USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=21 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 631 TYR OH : rot 130:sc= 0.88 USER MOD Set 1.2: A 656 LYS NZ :NH3+ 156:sc= 1.31 (180deg=-0.406) USER MOD Single : A 594 HIS :FLIP no HD1:sc= -0.0412 F(o=-0.76,f=-0.041) USER MOD Single : A 596 THR OG1 : rot 180:sc= -0.178 USER MOD Single : A 597 GLN : amide:sc= -0.163 K(o=-0.16,f=-1.2) USER MOD Single : A 601 SER OG : rot -10:sc= 0.13 USER MOD Single : A 602 HIS : no HD1:sc= 0 X(o=0,f=-0.0098) USER MOD Single : A 605 HIS : no HD1:sc= -0.302 X(o=-0.3,f=0.069) USER MOD Single : A 606 LYS NZ :NH3+ -160:sc= -0.0976 (180deg=-0.506) USER MOD Single : A 609 GLN : amide:sc= 0.078 X(o=0.078,f=-0.067) USER MOD Single : A 614 THR OG1 : rot 45:sc= 0.316 USER MOD Single : A 621 LYS NZ :NH3+ -159:sc= 1.23 (180deg=0.838) USER MOD Single : A 625 MET CE :methyl 180:sc= -0.341 (180deg=-0.341) USER MOD Single : A 627 ASN :FLIP amide:sc= -0.0692 F(o=-2.1!,f=-0.069) USER MOD Single : A 633 LYS NZ :NH3+ 151:sc= -2.32 (180deg=-4.58!) USER MOD Single : A 634 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 639 MET CE :methyl 161:sc= -0.0702 (180deg=-0.761) USER MOD Single : A 640 TYR OH : rot 180:sc= 0 USER MOD Single : A 642 SER OG : rot 180:sc= -0.0367 USER MOD Single : A 644 ASN :FLIP amide:sc= -0.0568 F(o=-1,f=-0.057) USER MOD Single : A 645 SER OG : rot 180:sc= -0.309 USER MOD Single : A 649 TYR OH : rot 90:sc= 0 USER MOD Single : A 650 TYR OH : rot 180:sc= -1.56! USER MOD Single : A 651 HIS : no HD1:sc= -0.205 X(o=-0.21,f=0.046) 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 X(o=0,f=-0.43) USER MOD Single : A 662 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0599) USER MOD Single : B 847 SER OG : rot 180:sc= 0 USER MOD Single : B 850 MET CE :methyl 155:sc= -2.29! (180deg=-4.85!) USER MOD ----------------------------------------------------------------- ATOM 134 N HIS A 594 20.960 -1.362 -3.737 1.00 0.00 N ATOM 135 CA HIS A 594 20.249 -1.643 -4.992 1.00 0.00 C ATOM 136 C HIS A 594 18.792 -1.164 -4.984 1.00 0.00 C ATOM 137 O HIS A 594 18.028 -1.517 -5.879 1.00 0.00 O ATOM 138 CB HIS A 594 20.299 -3.148 -5.338 1.00 0.00 C ATOM 139 CG HIS A 594 19.593 -4.053 -4.361 1.00 0.00 C ATOM 140 ND1 HIS A 594 19.081 -3.815 -3.128 1.00 0.00 N flip ATOM 141 CD2 HIS A 594 19.366 -5.391 -4.607 1.00 0.00 C flip ATOM 142 CE1 HIS A 594 18.564 -4.996 -2.659 1.00 0.00 C flip ATOM 143 NE2 HIS A 594 18.748 -5.929 -3.573 1.00 0.00 N flip ATOM 0 HA HIS A 594 20.773 -1.074 -5.760 1.00 0.00 H new ATOM 0 HB2 HIS A 594 19.860 -3.293 -6.325 1.00 0.00 H new ATOM 0 HB3 HIS A 594 21.343 -3.455 -5.405 1.00 0.00 H new ATOM 0 HD2 HIS A 594 19.650 -5.917 -5.507 1.00 0.00 H new ATOM 0 HE1 HIS A 594 18.086 -5.138 -1.701 1.00 0.00 H new ATOM 0 HE2 HIS A 594 18.460 -6.904 -3.494 1.00 0.00 H new ATOM 152 N VAL A 595 18.385 -0.399 -3.975 1.00 0.00 N ATOM 153 CA VAL A 595 17.040 0.168 -3.958 1.00 0.00 C ATOM 154 C VAL A 595 17.082 1.671 -3.700 1.00 0.00 C ATOM 155 O VAL A 595 17.765 2.136 -2.787 1.00 0.00 O ATOM 156 CB VAL A 595 16.165 -0.515 -2.882 1.00 0.00 C ATOM 157 CG1 VAL A 595 14.873 0.260 -2.638 1.00 0.00 C ATOM 158 CG2 VAL A 595 15.853 -1.950 -3.274 1.00 0.00 C ATOM 0 H VAL A 595 18.960 -0.159 -3.167 1.00 0.00 H new ATOM 0 HA VAL A 595 16.600 -0.010 -4.939 1.00 0.00 H new ATOM 0 HB VAL A 595 16.734 -0.521 -1.952 1.00 0.00 H new ATOM 0 HG11 VAL A 595 14.282 -0.248 -1.876 1.00 0.00 H new ATOM 0 HG12 VAL A 595 15.112 1.268 -2.299 1.00 0.00 H new ATOM 0 HG13 VAL A 595 14.301 0.314 -3.564 1.00 0.00 H new ATOM 0 HG21 VAL A 595 15.236 -2.412 -2.503 1.00 0.00 H new ATOM 0 HG22 VAL A 595 15.316 -1.960 -4.222 1.00 0.00 H new ATOM 0 HG23 VAL A 595 16.783 -2.509 -3.378 1.00 0.00 H new ATOM 168 N THR A 596 16.366 2.427 -4.519 1.00 0.00 N ATOM 169 CA THR A 596 16.251 3.866 -4.332 1.00 0.00 C ATOM 170 C THR A 596 14.979 4.241 -3.562 1.00 0.00 C ATOM 171 O THR A 596 14.036 3.450 -3.476 1.00 0.00 O ATOM 172 CB THR A 596 16.298 4.600 -5.692 1.00 0.00 C ATOM 173 OG1 THR A 596 16.061 6.005 -5.527 1.00 0.00 O ATOM 174 CG2 THR A 596 15.286 4.016 -6.666 1.00 0.00 C ATOM 0 H THR A 596 15.853 2.066 -5.323 1.00 0.00 H new ATOM 0 HA THR A 596 17.104 4.185 -3.733 1.00 0.00 H new ATOM 0 HB THR A 596 17.298 4.460 -6.103 1.00 0.00 H new ATOM 0 HG1 THR A 596 16.097 6.448 -6.401 1.00 0.00 H new ATOM 0 HG21 THR A 596 15.342 4.552 -7.614 1.00 0.00 H new ATOM 0 HG22 THR A 596 15.507 2.962 -6.832 1.00 0.00 H new ATOM 0 HG23 THR A 596 14.283 4.115 -6.252 1.00 0.00 H new ATOM 182 N GLN A 597 14.959 5.453 -3.016 1.00 0.00 N ATOM 183 CA GLN A 597 13.814 5.956 -2.261 1.00 0.00 C ATOM 184 C GLN A 597 12.589 6.091 -3.170 1.00 0.00 C ATOM 185 O GLN A 597 11.465 5.783 -2.767 1.00 0.00 O ATOM 186 CB GLN A 597 14.170 7.304 -1.622 1.00 0.00 C ATOM 187 CG GLN A 597 13.048 7.938 -0.810 1.00 0.00 C ATOM 188 CD GLN A 597 12.593 7.083 0.360 1.00 0.00 C ATOM 189 OE1 GLN A 597 13.362 6.305 0.923 1.00 0.00 O ATOM 190 NE2 GLN A 597 11.336 7.244 0.746 1.00 0.00 N ATOM 0 H GLN A 597 15.733 6.113 -3.084 1.00 0.00 H new ATOM 0 HA GLN A 597 13.568 5.247 -1.471 1.00 0.00 H new ATOM 0 HB2 GLN A 597 15.036 7.167 -0.975 1.00 0.00 H new ATOM 0 HB3 GLN A 597 14.467 7.997 -2.409 1.00 0.00 H new ATOM 0 HG2 GLN A 597 13.383 8.905 -0.435 1.00 0.00 H new ATOM 0 HG3 GLN A 597 12.197 8.127 -1.465 1.00 0.00 H new ATOM 0 HE21 GLN A 597 10.731 7.900 0.252 1.00 0.00 H new ATOM 0 HE22 GLN A 597 10.973 6.712 1.537 1.00 0.00 H new ATOM 199 N ASP A 598 12.826 6.553 -4.398 1.00 0.00 N ATOM 200 CA ASP A 598 11.761 6.687 -5.399 1.00 0.00 C ATOM 201 C ASP A 598 11.054 5.356 -5.621 1.00 0.00 C ATOM 202 O ASP A 598 9.834 5.311 -5.795 1.00 0.00 O ATOM 203 CB ASP A 598 12.309 7.212 -6.730 1.00 0.00 C ATOM 204 CG ASP A 598 11.247 7.259 -7.815 1.00 0.00 C ATOM 205 OD1 ASP A 598 10.521 8.274 -7.901 1.00 0.00 O ATOM 206 OD2 ASP A 598 11.138 6.282 -8.588 1.00 0.00 O ATOM 0 H ASP A 598 13.747 6.842 -4.726 1.00 0.00 H new ATOM 0 HA ASP A 598 11.042 7.410 -5.013 1.00 0.00 H new ATOM 0 HB2 ASP A 598 12.718 8.211 -6.582 1.00 0.00 H new ATOM 0 HB3 ASP A 598 13.131 6.576 -7.058 1.00 0.00 H new ATOM 211 N LEU A 599 11.830 4.275 -5.621 1.00 0.00 N ATOM 212 CA LEU A 599 11.285 2.936 -5.776 1.00 0.00 C ATOM 213 C LEU A 599 10.205 2.687 -4.730 1.00 0.00 C ATOM 214 O LEU A 599 9.117 2.206 -5.049 1.00 0.00 O ATOM 215 CB LEU A 599 12.402 1.890 -5.641 1.00 0.00 C ATOM 216 CG LEU A 599 12.073 0.517 -6.215 1.00 0.00 C ATOM 217 CD1 LEU A 599 12.017 0.598 -7.726 1.00 0.00 C ATOM 218 CD2 LEU A 599 13.096 -0.511 -5.771 1.00 0.00 C ATOM 0 H LEU A 599 12.844 4.305 -5.514 1.00 0.00 H new ATOM 0 HA LEU A 599 10.842 2.850 -6.768 1.00 0.00 H new ATOM 0 HB2 LEU A 599 13.296 2.269 -6.136 1.00 0.00 H new ATOM 0 HB3 LEU A 599 12.647 1.776 -4.585 1.00 0.00 H new ATOM 0 HG LEU A 599 11.099 0.201 -5.840 1.00 0.00 H new ATOM 0 HD11 LEU A 599 11.782 -0.385 -8.135 1.00 0.00 H new ATOM 0 HD12 LEU A 599 11.246 1.309 -8.024 1.00 0.00 H new ATOM 0 HD13 LEU A 599 12.983 0.928 -8.109 1.00 0.00 H new ATOM 0 HD21 LEU A 599 12.841 -1.483 -6.192 1.00 0.00 H new ATOM 0 HD22 LEU A 599 14.085 -0.213 -6.118 1.00 0.00 H new ATOM 0 HD23 LEU A 599 13.098 -0.576 -4.683 1.00 0.00 H new ATOM 230 N ARG A 600 10.509 3.060 -3.491 1.00 0.00 N ATOM 231 CA ARG A 600 9.585 2.894 -2.372 1.00 0.00 C ATOM 232 C ARG A 600 8.329 3.742 -2.557 1.00 0.00 C ATOM 233 O ARG A 600 7.210 3.245 -2.440 1.00 0.00 O ATOM 234 CB ARG A 600 10.271 3.291 -1.061 1.00 0.00 C ATOM 235 CG ARG A 600 11.525 2.492 -0.754 1.00 0.00 C ATOM 236 CD ARG A 600 12.273 3.067 0.439 1.00 0.00 C ATOM 237 NE ARG A 600 11.492 3.002 1.675 1.00 0.00 N ATOM 238 CZ ARG A 600 12.016 3.154 2.893 1.00 0.00 C ATOM 239 NH1 ARG A 600 13.306 3.435 3.039 1.00 0.00 N ATOM 240 NH2 ARG A 600 11.247 3.041 3.966 1.00 0.00 N ATOM 0 H ARG A 600 11.400 3.485 -3.234 1.00 0.00 H new ATOM 0 HA ARG A 600 9.294 1.844 -2.336 1.00 0.00 H new ATOM 0 HB2 ARG A 600 10.528 4.349 -1.103 1.00 0.00 H new ATOM 0 HB3 ARG A 600 9.564 3.167 -0.241 1.00 0.00 H new ATOM 0 HG2 ARG A 600 11.257 1.455 -0.551 1.00 0.00 H new ATOM 0 HG3 ARG A 600 12.178 2.488 -1.627 1.00 0.00 H new ATOM 0 HD2 ARG A 600 13.207 2.522 0.575 1.00 0.00 H new ATOM 0 HD3 ARG A 600 12.536 4.105 0.233 1.00 0.00 H new ATOM 0 HE ARG A 600 10.489 2.831 1.601 1.00 0.00 H new ATOM 0 HH11 ARG A 600 13.902 3.536 2.218 1.00 0.00 H new ATOM 0 HH12 ARG A 600 13.700 3.550 3.973 1.00 0.00 H new ATOM 0 HH21 ARG A 600 10.253 2.838 3.862 1.00 0.00 H new ATOM 0 HH22 ARG A 600 11.649 3.157 4.896 1.00 0.00 H new ATOM 254 N SER A 601 8.521 5.020 -2.866 1.00 0.00 N ATOM 255 CA SER A 601 7.415 5.968 -2.930 1.00 0.00 C ATOM 256 C SER A 601 6.437 5.615 -4.049 1.00 0.00 C ATOM 257 O SER A 601 5.219 5.723 -3.875 1.00 0.00 O ATOM 258 CB SER A 601 7.947 7.391 -3.107 1.00 0.00 C ATOM 259 OG SER A 601 8.805 7.486 -4.231 1.00 0.00 O ATOM 0 H SER A 601 9.434 5.424 -3.076 1.00 0.00 H new ATOM 0 HA SER A 601 6.869 5.910 -1.988 1.00 0.00 H new ATOM 0 HB2 SER A 601 7.112 8.081 -3.226 1.00 0.00 H new ATOM 0 HB3 SER A 601 8.486 7.694 -2.209 1.00 0.00 H new ATOM 0 HG SER A 601 9.000 6.588 -4.571 1.00 0.00 H new ATOM 265 N HIS A 602 6.972 5.198 -5.193 1.00 0.00 N ATOM 266 CA HIS A 602 6.138 4.810 -6.334 1.00 0.00 C ATOM 267 C HIS A 602 5.190 3.678 -5.939 1.00 0.00 C ATOM 268 O HIS A 602 4.009 3.687 -6.289 1.00 0.00 O ATOM 269 CB HIS A 602 6.998 4.371 -7.527 1.00 0.00 C ATOM 270 CG HIS A 602 6.225 4.256 -8.806 1.00 0.00 C ATOM 271 ND1 HIS A 602 5.974 3.054 -9.428 1.00 0.00 N ATOM 272 CD2 HIS A 602 5.644 5.203 -9.577 1.00 0.00 C ATOM 273 CE1 HIS A 602 5.273 3.267 -10.524 1.00 0.00 C ATOM 274 NE2 HIS A 602 5.057 4.562 -10.639 1.00 0.00 N ATOM 0 H HIS A 602 7.976 5.119 -5.358 1.00 0.00 H new ATOM 0 HA HIS A 602 5.555 5.682 -6.631 1.00 0.00 H new ATOM 0 HB2 HIS A 602 7.809 5.086 -7.664 1.00 0.00 H new ATOM 0 HB3 HIS A 602 7.457 3.409 -7.300 1.00 0.00 H new ATOM 0 HD2 HIS A 602 5.642 6.267 -9.391 1.00 0.00 H new ATOM 0 HE1 HIS A 602 4.933 2.508 -11.212 1.00 0.00 H new ATOM 0 HE2 HIS A 602 4.539 5.013 -11.393 1.00 0.00 H new ATOM 283 N LEU A 603 5.723 2.717 -5.196 1.00 0.00 N ATOM 284 CA LEU A 603 4.945 1.580 -4.713 1.00 0.00 C ATOM 285 C LEU A 603 3.851 2.039 -3.754 1.00 0.00 C ATOM 286 O LEU A 603 2.741 1.508 -3.766 1.00 0.00 O ATOM 287 CB LEU A 603 5.859 0.554 -4.038 1.00 0.00 C ATOM 288 CG LEU A 603 6.984 0.018 -4.931 1.00 0.00 C ATOM 289 CD1 LEU A 603 8.031 -0.713 -4.106 1.00 0.00 C ATOM 290 CD2 LEU A 603 6.420 -0.901 -6.003 1.00 0.00 C ATOM 0 H LEU A 603 6.702 2.702 -4.911 1.00 0.00 H new ATOM 0 HA LEU A 603 4.466 1.105 -5.569 1.00 0.00 H new ATOM 0 HB2 LEU A 603 6.302 1.008 -3.152 1.00 0.00 H new ATOM 0 HB3 LEU A 603 5.252 -0.285 -3.697 1.00 0.00 H new ATOM 0 HG LEU A 603 7.465 0.868 -5.416 1.00 0.00 H new ATOM 0 HD11 LEU A 603 8.818 -1.084 -4.763 1.00 0.00 H new ATOM 0 HD12 LEU A 603 8.461 -0.029 -3.375 1.00 0.00 H new ATOM 0 HD13 LEU A 603 7.566 -1.552 -3.588 1.00 0.00 H new ATOM 0 HD21 LEU A 603 7.232 -1.272 -6.628 1.00 0.00 H new ATOM 0 HD22 LEU A 603 5.912 -1.742 -5.531 1.00 0.00 H new ATOM 0 HD23 LEU A 603 5.711 -0.348 -6.620 1.00 0.00 H new ATOM 302 N VAL A 604 4.170 3.037 -2.938 1.00 0.00 N ATOM 303 CA VAL A 604 3.236 3.541 -1.937 1.00 0.00 C ATOM 304 C VAL A 604 2.006 4.158 -2.605 1.00 0.00 C ATOM 305 O VAL A 604 0.875 3.924 -2.176 1.00 0.00 O ATOM 306 CB VAL A 604 3.900 4.588 -1.014 1.00 0.00 C ATOM 307 CG1 VAL A 604 2.876 5.224 -0.093 1.00 0.00 C ATOM 308 CG2 VAL A 604 5.007 3.953 -0.192 1.00 0.00 C ATOM 0 H VAL A 604 5.071 3.515 -2.950 1.00 0.00 H new ATOM 0 HA VAL A 604 2.929 2.690 -1.329 1.00 0.00 H new ATOM 0 HB VAL A 604 4.331 5.364 -1.647 1.00 0.00 H new ATOM 0 HG11 VAL A 604 3.368 5.957 0.547 1.00 0.00 H new ATOM 0 HG12 VAL A 604 2.109 5.719 -0.688 1.00 0.00 H new ATOM 0 HG13 VAL A 604 2.415 4.454 0.526 1.00 0.00 H new ATOM 0 HG21 VAL A 604 5.461 4.707 0.451 1.00 0.00 H new ATOM 0 HG22 VAL A 604 4.591 3.155 0.423 1.00 0.00 H new ATOM 0 HG23 VAL A 604 5.764 3.541 -0.859 1.00 0.00 H new ATOM 318 N HIS A 605 2.232 4.933 -3.664 1.00 0.00 N ATOM 319 CA HIS A 605 1.126 5.552 -4.399 1.00 0.00 C ATOM 320 C HIS A 605 0.260 4.480 -5.043 1.00 0.00 C ATOM 321 O HIS A 605 -0.964 4.584 -5.051 1.00 0.00 O ATOM 322 CB HIS A 605 1.619 6.532 -5.472 1.00 0.00 C ATOM 323 CG HIS A 605 2.230 7.787 -4.927 1.00 0.00 C ATOM 324 ND1 HIS A 605 1.898 9.040 -5.388 1.00 0.00 N ATOM 325 CD2 HIS A 605 3.162 7.981 -3.965 1.00 0.00 C ATOM 326 CE1 HIS A 605 2.598 9.947 -4.737 1.00 0.00 C ATOM 327 NE2 HIS A 605 3.373 9.332 -3.867 1.00 0.00 N ATOM 0 H HIS A 605 3.159 5.147 -4.031 1.00 0.00 H new ATOM 0 HA HIS A 605 0.537 6.119 -3.678 1.00 0.00 H new ATOM 0 HB2 HIS A 605 2.354 6.027 -6.099 1.00 0.00 H new ATOM 0 HB3 HIS A 605 0.781 6.800 -6.116 1.00 0.00 H new ATOM 0 HD2 HIS A 605 3.649 7.213 -3.382 1.00 0.00 H new ATOM 0 HE1 HIS A 605 2.545 11.015 -4.891 1.00 0.00 H new ATOM 0 HE2 HIS A 605 4.023 9.786 -3.226 1.00 0.00 H new ATOM 336 N LYS A 606 0.906 3.444 -5.574 1.00 0.00 N ATOM 337 CA LYS A 606 0.198 2.326 -6.178 1.00 0.00 C ATOM 338 C LYS A 606 -0.662 1.614 -5.135 1.00 0.00 C ATOM 339 O LYS A 606 -1.791 1.209 -5.416 1.00 0.00 O ATOM 340 CB LYS A 606 1.193 1.354 -6.817 1.00 0.00 C ATOM 341 CG LYS A 606 0.556 0.074 -7.334 1.00 0.00 C ATOM 342 CD LYS A 606 1.545 -0.774 -8.119 1.00 0.00 C ATOM 343 CE LYS A 606 1.809 -0.194 -9.500 1.00 0.00 C ATOM 344 NZ LYS A 606 0.580 -0.183 -10.339 1.00 0.00 N ATOM 0 H LYS A 606 1.922 3.359 -5.596 1.00 0.00 H new ATOM 0 HA LYS A 606 -0.460 2.707 -6.959 1.00 0.00 H new ATOM 0 HB2 LYS A 606 1.698 1.856 -7.642 1.00 0.00 H new ATOM 0 HB3 LYS A 606 1.958 1.098 -6.084 1.00 0.00 H new ATOM 0 HG2 LYS A 606 0.169 -0.504 -6.495 1.00 0.00 H new ATOM 0 HG3 LYS A 606 -0.294 0.322 -7.970 1.00 0.00 H new ATOM 0 HD2 LYS A 606 2.483 -0.844 -7.568 1.00 0.00 H new ATOM 0 HD3 LYS A 606 1.157 -1.788 -8.218 1.00 0.00 H new ATOM 0 HE2 LYS A 606 2.190 0.822 -9.401 1.00 0.00 H new ATOM 0 HE3 LYS A 606 2.583 -0.778 -9.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 606 0.845 -0.111 -11.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 606 0.046 -1.062 -10.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 606 -0.011 0.632 -10.078 1.00 0.00 H new ATOM 358 N LEU A 607 -0.115 1.474 -3.932 1.00 0.00 N ATOM 359 CA LEU A 607 -0.826 0.851 -2.823 1.00 0.00 C ATOM 360 C LEU A 607 -2.097 1.639 -2.504 1.00 0.00 C ATOM 361 O LEU A 607 -3.176 1.063 -2.365 1.00 0.00 O ATOM 362 CB LEU A 607 0.100 0.779 -1.599 1.00 0.00 C ATOM 363 CG LEU A 607 -0.326 -0.178 -0.479 1.00 0.00 C ATOM 364 CD1 LEU A 607 0.862 -0.488 0.412 1.00 0.00 C ATOM 365 CD2 LEU A 607 -1.450 0.415 0.355 1.00 0.00 C ATOM 0 H LEU A 607 0.828 1.787 -3.700 1.00 0.00 H new ATOM 0 HA LEU A 607 -1.119 -0.162 -3.099 1.00 0.00 H new ATOM 0 HB2 LEU A 607 1.094 0.487 -1.939 1.00 0.00 H new ATOM 0 HB3 LEU A 607 0.189 1.780 -1.178 1.00 0.00 H new ATOM 0 HG LEU A 607 -0.691 -1.096 -0.939 1.00 0.00 H new ATOM 0 HD11 LEU A 607 0.554 -1.168 1.206 1.00 0.00 H new ATOM 0 HD12 LEU A 607 1.649 -0.955 -0.180 1.00 0.00 H new ATOM 0 HD13 LEU A 607 1.238 0.436 0.852 1.00 0.00 H new ATOM 0 HD21 LEU A 607 -1.730 -0.287 1.140 1.00 0.00 H new ATOM 0 HD22 LEU A 607 -1.115 1.349 0.806 1.00 0.00 H new ATOM 0 HD23 LEU A 607 -2.313 0.609 -0.282 1.00 0.00 H new ATOM 377 N VAL A 608 -1.958 2.958 -2.394 1.00 0.00 N ATOM 378 CA VAL A 608 -3.104 3.838 -2.175 1.00 0.00 C ATOM 379 C VAL A 608 -4.096 3.739 -3.337 1.00 0.00 C ATOM 380 O VAL A 608 -5.305 3.631 -3.127 1.00 0.00 O ATOM 381 CB VAL A 608 -2.656 5.311 -2.008 1.00 0.00 C ATOM 382 CG1 VAL A 608 -3.854 6.237 -1.852 1.00 0.00 C ATOM 383 CG2 VAL A 608 -1.717 5.452 -0.820 1.00 0.00 C ATOM 0 H VAL A 608 -1.062 3.442 -2.453 1.00 0.00 H new ATOM 0 HA VAL A 608 -3.592 3.512 -1.256 1.00 0.00 H new ATOM 0 HB VAL A 608 -2.121 5.602 -2.912 1.00 0.00 H new ATOM 0 HG11 VAL A 608 -3.507 7.264 -1.737 1.00 0.00 H new ATOM 0 HG12 VAL A 608 -4.487 6.165 -2.736 1.00 0.00 H new ATOM 0 HG13 VAL A 608 -4.426 5.946 -0.971 1.00 0.00 H new ATOM 0 HG21 VAL A 608 -1.413 6.494 -0.718 1.00 0.00 H new ATOM 0 HG22 VAL A 608 -2.229 5.133 0.088 1.00 0.00 H new ATOM 0 HG23 VAL A 608 -0.836 4.830 -0.977 1.00 0.00 H new ATOM 393 N GLN A 609 -3.565 3.757 -4.556 1.00 0.00 N ATOM 394 CA GLN A 609 -4.373 3.667 -5.771 1.00 0.00 C ATOM 395 C GLN A 609 -5.234 2.406 -5.759 1.00 0.00 C ATOM 396 O GLN A 609 -6.387 2.428 -6.192 1.00 0.00 O ATOM 397 CB GLN A 609 -3.458 3.697 -7.006 1.00 0.00 C ATOM 398 CG GLN A 609 -4.185 3.700 -8.345 1.00 0.00 C ATOM 399 CD GLN A 609 -4.299 2.318 -8.974 1.00 0.00 C ATOM 400 OE1 GLN A 609 -3.418 1.889 -9.721 1.00 0.00 O ATOM 401 NE2 GLN A 609 -5.382 1.612 -8.682 1.00 0.00 N ATOM 0 H GLN A 609 -2.563 3.834 -4.731 1.00 0.00 H new ATOM 0 HA GLN A 609 -5.045 4.524 -5.812 1.00 0.00 H new ATOM 0 HB2 GLN A 609 -2.826 4.584 -6.950 1.00 0.00 H new ATOM 0 HB3 GLN A 609 -2.796 2.832 -6.971 1.00 0.00 H new ATOM 0 HG2 GLN A 609 -5.185 4.112 -8.206 1.00 0.00 H new ATOM 0 HG3 GLN A 609 -3.660 4.362 -9.034 1.00 0.00 H new ATOM 0 HE21 GLN A 609 -6.091 2.000 -8.059 1.00 0.00 H new ATOM 0 HE22 GLN A 609 -5.507 0.681 -9.080 1.00 0.00 H new ATOM 410 N ALA A 610 -4.662 1.313 -5.274 1.00 0.00 N ATOM 411 CA ALA A 610 -5.365 0.039 -5.195 1.00 0.00 C ATOM 412 C ALA A 610 -6.615 0.140 -4.323 1.00 0.00 C ATOM 413 O ALA A 610 -7.648 -0.446 -4.640 1.00 0.00 O ATOM 414 CB ALA A 610 -4.438 -1.043 -4.663 1.00 0.00 C ATOM 0 H ALA A 610 -3.704 1.283 -4.926 1.00 0.00 H new ATOM 0 HA ALA A 610 -5.683 -0.227 -6.203 1.00 0.00 H new ATOM 0 HB1 ALA A 610 -4.976 -1.989 -4.609 1.00 0.00 H new ATOM 0 HB2 ALA A 610 -3.583 -1.150 -5.330 1.00 0.00 H new ATOM 0 HB3 ALA A 610 -4.090 -0.767 -3.668 1.00 0.00 H new ATOM 420 N ILE A 611 -6.514 0.885 -3.227 1.00 0.00 N ATOM 421 CA ILE A 611 -7.609 0.982 -2.264 1.00 0.00 C ATOM 422 C ILE A 611 -8.627 2.041 -2.704 1.00 0.00 C ATOM 423 O ILE A 611 -9.828 1.894 -2.468 1.00 0.00 O ATOM 424 CB ILE A 611 -7.073 1.318 -0.818 1.00 0.00 C ATOM 425 CG1 ILE A 611 -6.090 0.239 -0.302 1.00 0.00 C ATOM 426 CG2 ILE A 611 -8.213 1.521 0.186 1.00 0.00 C ATOM 427 CD1 ILE A 611 -5.089 0.772 0.702 1.00 0.00 C ATOM 0 H ILE A 611 -5.687 1.430 -2.982 1.00 0.00 H new ATOM 0 HA ILE A 611 -8.102 0.011 -2.230 1.00 0.00 H new ATOM 0 HB ILE A 611 -6.530 2.259 -0.905 1.00 0.00 H new ATOM 0 HG12 ILE A 611 -6.658 -0.571 0.156 1.00 0.00 H new ATOM 0 HG13 ILE A 611 -5.553 -0.188 -1.149 1.00 0.00 H new ATOM 0 HG21 ILE A 611 -7.797 1.750 1.167 1.00 0.00 H new ATOM 0 HG22 ILE A 611 -8.844 2.347 -0.142 1.00 0.00 H new ATOM 0 HG23 ILE A 611 -8.809 0.611 0.248 1.00 0.00 H new ATOM 0 HD11 ILE A 611 -4.431 -0.035 1.023 1.00 0.00 H new ATOM 0 HD12 ILE A 611 -4.496 1.562 0.241 1.00 0.00 H new ATOM 0 HD13 ILE A 611 -5.619 1.173 1.566 1.00 0.00 H new ATOM 439 N PHE A 612 -8.154 3.089 -3.368 1.00 0.00 N ATOM 440 CA PHE A 612 -9.013 4.193 -3.759 1.00 0.00 C ATOM 441 C PHE A 612 -8.387 4.924 -4.948 1.00 0.00 C ATOM 442 O PHE A 612 -7.562 5.819 -4.768 1.00 0.00 O ATOM 443 CB PHE A 612 -9.211 5.139 -2.567 1.00 0.00 C ATOM 444 CG PHE A 612 -10.296 6.162 -2.760 1.00 0.00 C ATOM 445 CD1 PHE A 612 -11.536 5.800 -3.267 1.00 0.00 C ATOM 446 CD2 PHE A 612 -10.077 7.488 -2.428 1.00 0.00 C ATOM 447 CE1 PHE A 612 -12.532 6.742 -3.440 1.00 0.00 C ATOM 448 CE2 PHE A 612 -11.070 8.434 -2.596 1.00 0.00 C ATOM 449 CZ PHE A 612 -12.298 8.062 -3.104 1.00 0.00 C ATOM 0 H PHE A 612 -7.178 3.195 -3.646 1.00 0.00 H new ATOM 0 HA PHE A 612 -9.991 3.818 -4.060 1.00 0.00 H new ATOM 0 HB2 PHE A 612 -9.441 4.546 -1.682 1.00 0.00 H new ATOM 0 HB3 PHE A 612 -8.272 5.656 -2.369 1.00 0.00 H new ATOM 0 HD1 PHE A 612 -11.725 4.770 -3.530 1.00 0.00 H new ATOM 0 HD2 PHE A 612 -9.118 7.787 -2.033 1.00 0.00 H new ATOM 0 HE1 PHE A 612 -13.492 6.447 -3.837 1.00 0.00 H new ATOM 0 HE2 PHE A 612 -10.885 9.464 -2.330 1.00 0.00 H new ATOM 0 HZ PHE A 612 -13.074 8.801 -3.239 1.00 0.00 H new ATOM 459 N PRO A 613 -8.764 4.545 -6.183 1.00 0.00 N ATOM 460 CA PRO A 613 -8.069 5.020 -7.389 1.00 0.00 C ATOM 461 C PRO A 613 -8.384 6.471 -7.747 1.00 0.00 C ATOM 462 O PRO A 613 -7.533 7.172 -8.291 1.00 0.00 O ATOM 463 CB PRO A 613 -8.569 4.073 -8.490 1.00 0.00 C ATOM 464 CG PRO A 613 -9.893 3.561 -8.007 1.00 0.00 C ATOM 465 CD PRO A 613 -9.885 3.627 -6.496 1.00 0.00 C ATOM 0 HA PRO A 613 -6.988 5.009 -7.248 1.00 0.00 H new ATOM 0 HB2 PRO A 613 -8.674 4.597 -9.440 1.00 0.00 H new ATOM 0 HB3 PRO A 613 -7.867 3.255 -8.652 1.00 0.00 H new ATOM 0 HG2 PRO A 613 -10.707 4.162 -8.412 1.00 0.00 H new ATOM 0 HG3 PRO A 613 -10.054 2.537 -8.345 1.00 0.00 H new ATOM 0 HD2 PRO A 613 -10.831 4.005 -6.108 1.00 0.00 H new ATOM 0 HD3 PRO A 613 -9.730 2.643 -6.054 1.00 0.00 H new ATOM 473 N THR A 614 -9.600 6.916 -7.454 1.00 0.00 N ATOM 474 CA THR A 614 -10.021 8.274 -7.787 1.00 0.00 C ATOM 475 C THR A 614 -9.537 9.291 -6.749 1.00 0.00 C ATOM 476 O THR A 614 -10.043 9.322 -5.623 1.00 0.00 O ATOM 477 CB THR A 614 -11.557 8.358 -7.900 1.00 0.00 C ATOM 478 OG1 THR A 614 -12.161 7.762 -6.745 1.00 0.00 O ATOM 479 CG2 THR A 614 -12.045 7.648 -9.153 1.00 0.00 C ATOM 0 H THR A 614 -10.313 6.357 -6.986 1.00 0.00 H new ATOM 0 HA THR A 614 -9.569 8.518 -8.748 1.00 0.00 H new ATOM 0 HB THR A 614 -11.841 9.409 -7.962 1.00 0.00 H new ATOM 0 HG1 THR A 614 -11.695 8.066 -5.938 1.00 0.00 H new ATOM 0 HG21 THR A 614 -13.131 7.720 -9.212 1.00 0.00 H new ATOM 0 HG22 THR A 614 -11.602 8.116 -10.032 1.00 0.00 H new ATOM 0 HG23 THR A 614 -11.752 6.599 -9.114 1.00 0.00 H new ATOM 487 N PRO A 615 -8.555 10.140 -7.108 1.00 0.00 N ATOM 488 CA PRO A 615 -8.037 11.186 -6.222 1.00 0.00 C ATOM 489 C PRO A 615 -8.955 12.403 -6.197 1.00 0.00 C ATOM 490 O PRO A 615 -8.644 13.449 -6.772 1.00 0.00 O ATOM 491 CB PRO A 615 -6.675 11.553 -6.842 1.00 0.00 C ATOM 492 CG PRO A 615 -6.476 10.589 -7.980 1.00 0.00 C ATOM 493 CD PRO A 615 -7.858 10.167 -8.399 1.00 0.00 C ATOM 0 HA PRO A 615 -7.962 10.849 -5.188 1.00 0.00 H new ATOM 0 HB2 PRO A 615 -6.670 12.584 -7.196 1.00 0.00 H new ATOM 0 HB3 PRO A 615 -5.874 11.464 -6.108 1.00 0.00 H new ATOM 0 HG2 PRO A 615 -5.943 11.061 -8.805 1.00 0.00 H new ATOM 0 HG3 PRO A 615 -5.882 9.730 -7.667 1.00 0.00 H new ATOM 0 HD2 PRO A 615 -8.310 10.873 -9.095 1.00 0.00 H new ATOM 0 HD3 PRO A 615 -7.860 9.193 -8.887 1.00 0.00 H new ATOM 501 N ASP A 616 -10.092 12.250 -5.536 1.00 0.00 N ATOM 502 CA ASP A 616 -11.076 13.323 -5.427 1.00 0.00 C ATOM 503 C ASP A 616 -10.521 14.464 -4.582 1.00 0.00 C ATOM 504 O ASP A 616 -10.046 14.240 -3.471 1.00 0.00 O ATOM 505 CB ASP A 616 -12.369 12.793 -4.796 1.00 0.00 C ATOM 506 CG ASP A 616 -13.456 13.846 -4.740 1.00 0.00 C ATOM 507 OD1 ASP A 616 -14.138 14.054 -5.762 1.00 0.00 O ATOM 508 OD2 ASP A 616 -13.641 14.462 -3.669 1.00 0.00 O ATOM 0 H ASP A 616 -10.360 11.387 -5.063 1.00 0.00 H new ATOM 0 HA ASP A 616 -11.295 13.696 -6.428 1.00 0.00 H new ATOM 0 HB2 ASP A 616 -12.725 11.937 -5.368 1.00 0.00 H new ATOM 0 HB3 ASP A 616 -12.159 12.437 -3.787 1.00 0.00 H new ATOM 513 N PRO A 617 -10.568 15.706 -5.111 1.00 0.00 N ATOM 514 CA PRO A 617 -9.989 16.887 -4.452 1.00 0.00 C ATOM 515 C PRO A 617 -10.508 17.120 -3.033 1.00 0.00 C ATOM 516 O PRO A 617 -9.815 17.722 -2.210 1.00 0.00 O ATOM 517 CB PRO A 617 -10.389 18.065 -5.364 1.00 0.00 C ATOM 518 CG PRO A 617 -11.440 17.528 -6.273 1.00 0.00 C ATOM 519 CD PRO A 617 -11.165 16.058 -6.414 1.00 0.00 C ATOM 0 HA PRO A 617 -8.913 16.764 -4.332 1.00 0.00 H new ATOM 0 HB2 PRO A 617 -10.768 18.903 -4.779 1.00 0.00 H new ATOM 0 HB3 PRO A 617 -9.532 18.432 -5.929 1.00 0.00 H new ATOM 0 HG2 PRO A 617 -12.435 17.700 -5.862 1.00 0.00 H new ATOM 0 HG3 PRO A 617 -11.406 18.025 -7.243 1.00 0.00 H new ATOM 0 HD2 PRO A 617 -12.077 15.493 -6.606 1.00 0.00 H new ATOM 0 HD3 PRO A 617 -10.483 15.852 -7.239 1.00 0.00 H new ATOM 527 N ALA A 618 -11.716 16.651 -2.739 1.00 0.00 N ATOM 528 CA ALA A 618 -12.279 16.804 -1.405 1.00 0.00 C ATOM 529 C ALA A 618 -11.726 15.732 -0.475 1.00 0.00 C ATOM 530 O ALA A 618 -11.224 16.035 0.608 1.00 0.00 O ATOM 531 CB ALA A 618 -13.797 16.739 -1.452 1.00 0.00 C ATOM 0 H ALA A 618 -12.320 16.165 -3.402 1.00 0.00 H new ATOM 0 HA ALA A 618 -11.993 17.782 -1.018 1.00 0.00 H new ATOM 0 HB1 ALA A 618 -14.198 16.855 -0.445 1.00 0.00 H new ATOM 0 HB2 ALA A 618 -14.176 17.539 -2.088 1.00 0.00 H new ATOM 0 HB3 ALA A 618 -14.108 15.776 -1.857 1.00 0.00 H new ATOM 537 N ALA A 619 -11.825 14.477 -0.909 1.00 0.00 N ATOM 538 CA ALA A 619 -11.256 13.348 -0.176 1.00 0.00 C ATOM 539 C ALA A 619 -9.755 13.521 0.032 1.00 0.00 C ATOM 540 O ALA A 619 -9.192 13.024 1.004 1.00 0.00 O ATOM 541 CB ALA A 619 -11.537 12.046 -0.909 1.00 0.00 C ATOM 0 H ALA A 619 -12.299 14.215 -1.773 1.00 0.00 H new ATOM 0 HA ALA A 619 -11.730 13.314 0.805 1.00 0.00 H new ATOM 0 HB1 ALA A 619 -11.107 11.214 -0.351 1.00 0.00 H new ATOM 0 HB2 ALA A 619 -12.614 11.904 -0.999 1.00 0.00 H new ATOM 0 HB3 ALA A 619 -11.092 12.085 -1.903 1.00 0.00 H new ATOM 547 N LEU A 620 -9.122 14.242 -0.885 1.00 0.00 N ATOM 548 CA LEU A 620 -7.686 14.495 -0.822 1.00 0.00 C ATOM 549 C LEU A 620 -7.344 15.258 0.458 1.00 0.00 C ATOM 550 O LEU A 620 -6.244 15.135 0.999 1.00 0.00 O ATOM 551 CB LEU A 620 -7.240 15.300 -2.049 1.00 0.00 C ATOM 552 CG LEU A 620 -5.991 14.782 -2.779 1.00 0.00 C ATOM 553 CD1 LEU A 620 -4.777 14.770 -1.862 1.00 0.00 C ATOM 554 CD2 LEU A 620 -6.241 13.394 -3.352 1.00 0.00 C ATOM 0 H LEU A 620 -9.585 14.666 -1.689 1.00 0.00 H new ATOM 0 HA LEU A 620 -7.159 13.541 -0.815 1.00 0.00 H new ATOM 0 HB2 LEU A 620 -8.066 15.328 -2.760 1.00 0.00 H new ATOM 0 HB3 LEU A 620 -7.053 16.327 -1.736 1.00 0.00 H new ATOM 0 HG LEU A 620 -5.781 15.465 -3.602 1.00 0.00 H new ATOM 0 HD11 LEU A 620 -3.911 14.398 -2.410 1.00 0.00 H new ATOM 0 HD12 LEU A 620 -4.577 15.782 -1.510 1.00 0.00 H new ATOM 0 HD13 LEU A 620 -4.972 14.121 -1.008 1.00 0.00 H new ATOM 0 HD21 LEU A 620 -5.345 13.045 -3.865 1.00 0.00 H new ATOM 0 HD22 LEU A 620 -6.488 12.706 -2.544 1.00 0.00 H new ATOM 0 HD23 LEU A 620 -7.070 13.436 -4.058 1.00 0.00 H new ATOM 566 N LYS A 621 -8.300 16.048 0.934 1.00 0.00 N ATOM 567 CA LYS A 621 -8.123 16.821 2.158 1.00 0.00 C ATOM 568 C LYS A 621 -8.884 16.194 3.326 1.00 0.00 C ATOM 569 O LYS A 621 -9.094 16.838 4.357 1.00 0.00 O ATOM 570 CB LYS A 621 -8.587 18.268 1.949 1.00 0.00 C ATOM 571 CG LYS A 621 -7.766 19.028 0.918 1.00 0.00 C ATOM 572 CD LYS A 621 -8.180 20.490 0.830 1.00 0.00 C ATOM 573 CE LYS A 621 -9.574 20.658 0.243 1.00 0.00 C ATOM 574 NZ LYS A 621 -9.632 20.260 -1.188 1.00 0.00 N ATOM 0 H LYS A 621 -9.209 16.170 0.489 1.00 0.00 H new ATOM 0 HA LYS A 621 -7.061 16.817 2.402 1.00 0.00 H new ATOM 0 HB2 LYS A 621 -9.632 18.264 1.638 1.00 0.00 H new ATOM 0 HB3 LYS A 621 -8.539 18.797 2.901 1.00 0.00 H new ATOM 0 HG2 LYS A 621 -6.709 18.965 1.177 1.00 0.00 H new ATOM 0 HG3 LYS A 621 -7.884 18.558 -0.058 1.00 0.00 H new ATOM 0 HD2 LYS A 621 -8.150 20.935 1.825 1.00 0.00 H new ATOM 0 HD3 LYS A 621 -7.461 21.033 0.216 1.00 0.00 H new ATOM 0 HE2 LYS A 621 -10.282 20.058 0.814 1.00 0.00 H new ATOM 0 HE3 LYS A 621 -9.885 21.698 0.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 621 -10.457 20.705 -1.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 621 -8.764 20.570 -1.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 621 -9.716 19.226 -1.258 1.00 0.00 H new ATOM 588 N ASP A 622 -9.289 14.941 3.168 1.00 0.00 N ATOM 589 CA ASP A 622 -10.018 14.239 4.221 1.00 0.00 C ATOM 590 C ASP A 622 -9.040 13.512 5.131 1.00 0.00 C ATOM 591 O ASP A 622 -8.190 12.748 4.670 1.00 0.00 O ATOM 592 CB ASP A 622 -11.008 13.228 3.631 1.00 0.00 C ATOM 593 CG ASP A 622 -12.035 12.768 4.646 1.00 0.00 C ATOM 594 OD1 ASP A 622 -11.712 11.904 5.487 1.00 0.00 O ATOM 595 OD2 ASP A 622 -13.172 13.286 4.620 1.00 0.00 O ATOM 0 H ASP A 622 -9.127 14.390 2.325 1.00 0.00 H new ATOM 0 HA ASP A 622 -10.577 14.979 4.793 1.00 0.00 H new ATOM 0 HB2 ASP A 622 -11.518 13.678 2.779 1.00 0.00 H new ATOM 0 HB3 ASP A 622 -10.460 12.364 3.255 1.00 0.00 H new ATOM 600 N ARG A 623 -9.164 13.770 6.429 1.00 0.00 N ATOM 601 CA ARG A 623 -8.295 13.176 7.438 1.00 0.00 C ATOM 602 C ARG A 623 -8.309 11.653 7.395 1.00 0.00 C ATOM 603 O ARG A 623 -7.283 11.020 7.639 1.00 0.00 O ATOM 604 CB ARG A 623 -8.671 13.669 8.837 1.00 0.00 C ATOM 605 CG ARG A 623 -8.368 15.143 9.073 1.00 0.00 C ATOM 606 CD ARG A 623 -6.916 15.477 8.756 1.00 0.00 C ATOM 607 NE ARG A 623 -5.984 14.578 9.435 1.00 0.00 N ATOM 608 CZ ARG A 623 -4.698 14.447 9.107 1.00 0.00 C ATOM 609 NH1 ARG A 623 -4.171 15.194 8.144 1.00 0.00 N ATOM 610 NH2 ARG A 623 -3.934 13.576 9.754 1.00 0.00 N ATOM 0 H ARG A 623 -9.871 14.398 6.811 1.00 0.00 H new ATOM 0 HA ARG A 623 -7.280 13.498 7.206 1.00 0.00 H new ATOM 0 HB2 ARG A 623 -9.735 13.496 8.999 1.00 0.00 H new ATOM 0 HB3 ARG A 623 -8.135 13.075 9.577 1.00 0.00 H new ATOM 0 HG2 ARG A 623 -9.025 15.753 8.454 1.00 0.00 H new ATOM 0 HG3 ARG A 623 -8.582 15.397 10.111 1.00 0.00 H new ATOM 0 HD2 ARG A 623 -6.757 15.417 7.679 1.00 0.00 H new ATOM 0 HD3 ARG A 623 -6.708 16.505 9.052 1.00 0.00 H new ATOM 0 HE ARG A 623 -6.340 14.016 10.208 1.00 0.00 H new ATOM 0 HH11 ARG A 623 -4.750 15.873 7.650 1.00 0.00 H new ATOM 0 HH12 ARG A 623 -3.187 15.089 7.898 1.00 0.00 H new ATOM 0 HH21 ARG A 623 -4.330 13.007 10.502 1.00 0.00 H new ATOM 0 HH22 ARG A 623 -2.950 13.476 9.503 1.00 0.00 H new ATOM 624 N ARG A 624 -9.467 11.057 7.122 1.00 0.00 N ATOM 625 CA ARG A 624 -9.566 9.604 7.071 1.00 0.00 C ATOM 626 C ARG A 624 -8.663 9.051 5.968 1.00 0.00 C ATOM 627 O ARG A 624 -8.032 8.009 6.142 1.00 0.00 O ATOM 628 CB ARG A 624 -11.009 9.141 6.862 1.00 0.00 C ATOM 629 CG ARG A 624 -11.197 7.656 7.139 1.00 0.00 C ATOM 630 CD ARG A 624 -12.629 7.205 6.901 1.00 0.00 C ATOM 631 NE ARG A 624 -13.593 7.944 7.716 1.00 0.00 N ATOM 632 CZ ARG A 624 -14.463 7.371 8.550 1.00 0.00 C ATOM 633 NH1 ARG A 624 -14.424 6.061 8.764 1.00 0.00 N ATOM 634 NH2 ARG A 624 -15.349 8.119 9.196 1.00 0.00 N ATOM 0 H ARG A 624 -10.339 11.552 6.935 1.00 0.00 H new ATOM 0 HA ARG A 624 -9.233 9.215 8.033 1.00 0.00 H new ATOM 0 HB2 ARG A 624 -11.668 9.714 7.514 1.00 0.00 H new ATOM 0 HB3 ARG A 624 -11.310 9.356 5.837 1.00 0.00 H new ATOM 0 HG2 ARG A 624 -10.526 7.081 6.501 1.00 0.00 H new ATOM 0 HG3 ARG A 624 -10.917 7.442 8.170 1.00 0.00 H new ATOM 0 HD2 ARG A 624 -12.876 7.333 5.847 1.00 0.00 H new ATOM 0 HD3 ARG A 624 -12.712 6.141 7.121 1.00 0.00 H new ATOM 0 HE ARG A 624 -13.601 8.961 7.642 1.00 0.00 H new ATOM 0 HH11 ARG A 624 -13.727 5.487 8.290 1.00 0.00 H new ATOM 0 HH12 ARG A 624 -15.091 5.628 9.403 1.00 0.00 H new ATOM 0 HH21 ARG A 624 -15.364 9.129 9.054 1.00 0.00 H new ATOM 0 HH22 ARG A 624 -16.015 7.684 9.834 1.00 0.00 H new ATOM 648 N MET A 625 -8.604 9.752 4.831 1.00 0.00 N ATOM 649 CA MET A 625 -7.696 9.369 3.751 1.00 0.00 C ATOM 650 C MET A 625 -6.249 9.330 4.247 1.00 0.00 C ATOM 651 O MET A 625 -5.481 8.455 3.851 1.00 0.00 O ATOM 652 CB MET A 625 -7.819 10.286 2.521 1.00 0.00 C ATOM 653 CG MET A 625 -6.680 10.086 1.518 1.00 0.00 C ATOM 654 SD MET A 625 -6.843 11.095 0.031 1.00 0.00 S ATOM 655 CE MET A 625 -8.222 10.284 -0.775 1.00 0.00 C ATOM 0 H MET A 625 -9.169 10.579 4.638 1.00 0.00 H new ATOM 0 HA MET A 625 -7.990 8.368 3.434 1.00 0.00 H new ATOM 0 HB2 MET A 625 -8.771 10.096 2.026 1.00 0.00 H new ATOM 0 HB3 MET A 625 -7.831 11.326 2.848 1.00 0.00 H new ATOM 0 HG2 MET A 625 -5.733 10.321 2.004 1.00 0.00 H new ATOM 0 HG3 MET A 625 -6.639 9.035 1.231 1.00 0.00 H new ATOM 0 HE1 MET A 625 -8.446 10.793 -1.713 1.00 0.00 H new ATOM 0 HE2 MET A 625 -7.964 9.245 -0.979 1.00 0.00 H new ATOM 0 HE3 MET A 625 -9.096 10.320 -0.125 1.00 0.00 H new ATOM 665 N GLU A 626 -5.884 10.273 5.119 1.00 0.00 N ATOM 666 CA GLU A 626 -4.526 10.350 5.650 1.00 0.00 C ATOM 667 C GLU A 626 -4.173 9.040 6.351 1.00 0.00 C ATOM 668 O GLU A 626 -3.061 8.541 6.227 1.00 0.00 O ATOM 669 CB GLU A 626 -4.402 11.538 6.615 1.00 0.00 C ATOM 670 CG GLU A 626 -2.978 12.051 6.823 1.00 0.00 C ATOM 671 CD GLU A 626 -2.120 11.149 7.690 1.00 0.00 C ATOM 672 OE1 GLU A 626 -2.390 11.051 8.907 1.00 0.00 O ATOM 673 OE2 GLU A 626 -1.152 10.560 7.167 1.00 0.00 O ATOM 0 H GLU A 626 -6.513 10.994 5.471 1.00 0.00 H new ATOM 0 HA GLU A 626 -3.825 10.505 4.830 1.00 0.00 H new ATOM 0 HB2 GLU A 626 -5.017 12.357 6.241 1.00 0.00 H new ATOM 0 HB3 GLU A 626 -4.813 11.247 7.582 1.00 0.00 H new ATOM 0 HG2 GLU A 626 -2.499 12.167 5.851 1.00 0.00 H new ATOM 0 HG3 GLU A 626 -3.022 13.041 7.277 1.00 0.00 H new ATOM 680 N ASN A 627 -5.144 8.476 7.066 1.00 0.00 N ATOM 681 CA ASN A 627 -4.949 7.198 7.750 1.00 0.00 C ATOM 682 C ASN A 627 -4.594 6.109 6.746 1.00 0.00 C ATOM 683 O ASN A 627 -3.737 5.267 7.003 1.00 0.00 O ATOM 684 CB ASN A 627 -6.201 6.782 8.530 1.00 0.00 C ATOM 685 CG ASN A 627 -6.447 7.619 9.776 1.00 0.00 C ATOM 686 OD1 ASN A 627 -6.042 8.880 9.748 1.00 0.00 O flip ATOM 687 ND2 ASN A 627 -6.997 7.131 10.760 1.00 0.00 N flip ATOM 0 H ASN A 627 -6.072 8.882 7.187 1.00 0.00 H new ATOM 0 HA ASN A 627 -4.129 7.327 8.457 1.00 0.00 H new ATOM 0 HB2 ASN A 627 -7.069 6.857 7.875 1.00 0.00 H new ATOM 0 HB3 ASN A 627 -6.108 5.735 8.818 1.00 0.00 H new ATOM 0 HD21 ASN A 627 -7.296 6.156 10.746 1.00 0.00 H new ATOM 0 HD22 ASN A 627 -7.155 7.701 11.591 1.00 0.00 H new ATOM 694 N LEU A 628 -5.258 6.140 5.595 1.00 0.00 N ATOM 695 CA LEU A 628 -4.983 5.178 4.523 1.00 0.00 C ATOM 696 C LEU A 628 -3.585 5.434 3.953 1.00 0.00 C ATOM 697 O LEU A 628 -2.845 4.500 3.644 1.00 0.00 O ATOM 698 CB LEU A 628 -6.077 5.224 3.431 1.00 0.00 C ATOM 699 CG LEU A 628 -5.613 5.527 2.000 1.00 0.00 C ATOM 700 CD1 LEU A 628 -5.060 4.277 1.335 1.00 0.00 C ATOM 701 CD2 LEU A 628 -6.759 6.102 1.183 1.00 0.00 C ATOM 0 H LEU A 628 -5.989 6.817 5.377 1.00 0.00 H new ATOM 0 HA LEU A 628 -5.004 4.169 4.934 1.00 0.00 H new ATOM 0 HB2 LEU A 628 -6.592 4.263 3.425 1.00 0.00 H new ATOM 0 HB3 LEU A 628 -6.811 5.977 3.717 1.00 0.00 H new ATOM 0 HG LEU A 628 -4.814 6.267 2.049 1.00 0.00 H new ATOM 0 HD11 LEU A 628 -4.737 4.516 0.322 1.00 0.00 H new ATOM 0 HD12 LEU A 628 -4.210 3.906 1.908 1.00 0.00 H new ATOM 0 HD13 LEU A 628 -5.835 3.511 1.298 1.00 0.00 H new ATOM 0 HD21 LEU A 628 -6.415 6.312 0.170 1.00 0.00 H new ATOM 0 HD22 LEU A 628 -7.577 5.382 1.146 1.00 0.00 H new ATOM 0 HD23 LEU A 628 -7.109 7.025 1.646 1.00 0.00 H new ATOM 713 N VAL A 629 -3.227 6.711 3.835 1.00 0.00 N ATOM 714 CA VAL A 629 -1.910 7.099 3.345 1.00 0.00 C ATOM 715 C VAL A 629 -0.840 6.598 4.305 1.00 0.00 C ATOM 716 O VAL A 629 0.177 6.036 3.888 1.00 0.00 O ATOM 717 CB VAL A 629 -1.787 8.633 3.200 1.00 0.00 C ATOM 718 CG1 VAL A 629 -0.389 9.032 2.755 1.00 0.00 C ATOM 719 CG2 VAL A 629 -2.823 9.161 2.220 1.00 0.00 C ATOM 0 H VAL A 629 -3.834 7.495 4.073 1.00 0.00 H new ATOM 0 HA VAL A 629 -1.774 6.651 2.361 1.00 0.00 H new ATOM 0 HB VAL A 629 -1.971 9.077 4.178 1.00 0.00 H new ATOM 0 HG11 VAL A 629 -0.333 10.117 2.662 1.00 0.00 H new ATOM 0 HG12 VAL A 629 0.338 8.693 3.493 1.00 0.00 H new ATOM 0 HG13 VAL A 629 -0.169 8.573 1.791 1.00 0.00 H new ATOM 0 HG21 VAL A 629 -2.721 10.243 2.131 1.00 0.00 H new ATOM 0 HG22 VAL A 629 -2.669 8.700 1.244 1.00 0.00 H new ATOM 0 HG23 VAL A 629 -3.822 8.919 2.582 1.00 0.00 H new ATOM 729 N ALA A 630 -1.091 6.801 5.595 1.00 0.00 N ATOM 730 CA ALA A 630 -0.211 6.320 6.647 1.00 0.00 C ATOM 731 C ALA A 630 -0.134 4.794 6.629 1.00 0.00 C ATOM 732 O ALA A 630 0.934 4.219 6.838 1.00 0.00 O ATOM 733 CB ALA A 630 -0.677 6.832 8.005 1.00 0.00 C ATOM 0 H ALA A 630 -1.910 7.303 5.937 1.00 0.00 H new ATOM 0 HA ALA A 630 0.792 6.707 6.466 1.00 0.00 H new ATOM 0 HB1 ALA A 630 -0.008 6.463 8.782 1.00 0.00 H new ATOM 0 HB2 ALA A 630 -0.668 7.922 8.006 1.00 0.00 H new ATOM 0 HB3 ALA A 630 -1.689 6.478 8.200 1.00 0.00 H new ATOM 739 N TYR A 631 -1.273 4.150 6.377 1.00 0.00 N ATOM 740 CA TYR A 631 -1.336 2.693 6.260 1.00 0.00 C ATOM 741 C TYR A 631 -0.398 2.200 5.154 1.00 0.00 C ATOM 742 O TYR A 631 0.295 1.194 5.320 1.00 0.00 O ATOM 743 CB TYR A 631 -2.781 2.242 5.977 1.00 0.00 C ATOM 744 CG TYR A 631 -2.945 0.755 5.757 1.00 0.00 C ATOM 745 CD1 TYR A 631 -2.713 -0.149 6.788 1.00 0.00 C ATOM 746 CD2 TYR A 631 -3.345 0.257 4.525 1.00 0.00 C ATOM 747 CE1 TYR A 631 -2.874 -1.506 6.593 1.00 0.00 C ATOM 748 CE2 TYR A 631 -3.507 -1.099 4.324 1.00 0.00 C ATOM 749 CZ TYR A 631 -3.271 -1.974 5.359 1.00 0.00 C ATOM 750 OH TYR A 631 -3.436 -3.326 5.159 1.00 0.00 O ATOM 0 H TYR A 631 -2.170 4.618 6.249 1.00 0.00 H new ATOM 0 HA TYR A 631 -1.012 2.257 7.205 1.00 0.00 H new ATOM 0 HB2 TYR A 631 -3.412 2.544 6.813 1.00 0.00 H new ATOM 0 HB3 TYR A 631 -3.146 2.769 5.095 1.00 0.00 H new ATOM 0 HD1 TYR A 631 -2.402 0.216 7.756 1.00 0.00 H new ATOM 0 HD2 TYR A 631 -3.533 0.941 3.711 1.00 0.00 H new ATOM 0 HE1 TYR A 631 -2.690 -2.197 7.403 1.00 0.00 H new ATOM 0 HE2 TYR A 631 -3.818 -1.471 3.359 1.00 0.00 H new ATOM 0 HH TYR A 631 -4.309 -3.491 4.746 1.00 0.00 H new ATOM 760 N ALA A 632 -0.371 2.920 4.035 1.00 0.00 N ATOM 761 CA ALA A 632 0.517 2.581 2.927 1.00 0.00 C ATOM 762 C ALA A 632 1.975 2.735 3.348 1.00 0.00 C ATOM 763 O ALA A 632 2.801 1.858 3.095 1.00 0.00 O ATOM 764 CB ALA A 632 0.212 3.445 1.708 1.00 0.00 C ATOM 0 H ALA A 632 -0.954 3.741 3.872 1.00 0.00 H new ATOM 0 HA ALA A 632 0.346 1.540 2.654 1.00 0.00 H new ATOM 0 HB1 ALA A 632 0.885 3.176 0.894 1.00 0.00 H new ATOM 0 HB2 ALA A 632 -0.819 3.282 1.395 1.00 0.00 H new ATOM 0 HB3 ALA A 632 0.352 4.496 1.962 1.00 0.00 H new ATOM 770 N LYS A 633 2.278 3.862 3.987 1.00 0.00 N ATOM 771 CA LYS A 633 3.592 4.126 4.548 1.00 0.00 C ATOM 772 C LYS A 633 4.039 3.030 5.506 1.00 0.00 C ATOM 773 O LYS A 633 5.142 2.502 5.400 1.00 0.00 O ATOM 774 CB LYS A 633 3.509 5.412 5.345 1.00 0.00 C ATOM 775 CG LYS A 633 3.052 6.633 4.560 1.00 0.00 C ATOM 776 CD LYS A 633 3.893 6.873 3.323 1.00 0.00 C ATOM 777 CE LYS A 633 3.453 8.132 2.584 1.00 0.00 C ATOM 778 NZ LYS A 633 2.296 7.890 1.686 1.00 0.00 N ATOM 0 H LYS A 633 1.611 4.621 4.129 1.00 0.00 H new ATOM 0 HA LYS A 633 4.304 4.182 3.725 1.00 0.00 H new ATOM 0 HB2 LYS A 633 2.825 5.260 6.180 1.00 0.00 H new ATOM 0 HB3 LYS A 633 4.490 5.620 5.771 1.00 0.00 H new ATOM 0 HG2 LYS A 633 2.010 6.504 4.268 1.00 0.00 H new ATOM 0 HG3 LYS A 633 3.097 7.512 5.203 1.00 0.00 H new ATOM 0 HD2 LYS A 633 4.942 6.964 3.607 1.00 0.00 H new ATOM 0 HD3 LYS A 633 3.816 6.013 2.657 1.00 0.00 H new ATOM 0 HE2 LYS A 633 3.191 8.902 3.309 1.00 0.00 H new ATOM 0 HE3 LYS A 633 4.288 8.517 1.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 633 1.737 8.763 1.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 633 2.639 7.601 0.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 633 1.700 7.136 2.084 1.00 0.00 H new ATOM 792 N LYS A 634 3.179 2.723 6.457 1.00 0.00 N ATOM 793 CA LYS A 634 3.459 1.687 7.443 1.00 0.00 C ATOM 794 C LYS A 634 3.770 0.363 6.756 1.00 0.00 C ATOM 795 O LYS A 634 4.752 -0.300 7.092 1.00 0.00 O ATOM 796 CB LYS A 634 2.272 1.529 8.400 1.00 0.00 C ATOM 797 CG LYS A 634 2.497 0.507 9.513 1.00 0.00 C ATOM 798 CD LYS A 634 3.666 0.884 10.419 1.00 0.00 C ATOM 799 CE LYS A 634 3.443 2.222 11.112 1.00 0.00 C ATOM 800 NZ LYS A 634 4.521 2.532 12.089 1.00 0.00 N ATOM 0 H LYS A 634 2.273 3.177 6.572 1.00 0.00 H new ATOM 0 HA LYS A 634 4.334 1.987 8.020 1.00 0.00 H new ATOM 0 HB2 LYS A 634 2.051 2.497 8.850 1.00 0.00 H new ATOM 0 HB3 LYS A 634 1.393 1.236 7.826 1.00 0.00 H new ATOM 0 HG2 LYS A 634 1.590 0.419 10.111 1.00 0.00 H new ATOM 0 HG3 LYS A 634 2.683 -0.472 9.072 1.00 0.00 H new ATOM 0 HD2 LYS A 634 3.808 0.106 11.169 1.00 0.00 H new ATOM 0 HD3 LYS A 634 4.582 0.929 9.829 1.00 0.00 H new ATOM 0 HE2 LYS A 634 3.393 3.013 10.364 1.00 0.00 H new ATOM 0 HE3 LYS A 634 2.482 2.208 11.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 634 4.330 3.451 12.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 634 4.552 1.791 12.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 634 5.436 2.571 11.596 1.00 0.00 H new ATOM 814 N VAL A 635 2.931 -0.014 5.794 1.00 0.00 N ATOM 815 CA VAL A 635 3.171 -1.215 5.004 1.00 0.00 C ATOM 816 C VAL A 635 4.535 -1.170 4.319 1.00 0.00 C ATOM 817 O VAL A 635 5.320 -2.102 4.455 1.00 0.00 O ATOM 818 CB VAL A 635 2.056 -1.443 3.956 1.00 0.00 C ATOM 819 CG1 VAL A 635 2.521 -2.387 2.856 1.00 0.00 C ATOM 820 CG2 VAL A 635 0.819 -2.016 4.626 1.00 0.00 C ATOM 0 H VAL A 635 2.082 0.494 5.545 1.00 0.00 H new ATOM 0 HA VAL A 635 3.162 -2.055 5.699 1.00 0.00 H new ATOM 0 HB VAL A 635 1.816 -0.479 3.507 1.00 0.00 H new ATOM 0 HG11 VAL A 635 1.717 -2.529 2.134 1.00 0.00 H new ATOM 0 HG12 VAL A 635 3.389 -1.960 2.353 1.00 0.00 H new ATOM 0 HG13 VAL A 635 2.791 -3.349 3.292 1.00 0.00 H new ATOM 0 HG21 VAL A 635 0.040 -2.173 3.879 1.00 0.00 H new ATOM 0 HG22 VAL A 635 1.068 -2.967 5.096 1.00 0.00 H new ATOM 0 HG23 VAL A 635 0.460 -1.320 5.384 1.00 0.00 H new ATOM 830 N GLU A 636 4.830 -0.079 3.612 1.00 0.00 N ATOM 831 CA GLU A 636 6.116 0.043 2.913 1.00 0.00 C ATOM 832 C GLU A 636 7.278 -0.074 3.900 1.00 0.00 C ATOM 833 O GLU A 636 8.296 -0.699 3.599 1.00 0.00 O ATOM 834 CB GLU A 636 6.201 1.340 2.068 1.00 0.00 C ATOM 835 CG GLU A 636 6.595 2.627 2.801 1.00 0.00 C ATOM 836 CD GLU A 636 8.095 2.845 2.885 1.00 0.00 C ATOM 837 OE1 GLU A 636 8.746 2.980 1.829 1.00 0.00 O ATOM 838 OE2 GLU A 636 8.626 2.928 4.012 1.00 0.00 O ATOM 0 H GLU A 636 4.209 0.723 3.507 1.00 0.00 H new ATOM 0 HA GLU A 636 6.190 -0.785 2.208 1.00 0.00 H new ATOM 0 HB2 GLU A 636 6.920 1.174 1.266 1.00 0.00 H new ATOM 0 HB3 GLU A 636 5.231 1.502 1.598 1.00 0.00 H new ATOM 0 HG2 GLU A 636 6.141 3.478 2.293 1.00 0.00 H new ATOM 0 HG3 GLU A 636 6.183 2.601 3.810 1.00 0.00 H new ATOM 845 N GLY A 637 7.110 0.515 5.078 1.00 0.00 N ATOM 846 CA GLY A 637 8.125 0.419 6.113 1.00 0.00 C ATOM 847 C GLY A 637 8.322 -1.001 6.605 1.00 0.00 C ATOM 848 O GLY A 637 9.453 -1.468 6.731 1.00 0.00 O ATOM 0 H GLY A 637 6.287 1.059 5.336 1.00 0.00 H new ATOM 0 HA2 GLY A 637 9.070 0.800 5.726 1.00 0.00 H new ATOM 0 HA3 GLY A 637 7.844 1.055 6.952 1.00 0.00 H new ATOM 852 N ASP A 638 7.225 -1.686 6.902 1.00 0.00 N ATOM 853 CA ASP A 638 7.296 -3.071 7.361 1.00 0.00 C ATOM 854 C ASP A 638 7.850 -3.969 6.262 1.00 0.00 C ATOM 855 O ASP A 638 8.755 -4.772 6.502 1.00 0.00 O ATOM 856 CB ASP A 638 5.925 -3.574 7.814 1.00 0.00 C ATOM 857 CG ASP A 638 6.016 -4.914 8.514 1.00 0.00 C ATOM 858 OD1 ASP A 638 6.196 -4.930 9.753 1.00 0.00 O ATOM 859 OD2 ASP A 638 5.916 -5.955 7.840 1.00 0.00 O ATOM 0 H ASP A 638 6.279 -1.309 6.834 1.00 0.00 H new ATOM 0 HA ASP A 638 7.970 -3.105 8.217 1.00 0.00 H new ATOM 0 HB2 ASP A 638 5.475 -2.844 8.486 1.00 0.00 H new ATOM 0 HB3 ASP A 638 5.267 -3.660 6.950 1.00 0.00 H new ATOM 864 N MET A 639 7.326 -3.799 5.049 1.00 0.00 N ATOM 865 CA MET A 639 7.793 -4.556 3.883 1.00 0.00 C ATOM 866 C MET A 639 9.291 -4.364 3.707 1.00 0.00 C ATOM 867 O MET A 639 9.986 -5.277 3.297 1.00 0.00 O ATOM 868 CB MET A 639 7.073 -4.144 2.578 1.00 0.00 C ATOM 869 CG MET A 639 5.559 -4.354 2.576 1.00 0.00 C ATOM 870 SD MET A 639 5.083 -6.090 2.568 1.00 0.00 S ATOM 871 CE MET A 639 3.307 -5.936 2.396 1.00 0.00 C ATOM 0 H MET A 639 6.574 -3.141 4.845 1.00 0.00 H new ATOM 0 HA MET A 639 7.561 -5.604 4.073 1.00 0.00 H new ATOM 0 HB2 MET A 639 7.278 -3.091 2.386 1.00 0.00 H new ATOM 0 HB3 MET A 639 7.503 -4.709 1.751 1.00 0.00 H new ATOM 0 HG2 MET A 639 5.131 -3.871 3.454 1.00 0.00 H new ATOM 0 HG3 MET A 639 5.132 -3.863 1.702 1.00 0.00 H new ATOM 0 HE1 MET A 639 2.893 -6.880 2.041 1.00 0.00 H new ATOM 0 HE2 MET A 639 2.868 -5.688 3.362 1.00 0.00 H new ATOM 0 HE3 MET A 639 3.078 -5.147 1.680 1.00 0.00 H new ATOM 881 N TYR A 640 9.768 -3.159 4.004 1.00 0.00 N ATOM 882 CA TYR A 640 11.180 -2.808 3.807 1.00 0.00 C ATOM 883 C TYR A 640 12.118 -3.829 4.477 1.00 0.00 C ATOM 884 O TYR A 640 13.172 -4.147 3.930 1.00 0.00 O ATOM 885 CB TYR A 640 11.492 -1.380 4.301 1.00 0.00 C ATOM 886 CG TYR A 640 12.654 -0.742 3.575 1.00 0.00 C ATOM 887 CD1 TYR A 640 12.584 -0.519 2.206 1.00 0.00 C ATOM 888 CD2 TYR A 640 13.814 -0.364 4.242 1.00 0.00 C ATOM 889 CE1 TYR A 640 13.633 0.056 1.522 1.00 0.00 C ATOM 890 CE2 TYR A 640 14.868 0.210 3.562 1.00 0.00 C ATOM 891 CZ TYR A 640 14.774 0.420 2.204 1.00 0.00 C ATOM 892 OH TYR A 640 15.829 0.984 1.525 1.00 0.00 O ATOM 0 H TYR A 640 9.199 -2.403 4.384 1.00 0.00 H new ATOM 0 HA TYR A 640 11.362 -2.836 2.733 1.00 0.00 H new ATOM 0 HB2 TYR A 640 10.607 -0.757 4.175 1.00 0.00 H new ATOM 0 HB3 TYR A 640 11.711 -1.411 5.368 1.00 0.00 H new ATOM 0 HD1 TYR A 640 11.691 -0.801 1.668 1.00 0.00 H new ATOM 0 HD2 TYR A 640 13.891 -0.522 5.308 1.00 0.00 H new ATOM 0 HE1 TYR A 640 13.561 0.221 0.457 1.00 0.00 H new ATOM 0 HE2 TYR A 640 15.765 0.494 4.093 1.00 0.00 H new ATOM 0 HH TYR A 640 16.554 1.183 2.154 1.00 0.00 H new ATOM 902 N GLU A 641 11.741 -4.344 5.650 1.00 0.00 N ATOM 903 CA GLU A 641 12.558 -5.383 6.305 1.00 0.00 C ATOM 904 C GLU A 641 12.527 -6.675 5.489 1.00 0.00 C ATOM 905 O GLU A 641 13.555 -7.311 5.255 1.00 0.00 O ATOM 906 CB GLU A 641 12.106 -5.661 7.746 1.00 0.00 C ATOM 907 CG GLU A 641 12.863 -4.819 8.793 1.00 0.00 C ATOM 908 CD GLU A 641 12.487 -3.356 8.745 1.00 0.00 C ATOM 909 OE1 GLU A 641 13.029 -2.623 7.893 1.00 0.00 O ATOM 910 OE2 GLU A 641 11.659 -2.929 9.574 1.00 0.00 O ATOM 0 H GLU A 641 10.900 -4.072 6.159 1.00 0.00 H new ATOM 0 HA GLU A 641 13.579 -5.004 6.351 1.00 0.00 H new ATOM 0 HB2 GLU A 641 11.038 -5.459 7.830 1.00 0.00 H new ATOM 0 HB3 GLU A 641 12.249 -6.719 7.967 1.00 0.00 H new ATOM 0 HG2 GLU A 641 12.655 -5.211 9.788 1.00 0.00 H new ATOM 0 HG3 GLU A 641 13.936 -4.920 8.628 1.00 0.00 H new ATOM 917 N SER A 642 11.330 -7.039 5.062 1.00 0.00 N ATOM 918 CA SER A 642 11.098 -8.220 4.242 1.00 0.00 C ATOM 919 C SER A 642 11.806 -8.082 2.887 1.00 0.00 C ATOM 920 O SER A 642 12.287 -9.059 2.323 1.00 0.00 O ATOM 921 CB SER A 642 9.594 -8.403 4.055 1.00 0.00 C ATOM 922 OG SER A 642 9.241 -9.771 3.955 1.00 0.00 O ATOM 0 H SER A 642 10.480 -6.517 5.277 1.00 0.00 H new ATOM 0 HA SER A 642 11.508 -9.099 4.740 1.00 0.00 H new ATOM 0 HB2 SER A 642 9.065 -7.951 4.894 1.00 0.00 H new ATOM 0 HB3 SER A 642 9.273 -7.878 3.156 1.00 0.00 H new ATOM 0 HG SER A 642 8.271 -9.851 3.838 1.00 0.00 H new ATOM 928 N ALA A 643 11.820 -6.849 2.384 1.00 0.00 N ATOM 929 CA ALA A 643 12.439 -6.439 1.110 1.00 0.00 C ATOM 930 C ALA A 643 13.930 -6.790 0.968 1.00 0.00 C ATOM 931 O ALA A 643 14.653 -6.127 0.222 1.00 0.00 O ATOM 932 CB ALA A 643 12.257 -4.944 0.922 1.00 0.00 C ATOM 0 H ALA A 643 11.382 -6.067 2.871 1.00 0.00 H new ATOM 0 HA ALA A 643 11.926 -7.011 0.337 1.00 0.00 H new ATOM 0 HB1 ALA A 643 12.714 -4.637 -0.019 1.00 0.00 H new ATOM 0 HB2 ALA A 643 11.193 -4.706 0.904 1.00 0.00 H new ATOM 0 HB3 ALA A 643 12.733 -4.413 1.746 1.00 0.00 H new ATOM 938 N ASN A 644 14.398 -7.785 1.700 1.00 0.00 N ATOM 939 CA ASN A 644 15.817 -8.141 1.720 1.00 0.00 C ATOM 940 C ASN A 644 16.244 -8.744 0.371 1.00 0.00 C ATOM 941 O ASN A 644 17.409 -9.090 0.175 1.00 0.00 O ATOM 942 CB ASN A 644 16.092 -9.149 2.858 1.00 0.00 C ATOM 943 CG ASN A 644 17.569 -9.249 3.235 1.00 0.00 C ATOM 944 OD1 ASN A 644 18.289 -8.131 3.196 1.00 0.00 O flip ATOM 945 ND2 ASN A 644 18.054 -10.325 3.584 1.00 0.00 N flip ATOM 0 H ASN A 644 13.813 -8.370 2.297 1.00 0.00 H new ATOM 0 HA ASN A 644 16.398 -7.235 1.894 1.00 0.00 H new ATOM 0 HB2 ASN A 644 15.519 -8.858 3.738 1.00 0.00 H new ATOM 0 HB3 ASN A 644 15.734 -10.133 2.556 1.00 0.00 H new ATOM 0 HD21 ASN A 644 17.474 -11.164 3.603 1.00 0.00 H new ATOM 0 HD22 ASN A 644 19.036 -10.378 3.855 1.00 0.00 H new ATOM 952 N SER A 645 15.296 -8.852 -0.559 1.00 0.00 N ATOM 953 CA SER A 645 15.591 -9.289 -1.915 1.00 0.00 C ATOM 954 C SER A 645 14.625 -8.628 -2.906 1.00 0.00 C ATOM 955 O SER A 645 13.466 -8.379 -2.560 1.00 0.00 O ATOM 956 CB SER A 645 15.529 -10.818 -2.016 1.00 0.00 C ATOM 957 OG SER A 645 14.312 -11.327 -1.495 1.00 0.00 O ATOM 0 H SER A 645 14.312 -8.640 -0.392 1.00 0.00 H new ATOM 0 HA SER A 645 16.605 -8.981 -2.170 1.00 0.00 H new ATOM 0 HB2 SER A 645 15.633 -11.119 -3.058 1.00 0.00 H new ATOM 0 HB3 SER A 645 16.368 -11.253 -1.473 1.00 0.00 H new ATOM 0 HG SER A 645 14.304 -12.304 -1.576 1.00 0.00 H new ATOM 963 N ARG A 646 15.101 -8.317 -4.111 1.00 0.00 N ATOM 964 CA ARG A 646 14.303 -7.565 -5.090 1.00 0.00 C ATOM 965 C ARG A 646 12.962 -8.239 -5.370 1.00 0.00 C ATOM 966 O ARG A 646 11.904 -7.604 -5.280 1.00 0.00 O ATOM 967 CB ARG A 646 15.067 -7.422 -6.413 1.00 0.00 C ATOM 968 CG ARG A 646 16.283 -6.510 -6.350 1.00 0.00 C ATOM 969 CD ARG A 646 15.893 -5.044 -6.234 1.00 0.00 C ATOM 970 NE ARG A 646 15.064 -4.600 -7.358 1.00 0.00 N ATOM 971 CZ ARG A 646 15.013 -3.343 -7.809 1.00 0.00 C ATOM 972 NH1 ARG A 646 15.781 -2.399 -7.276 1.00 0.00 N ATOM 973 NH2 ARG A 646 14.199 -3.035 -8.809 1.00 0.00 N ATOM 0 H ARG A 646 16.033 -8.572 -4.436 1.00 0.00 H new ATOM 0 HA ARG A 646 14.117 -6.582 -4.656 1.00 0.00 H new ATOM 0 HB2 ARG A 646 15.388 -8.411 -6.740 1.00 0.00 H new ATOM 0 HB3 ARG A 646 14.384 -7.042 -7.172 1.00 0.00 H new ATOM 0 HG2 ARG A 646 16.901 -6.789 -5.497 1.00 0.00 H new ATOM 0 HG3 ARG A 646 16.890 -6.654 -7.244 1.00 0.00 H new ATOM 0 HD2 ARG A 646 15.351 -4.887 -5.301 1.00 0.00 H new ATOM 0 HD3 ARG A 646 16.794 -4.433 -6.186 1.00 0.00 H new ATOM 0 HE ARG A 646 14.487 -5.298 -7.828 1.00 0.00 H new ATOM 0 HH11 ARG A 646 16.419 -2.630 -6.514 1.00 0.00 H new ATOM 0 HH12 ARG A 646 15.733 -1.443 -7.629 1.00 0.00 H new ATOM 0 HH21 ARG A 646 13.614 -3.756 -9.231 1.00 0.00 H new ATOM 0 HH22 ARG A 646 14.157 -2.077 -9.156 1.00 0.00 H new ATOM 987 N ASP A 647 13.017 -9.526 -5.679 1.00 0.00 N ATOM 988 CA ASP A 647 11.826 -10.283 -6.052 1.00 0.00 C ATOM 989 C ASP A 647 10.815 -10.310 -4.913 1.00 0.00 C ATOM 990 O ASP A 647 9.616 -10.118 -5.127 1.00 0.00 O ATOM 991 CB ASP A 647 12.207 -11.711 -6.452 1.00 0.00 C ATOM 992 CG ASP A 647 11.012 -12.520 -6.907 1.00 0.00 C ATOM 993 OD1 ASP A 647 10.614 -12.388 -8.085 1.00 0.00 O ATOM 994 OD2 ASP A 647 10.470 -13.296 -6.096 1.00 0.00 O ATOM 0 H ASP A 647 13.878 -10.073 -5.679 1.00 0.00 H new ATOM 0 HA ASP A 647 11.365 -9.786 -6.906 1.00 0.00 H new ATOM 0 HB2 ASP A 647 12.945 -11.676 -7.253 1.00 0.00 H new ATOM 0 HB3 ASP A 647 12.679 -12.209 -5.605 1.00 0.00 H new ATOM 999 N GLU A 648 11.314 -10.520 -3.703 1.00 0.00 N ATOM 1000 CA GLU A 648 10.467 -10.599 -2.519 1.00 0.00 C ATOM 1001 C GLU A 648 9.716 -9.289 -2.306 1.00 0.00 C ATOM 1002 O GLU A 648 8.510 -9.288 -2.058 1.00 0.00 O ATOM 1003 CB GLU A 648 11.320 -10.936 -1.293 1.00 0.00 C ATOM 1004 CG GLU A 648 10.524 -11.258 -0.037 1.00 0.00 C ATOM 1005 CD GLU A 648 11.373 -11.932 1.024 1.00 0.00 C ATOM 1006 OE1 GLU A 648 12.599 -11.686 1.067 1.00 0.00 O ATOM 1007 OE2 GLU A 648 10.822 -12.740 1.803 1.00 0.00 O ATOM 0 H GLU A 648 12.309 -10.640 -3.514 1.00 0.00 H new ATOM 0 HA GLU A 648 9.731 -11.389 -2.665 1.00 0.00 H new ATOM 0 HB2 GLU A 648 11.956 -11.788 -1.532 1.00 0.00 H new ATOM 0 HB3 GLU A 648 11.980 -10.094 -1.083 1.00 0.00 H new ATOM 0 HG2 GLU A 648 10.101 -10.339 0.369 1.00 0.00 H new ATOM 0 HG3 GLU A 648 9.687 -11.907 -0.296 1.00 0.00 H new ATOM 1014 N TYR A 649 10.436 -8.178 -2.440 1.00 0.00 N ATOM 1015 CA TYR A 649 9.861 -6.849 -2.228 1.00 0.00 C ATOM 1016 C TYR A 649 8.652 -6.614 -3.135 1.00 0.00 C ATOM 1017 O TYR A 649 7.586 -6.214 -2.666 1.00 0.00 O ATOM 1018 CB TYR A 649 10.920 -5.761 -2.476 1.00 0.00 C ATOM 1019 CG TYR A 649 10.531 -4.369 -2.001 1.00 0.00 C ATOM 1020 CD1 TYR A 649 9.510 -4.173 -1.074 1.00 0.00 C ATOM 1021 CD2 TYR A 649 11.200 -3.248 -2.476 1.00 0.00 C ATOM 1022 CE1 TYR A 649 9.171 -2.904 -0.641 1.00 0.00 C ATOM 1023 CE2 TYR A 649 10.868 -1.977 -2.045 1.00 0.00 C ATOM 1024 CZ TYR A 649 9.853 -1.810 -1.129 1.00 0.00 C ATOM 1025 OH TYR A 649 9.520 -0.544 -0.699 1.00 0.00 O ATOM 0 H TYR A 649 11.423 -8.170 -2.696 1.00 0.00 H new ATOM 0 HA TYR A 649 9.526 -6.795 -1.192 1.00 0.00 H new ATOM 0 HB2 TYR A 649 11.844 -6.054 -1.978 1.00 0.00 H new ATOM 0 HB3 TYR A 649 11.133 -5.718 -3.544 1.00 0.00 H new ATOM 0 HD1 TYR A 649 8.974 -5.027 -0.687 1.00 0.00 H new ATOM 0 HD2 TYR A 649 11.995 -3.372 -3.196 1.00 0.00 H new ATOM 0 HE1 TYR A 649 8.375 -2.771 0.077 1.00 0.00 H new ATOM 0 HE2 TYR A 649 11.402 -1.119 -2.425 1.00 0.00 H new ATOM 0 HH TYR A 649 10.051 -0.317 0.093 1.00 0.00 H new ATOM 1035 N TYR A 650 8.811 -6.885 -4.428 1.00 0.00 N ATOM 1036 CA TYR A 650 7.772 -6.637 -5.397 1.00 0.00 C ATOM 1037 C TYR A 650 6.590 -7.563 -5.166 1.00 0.00 C ATOM 1038 O TYR A 650 5.434 -7.155 -5.276 1.00 0.00 O ATOM 1039 CB TYR A 650 8.334 -6.813 -6.803 1.00 0.00 C ATOM 1040 CG TYR A 650 9.112 -5.622 -7.311 1.00 0.00 C ATOM 1041 CD1 TYR A 650 10.422 -5.395 -6.914 1.00 0.00 C ATOM 1042 CD2 TYR A 650 8.531 -4.727 -8.200 1.00 0.00 C ATOM 1043 CE1 TYR A 650 11.131 -4.308 -7.387 1.00 0.00 C ATOM 1044 CE2 TYR A 650 9.233 -3.642 -8.681 1.00 0.00 C ATOM 1045 CZ TYR A 650 10.532 -3.437 -8.272 1.00 0.00 C ATOM 1046 OH TYR A 650 11.236 -2.360 -8.755 1.00 0.00 O ATOM 0 H TYR A 650 9.664 -7.281 -4.822 1.00 0.00 H new ATOM 0 HA TYR A 650 7.417 -5.613 -5.285 1.00 0.00 H new ATOM 0 HB2 TYR A 650 8.982 -7.689 -6.816 1.00 0.00 H new ATOM 0 HB3 TYR A 650 7.511 -7.015 -7.489 1.00 0.00 H new ATOM 0 HD1 TYR A 650 10.895 -6.079 -6.224 1.00 0.00 H new ATOM 0 HD2 TYR A 650 7.512 -4.884 -8.520 1.00 0.00 H new ATOM 0 HE1 TYR A 650 12.148 -4.141 -7.065 1.00 0.00 H new ATOM 0 HE2 TYR A 650 8.767 -2.957 -9.374 1.00 0.00 H new ATOM 0 HH TYR A 650 10.669 -1.847 -9.368 1.00 0.00 H new ATOM 1056 N HIS A 651 6.897 -8.811 -4.828 1.00 0.00 N ATOM 1057 CA HIS A 651 5.888 -9.850 -4.694 1.00 0.00 C ATOM 1058 C HIS A 651 4.943 -9.571 -3.537 1.00 0.00 C ATOM 1059 O HIS A 651 3.735 -9.741 -3.665 1.00 0.00 O ATOM 1060 CB HIS A 651 6.555 -11.210 -4.508 1.00 0.00 C ATOM 1061 CG HIS A 651 6.744 -11.964 -5.787 1.00 0.00 C ATOM 1062 ND1 HIS A 651 5.920 -12.994 -6.181 1.00 0.00 N ATOM 1063 CD2 HIS A 651 7.670 -11.836 -6.762 1.00 0.00 C ATOM 1064 CE1 HIS A 651 6.332 -13.466 -7.340 1.00 0.00 C ATOM 1065 NE2 HIS A 651 7.393 -12.781 -7.717 1.00 0.00 N ATOM 0 H HIS A 651 7.848 -9.128 -4.640 1.00 0.00 H new ATOM 0 HA HIS A 651 5.298 -9.858 -5.611 1.00 0.00 H new ATOM 0 HB2 HIS A 651 7.526 -11.067 -4.033 1.00 0.00 H new ATOM 0 HB3 HIS A 651 5.952 -11.811 -3.827 1.00 0.00 H new ATOM 0 HD2 HIS A 651 8.479 -11.121 -6.785 1.00 0.00 H new ATOM 0 HE1 HIS A 651 5.877 -14.277 -7.889 1.00 0.00 H new ATOM 0 HE2 HIS A 651 7.921 -12.929 -8.577 1.00 0.00 H new ATOM 1074 N LEU A 652 5.499 -9.144 -2.411 1.00 0.00 N ATOM 1075 CA LEU A 652 4.707 -8.889 -1.210 1.00 0.00 C ATOM 1076 C LEU A 652 3.691 -7.779 -1.446 1.00 0.00 C ATOM 1077 O LEU A 652 2.508 -7.930 -1.136 1.00 0.00 O ATOM 1078 CB LEU A 652 5.626 -8.512 -0.052 1.00 0.00 C ATOM 1079 CG LEU A 652 6.648 -9.579 0.332 1.00 0.00 C ATOM 1080 CD1 LEU A 652 7.624 -9.025 1.349 1.00 0.00 C ATOM 1081 CD2 LEU A 652 5.956 -10.821 0.876 1.00 0.00 C ATOM 0 H LEU A 652 6.497 -8.966 -2.302 1.00 0.00 H new ATOM 0 HA LEU A 652 4.164 -9.801 -0.962 1.00 0.00 H new ATOM 0 HB2 LEU A 652 6.158 -7.597 -0.313 1.00 0.00 H new ATOM 0 HB3 LEU A 652 5.013 -8.286 0.821 1.00 0.00 H new ATOM 0 HG LEU A 652 7.200 -9.866 -0.563 1.00 0.00 H new ATOM 0 HD11 LEU A 652 8.348 -9.795 1.615 1.00 0.00 H new ATOM 0 HD12 LEU A 652 8.146 -8.168 0.923 1.00 0.00 H new ATOM 0 HD13 LEU A 652 7.082 -8.713 2.241 1.00 0.00 H new ATOM 0 HD21 LEU A 652 6.704 -11.567 1.143 1.00 0.00 H new ATOM 0 HD22 LEU A 652 5.376 -10.557 1.760 1.00 0.00 H new ATOM 0 HD23 LEU A 652 5.291 -11.230 0.115 1.00 0.00 H new ATOM 1093 N LEU A 653 4.156 -6.668 -2.004 1.00 0.00 N ATOM 1094 CA LEU A 653 3.279 -5.547 -2.307 1.00 0.00 C ATOM 1095 C LEU A 653 2.236 -5.947 -3.350 1.00 0.00 C ATOM 1096 O LEU A 653 1.050 -5.664 -3.187 1.00 0.00 O ATOM 1097 CB LEU A 653 4.093 -4.350 -2.802 1.00 0.00 C ATOM 1098 CG LEU A 653 4.926 -3.647 -1.731 1.00 0.00 C ATOM 1099 CD1 LEU A 653 6.192 -3.087 -2.343 1.00 0.00 C ATOM 1100 CD2 LEU A 653 4.126 -2.529 -1.080 1.00 0.00 C ATOM 0 H LEU A 653 5.134 -6.521 -2.255 1.00 0.00 H new ATOM 0 HA LEU A 653 2.760 -5.261 -1.392 1.00 0.00 H new ATOM 0 HB2 LEU A 653 4.759 -4.687 -3.596 1.00 0.00 H new ATOM 0 HB3 LEU A 653 3.411 -3.624 -3.245 1.00 0.00 H new ATOM 0 HG LEU A 653 5.191 -4.376 -0.965 1.00 0.00 H new ATOM 0 HD11 LEU A 653 6.779 -2.588 -1.572 1.00 0.00 H new ATOM 0 HD12 LEU A 653 6.777 -3.899 -2.776 1.00 0.00 H new ATOM 0 HD13 LEU A 653 5.933 -2.371 -3.123 1.00 0.00 H new ATOM 0 HD21 LEU A 653 4.736 -2.040 -0.320 1.00 0.00 H new ATOM 0 HD22 LEU A 653 3.837 -1.800 -1.837 1.00 0.00 H new ATOM 0 HD23 LEU A 653 3.232 -2.944 -0.616 1.00 0.00 H new ATOM 1112 N ALA A 654 2.683 -6.623 -4.408 1.00 0.00 N ATOM 1113 CA ALA A 654 1.785 -7.076 -5.469 1.00 0.00 C ATOM 1114 C ALA A 654 0.736 -8.053 -4.938 1.00 0.00 C ATOM 1115 O ALA A 654 -0.441 -7.964 -5.293 1.00 0.00 O ATOM 1116 CB ALA A 654 2.581 -7.714 -6.596 1.00 0.00 C ATOM 0 H ALA A 654 3.662 -6.869 -4.553 1.00 0.00 H new ATOM 0 HA ALA A 654 1.259 -6.203 -5.856 1.00 0.00 H new ATOM 0 HB1 ALA A 654 1.900 -8.047 -7.379 1.00 0.00 H new ATOM 0 HB2 ALA A 654 3.278 -6.984 -7.007 1.00 0.00 H new ATOM 0 HB3 ALA A 654 3.136 -8.569 -6.211 1.00 0.00 H new ATOM 1122 N GLU A 655 1.169 -8.981 -4.087 1.00 0.00 N ATOM 1123 CA GLU A 655 0.247 -9.942 -3.475 1.00 0.00 C ATOM 1124 C GLU A 655 -0.794 -9.203 -2.646 1.00 0.00 C ATOM 1125 O GLU A 655 -1.979 -9.550 -2.661 1.00 0.00 O ATOM 1126 CB GLU A 655 0.973 -10.988 -2.608 1.00 0.00 C ATOM 1127 CG GLU A 655 0.032 -11.814 -1.748 1.00 0.00 C ATOM 1128 CD GLU A 655 0.729 -12.973 -1.077 1.00 0.00 C ATOM 1129 OE1 GLU A 655 1.274 -13.837 -1.795 1.00 0.00 O ATOM 1130 OE2 GLU A 655 0.727 -13.039 0.169 1.00 0.00 O ATOM 0 H GLU A 655 2.143 -9.090 -3.806 1.00 0.00 H new ATOM 0 HA GLU A 655 -0.242 -10.484 -4.284 1.00 0.00 H new ATOM 0 HB2 GLU A 655 1.542 -11.655 -3.256 1.00 0.00 H new ATOM 0 HB3 GLU A 655 1.691 -10.480 -1.964 1.00 0.00 H new ATOM 0 HG2 GLU A 655 -0.416 -11.174 -0.988 1.00 0.00 H new ATOM 0 HG3 GLU A 655 -0.782 -12.192 -2.366 1.00 0.00 H new ATOM 1137 N LYS A 656 -0.346 -8.174 -1.933 1.00 0.00 N ATOM 1138 CA LYS A 656 -1.245 -7.340 -1.152 1.00 0.00 C ATOM 1139 C LYS A 656 -2.273 -6.652 -2.047 1.00 0.00 C ATOM 1140 O LYS A 656 -3.457 -6.605 -1.718 1.00 0.00 O ATOM 1141 CB LYS A 656 -0.466 -6.281 -0.372 1.00 0.00 C ATOM 1142 CG LYS A 656 -1.370 -5.345 0.407 1.00 0.00 C ATOM 1143 CD LYS A 656 -0.604 -4.196 1.031 1.00 0.00 C ATOM 1144 CE LYS A 656 -1.536 -3.291 1.812 1.00 0.00 C ATOM 1145 NZ LYS A 656 -2.275 -4.048 2.854 1.00 0.00 N ATOM 0 H LYS A 656 0.635 -7.900 -1.882 1.00 0.00 H new ATOM 0 HA LYS A 656 -1.765 -7.992 -0.450 1.00 0.00 H new ATOM 0 HB2 LYS A 656 0.220 -6.774 0.317 1.00 0.00 H new ATOM 0 HB3 LYS A 656 0.142 -5.699 -1.065 1.00 0.00 H new ATOM 0 HG2 LYS A 656 -2.138 -4.949 -0.257 1.00 0.00 H new ATOM 0 HG3 LYS A 656 -1.882 -5.905 1.189 1.00 0.00 H new ATOM 0 HD2 LYS A 656 0.171 -4.585 1.692 1.00 0.00 H new ATOM 0 HD3 LYS A 656 -0.101 -3.623 0.252 1.00 0.00 H new ATOM 0 HE2 LYS A 656 -0.962 -2.491 2.279 1.00 0.00 H new ATOM 0 HE3 LYS A 656 -2.244 -2.820 1.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 656 -2.573 -3.398 3.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 656 -3.113 -4.494 2.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 656 -1.657 -4.783 3.254 1.00 0.00 H new ATOM 1159 N ILE A 657 -1.817 -6.122 -3.178 1.00 0.00 N ATOM 1160 CA ILE A 657 -2.697 -5.411 -4.101 1.00 0.00 C ATOM 1161 C ILE A 657 -3.768 -6.351 -4.648 1.00 0.00 C ATOM 1162 O ILE A 657 -4.946 -5.995 -4.716 1.00 0.00 O ATOM 1163 CB ILE A 657 -1.902 -4.789 -5.276 1.00 0.00 C ATOM 1164 CG1 ILE A 657 -0.875 -3.787 -4.742 1.00 0.00 C ATOM 1165 CG2 ILE A 657 -2.845 -4.110 -6.263 1.00 0.00 C ATOM 1166 CD1 ILE A 657 -0.002 -3.178 -5.819 1.00 0.00 C ATOM 0 H ILE A 657 -0.843 -6.171 -3.478 1.00 0.00 H new ATOM 0 HA ILE A 657 -3.173 -4.605 -3.544 1.00 0.00 H new ATOM 0 HB ILE A 657 -1.376 -5.586 -5.801 1.00 0.00 H new ATOM 0 HG12 ILE A 657 -1.399 -2.988 -4.217 1.00 0.00 H new ATOM 0 HG13 ILE A 657 -0.239 -4.286 -4.011 1.00 0.00 H new ATOM 0 HG21 ILE A 657 -2.267 -3.679 -7.081 1.00 0.00 H new ATOM 0 HG22 ILE A 657 -3.546 -4.844 -6.661 1.00 0.00 H new ATOM 0 HG23 ILE A 657 -3.397 -3.320 -5.754 1.00 0.00 H new ATOM 0 HD11 ILE A 657 0.700 -2.479 -5.366 1.00 0.00 H new ATOM 0 HD12 ILE A 657 0.550 -3.967 -6.329 1.00 0.00 H new ATOM 0 HD13 ILE A 657 -0.627 -2.649 -6.538 1.00 0.00 H new ATOM 1178 N TYR A 658 -3.354 -7.556 -5.024 1.00 0.00 N ATOM 1179 CA TYR A 658 -4.290 -8.560 -5.529 1.00 0.00 C ATOM 1180 C TYR A 658 -5.258 -8.962 -4.416 1.00 0.00 C ATOM 1181 O TYR A 658 -6.445 -9.166 -4.662 1.00 0.00 O ATOM 1182 CB TYR A 658 -3.558 -9.791 -6.096 1.00 0.00 C ATOM 1183 CG TYR A 658 -4.264 -10.447 -7.268 1.00 0.00 C ATOM 1184 CD1 TYR A 658 -4.690 -9.689 -8.356 1.00 0.00 C ATOM 1185 CD2 TYR A 658 -4.490 -11.820 -7.303 1.00 0.00 C ATOM 1186 CE1 TYR A 658 -5.320 -10.277 -9.432 1.00 0.00 C ATOM 1187 CE2 TYR A 658 -5.117 -12.414 -8.381 1.00 0.00 C ATOM 1188 CZ TYR A 658 -5.529 -11.637 -9.441 1.00 0.00 C ATOM 1189 OH TYR A 658 -6.145 -12.223 -10.524 1.00 0.00 O ATOM 0 H TYR A 658 -2.382 -7.863 -4.990 1.00 0.00 H new ATOM 0 HA TYR A 658 -4.853 -8.121 -6.353 1.00 0.00 H new ATOM 0 HB2 TYR A 658 -2.557 -9.493 -6.409 1.00 0.00 H new ATOM 0 HB3 TYR A 658 -3.437 -10.527 -5.301 1.00 0.00 H new ATOM 0 HD1 TYR A 658 -4.524 -8.622 -8.357 1.00 0.00 H new ATOM 0 HD2 TYR A 658 -4.169 -12.432 -6.473 1.00 0.00 H new ATOM 0 HE1 TYR A 658 -5.648 -9.673 -10.265 1.00 0.00 H new ATOM 0 HE2 TYR A 658 -5.283 -13.481 -8.393 1.00 0.00 H new ATOM 0 HH TYR A 658 -6.217 -13.189 -10.376 1.00 0.00 H new ATOM 1199 N LYS A 659 -4.736 -9.072 -3.187 1.00 0.00 N ATOM 1200 CA LYS A 659 -5.551 -9.341 -2.017 1.00 0.00 C ATOM 1201 C LYS A 659 -6.650 -8.290 -1.887 1.00 0.00 C ATOM 1202 O LYS A 659 -7.823 -8.617 -1.696 1.00 0.00 O ATOM 1203 CB LYS A 659 -4.664 -9.313 -0.770 1.00 0.00 C ATOM 1204 CG LYS A 659 -5.362 -9.797 0.478 1.00 0.00 C ATOM 1205 CD LYS A 659 -5.543 -11.300 0.448 1.00 0.00 C ATOM 1206 CE LYS A 659 -4.266 -12.026 0.837 1.00 0.00 C ATOM 1207 NZ LYS A 659 -4.468 -13.497 0.935 1.00 0.00 N ATOM 0 H LYS A 659 -3.740 -8.976 -2.987 1.00 0.00 H new ATOM 0 HA LYS A 659 -6.014 -10.322 -2.120 1.00 0.00 H new ATOM 0 HB2 LYS A 659 -3.783 -9.931 -0.947 1.00 0.00 H new ATOM 0 HB3 LYS A 659 -4.312 -8.294 -0.608 1.00 0.00 H new ATOM 0 HG2 LYS A 659 -4.782 -9.514 1.357 1.00 0.00 H new ATOM 0 HG3 LYS A 659 -6.334 -9.311 0.567 1.00 0.00 H new ATOM 0 HD2 LYS A 659 -6.345 -11.584 1.129 1.00 0.00 H new ATOM 0 HD3 LYS A 659 -5.848 -11.610 -0.551 1.00 0.00 H new ATOM 0 HE2 LYS A 659 -3.490 -11.815 0.101 1.00 0.00 H new ATOM 0 HE3 LYS A 659 -3.909 -11.645 1.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 659 -3.573 -13.953 1.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 659 -5.189 -13.701 1.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 659 -4.783 -13.866 0.015 1.00 0.00 H new ATOM 1221 N ILE A 660 -6.244 -7.030 -1.998 1.00 0.00 N ATOM 1222 CA ILE A 660 -7.164 -5.900 -1.945 1.00 0.00 C ATOM 1223 C ILE A 660 -8.200 -5.994 -3.058 1.00 0.00 C ATOM 1224 O ILE A 660 -9.399 -5.886 -2.808 1.00 0.00 O ATOM 1225 CB ILE A 660 -6.400 -4.562 -2.065 1.00 0.00 C ATOM 1226 CG1 ILE A 660 -5.462 -4.380 -0.869 1.00 0.00 C ATOM 1227 CG2 ILE A 660 -7.368 -3.391 -2.191 1.00 0.00 C ATOM 1228 CD1 ILE A 660 -4.589 -3.147 -0.959 1.00 0.00 C ATOM 0 H ILE A 660 -5.268 -6.763 -2.127 1.00 0.00 H new ATOM 0 HA ILE A 660 -7.672 -5.933 -0.981 1.00 0.00 H new ATOM 0 HB ILE A 660 -5.796 -4.587 -2.972 1.00 0.00 H new ATOM 0 HG12 ILE A 660 -6.057 -4.327 0.043 1.00 0.00 H new ATOM 0 HG13 ILE A 660 -4.824 -5.260 -0.782 1.00 0.00 H new ATOM 0 HG21 ILE A 660 -6.805 -2.461 -2.274 1.00 0.00 H new ATOM 0 HG22 ILE A 660 -7.985 -3.523 -3.080 1.00 0.00 H new ATOM 0 HG23 ILE A 660 -8.007 -3.351 -1.309 1.00 0.00 H new ATOM 0 HD11 ILE A 660 -3.953 -3.087 -0.076 1.00 0.00 H new ATOM 0 HD12 ILE A 660 -3.966 -3.206 -1.852 1.00 0.00 H new ATOM 0 HD13 ILE A 660 -5.218 -2.259 -1.014 1.00 0.00 H new ATOM 1240 N GLN A 661 -7.730 -6.221 -4.280 1.00 0.00 N ATOM 1241 CA GLN A 661 -8.617 -6.333 -5.444 1.00 0.00 C ATOM 1242 C GLN A 661 -9.616 -7.468 -5.260 1.00 0.00 C ATOM 1243 O GLN A 661 -10.779 -7.350 -5.652 1.00 0.00 O ATOM 1244 CB GLN A 661 -7.839 -6.524 -6.760 1.00 0.00 C ATOM 1245 CG GLN A 661 -7.086 -5.276 -7.226 1.00 0.00 C ATOM 1246 CD GLN A 661 -6.400 -5.478 -8.563 1.00 0.00 C ATOM 1247 OE1 GLN A 661 -5.983 -6.585 -8.905 1.00 0.00 O ATOM 1248 NE2 GLN A 661 -6.282 -4.407 -9.332 1.00 0.00 N ATOM 0 H GLN A 661 -6.739 -6.332 -4.495 1.00 0.00 H new ATOM 0 HA GLN A 661 -9.157 -5.389 -5.515 1.00 0.00 H new ATOM 0 HB2 GLN A 661 -7.127 -7.339 -6.634 1.00 0.00 H new ATOM 0 HB3 GLN A 661 -8.536 -6.828 -7.541 1.00 0.00 H new ATOM 0 HG2 GLN A 661 -7.783 -4.442 -7.301 1.00 0.00 H new ATOM 0 HG3 GLN A 661 -6.342 -5.003 -6.477 1.00 0.00 H new ATOM 0 HE21 GLN A 661 -6.641 -3.507 -9.012 1.00 0.00 H new ATOM 0 HE22 GLN A 661 -5.832 -4.481 -10.244 1.00 0.00 H new ATOM 1257 N LYS A 662 -9.160 -8.567 -4.669 1.00 0.00 N ATOM 1258 CA LYS A 662 -10.032 -9.695 -4.385 1.00 0.00 C ATOM 1259 C LYS A 662 -11.131 -9.281 -3.413 1.00 0.00 C ATOM 1260 O LYS A 662 -12.298 -9.596 -3.618 1.00 0.00 O ATOM 1261 CB LYS A 662 -9.235 -10.866 -3.801 1.00 0.00 C ATOM 1262 CG LYS A 662 -10.106 -12.017 -3.313 1.00 0.00 C ATOM 1263 CD LYS A 662 -10.934 -12.619 -4.439 1.00 0.00 C ATOM 1264 CE LYS A 662 -11.958 -13.612 -3.910 1.00 0.00 C ATOM 1265 NZ LYS A 662 -11.317 -14.732 -3.173 1.00 0.00 N ATOM 0 H LYS A 662 -8.191 -8.698 -4.378 1.00 0.00 H new ATOM 0 HA LYS A 662 -10.486 -10.017 -5.322 1.00 0.00 H new ATOM 0 HB2 LYS A 662 -8.546 -11.239 -4.559 1.00 0.00 H new ATOM 0 HB3 LYS A 662 -8.629 -10.503 -2.971 1.00 0.00 H new ATOM 0 HG2 LYS A 662 -9.474 -12.789 -2.874 1.00 0.00 H new ATOM 0 HG3 LYS A 662 -10.769 -11.661 -2.525 1.00 0.00 H new ATOM 0 HD2 LYS A 662 -11.444 -11.823 -4.982 1.00 0.00 H new ATOM 0 HD3 LYS A 662 -10.275 -13.118 -5.150 1.00 0.00 H new ATOM 0 HE2 LYS A 662 -12.656 -13.096 -3.251 1.00 0.00 H new ATOM 0 HE3 LYS A 662 -12.540 -14.011 -4.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 662 -12.035 -15.445 -2.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 662 -10.584 -15.166 -3.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 662 -10.883 -14.370 -2.300 1.00 0.00 H new ATOM 1279 N GLU A 663 -10.749 -8.566 -2.362 1.00 0.00 N ATOM 1280 CA GLU A 663 -11.707 -8.087 -1.374 1.00 0.00 C ATOM 1281 C GLU A 663 -12.677 -7.088 -1.999 1.00 0.00 C ATOM 1282 O GLU A 663 -13.867 -7.088 -1.683 1.00 0.00 O ATOM 1283 CB GLU A 663 -10.993 -7.467 -0.173 1.00 0.00 C ATOM 1284 CG GLU A 663 -10.193 -8.476 0.639 1.00 0.00 C ATOM 1285 CD GLU A 663 -11.036 -9.648 1.108 1.00 0.00 C ATOM 1286 OE1 GLU A 663 -11.873 -9.461 2.013 1.00 0.00 O ATOM 1287 OE2 GLU A 663 -10.869 -10.765 0.572 1.00 0.00 O ATOM 0 H GLU A 663 -9.781 -8.305 -2.172 1.00 0.00 H new ATOM 0 HA GLU A 663 -12.280 -8.944 -1.020 1.00 0.00 H new ATOM 0 HB2 GLU A 663 -10.324 -6.681 -0.523 1.00 0.00 H new ATOM 0 HB3 GLU A 663 -11.731 -6.993 0.475 1.00 0.00 H new ATOM 0 HG2 GLU A 663 -9.365 -8.847 0.036 1.00 0.00 H new ATOM 0 HG3 GLU A 663 -9.758 -7.977 1.505 1.00 0.00 H new ATOM 1294 N LEU A 664 -12.163 -6.236 -2.880 1.00 0.00 N ATOM 1295 CA LEU A 664 -13.002 -5.287 -3.602 1.00 0.00 C ATOM 1296 C LEU A 664 -14.028 -6.031 -4.456 1.00 0.00 C ATOM 1297 O LEU A 664 -15.185 -5.629 -4.554 1.00 0.00 O ATOM 1298 CB LEU A 664 -12.150 -4.375 -4.491 1.00 0.00 C ATOM 1299 CG LEU A 664 -11.126 -3.504 -3.758 1.00 0.00 C ATOM 1300 CD1 LEU A 664 -10.340 -2.666 -4.752 1.00 0.00 C ATOM 1301 CD2 LEU A 664 -11.808 -2.613 -2.732 1.00 0.00 C ATOM 0 H LEU A 664 -11.171 -6.183 -3.111 1.00 0.00 H new ATOM 0 HA LEU A 664 -13.525 -4.671 -2.871 1.00 0.00 H new ATOM 0 HB2 LEU A 664 -11.621 -4.995 -5.215 1.00 0.00 H new ATOM 0 HB3 LEU A 664 -12.816 -3.723 -5.056 1.00 0.00 H new ATOM 0 HG LEU A 664 -10.434 -4.160 -3.230 1.00 0.00 H new ATOM 0 HD11 LEU A 664 -9.616 -2.052 -4.217 1.00 0.00 H new ATOM 0 HD12 LEU A 664 -9.816 -3.322 -5.447 1.00 0.00 H new ATOM 0 HD13 LEU A 664 -11.023 -2.022 -5.306 1.00 0.00 H new ATOM 0 HD21 LEU A 664 -11.060 -2.004 -2.225 1.00 0.00 H new ATOM 0 HD22 LEU A 664 -12.525 -1.963 -3.234 1.00 0.00 H new ATOM 0 HD23 LEU A 664 -12.328 -3.232 -2.001 1.00 0.00 H new ATOM 1313 N GLU A 665 -13.590 -7.108 -5.088 1.00 0.00 N ATOM 1314 CA GLU A 665 -14.489 -7.965 -5.846 1.00 0.00 C ATOM 1315 C GLU A 665 -15.467 -8.669 -4.898 1.00 0.00 C ATOM 1316 O GLU A 665 -16.664 -8.776 -5.176 1.00 0.00 O ATOM 1317 CB GLU A 665 -13.685 -8.991 -6.646 1.00 0.00 C ATOM 1318 CG GLU A 665 -14.421 -9.525 -7.863 1.00 0.00 C ATOM 1319 CD GLU A 665 -14.762 -8.430 -8.853 1.00 0.00 C ATOM 1320 OE1 GLU A 665 -13.881 -8.049 -9.651 1.00 0.00 O ATOM 1321 OE2 GLU A 665 -15.913 -7.940 -8.838 1.00 0.00 O ATOM 0 H GLU A 665 -12.616 -7.410 -5.091 1.00 0.00 H new ATOM 0 HA GLU A 665 -15.061 -7.353 -6.543 1.00 0.00 H new ATOM 0 HB2 GLU A 665 -12.749 -8.535 -6.969 1.00 0.00 H new ATOM 0 HB3 GLU A 665 -13.425 -9.825 -5.994 1.00 0.00 H new ATOM 0 HG2 GLU A 665 -13.806 -10.279 -8.355 1.00 0.00 H new ATOM 0 HG3 GLU A 665 -15.337 -10.021 -7.543 1.00 0.00 H new ATOM 1328 N GLU A 666 -14.932 -9.125 -3.768 1.00 0.00 N ATOM 1329 CA GLU A 666 -15.691 -9.875 -2.771 1.00 0.00 C ATOM 1330 C GLU A 666 -16.843 -9.049 -2.203 1.00 0.00 C ATOM 1331 O GLU A 666 -17.943 -9.560 -2.003 1.00 0.00 O ATOM 1332 CB GLU A 666 -14.761 -10.308 -1.635 1.00 0.00 C ATOM 1333 CG GLU A 666 -15.376 -11.312 -0.676 1.00 0.00 C ATOM 1334 CD GLU A 666 -15.557 -12.679 -1.302 1.00 0.00 C ATOM 1335 OE1 GLU A 666 -14.565 -13.433 -1.374 1.00 0.00 O ATOM 1336 OE2 GLU A 666 -16.687 -13.007 -1.723 1.00 0.00 O ATOM 0 H GLU A 666 -13.954 -8.984 -3.517 1.00 0.00 H new ATOM 0 HA GLU A 666 -16.115 -10.752 -3.261 1.00 0.00 H new ATOM 0 HB2 GLU A 666 -13.857 -10.740 -2.065 1.00 0.00 H new ATOM 0 HB3 GLU A 666 -14.457 -9.425 -1.073 1.00 0.00 H new ATOM 0 HG2 GLU A 666 -14.742 -11.401 0.206 1.00 0.00 H new ATOM 0 HG3 GLU A 666 -16.343 -10.940 -0.338 1.00 0.00 H new ATOM 1531 N LEU B 845 -7.289 -5.326 4.244 1.00 0.00 N ATOM 1532 CA LEU B 845 -7.742 -4.033 4.730 1.00 0.00 C ATOM 1533 C LEU B 845 -8.798 -4.184 5.813 1.00 0.00 C ATOM 1534 O LEU B 845 -9.767 -4.928 5.649 1.00 0.00 O ATOM 1535 CB LEU B 845 -8.296 -3.223 3.570 1.00 0.00 C ATOM 1536 CG LEU B 845 -7.252 -2.794 2.551 1.00 0.00 C ATOM 1537 CD1 LEU B 845 -7.827 -2.878 1.153 1.00 0.00 C ATOM 1538 CD2 LEU B 845 -6.773 -1.387 2.856 1.00 0.00 C ATOM 0 HA LEU B 845 -6.890 -3.514 5.169 1.00 0.00 H new ATOM 0 HB2 LEU B 845 -9.061 -3.812 3.063 1.00 0.00 H new ATOM 0 HB3 LEU B 845 -8.788 -2.334 3.965 1.00 0.00 H new ATOM 0 HG LEU B 845 -6.396 -3.466 2.611 1.00 0.00 H new ATOM 0 HD11 LEU B 845 -7.072 -2.569 0.430 1.00 0.00 H new ATOM 0 HD12 LEU B 845 -8.130 -3.904 0.945 1.00 0.00 H new ATOM 0 HD13 LEU B 845 -8.694 -2.221 1.076 1.00 0.00 H new ATOM 0 HD21 LEU B 845 -6.026 -1.090 2.120 1.00 0.00 H new ATOM 0 HD22 LEU B 845 -7.617 -0.698 2.815 1.00 0.00 H new ATOM 0 HD23 LEU B 845 -6.332 -1.361 3.852 1.00 0.00 H new ATOM 1550 N PRO B 846 -8.605 -3.482 6.939 1.00 0.00 N ATOM 1551 CA PRO B 846 -9.533 -3.520 8.065 1.00 0.00 C ATOM 1552 C PRO B 846 -10.827 -2.756 7.788 1.00 0.00 C ATOM 1553 O PRO B 846 -10.937 -2.043 6.784 1.00 0.00 O ATOM 1554 CB PRO B 846 -8.745 -2.864 9.198 1.00 0.00 C ATOM 1555 CG PRO B 846 -7.786 -1.954 8.516 1.00 0.00 C ATOM 1556 CD PRO B 846 -7.451 -2.603 7.203 1.00 0.00 C ATOM 0 HA PRO B 846 -9.857 -4.536 8.290 1.00 0.00 H new ATOM 0 HB2 PRO B 846 -9.403 -2.313 9.870 1.00 0.00 H new ATOM 0 HB3 PRO B 846 -8.224 -3.608 9.800 1.00 0.00 H new ATOM 0 HG2 PRO B 846 -8.227 -0.969 8.362 1.00 0.00 H new ATOM 0 HG3 PRO B 846 -6.889 -1.811 9.119 1.00 0.00 H new ATOM 0 HD2 PRO B 846 -7.323 -1.863 6.413 1.00 0.00 H new ATOM 0 HD3 PRO B 846 -6.522 -3.170 7.263 1.00 0.00 H new ATOM 1564 N SER B 847 -11.782 -2.895 8.694 1.00 0.00 N ATOM 1565 CA SER B 847 -13.146 -2.433 8.471 1.00 0.00 C ATOM 1566 C SER B 847 -13.233 -0.946 8.106 1.00 0.00 C ATOM 1567 O SER B 847 -13.856 -0.593 7.102 1.00 0.00 O ATOM 1568 CB SER B 847 -13.973 -2.710 9.726 1.00 0.00 C ATOM 1569 OG SER B 847 -13.852 -4.068 10.114 1.00 0.00 O ATOM 0 H SER B 847 -11.635 -3.331 9.604 1.00 0.00 H new ATOM 0 HA SER B 847 -13.539 -2.981 7.615 1.00 0.00 H new ATOM 0 HB2 SER B 847 -13.640 -2.063 10.538 1.00 0.00 H new ATOM 0 HB3 SER B 847 -15.020 -2.472 9.538 1.00 0.00 H new ATOM 0 HG SER B 847 -14.386 -4.227 10.920 1.00 0.00 H new ATOM 1575 N ASP B 848 -12.588 -0.088 8.893 1.00 0.00 N ATOM 1576 CA ASP B 848 -12.767 1.361 8.749 1.00 0.00 C ATOM 1577 C ASP B 848 -12.255 1.867 7.404 1.00 0.00 C ATOM 1578 O ASP B 848 -12.886 2.716 6.773 1.00 0.00 O ATOM 1579 CB ASP B 848 -12.076 2.119 9.881 1.00 0.00 C ATOM 1580 CG ASP B 848 -12.574 3.547 9.990 1.00 0.00 C ATOM 1581 OD1 ASP B 848 -13.604 3.766 10.668 1.00 0.00 O ATOM 1582 OD2 ASP B 848 -11.951 4.454 9.402 1.00 0.00 O ATOM 0 H ASP B 848 -11.941 -0.364 9.632 1.00 0.00 H new ATOM 0 HA ASP B 848 -13.839 1.549 8.799 1.00 0.00 H new ATOM 0 HB2 ASP B 848 -12.249 1.601 10.824 1.00 0.00 H new ATOM 0 HB3 ASP B 848 -10.999 2.122 9.712 1.00 0.00 H new ATOM 1587 N ILE B 849 -11.115 1.345 6.964 1.00 0.00 N ATOM 1588 CA ILE B 849 -10.537 1.757 5.689 1.00 0.00 C ATOM 1589 C ILE B 849 -11.473 1.370 4.550 1.00 0.00 C ATOM 1590 O ILE B 849 -11.694 2.140 3.614 1.00 0.00 O ATOM 1591 CB ILE B 849 -9.148 1.121 5.449 1.00 0.00 C ATOM 1592 CG1 ILE B 849 -8.262 1.273 6.693 1.00 0.00 C ATOM 1593 CG2 ILE B 849 -8.473 1.768 4.242 1.00 0.00 C ATOM 1594 CD1 ILE B 849 -8.009 2.710 7.111 1.00 0.00 C ATOM 0 H ILE B 849 -10.576 0.640 7.467 1.00 0.00 H new ATOM 0 HA ILE B 849 -10.409 2.839 5.722 1.00 0.00 H new ATOM 0 HB ILE B 849 -9.286 0.058 5.250 1.00 0.00 H new ATOM 0 HG12 ILE B 849 -8.728 0.743 7.523 1.00 0.00 H new ATOM 0 HG13 ILE B 849 -7.304 0.789 6.503 1.00 0.00 H new ATOM 0 HG21 ILE B 849 -7.496 1.312 4.084 1.00 0.00 H new ATOM 0 HG22 ILE B 849 -9.091 1.619 3.356 1.00 0.00 H new ATOM 0 HG23 ILE B 849 -8.350 2.836 4.423 1.00 0.00 H new ATOM 0 HD11 ILE B 849 -7.375 2.725 7.997 1.00 0.00 H new ATOM 0 HD12 ILE B 849 -7.512 3.243 6.300 1.00 0.00 H new ATOM 0 HD13 ILE B 849 -8.958 3.196 7.336 1.00 0.00 H new ATOM 1606 N MET B 850 -12.034 0.170 4.652 1.00 0.00 N ATOM 1607 CA MET B 850 -13.014 -0.306 3.687 1.00 0.00 C ATOM 1608 C MET B 850 -14.268 0.561 3.731 1.00 0.00 C ATOM 1609 O MET B 850 -14.857 0.873 2.700 1.00 0.00 O ATOM 1610 CB MET B 850 -13.376 -1.773 3.960 1.00 0.00 C ATOM 1611 CG MET B 850 -12.217 -2.752 3.793 1.00 0.00 C ATOM 1612 SD MET B 850 -11.955 -3.302 2.088 1.00 0.00 S ATOM 1613 CE MET B 850 -11.363 -1.813 1.284 1.00 0.00 C ATOM 0 H MET B 850 -11.824 -0.493 5.398 1.00 0.00 H new ATOM 0 HA MET B 850 -12.574 -0.237 2.692 1.00 0.00 H new ATOM 0 HB2 MET B 850 -13.762 -1.856 4.976 1.00 0.00 H new ATOM 0 HB3 MET B 850 -14.183 -2.066 3.288 1.00 0.00 H new ATOM 0 HG2 MET B 850 -11.303 -2.282 4.156 1.00 0.00 H new ATOM 0 HG3 MET B 850 -12.399 -3.624 4.421 1.00 0.00 H new ATOM 0 HE1 MET B 850 -10.765 -2.083 0.414 1.00 0.00 H new ATOM 0 HE2 MET B 850 -12.213 -1.208 0.967 1.00 0.00 H new ATOM 0 HE3 MET B 850 -10.751 -1.241 1.982 1.00 0.00 H new