871 -1.715 -2.125 1.00 0.00 H new ATOM 0 HD23 LEU A 653 3.156 -2.742 -0.859 1.00 0.00 H new ATOM 1112 N ALA A 654 2.665 -6.657 -4.473 1.00 0.00 N ATOM 1113 CA ALA A 654 1.734 -7.135 -5.493 1.00 0.00 C ATOM 1114 C ALA A 654 0.685 -8.075 -4.901 1.00 0.00 C ATOM 1115 O ALA A 654 -0.496 -7.997 -5.244 1.00 0.00 O ATOM 1116 CB ALA A 654 2.492 -7.830 -6.613 1.00 0.00 C ATOM 0 H ALA A 654 3.644 -6.868 -4.666 1.00 0.00 H new ATOM 0 HA ALA A 654 1.212 -6.268 -5.899 1.00 0.00 H new ATOM 0 HB1 ALA A 654 1.787 -8.181 -7.366 1.00 0.00 H new ATOM 0 HB2 ALA A 654 3.191 -7.129 -7.069 1.00 0.00 H new ATOM 0 HB3 ALA A 654 3.043 -8.679 -6.208 1.00 0.00 H new ATOM 1122 N GLU A 655 1.122 -8.969 -4.017 1.00 0.00 N ATOM 1123 CA GLU A 655 0.200 -9.913 -3.376 1.00 0.00 C ATOM 1124 C GLU A 655 -0.838 -9.169 -2.540 1.00 0.00 C ATOM 1125 O GLU A 655 -2.035 -9.452 -2.622 1.00 0.00 O ATOM 1126 CB GLU A 655 0.934 -10.946 -2.499 1.00 0.00 C ATOM 1127 CG GLU A 655 0.011 -11.679 -1.537 1.00 0.00 C ATOM 1128 CD GLU A 655 0.706 -12.788 -0.783 1.00 0.00 C ATOM 1129 OE1 GLU A 655 0.847 -13.893 -1.345 1.00 0.00 O ATOM 1130 OE2 GLU A 655 1.098 -12.566 0.382 1.00 0.00 O ATOM 0 H GLU A 655 2.096 -9.062 -3.729 1.00 0.00 H new ATOM 0 HA GLU A 655 -0.301 -10.456 -4.178 1.00 0.00 H new ATOM 0 HB2 GLU A 655 1.429 -11.673 -3.143 1.00 0.00 H new ATOM 0 HB3 GLU A 655 1.714 -10.441 -1.930 1.00 0.00 H new ATOM 0 HG2 GLU A 655 -0.402 -10.966 -0.824 1.00 0.00 H new ATOM 0 HG3 GLU A 655 -0.828 -12.096 -2.094 1.00 0.00 H new ATOM 1137 N LYS A 656 -0.377 -8.206 -1.752 1.00 0.00 N ATOM 1138 CA LYS A 656 -1.253 -7.485 -0.833 1.00 0.00 C ATOM 1139 C LYS A 656 -2.293 -6.677 -1.596 1.00 0.00 C ATOM 1140 O LYS A 656 -3.458 -6.621 -1.203 1.00 0.00 O ATOM 1141 CB LYS A 656 -0.449 -6.566 0.090 1.00 0.00 C ATOM 1142 CG LYS A 656 0.767 -7.235 0.708 1.00 0.00 C ATOM 1143 CD LYS A 656 0.443 -8.601 1.294 1.00 0.00 C ATOM 1144 CE LYS A 656 1.709 -9.347 1.685 1.00 0.00 C ATOM 1145 NZ LYS A 656 1.416 -10.701 2.217 1.00 0.00 N ATOM 0 H LYS A 656 0.597 -7.905 -1.730 1.00 0.00 H new ATOM 0 HA LYS A 656 -1.766 -8.226 -0.220 1.00 0.00 H new ATOM 0 HB2 LYS A 656 -0.124 -5.692 -0.475 1.00 0.00 H new ATOM 0 HB3 LYS A 656 -1.100 -6.207 0.887 1.00 0.00 H new ATOM 0 HG2 LYS A 656 1.543 -7.343 -0.050 1.00 0.00 H new ATOM 0 HG3 LYS A 656 1.172 -6.594 1.491 1.00 0.00 H new ATOM 0 HD2 LYS A 656 -0.197 -8.482 2.169 1.00 0.00 H new ATOM 0 HD3 LYS A 656 -0.118 -9.188 0.567 1.00 0.00 H new ATOM 0 HE2 LYS A 656 2.362 -9.433 0.816 1.00 0.00 H new ATOM 0 HE3 LYS A 656 2.251 -8.772 2.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 656 2.042 -10.900 3.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 656 0.425 -10.744 2.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 656 1.575 -11.409 1.472 1.00 0.00 H new ATOM 1159 N ILE A 657 -1.870 -6.058 -2.692 1.00 0.00 N ATOM 1160 CA ILE A 657 -2.779 -5.284 -3.525 1.00 0.00 C ATOM 1161 C ILE A 657 -3.877 -6.184 -4.088 1.00 0.00 C ATOM 1162 O ILE A 657 -5.049 -5.807 -4.111 1.00 0.00 O ATOM 1163 CB ILE A 657 -2.024 -4.579 -4.679 1.00 0.00 C ATOM 1164 CG1 ILE A 657 -1.017 -3.575 -4.105 1.00 0.00 C ATOM 1165 CG2 ILE A 657 -2.999 -3.879 -5.619 1.00 0.00 C ATOM 1166 CD1 ILE A 657 -0.171 -2.886 -5.154 1.00 0.00 C ATOM 0 H ILE A 657 -0.905 -6.078 -3.023 1.00 0.00 H new ATOM 0 HA ILE A 657 -3.233 -4.515 -2.900 1.00 0.00 H new ATOM 0 HB ILE A 657 -1.486 -5.332 -5.254 1.00 0.00 H new ATOM 0 HG12 ILE A 657 -1.557 -2.819 -3.535 1.00 0.00 H new ATOM 0 HG13 ILE A 657 -0.361 -4.093 -3.406 1.00 0.00 H new ATOM 0 HG21 ILE A 657 -2.445 -3.391 -6.421 1.00 0.00 H new ATOM 0 HG22 ILE A 657 -3.684 -4.612 -6.045 1.00 0.00 H new ATOM 0 HG23 ILE A 657 -3.567 -3.132 -5.064 1.00 0.00 H new ATOM 0 HD11 ILE A 657 0.516 -2.192 -4.669 1.00 0.00 H new ATOM 0 HD12 ILE A 657 0.398 -3.631 -5.709 1.00 0.00 H new ATOM 0 HD13 ILE A 657 -0.817 -2.338 -5.840 1.00 0.00 H new ATOM 1178 N TYR A 658 -3.498 -7.391 -4.503 1.00 0.00 N ATOM 1179 CA TYR A 658 -4.466 -8.359 -5.018 1.00 0.00 C ATOM 1180 C TYR A 658 -5.444 -8.752 -3.910 1.00 0.00 C ATOM 1181 O TYR A 658 -6.629 -8.952 -4.169 1.00 0.00 O ATOM 1182 CB TYR A 658 -3.781 -9.605 -5.610 1.00 0.00 C ATOM 1183 CG TYR A 658 -4.619 -10.331 -6.651 1.00 0.00 C ATOM 1184 CD1 TYR A 658 -5.046 -9.670 -7.800 1.00 0.00 C ATOM 1185 CD2 TYR A 658 -4.974 -11.673 -6.502 1.00 0.00 C ATOM 1186 CE1 TYR A 658 -5.799 -10.317 -8.759 1.00 0.00 C ATOM 1187 CE2 TYR A 658 -5.728 -12.322 -7.462 1.00 0.00 C ATOM 1188 CZ TYR A 658 -6.139 -11.639 -8.585 1.00 0.00 C ATOM 1189 OH TYR A 658 -6.886 -12.285 -9.544 1.00 0.00 O ATOM 0 H TYR A 658 -2.533 -7.722 -4.493 1.00 0.00 H new ATOM 0 HA TYR A 658 -5.015 -7.884 -5.831 1.00 0.00 H new ATOM 0 HB2 TYR A 658 -2.835 -9.307 -6.062 1.00 0.00 H new ATOM 0 HB3 TYR A 658 -3.544 -10.296 -4.801 1.00 0.00 H new ATOM 0 HD1 TYR A 658 -4.783 -8.632 -7.943 1.00 0.00 H new ATOM 0 HD2 TYR A 658 -4.655 -12.213 -5.623 1.00 0.00 H new ATOM 0 HE1 TYR A 658 -6.120 -9.787 -9.643 1.00 0.00 H new ATOM 0 HE2 TYR A 658 -5.994 -13.361 -7.332 1.00 0.00 H new ATOM 0 HH TYR A 658 -7.039 -13.213 -9.269 1.00 0.00 H new ATOM 1199 N LYS A 659 -4.942 -8.867 -2.674 1.00 0.00 N ATOM 1200 CA LYS A 659 -5.794 -9.195 -1.533 1.00 0.00 C ATOM 1201 C LYS A 659 -6.916 -8.174 -1.401 1.00 0.00 C ATOM 1202 O LYS A 659 -8.085 -8.537 -1.261 1.00 0.00 O ATOM 1203 CB LYS A 659 -4.985 -9.240 -0.234 1.00 0.00 C ATOM 1204 CG LYS A 659 -4.004 -10.397 -0.146 1.00 0.00 C ATOM 1205 CD LYS A 659 -4.719 -11.739 -0.092 1.00 0.00 C ATOM 1206 CE LYS A 659 -3.733 -12.879 0.099 1.00 0.00 C ATOM 1207 NZ LYS A 659 -4.408 -14.204 0.117 1.00 0.00 N ATOM 0 H LYS A 659 -3.957 -8.738 -2.443 1.00 0.00 H new ATOM 0 HA LYS A 659 -6.221 -10.182 -1.709 1.00 0.00 H new ATOM 0 HB2 LYS A 659 -4.435 -8.305 -0.130 1.00 0.00 H new ATOM 0 HB3 LYS A 659 -5.675 -9.300 0.608 1.00 0.00 H new ATOM 0 HG2 LYS A 659 -3.337 -10.375 -1.008 1.00 0.00 H new ATOM 0 HG3 LYS A 659 -3.382 -10.280 0.742 1.00 0.00 H new ATOM 0 HD2 LYS A 659 -5.440 -11.737 0.725 1.00 0.00 H new ATOM 0 HD3 LYS A 659 -5.282 -11.892 -1.013 1.00 0.00 H new ATOM 0 HE2 LYS A 659 -2.996 -12.859 -0.704 1.00 0.00 H new ATOM 0 HE3 LYS A 659 -3.190 -12.736 1.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 659 -3.699 -14.953 0.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 659 -5.093 -14.234 0.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 659 -4.905 -14.353 -0.785 1.00 0.00 H new ATOM 1221 N ILE A 660 -6.549 -6.897 -1.465 1.00 0.00 N ATOM 1222 CA ILE A 660 -7.523 -5.811 -1.415 1.00 0.00 C ATOM 1223 C ILE A 660 -8.469 -5.869 -2.613 1.00 0.00 C ATOM 1224 O ILE A 660 -9.669 -5.621 -2.482 1.00 0.00 O ATOM 1225 CB ILE A 660 -6.842 -4.417 -1.310 1.00 0.00 C ATOM 1226 CG1 ILE A 660 -6.953 -3.903 0.124 1.00 0.00 C ATOM 1227 CG2 ILE A 660 -7.436 -3.394 -2.282 1.00 0.00 C ATOM 1228 CD1 ILE A 660 -6.452 -2.488 0.297 1.00 0.00 C ATOM 0 H ILE A 660 -5.581 -6.588 -1.552 1.00 0.00 H new ATOM 0 HA ILE A 660 -8.110 -5.949 -0.507 1.00 0.00 H new ATOM 0 HB ILE A 660 -5.795 -4.543 -1.586 1.00 0.00 H new ATOM 0 HG12 ILE A 660 -7.995 -3.952 0.440 1.00 0.00 H new ATOM 0 HG13 ILE A 660 -6.389 -4.563 0.783 1.00 0.00 H new ATOM 0 HG21 ILE A 660 -6.922 -2.440 -2.165 1.00 0.00 H new ATOM 0 HG22 ILE A 660 -7.312 -3.749 -3.305 1.00 0.00 H new ATOM 0 HG23 ILE A 660 -8.497 -3.264 -2.069 1.00 0.00 H new ATOM 0 HD11 ILE A 660 -6.561 -2.188 1.339 1.00 0.00 H new ATOM 0 HD12 ILE A 660 -5.401 -2.437 0.013 1.00 0.00 H new ATOM 0 HD13 ILE A 660 -7.032 -1.817 -0.336 1.00 0.00 H new ATOM 1240 N GLN A 661 -7.930 -6.224 -3.773 1.00 0.00 N ATOM 1241 CA GLN A 661 -8.733 -6.275 -4.997 1.00 0.00 C ATOM 1242 C GLN A 661 -9.785 -7.367 -4.873 1.00 0.00 C ATOM 1243 O GLN A 661 -10.930 -7.201 -5.296 1.00 0.00 O ATOM 1244 CB GLN A 661 -7.874 -6.503 -6.253 1.00 0.00 C ATOM 1245 CG GLN A 661 -6.939 -5.339 -6.578 1.00 0.00 C ATOM 1246 CD GLN A 661 -6.166 -5.554 -7.860 1.00 0.00 C ATOM 1247 OE1 GLN A 661 -5.869 -6.687 -8.243 1.00 0.00 O ATOM 1248 NE2 GLN A 661 -5.826 -4.465 -8.527 1.00 0.00 N ATOM 0 H GLN A 661 -6.950 -6.479 -3.896 1.00 0.00 H new ATOM 0 HA GLN A 661 -9.217 -5.306 -5.115 1.00 0.00 H new ATOM 0 HB2 GLN A 661 -7.280 -7.407 -6.117 1.00 0.00 H new ATOM 0 HB3 GLN A 661 -8.531 -6.678 -7.105 1.00 0.00 H new ATOM 0 HG2 GLN A 661 -7.522 -4.421 -6.659 1.00 0.00 H new ATOM 0 HG3 GLN A 661 -6.238 -5.200 -5.755 1.00 0.00 H new ATOM 0 HE21 GLN A 661 -6.093 -3.546 -8.173 1.00 0.00 H new ATOM 0 HE22 GLN A 661 -5.297 -4.543 -9.395 1.00 0.00 H new ATOM 1257 N LYS A 662 -9.376 -8.482 -4.282 1.00 0.00 N ATOM 1258 CA LYS A 662 -10.274 -9.588 -4.006 1.00 0.00 C ATOM 1259 C LYS A 662 -11.337 -9.164 -2.995 1.00 0.00 C ATOM 1260 O LYS A 662 -12.515 -9.492 -3.145 1.00 0.00 O ATOM 1261 CB LYS A 662 -9.474 -10.788 -3.489 1.00 0.00 C ATOM 1262 CG LYS A 662 -10.327 -11.932 -2.965 1.00 0.00 C ATOM 1263 CD LYS A 662 -9.466 -13.115 -2.553 1.00 0.00 C ATOM 1264 CE LYS A 662 -10.244 -14.108 -1.703 1.00 0.00 C ATOM 1265 NZ LYS A 662 -10.660 -13.513 -0.404 1.00 0.00 N ATOM 0 H LYS A 662 -8.414 -8.642 -3.982 1.00 0.00 H new ATOM 0 HA LYS A 662 -10.780 -9.880 -4.926 1.00 0.00 H new ATOM 0 HB2 LYS A 662 -8.841 -11.162 -4.294 1.00 0.00 H new ATOM 0 HB3 LYS A 662 -8.810 -10.451 -2.693 1.00 0.00 H new ATOM 0 HG2 LYS A 662 -10.913 -11.591 -2.112 1.00 0.00 H new ATOM 0 HG3 LYS A 662 -11.034 -12.244 -3.734 1.00 0.00 H new ATOM 0 HD2 LYS A 662 -9.087 -13.617 -3.443 1.00 0.00 H new ATOM 0 HD3 LYS A 662 -8.600 -12.758 -1.995 1.00 0.00 H new ATOM 0 HE2 LYS A 662 -11.126 -14.442 -2.249 1.00 0.00 H new ATOM 0 HE3 LYS A 662 -9.630 -14.990 -1.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 662 -11.067 -14.253 0.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 662 -9.832 -13.095 0.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 662 -11.372 -12.774 -0.573 1.00 0.00 H new ATOM 1279 N GLU A 663 -10.914 -8.409 -1.980 1.00 0.00 N ATOM 1280 CA GLU A 663 -11.830 -7.902 -0.964 1.00 0.00 C ATOM 1281 C GLU A 663 -12.932 -7.070 -1.602 1.00 0.00 C ATOM 1282 O GLU A 663 -14.106 -7.241 -1.280 1.00 0.00 O ATOM 1283 CB GLU A 663 -11.096 -7.039 0.065 1.00 0.00 C ATOM 1284 CG GLU A 663 -10.152 -7.805 0.978 1.00 0.00 C ATOM 1285 CD GLU A 663 -10.884 -8.798 1.850 1.00 0.00 C ATOM 1286 OE1 GLU A 663 -11.732 -8.371 2.662 1.00 0.00 O ATOM 1287 OE2 GLU A 663 -10.631 -10.011 1.721 1.00 0.00 O ATOM 0 H GLU A 663 -9.941 -8.136 -1.842 1.00 0.00 H new ATOM 0 HA GLU A 663 -12.264 -8.767 -0.462 1.00 0.00 H new ATOM 0 HB2 GLU A 663 -10.528 -6.273 -0.462 1.00 0.00 H new ATOM 0 HB3 GLU A 663 -11.834 -6.523 0.679 1.00 0.00 H new ATOM 0 HG2 GLU A 663 -9.412 -8.330 0.374 1.00 0.00 H new ATOM 0 HG3 GLU A 663 -9.608 -7.102 1.609 1.00 0.00 H new ATOM 1294 N LEU A 664 -12.539 -6.173 -2.503 1.00 0.00 N ATOM 1295 CA LEU A 664 -13.481 -5.281 -3.176 1.00 0.00 C ATOM 1296 C LEU A 664 -14.546 -6.072 -3.926 1.00 0.00 C ATOM 1297 O LEU A 664 -15.731 -5.737 -3.873 1.00 0.00 O ATOM 1298 CB LEU A 664 -12.739 -4.358 -4.148 1.00 0.00 C ATOM 1299 CG LEU A 664 -11.699 -3.435 -3.510 1.00 0.00 C ATOM 1300 CD1 LEU A 664 -10.958 -2.648 -4.581 1.00 0.00 C ATOM 1301 CD2 LEU A 664 -12.357 -2.491 -2.517 1.00 0.00 C ATOM 0 H LEU A 664 -11.568 -6.044 -2.786 1.00 0.00 H new ATOM 0 HA LEU A 664 -13.973 -4.678 -2.413 1.00 0.00 H new ATOM 0 HB2 LEU A 664 -12.243 -4.973 -4.899 1.00 0.00 H new ATOM 0 HB3 LEU A 664 -13.472 -3.745 -4.672 1.00 0.00 H new ATOM 0 HG LEU A 664 -10.979 -4.051 -2.972 1.00 0.00 H new ATOM 0 HD11 LEU A 664 -10.222 -1.996 -4.110 1.00 0.00 H new ATOM 0 HD12 LEU A 664 -10.452 -3.339 -5.256 1.00 0.00 H new ATOM 0 HD13 LEU A 664 -11.668 -2.044 -5.146 1.00 0.00 H new ATOM 0 HD21 LEU A 664 -11.600 -1.843 -2.074 1.00 0.00 H new ATOM 0 HD22 LEU A 664 -13.100 -1.882 -3.032 1.00 0.00 H new ATOM 0 HD23 LEU A 664 -12.843 -3.070 -1.732 1.00 0.00 H new ATOM 1313 N GLU A 665 -14.120 -7.132 -4.605 1.00 0.00 N ATOM 1314 CA GLU A 665 -15.038 -7.980 -5.352 1.00 0.00 C ATOM 1315 C GLU A 665 -16.023 -8.643 -4.398 1.00 0.00 C ATOM 1316 O GLU A 665 -17.228 -8.664 -4.642 1.00 0.00 O ATOM 1317 CB GLU A 665 -14.265 -9.046 -6.132 1.00 0.00 C ATOM 1318 CG GLU A 665 -15.145 -9.904 -7.029 1.00 0.00 C ATOM 1319 CD GLU A 665 -14.377 -11.021 -7.700 1.00 0.00 C ATOM 1320 OE1 GLU A 665 -13.505 -10.727 -8.545 1.00 0.00 O ATOM 1321 OE2 GLU A 665 -14.641 -12.203 -7.392 1.00 0.00 O ATOM 0 H GLU A 665 -13.144 -7.423 -4.653 1.00 0.00 H new ATOM 0 HA GLU A 665 -15.588 -7.362 -6.061 1.00 0.00 H new ATOM 0 HB2 GLU A 665 -13.505 -8.558 -6.742 1.00 0.00 H new ATOM 0 HB3 GLU A 665 -13.741 -9.691 -5.427 1.00 0.00 H new ATOM 0 HG2 GLU A 665 -15.955 -10.330 -6.437 1.00 0.00 H new ATOM 0 HG3 GLU A 665 -15.604 -9.274 -7.791 1.00 0.00 H new ATOM 1328 N GLU A 666 -15.495 -9.164 -3.298 1.00 0.00 N ATOM 1329 CA GLU A 666 -16.303 -9.836 -2.291 1.00 0.00 C ATOM 1330 C GLU A 666 -17.284 -8.873 -1.622 1.00 0.00 C ATOM 1331 O GLU A 666 -18.411 -9.248 -1.307 1.00 0.00 O ATOM 1332 CB GLU A 666 -15.411 -10.521 -1.260 1.00 0.00 C ATOM 1333 CG GLU A 666 -14.556 -11.623 -1.861 1.00 0.00 C ATOM 1334 CD GLU A 666 -13.790 -12.401 -0.819 1.00 0.00 C ATOM 1335 OE1 GLU A 666 -12.727 -11.928 -0.381 1.00 0.00 O ATOM 1336 OE2 GLU A 666 -14.250 -13.496 -0.434 1.00 0.00 O ATOM 0 H GLU A 666 -14.499 -9.133 -3.080 1.00 0.00 H new ATOM 0 HA GLU A 666 -16.896 -10.601 -2.793 1.00 0.00 H new ATOM 0 HB2 GLU A 666 -14.763 -9.777 -0.795 1.00 0.00 H new ATOM 0 HB3 GLU A 666 -16.033 -10.940 -0.469 1.00 0.00 H new ATOM 0 HG2 GLU A 666 -15.193 -12.306 -2.423 1.00 0.00 H new ATOM 0 HG3 GLU A 666 -13.854 -11.186 -2.571 1.00 0.00 H new ATOM 1531 N LEU B 845 -5.577 -6.852 4.282 1.00 0.00 N ATOM 1532 CA LEU B 845 -5.654 -5.477 4.747 1.00 0.00 C ATOM 1533 C LEU B 845 -6.965 -5.236 5.494 1.00 0.00 C ATOM 1534 O LEU B 845 -8.027 -5.671 5.054 1.00 0.00 O ATOM 1535 CB LEU B 845 -5.492 -4.496 3.576 1.00 0.00 C ATOM 1536 CG LEU B 845 -4.104 -4.498 2.911 1.00 0.00 C ATOM 1537 CD1 LEU B 845 -3.993 -5.591 1.855 1.00 0.00 C ATOM 1538 CD2 LEU B 845 -3.791 -3.139 2.302 1.00 0.00 C ATOM 0 HA LEU B 845 -4.834 -5.301 5.443 1.00 0.00 H new ATOM 0 HB2 LEU B 845 -6.241 -4.731 2.819 1.00 0.00 H new ATOM 0 HB3 LEU B 845 -5.705 -3.489 3.934 1.00 0.00 H new ATOM 0 HG LEU B 845 -3.370 -4.707 3.689 1.00 0.00 H new ATOM 0 HD11 LEU B 845 -3.000 -5.564 1.406 1.00 0.00 H new ATOM 0 HD12 LEU B 845 -4.154 -6.564 2.320 1.00 0.00 H new ATOM 0 HD13 LEU B 845 -4.745 -5.429 1.083 1.00 0.00 H new ATOM 0 HD21 LEU B 845 -2.805 -3.166 1.838 1.00 0.00 H new ATOM 0 HD22 LEU B 845 -4.540 -2.897 1.548 1.00 0.00 H new ATOM 0 HD23 LEU B 845 -3.804 -2.379 3.083 1.00 0.00 H new ATOM 1550 N PRO B 846 -6.871 -4.557 6.658 1.00 0.00 N ATOM 1551 CA PRO B 846 -7.997 -4.318 7.577 1.00 0.00 C ATOM 1552 C PRO B 846 -9.297 -3.893 6.902 1.00 0.00 C ATOM 1553 O PRO B 846 -9.316 -3.043 6.005 1.00 0.00 O ATOM 1554 CB PRO B 846 -7.477 -3.186 8.458 1.00 0.00 C ATOM 1555 CG PRO B 846 -6.012 -3.412 8.523 1.00 0.00 C ATOM 1556 CD PRO B 846 -5.620 -3.975 7.184 1.00 0.00 C ATOM 0 HA PRO B 846 -8.267 -5.235 8.100 1.00 0.00 H new ATOM 0 HB2 PRO B 846 -7.710 -2.211 8.031 1.00 0.00 H new ATOM 0 HB3 PRO B 846 -7.928 -3.215 9.450 1.00 0.00 H new ATOM 0 HG2 PRO B 846 -5.482 -2.481 8.725 1.00 0.00 H new ATOM 0 HG3 PRO B 846 -5.759 -4.104 9.326 1.00 0.00 H new ATOM 0 HD2 PRO B 846 -5.233 -3.199 6.523 1.00 0.00 H new ATOM 0 HD3 PRO B 846 -4.840 -4.730 7.282 1.00 0.00 H new ATOM 1564 N SER B 847 -10.384 -4.486 7.391 1.00 0.00 N ATOM 1565 CA SER B 847 -11.736 -4.193 6.938 1.00 0.00 C ATOM 1566 C SER B 847 -12.047 -2.701 7.057 1.00 0.00 C ATOM 1567 O SER B 847 -12.730 -2.134 6.208 1.00 0.00 O ATOM 1568 CB SER B 847 -12.732 -5.017 7.755 1.00 0.00 C ATOM 1569 OG SER B 847 -12.410 -4.991 9.137 1.00 0.00 O ATOM 0 H SER B 847 -10.346 -5.194 8.124 1.00 0.00 H new ATOM 0 HA SER B 847 -11.820 -4.462 5.885 1.00 0.00 H new ATOM 0 HB2 SER B 847 -13.739 -4.627 7.606 1.00 0.00 H new ATOM 0 HB3 SER B 847 -12.734 -6.047 7.399 1.00 0.00 H new ATOM 0 HG SER B 847 -13.064 -5.524 9.635 1.00 0.00 H new ATOM 1575 N ASP B 848 -11.542 -2.089 8.128 1.00 0.00 N ATOM 1576 CA ASP B 848 -11.785 -0.674 8.425 1.00 0.00 C ATOM 1577 C ASP B 848 -11.399 0.226 7.250 1.00 0.00 C ATOM 1578 O ASP B 848 -12.168 1.102 6.857 1.00 0.00 O ATOM 1579 CB ASP B 848 -10.993 -0.253 9.668 1.00 0.00 C ATOM 1580 CG ASP B 848 -11.341 1.146 10.142 1.00 0.00 C ATOM 1581 OD1 ASP B 848 -12.422 1.319 10.746 1.00 0.00 O ATOM 1582 OD2 ASP B 848 -10.537 2.075 9.921 1.00 0.00 O ATOM 0 H ASP B 848 -10.953 -2.559 8.815 1.00 0.00 H new ATOM 0 HA ASP B 848 -12.853 -0.557 8.608 1.00 0.00 H new ATOM 0 HB2 ASP B 848 -11.185 -0.962 10.473 1.00 0.00 H new ATOM 0 HB3 ASP B 848 -9.927 -0.302 9.447 1.00 0.00 H new ATOM 1587 N ILE B 849 -10.205 0.009 6.691 1.00 0.00 N ATOM 1588 CA ILE B 849 -9.748 0.793 5.543 1.00 0.00 C ATOM 1589 C ILE B 849 -10.633 0.520 4.328 1.00 0.00 C ATOM 1590 O ILE B 849 -10.966 1.430 3.569 1.00 0.00 O ATOM 1591 CB ILE B 849 -8.267 0.514 5.177 1.00 0.00 C ATOM 1592 CG1 ILE B 849 -7.359 0.694 6.404 1.00 0.00 C ATOM 1593 CG2 ILE B 849 -7.824 1.443 4.051 1.00 0.00 C ATOM 1594 CD1 ILE B 849 -7.336 2.104 6.968 1.00 0.00 C ATOM 0 H ILE B 849 -9.543 -0.697 7.012 1.00 0.00 H new ATOM 0 HA ILE B 849 -9.822 1.841 5.832 1.00 0.00 H new ATOM 0 HB ILE B 849 -8.183 -0.519 4.839 1.00 0.00 H new ATOM 0 HG12 ILE B 849 -7.686 0.009 7.186 1.00 0.00 H new ATOM 0 HG13 ILE B 849 -6.343 0.408 6.133 1.00 0.00 H new ATOM 0 HG21 ILE B 849 -6.783 1.240 3.800 1.00 0.00 H new ATOM 0 HG22 ILE B 849 -8.448 1.274 3.173 1.00 0.00 H new ATOM 0 HG23 ILE B 849 -7.924 2.479 4.374 1.00 0.00 H new ATOM 0 HD11 ILE B 849 -6.671 2.140 7.831 1.00 0.00 H new ATOM 0 HD12 ILE B 849 -6.978 2.795 6.205 1.00 0.00 H new ATOM 0 HD13 ILE B 849 -8.342 2.390 7.274 1.00 0.00 H new ATOM 1606 N MET B 850 -11.008 -0.744 4.158 1.00 0.00 N ATOM 1607 CA MET B 850 -11.901 -1.155 3.076 1.00 0.00 C ATOM 1608 C MET B 850 -13.215 -0.383 3.129 1.00 0.00 C ATOM 1609 O MET B 850 -13.771 -0.019 2.097 1.00 0.00 O ATOM 1610 CB MET B 850 -12.174 -2.665 3.137 1.00 0.00 C ATOM 1611 CG MET B 850 -10.955 -3.536 2.856 1.00 0.00 C ATOM 1612 SD MET B 850 -10.654 -3.825 1.096 1.00 0.00 S ATOM 1613 CE MET B 850 -10.159 -2.203 0.516 1.00 0.00 C ATOM 0 H MET B 850 -10.705 -1.509 4.761 1.00 0.00 H new ATOM 0 HA MET B 850 -11.405 -0.928 2.132 1.00 0.00 H new ATOM 0 HB2 MET B 850 -12.562 -2.912 4.125 1.00 0.00 H new ATOM 0 HB3 MET B 850 -12.955 -2.910 2.417 1.00 0.00 H new ATOM 0 HG2 MET B 850 -10.075 -3.064 3.293 1.00 0.00 H new ATOM 0 HG3 MET B 850 -11.083 -4.496 3.356 1.00 0.00 H new ATOM 0 HE1 MET B 850 -9.513 -2.310 -0.355 1.00 0.00 H new ATOM 0 HE2 MET B 850 -11.044 -1.628 0.243 1.00 0.00 H new ATOM 0 HE3 MET B 850 -9.618 -1.683 1.307 1.00 0.00 H new