USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=20 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 Set 1.1: A 639 MET CE :methyl 153:sc= -3.05 (180deg=-4.67!) USER MOD Set 1.2: A 656 LYS NZ :NH3+ -119:sc= 0 (180deg=0) USER MOD Single : A 594 HIS : no HD1:sc= 0.0622 K(o=0.062,f=-2.9!) USER MOD Single : A 596 THR OG1 : rot 180:sc= -0.131 USER MOD Single : A 597 GLN : amide:sc= 0.948 K(o=0.95,f=-7.4!) USER MOD Single : A 601 SER OG : rot 14:sc= 0.245 USER MOD Single : A 602 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 605 HIS :FLIP no HE2:sc= 0.502 F(o=-1.6!,f=0.5) USER MOD Single : A 606 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 609 GLN :FLIP amide:sc= -0.987 F(o=-1.5,f=-0.99) USER MOD Single : A 614 THR OG1 : rot 48:sc= 0.247 USER MOD Single : A 621 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 625 MET CE :methyl -172:sc= -0.798 (180deg=-0.971) USER MOD Single : A 627 ASN : amide:sc= -0.483 K(o=-0.48,f=-2!) USER MOD Single : A 631 TYR OH : rot 30:sc=-0.00206 USER MOD Single : A 633 LYS NZ :NH3+ 160:sc= -0.117 (180deg=-0.61) USER MOD Single : A 634 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 640 TYR OH : rot 180:sc= 0 USER MOD Single : A 642 SER OG : rot 180:sc= 0 USER MOD Single : A 644 ASN :FLIP amide:sc= -0.0804 F(o=-0.9,f=-0.08) USER MOD Single : A 645 SER OG : rot 180:sc= -0.782 USER MOD Single : A 649 TYR OH : rot -110:sc= -0.181 USER MOD Single : A 650 TYR OH : rot 180:sc= -0.299 USER MOD Single : A 651 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 658 TYR OH : rot 180:sc= 0 USER MOD Single : A 659 LYS NZ :NH3+ 163:sc= -0.0823 (180deg=-0.31) USER MOD Single : A 661 GLN : amide:sc= -0.0253 K(o=-0.025,f=-1.6) USER MOD Single : A 662 LYS NZ :NH3+ 180:sc= 1.29 (180deg=1.29) USER MOD Single : B 847 SER OG : rot 180:sc= 0 USER MOD Single : B 850 MET CE :methyl -154:sc= -2.97 (180deg=-4.9!) USER MOD ----------------------------------------------------------------- ATOM 134 N HIS A 594 20.099 -1.082 -1.303 1.00 0.00 N ATOM 135 CA HIS A 594 19.700 -1.497 -2.658 1.00 0.00 C ATOM 136 C HIS A 594 18.343 -0.915 -3.046 1.00 0.00 C ATOM 137 O HIS A 594 17.686 -1.419 -3.956 1.00 0.00 O ATOM 138 CB HIS A 594 19.657 -3.033 -2.800 1.00 0.00 C ATOM 139 CG HIS A 594 18.815 -3.736 -1.770 1.00 0.00 C ATOM 140 ND1 HIS A 594 19.338 -4.271 -0.616 1.00 0.00 N ATOM 141 CD2 HIS A 594 17.485 -3.998 -1.731 1.00 0.00 C ATOM 142 CE1 HIS A 594 18.373 -4.826 0.091 1.00 0.00 C ATOM 143 NE2 HIS A 594 17.237 -4.675 -0.562 1.00 0.00 N ATOM 0 HA HIS A 594 20.460 -1.106 -3.334 1.00 0.00 H new ATOM 0 HB2 HIS A 594 19.278 -3.282 -3.791 1.00 0.00 H new ATOM 0 HB3 HIS A 594 20.675 -3.418 -2.742 1.00 0.00 H new ATOM 0 HD2 HIS A 594 16.756 -3.725 -2.480 1.00 0.00 H new ATOM 0 HE1 HIS A 594 18.493 -5.321 1.044 1.00 0.00 H new ATOM 0 HE2 HIS A 594 16.324 -5.007 -0.250 1.00 0.00 H new ATOM 152 N VAL A 595 17.918 0.126 -2.345 1.00 0.00 N ATOM 153 CA VAL A 595 16.628 0.765 -2.601 1.00 0.00 C ATOM 154 C VAL A 595 16.730 2.276 -2.404 1.00 0.00 C ATOM 155 O VAL A 595 17.326 2.740 -1.431 1.00 0.00 O ATOM 156 CB VAL A 595 15.536 0.197 -1.661 1.00 0.00 C ATOM 157 CG1 VAL A 595 14.286 1.067 -1.666 1.00 0.00 C ATOM 158 CG2 VAL A 595 15.175 -1.227 -2.049 1.00 0.00 C ATOM 0 H VAL A 595 18.451 0.552 -1.587 1.00 0.00 H new ATOM 0 HA VAL A 595 16.351 0.554 -3.634 1.00 0.00 H new ATOM 0 HB VAL A 595 15.948 0.196 -0.652 1.00 0.00 H new ATOM 0 HG11 VAL A 595 13.541 0.638 -0.995 1.00 0.00 H new ATOM 0 HG12 VAL A 595 14.541 2.072 -1.330 1.00 0.00 H new ATOM 0 HG13 VAL A 595 13.880 1.114 -2.676 1.00 0.00 H new ATOM 0 HG21 VAL A 595 14.406 -1.604 -1.374 1.00 0.00 H new ATOM 0 HG22 VAL A 595 14.799 -1.241 -3.072 1.00 0.00 H new ATOM 0 HG23 VAL A 595 16.061 -1.859 -1.979 1.00 0.00 H new ATOM 168 N THR A 596 16.160 3.036 -3.331 1.00 0.00 N ATOM 169 CA THR A 596 16.166 4.487 -3.239 1.00 0.00 C ATOM 170 C THR A 596 14.882 4.992 -2.567 1.00 0.00 C ATOM 171 O THR A 596 13.910 4.242 -2.440 1.00 0.00 O ATOM 172 CB THR A 596 16.336 5.132 -4.637 1.00 0.00 C ATOM 173 OG1 THR A 596 16.325 6.561 -4.543 1.00 0.00 O ATOM 174 CG2 THR A 596 15.243 4.680 -5.590 1.00 0.00 C ATOM 0 H THR A 596 15.687 2.668 -4.157 1.00 0.00 H new ATOM 0 HA THR A 596 17.017 4.781 -2.624 1.00 0.00 H new ATOM 0 HB THR A 596 17.299 4.805 -5.029 1.00 0.00 H new ATOM 0 HG1 THR A 596 16.435 6.948 -5.436 1.00 0.00 H new ATOM 0 HG21 THR A 596 15.391 5.150 -6.562 1.00 0.00 H new ATOM 0 HG22 THR A 596 15.282 3.596 -5.701 1.00 0.00 H new ATOM 0 HG23 THR A 596 14.270 4.969 -5.191 1.00 0.00 H new ATOM 182 N GLN A 597 14.875 6.251 -2.144 1.00 0.00 N ATOM 183 CA GLN A 597 13.725 6.819 -1.445 1.00 0.00 C ATOM 184 C GLN A 597 12.508 6.857 -2.364 1.00 0.00 C ATOM 185 O GLN A 597 11.403 6.472 -1.970 1.00 0.00 O ATOM 186 CB GLN A 597 14.057 8.231 -0.943 1.00 0.00 C ATOM 187 CG GLN A 597 12.875 8.980 -0.342 1.00 0.00 C ATOM 188 CD GLN A 597 12.282 8.288 0.868 1.00 0.00 C ATOM 189 OE1 GLN A 597 12.980 7.592 1.605 1.00 0.00 O ATOM 190 NE2 GLN A 597 10.992 8.486 1.085 1.00 0.00 N ATOM 0 H GLN A 597 15.652 6.899 -2.272 1.00 0.00 H new ATOM 0 HA GLN A 597 13.491 6.187 -0.588 1.00 0.00 H new ATOM 0 HB2 GLN A 597 14.846 8.161 -0.194 1.00 0.00 H new ATOM 0 HB3 GLN A 597 14.457 8.814 -1.773 1.00 0.00 H new ATOM 0 HG2 GLN A 597 13.195 9.983 -0.058 1.00 0.00 H new ATOM 0 HG3 GLN A 597 12.102 9.095 -1.102 1.00 0.00 H new ATOM 0 HE21 GLN A 597 10.452 9.071 0.448 1.00 0.00 H new ATOM 0 HE22 GLN A 597 10.538 8.054 1.890 1.00 0.00 H new ATOM 199 N ASP A 598 12.737 7.295 -3.597 1.00 0.00 N ATOM 200 CA ASP A 598 11.665 7.435 -4.580 1.00 0.00 C ATOM 201 C ASP A 598 10.940 6.116 -4.801 1.00 0.00 C ATOM 202 O ASP A 598 9.718 6.091 -4.932 1.00 0.00 O ATOM 203 CB ASP A 598 12.202 7.966 -5.909 1.00 0.00 C ATOM 204 CG ASP A 598 11.114 8.076 -6.961 1.00 0.00 C ATOM 205 OD1 ASP A 598 10.321 9.042 -6.907 1.00 0.00 O ATOM 206 OD2 ASP A 598 11.050 7.198 -7.848 1.00 0.00 O ATOM 0 H ASP A 598 13.659 7.561 -3.942 1.00 0.00 H new ATOM 0 HA ASP A 598 10.952 8.156 -4.179 1.00 0.00 H new ATOM 0 HB2 ASP A 598 12.654 8.945 -5.752 1.00 0.00 H new ATOM 0 HB3 ASP A 598 12.990 7.306 -6.271 1.00 0.00 H new ATOM 211 N LEU A 599 11.697 5.023 -4.843 1.00 0.00 N ATOM 212 CA LEU A 599 11.124 3.699 -5.025 1.00 0.00 C ATOM 213 C LEU A 599 10.071 3.409 -3.961 1.00 0.00 C ATOM 214 O LEU A 599 8.950 3.012 -4.279 1.00 0.00 O ATOM 215 CB LEU A 599 12.222 2.635 -4.953 1.00 0.00 C ATOM 216 CG LEU A 599 11.822 1.267 -5.498 1.00 0.00 C ATOM 217 CD1 LEU A 599 11.484 1.378 -6.971 1.00 0.00 C ATOM 218 CD2 LEU A 599 12.932 0.252 -5.278 1.00 0.00 C ATOM 0 H LEU A 599 12.713 5.032 -4.753 1.00 0.00 H new ATOM 0 HA LEU A 599 10.650 3.671 -6.006 1.00 0.00 H new ATOM 0 HB2 LEU A 599 13.091 2.991 -5.506 1.00 0.00 H new ATOM 0 HB3 LEU A 599 12.531 2.521 -3.914 1.00 0.00 H new ATOM 0 HG LEU A 599 10.940 0.921 -4.959 1.00 0.00 H new ATOM 0 HD11 LEU A 599 11.199 0.398 -7.354 1.00 0.00 H new ATOM 0 HD12 LEU A 599 10.655 2.074 -7.103 1.00 0.00 H new ATOM 0 HD13 LEU A 599 12.354 1.742 -7.517 1.00 0.00 H new ATOM 0 HD21 LEU A 599 12.624 -0.716 -5.675 1.00 0.00 H new ATOM 0 HD22 LEU A 599 13.835 0.584 -5.791 1.00 0.00 H new ATOM 0 HD23 LEU A 599 13.134 0.159 -4.211 1.00 0.00 H new ATOM 230 N ARG A 600 10.433 3.637 -2.704 1.00 0.00 N ATOM 231 CA ARG A 600 9.546 3.337 -1.585 1.00 0.00 C ATOM 232 C ARG A 600 8.267 4.160 -1.659 1.00 0.00 C ATOM 233 O ARG A 600 7.168 3.620 -1.562 1.00 0.00 O ATOM 234 CB ARG A 600 10.243 3.601 -0.251 1.00 0.00 C ATOM 235 CG ARG A 600 11.542 2.839 -0.076 1.00 0.00 C ATOM 236 CD ARG A 600 12.022 2.887 1.363 1.00 0.00 C ATOM 237 NE ARG A 600 12.174 4.253 1.860 1.00 0.00 N ATOM 238 CZ ARG A 600 11.690 4.674 3.029 1.00 0.00 C ATOM 239 NH1 ARG A 600 10.941 3.873 3.775 1.00 0.00 N ATOM 240 NH2 ARG A 600 11.929 5.910 3.436 1.00 0.00 N ATOM 0 H ARG A 600 11.335 4.029 -2.433 1.00 0.00 H new ATOM 0 HA ARG A 600 9.288 2.280 -1.651 1.00 0.00 H new ATOM 0 HB2 ARG A 600 10.444 4.669 -0.162 1.00 0.00 H new ATOM 0 HB3 ARG A 600 9.565 3.336 0.561 1.00 0.00 H new ATOM 0 HG2 ARG A 600 11.401 1.802 -0.380 1.00 0.00 H new ATOM 0 HG3 ARG A 600 12.305 3.262 -0.730 1.00 0.00 H new ATOM 0 HD2 ARG A 600 11.315 2.351 1.996 1.00 0.00 H new ATOM 0 HD3 ARG A 600 12.977 2.368 1.441 1.00 0.00 H new ATOM 0 HE ARG A 600 12.679 4.923 1.280 1.00 0.00 H new ATOM 0 HH11 ARG A 600 10.731 2.927 3.456 1.00 0.00 H new ATOM 0 HH12 ARG A 600 10.575 4.203 4.668 1.00 0.00 H new ATOM 0 HH21 ARG A 600 12.483 6.540 2.856 1.00 0.00 H new ATOM 0 HH22 ARG A 600 11.559 6.233 4.330 1.00 0.00 H new ATOM 254 N SER A 601 8.418 5.464 -1.851 1.00 0.00 N ATOM 255 CA SER A 601 7.277 6.361 -1.890 1.00 0.00 C ATOM 256 C SER A 601 6.385 6.060 -3.094 1.00 0.00 C ATOM 257 O SER A 601 5.158 6.076 -2.988 1.00 0.00 O ATOM 258 CB SER A 601 7.759 7.816 -1.903 1.00 0.00 C ATOM 259 OG SER A 601 8.813 7.997 -2.837 1.00 0.00 O ATOM 0 H SER A 601 9.320 5.921 -1.982 1.00 0.00 H new ATOM 0 HA SER A 601 6.676 6.204 -0.994 1.00 0.00 H new ATOM 0 HB2 SER A 601 6.928 8.475 -2.155 1.00 0.00 H new ATOM 0 HB3 SER A 601 8.099 8.099 -0.907 1.00 0.00 H new ATOM 0 HG SER A 601 8.865 7.216 -3.426 1.00 0.00 H new ATOM 265 N HIS A 602 7.011 5.762 -4.233 1.00 0.00 N ATOM 266 CA HIS A 602 6.273 5.492 -5.467 1.00 0.00 C ATOM 267 C HIS A 602 5.351 4.288 -5.287 1.00 0.00 C ATOM 268 O HIS A 602 4.182 4.325 -5.674 1.00 0.00 O ATOM 269 CB HIS A 602 7.237 5.244 -6.634 1.00 0.00 C ATOM 270 CG HIS A 602 6.610 5.403 -7.988 1.00 0.00 C ATOM 271 ND1 HIS A 602 6.612 6.593 -8.682 1.00 0.00 N ATOM 272 CD2 HIS A 602 5.986 4.507 -8.790 1.00 0.00 C ATOM 273 CE1 HIS A 602 6.018 6.422 -9.848 1.00 0.00 C ATOM 274 NE2 HIS A 602 5.629 5.165 -9.940 1.00 0.00 N ATOM 0 H HIS A 602 8.025 5.702 -4.327 1.00 0.00 H new ATOM 0 HA HIS A 602 5.667 6.369 -5.697 1.00 0.00 H new ATOM 0 HB2 HIS A 602 8.077 5.934 -6.551 1.00 0.00 H new ATOM 0 HB3 HIS A 602 7.643 4.236 -6.549 1.00 0.00 H new ATOM 0 HD2 HIS A 602 5.803 3.467 -8.566 1.00 0.00 H new ATOM 0 HE1 HIS A 602 5.875 7.183 -10.600 1.00 0.00 H new ATOM 0 HE2 HIS A 602 5.143 4.750 -10.735 1.00 0.00 H new ATOM 283 N LEU A 603 5.888 3.227 -4.695 1.00 0.00 N ATOM 284 CA LEU A 603 5.122 2.010 -4.440 1.00 0.00 C ATOM 285 C LEU A 603 3.942 2.284 -3.513 1.00 0.00 C ATOM 286 O LEU A 603 2.865 1.713 -3.685 1.00 0.00 O ATOM 287 CB LEU A 603 6.016 0.917 -3.855 1.00 0.00 C ATOM 288 CG LEU A 603 7.233 0.564 -4.714 1.00 0.00 C ATOM 289 CD1 LEU A 603 8.170 -0.359 -3.962 1.00 0.00 C ATOM 290 CD2 LEU A 603 6.798 -0.079 -6.021 1.00 0.00 C ATOM 0 H LEU A 603 6.857 3.184 -4.380 1.00 0.00 H new ATOM 0 HA LEU A 603 4.729 1.661 -5.395 1.00 0.00 H new ATOM 0 HB2 LEU A 603 6.362 1.236 -2.872 1.00 0.00 H new ATOM 0 HB3 LEU A 603 5.419 0.017 -3.707 1.00 0.00 H new ATOM 0 HG LEU A 603 7.766 1.487 -4.942 1.00 0.00 H new ATOM 0 HD11 LEU A 603 9.028 -0.597 -4.591 1.00 0.00 H new ATOM 0 HD12 LEU A 603 8.513 0.133 -3.052 1.00 0.00 H new ATOM 0 HD13 LEU A 603 7.644 -1.278 -3.702 1.00 0.00 H new ATOM 0 HD21 LEU A 603 7.677 -0.322 -6.617 1.00 0.00 H new ATOM 0 HD22 LEU A 603 6.239 -0.991 -5.810 1.00 0.00 H new ATOM 0 HD23 LEU A 603 6.165 0.614 -6.575 1.00 0.00 H new ATOM 302 N VAL A 604 4.149 3.157 -2.532 1.00 0.00 N ATOM 303 CA VAL A 604 3.100 3.507 -1.581 1.00 0.00 C ATOM 304 C VAL A 604 1.887 4.095 -2.299 1.00 0.00 C ATOM 305 O VAL A 604 0.744 3.763 -1.978 1.00 0.00 O ATOM 306 CB VAL A 604 3.613 4.513 -0.525 1.00 0.00 C ATOM 307 CG1 VAL A 604 2.479 5.012 0.356 1.00 0.00 C ATOM 308 CG2 VAL A 604 4.697 3.877 0.330 1.00 0.00 C ATOM 0 H VAL A 604 5.036 3.636 -2.375 1.00 0.00 H new ATOM 0 HA VAL A 604 2.804 2.589 -1.074 1.00 0.00 H new ATOM 0 HB VAL A 604 4.034 5.368 -1.055 1.00 0.00 H new ATOM 0 HG11 VAL A 604 2.871 5.718 1.089 1.00 0.00 H new ATOM 0 HG12 VAL A 604 1.730 5.508 -0.261 1.00 0.00 H new ATOM 0 HG13 VAL A 604 2.022 4.168 0.873 1.00 0.00 H new ATOM 0 HG21 VAL A 604 5.048 4.598 1.068 1.00 0.00 H new ATOM 0 HG22 VAL A 604 4.292 3.003 0.840 1.00 0.00 H new ATOM 0 HG23 VAL A 604 5.530 3.573 -0.305 1.00 0.00 H new ATOM 318 N HIS A 605 2.138 4.947 -3.291 1.00 0.00 N ATOM 319 CA HIS A 605 1.056 5.546 -4.073 1.00 0.00 C ATOM 320 C HIS A 605 0.309 4.468 -4.843 1.00 0.00 C ATOM 321 O HIS A 605 -0.909 4.522 -4.965 1.00 0.00 O ATOM 322 CB HIS A 605 1.567 6.628 -5.037 1.00 0.00 C ATOM 323 CG HIS A 605 2.052 7.872 -4.352 1.00 0.00 C ATOM 324 ND1 HIS A 605 3.007 8.051 -3.411 1.00 0.00 N flip ATOM 325 CD2 HIS A 605 1.553 9.128 -4.626 1.00 0.00 C flip ATOM 326 CE1 HIS A 605 3.065 9.392 -3.137 1.00 0.00 C flip ATOM 327 NE2 HIS A 605 2.178 10.020 -3.882 1.00 0.00 N flip ATOM 0 H HIS A 605 3.075 5.237 -3.572 1.00 0.00 H new ATOM 0 HA HIS A 605 0.376 6.030 -3.372 1.00 0.00 H new ATOM 0 HB2 HIS A 605 2.379 6.214 -5.635 1.00 0.00 H new ATOM 0 HB3 HIS A 605 0.766 6.894 -5.727 1.00 0.00 H new ATOM 0 HD1 HIS A 605 3.579 7.322 -2.984 1.00 0.00 H new ATOM 0 HD2 HIS A 605 0.772 9.347 -5.339 1.00 0.00 H new ATOM 0 HE1 HIS A 605 3.730 9.859 -2.426 1.00 0.00 H new ATOM 336 N LYS A 606 1.050 3.490 -5.361 1.00 0.00 N ATOM 337 CA LYS A 606 0.452 2.357 -6.061 1.00 0.00 C ATOM 338 C LYS A 606 -0.527 1.618 -5.153 1.00 0.00 C ATOM 339 O LYS A 606 -1.608 1.211 -5.587 1.00 0.00 O ATOM 340 CB LYS A 606 1.536 1.386 -6.537 1.00 0.00 C ATOM 341 CG LYS A 606 2.396 1.919 -7.672 1.00 0.00 C ATOM 342 CD LYS A 606 1.590 2.083 -8.948 1.00 0.00 C ATOM 343 CE LYS A 606 2.477 2.433 -10.132 1.00 0.00 C ATOM 344 NZ LYS A 606 1.694 2.582 -11.386 1.00 0.00 N ATOM 0 H LYS A 606 2.068 3.461 -5.308 1.00 0.00 H new ATOM 0 HA LYS A 606 -0.087 2.745 -6.926 1.00 0.00 H new ATOM 0 HB2 LYS A 606 2.180 1.137 -5.694 1.00 0.00 H new ATOM 0 HB3 LYS A 606 1.061 0.459 -6.860 1.00 0.00 H new ATOM 0 HG2 LYS A 606 2.825 2.879 -7.385 1.00 0.00 H new ATOM 0 HG3 LYS A 606 3.228 1.238 -7.851 1.00 0.00 H new ATOM 0 HD2 LYS A 606 1.050 1.160 -9.158 1.00 0.00 H new ATOM 0 HD3 LYS A 606 0.843 2.865 -8.809 1.00 0.00 H new ATOM 0 HE2 LYS A 606 3.010 3.361 -9.924 1.00 0.00 H new ATOM 0 HE3 LYS A 606 3.230 1.656 -10.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 606 2.335 2.821 -12.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 606 1.205 1.689 -11.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 606 0.993 3.341 -11.269 1.00 0.00 H new ATOM 358 N LEU A 607 -0.133 1.438 -3.897 1.00 0.00 N ATOM 359 CA LEU A 607 -0.983 0.779 -2.915 1.00 0.00 C ATOM 360 C LEU A 607 -2.228 1.620 -2.643 1.00 0.00 C ATOM 361 O LEU A 607 -3.350 1.113 -2.689 1.00 0.00 O ATOM 362 CB LEU A 607 -0.192 0.527 -1.622 1.00 0.00 C ATOM 363 CG LEU A 607 -0.867 -0.382 -0.587 1.00 0.00 C ATOM 364 CD1 LEU A 607 0.179 -1.028 0.299 1.00 0.00 C ATOM 365 CD2 LEU A 607 -1.852 0.399 0.273 1.00 0.00 C ATOM 0 H LEU A 607 0.772 1.740 -3.535 1.00 0.00 H new ATOM 0 HA LEU A 607 -1.307 -0.183 -3.311 1.00 0.00 H new ATOM 0 HB2 LEU A 607 0.770 0.090 -1.888 1.00 0.00 H new ATOM 0 HB3 LEU A 607 0.014 1.489 -1.152 1.00 0.00 H new ATOM 0 HG LEU A 607 -1.416 -1.154 -1.126 1.00 0.00 H new ATOM 0 HD11 LEU A 607 -0.311 -1.671 1.030 1.00 0.00 H new ATOM 0 HD12 LEU A 607 0.856 -1.624 -0.313 1.00 0.00 H new ATOM 0 HD13 LEU A 607 0.745 -0.254 0.818 1.00 0.00 H new ATOM 0 HD21 LEU A 607 -2.314 -0.272 0.997 1.00 0.00 H new ATOM 0 HD22 LEU A 607 -1.324 1.194 0.800 1.00 0.00 H new ATOM 0 HD23 LEU A 607 -2.623 0.835 -0.362 1.00 0.00 H new ATOM 377 N VAL A 608 -2.023 2.906 -2.365 1.00 0.00 N ATOM 378 CA VAL A 608 -3.130 3.843 -2.172 1.00 0.00 C ATOM 379 C VAL A 608 -4.058 3.856 -3.390 1.00 0.00 C ATOM 380 O VAL A 608 -5.280 3.881 -3.253 1.00 0.00 O ATOM 381 CB VAL A 608 -2.610 5.276 -1.910 1.00 0.00 C ATOM 382 CG1 VAL A 608 -3.759 6.268 -1.794 1.00 0.00 C ATOM 383 CG2 VAL A 608 -1.753 5.310 -0.655 1.00 0.00 C ATOM 0 H VAL A 608 -1.098 3.325 -2.268 1.00 0.00 H new ATOM 0 HA VAL A 608 -3.690 3.504 -1.300 1.00 0.00 H new ATOM 0 HB VAL A 608 -1.997 5.570 -2.762 1.00 0.00 H new ATOM 0 HG11 VAL A 608 -3.361 7.266 -1.610 1.00 0.00 H new ATOM 0 HG12 VAL A 608 -4.332 6.271 -2.721 1.00 0.00 H new ATOM 0 HG13 VAL A 608 -4.408 5.978 -0.968 1.00 0.00 H new ATOM 0 HG21 VAL A 608 -1.396 6.326 -0.486 1.00 0.00 H new ATOM 0 HG22 VAL A 608 -2.347 4.987 0.200 1.00 0.00 H new ATOM 0 HG23 VAL A 608 -0.901 4.641 -0.778 1.00 0.00 H new ATOM 393 N GLN A 609 -3.457 3.830 -4.577 1.00 0.00 N ATOM 394 CA GLN A 609 -4.195 3.822 -5.837 1.00 0.00 C ATOM 395 C GLN A 609 -5.176 2.652 -5.882 1.00 0.00 C ATOM 396 O GLN A 609 -6.302 2.788 -6.363 1.00 0.00 O ATOM 397 CB GLN A 609 -3.209 3.724 -7.009 1.00 0.00 C ATOM 398 CG GLN A 609 -3.838 3.901 -8.386 1.00 0.00 C ATOM 399 CD GLN A 609 -4.339 5.314 -8.637 1.00 0.00 C ATOM 400 OE1 GLN A 609 -3.670 6.300 -8.057 1.00 0.00 O flip ATOM 401 NE2 GLN A 609 -5.310 5.521 -9.361 1.00 0.00 N flip ATOM 0 H GLN A 609 -2.444 3.814 -4.692 1.00 0.00 H new ATOM 0 HA GLN A 609 -4.763 4.749 -5.915 1.00 0.00 H new ATOM 0 HB2 GLN A 609 -2.434 4.479 -6.879 1.00 0.00 H new ATOM 0 HB3 GLN A 609 -2.716 2.752 -6.972 1.00 0.00 H new ATOM 0 HG2 GLN A 609 -3.105 3.641 -9.150 1.00 0.00 H new ATOM 0 HG3 GLN A 609 -4.669 3.203 -8.491 1.00 0.00 H new ATOM 0 HE21 GLN A 609 -5.801 4.738 -9.791 1.00 0.00 H new ATOM 0 HE22 GLN A 609 -5.625 6.476 -9.532 1.00 0.00 H new ATOM 410 N ALA A 610 -4.734 1.504 -5.380 1.00 0.00 N ATOM 411 CA ALA A 610 -5.559 0.303 -5.345 1.00 0.00 C ATOM 412 C ALA A 610 -6.808 0.503 -4.489 1.00 0.00 C ATOM 413 O ALA A 610 -7.890 0.037 -4.843 1.00 0.00 O ATOM 414 CB ALA A 610 -4.751 -0.879 -4.833 1.00 0.00 C ATOM 0 H ALA A 610 -3.800 1.380 -4.989 1.00 0.00 H new ATOM 0 HA ALA A 610 -5.885 0.096 -6.364 1.00 0.00 H new ATOM 0 HB1 ALA A 610 -5.381 -1.769 -4.813 1.00 0.00 H new ATOM 0 HB2 ALA A 610 -3.901 -1.051 -5.493 1.00 0.00 H new ATOM 0 HB3 ALA A 610 -4.392 -0.665 -3.826 1.00 0.00 H new ATOM 420 N ILE A 611 -6.657 1.195 -3.364 1.00 0.00 N ATOM 421 CA ILE A 611 -7.772 1.402 -2.445 1.00 0.00 C ATOM 422 C ILE A 611 -8.639 2.577 -2.906 1.00 0.00 C ATOM 423 O ILE A 611 -9.852 2.581 -2.698 1.00 0.00 O ATOM 424 CB ILE A 611 -7.273 1.663 -0.970 1.00 0.00 C ATOM 425 CG1 ILE A 611 -6.495 0.458 -0.391 1.00 0.00 C ATOM 426 CG2 ILE A 611 -8.424 2.041 -0.033 1.00 0.00 C ATOM 427 CD1 ILE A 611 -5.507 0.845 0.688 1.00 0.00 C ATOM 0 H ILE A 611 -5.779 1.620 -3.067 1.00 0.00 H new ATOM 0 HA ILE A 611 -8.366 0.488 -2.449 1.00 0.00 H new ATOM 0 HB ILE A 611 -6.588 2.509 -1.033 1.00 0.00 H new ATOM 0 HG12 ILE A 611 -7.205 -0.261 0.017 1.00 0.00 H new ATOM 0 HG13 ILE A 611 -5.962 -0.043 -1.199 1.00 0.00 H new ATOM 0 HG21 ILE A 611 -8.035 2.211 0.971 1.00 0.00 H new ATOM 0 HG22 ILE A 611 -8.904 2.950 -0.395 1.00 0.00 H new ATOM 0 HG23 ILE A 611 -9.153 1.231 -0.007 1.00 0.00 H new ATOM 0 HD11 ILE A 611 -4.996 -0.047 1.050 1.00 0.00 H new ATOM 0 HD12 ILE A 611 -4.775 1.541 0.278 1.00 0.00 H new ATOM 0 HD13 ILE A 611 -6.037 1.320 1.514 1.00 0.00 H new ATOM 439 N PHE A 612 -8.028 3.557 -3.561 1.00 0.00 N ATOM 440 CA PHE A 612 -8.734 4.771 -3.929 1.00 0.00 C ATOM 441 C PHE A 612 -8.070 5.426 -5.137 1.00 0.00 C ATOM 442 O PHE A 612 -7.147 6.230 -4.991 1.00 0.00 O ATOM 443 CB PHE A 612 -8.761 5.729 -2.733 1.00 0.00 C ATOM 444 CG PHE A 612 -9.713 6.881 -2.883 1.00 0.00 C ATOM 445 CD1 PHE A 612 -11.074 6.661 -3.015 1.00 0.00 C ATOM 446 CD2 PHE A 612 -9.248 8.181 -2.878 1.00 0.00 C ATOM 447 CE1 PHE A 612 -11.953 7.720 -3.141 1.00 0.00 C ATOM 448 CE2 PHE A 612 -10.121 9.244 -3.001 1.00 0.00 C ATOM 449 CZ PHE A 612 -11.475 9.014 -3.134 1.00 0.00 C ATOM 0 H PHE A 612 -7.049 3.532 -3.846 1.00 0.00 H new ATOM 0 HA PHE A 612 -9.759 4.524 -4.204 1.00 0.00 H new ATOM 0 HB2 PHE A 612 -9.028 5.167 -1.838 1.00 0.00 H new ATOM 0 HB3 PHE A 612 -7.757 6.122 -2.575 1.00 0.00 H new ATOM 0 HD1 PHE A 612 -11.453 5.650 -3.020 1.00 0.00 H new ATOM 0 HD2 PHE A 612 -8.189 8.369 -2.777 1.00 0.00 H new ATOM 0 HE1 PHE A 612 -13.012 7.535 -3.245 1.00 0.00 H new ATOM 0 HE2 PHE A 612 -9.744 10.256 -2.993 1.00 0.00 H new ATOM 0 HZ PHE A 612 -12.158 9.844 -3.232 1.00 0.00 H new ATOM 459 N PRO A 613 -8.523 5.079 -6.353 1.00 0.00 N ATOM 460 CA PRO A 613 -7.908 5.577 -7.585 1.00 0.00 C ATOM 461 C PRO A 613 -8.373 6.986 -7.945 1.00 0.00 C ATOM 462 O PRO A 613 -7.594 7.789 -8.463 1.00 0.00 O ATOM 463 CB PRO A 613 -8.374 4.569 -8.644 1.00 0.00 C ATOM 464 CG PRO A 613 -9.675 4.030 -8.130 1.00 0.00 C ATOM 465 CD PRO A 613 -9.661 4.161 -6.621 1.00 0.00 C ATOM 0 HA PRO A 613 -6.824 5.655 -7.496 1.00 0.00 H new ATOM 0 HB2 PRO A 613 -8.503 5.049 -9.614 1.00 0.00 H new ATOM 0 HB3 PRO A 613 -7.643 3.772 -8.777 1.00 0.00 H new ATOM 0 HG2 PRO A 613 -10.513 4.583 -8.555 1.00 0.00 H new ATOM 0 HG3 PRO A 613 -9.800 2.987 -8.423 1.00 0.00 H new ATOM 0 HD2 PRO A 613 -10.600 4.569 -6.247 1.00 0.00 H new ATOM 0 HD3 PRO A 613 -9.518 3.195 -6.137 1.00 0.00 H new ATOM 473 N THR A 614 -9.638 7.277 -7.656 1.00 0.00 N ATOM 474 CA THR A 614 -10.257 8.542 -8.042 1.00 0.00 C ATOM 475 C THR A 614 -9.575 9.746 -7.392 1.00 0.00 C ATOM 476 O THR A 614 -9.617 9.907 -6.170 1.00 0.00 O ATOM 477 CB THR A 614 -11.753 8.545 -7.678 1.00 0.00 C ATOM 478 OG1 THR A 614 -11.919 8.127 -6.318 1.00 0.00 O ATOM 479 CG2 THR A 614 -12.529 7.616 -8.599 1.00 0.00 C ATOM 0 H THR A 614 -10.260 6.647 -7.150 1.00 0.00 H new ATOM 0 HA THR A 614 -10.138 8.632 -9.122 1.00 0.00 H new ATOM 0 HB THR A 614 -12.140 9.557 -7.798 1.00 0.00 H new ATOM 0 HG1 THR A 614 -11.295 8.620 -5.746 1.00 0.00 H new ATOM 0 HG21 THR A 614 -13.584 7.631 -8.326 1.00 0.00 H new ATOM 0 HG22 THR A 614 -12.416 7.949 -9.631 1.00 0.00 H new ATOM 0 HG23 THR A 614 -12.144 6.601 -8.501 1.00 0.00 H new ATOM 487 N PRO A 615 -8.933 10.606 -8.202 1.00 0.00 N ATOM 488 CA PRO A 615 -8.300 11.836 -7.721 1.00 0.00 C ATOM 489 C PRO A 615 -9.327 12.945 -7.504 1.00 0.00 C ATOM 490 O PRO A 615 -9.452 13.866 -8.311 1.00 0.00 O ATOM 491 CB PRO A 615 -7.326 12.217 -8.854 1.00 0.00 C ATOM 492 CG PRO A 615 -7.404 11.092 -9.852 1.00 0.00 C ATOM 493 CD PRO A 615 -8.758 10.465 -9.652 1.00 0.00 C ATOM 0 HA PRO A 615 -7.806 11.697 -6.759 1.00 0.00 H new ATOM 0 HB2 PRO A 615 -7.608 13.166 -9.310 1.00 0.00 H new ATOM 0 HB3 PRO A 615 -6.311 12.335 -8.475 1.00 0.00 H new ATOM 0 HG2 PRO A 615 -7.291 11.463 -10.871 1.00 0.00 H new ATOM 0 HG3 PRO A 615 -6.608 10.366 -9.687 1.00 0.00 H new ATOM 0 HD2 PRO A 615 -9.537 10.983 -10.212 1.00 0.00 H new ATOM 0 HD3 PRO A 615 -8.778 9.422 -9.968 1.00 0.00 H new ATOM 501 N ASP A 616 -10.083 12.825 -6.427 1.00 0.00 N ATOM 502 CA ASP A 616 -11.057 13.846 -6.055 1.00 0.00 C ATOM 503 C ASP A 616 -10.354 14.977 -5.309 1.00 0.00 C ATOM 504 O ASP A 616 -9.717 14.743 -4.283 1.00 0.00 O ATOM 505 CB ASP A 616 -12.167 13.245 -5.176 1.00 0.00 C ATOM 506 CG ASP A 616 -13.213 14.269 -4.781 1.00 0.00 C ATOM 507 OD1 ASP A 616 -13.044 14.919 -3.733 1.00 0.00 O ATOM 508 OD2 ASP A 616 -14.213 14.424 -5.510 1.00 0.00 O ATOM 0 H ASP A 616 -10.044 12.029 -5.790 1.00 0.00 H new ATOM 0 HA ASP A 616 -11.515 14.240 -6.962 1.00 0.00 H new ATOM 0 HB2 ASP A 616 -12.648 12.427 -5.713 1.00 0.00 H new ATOM 0 HB3 ASP A 616 -11.723 12.818 -4.277 1.00 0.00 H new ATOM 513 N PRO A 617 -10.453 16.216 -5.825 1.00 0.00 N ATOM 514 CA PRO A 617 -9.748 17.379 -5.265 1.00 0.00 C ATOM 515 C PRO A 617 -10.121 17.665 -3.811 1.00 0.00 C ATOM 516 O PRO A 617 -9.339 18.262 -3.071 1.00 0.00 O ATOM 517 CB PRO A 617 -10.186 18.549 -6.166 1.00 0.00 C ATOM 518 CG PRO A 617 -11.413 18.070 -6.858 1.00 0.00 C ATOM 519 CD PRO A 617 -11.248 16.584 -7.009 1.00 0.00 C ATOM 0 HA PRO A 617 -8.671 17.212 -5.250 1.00 0.00 H new ATOM 0 HB2 PRO A 617 -10.389 19.444 -5.578 1.00 0.00 H new ATOM 0 HB3 PRO A 617 -9.406 18.808 -6.882 1.00 0.00 H new ATOM 0 HG2 PRO A 617 -12.306 18.307 -6.279 1.00 0.00 H new ATOM 0 HG3 PRO A 617 -11.526 18.551 -7.830 1.00 0.00 H new ATOM 0 HD2 PRO A 617 -12.210 16.071 -7.025 1.00 0.00 H new ATOM 0 HD3 PRO A 617 -10.734 16.327 -7.936 1.00 0.00 H new ATOM 527 N ALA A 618 -11.314 17.254 -3.406 1.00 0.00 N ATOM 528 CA ALA A 618 -11.762 17.465 -2.041 1.00 0.00 C ATOM 529 C ALA A 618 -11.240 16.356 -1.140 1.00 0.00 C ATOM 530 O ALA A 618 -10.710 16.619 -0.061 1.00 0.00 O ATOM 531 CB ALA A 618 -13.277 17.534 -1.982 1.00 0.00 C ATOM 0 H ALA A 618 -11.987 16.773 -4.003 1.00 0.00 H new ATOM 0 HA ALA A 618 -11.364 18.416 -1.687 1.00 0.00 H new ATOM 0 HB1 ALA A 618 -13.594 17.692 -0.951 1.00 0.00 H new ATOM 0 HB2 ALA A 618 -13.628 18.360 -2.601 1.00 0.00 H new ATOM 0 HB3 ALA A 618 -13.698 16.599 -2.352 1.00 0.00 H new ATOM 537 N ALA A 619 -11.408 15.117 -1.588 1.00 0.00 N ATOM 538 CA ALA A 619 -10.874 13.957 -0.883 1.00 0.00 C ATOM 539 C ALA A 619 -9.360 14.048 -0.730 1.00 0.00 C ATOM 540 O ALA A 619 -8.794 13.550 0.242 1.00 0.00 O ATOM 541 CB ALA A 619 -11.253 12.677 -1.608 1.00 0.00 C ATOM 0 H ALA A 619 -11.914 14.889 -2.444 1.00 0.00 H new ATOM 0 HA ALA A 619 -11.312 13.943 0.115 1.00 0.00 H new ATOM 0 HB1 ALA A 619 -10.847 11.820 -1.070 1.00 0.00 H new ATOM 0 HB2 ALA A 619 -12.339 12.594 -1.656 1.00 0.00 H new ATOM 0 HB3 ALA A 619 -10.845 12.697 -2.619 1.00 0.00 H new ATOM 547 N LEU A 620 -8.712 14.696 -1.690 1.00 0.00 N ATOM 548 CA LEU A 620 -7.268 14.894 -1.646 1.00 0.00 C ATOM 549 C LEU A 620 -6.887 15.688 -0.399 1.00 0.00 C ATOM 550 O LEU A 620 -5.821 15.489 0.182 1.00 0.00 O ATOM 551 CB LEU A 620 -6.798 15.637 -2.903 1.00 0.00 C ATOM 552 CG LEU A 620 -5.653 14.975 -3.681 1.00 0.00 C ATOM 553 CD1 LEU A 620 -4.411 14.823 -2.810 1.00 0.00 C ATOM 554 CD2 LEU A 620 -6.088 13.624 -4.231 1.00 0.00 C ATOM 0 H LEU A 620 -9.166 15.095 -2.512 1.00 0.00 H new ATOM 0 HA LEU A 620 -6.781 13.920 -1.609 1.00 0.00 H new ATOM 0 HB2 LEU A 620 -7.649 15.752 -3.574 1.00 0.00 H new ATOM 0 HB3 LEU A 620 -6.483 16.640 -2.613 1.00 0.00 H new ATOM 0 HG LEU A 620 -5.399 15.624 -4.519 1.00 0.00 H new ATOM 0 HD11 LEU A 620 -3.617 14.351 -3.388 1.00 0.00 H new ATOM 0 HD12 LEU A 620 -4.080 15.806 -2.473 1.00 0.00 H new ATOM 0 HD13 LEU A 620 -4.647 14.204 -1.945 1.00 0.00 H new ATOM 0 HD21 LEU A 620 -5.262 13.171 -4.779 1.00 0.00 H new ATOM 0 HD22 LEU A 620 -6.377 12.972 -3.407 1.00 0.00 H new ATOM 0 HD23 LEU A 620 -6.937 13.760 -4.901 1.00 0.00 H new ATOM 566 N LYS A 621 -7.780 16.579 0.009 1.00 0.00 N ATOM 567 CA LYS A 621 -7.567 17.416 1.183 1.00 0.00 C ATOM 568 C LYS A 621 -8.315 16.866 2.396 1.00 0.00 C ATOM 569 O LYS A 621 -8.524 17.577 3.380 1.00 0.00 O ATOM 570 CB LYS A 621 -8.045 18.842 0.896 1.00 0.00 C ATOM 571 CG LYS A 621 -7.330 19.505 -0.270 1.00 0.00 C ATOM 572 CD LYS A 621 -7.990 20.820 -0.653 1.00 0.00 C ATOM 573 CE LYS A 621 -7.986 21.813 0.496 1.00 0.00 C ATOM 574 NZ LYS A 621 -8.684 23.074 0.138 1.00 0.00 N ATOM 0 H LYS A 621 -8.670 16.742 -0.462 1.00 0.00 H new ATOM 0 HA LYS A 621 -6.500 17.419 1.407 1.00 0.00 H new ATOM 0 HB2 LYS A 621 -9.115 18.822 0.690 1.00 0.00 H new ATOM 0 HB3 LYS A 621 -7.904 19.450 1.790 1.00 0.00 H new ATOM 0 HG2 LYS A 621 -6.288 19.683 -0.005 1.00 0.00 H new ATOM 0 HG3 LYS A 621 -7.330 18.833 -1.128 1.00 0.00 H new ATOM 0 HD2 LYS A 621 -7.469 21.252 -1.508 1.00 0.00 H new ATOM 0 HD3 LYS A 621 -9.017 20.633 -0.967 1.00 0.00 H new ATOM 0 HE2 LYS A 621 -8.468 21.365 1.365 1.00 0.00 H new ATOM 0 HE3 LYS A 621 -6.958 22.035 0.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 621 -8.660 23.726 0.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 621 -8.209 23.515 -0.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 621 -9.672 22.866 -0.109 1.00 0.00 H new ATOM 588 N ASP A 622 -8.725 15.608 2.324 1.00 0.00 N ATOM 589 CA ASP A 622 -9.502 15.005 3.398 1.00 0.00 C ATOM 590 C ASP A 622 -8.591 14.250 4.356 1.00 0.00 C ATOM 591 O ASP A 622 -7.776 13.421 3.940 1.00 0.00 O ATOM 592 CB ASP A 622 -10.573 14.069 2.831 1.00 0.00 C ATOM 593 CG ASP A 622 -11.440 13.466 3.914 1.00 0.00 C ATOM 594 OD1 ASP A 622 -12.347 14.168 4.406 1.00 0.00 O ATOM 595 OD2 ASP A 622 -11.223 12.295 4.275 1.00 0.00 O ATOM 0 H ASP A 622 -8.534 14.987 1.537 1.00 0.00 H new ATOM 0 HA ASP A 622 -10.000 15.803 3.949 1.00 0.00 H new ATOM 0 HB2 ASP A 622 -11.201 14.621 2.131 1.00 0.00 H new ATOM 0 HB3 ASP A 622 -10.092 13.270 2.267 1.00 0.00 H new ATOM 600 N ARG A 623 -8.730 14.576 5.642 1.00 0.00 N ATOM 601 CA ARG A 623 -7.910 14.006 6.709 1.00 0.00 C ATOM 602 C ARG A 623 -7.958 12.481 6.745 1.00 0.00 C ATOM 603 O ARG A 623 -6.956 11.839 7.061 1.00 0.00 O ATOM 604 CB ARG A 623 -8.342 14.571 8.062 1.00 0.00 C ATOM 605 CG ARG A 623 -7.991 16.037 8.256 1.00 0.00 C ATOM 606 CD ARG A 623 -8.577 16.586 9.545 1.00 0.00 C ATOM 607 NE ARG A 623 -10.040 16.558 9.540 1.00 0.00 N ATOM 608 CZ ARG A 623 -10.797 16.764 10.617 1.00 0.00 C ATOM 609 NH1 ARG A 623 -10.232 17.028 11.790 1.00 0.00 N ATOM 610 NH2 ARG A 623 -12.119 16.712 10.519 1.00 0.00 N ATOM 0 H ARG A 623 -9.421 15.249 5.974 1.00 0.00 H new ATOM 0 HA ARG A 623 -6.878 14.288 6.498 1.00 0.00 H new ATOM 0 HB2 ARG A 623 -9.420 14.448 8.169 1.00 0.00 H new ATOM 0 HB3 ARG A 623 -7.874 13.987 8.855 1.00 0.00 H new ATOM 0 HG2 ARG A 623 -6.907 16.154 8.270 1.00 0.00 H new ATOM 0 HG3 ARG A 623 -8.363 16.616 7.411 1.00 0.00 H new ATOM 0 HD2 ARG A 623 -8.207 16.003 10.388 1.00 0.00 H new ATOM 0 HD3 ARG A 623 -8.235 17.611 9.691 1.00 0.00 H new ATOM 0 HE ARG A 623 -10.511 16.369 8.655 1.00 0.00 H new ATOM 0 HH11 ARG A 623 -9.216 17.073 11.868 1.00 0.00 H new ATOM 0 HH12 ARG A 623 -10.814 17.185 12.613 1.00 0.00 H new ATOM 0 HH21 ARG A 623 -12.556 16.514 9.619 1.00 0.00 H new ATOM 0 HH22 ARG A 623 -12.698 16.870 11.344 1.00 0.00 H new ATOM 624 N ARG A 624 -9.120 11.898 6.470 1.00 0.00 N ATOM 625 CA ARG A 624 -9.271 10.446 6.536 1.00 0.00 C ATOM 626 C ARG A 624 -8.396 9.751 5.497 1.00 0.00 C ATOM 627 O ARG A 624 -7.842 8.683 5.771 1.00 0.00 O ATOM 628 CB ARG A 624 -10.736 10.010 6.394 1.00 0.00 C ATOM 629 CG ARG A 624 -11.529 10.069 7.698 1.00 0.00 C ATOM 630 CD ARG A 624 -12.029 8.689 8.124 1.00 0.00 C ATOM 631 NE ARG A 624 -10.926 7.756 8.365 1.00 0.00 N ATOM 632 CZ ARG A 624 -11.079 6.436 8.468 1.00 0.00 C ATOM 633 NH1 ARG A 624 -12.286 5.891 8.361 1.00 0.00 N ATOM 634 NH2 ARG A 624 -10.027 5.658 8.697 1.00 0.00 N ATOM 0 H ARG A 624 -9.965 12.402 6.201 1.00 0.00 H new ATOM 0 HA ARG A 624 -8.935 10.139 7.526 1.00 0.00 H new ATOM 0 HB2 ARG A 624 -11.224 10.645 5.655 1.00 0.00 H new ATOM 0 HB3 ARG A 624 -10.766 8.991 6.008 1.00 0.00 H new ATOM 0 HG2 ARG A 624 -10.902 10.487 8.486 1.00 0.00 H new ATOM 0 HG3 ARG A 624 -12.378 10.741 7.576 1.00 0.00 H new ATOM 0 HD2 ARG A 624 -12.628 8.784 9.030 1.00 0.00 H new ATOM 0 HD3 ARG A 624 -12.683 8.286 7.351 1.00 0.00 H new ATOM 0 HE ARG A 624 -9.985 8.139 8.460 1.00 0.00 H new ATOM 0 HH11 ARG A 624 -13.101 6.483 8.199 1.00 0.00 H new ATOM 0 HH12 ARG A 624 -12.398 4.880 8.441 1.00 0.00 H new ATOM 0 HH21 ARG A 624 -9.099 6.070 8.794 1.00 0.00 H new ATOM 0 HH22 ARG A 624 -10.147 4.648 8.775 1.00 0.00 H new ATOM 648 N MET A 625 -8.276 10.343 4.307 1.00 0.00 N ATOM 649 CA MET A 625 -7.396 9.791 3.274 1.00 0.00 C ATOM 650 C MET A 625 -5.971 9.627 3.810 1.00 0.00 C ATOM 651 O MET A 625 -5.298 8.642 3.503 1.00 0.00 O ATOM 652 CB MET A 625 -7.394 10.650 1.994 1.00 0.00 C ATOM 653 CG MET A 625 -6.273 10.273 1.021 1.00 0.00 C ATOM 654 SD MET A 625 -6.184 11.346 -0.428 1.00 0.00 S ATOM 655 CE MET A 625 -7.722 10.943 -1.245 1.00 0.00 C ATOM 0 H MET A 625 -8.770 11.194 4.036 1.00 0.00 H new ATOM 0 HA MET A 625 -7.789 8.810 3.007 1.00 0.00 H new ATOM 0 HB2 MET A 625 -8.355 10.544 1.491 1.00 0.00 H new ATOM 0 HB3 MET A 625 -7.292 11.700 2.268 1.00 0.00 H new ATOM 0 HG2 MET A 625 -5.319 10.307 1.548 1.00 0.00 H new ATOM 0 HG3 MET A 625 -6.419 9.244 0.693 1.00 0.00 H new ATOM 0 HE1 MET A 625 -7.748 11.418 -2.226 1.00 0.00 H new ATOM 0 HE2 MET A 625 -7.799 9.862 -1.363 1.00 0.00 H new ATOM 0 HE3 MET A 625 -8.558 11.303 -0.645 1.00 0.00 H new ATOM 665 N GLU A 626 -5.530 10.586 4.626 1.00 0.00 N ATOM 666 CA GLU A 626 -4.191 10.558 5.202 1.00 0.00 C ATOM 667 C GLU A 626 -3.957 9.266 5.976 1.00 0.00 C ATOM 668 O GLU A 626 -2.869 8.701 5.936 1.00 0.00 O ATOM 669 CB GLU A 626 -3.968 11.766 6.110 1.00 0.00 C ATOM 670 CG GLU A 626 -4.029 13.090 5.372 1.00 0.00 C ATOM 671 CD GLU A 626 -3.746 14.269 6.272 1.00 0.00 C ATOM 672 OE1 GLU A 626 -2.591 14.409 6.729 1.00 0.00 O ATOM 673 OE2 GLU A 626 -4.671 15.063 6.530 1.00 0.00 O ATOM 0 H GLU A 626 -6.087 11.395 4.902 1.00 0.00 H new ATOM 0 HA GLU A 626 -3.474 10.602 4.382 1.00 0.00 H new ATOM 0 HB2 GLU A 626 -4.720 11.763 6.899 1.00 0.00 H new ATOM 0 HB3 GLU A 626 -2.996 11.673 6.595 1.00 0.00 H new ATOM 0 HG2 GLU A 626 -3.308 13.080 4.555 1.00 0.00 H new ATOM 0 HG3 GLU A 626 -5.016 13.207 4.925 1.00 0.00 H new ATOM 680 N ASN A 627 -4.989 8.803 6.679 1.00 0.00 N ATOM 681 CA ASN A 627 -4.898 7.572 7.465 1.00 0.00 C ATOM 682 C ASN A 627 -4.571 6.391 6.563 1.00 0.00 C ATOM 683 O ASN A 627 -3.727 5.558 6.891 1.00 0.00 O ATOM 684 CB ASN A 627 -6.218 7.275 8.192 1.00 0.00 C ATOM 685 CG ASN A 627 -6.693 8.407 9.102 1.00 0.00 C ATOM 686 OD1 ASN A 627 -7.896 8.572 9.310 1.00 0.00 O ATOM 687 ND2 ASN A 627 -5.768 9.197 9.644 1.00 0.00 N ATOM 0 H ASN A 627 -5.899 9.262 6.721 1.00 0.00 H new ATOM 0 HA ASN A 627 -4.106 7.716 8.200 1.00 0.00 H new ATOM 0 HB2 ASN A 627 -6.991 7.069 7.451 1.00 0.00 H new ATOM 0 HB3 ASN A 627 -6.098 6.370 8.787 1.00 0.00 H new ATOM 0 HD21 ASN A 627 -6.047 9.967 10.252 1.00 0.00 H new ATOM 0 HD22 ASN A 627 -4.780 9.032 9.451 1.00 0.00 H new ATOM 694 N LEU A 628 -5.251 6.331 5.423 1.00 0.00 N ATOM 695 CA LEU A 628 -5.067 5.228 4.478 1.00 0.00 C ATOM 696 C LEU A 628 -3.660 5.289 3.886 1.00 0.00 C ATOM 697 O LEU A 628 -2.992 4.266 3.734 1.00 0.00 O ATOM 698 CB LEU A 628 -6.162 5.257 3.379 1.00 0.00 C ATOM 699 CG LEU A 628 -5.701 5.568 1.949 1.00 0.00 C ATOM 700 CD1 LEU A 628 -5.178 4.314 1.265 1.00 0.00 C ATOM 701 CD2 LEU A 628 -6.840 6.175 1.142 1.00 0.00 C ATOM 0 H LEU A 628 -5.933 7.030 5.129 1.00 0.00 H new ATOM 0 HA LEU A 628 -5.172 4.279 5.004 1.00 0.00 H new ATOM 0 HB2 LEU A 628 -6.661 4.288 3.372 1.00 0.00 H new ATOM 0 HB3 LEU A 628 -6.909 5.998 3.664 1.00 0.00 H new ATOM 0 HG LEU A 628 -4.888 6.292 2.004 1.00 0.00 H new ATOM 0 HD11 LEU A 628 -4.857 4.559 0.253 1.00 0.00 H new ATOM 0 HD12 LEU A 628 -4.333 3.918 1.828 1.00 0.00 H new ATOM 0 HD13 LEU A 628 -5.969 3.565 1.224 1.00 0.00 H new ATOM 0 HD21 LEU A 628 -6.495 6.389 0.130 1.00 0.00 H new ATOM 0 HD22 LEU A 628 -7.672 5.472 1.101 1.00 0.00 H new ATOM 0 HD23 LEU A 628 -7.170 7.099 1.616 1.00 0.00 H new ATOM 713 N VAL A 629 -3.209 6.503 3.576 1.00 0.00 N ATOM 714 CA VAL A 629 -1.871 6.702 3.030 1.00 0.00 C ATOM 715 C VAL A 629 -0.820 6.327 4.070 1.00 0.00 C ATOM 716 O VAL A 629 0.185 5.683 3.762 1.00 0.00 O ATOM 717 CB VAL A 629 -1.646 8.160 2.574 1.00 0.00 C ATOM 718 CG1 VAL A 629 -0.264 8.327 1.958 1.00 0.00 C ATOM 719 CG2 VAL A 629 -2.723 8.587 1.588 1.00 0.00 C ATOM 0 H VAL A 629 -3.749 7.360 3.694 1.00 0.00 H new ATOM 0 HA VAL A 629 -1.776 6.057 2.157 1.00 0.00 H new ATOM 0 HB VAL A 629 -1.709 8.802 3.452 1.00 0.00 H new ATOM 0 HG11 VAL A 629 -0.128 9.362 1.644 1.00 0.00 H new ATOM 0 HG12 VAL A 629 0.496 8.068 2.695 1.00 0.00 H new ATOM 0 HG13 VAL A 629 -0.169 7.670 1.093 1.00 0.00 H new ATOM 0 HG21 VAL A 629 -2.546 9.617 1.279 1.00 0.00 H new ATOM 0 HG22 VAL A 629 -2.695 7.936 0.714 1.00 0.00 H new ATOM 0 HG23 VAL A 629 -3.701 8.514 2.063 1.00 0.00 H new ATOM 729 N ALA A 630 -1.070 6.733 5.309 1.00 0.00 N ATOM 730 CA ALA A 630 -0.187 6.417 6.417 1.00 0.00 C ATOM 731 C ALA A 630 -0.110 4.907 6.637 1.00 0.00 C ATOM 732 O ALA A 630 0.962 4.374 6.923 1.00 0.00 O ATOM 733 CB ALA A 630 -0.634 7.146 7.680 1.00 0.00 C ATOM 0 H ALA A 630 -1.886 7.287 5.570 1.00 0.00 H new ATOM 0 HA ALA A 630 0.817 6.762 6.171 1.00 0.00 H new ATOM 0 HB1 ALA A 630 0.039 6.898 8.501 1.00 0.00 H new ATOM 0 HB2 ALA A 630 -0.613 8.222 7.506 1.00 0.00 H new ATOM 0 HB3 ALA A 630 -1.648 6.840 7.937 1.00 0.00 H new ATOM 739 N TYR A 631 -1.242 4.216 6.498 1.00 0.00 N ATOM 740 CA TYR A 631 -1.259 2.758 6.610 1.00 0.00 C ATOM 741 C TYR A 631 -0.429 2.131 5.491 1.00 0.00 C ATOM 742 O TYR A 631 0.253 1.128 5.703 1.00 0.00 O ATOM 743 CB TYR A 631 -2.682 2.180 6.591 1.00 0.00 C ATOM 744 CG TYR A 631 -2.709 0.707 6.934 1.00 0.00 C ATOM 745 CD1 TYR A 631 -2.397 0.279 8.220 1.00 0.00 C ATOM 746 CD2 TYR A 631 -3.027 -0.254 5.984 1.00 0.00 C ATOM 747 CE1 TYR A 631 -2.398 -1.061 8.547 1.00 0.00 C ATOM 748 CE2 TYR A 631 -3.033 -1.598 6.306 1.00 0.00 C ATOM 749 CZ TYR A 631 -2.717 -1.995 7.588 1.00 0.00 C ATOM 750 OH TYR A 631 -2.717 -3.333 7.908 1.00 0.00 O ATOM 0 H TYR A 631 -2.151 4.638 6.309 1.00 0.00 H new ATOM 0 HA TYR A 631 -0.822 2.510 7.577 1.00 0.00 H new ATOM 0 HB2 TYR A 631 -3.303 2.727 7.300 1.00 0.00 H new ATOM 0 HB3 TYR A 631 -3.119 2.329 5.603 1.00 0.00 H new ATOM 0 HD1 TYR A 631 -2.149 1.009 8.976 1.00 0.00 H new ATOM 0 HD2 TYR A 631 -3.273 0.053 4.978 1.00 0.00 H new ATOM 0 HE1 TYR A 631 -2.150 -1.375 9.550 1.00 0.00 H new ATOM 0 HE2 TYR A 631 -3.284 -2.334 5.557 1.00 0.00 H new ATOM 0 HH TYR A 631 -2.947 -3.443 8.854 1.00 0.00 H new ATOM 760 N ALA A 632 -0.505 2.716 4.298 1.00 0.00 N ATOM 761 CA ALA A 632 0.290 2.253 3.164 1.00 0.00 C ATOM 762 C ALA A 632 1.781 2.295 3.509 1.00 0.00 C ATOM 763 O ALA A 632 2.536 1.390 3.148 1.00 0.00 O ATOM 764 CB ALA A 632 -0.010 3.085 1.919 1.00 0.00 C ATOM 0 H ALA A 632 -1.109 3.512 4.092 1.00 0.00 H new ATOM 0 HA ALA A 632 0.019 1.220 2.947 1.00 0.00 H new ATOM 0 HB1 ALA A 632 0.593 2.724 1.086 1.00 0.00 H new ATOM 0 HB2 ALA A 632 -1.067 2.996 1.668 1.00 0.00 H new ATOM 0 HB3 ALA A 632 0.230 4.130 2.114 1.00 0.00 H new ATOM 770 N LYS A 633 2.194 3.347 4.218 1.00 0.00 N ATOM 771 CA LYS A 633 3.564 3.455 4.715 1.00 0.00 C ATOM 772 C LYS A 633 3.892 2.314 5.676 1.00 0.00 C ATOM 773 O LYS A 633 5.003 1.787 5.660 1.00 0.00 O ATOM 774 CB LYS A 633 3.783 4.796 5.426 1.00 0.00 C ATOM 775 CG LYS A 633 4.680 5.765 4.667 1.00 0.00 C ATOM 776 CD LYS A 633 4.052 6.199 3.353 1.00 0.00 C ATOM 777 CE LYS A 633 2.928 7.204 3.563 1.00 0.00 C ATOM 778 NZ LYS A 633 3.398 8.433 4.256 1.00 0.00 N ATOM 0 H LYS A 633 1.597 4.137 4.461 1.00 0.00 H new ATOM 0 HA LYS A 633 4.228 3.394 3.853 1.00 0.00 H new ATOM 0 HB2 LYS A 633 2.815 5.269 5.592 1.00 0.00 H new ATOM 0 HB3 LYS A 633 4.219 4.608 6.407 1.00 0.00 H new ATOM 0 HG2 LYS A 633 4.874 6.642 5.285 1.00 0.00 H new ATOM 0 HG3 LYS A 633 5.643 5.293 4.472 1.00 0.00 H new ATOM 0 HD2 LYS A 633 4.817 6.639 2.713 1.00 0.00 H new ATOM 0 HD3 LYS A 633 3.664 5.325 2.830 1.00 0.00 H new ATOM 0 HE2 LYS A 633 2.499 7.474 2.598 1.00 0.00 H new ATOM 0 HE3 LYS A 633 2.133 6.741 4.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 633 2.725 9.207 4.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 633 3.464 8.252 5.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 633 4.334 8.701 3.891 1.00 0.00 H new ATOM 792 N LYS A 634 2.934 1.955 6.527 1.00 0.00 N ATOM 793 CA LYS A 634 3.107 0.829 7.448 1.00 0.00 C ATOM 794 C LYS A 634 3.430 -0.443 6.678 1.00 0.00 C ATOM 795 O LYS A 634 4.345 -1.181 7.039 1.00 0.00 O ATOM 796 CB LYS A 634 1.854 0.603 8.301 1.00 0.00 C ATOM 797 CG LYS A 634 1.845 1.365 9.618 1.00 0.00 C ATOM 798 CD LYS A 634 1.868 2.865 9.411 1.00 0.00 C ATOM 799 CE LYS A 634 1.864 3.601 10.737 1.00 0.00 C ATOM 800 NZ LYS A 634 1.760 5.071 10.557 1.00 0.00 N ATOM 0 H LYS A 634 2.031 2.424 6.600 1.00 0.00 H new ATOM 0 HA LYS A 634 3.936 1.075 8.111 1.00 0.00 H new ATOM 0 HB2 LYS A 634 0.978 0.893 7.721 1.00 0.00 H new ATOM 0 HB3 LYS A 634 1.759 -0.462 8.511 1.00 0.00 H new ATOM 0 HG2 LYS A 634 0.957 1.092 10.188 1.00 0.00 H new ATOM 0 HG3 LYS A 634 2.709 1.069 10.213 1.00 0.00 H new ATOM 0 HD2 LYS A 634 2.754 3.143 8.841 1.00 0.00 H new ATOM 0 HD3 LYS A 634 1.002 3.167 8.822 1.00 0.00 H new ATOM 0 HE2 LYS A 634 1.029 3.250 11.344 1.00 0.00 H new ATOM 0 HE3 LYS A 634 2.777 3.366 11.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 634 1.761 5.536 11.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 634 2.570 5.411 10.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 634 0.877 5.298 10.057 1.00 0.00 H new ATOM 814 N VAL A 635 2.664 -0.692 5.622 1.00 0.00 N ATOM 815 CA VAL A 635 2.924 -1.819 4.737 1.00 0.00 C ATOM 816 C VAL A 635 4.354 -1.773 4.208 1.00 0.00 C ATOM 817 O VAL A 635 5.088 -2.755 4.304 1.00 0.00 O ATOM 818 CB VAL A 635 1.922 -1.854 3.558 1.00 0.00 C ATOM 819 CG1 VAL A 635 2.456 -2.690 2.405 1.00 0.00 C ATOM 820 CG2 VAL A 635 0.584 -2.412 4.019 1.00 0.00 C ATOM 0 H VAL A 635 1.857 -0.127 5.358 1.00 0.00 H new ATOM 0 HA VAL A 635 2.794 -2.730 5.321 1.00 0.00 H new ATOM 0 HB VAL A 635 1.786 -0.831 3.207 1.00 0.00 H new ATOM 0 HG11 VAL A 635 1.730 -2.695 1.592 1.00 0.00 H new ATOM 0 HG12 VAL A 635 3.394 -2.263 2.050 1.00 0.00 H new ATOM 0 HG13 VAL A 635 2.627 -3.711 2.745 1.00 0.00 H new ATOM 0 HG21 VAL A 635 -0.111 -2.431 3.180 1.00 0.00 H new ATOM 0 HG22 VAL A 635 0.723 -3.425 4.398 1.00 0.00 H new ATOM 0 HG23 VAL A 635 0.180 -1.781 4.811 1.00 0.00 H new ATOM 830 N GLU A 636 4.752 -0.621 3.681 1.00 0.00 N ATOM 831 CA GLU A 636 6.094 -0.426 3.172 1.00 0.00 C ATOM 832 C GLU A 636 7.136 -0.714 4.260 1.00 0.00 C ATOM 833 O GLU A 636 8.157 -1.357 4.000 1.00 0.00 O ATOM 834 CB GLU A 636 6.202 1.003 2.632 1.00 0.00 C ATOM 835 CG GLU A 636 7.535 1.337 2.004 1.00 0.00 C ATOM 836 CD GLU A 636 8.505 1.979 2.976 1.00 0.00 C ATOM 837 OE1 GLU A 636 8.163 3.038 3.540 1.00 0.00 O ATOM 838 OE2 GLU A 636 9.608 1.432 3.180 1.00 0.00 O ATOM 0 H GLU A 636 4.151 0.199 3.597 1.00 0.00 H new ATOM 0 HA GLU A 636 6.296 -1.125 2.361 1.00 0.00 H new ATOM 0 HB2 GLU A 636 5.417 1.158 1.892 1.00 0.00 H new ATOM 0 HB3 GLU A 636 6.014 1.701 3.448 1.00 0.00 H new ATOM 0 HG2 GLU A 636 7.980 0.426 1.604 1.00 0.00 H new ATOM 0 HG3 GLU A 636 7.375 2.010 1.162 1.00 0.00 H new ATOM 845 N GLY A 637 6.861 -0.261 5.482 1.00 0.00 N ATOM 846 CA GLY A 637 7.759 -0.513 6.596 1.00 0.00 C ATOM 847 C GLY A 637 7.866 -1.987 6.941 1.00 0.00 C ATOM 848 O GLY A 637 8.967 -2.509 7.102 1.00 0.00 O ATOM 0 H GLY A 637 6.028 0.278 5.720 1.00 0.00 H new ATOM 0 HA2 GLY A 637 8.749 -0.128 6.353 1.00 0.00 H new ATOM 0 HA3 GLY A 637 7.409 0.036 7.470 1.00 0.00 H new ATOM 852 N ASP A 638 6.722 -2.656 7.049 1.00 0.00 N ATOM 853 CA ASP A 638 6.680 -4.082 7.388 1.00 0.00 C ATOM 854 C ASP A 638 7.418 -4.920 6.350 1.00 0.00 C ATOM 855 O ASP A 638 8.184 -5.825 6.694 1.00 0.00 O ATOM 856 CB ASP A 638 5.227 -4.555 7.500 1.00 0.00 C ATOM 857 CG ASP A 638 5.113 -6.040 7.782 1.00 0.00 C ATOM 858 OD1 ASP A 638 5.078 -6.836 6.819 1.00 0.00 O ATOM 859 OD2 ASP A 638 5.044 -6.415 8.971 1.00 0.00 O ATOM 0 H ASP A 638 5.804 -2.234 6.906 1.00 0.00 H new ATOM 0 HA ASP A 638 7.179 -4.213 8.348 1.00 0.00 H new ATOM 0 HB2 ASP A 638 4.729 -4.000 8.295 1.00 0.00 H new ATOM 0 HB3 ASP A 638 4.702 -4.324 6.573 1.00 0.00 H new ATOM 864 N MET A 639 7.185 -4.609 5.082 1.00 0.00 N ATOM 865 CA MET A 639 7.845 -5.305 3.976 1.00 0.00 C ATOM 866 C MET A 639 9.356 -5.199 4.101 1.00 0.00 C ATOM 867 O MET A 639 10.076 -6.126 3.758 1.00 0.00 O ATOM 868 CB MET A 639 7.413 -4.750 2.605 1.00 0.00 C ATOM 869 CG MET A 639 5.906 -4.760 2.366 1.00 0.00 C ATOM 870 SD MET A 639 5.199 -6.412 2.463 1.00 0.00 S ATOM 871 CE MET A 639 3.483 -6.049 2.123 1.00 0.00 C ATOM 0 H MET A 639 6.540 -3.875 4.789 1.00 0.00 H new ATOM 0 HA MET A 639 7.541 -6.350 4.036 1.00 0.00 H new ATOM 0 HB2 MET A 639 7.777 -3.727 2.510 1.00 0.00 H new ATOM 0 HB3 MET A 639 7.896 -5.334 1.822 1.00 0.00 H new ATOM 0 HG2 MET A 639 5.421 -4.118 3.101 1.00 0.00 H new ATOM 0 HG3 MET A 639 5.695 -4.336 1.384 1.00 0.00 H new ATOM 0 HE1 MET A 639 3.007 -6.924 1.680 1.00 0.00 H new ATOM 0 HE2 MET A 639 2.975 -5.791 3.052 1.00 0.00 H new ATOM 0 HE3 MET A 639 3.419 -5.211 1.429 1.00 0.00 H new ATOM 881 N TYR A 640 9.805 -4.049 4.583 1.00 0.00 N ATOM 882 CA TYR A 640 11.232 -3.702 4.599 1.00 0.00 C ATOM 883 C TYR A 640 12.116 -4.799 5.219 1.00 0.00 C ATOM 884 O TYR A 640 13.248 -4.983 4.774 1.00 0.00 O ATOM 885 CB TYR A 640 11.510 -2.345 5.270 1.00 0.00 C ATOM 886 CG TYR A 640 12.460 -1.510 4.457 1.00 0.00 C ATOM 887 CD1 TYR A 640 12.007 -0.836 3.335 1.00 0.00 C ATOM 888 CD2 TYR A 640 13.801 -1.404 4.792 1.00 0.00 C ATOM 889 CE1 TYR A 640 12.860 -0.083 2.562 1.00 0.00 C ATOM 890 CE2 TYR A 640 14.664 -0.646 4.026 1.00 0.00 C ATOM 891 CZ TYR A 640 14.190 0.012 2.912 1.00 0.00 C ATOM 892 OH TYR A 640 15.055 0.755 2.138 1.00 0.00 O ATOM 0 H TYR A 640 9.199 -3.328 4.974 1.00 0.00 H new ATOM 0 HA TYR A 640 11.507 -3.617 3.548 1.00 0.00 H new ATOM 0 HB2 TYR A 640 10.572 -1.805 5.403 1.00 0.00 H new ATOM 0 HB3 TYR A 640 11.927 -2.508 6.264 1.00 0.00 H new ATOM 0 HD1 TYR A 640 10.964 -0.903 3.062 1.00 0.00 H new ATOM 0 HD2 TYR A 640 14.175 -1.921 5.663 1.00 0.00 H new ATOM 0 HE1 TYR A 640 12.490 0.430 1.687 1.00 0.00 H new ATOM 0 HE2 TYR A 640 15.706 -0.569 4.299 1.00 0.00 H new ATOM 0 HH TYR A 640 15.954 0.718 2.525 1.00 0.00 H new ATOM 902 N GLU A 641 11.639 -5.512 6.243 1.00 0.00 N ATOM 903 CA GLU A 641 12.431 -6.620 6.802 1.00 0.00 C ATOM 904 C GLU A 641 12.638 -7.699 5.741 1.00 0.00 C ATOM 905 O GLU A 641 13.759 -8.138 5.490 1.00 0.00 O ATOM 906 CB GLU A 641 11.763 -7.247 8.037 1.00 0.00 C ATOM 907 CG GLU A 641 11.990 -6.465 9.346 1.00 0.00 C ATOM 908 CD GLU A 641 11.181 -5.192 9.411 1.00 0.00 C ATOM 909 OE1 GLU A 641 9.989 -5.257 9.778 1.00 0.00 O ATOM 910 OE2 GLU A 641 11.743 -4.118 9.109 1.00 0.00 O ATOM 0 H GLU A 641 10.738 -5.353 6.693 1.00 0.00 H new ATOM 0 HA GLU A 641 13.390 -6.206 7.113 1.00 0.00 H new ATOM 0 HB2 GLU A 641 10.691 -7.325 7.855 1.00 0.00 H new ATOM 0 HB3 GLU A 641 12.140 -8.262 8.164 1.00 0.00 H new ATOM 0 HG2 GLU A 641 11.730 -7.100 10.193 1.00 0.00 H new ATOM 0 HG3 GLU A 641 13.049 -6.223 9.441 1.00 0.00 H new ATOM 917 N SER A 642 11.539 -8.108 5.126 1.00 0.00 N ATOM 918 CA SER A 642 11.550 -9.099 4.055 1.00 0.00 C ATOM 919 C SER A 642 12.289 -8.579 2.811 1.00 0.00 C ATOM 920 O SER A 642 12.952 -9.344 2.111 1.00 0.00 O ATOM 921 CB SER A 642 10.114 -9.481 3.705 1.00 0.00 C ATOM 922 OG SER A 642 9.386 -9.838 4.870 1.00 0.00 O ATOM 0 H SER A 642 10.608 -7.761 5.356 1.00 0.00 H new ATOM 0 HA SER A 642 12.087 -9.981 4.405 1.00 0.00 H new ATOM 0 HB2 SER A 642 9.623 -8.646 3.206 1.00 0.00 H new ATOM 0 HB3 SER A 642 10.116 -10.315 3.003 1.00 0.00 H new ATOM 0 HG SER A 642 8.469 -10.077 4.622 1.00 0.00 H new ATOM 928 N ALA A 643 12.109 -7.283 2.533 1.00 0.00 N ATOM 929 CA ALA A 643 12.722 -6.562 1.397 1.00 0.00 C ATOM 930 C ALA A 643 14.257 -6.655 1.306 1.00 0.00 C ATOM 931 O ALA A 643 14.894 -5.818 0.657 1.00 0.00 O ATOM 932 CB ALA A 643 12.308 -5.101 1.437 1.00 0.00 C ATOM 0 H ALA A 643 11.516 -6.683 3.106 1.00 0.00 H new ATOM 0 HA ALA A 643 12.347 -7.064 0.505 1.00 0.00 H new ATOM 0 HB1 ALA A 643 12.761 -4.571 0.599 1.00 0.00 H new ATOM 0 HB2 ALA A 643 11.223 -5.028 1.368 1.00 0.00 H new ATOM 0 HB3 ALA A 643 12.643 -4.653 2.373 1.00 0.00 H new ATOM 938 N ASN A 644 14.850 -7.653 1.940 1.00 0.00 N ATOM 939 CA ASN A 644 16.296 -7.849 1.908 1.00 0.00 C ATOM 940 C ASN A 644 16.742 -8.258 0.496 1.00 0.00 C ATOM 941 O ASN A 644 17.933 -8.416 0.228 1.00 0.00 O ATOM 942 CB ASN A 644 16.698 -8.941 2.928 1.00 0.00 C ATOM 943 CG ASN A 644 18.202 -9.022 3.169 1.00 0.00 C ATOM 944 OD1 ASN A 644 18.879 -7.876 3.186 1.00 0.00 O flip ATOM 945 ND2 ASN A 644 18.748 -10.111 3.363 1.00 0.00 N flip ATOM 0 H ASN A 644 14.348 -8.350 2.490 1.00 0.00 H new ATOM 0 HA ASN A 644 16.788 -6.913 2.174 1.00 0.00 H new ATOM 0 HB2 ASN A 644 16.196 -8.745 3.875 1.00 0.00 H new ATOM 0 HB3 ASN A 644 16.342 -9.908 2.573 1.00 0.00 H new ATOM 0 HD21 ASN A 644 18.197 -10.969 3.342 1.00 0.00 H new ATOM 0 HD22 ASN A 644 19.751 -10.154 3.544 1.00 0.00 H new ATOM 952 N SER A 645 15.778 -8.398 -0.409 1.00 0.00 N ATOM 953 CA SER A 645 16.063 -8.681 -1.801 1.00 0.00 C ATOM 954 C SER A 645 15.088 -7.916 -2.701 1.00 0.00 C ATOM 955 O SER A 645 13.931 -7.706 -2.325 1.00 0.00 O ATOM 956 CB SER A 645 15.982 -10.185 -2.063 1.00 0.00 C ATOM 957 OG SER A 645 14.727 -10.705 -1.663 1.00 0.00 O ATOM 0 H SER A 645 14.784 -8.318 -0.194 1.00 0.00 H new ATOM 0 HA SER A 645 17.076 -8.351 -2.032 1.00 0.00 H new ATOM 0 HB2 SER A 645 16.139 -10.382 -3.124 1.00 0.00 H new ATOM 0 HB3 SER A 645 16.779 -10.695 -1.523 1.00 0.00 H new ATOM 0 HG SER A 645 14.700 -11.668 -1.842 1.00 0.00 H new ATOM 963 N ARG A 646 15.561 -7.472 -3.858 1.00 0.00 N ATOM 964 CA ARG A 646 14.735 -6.690 -4.783 1.00 0.00 C ATOM 965 C ARG A 646 13.448 -7.426 -5.149 1.00 0.00 C ATOM 966 O ARG A 646 12.351 -6.868 -5.049 1.00 0.00 O ATOM 967 CB ARG A 646 15.523 -6.371 -6.059 1.00 0.00 C ATOM 968 CG ARG A 646 16.704 -5.438 -5.842 1.00 0.00 C ATOM 969 CD ARG A 646 16.256 -4.012 -5.557 1.00 0.00 C ATOM 970 NE ARG A 646 15.564 -3.416 -6.700 1.00 0.00 N ATOM 971 CZ ARG A 646 15.586 -2.114 -6.997 1.00 0.00 C ATOM 972 NH1 ARG A 646 16.273 -1.265 -6.242 1.00 0.00 N ATOM 973 NH2 ARG A 646 14.924 -1.668 -8.056 1.00 0.00 N ATOM 0 H ARG A 646 16.513 -7.638 -4.183 1.00 0.00 H new ATOM 0 HA ARG A 646 14.466 -5.763 -4.277 1.00 0.00 H new ATOM 0 HB2 ARG A 646 15.885 -7.303 -6.492 1.00 0.00 H new ATOM 0 HB3 ARG A 646 14.848 -5.922 -6.787 1.00 0.00 H new ATOM 0 HG2 ARG A 646 17.306 -5.802 -5.010 1.00 0.00 H new ATOM 0 HG3 ARG A 646 17.342 -5.448 -6.726 1.00 0.00 H new ATOM 0 HD2 ARG A 646 15.595 -4.006 -4.690 1.00 0.00 H new ATOM 0 HD3 ARG A 646 17.124 -3.404 -5.301 1.00 0.00 H new ATOM 0 HE ARG A 646 15.030 -4.035 -7.310 1.00 0.00 H new ATOM 0 HH11 ARG A 646 16.788 -1.606 -5.430 1.00 0.00 H new ATOM 0 HH12 ARG A 646 16.286 -0.272 -6.474 1.00 0.00 H new ATOM 0 HH21 ARG A 646 14.400 -2.319 -8.641 1.00 0.00 H new ATOM 0 HH22 ARG A 646 14.939 -0.674 -8.285 1.00 0.00 H new ATOM 987 N ASP A 647 13.588 -8.686 -5.546 1.00 0.00 N ATOM 988 CA ASP A 647 12.453 -9.482 -6.006 1.00 0.00 C ATOM 989 C ASP A 647 11.407 -9.655 -4.910 1.00 0.00 C ATOM 990 O ASP A 647 10.205 -9.566 -5.171 1.00 0.00 O ATOM 991 CB ASP A 647 12.918 -10.854 -6.499 1.00 0.00 C ATOM 992 CG ASP A 647 11.759 -11.731 -6.928 1.00 0.00 C ATOM 993 OD1 ASP A 647 11.195 -11.491 -8.016 1.00 0.00 O ATOM 994 OD2 ASP A 647 11.403 -12.669 -6.181 1.00 0.00 O ATOM 0 H ASP A 647 14.480 -9.181 -5.559 1.00 0.00 H new ATOM 0 HA ASP A 647 11.994 -8.941 -6.833 1.00 0.00 H new ATOM 0 HB2 ASP A 647 13.603 -10.724 -7.337 1.00 0.00 H new ATOM 0 HB3 ASP A 647 13.475 -11.353 -5.706 1.00 0.00 H new ATOM 999 N GLU A 648 11.864 -9.890 -3.686 1.00 0.00 N ATOM 1000 CA GLU A 648 10.952 -10.085 -2.562 1.00 0.00 C ATOM 1001 C GLU A 648 10.082 -8.848 -2.367 1.00 0.00 C ATOM 1002 O GLU A 648 8.864 -8.950 -2.215 1.00 0.00 O ATOM 1003 CB GLU A 648 11.723 -10.378 -1.275 1.00 0.00 C ATOM 1004 CG GLU A 648 10.847 -10.890 -0.140 1.00 0.00 C ATOM 1005 CD GLU A 648 10.285 -12.270 -0.417 1.00 0.00 C ATOM 1006 OE1 GLU A 648 9.332 -12.388 -1.213 1.00 0.00 O ATOM 1007 OE2 GLU A 648 10.792 -13.247 0.169 1.00 0.00 O ATOM 0 H GLU A 648 12.853 -9.950 -3.446 1.00 0.00 H new ATOM 0 HA GLU A 648 10.317 -10.941 -2.790 1.00 0.00 H new ATOM 0 HB2 GLU A 648 12.497 -11.116 -1.486 1.00 0.00 H new ATOM 0 HB3 GLU A 648 12.229 -9.469 -0.950 1.00 0.00 H new ATOM 0 HG2 GLU A 648 11.430 -10.917 0.781 1.00 0.00 H new ATOM 0 HG3 GLU A 648 10.025 -10.193 0.023 1.00 0.00 H new ATOM 1014 N TYR A 649 10.721 -7.683 -2.419 1.00 0.00 N ATOM 1015 CA TYR A 649 10.050 -6.408 -2.168 1.00 0.00 C ATOM 1016 C TYR A 649 8.845 -6.224 -3.093 1.00 0.00 C ATOM 1017 O TYR A 649 7.745 -5.914 -2.633 1.00 0.00 O ATOM 1018 CB TYR A 649 11.046 -5.254 -2.349 1.00 0.00 C ATOM 1019 CG TYR A 649 10.607 -3.923 -1.767 1.00 0.00 C ATOM 1020 CD1 TYR A 649 9.703 -3.846 -0.710 1.00 0.00 C ATOM 1021 CD2 TYR A 649 11.123 -2.737 -2.270 1.00 0.00 C ATOM 1022 CE1 TYR A 649 9.327 -2.626 -0.181 1.00 0.00 C ATOM 1023 CE2 TYR A 649 10.755 -1.514 -1.742 1.00 0.00 C ATOM 1024 CZ TYR A 649 9.858 -1.464 -0.700 1.00 0.00 C ATOM 1025 OH TYR A 649 9.493 -0.248 -0.173 1.00 0.00 O ATOM 0 H TYR A 649 11.714 -7.594 -2.635 1.00 0.00 H new ATOM 0 HA TYR A 649 9.683 -6.408 -1.142 1.00 0.00 H new ATOM 0 HB2 TYR A 649 11.993 -5.538 -1.891 1.00 0.00 H new ATOM 0 HB3 TYR A 649 11.234 -5.122 -3.414 1.00 0.00 H new ATOM 0 HD1 TYR A 649 9.289 -4.754 -0.297 1.00 0.00 H new ATOM 0 HD2 TYR A 649 11.825 -2.770 -3.090 1.00 0.00 H new ATOM 0 HE1 TYR A 649 8.621 -2.583 0.635 1.00 0.00 H new ATOM 0 HE2 TYR A 649 11.170 -0.602 -2.145 1.00 0.00 H new ATOM 0 HH TYR A 649 8.939 0.236 -0.820 1.00 0.00 H new ATOM 1035 N TYR A 650 9.050 -6.436 -4.391 1.00 0.00 N ATOM 1036 CA TYR A 650 8.000 -6.301 -5.376 1.00 0.00 C ATOM 1037 C TYR A 650 6.900 -7.344 -5.181 1.00 0.00 C ATOM 1038 O TYR A 650 5.717 -7.042 -5.340 1.00 0.00 O ATOM 1039 CB TYR A 650 8.614 -6.414 -6.766 1.00 0.00 C ATOM 1040 CG TYR A 650 9.340 -5.163 -7.212 1.00 0.00 C ATOM 1041 CD1 TYR A 650 10.645 -4.907 -6.810 1.00 0.00 C ATOM 1042 CD2 TYR A 650 8.714 -4.238 -8.036 1.00 0.00 C ATOM 1043 CE1 TYR A 650 11.305 -3.763 -7.217 1.00 0.00 C ATOM 1044 CE2 TYR A 650 9.368 -3.092 -8.449 1.00 0.00 C ATOM 1045 CZ TYR A 650 10.662 -2.860 -8.036 1.00 0.00 C ATOM 1046 OH TYR A 650 11.316 -1.722 -8.448 1.00 0.00 O ATOM 0 H TYR A 650 9.953 -6.706 -4.782 1.00 0.00 H new ATOM 0 HA TYR A 650 7.530 -5.325 -5.257 1.00 0.00 H new ATOM 0 HB2 TYR A 650 9.311 -7.252 -6.779 1.00 0.00 H new ATOM 0 HB3 TYR A 650 7.827 -6.643 -7.484 1.00 0.00 H new ATOM 0 HD1 TYR A 650 11.152 -5.613 -6.169 1.00 0.00 H new ATOM 0 HD2 TYR A 650 7.699 -4.416 -8.360 1.00 0.00 H new ATOM 0 HE1 TYR A 650 12.319 -3.578 -6.895 1.00 0.00 H new ATOM 0 HE2 TYR A 650 8.868 -2.383 -9.092 1.00 0.00 H new ATOM 0 HH TYR A 650 10.723 -1.193 -9.021 1.00 0.00 H new ATOM 1056 N HIS A 651 7.295 -8.567 -4.828 1.00 0.00 N ATOM 1057 CA HIS A 651 6.350 -9.674 -4.694 1.00 0.00 C ATOM 1058 C HIS A 651 5.382 -9.422 -3.545 1.00 0.00 C ATOM 1059 O HIS A 651 4.180 -9.666 -3.666 1.00 0.00 O ATOM 1060 CB HIS A 651 7.105 -10.996 -4.481 1.00 0.00 C ATOM 1061 CG HIS A 651 6.254 -12.128 -3.981 1.00 0.00 C ATOM 1062 ND1 HIS A 651 5.280 -12.741 -4.739 1.00 0.00 N ATOM 1063 CD2 HIS A 651 6.234 -12.748 -2.776 1.00 0.00 C ATOM 1064 CE1 HIS A 651 4.697 -13.685 -4.022 1.00 0.00 C ATOM 1065 NE2 HIS A 651 5.257 -13.710 -2.829 1.00 0.00 N ATOM 0 H HIS A 651 8.264 -8.816 -4.630 1.00 0.00 H new ATOM 0 HA HIS A 651 5.772 -9.746 -5.615 1.00 0.00 H new ATOM 0 HB2 HIS A 651 7.564 -11.293 -5.424 1.00 0.00 H new ATOM 0 HB3 HIS A 651 7.915 -10.827 -3.771 1.00 0.00 H new ATOM 0 HD2 HIS A 651 6.869 -12.526 -1.931 1.00 0.00 H new ATOM 0 HE1 HIS A 651 3.896 -14.328 -4.357 1.00 0.00 H new ATOM 0 HE2 HIS A 651 5.005 -14.342 -2.069 1.00 0.00 H new ATOM 1074 N LEU A 652 5.919 -8.936 -2.436 1.00 0.00 N ATOM 1075 CA LEU A 652 5.131 -8.703 -1.234 1.00 0.00 C ATOM 1076 C LEU A 652 4.025 -7.690 -1.496 1.00 0.00 C ATOM 1077 O LEU A 652 2.859 -7.938 -1.189 1.00 0.00 O ATOM 1078 CB LEU A 652 6.036 -8.191 -0.121 1.00 0.00 C ATOM 1079 CG LEU A 652 7.199 -9.108 0.244 1.00 0.00 C ATOM 1080 CD1 LEU A 652 8.143 -8.403 1.197 1.00 0.00 C ATOM 1081 CD2 LEU A 652 6.693 -10.401 0.859 1.00 0.00 C ATOM 0 H LEU A 652 6.905 -8.693 -2.343 1.00 0.00 H new ATOM 0 HA LEU A 652 4.673 -9.646 -0.935 1.00 0.00 H new ATOM 0 HB2 LEU A 652 6.438 -7.222 -0.418 1.00 0.00 H new ATOM 0 HB3 LEU A 652 5.431 -8.026 0.770 1.00 0.00 H new ATOM 0 HG LEU A 652 7.742 -9.355 -0.668 1.00 0.00 H new ATOM 0 HD11 LEU A 652 8.969 -9.068 1.450 1.00 0.00 H new ATOM 0 HD12 LEU A 652 8.534 -7.503 0.722 1.00 0.00 H new ATOM 0 HD13 LEU A 652 7.606 -8.130 2.105 1.00 0.00 H new ATOM 0 HD21 LEU A 652 7.540 -11.040 1.111 1.00 0.00 H new ATOM 0 HD22 LEU A 652 6.126 -10.177 1.762 1.00 0.00 H new ATOM 0 HD23 LEU A 652 6.050 -10.916 0.145 1.00 0.00 H new ATOM 1093 N LEU A 653 4.400 -6.559 -2.076 1.00 0.00 N ATOM 1094 CA LEU A 653 3.445 -5.508 -2.397 1.00 0.00 C ATOM 1095 C LEU A 653 2.407 -6.003 -3.402 1.00 0.00 C ATOM 1096 O LEU A 653 1.209 -5.792 -3.215 1.00 0.00 O ATOM 1097 CB LEU A 653 4.181 -4.277 -2.935 1.00 0.00 C ATOM 1098 CG LEU A 653 4.961 -3.483 -1.881 1.00 0.00 C ATOM 1099 CD1 LEU A 653 6.182 -2.833 -2.501 1.00 0.00 C ATOM 1100 CD2 LEU A 653 4.078 -2.418 -1.251 1.00 0.00 C ATOM 0 H LEU A 653 5.363 -6.345 -2.335 1.00 0.00 H new ATOM 0 HA LEU A 653 2.917 -5.228 -1.485 1.00 0.00 H new ATOM 0 HB2 LEU A 653 4.873 -4.597 -3.714 1.00 0.00 H new ATOM 0 HB3 LEU A 653 3.455 -3.614 -3.405 1.00 0.00 H new ATOM 0 HG LEU A 653 5.284 -4.178 -1.106 1.00 0.00 H new ATOM 0 HD11 LEU A 653 6.723 -2.274 -1.738 1.00 0.00 H new ATOM 0 HD12 LEU A 653 6.832 -3.603 -2.917 1.00 0.00 H new ATOM 0 HD13 LEU A 653 5.869 -2.155 -3.295 1.00 0.00 H new ATOM 0 HD21 LEU A 653 4.650 -1.865 -0.506 1.00 0.00 H new ATOM 0 HD22 LEU A 653 3.729 -1.732 -2.023 1.00 0.00 H new ATOM 0 HD23 LEU A 653 3.221 -2.892 -0.772 1.00 0.00 H new ATOM 1112 N ALA A 654 2.872 -6.686 -4.445 1.00 0.00 N ATOM 1113 CA ALA A 654 1.991 -7.205 -5.488 1.00 0.00 C ATOM 1114 C ALA A 654 0.911 -8.123 -4.915 1.00 0.00 C ATOM 1115 O ALA A 654 -0.272 -7.983 -5.243 1.00 0.00 O ATOM 1116 CB ALA A 654 2.804 -7.948 -6.536 1.00 0.00 C ATOM 0 H ALA A 654 3.860 -6.894 -4.591 1.00 0.00 H new ATOM 0 HA ALA A 654 1.491 -6.354 -5.951 1.00 0.00 H new ATOM 0 HB1 ALA A 654 2.138 -8.331 -7.309 1.00 0.00 H new ATOM 0 HB2 ALA A 654 3.528 -7.268 -6.985 1.00 0.00 H new ATOM 0 HB3 ALA A 654 3.330 -8.779 -6.066 1.00 0.00 H new ATOM 1122 N GLU A 655 1.325 -9.057 -4.063 1.00 0.00 N ATOM 1123 CA GLU A 655 0.386 -10.008 -3.451 1.00 0.00 C ATOM 1124 C GLU A 655 -0.681 -9.274 -2.644 1.00 0.00 C ATOM 1125 O GLU A 655 -1.875 -9.555 -2.768 1.00 0.00 O ATOM 1126 CB GLU A 655 1.103 -11.030 -2.547 1.00 0.00 C ATOM 1127 CG GLU A 655 0.171 -11.708 -1.551 1.00 0.00 C ATOM 1128 CD GLU A 655 0.878 -12.703 -0.658 1.00 0.00 C ATOM 1129 OE1 GLU A 655 0.955 -13.889 -1.033 1.00 0.00 O ATOM 1130 OE2 GLU A 655 1.345 -12.306 0.429 1.00 0.00 O ATOM 0 H GLU A 655 2.297 -9.180 -3.779 1.00 0.00 H new ATOM 0 HA GLU A 655 -0.087 -10.552 -4.269 1.00 0.00 H new ATOM 0 HB2 GLU A 655 1.573 -11.790 -3.171 1.00 0.00 H new ATOM 0 HB3 GLU A 655 1.902 -10.526 -2.003 1.00 0.00 H new ATOM 0 HG2 GLU A 655 -0.305 -10.947 -0.932 1.00 0.00 H new ATOM 0 HG3 GLU A 655 -0.624 -12.218 -2.095 1.00 0.00 H new ATOM 1137 N LYS A 656 -0.245 -8.326 -1.826 1.00 0.00 N ATOM 1138 CA LYS A 656 -1.149 -7.601 -0.943 1.00 0.00 C ATOM 1139 C LYS A 656 -2.146 -6.772 -1.741 1.00 0.00 C ATOM 1140 O LYS A 656 -3.316 -6.675 -1.368 1.00 0.00 O ATOM 1141 CB LYS A 656 -0.372 -6.729 0.042 1.00 0.00 C ATOM 1142 CG LYS A 656 0.646 -7.508 0.862 1.00 0.00 C ATOM 1143 CD LYS A 656 0.029 -8.731 1.526 1.00 0.00 C ATOM 1144 CE LYS A 656 1.090 -9.638 2.134 1.00 0.00 C ATOM 1145 NZ LYS A 656 1.827 -8.986 3.248 1.00 0.00 N ATOM 0 H LYS A 656 0.732 -8.040 -1.755 1.00 0.00 H new ATOM 0 HA LYS A 656 -1.712 -8.335 -0.366 1.00 0.00 H new ATOM 0 HB2 LYS A 656 0.142 -5.941 -0.508 1.00 0.00 H new ATOM 0 HB3 LYS A 656 -1.075 -6.241 0.717 1.00 0.00 H new ATOM 0 HG2 LYS A 656 1.467 -7.821 0.217 1.00 0.00 H new ATOM 0 HG3 LYS A 656 1.071 -6.857 1.626 1.00 0.00 H new ATOM 0 HD2 LYS A 656 -0.665 -8.412 2.303 1.00 0.00 H new ATOM 0 HD3 LYS A 656 -0.550 -9.290 0.791 1.00 0.00 H new ATOM 0 HE2 LYS A 656 0.618 -10.550 2.500 1.00 0.00 H new ATOM 0 HE3 LYS A 656 1.797 -9.934 1.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 656 2.837 -8.926 3.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 656 1.450 -8.029 3.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 656 1.711 -9.547 4.116 1.00 0.00 H new ATOM 1159 N ILE A 657 -1.684 -6.172 -2.835 1.00 0.00 N ATOM 1160 CA ILE A 657 -2.566 -5.415 -3.712 1.00 0.00 C ATOM 1161 C ILE A 657 -3.666 -6.322 -4.266 1.00 0.00 C ATOM 1162 O ILE A 657 -4.836 -5.938 -4.298 1.00 0.00 O ATOM 1163 CB ILE A 657 -1.792 -4.754 -4.881 1.00 0.00 C ATOM 1164 CG1 ILE A 657 -0.774 -3.746 -4.340 1.00 0.00 C ATOM 1165 CG2 ILE A 657 -2.757 -4.067 -5.843 1.00 0.00 C ATOM 1166 CD1 ILE A 657 0.091 -3.117 -5.412 1.00 0.00 C ATOM 0 H ILE A 657 -0.709 -6.196 -3.132 1.00 0.00 H new ATOM 0 HA ILE A 657 -3.013 -4.619 -3.116 1.00 0.00 H new ATOM 0 HB ILE A 657 -1.259 -5.533 -5.426 1.00 0.00 H new ATOM 0 HG12 ILE A 657 -1.305 -2.958 -3.806 1.00 0.00 H new ATOM 0 HG13 ILE A 657 -0.132 -4.246 -3.615 1.00 0.00 H new ATOM 0 HG21 ILE A 657 -2.195 -3.609 -6.657 1.00 0.00 H new ATOM 0 HG22 ILE A 657 -3.450 -4.803 -6.250 1.00 0.00 H new ATOM 0 HG23 ILE A 657 -3.316 -3.298 -5.310 1.00 0.00 H new ATOM 0 HD11 ILE A 657 0.787 -2.415 -4.953 1.00 0.00 H new ATOM 0 HD12 ILE A 657 0.651 -3.895 -5.931 1.00 0.00 H new ATOM 0 HD13 ILE A 657 -0.541 -2.588 -6.125 1.00 0.00 H new ATOM 1178 N TYR A 658 -3.295 -7.534 -4.679 1.00 0.00 N ATOM 1179 CA TYR A 658 -4.284 -8.497 -5.165 1.00 0.00 C ATOM 1180 C TYR A 658 -5.235 -8.883 -4.035 1.00 0.00 C ATOM 1181 O TYR A 658 -6.433 -9.057 -4.264 1.00 0.00 O ATOM 1182 CB TYR A 658 -3.640 -9.751 -5.785 1.00 0.00 C ATOM 1183 CG TYR A 658 -4.594 -10.539 -6.676 1.00 0.00 C ATOM 1184 CD1 TYR A 658 -5.343 -9.896 -7.659 1.00 0.00 C ATOM 1185 CD2 TYR A 658 -4.764 -11.917 -6.526 1.00 0.00 C ATOM 1186 CE1 TYR A 658 -6.223 -10.598 -8.460 1.00 0.00 C ATOM 1187 CE2 TYR A 658 -5.648 -12.618 -7.325 1.00 0.00 C ATOM 1188 CZ TYR A 658 -6.372 -11.955 -8.290 1.00 0.00 C ATOM 1189 OH TYR A 658 -7.256 -12.650 -9.083 1.00 0.00 O ATOM 0 H TYR A 658 -2.332 -7.869 -4.687 1.00 0.00 H new ATOM 0 HA TYR A 658 -4.845 -8.010 -5.963 1.00 0.00 H new ATOM 0 HB2 TYR A 658 -2.770 -9.453 -6.370 1.00 0.00 H new ATOM 0 HB3 TYR A 658 -3.280 -10.399 -4.986 1.00 0.00 H new ATOM 0 HD1 TYR A 658 -5.234 -8.830 -7.797 1.00 0.00 H new ATOM 0 HD2 TYR A 658 -4.196 -12.444 -5.774 1.00 0.00 H new ATOM 0 HE1 TYR A 658 -6.793 -10.082 -9.219 1.00 0.00 H new ATOM 0 HE2 TYR A 658 -5.770 -13.683 -7.192 1.00 0.00 H new ATOM 0 HH TYR A 658 -7.241 -13.598 -8.836 1.00 0.00 H new ATOM 1199 N LYS A 659 -4.704 -9.018 -2.814 1.00 0.00 N ATOM 1200 CA LYS A 659 -5.533 -9.340 -1.659 1.00 0.00 C ATOM 1201 C LYS A 659 -6.625 -8.291 -1.489 1.00 0.00 C ATOM 1202 O LYS A 659 -7.798 -8.621 -1.314 1.00 0.00 O ATOM 1203 CB LYS A 659 -4.689 -9.413 -0.383 1.00 0.00 C ATOM 1204 CG LYS A 659 -3.851 -10.673 -0.258 1.00 0.00 C ATOM 1205 CD LYS A 659 -4.723 -11.902 -0.052 1.00 0.00 C ATOM 1206 CE LYS A 659 -3.888 -13.145 0.208 1.00 0.00 C ATOM 1207 NZ LYS A 659 -3.046 -13.019 1.431 1.00 0.00 N ATOM 0 H LYS A 659 -3.711 -8.909 -2.607 1.00 0.00 H new ATOM 0 HA LYS A 659 -5.989 -10.315 -1.831 1.00 0.00 H new ATOM 0 HB2 LYS A 659 -4.028 -8.547 -0.349 1.00 0.00 H new ATOM 0 HB3 LYS A 659 -5.351 -9.344 0.480 1.00 0.00 H new ATOM 0 HG2 LYS A 659 -3.247 -10.800 -1.156 1.00 0.00 H new ATOM 0 HG3 LYS A 659 -3.160 -10.571 0.579 1.00 0.00 H new ATOM 0 HD2 LYS A 659 -5.397 -11.734 0.788 1.00 0.00 H new ATOM 0 HD3 LYS A 659 -5.345 -12.059 -0.933 1.00 0.00 H new ATOM 0 HE2 LYS A 659 -4.547 -14.007 0.311 1.00 0.00 H new ATOM 0 HE3 LYS A 659 -3.247 -13.335 -0.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 659 -2.724 -13.962 1.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 659 -2.221 -12.421 1.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 659 -3.605 -12.586 2.194 1.00 0.00 H new ATOM 1221 N ILE A 660 -6.222 -7.029 -1.560 1.00 0.00 N ATOM 1222 CA ILE A 660 -7.150 -5.911 -1.451 1.00 0.00 C ATOM 1223 C ILE A 660 -8.151 -5.903 -2.606 1.00 0.00 C ATOM 1224 O ILE A 660 -9.336 -5.625 -2.402 1.00 0.00 O ATOM 1225 CB ILE A 660 -6.395 -4.559 -1.340 1.00 0.00 C ATOM 1226 CG1 ILE A 660 -6.422 -4.085 0.108 1.00 0.00 C ATOM 1227 CG2 ILE A 660 -6.971 -3.480 -2.262 1.00 0.00 C ATOM 1228 CD1 ILE A 660 -5.655 -2.806 0.331 1.00 0.00 C ATOM 0 H ILE A 660 -5.249 -6.753 -1.694 1.00 0.00 H new ATOM 0 HA ILE A 660 -7.718 -6.043 -0.530 1.00 0.00 H new ATOM 0 HB ILE A 660 -5.368 -4.728 -1.663 1.00 0.00 H new ATOM 0 HG12 ILE A 660 -7.457 -3.938 0.416 1.00 0.00 H new ATOM 0 HG13 ILE A 660 -6.007 -4.865 0.746 1.00 0.00 H new ATOM 0 HG21 ILE A 660 -6.403 -2.557 -2.141 1.00 0.00 H new ATOM 0 HG22 ILE A 660 -6.905 -3.813 -3.298 1.00 0.00 H new ATOM 0 HG23 ILE A 660 -8.015 -3.300 -2.004 1.00 0.00 H new ATOM 0 HD11 ILE A 660 -5.715 -2.525 1.382 1.00 0.00 H new ATOM 0 HD12 ILE A 660 -4.611 -2.955 0.054 1.00 0.00 H new ATOM 0 HD13 ILE A 660 -6.084 -2.013 -0.282 1.00 0.00 H new ATOM 1240 N GLN A 661 -7.686 -6.229 -3.809 1.00 0.00 N ATOM 1241 CA GLN A 661 -8.575 -6.257 -4.974 1.00 0.00 C ATOM 1242 C GLN A 661 -9.608 -7.357 -4.802 1.00 0.00 C ATOM 1243 O GLN A 661 -10.786 -7.184 -5.125 1.00 0.00 O ATOM 1244 CB GLN A 661 -7.811 -6.464 -6.292 1.00 0.00 C ATOM 1245 CG GLN A 661 -6.925 -5.287 -6.690 1.00 0.00 C ATOM 1246 CD GLN A 661 -6.225 -5.523 -8.010 1.00 0.00 C ATOM 1247 OE1 GLN A 661 -5.909 -6.659 -8.365 1.00 0.00 O ATOM 1248 NE2 GLN A 661 -5.991 -4.456 -8.754 1.00 0.00 N ATOM 0 H GLN A 661 -6.715 -6.474 -4.005 1.00 0.00 H new ATOM 0 HA GLN A 661 -9.065 -5.285 -5.033 1.00 0.00 H new ATOM 0 HB2 GLN A 661 -7.192 -7.357 -6.205 1.00 0.00 H new ATOM 0 HB3 GLN A 661 -8.529 -6.651 -7.090 1.00 0.00 H new ATOM 0 HG2 GLN A 661 -7.532 -4.384 -6.758 1.00 0.00 H new ATOM 0 HG3 GLN A 661 -6.182 -5.114 -5.912 1.00 0.00 H new ATOM 0 HE21 GLN A 661 -6.269 -3.532 -8.423 1.00 0.00 H new ATOM 0 HE22 GLN A 661 -5.532 -4.556 -9.660 1.00 0.00 H new ATOM 1257 N LYS A 662 -9.152 -8.486 -4.276 1.00 0.00 N ATOM 1258 CA LYS A 662 -10.005 -9.634 -4.056 1.00 0.00 C ATOM 1259 C LYS A 662 -11.059 -9.308 -3.002 1.00 0.00 C ATOM 1260 O LYS A 662 -12.210 -9.707 -3.129 1.00 0.00 O ATOM 1261 CB LYS A 662 -9.176 -10.845 -3.624 1.00 0.00 C ATOM 1262 CG LYS A 662 -9.810 -12.176 -3.992 1.00 0.00 C ATOM 1263 CD LYS A 662 -9.769 -12.414 -5.493 1.00 0.00 C ATOM 1264 CE LYS A 662 -10.390 -13.750 -5.871 1.00 0.00 C ATOM 1265 NZ LYS A 662 -11.864 -13.764 -5.666 1.00 0.00 N ATOM 0 H LYS A 662 -8.182 -8.626 -3.992 1.00 0.00 H new ATOM 0 HA LYS A 662 -10.507 -9.879 -4.992 1.00 0.00 H new ATOM 0 HB2 LYS A 662 -8.189 -10.782 -4.083 1.00 0.00 H new ATOM 0 HB3 LYS A 662 -9.028 -10.808 -2.545 1.00 0.00 H new ATOM 0 HG2 LYS A 662 -9.287 -12.984 -3.480 1.00 0.00 H new ATOM 0 HG3 LYS A 662 -10.844 -12.196 -3.647 1.00 0.00 H new ATOM 0 HD2 LYS A 662 -10.299 -11.610 -6.003 1.00 0.00 H new ATOM 0 HD3 LYS A 662 -8.735 -12.383 -5.838 1.00 0.00 H new ATOM 0 HE2 LYS A 662 -10.168 -13.969 -6.915 1.00 0.00 H new ATOM 0 HE3 LYS A 662 -9.935 -14.542 -5.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 662 -12.243 -14.694 -5.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 662 -12.077 -13.581 -4.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 662 -12.303 -13.027 -6.253 1.00 0.00 H new ATOM 1279 N GLU A 663 -10.648 -8.578 -1.965 1.00 0.00 N ATOM 1280 CA GLU A 663 -11.560 -8.141 -0.907 1.00 0.00 C ATOM 1281 C GLU A 663 -12.724 -7.343 -1.483 1.00 0.00 C ATOM 1282 O GLU A 663 -13.887 -7.607 -1.174 1.00 0.00 O ATOM 1283 CB GLU A 663 -10.818 -7.274 0.114 1.00 0.00 C ATOM 1284 CG GLU A 663 -9.869 -8.048 1.009 1.00 0.00 C ATOM 1285 CD GLU A 663 -10.593 -9.017 1.916 1.00 0.00 C ATOM 1286 OE1 GLU A 663 -11.098 -8.579 2.969 1.00 0.00 O ATOM 1287 OE2 GLU A 663 -10.661 -10.219 1.584 1.00 0.00 O ATOM 0 H GLU A 663 -9.683 -8.275 -1.835 1.00 0.00 H new ATOM 0 HA GLU A 663 -11.948 -9.034 -0.417 1.00 0.00 H new ATOM 0 HB2 GLU A 663 -10.255 -6.507 -0.418 1.00 0.00 H new ATOM 0 HB3 GLU A 663 -11.549 -6.759 0.737 1.00 0.00 H new ATOM 0 HG2 GLU A 663 -9.157 -8.595 0.392 1.00 0.00 H new ATOM 0 HG3 GLU A 663 -9.293 -7.348 1.615 1.00 0.00 H new ATOM 1294 N LEU A 664 -12.396 -6.367 -2.324 1.00 0.00 N ATOM 1295 CA LEU A 664 -13.403 -5.530 -2.967 1.00 0.00 C ATOM 1296 C LEU A 664 -14.329 -6.381 -3.824 1.00 0.00 C ATOM 1297 O LEU A 664 -15.548 -6.206 -3.815 1.00 0.00 O ATOM 1298 CB LEU A 664 -12.725 -4.465 -3.833 1.00 0.00 C ATOM 1299 CG LEU A 664 -11.746 -3.551 -3.094 1.00 0.00 C ATOM 1300 CD1 LEU A 664 -11.066 -2.603 -4.068 1.00 0.00 C ATOM 1301 CD2 LEU A 664 -12.461 -2.771 -2.004 1.00 0.00 C ATOM 0 H LEU A 664 -11.435 -6.136 -2.577 1.00 0.00 H new ATOM 0 HA LEU A 664 -13.993 -5.038 -2.193 1.00 0.00 H new ATOM 0 HB2 LEU A 664 -12.191 -4.963 -4.642 1.00 0.00 H new ATOM 0 HB3 LEU A 664 -13.497 -3.848 -4.293 1.00 0.00 H new ATOM 0 HG LEU A 664 -10.982 -4.172 -2.626 1.00 0.00 H new ATOM 0 HD11 LEU A 664 -10.373 -1.960 -3.526 1.00 0.00 H new ATOM 0 HD12 LEU A 664 -10.519 -3.179 -4.814 1.00 0.00 H new ATOM 0 HD13 LEU A 664 -11.818 -1.989 -4.564 1.00 0.00 H new ATOM 0 HD21 LEU A 664 -11.748 -2.127 -1.490 1.00 0.00 H new ATOM 0 HD22 LEU A 664 -13.246 -2.160 -2.449 1.00 0.00 H new ATOM 0 HD23 LEU A 664 -12.903 -3.466 -1.290 1.00 0.00 H new ATOM 1313 N GLU A 665 -13.729 -7.315 -4.542 1.00 0.00 N ATOM 1314 CA GLU A 665 -14.458 -8.220 -5.414 1.00 0.00 C ATOM 1315 C GLU A 665 -15.393 -9.117 -4.604 1.00 0.00 C ATOM 1316 O GLU A 665 -16.583 -9.213 -4.894 1.00 0.00 O ATOM 1317 CB GLU A 665 -13.448 -9.066 -6.190 1.00 0.00 C ATOM 1318 CG GLU A 665 -14.059 -10.048 -7.169 1.00 0.00 C ATOM 1319 CD GLU A 665 -13.000 -10.874 -7.865 1.00 0.00 C ATOM 1320 OE1 GLU A 665 -12.312 -10.332 -8.756 1.00 0.00 O ATOM 1321 OE2 GLU A 665 -12.843 -12.065 -7.520 1.00 0.00 O ATOM 0 H GLU A 665 -12.720 -7.467 -4.537 1.00 0.00 H new ATOM 0 HA GLU A 665 -15.071 -7.644 -6.107 1.00 0.00 H new ATOM 0 HB2 GLU A 665 -12.780 -8.399 -6.735 1.00 0.00 H new ATOM 0 HB3 GLU A 665 -12.835 -9.619 -5.478 1.00 0.00 H new ATOM 0 HG2 GLU A 665 -14.747 -10.708 -6.641 1.00 0.00 H new ATOM 0 HG3 GLU A 665 -14.644 -9.506 -7.912 1.00 0.00 H new ATOM 1328 N GLU A 666 -14.839 -9.738 -3.569 1.00 0.00 N ATOM 1329 CA GLU A 666 -15.564 -10.691 -2.736 1.00 0.00 C ATOM 1330 C GLU A 666 -16.794 -10.058 -2.085 1.00 0.00 C ATOM 1331 O GLU A 666 -17.900 -10.599 -2.175 1.00 0.00 O ATOM 1332 CB GLU A 666 -14.621 -11.234 -1.657 1.00 0.00 C ATOM 1333 CG GLU A 666 -15.222 -12.326 -0.788 1.00 0.00 C ATOM 1334 CD GLU A 666 -15.592 -13.566 -1.573 1.00 0.00 C ATOM 1335 OE1 GLU A 666 -14.690 -14.197 -2.161 1.00 0.00 O ATOM 1336 OE2 GLU A 666 -16.788 -13.917 -1.602 1.00 0.00 O ATOM 0 H GLU A 666 -13.871 -9.594 -3.283 1.00 0.00 H new ATOM 0 HA GLU A 666 -15.915 -11.503 -3.373 1.00 0.00 H new ATOM 0 HB2 GLU A 666 -13.724 -11.623 -2.138 1.00 0.00 H new ATOM 0 HB3 GLU A 666 -14.308 -10.409 -1.017 1.00 0.00 H new ATOM 0 HG2 GLU A 666 -14.510 -12.595 -0.007 1.00 0.00 H new ATOM 0 HG3 GLU A 666 -16.111 -11.939 -0.290 1.00 0.00 H new ATOM 1531 N LEU B 845 -5.320 -6.716 4.124 1.00 0.00 N ATOM 1532 CA LEU B 845 -5.458 -5.381 4.688 1.00 0.00 C ATOM 1533 C LEU B 845 -6.853 -5.172 5.283 1.00 0.00 C ATOM 1534 O LEU B 845 -7.829 -5.767 4.818 1.00 0.00 O ATOM 1535 CB LEU B 845 -5.140 -4.308 3.636 1.00 0.00 C ATOM 1536 CG LEU B 845 -3.684 -4.286 3.142 1.00 0.00 C ATOM 1537 CD1 LEU B 845 -3.489 -5.216 1.951 1.00 0.00 C ATOM 1538 CD2 LEU B 845 -3.249 -2.870 2.792 1.00 0.00 C ATOM 0 HA LEU B 845 -4.736 -5.284 5.498 1.00 0.00 H new ATOM 0 HB2 LEU B 845 -5.796 -4.458 2.778 1.00 0.00 H new ATOM 0 HB3 LEU B 845 -5.380 -3.330 4.054 1.00 0.00 H new ATOM 0 HG LEU B 845 -3.055 -4.646 3.956 1.00 0.00 H new ATOM 0 HD11 LEU B 845 -2.449 -5.178 1.626 1.00 0.00 H new ATOM 0 HD12 LEU B 845 -3.741 -6.236 2.241 1.00 0.00 H new ATOM 0 HD13 LEU B 845 -4.137 -4.901 1.133 1.00 0.00 H new ATOM 0 HD21 LEU B 845 -2.216 -2.882 2.445 1.00 0.00 H new ATOM 0 HD22 LEU B 845 -3.891 -2.476 2.004 1.00 0.00 H new ATOM 0 HD23 LEU B 845 -3.328 -2.236 3.675 1.00 0.00 H new ATOM 1550 N PRO B 846 -6.934 -4.334 6.340 1.00 0.00 N ATOM 1551 CA PRO B 846 -8.170 -4.051 7.089 1.00 0.00 C ATOM 1552 C PRO B 846 -9.406 -3.849 6.217 1.00 0.00 C ATOM 1553 O PRO B 846 -9.405 -3.062 5.266 1.00 0.00 O ATOM 1554 CB PRO B 846 -7.830 -2.757 7.817 1.00 0.00 C ATOM 1555 CG PRO B 846 -6.374 -2.861 8.083 1.00 0.00 C ATOM 1556 CD PRO B 846 -5.790 -3.592 6.904 1.00 0.00 C ATOM 0 HA PRO B 846 -8.439 -4.891 7.729 1.00 0.00 H new ATOM 0 HB2 PRO B 846 -8.062 -1.884 7.207 1.00 0.00 H new ATOM 0 HB3 PRO B 846 -8.398 -2.659 8.742 1.00 0.00 H new ATOM 0 HG2 PRO B 846 -5.925 -1.874 8.192 1.00 0.00 H new ATOM 0 HG3 PRO B 846 -6.184 -3.401 9.011 1.00 0.00 H new ATOM 0 HD2 PRO B 846 -5.365 -2.900 6.176 1.00 0.00 H new ATOM 0 HD3 PRO B 846 -4.989 -4.265 7.209 1.00 0.00 H new ATOM 1564 N SER B 847 -10.465 -4.561 6.586 1.00 0.00 N ATOM 1565 CA SER B 847 -11.737 -4.520 5.886 1.00 0.00 C ATOM 1566 C SER B 847 -12.339 -3.114 5.899 1.00 0.00 C ATOM 1567 O SER B 847 -12.907 -2.662 4.903 1.00 0.00 O ATOM 1568 CB SER B 847 -12.706 -5.506 6.537 1.00 0.00 C ATOM 1569 OG SER B 847 -12.163 -6.817 6.560 1.00 0.00 O ATOM 0 H SER B 847 -10.461 -5.189 7.390 1.00 0.00 H new ATOM 0 HA SER B 847 -11.565 -4.799 4.846 1.00 0.00 H new ATOM 0 HB2 SER B 847 -12.929 -5.184 7.554 1.00 0.00 H new ATOM 0 HB3 SER B 847 -13.649 -5.509 5.990 1.00 0.00 H new ATOM 0 HG SER B 847 -12.802 -7.428 6.983 1.00 0.00 H new ATOM 1575 N ASP B 848 -12.203 -2.434 7.035 1.00 0.00 N ATOM 1576 CA ASP B 848 -12.821 -1.136 7.256 1.00 0.00 C ATOM 1577 C ASP B 848 -12.301 -0.068 6.288 1.00 0.00 C ATOM 1578 O ASP B 848 -13.078 0.749 5.797 1.00 0.00 O ATOM 1579 CB ASP B 848 -12.612 -0.698 8.707 1.00 0.00 C ATOM 1580 CG ASP B 848 -11.152 -0.557 9.091 1.00 0.00 C ATOM 1581 OD1 ASP B 848 -10.452 -1.588 9.164 1.00 0.00 O ATOM 1582 OD2 ASP B 848 -10.709 0.583 9.349 1.00 0.00 O ATOM 0 H ASP B 848 -11.659 -2.772 7.829 1.00 0.00 H new ATOM 0 HA ASP B 848 -13.888 -1.244 7.061 1.00 0.00 H new ATOM 0 HB2 ASP B 848 -13.115 0.256 8.867 1.00 0.00 H new ATOM 0 HB3 ASP B 848 -13.085 -1.423 9.369 1.00 0.00 H new ATOM 1587 N ILE B 849 -10.997 -0.069 6.009 1.00 0.00 N ATOM 1588 CA ILE B 849 -10.434 0.900 5.065 1.00 0.00 C ATOM 1589 C ILE B 849 -11.029 0.669 3.678 1.00 0.00 C ATOM 1590 O ILE B 849 -11.406 1.612 2.982 1.00 0.00 O ATOM 1591 CB ILE B 849 -8.885 0.826 4.984 1.00 0.00 C ATOM 1592 CG1 ILE B 849 -8.264 0.920 6.386 1.00 0.00 C ATOM 1593 CG2 ILE B 849 -8.345 1.942 4.090 1.00 0.00 C ATOM 1594 CD1 ILE B 849 -8.506 2.244 7.090 1.00 0.00 C ATOM 0 H ILE B 849 -10.321 -0.716 6.414 1.00 0.00 H new ATOM 0 HA ILE B 849 -10.692 1.894 5.430 1.00 0.00 H new ATOM 0 HB ILE B 849 -8.610 -0.135 4.549 1.00 0.00 H new ATOM 0 HG12 ILE B 849 -8.665 0.116 7.003 1.00 0.00 H new ATOM 0 HG13 ILE B 849 -7.189 0.755 6.306 1.00 0.00 H new ATOM 0 HG21 ILE B 849 -7.258 1.877 4.043 1.00 0.00 H new ATOM 0 HG22 ILE B 849 -8.758 1.837 3.087 1.00 0.00 H new ATOM 0 HG23 ILE B 849 -8.633 2.909 4.501 1.00 0.00 H new ATOM 0 HD11 ILE B 849 -8.034 2.225 8.072 1.00 0.00 H new ATOM 0 HD12 ILE B 849 -8.080 3.054 6.498 1.00 0.00 H new ATOM 0 HD13 ILE B 849 -9.578 2.404 7.205 1.00 0.00 H new ATOM 1606 N MET B 850 -11.116 -0.601 3.298 1.00 0.00 N ATOM 1607 CA MET B 850 -11.746 -1.005 2.050 1.00 0.00 C ATOM 1608 C MET B 850 -13.203 -0.556 2.003 1.00 0.00 C ATOM 1609 O MET B 850 -13.716 -0.186 0.954 1.00 0.00 O ATOM 1610 CB MET B 850 -11.671 -2.534 1.883 1.00 0.00 C ATOM 1611 CG MET B 850 -10.306 -3.131 2.206 1.00 0.00 C ATOM 1612 SD MET B 850 -8.935 -2.141 1.585 1.00 0.00 S ATOM 1613 CE MET B 850 -9.414 -1.944 -0.125 1.00 0.00 C ATOM 0 H MET B 850 -10.751 -1.379 3.848 1.00 0.00 H new ATOM 0 HA MET B 850 -11.207 -0.526 1.233 1.00 0.00 H new ATOM 0 HB2 MET B 850 -12.419 -2.996 2.527 1.00 0.00 H new ATOM 0 HB3 MET B 850 -11.933 -2.790 0.856 1.00 0.00 H new ATOM 0 HG2 MET B 850 -10.209 -3.237 3.287 1.00 0.00 H new ATOM 0 HG3 MET B 850 -10.245 -4.133 1.781 1.00 0.00 H new ATOM 0 HE1 MET B 850 -8.525 -1.783 -0.736 1.00 0.00 H new ATOM 0 HE2 MET B 850 -9.930 -2.842 -0.464 1.00 0.00 H new ATOM 0 HE3 MET B 850 -10.080 -1.086 -0.220 1.00 0.00 H new