USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 656 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 547 HIS :FLIP no HD1:sc= -4.88! C(o=-7.9!,f=-4.9!) USER MOD Set 1.2: A 587 GLN : amide:sc= -0.0517 K(o=-4.9,f=-6.7!) USER MOD Set 2.1: A 575 HIS :FLIP no HD1:sc= -0.286 F(o=-0.98,f=-0.29) USER MOD Set 2.2: A 624 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 543 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 545 CYS SG : rot -125:sc= -0.402 USER MOD Single : A 549 THR OG1 : rot 180:sc= 0 USER MOD Single : A 550 ASN : amide:sc= -0.421 K(o=-0.42,f=-2.1) USER MOD Single : A 554 SER OG : rot 180:sc= -0.102 USER MOD Single : A 556 THR OG1 : rot 180:sc= 0 USER MOD Single : A 557 LYS NZ :NH3+ -152:sc= 1.3 (180deg=1.08) USER MOD Single : A 558 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 562 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 572 ASN : amide:sc= -3.51! C(o=-3.5!,f=-9.2!) USER MOD Single : A 591 GLN : amide:sc= -0.193 K(o=-0.19,f=-2.4!) USER MOD Single : A 593 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0345) USER MOD Single : A 594 ASN : amide:sc= -0.102 X(o=-0.1,f=-0.084) USER MOD Single : A 600 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 601 SER OG : rot -58:sc= -0.284 USER MOD Single : A 605 HIS : no HD1:sc= -1.84! C(o=-1.8!,f=-5.5!) USER MOD Single : A 607 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 608 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 610 ASN : amide:sc= -0.353 K(o=-0.35,f=-2.4!) USER MOD Single : A 617 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 620 THR OG1 : rot 180:sc= 0 USER MOD Single : A 629 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 141 N ALA A 542 3.791 15.040 -1.456 1.00 0.00 N ATOM 142 CA ALA A 542 4.342 14.101 -2.424 1.00 0.00 C ATOM 143 C ALA A 542 3.714 12.721 -2.268 1.00 0.00 C ATOM 144 O ALA A 542 3.211 12.372 -1.199 1.00 0.00 O ATOM 145 CB ALA A 542 5.853 14.015 -2.275 1.00 0.00 C ATOM 0 HA ALA A 542 4.107 14.468 -3.423 1.00 0.00 H new ATOM 0 HB1 ALA A 542 6.251 13.310 -3.005 1.00 0.00 H new ATOM 0 HB2 ALA A 542 6.292 14.998 -2.444 1.00 0.00 H new ATOM 0 HB3 ALA A 542 6.101 13.675 -1.269 1.00 0.00 H new ATOM 151 N LYS A 543 3.743 11.937 -3.341 1.00 0.00 N ATOM 152 CA LYS A 543 3.178 10.593 -3.324 1.00 0.00 C ATOM 153 C LYS A 543 4.261 9.550 -3.068 1.00 0.00 C ATOM 154 O LYS A 543 4.811 8.971 -4.005 1.00 0.00 O ATOM 155 CB LYS A 543 2.472 10.299 -4.650 1.00 0.00 C ATOM 156 CG LYS A 543 1.123 10.983 -4.787 1.00 0.00 C ATOM 157 CD LYS A 543 0.802 11.295 -6.239 1.00 0.00 C ATOM 158 CE LYS A 543 1.430 12.608 -6.679 1.00 0.00 C ATOM 159 NZ LYS A 543 0.582 13.777 -6.316 1.00 0.00 N ATOM 0 H LYS A 543 4.153 12.210 -4.234 1.00 0.00 H new ATOM 0 HA LYS A 543 2.451 10.541 -2.513 1.00 0.00 H new ATOM 0 HB2 LYS A 543 3.115 10.615 -5.472 1.00 0.00 H new ATOM 0 HB3 LYS A 543 2.335 9.222 -4.748 1.00 0.00 H new ATOM 0 HG2 LYS A 543 0.345 10.343 -4.371 1.00 0.00 H new ATOM 0 HG3 LYS A 543 1.121 11.906 -4.206 1.00 0.00 H new ATOM 0 HD2 LYS A 543 1.164 10.487 -6.874 1.00 0.00 H new ATOM 0 HD3 LYS A 543 -0.279 11.345 -6.371 1.00 0.00 H new ATOM 0 HE2 LYS A 543 2.412 12.714 -6.217 1.00 0.00 H new ATOM 0 HE3 LYS A 543 1.585 12.593 -7.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 543 1.044 14.653 -6.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 543 -0.346 13.689 -6.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 543 0.455 13.806 -5.284 1.00 0.00 H new ATOM 173 N VAL A 544 4.560 9.315 -1.795 1.00 0.00 N ATOM 174 CA VAL A 544 5.574 8.339 -1.417 1.00 0.00 C ATOM 175 C VAL A 544 4.968 7.207 -0.595 1.00 0.00 C ATOM 176 O VAL A 544 5.640 6.608 0.246 1.00 0.00 O ATOM 177 CB VAL A 544 6.709 8.994 -0.607 1.00 0.00 C ATOM 178 CG1 VAL A 544 7.413 10.056 -1.438 1.00 0.00 C ATOM 179 CG2 VAL A 544 6.168 9.589 0.685 1.00 0.00 C ATOM 0 H VAL A 544 4.115 9.787 -1.008 1.00 0.00 H new ATOM 0 HA VAL A 544 5.984 7.934 -2.342 1.00 0.00 H new ATOM 0 HB VAL A 544 7.438 8.225 -0.349 1.00 0.00 H new ATOM 0 HG11 VAL A 544 8.212 10.508 -0.850 1.00 0.00 H new ATOM 0 HG12 VAL A 544 7.836 9.597 -2.332 1.00 0.00 H new ATOM 0 HG13 VAL A 544 6.697 10.825 -1.728 1.00 0.00 H new ATOM 0 HG21 VAL A 544 6.984 10.047 1.244 1.00 0.00 H new ATOM 0 HG22 VAL A 544 5.418 10.345 0.451 1.00 0.00 H new ATOM 0 HG23 VAL A 544 5.714 8.801 1.286 1.00 0.00 H new ATOM 189 N CYS A 545 3.696 6.917 -0.844 1.00 0.00 N ATOM 190 CA CYS A 545 2.999 5.856 -0.127 1.00 0.00 C ATOM 191 C CYS A 545 2.094 5.067 -1.069 1.00 0.00 C ATOM 192 O CYS A 545 1.429 5.641 -1.930 1.00 0.00 O ATOM 193 CB CYS A 545 2.174 6.442 1.019 1.00 0.00 C ATOM 194 SG CYS A 545 3.160 6.994 2.431 1.00 0.00 S ATOM 0 H CYS A 545 3.126 7.402 -1.537 1.00 0.00 H new ATOM 0 HA CYS A 545 3.747 5.177 0.284 1.00 0.00 H new ATOM 0 HB2 CYS A 545 1.595 7.285 0.642 1.00 0.00 H new ATOM 0 HB3 CYS A 545 1.460 5.692 1.359 1.00 0.00 H new ATOM 0 HG CYS A 545 2.733 6.412 3.512 1.00 0.00 H new ATOM 200 N ALA A 546 2.076 3.749 -0.899 1.00 0.00 N ATOM 201 CA ALA A 546 1.253 2.883 -1.732 1.00 0.00 C ATOM 202 C ALA A 546 0.345 2.003 -0.881 1.00 0.00 C ATOM 203 O ALA A 546 0.794 1.370 0.076 1.00 0.00 O ATOM 204 CB ALA A 546 2.133 2.024 -2.630 1.00 0.00 C ATOM 0 H ALA A 546 2.623 3.258 -0.191 1.00 0.00 H new ATOM 0 HA ALA A 546 0.621 3.515 -2.356 1.00 0.00 H new ATOM 0 HB1 ALA A 546 1.505 1.381 -3.247 1.00 0.00 H new ATOM 0 HB2 ALA A 546 2.736 2.667 -3.271 1.00 0.00 H new ATOM 0 HB3 ALA A 546 2.789 1.408 -2.015 1.00 0.00 H new ATOM 210 N HIS A 547 -0.936 1.966 -1.234 1.00 0.00 N ATOM 211 CA HIS A 547 -1.909 1.164 -0.501 1.00 0.00 C ATOM 212 C HIS A 547 -2.316 -0.067 -1.307 1.00 0.00 C ATOM 213 O HIS A 547 -2.770 0.049 -2.446 1.00 0.00 O ATOM 214 CB HIS A 547 -3.145 2.000 -0.167 1.00 0.00 C ATOM 215 CG HIS A 547 -4.162 1.265 0.650 1.00 0.00 C ATOM 216 ND1 HIS A 547 -4.023 0.497 1.756 1.00 0.00 N flip ATOM 217 CD2 HIS A 547 -5.510 1.270 0.356 1.00 0.00 C flip ATOM 218 CE1 HIS A 547 -5.276 0.058 2.108 1.00 0.00 C flip ATOM 219 NE2 HIS A 547 -6.155 0.539 1.247 1.00 0.00 N flip ATOM 0 H HIS A 547 -1.324 2.482 -2.023 1.00 0.00 H new ATOM 0 HA HIS A 547 -1.443 0.832 0.427 1.00 0.00 H new ATOM 0 HB2 HIS A 547 -2.834 2.894 0.374 1.00 0.00 H new ATOM 0 HB3 HIS A 547 -3.609 2.334 -1.095 1.00 0.00 H new ATOM 0 HD2 HIS A 547 -5.966 1.790 -0.473 1.00 0.00 H new ATOM 0 HE1 HIS A 547 -5.505 -0.577 2.951 1.00 0.00 H new ATOM 0 HE2 HIS A 547 -7.161 0.374 1.267 1.00 0.00 H new ATOM 227 N ILE A 548 -2.149 -1.242 -0.709 1.00 0.00 N ATOM 228 CA ILE A 548 -2.499 -2.491 -1.372 1.00 0.00 C ATOM 229 C ILE A 548 -3.844 -3.016 -0.880 1.00 0.00 C ATOM 230 O ILE A 548 -4.070 -3.146 0.323 1.00 0.00 O ATOM 231 CB ILE A 548 -1.424 -3.571 -1.142 1.00 0.00 C ATOM 232 CG1 ILE A 548 -0.031 -2.999 -1.407 1.00 0.00 C ATOM 233 CG2 ILE A 548 -1.687 -4.777 -2.031 1.00 0.00 C ATOM 234 CD1 ILE A 548 1.090 -3.862 -0.871 1.00 0.00 C ATOM 0 H ILE A 548 -1.774 -1.355 0.233 1.00 0.00 H new ATOM 0 HA ILE A 548 -2.564 -2.275 -2.438 1.00 0.00 H new ATOM 0 HB ILE A 548 -1.471 -3.894 -0.102 1.00 0.00 H new ATOM 0 HG12 ILE A 548 0.102 -2.871 -2.481 1.00 0.00 H new ATOM 0 HG13 ILE A 548 0.037 -2.008 -0.957 1.00 0.00 H new ATOM 0 HG21 ILE A 548 -0.920 -5.531 -1.857 1.00 0.00 H new ATOM 0 HG22 ILE A 548 -2.666 -5.195 -1.797 1.00 0.00 H new ATOM 0 HG23 ILE A 548 -1.664 -4.470 -3.077 1.00 0.00 H new ATOM 0 HD11 ILE A 548 2.049 -3.394 -1.095 1.00 0.00 H new ATOM 0 HD12 ILE A 548 0.982 -3.969 0.208 1.00 0.00 H new ATOM 0 HD13 ILE A 548 1.048 -4.845 -1.339 1.00 0.00 H new ATOM 246 N THR A 549 -4.734 -3.319 -1.820 1.00 0.00 N ATOM 247 CA THR A 549 -6.057 -3.830 -1.484 1.00 0.00 C ATOM 248 C THR A 549 -6.404 -5.053 -2.326 1.00 0.00 C ATOM 249 O THR A 549 -5.671 -5.413 -3.246 1.00 0.00 O ATOM 250 CB THR A 549 -7.142 -2.756 -1.687 1.00 0.00 C ATOM 251 OG1 THR A 549 -7.236 -2.410 -3.074 1.00 0.00 O ATOM 252 CG2 THR A 549 -6.834 -1.513 -0.868 1.00 0.00 C ATOM 0 H THR A 549 -4.562 -3.219 -2.820 1.00 0.00 H new ATOM 0 HA THR A 549 -6.029 -4.113 -0.432 1.00 0.00 H new ATOM 0 HB THR A 549 -8.094 -3.166 -1.350 1.00 0.00 H new ATOM 0 HG1 THR A 549 -7.929 -1.728 -3.195 1.00 0.00 H new ATOM 0 HG21 THR A 549 -7.614 -0.769 -1.028 1.00 0.00 H new ATOM 0 HG22 THR A 549 -6.794 -1.775 0.189 1.00 0.00 H new ATOM 0 HG23 THR A 549 -5.873 -1.103 -1.177 1.00 0.00 H new ATOM 260 N ASN A 550 -7.526 -5.688 -2.003 1.00 0.00 N ATOM 261 CA ASN A 550 -7.971 -6.872 -2.731 1.00 0.00 C ATOM 262 C ASN A 550 -6.999 -8.030 -2.529 1.00 0.00 C ATOM 263 O ASN A 550 -6.697 -8.770 -3.466 1.00 0.00 O ATOM 264 CB ASN A 550 -8.105 -6.558 -4.223 1.00 0.00 C ATOM 265 CG ASN A 550 -8.917 -7.603 -4.963 1.00 0.00 C ATOM 266 OD1 ASN A 550 -9.426 -8.550 -4.361 1.00 0.00 O ATOM 267 ND2 ASN A 550 -9.043 -7.436 -6.273 1.00 0.00 N ATOM 0 H ASN A 550 -8.144 -5.403 -1.243 1.00 0.00 H new ATOM 0 HA ASN A 550 -8.945 -7.165 -2.339 1.00 0.00 H new ATOM 0 HB2 ASN A 550 -8.576 -5.582 -4.345 1.00 0.00 H new ATOM 0 HB3 ASN A 550 -7.112 -6.491 -4.668 1.00 0.00 H new ATOM 0 HD21 ASN A 550 -9.579 -8.107 -6.823 1.00 0.00 H new ATOM 0 HD22 ASN A 550 -8.604 -6.637 -6.730 1.00 0.00 H new ATOM 274 N ILE A 551 -6.516 -8.183 -1.301 1.00 0.00 N ATOM 275 CA ILE A 551 -5.580 -9.252 -0.975 1.00 0.00 C ATOM 276 C ILE A 551 -6.181 -10.216 0.043 1.00 0.00 C ATOM 277 O ILE A 551 -7.034 -9.851 0.853 1.00 0.00 O ATOM 278 CB ILE A 551 -4.258 -8.694 -0.418 1.00 0.00 C ATOM 279 CG1 ILE A 551 -4.512 -7.913 0.873 1.00 0.00 C ATOM 280 CG2 ILE A 551 -3.579 -7.810 -1.453 1.00 0.00 C ATOM 281 CD1 ILE A 551 -3.258 -7.652 1.678 1.00 0.00 C ATOM 0 H ILE A 551 -6.757 -7.580 -0.515 1.00 0.00 H new ATOM 0 HA ILE A 551 -5.376 -9.786 -1.903 1.00 0.00 H new ATOM 0 HB ILE A 551 -3.595 -9.529 -0.191 1.00 0.00 H new ATOM 0 HG12 ILE A 551 -4.980 -6.960 0.626 1.00 0.00 H new ATOM 0 HG13 ILE A 551 -5.221 -8.466 1.489 1.00 0.00 H new ATOM 0 HG21 ILE A 551 -2.646 -7.423 -1.045 1.00 0.00 H new ATOM 0 HG22 ILE A 551 -3.368 -8.394 -2.349 1.00 0.00 H new ATOM 0 HG23 ILE A 551 -4.236 -6.978 -1.708 1.00 0.00 H new ATOM 0 HD11 ILE A 551 -3.514 -7.094 2.579 1.00 0.00 H new ATOM 0 HD12 ILE A 551 -2.800 -8.601 1.956 1.00 0.00 H new ATOM 0 HD13 ILE A 551 -2.556 -7.072 1.079 1.00 0.00 H new ATOM 293 N PRO A 552 -5.725 -11.477 0.004 1.00 0.00 N ATOM 294 CA PRO A 552 -6.201 -12.520 0.918 1.00 0.00 C ATOM 295 C PRO A 552 -5.644 -12.354 2.327 1.00 0.00 C ATOM 296 O PRO A 552 -4.429 -12.343 2.528 1.00 0.00 O ATOM 297 CB PRO A 552 -5.681 -13.812 0.284 1.00 0.00 C ATOM 298 CG PRO A 552 -4.464 -13.400 -0.470 1.00 0.00 C ATOM 299 CD PRO A 552 -4.709 -11.982 -0.935 1.00 0.00 C ATOM 0 HA PRO A 552 -7.284 -12.495 1.037 1.00 0.00 H new ATOM 0 HB2 PRO A 552 -5.443 -14.558 1.043 1.00 0.00 H new ATOM 0 HB3 PRO A 552 -6.425 -14.256 -0.377 1.00 0.00 H new ATOM 0 HG2 PRO A 552 -3.578 -13.453 0.163 1.00 0.00 H new ATOM 0 HG3 PRO A 552 -4.290 -14.062 -1.318 1.00 0.00 H new ATOM 0 HD2 PRO A 552 -3.798 -11.385 -0.898 1.00 0.00 H new ATOM 0 HD3 PRO A 552 -5.066 -11.954 -1.964 1.00 0.00 H new ATOM 307 N PHE A 553 -6.539 -12.227 3.301 1.00 0.00 N ATOM 308 CA PHE A 553 -6.135 -12.061 4.693 1.00 0.00 C ATOM 309 C PHE A 553 -5.488 -13.336 5.227 1.00 0.00 C ATOM 310 O PHE A 553 -5.036 -13.384 6.370 1.00 0.00 O ATOM 311 CB PHE A 553 -7.343 -11.689 5.556 1.00 0.00 C ATOM 312 CG PHE A 553 -8.572 -12.496 5.246 1.00 0.00 C ATOM 313 CD1 PHE A 553 -9.461 -12.079 4.268 1.00 0.00 C ATOM 314 CD2 PHE A 553 -8.838 -13.670 5.931 1.00 0.00 C ATOM 315 CE1 PHE A 553 -10.593 -12.819 3.982 1.00 0.00 C ATOM 316 CE2 PHE A 553 -9.967 -14.414 5.648 1.00 0.00 C ATOM 317 CZ PHE A 553 -10.846 -13.989 4.672 1.00 0.00 C ATOM 0 H PHE A 553 -7.548 -12.236 3.153 1.00 0.00 H new ATOM 0 HA PHE A 553 -5.402 -11.255 4.739 1.00 0.00 H new ATOM 0 HB2 PHE A 553 -7.085 -11.824 6.606 1.00 0.00 H new ATOM 0 HB3 PHE A 553 -7.568 -10.632 5.416 1.00 0.00 H new ATOM 0 HD1 PHE A 553 -9.267 -11.166 3.724 1.00 0.00 H new ATOM 0 HD2 PHE A 553 -8.154 -14.008 6.696 1.00 0.00 H new ATOM 0 HE1 PHE A 553 -11.280 -12.483 3.219 1.00 0.00 H new ATOM 0 HE2 PHE A 553 -10.162 -15.328 6.190 1.00 0.00 H new ATOM 0 HZ PHE A 553 -11.729 -14.569 4.448 1.00 0.00 H new ATOM 327 N SER A 554 -5.448 -14.367 4.389 1.00 0.00 N ATOM 328 CA SER A 554 -4.861 -15.645 4.777 1.00 0.00 C ATOM 329 C SER A 554 -3.352 -15.515 4.962 1.00 0.00 C ATOM 330 O SER A 554 -2.744 -16.261 5.731 1.00 0.00 O ATOM 331 CB SER A 554 -5.166 -16.711 3.724 1.00 0.00 C ATOM 332 OG SER A 554 -4.590 -16.374 2.473 1.00 0.00 O ATOM 0 H SER A 554 -5.815 -14.343 3.438 1.00 0.00 H new ATOM 0 HA SER A 554 -5.302 -15.946 5.727 1.00 0.00 H new ATOM 0 HB2 SER A 554 -4.782 -17.675 4.057 1.00 0.00 H new ATOM 0 HB3 SER A 554 -6.245 -16.819 3.614 1.00 0.00 H new ATOM 0 HG SER A 554 -4.798 -17.073 1.818 1.00 0.00 H new ATOM 338 N ILE A 555 -2.754 -14.563 4.253 1.00 0.00 N ATOM 339 CA ILE A 555 -1.318 -14.334 4.339 1.00 0.00 C ATOM 340 C ILE A 555 -0.984 -13.351 5.456 1.00 0.00 C ATOM 341 O ILE A 555 -1.876 -12.760 6.067 1.00 0.00 O ATOM 342 CB ILE A 555 -0.753 -13.798 3.012 1.00 0.00 C ATOM 343 CG1 ILE A 555 -1.181 -12.344 2.800 1.00 0.00 C ATOM 344 CG2 ILE A 555 -1.213 -14.666 1.850 1.00 0.00 C ATOM 345 CD1 ILE A 555 -0.438 -11.652 1.678 1.00 0.00 C ATOM 0 H ILE A 555 -3.243 -13.938 3.612 1.00 0.00 H new ATOM 0 HA ILE A 555 -0.857 -15.298 4.557 1.00 0.00 H new ATOM 0 HB ILE A 555 0.335 -13.834 3.058 1.00 0.00 H new ATOM 0 HG12 ILE A 555 -2.250 -12.316 2.589 1.00 0.00 H new ATOM 0 HG13 ILE A 555 -1.024 -11.789 3.725 1.00 0.00 H new ATOM 0 HG21 ILE A 555 -0.805 -14.273 0.919 1.00 0.00 H new ATOM 0 HG22 ILE A 555 -0.862 -15.687 1.998 1.00 0.00 H new ATOM 0 HG23 ILE A 555 -2.302 -14.660 1.800 1.00 0.00 H new ATOM 0 HD11 ILE A 555 -0.793 -10.626 1.585 1.00 0.00 H new ATOM 0 HD12 ILE A 555 0.630 -11.648 1.897 1.00 0.00 H new ATOM 0 HD13 ILE A 555 -0.615 -12.183 0.743 1.00 0.00 H new ATOM 357 N THR A 556 0.308 -13.176 5.717 1.00 0.00 N ATOM 358 CA THR A 556 0.760 -12.262 6.759 1.00 0.00 C ATOM 359 C THR A 556 1.818 -11.303 6.227 1.00 0.00 C ATOM 360 O THR A 556 2.230 -11.395 5.071 1.00 0.00 O ATOM 361 CB THR A 556 1.337 -13.029 7.965 1.00 0.00 C ATOM 362 OG1 THR A 556 2.332 -13.958 7.524 1.00 0.00 O ATOM 363 CG2 THR A 556 0.238 -13.770 8.711 1.00 0.00 C ATOM 0 H THR A 556 1.060 -13.655 5.221 1.00 0.00 H new ATOM 0 HA THR A 556 -0.112 -11.693 7.082 1.00 0.00 H new ATOM 0 HB THR A 556 1.791 -12.307 8.644 1.00 0.00 H new ATOM 0 HG1 THR A 556 2.695 -14.440 8.296 1.00 0.00 H new ATOM 0 HG21 THR A 556 0.669 -14.304 9.558 1.00 0.00 H new ATOM 0 HG22 THR A 556 -0.503 -13.056 9.071 1.00 0.00 H new ATOM 0 HG23 THR A 556 -0.241 -14.482 8.039 1.00 0.00 H new ATOM 371 N LYS A 557 2.256 -10.382 7.079 1.00 0.00 N ATOM 372 CA LYS A 557 3.269 -9.405 6.697 1.00 0.00 C ATOM 373 C LYS A 557 4.424 -10.078 5.963 1.00 0.00 C ATOM 374 O LYS A 557 4.838 -9.630 4.894 1.00 0.00 O ATOM 375 CB LYS A 557 3.793 -8.673 7.934 1.00 0.00 C ATOM 376 CG LYS A 557 4.499 -7.366 7.613 1.00 0.00 C ATOM 377 CD LYS A 557 5.486 -6.984 8.704 1.00 0.00 C ATOM 378 CE LYS A 557 5.735 -5.484 8.729 1.00 0.00 C ATOM 379 NZ LYS A 557 6.072 -5.001 10.097 1.00 0.00 N ATOM 0 H LYS A 557 1.925 -10.292 8.040 1.00 0.00 H new ATOM 0 HA LYS A 557 2.806 -8.683 6.024 1.00 0.00 H new ATOM 0 HB2 LYS A 557 2.959 -8.471 8.607 1.00 0.00 H new ATOM 0 HB3 LYS A 557 4.482 -9.327 8.468 1.00 0.00 H new ATOM 0 HG2 LYS A 557 5.024 -7.459 6.662 1.00 0.00 H new ATOM 0 HG3 LYS A 557 3.761 -6.572 7.494 1.00 0.00 H new ATOM 0 HD2 LYS A 557 5.103 -7.307 9.672 1.00 0.00 H new ATOM 0 HD3 LYS A 557 6.428 -7.508 8.543 1.00 0.00 H new ATOM 0 HE2 LYS A 557 6.549 -5.239 8.047 1.00 0.00 H new ATOM 0 HE3 LYS A 557 4.849 -4.963 8.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 557 5.778 -4.008 10.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 557 5.575 -5.582 10.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 557 7.098 -5.075 10.248 1.00 0.00 H new ATOM 393 N MET A 558 4.940 -11.156 6.544 1.00 0.00 N ATOM 394 CA MET A 558 6.046 -11.892 5.942 1.00 0.00 C ATOM 395 C MET A 558 5.792 -12.141 4.460 1.00 0.00 C ATOM 396 O MET A 558 6.653 -11.879 3.620 1.00 0.00 O ATOM 397 CB MET A 558 6.254 -13.223 6.668 1.00 0.00 C ATOM 398 CG MET A 558 7.612 -13.853 6.404 1.00 0.00 C ATOM 399 SD MET A 558 7.876 -14.231 4.660 1.00 0.00 S ATOM 400 CE MET A 558 9.607 -13.809 4.480 1.00 0.00 C ATOM 0 H MET A 558 4.611 -11.539 7.430 1.00 0.00 H new ATOM 0 HA MET A 558 6.948 -11.288 6.039 1.00 0.00 H new ATOM 0 HB2 MET A 558 6.138 -13.065 7.740 1.00 0.00 H new ATOM 0 HB3 MET A 558 5.474 -13.920 6.363 1.00 0.00 H new ATOM 0 HG2 MET A 558 8.395 -13.177 6.748 1.00 0.00 H new ATOM 0 HG3 MET A 558 7.703 -14.769 6.988 1.00 0.00 H new ATOM 0 HE1 MET A 558 9.920 -13.989 3.452 1.00 0.00 H new ATOM 0 HE2 MET A 558 9.752 -12.757 4.725 1.00 0.00 H new ATOM 0 HE3 MET A 558 10.203 -14.424 5.154 1.00 0.00 H new ATOM 410 N ASP A 559 4.604 -12.648 4.145 1.00 0.00 N ATOM 411 CA ASP A 559 4.237 -12.932 2.763 1.00 0.00 C ATOM 412 C ASP A 559 4.346 -11.676 1.903 1.00 0.00 C ATOM 413 O ASP A 559 4.992 -11.683 0.855 1.00 0.00 O ATOM 414 CB ASP A 559 2.814 -13.489 2.695 1.00 0.00 C ATOM 415 CG ASP A 559 2.723 -14.909 3.218 1.00 0.00 C ATOM 416 OD1 ASP A 559 2.500 -15.081 4.435 1.00 0.00 O ATOM 417 OD2 ASP A 559 2.874 -15.849 2.409 1.00 0.00 O ATOM 0 H ASP A 559 3.880 -12.870 4.828 1.00 0.00 H new ATOM 0 HA ASP A 559 4.930 -13.678 2.375 1.00 0.00 H new ATOM 0 HB2 ASP A 559 2.148 -12.848 3.273 1.00 0.00 H new ATOM 0 HB3 ASP A 559 2.465 -13.462 1.663 1.00 0.00 H new ATOM 422 N VAL A 560 3.710 -10.599 2.353 1.00 0.00 N ATOM 423 CA VAL A 560 3.735 -9.337 1.626 1.00 0.00 C ATOM 424 C VAL A 560 5.165 -8.908 1.319 1.00 0.00 C ATOM 425 O VAL A 560 5.527 -8.691 0.162 1.00 0.00 O ATOM 426 CB VAL A 560 3.034 -8.218 2.418 1.00 0.00 C ATOM 427 CG1 VAL A 560 3.176 -6.884 1.700 1.00 0.00 C ATOM 428 CG2 VAL A 560 1.568 -8.560 2.639 1.00 0.00 C ATOM 0 H VAL A 560 3.171 -10.576 3.219 1.00 0.00 H new ATOM 0 HA VAL A 560 3.199 -9.500 0.691 1.00 0.00 H new ATOM 0 HB VAL A 560 3.515 -8.131 3.392 1.00 0.00 H new ATOM 0 HG11 VAL A 560 2.674 -6.106 2.275 1.00 0.00 H new ATOM 0 HG12 VAL A 560 4.233 -6.636 1.599 1.00 0.00 H new ATOM 0 HG13 VAL A 560 2.723 -6.953 0.711 1.00 0.00 H new ATOM 0 HG21 VAL A 560 1.088 -7.758 3.200 1.00 0.00 H new ATOM 0 HG22 VAL A 560 1.072 -8.676 1.675 1.00 0.00 H new ATOM 0 HG23 VAL A 560 1.492 -9.491 3.200 1.00 0.00 H new ATOM 438 N LEU A 561 5.978 -8.786 2.364 1.00 0.00 N ATOM 439 CA LEU A 561 7.371 -8.383 2.207 1.00 0.00 C ATOM 440 C LEU A 561 7.973 -8.988 0.943 1.00 0.00 C ATOM 441 O LEU A 561 8.728 -8.329 0.228 1.00 0.00 O ATOM 442 CB LEU A 561 8.186 -8.810 3.429 1.00 0.00 C ATOM 443 CG LEU A 561 7.841 -8.110 4.744 1.00 0.00 C ATOM 444 CD1 LEU A 561 8.452 -8.854 5.921 1.00 0.00 C ATOM 445 CD2 LEU A 561 8.317 -6.664 4.719 1.00 0.00 C ATOM 0 H LEU A 561 5.696 -8.961 3.329 1.00 0.00 H new ATOM 0 HA LEU A 561 7.402 -7.297 2.118 1.00 0.00 H new ATOM 0 HB2 LEU A 561 8.059 -9.884 3.568 1.00 0.00 H new ATOM 0 HB3 LEU A 561 9.241 -8.638 3.215 1.00 0.00 H new ATOM 0 HG LEU A 561 6.757 -8.113 4.862 1.00 0.00 H new ATOM 0 HD11 LEU A 561 8.196 -8.341 6.848 1.00 0.00 H new ATOM 0 HD12 LEU A 561 8.063 -9.872 5.950 1.00 0.00 H new ATOM 0 HD13 LEU A 561 9.536 -8.883 5.810 1.00 0.00 H new ATOM 0 HD21 LEU A 561 8.063 -6.181 5.663 1.00 0.00 H new ATOM 0 HD22 LEU A 561 9.398 -6.639 4.578 1.00 0.00 H new ATOM 0 HD23 LEU A 561 7.832 -6.135 3.899 1.00 0.00 H new ATOM 457 N GLN A 562 7.633 -10.244 0.673 1.00 0.00 N ATOM 458 CA GLN A 562 8.140 -10.936 -0.505 1.00 0.00 C ATOM 459 C GLN A 562 7.500 -10.388 -1.776 1.00 0.00 C ATOM 460 O GLN A 562 8.194 -9.982 -2.709 1.00 0.00 O ATOM 461 CB GLN A 562 7.875 -12.438 -0.394 1.00 0.00 C ATOM 462 CG GLN A 562 8.794 -13.285 -1.261 1.00 0.00 C ATOM 463 CD GLN A 562 8.273 -14.694 -1.461 1.00 0.00 C ATOM 464 OE1 GLN A 562 7.961 -15.099 -2.581 1.00 0.00 O ATOM 465 NE2 GLN A 562 8.178 -15.450 -0.374 1.00 0.00 N ATOM 0 H GLN A 562 7.008 -10.803 1.254 1.00 0.00 H new ATOM 0 HA GLN A 562 9.215 -10.767 -0.559 1.00 0.00 H new ATOM 0 HB2 GLN A 562 7.989 -12.742 0.646 1.00 0.00 H new ATOM 0 HB3 GLN A 562 6.840 -12.637 -0.673 1.00 0.00 H new ATOM 0 HG2 GLN A 562 8.915 -12.805 -2.232 1.00 0.00 H new ATOM 0 HG3 GLN A 562 9.782 -13.329 -0.802 1.00 0.00 H new ATOM 0 HE21 GLN A 562 8.448 -15.073 0.535 1.00 0.00 H new ATOM 0 HE22 GLN A 562 7.835 -16.408 -0.447 1.00 0.00 H new ATOM 474 N PHE A 563 6.171 -10.379 -1.808 1.00 0.00 N ATOM 475 CA PHE A 563 5.436 -9.882 -2.965 1.00 0.00 C ATOM 476 C PHE A 563 6.055 -8.588 -3.486 1.00 0.00 C ATOM 477 O PHE A 563 5.960 -8.275 -4.674 1.00 0.00 O ATOM 478 CB PHE A 563 3.969 -9.649 -2.602 1.00 0.00 C ATOM 479 CG PHE A 563 3.226 -8.818 -3.609 1.00 0.00 C ATOM 480 CD1 PHE A 563 2.578 -9.418 -4.678 1.00 0.00 C ATOM 481 CD2 PHE A 563 3.178 -7.439 -3.489 1.00 0.00 C ATOM 482 CE1 PHE A 563 1.893 -8.655 -5.607 1.00 0.00 C ATOM 483 CE2 PHE A 563 2.495 -6.673 -4.415 1.00 0.00 C ATOM 484 CZ PHE A 563 1.854 -7.282 -5.475 1.00 0.00 C ATOM 0 H PHE A 563 5.581 -10.711 -1.045 1.00 0.00 H new ATOM 0 HA PHE A 563 5.493 -10.634 -3.752 1.00 0.00 H new ATOM 0 HB2 PHE A 563 3.471 -10.613 -2.500 1.00 0.00 H new ATOM 0 HB3 PHE A 563 3.917 -9.159 -1.630 1.00 0.00 H new ATOM 0 HD1 PHE A 563 2.608 -10.492 -4.787 1.00 0.00 H new ATOM 0 HD2 PHE A 563 3.680 -6.957 -2.663 1.00 0.00 H new ATOM 0 HE1 PHE A 563 1.390 -9.133 -6.434 1.00 0.00 H new ATOM 0 HE2 PHE A 563 2.463 -5.599 -4.309 1.00 0.00 H new ATOM 0 HZ PHE A 563 1.322 -6.684 -6.201 1.00 0.00 H new ATOM 494 N LEU A 564 6.687 -7.838 -2.590 1.00 0.00 N ATOM 495 CA LEU A 564 7.322 -6.577 -2.958 1.00 0.00 C ATOM 496 C LEU A 564 8.782 -6.793 -3.338 1.00 0.00 C ATOM 497 O LEU A 564 9.615 -5.901 -3.173 1.00 0.00 O ATOM 498 CB LEU A 564 7.225 -5.579 -1.803 1.00 0.00 C ATOM 499 CG LEU A 564 5.845 -4.970 -1.555 1.00 0.00 C ATOM 500 CD1 LEU A 564 5.814 -4.245 -0.219 1.00 0.00 C ATOM 501 CD2 LEU A 564 5.468 -4.024 -2.686 1.00 0.00 C ATOM 0 H LEU A 564 6.773 -8.081 -1.603 1.00 0.00 H new ATOM 0 HA LEU A 564 6.797 -6.173 -3.824 1.00 0.00 H new ATOM 0 HB2 LEU A 564 7.549 -6.078 -0.890 1.00 0.00 H new ATOM 0 HB3 LEU A 564 7.929 -4.768 -1.990 1.00 0.00 H new ATOM 0 HG LEU A 564 5.113 -5.777 -1.524 1.00 0.00 H new ATOM 0 HD11 LEU A 564 4.824 -3.818 -0.060 1.00 0.00 H new ATOM 0 HD12 LEU A 564 6.039 -4.949 0.582 1.00 0.00 H new ATOM 0 HD13 LEU A 564 6.557 -3.448 -0.220 1.00 0.00 H new ATOM 0 HD21 LEU A 564 4.483 -3.600 -2.492 1.00 0.00 H new ATOM 0 HD22 LEU A 564 6.203 -3.221 -2.749 1.00 0.00 H new ATOM 0 HD23 LEU A 564 5.448 -4.572 -3.628 1.00 0.00 H new ATOM 513 N GLU A 565 9.086 -7.982 -3.850 1.00 0.00 N ATOM 514 CA GLU A 565 10.447 -8.313 -4.256 1.00 0.00 C ATOM 515 C GLU A 565 10.964 -7.319 -5.292 1.00 0.00 C ATOM 516 O GLU A 565 10.396 -7.184 -6.376 1.00 0.00 O ATOM 517 CB GLU A 565 10.503 -9.733 -4.823 1.00 0.00 C ATOM 518 CG GLU A 565 11.853 -10.100 -5.414 1.00 0.00 C ATOM 519 CD GLU A 565 12.887 -10.421 -4.353 1.00 0.00 C ATOM 520 OE1 GLU A 565 12.691 -11.410 -3.615 1.00 0.00 O ATOM 521 OE2 GLU A 565 13.892 -9.686 -4.259 1.00 0.00 O ATOM 0 H GLU A 565 8.409 -8.731 -3.993 1.00 0.00 H new ATOM 0 HA GLU A 565 11.085 -8.256 -3.374 1.00 0.00 H new ATOM 0 HB2 GLU A 565 10.258 -10.441 -4.031 1.00 0.00 H new ATOM 0 HB3 GLU A 565 9.738 -9.838 -5.593 1.00 0.00 H new ATOM 0 HG2 GLU A 565 11.735 -10.960 -6.073 1.00 0.00 H new ATOM 0 HG3 GLU A 565 12.213 -9.275 -6.029 1.00 0.00 H new ATOM 528 N GLY A 566 12.045 -6.624 -4.952 1.00 0.00 N ATOM 529 CA GLY A 566 12.620 -5.651 -5.862 1.00 0.00 C ATOM 530 C GLY A 566 12.762 -4.280 -5.230 1.00 0.00 C ATOM 531 O GLY A 566 13.805 -3.637 -5.358 1.00 0.00 O ATOM 0 H GLY A 566 12.533 -6.718 -4.061 1.00 0.00 H new ATOM 0 HA2 GLY A 566 13.599 -6.000 -6.191 1.00 0.00 H new ATOM 0 HA3 GLY A 566 11.994 -5.575 -6.751 1.00 0.00 H new ATOM 535 N ILE A 567 11.713 -3.832 -4.550 1.00 0.00 N ATOM 536 CA ILE A 567 11.727 -2.528 -3.898 1.00 0.00 C ATOM 537 C ILE A 567 12.490 -2.583 -2.578 1.00 0.00 C ATOM 538 O ILE A 567 12.182 -3.374 -1.686 1.00 0.00 O ATOM 539 CB ILE A 567 10.299 -2.017 -3.631 1.00 0.00 C ATOM 540 CG1 ILE A 567 9.561 -1.789 -4.952 1.00 0.00 C ATOM 541 CG2 ILE A 567 10.339 -0.735 -2.813 1.00 0.00 C ATOM 542 CD1 ILE A 567 8.057 -1.737 -4.802 1.00 0.00 C ATOM 0 H ILE A 567 10.843 -4.352 -4.436 1.00 0.00 H new ATOM 0 HA ILE A 567 12.229 -1.840 -4.578 1.00 0.00 H new ATOM 0 HB ILE A 567 9.759 -2.772 -3.060 1.00 0.00 H new ATOM 0 HG12 ILE A 567 9.906 -0.855 -5.395 1.00 0.00 H new ATOM 0 HG13 ILE A 567 9.821 -2.587 -5.647 1.00 0.00 H new ATOM 0 HG21 ILE A 567 9.322 -0.387 -2.633 1.00 0.00 H new ATOM 0 HG22 ILE A 567 10.831 -0.927 -1.860 1.00 0.00 H new ATOM 0 HG23 ILE A 567 10.892 0.028 -3.360 1.00 0.00 H new ATOM 0 HD11 ILE A 567 7.600 -1.573 -5.778 1.00 0.00 H new ATOM 0 HD12 ILE A 567 7.700 -2.680 -4.388 1.00 0.00 H new ATOM 0 HD13 ILE A 567 7.786 -0.921 -4.132 1.00 0.00 H new ATOM 554 N PRO A 568 13.509 -1.719 -2.448 1.00 0.00 N ATOM 555 CA PRO A 568 14.336 -1.647 -1.240 1.00 0.00 C ATOM 556 C PRO A 568 13.639 -0.905 -0.105 1.00 0.00 C ATOM 557 O PRO A 568 13.870 0.286 0.106 1.00 0.00 O ATOM 558 CB PRO A 568 15.574 -0.875 -1.703 1.00 0.00 C ATOM 559 CG PRO A 568 15.091 -0.023 -2.825 1.00 0.00 C ATOM 560 CD PRO A 568 13.932 -0.748 -3.471 1.00 0.00 C ATOM 0 HA PRO A 568 14.559 -2.636 -0.839 1.00 0.00 H new ATOM 0 HB2 PRO A 568 15.988 -0.270 -0.896 1.00 0.00 H new ATOM 0 HB3 PRO A 568 16.363 -1.552 -2.031 1.00 0.00 H new ATOM 0 HG2 PRO A 568 14.777 0.954 -2.458 1.00 0.00 H new ATOM 0 HG3 PRO A 568 15.888 0.149 -3.548 1.00 0.00 H new ATOM 0 HD2 PRO A 568 13.125 -0.062 -3.729 1.00 0.00 H new ATOM 0 HD3 PRO A 568 14.235 -1.245 -4.393 1.00 0.00 H new ATOM 568 N VAL A 569 12.787 -1.616 0.626 1.00 0.00 N ATOM 569 CA VAL A 569 12.057 -1.024 1.741 1.00 0.00 C ATOM 570 C VAL A 569 12.089 -1.935 2.963 1.00 0.00 C ATOM 571 O VAL A 569 12.041 -3.159 2.839 1.00 0.00 O ATOM 572 CB VAL A 569 10.591 -0.739 1.365 1.00 0.00 C ATOM 573 CG1 VAL A 569 9.851 -2.037 1.079 1.00 0.00 C ATOM 574 CG2 VAL A 569 9.901 0.045 2.472 1.00 0.00 C ATOM 0 H VAL A 569 12.585 -2.603 0.466 1.00 0.00 H new ATOM 0 HA VAL A 569 12.552 -0.083 1.979 1.00 0.00 H new ATOM 0 HB VAL A 569 10.577 -0.134 0.459 1.00 0.00 H new ATOM 0 HG11 VAL A 569 8.817 -1.816 0.815 1.00 0.00 H new ATOM 0 HG12 VAL A 569 10.334 -2.556 0.251 1.00 0.00 H new ATOM 0 HG13 VAL A 569 9.872 -2.671 1.966 1.00 0.00 H new ATOM 0 HG21 VAL A 569 8.866 0.238 2.190 1.00 0.00 H new ATOM 0 HG22 VAL A 569 9.924 -0.533 3.396 1.00 0.00 H new ATOM 0 HG23 VAL A 569 10.418 0.992 2.624 1.00 0.00 H new ATOM 584 N ASP A 570 12.169 -1.331 4.144 1.00 0.00 N ATOM 585 CA ASP A 570 12.205 -2.088 5.390 1.00 0.00 C ATOM 586 C ASP A 570 10.821 -2.621 5.742 1.00 0.00 C ATOM 587 O ASP A 570 9.812 -2.138 5.230 1.00 0.00 O ATOM 588 CB ASP A 570 12.733 -1.212 6.527 1.00 0.00 C ATOM 589 CG ASP A 570 13.435 -2.020 7.602 1.00 0.00 C ATOM 590 OD1 ASP A 570 12.792 -2.920 8.181 1.00 0.00 O ATOM 591 OD2 ASP A 570 14.626 -1.751 7.864 1.00 0.00 O ATOM 0 H ASP A 570 12.210 -0.319 4.264 1.00 0.00 H new ATOM 0 HA ASP A 570 12.876 -2.936 5.253 1.00 0.00 H new ATOM 0 HB2 ASP A 570 13.425 -0.473 6.122 1.00 0.00 H new ATOM 0 HB3 ASP A 570 11.904 -0.662 6.973 1.00 0.00 H new ATOM 596 N GLU A 571 10.782 -3.620 6.618 1.00 0.00 N ATOM 597 CA GLU A 571 9.521 -4.220 7.037 1.00 0.00 C ATOM 598 C GLU A 571 8.684 -3.225 7.834 1.00 0.00 C ATOM 599 O GLU A 571 7.465 -3.161 7.681 1.00 0.00 O ATOM 600 CB GLU A 571 9.780 -5.473 7.875 1.00 0.00 C ATOM 601 CG GLU A 571 10.641 -5.218 9.101 1.00 0.00 C ATOM 602 CD GLU A 571 9.835 -4.721 10.286 1.00 0.00 C ATOM 603 OE1 GLU A 571 8.724 -5.246 10.510 1.00 0.00 O ATOM 604 OE2 GLU A 571 10.316 -3.808 10.989 1.00 0.00 O ATOM 0 H GLU A 571 11.609 -4.031 7.051 1.00 0.00 H new ATOM 0 HA GLU A 571 8.966 -4.500 6.142 1.00 0.00 H new ATOM 0 HB2 GLU A 571 8.825 -5.891 8.193 1.00 0.00 H new ATOM 0 HB3 GLU A 571 10.265 -6.224 7.251 1.00 0.00 H new ATOM 0 HG2 GLU A 571 11.156 -6.138 9.377 1.00 0.00 H new ATOM 0 HG3 GLU A 571 11.409 -4.484 8.855 1.00 0.00 H new ATOM 611 N ASN A 572 9.348 -2.451 8.687 1.00 0.00 N ATOM 612 CA ASN A 572 8.665 -1.459 9.510 1.00 0.00 C ATOM 613 C ASN A 572 7.849 -0.503 8.646 1.00 0.00 C ATOM 614 O ASN A 572 6.906 0.128 9.121 1.00 0.00 O ATOM 615 CB ASN A 572 9.679 -0.673 10.343 1.00 0.00 C ATOM 616 CG ASN A 572 10.938 -0.345 9.563 1.00 0.00 C ATOM 617 OD1 ASN A 572 11.877 -1.139 9.518 1.00 0.00 O ATOM 618 ND2 ASN A 572 10.962 0.829 8.945 1.00 0.00 N ATOM 0 H ASN A 572 10.358 -2.492 8.826 1.00 0.00 H new ATOM 0 HA ASN A 572 7.984 -1.985 10.179 1.00 0.00 H new ATOM 0 HB2 ASN A 572 9.220 0.252 10.692 1.00 0.00 H new ATOM 0 HB3 ASN A 572 9.944 -1.251 11.228 1.00 0.00 H new ATOM 0 HD21 ASN A 572 11.782 1.104 8.405 1.00 0.00 H new ATOM 0 HD22 ASN A 572 10.160 1.456 9.010 1.00 0.00 H new ATOM 625 N ALA A 573 8.218 -0.403 7.373 1.00 0.00 N ATOM 626 CA ALA A 573 7.520 0.473 6.441 1.00 0.00 C ATOM 627 C ALA A 573 6.310 -0.227 5.830 1.00 0.00 C ATOM 628 O ALA A 573 5.754 0.231 4.833 1.00 0.00 O ATOM 629 CB ALA A 573 8.467 0.944 5.348 1.00 0.00 C ATOM 0 H ALA A 573 8.997 -0.919 6.964 1.00 0.00 H new ATOM 0 HA ALA A 573 7.163 1.341 6.996 1.00 0.00 H new ATOM 0 HB1 ALA A 573 7.931 1.597 4.659 1.00 0.00 H new ATOM 0 HB2 ALA A 573 9.297 1.491 5.796 1.00 0.00 H new ATOM 0 HB3 ALA A 573 8.853 0.082 4.804 1.00 0.00 H new ATOM 635 N VAL A 574 5.908 -1.340 6.436 1.00 0.00 N ATOM 636 CA VAL A 574 4.766 -2.104 5.951 1.00 0.00 C ATOM 637 C VAL A 574 3.671 -2.185 7.010 1.00 0.00 C ATOM 638 O VAL A 574 3.693 -3.061 7.875 1.00 0.00 O ATOM 639 CB VAL A 574 5.175 -3.531 5.542 1.00 0.00 C ATOM 640 CG1 VAL A 574 3.961 -4.328 5.094 1.00 0.00 C ATOM 641 CG2 VAL A 574 6.230 -3.489 4.447 1.00 0.00 C ATOM 0 H VAL A 574 6.357 -1.732 7.264 1.00 0.00 H new ATOM 0 HA VAL A 574 4.384 -1.580 5.075 1.00 0.00 H new ATOM 0 HB VAL A 574 5.605 -4.030 6.411 1.00 0.00 H new ATOM 0 HG11 VAL A 574 4.271 -5.333 4.809 1.00 0.00 H new ATOM 0 HG12 VAL A 574 3.243 -4.388 5.912 1.00 0.00 H new ATOM 0 HG13 VAL A 574 3.497 -3.835 4.239 1.00 0.00 H new ATOM 0 HG21 VAL A 574 6.508 -4.506 4.170 1.00 0.00 H new ATOM 0 HG22 VAL A 574 5.829 -2.972 3.575 1.00 0.00 H new ATOM 0 HG23 VAL A 574 7.110 -2.959 4.810 1.00 0.00 H new ATOM 651 N HIS A 575 2.713 -1.266 6.934 1.00 0.00 N ATOM 652 CA HIS A 575 1.608 -1.234 7.885 1.00 0.00 C ATOM 653 C HIS A 575 0.492 -2.182 7.455 1.00 0.00 C ATOM 654 O HIS A 575 -0.178 -1.953 6.448 1.00 0.00 O ATOM 655 CB HIS A 575 1.062 0.188 8.018 1.00 0.00 C ATOM 656 CG HIS A 575 2.088 1.185 8.458 1.00 0.00 C ATOM 657 ND1 HIS A 575 3.434 1.192 8.315 1.00 0.00 N flip ATOM 658 CD2 HIS A 575 1.770 2.343 9.137 1.00 0.00 C flip ATOM 659 CE1 HIS A 575 3.900 2.343 8.902 1.00 0.00 C flip ATOM 660 NE2 HIS A 575 2.876 3.020 9.391 1.00 0.00 N flip ATOM 0 H HIS A 575 2.680 -0.534 6.224 1.00 0.00 H new ATOM 0 HA HIS A 575 1.986 -1.562 8.853 1.00 0.00 H new ATOM 0 HB2 HIS A 575 0.651 0.502 7.058 1.00 0.00 H new ATOM 0 HB3 HIS A 575 0.239 0.187 8.732 1.00 0.00 H new ATOM 0 HD2 HIS A 575 0.773 2.649 9.417 1.00 0.00 H new ATOM 0 HE1 HIS A 575 4.935 2.646 8.955 1.00 0.00 H new ATOM 0 HE2 HIS A 575 2.930 3.913 9.881 1.00 0.00 H new ATOM 668 N VAL A 576 0.299 -3.249 8.224 1.00 0.00 N ATOM 669 CA VAL A 576 -0.735 -4.232 7.922 1.00 0.00 C ATOM 670 C VAL A 576 -1.960 -4.029 8.806 1.00 0.00 C ATOM 671 O VAL A 576 -1.859 -4.020 10.034 1.00 0.00 O ATOM 672 CB VAL A 576 -0.214 -5.670 8.107 1.00 0.00 C ATOM 673 CG1 VAL A 576 -1.323 -6.677 7.845 1.00 0.00 C ATOM 674 CG2 VAL A 576 0.977 -5.925 7.196 1.00 0.00 C ATOM 0 H VAL A 576 0.845 -3.455 9.061 1.00 0.00 H new ATOM 0 HA VAL A 576 -1.015 -4.087 6.879 1.00 0.00 H new ATOM 0 HB VAL A 576 0.115 -5.790 9.139 1.00 0.00 H new ATOM 0 HG11 VAL A 576 -0.937 -7.687 7.980 1.00 0.00 H new ATOM 0 HG12 VAL A 576 -2.143 -6.505 8.543 1.00 0.00 H new ATOM 0 HG13 VAL A 576 -1.686 -6.561 6.824 1.00 0.00 H new ATOM 0 HG21 VAL A 576 1.333 -6.945 7.339 1.00 0.00 H new ATOM 0 HG22 VAL A 576 0.676 -5.788 6.157 1.00 0.00 H new ATOM 0 HG23 VAL A 576 1.777 -5.225 7.438 1.00 0.00 H new ATOM 684 N LEU A 577 -3.118 -3.868 8.176 1.00 0.00 N ATOM 685 CA LEU A 577 -4.365 -3.666 8.904 1.00 0.00 C ATOM 686 C LEU A 577 -4.757 -4.925 9.672 1.00 0.00 C ATOM 687 O LEU A 577 -4.379 -6.036 9.298 1.00 0.00 O ATOM 688 CB LEU A 577 -5.485 -3.274 7.939 1.00 0.00 C ATOM 689 CG LEU A 577 -5.421 -1.853 7.379 1.00 0.00 C ATOM 690 CD1 LEU A 577 -6.613 -1.582 6.474 1.00 0.00 C ATOM 691 CD2 LEU A 577 -5.366 -0.836 8.510 1.00 0.00 C ATOM 0 H LEU A 577 -3.219 -3.873 7.161 1.00 0.00 H new ATOM 0 HA LEU A 577 -4.212 -2.858 9.620 1.00 0.00 H new ATOM 0 HB2 LEU A 577 -5.478 -3.973 7.103 1.00 0.00 H new ATOM 0 HB3 LEU A 577 -6.439 -3.399 8.451 1.00 0.00 H new ATOM 0 HG LEU A 577 -4.511 -1.757 6.786 1.00 0.00 H new ATOM 0 HD11 LEU A 577 -6.551 -0.566 6.085 1.00 0.00 H new ATOM 0 HD12 LEU A 577 -6.608 -2.289 5.645 1.00 0.00 H new ATOM 0 HD13 LEU A 577 -7.535 -1.696 7.043 1.00 0.00 H new ATOM 0 HD21 LEU A 577 -5.321 0.170 8.093 1.00 0.00 H new ATOM 0 HD22 LEU A 577 -6.258 -0.932 9.130 1.00 0.00 H new ATOM 0 HD23 LEU A 577 -4.480 -1.016 9.119 1.00 0.00 H new ATOM 809 N GLY A 586 -7.635 -7.728 4.585 1.00 0.00 N ATOM 810 CA GLY A 586 -6.936 -7.779 3.314 1.00 0.00 C ATOM 811 C GLY A 586 -6.564 -6.401 2.801 1.00 0.00 C ATOM 812 O GLY A 586 -6.963 -6.013 1.704 1.00 0.00 O ATOM 0 HA2 GLY A 586 -6.032 -8.379 3.424 1.00 0.00 H new ATOM 0 HA3 GLY A 586 -7.564 -8.280 2.577 1.00 0.00 H new ATOM 816 N GLN A 587 -5.799 -5.661 3.598 1.00 0.00 N ATOM 817 CA GLN A 587 -5.378 -4.318 3.218 1.00 0.00 C ATOM 818 C GLN A 587 -4.151 -3.888 4.017 1.00 0.00 C ATOM 819 O GLN A 587 -4.111 -4.033 5.238 1.00 0.00 O ATOM 820 CB GLN A 587 -6.517 -3.322 3.436 1.00 0.00 C ATOM 821 CG GLN A 587 -7.608 -3.406 2.381 1.00 0.00 C ATOM 822 CD GLN A 587 -8.560 -2.228 2.430 1.00 0.00 C ATOM 823 OE1 GLN A 587 -8.221 -1.161 2.943 1.00 0.00 O ATOM 824 NE2 GLN A 587 -9.762 -2.415 1.895 1.00 0.00 N ATOM 0 H GLN A 587 -5.459 -5.969 4.509 1.00 0.00 H new ATOM 0 HA GLN A 587 -5.116 -4.332 2.160 1.00 0.00 H new ATOM 0 HB2 GLN A 587 -6.958 -3.496 4.418 1.00 0.00 H new ATOM 0 HB3 GLN A 587 -6.108 -2.312 3.445 1.00 0.00 H new ATOM 0 HG2 GLN A 587 -7.150 -3.457 1.393 1.00 0.00 H new ATOM 0 HG3 GLN A 587 -8.171 -4.329 2.519 1.00 0.00 H new ATOM 0 HE21 GLN A 587 -10.001 -3.316 1.480 1.00 0.00 H new ATOM 0 HE22 GLN A 587 -10.445 -1.658 1.899 1.00 0.00 H new ATOM 833 N ALA A 588 -3.153 -3.357 3.318 1.00 0.00 N ATOM 834 CA ALA A 588 -1.926 -2.905 3.962 1.00 0.00 C ATOM 835 C ALA A 588 -1.361 -1.673 3.262 1.00 0.00 C ATOM 836 O ALA A 588 -1.497 -1.519 2.047 1.00 0.00 O ATOM 837 CB ALA A 588 -0.895 -4.023 3.978 1.00 0.00 C ATOM 0 H ALA A 588 -3.170 -3.229 2.306 1.00 0.00 H new ATOM 0 HA ALA A 588 -2.164 -2.631 4.990 1.00 0.00 H new ATOM 0 HB1 ALA A 588 0.016 -3.671 4.462 1.00 0.00 H new ATOM 0 HB2 ALA A 588 -1.292 -4.876 4.528 1.00 0.00 H new ATOM 0 HB3 ALA A 588 -0.669 -4.324 2.955 1.00 0.00 H new ATOM 843 N LEU A 589 -0.729 -0.796 4.035 1.00 0.00 N ATOM 844 CA LEU A 589 -0.145 0.423 3.489 1.00 0.00 C ATOM 845 C LEU A 589 1.380 0.362 3.530 1.00 0.00 C ATOM 846 O LEU A 589 1.964 -0.186 4.465 1.00 0.00 O ATOM 847 CB LEU A 589 -0.639 1.643 4.268 1.00 0.00 C ATOM 848 CG LEU A 589 -2.136 1.939 4.172 1.00 0.00 C ATOM 849 CD1 LEU A 589 -2.578 2.833 5.319 1.00 0.00 C ATOM 850 CD2 LEU A 589 -2.466 2.583 2.834 1.00 0.00 C ATOM 0 H LEU A 589 -0.608 -0.907 5.042 1.00 0.00 H new ATOM 0 HA LEU A 589 -0.459 0.513 2.449 1.00 0.00 H new ATOM 0 HB2 LEU A 589 -0.383 1.507 5.319 1.00 0.00 H new ATOM 0 HB3 LEU A 589 -0.093 2.519 3.918 1.00 0.00 H new ATOM 0 HG LEU A 589 -2.679 0.997 4.244 1.00 0.00 H new ATOM 0 HD11 LEU A 589 -3.646 3.033 5.234 1.00 0.00 H new ATOM 0 HD12 LEU A 589 -2.377 2.335 6.267 1.00 0.00 H new ATOM 0 HD13 LEU A 589 -2.029 3.774 5.280 1.00 0.00 H new ATOM 0 HD21 LEU A 589 -3.535 2.787 2.782 1.00 0.00 H new ATOM 0 HD22 LEU A 589 -1.913 3.517 2.734 1.00 0.00 H new ATOM 0 HD23 LEU A 589 -2.186 1.907 2.026 1.00 0.00 H new ATOM 862 N VAL A 590 2.018 0.932 2.513 1.00 0.00 N ATOM 863 CA VAL A 590 3.473 0.946 2.434 1.00 0.00 C ATOM 864 C VAL A 590 4.002 2.368 2.286 1.00 0.00 C ATOM 865 O VAL A 590 3.589 3.103 1.390 1.00 0.00 O ATOM 866 CB VAL A 590 3.980 0.096 1.255 1.00 0.00 C ATOM 867 CG1 VAL A 590 5.498 0.141 1.177 1.00 0.00 C ATOM 868 CG2 VAL A 590 3.487 -1.338 1.381 1.00 0.00 C ATOM 0 H VAL A 590 1.549 1.391 1.732 1.00 0.00 H new ATOM 0 HA VAL A 590 3.844 0.519 3.366 1.00 0.00 H new ATOM 0 HB VAL A 590 3.580 0.514 0.331 1.00 0.00 H new ATOM 0 HG11 VAL A 590 5.837 -0.466 0.337 1.00 0.00 H new ATOM 0 HG12 VAL A 590 5.825 1.171 1.036 1.00 0.00 H new ATOM 0 HG13 VAL A 590 5.922 -0.250 2.102 1.00 0.00 H new ATOM 0 HG21 VAL A 590 3.855 -1.925 0.539 1.00 0.00 H new ATOM 0 HG22 VAL A 590 3.855 -1.769 2.312 1.00 0.00 H new ATOM 0 HG23 VAL A 590 2.397 -1.349 1.382 1.00 0.00 H new ATOM 878 N GLN A 591 4.918 2.749 3.171 1.00 0.00 N ATOM 879 CA GLN A 591 5.503 4.083 3.138 1.00 0.00 C ATOM 880 C GLN A 591 6.929 4.039 2.597 1.00 0.00 C ATOM 881 O GLN A 591 7.712 3.159 2.953 1.00 0.00 O ATOM 882 CB GLN A 591 5.494 4.702 4.537 1.00 0.00 C ATOM 883 CG GLN A 591 5.871 6.175 4.553 1.00 0.00 C ATOM 884 CD GLN A 591 6.521 6.596 5.857 1.00 0.00 C ATOM 885 OE1 GLN A 591 7.007 5.762 6.619 1.00 0.00 O ATOM 886 NE2 GLN A 591 6.530 7.898 6.120 1.00 0.00 N ATOM 0 H GLN A 591 5.270 2.152 3.919 1.00 0.00 H new ATOM 0 HA GLN A 591 4.900 4.700 2.472 1.00 0.00 H new ATOM 0 HB2 GLN A 591 4.501 4.585 4.971 1.00 0.00 H new ATOM 0 HB3 GLN A 591 6.187 4.151 5.173 1.00 0.00 H new ATOM 0 HG2 GLN A 591 6.553 6.381 3.728 1.00 0.00 H new ATOM 0 HG3 GLN A 591 4.978 6.777 4.386 1.00 0.00 H new ATOM 0 HE21 GLN A 591 6.115 8.555 5.459 1.00 0.00 H new ATOM 0 HE22 GLN A 591 6.952 8.241 6.983 1.00 0.00 H new ATOM 895 N PHE A 592 7.259 4.995 1.735 1.00 0.00 N ATOM 896 CA PHE A 592 8.590 5.065 1.145 1.00 0.00 C ATOM 897 C PHE A 592 9.264 6.394 1.477 1.00 0.00 C ATOM 898 O PHE A 592 8.607 7.351 1.884 1.00 0.00 O ATOM 899 CB PHE A 592 8.508 4.888 -0.373 1.00 0.00 C ATOM 900 CG PHE A 592 7.939 3.563 -0.792 1.00 0.00 C ATOM 901 CD1 PHE A 592 8.616 2.386 -0.519 1.00 0.00 C ATOM 902 CD2 PHE A 592 6.727 3.494 -1.461 1.00 0.00 C ATOM 903 CE1 PHE A 592 8.096 1.164 -0.903 1.00 0.00 C ATOM 904 CE2 PHE A 592 6.201 2.276 -1.846 1.00 0.00 C ATOM 905 CZ PHE A 592 6.886 1.109 -1.569 1.00 0.00 C ATOM 0 H PHE A 592 6.623 5.732 1.430 1.00 0.00 H new ATOM 0 HA PHE A 592 9.189 4.258 1.567 1.00 0.00 H new ATOM 0 HB2 PHE A 592 7.895 5.686 -0.791 1.00 0.00 H new ATOM 0 HB3 PHE A 592 9.506 4.997 -0.798 1.00 0.00 H new ATOM 0 HD1 PHE A 592 9.562 2.423 0.000 1.00 0.00 H new ATOM 0 HD2 PHE A 592 6.188 4.403 -1.684 1.00 0.00 H new ATOM 0 HE1 PHE A 592 8.634 0.254 -0.683 1.00 0.00 H new ATOM 0 HE2 PHE A 592 5.254 2.236 -2.364 1.00 0.00 H new ATOM 0 HZ PHE A 592 6.477 0.156 -1.872 1.00 0.00 H new ATOM 915 N LYS A 593 10.580 6.442 1.302 1.00 0.00 N ATOM 916 CA LYS A 593 11.346 7.651 1.582 1.00 0.00 C ATOM 917 C LYS A 593 11.191 8.666 0.454 1.00 0.00 C ATOM 918 O LYS A 593 10.934 9.845 0.698 1.00 0.00 O ATOM 919 CB LYS A 593 12.825 7.310 1.775 1.00 0.00 C ATOM 920 CG LYS A 593 13.077 6.309 2.891 1.00 0.00 C ATOM 921 CD LYS A 593 14.560 6.171 3.190 1.00 0.00 C ATOM 922 CE LYS A 593 14.885 4.807 3.781 1.00 0.00 C ATOM 923 NZ LYS A 593 14.883 3.739 2.742 1.00 0.00 N ATOM 0 H LYS A 593 11.139 5.657 0.967 1.00 0.00 H new ATOM 0 HA LYS A 593 10.958 8.092 2.501 1.00 0.00 H new ATOM 0 HB2 LYS A 593 13.222 6.909 0.842 1.00 0.00 H new ATOM 0 HB3 LYS A 593 13.376 8.226 1.988 1.00 0.00 H new ATOM 0 HG2 LYS A 593 12.551 6.626 3.791 1.00 0.00 H new ATOM 0 HG3 LYS A 593 12.670 5.338 2.609 1.00 0.00 H new ATOM 0 HD2 LYS A 593 15.132 6.317 2.274 1.00 0.00 H new ATOM 0 HD3 LYS A 593 14.866 6.952 3.885 1.00 0.00 H new ATOM 0 HE2 LYS A 593 15.862 4.843 4.263 1.00 0.00 H new ATOM 0 HE3 LYS A 593 14.157 4.563 4.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 593 15.271 2.862 3.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 593 13.909 3.571 2.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 593 15.468 4.038 1.936 1.00 0.00 H new ATOM 937 N ASN A 594 11.348 8.201 -0.781 1.00 0.00 N ATOM 938 CA ASN A 594 11.225 9.069 -1.946 1.00 0.00 C ATOM 939 C ASN A 594 10.478 8.362 -3.075 1.00 0.00 C ATOM 940 O ASN A 594 10.402 7.135 -3.107 1.00 0.00 O ATOM 941 CB ASN A 594 12.608 9.507 -2.431 1.00 0.00 C ATOM 942 CG ASN A 594 13.353 10.324 -1.394 1.00 0.00 C ATOM 943 OD1 ASN A 594 13.267 11.552 -1.376 1.00 0.00 O ATOM 944 ND2 ASN A 594 14.090 9.645 -0.522 1.00 0.00 N ATOM 0 H ASN A 594 11.561 7.228 -1.001 1.00 0.00 H new ATOM 0 HA ASN A 594 10.655 9.950 -1.652 1.00 0.00 H new ATOM 0 HB2 ASN A 594 13.196 8.626 -2.686 1.00 0.00 H new ATOM 0 HB3 ASN A 594 12.501 10.094 -3.343 1.00 0.00 H new ATOM 0 HD21 ASN A 594 14.613 10.141 0.199 1.00 0.00 H new ATOM 0 HD22 ASN A 594 14.133 8.627 -0.574 1.00 0.00 H new ATOM 951 N GLU A 595 9.929 9.148 -3.996 1.00 0.00 N ATOM 952 CA GLU A 595 9.188 8.597 -5.125 1.00 0.00 C ATOM 953 C GLU A 595 10.009 7.531 -5.844 1.00 0.00 C ATOM 954 O GLU A 595 9.460 6.675 -6.540 1.00 0.00 O ATOM 955 CB GLU A 595 8.806 9.709 -6.103 1.00 0.00 C ATOM 956 CG GLU A 595 7.801 10.699 -5.538 1.00 0.00 C ATOM 957 CD GLU A 595 6.366 10.257 -5.750 1.00 0.00 C ATOM 958 OE1 GLU A 595 6.149 9.059 -6.031 1.00 0.00 O ATOM 959 OE2 GLU A 595 5.460 11.108 -5.637 1.00 0.00 O ATOM 0 H GLU A 595 9.983 10.166 -3.983 1.00 0.00 H new ATOM 0 HA GLU A 595 8.279 8.134 -4.741 1.00 0.00 H new ATOM 0 HB2 GLU A 595 9.707 10.247 -6.398 1.00 0.00 H new ATOM 0 HB3 GLU A 595 8.393 9.260 -7.006 1.00 0.00 H new ATOM 0 HG2 GLU A 595 7.984 10.828 -4.471 1.00 0.00 H new ATOM 0 HG3 GLU A 595 7.951 11.671 -6.007 1.00 0.00 H new ATOM 966 N ASP A 596 11.325 7.589 -5.674 1.00 0.00 N ATOM 967 CA ASP A 596 12.221 6.628 -6.306 1.00 0.00 C ATOM 968 C ASP A 596 11.788 5.197 -6.000 1.00 0.00 C ATOM 969 O ASP A 596 11.953 4.299 -6.825 1.00 0.00 O ATOM 970 CB ASP A 596 13.658 6.851 -5.833 1.00 0.00 C ATOM 971 CG ASP A 596 14.353 7.964 -6.594 1.00 0.00 C ATOM 972 OD1 ASP A 596 14.664 7.762 -7.787 1.00 0.00 O ATOM 973 OD2 ASP A 596 14.584 9.036 -5.998 1.00 0.00 O ATOM 0 H ASP A 596 11.795 8.292 -5.104 1.00 0.00 H new ATOM 0 HA ASP A 596 12.174 6.780 -7.384 1.00 0.00 H new ATOM 0 HB2 ASP A 596 13.654 7.090 -4.769 1.00 0.00 H new ATOM 0 HB3 ASP A 596 14.223 5.927 -5.950 1.00 0.00 H new ATOM 978 N ASP A 597 11.234 4.994 -4.810 1.00 0.00 N ATOM 979 CA ASP A 597 10.778 3.673 -4.396 1.00 0.00 C ATOM 980 C ASP A 597 9.287 3.503 -4.670 1.00 0.00 C ATOM 981 O ASP A 597 8.817 2.398 -4.937 1.00 0.00 O ATOM 982 CB ASP A 597 11.063 3.454 -2.909 1.00 0.00 C ATOM 983 CG ASP A 597 12.443 3.937 -2.507 1.00 0.00 C ATOM 984 OD1 ASP A 597 13.402 3.145 -2.610 1.00 0.00 O ATOM 985 OD2 ASP A 597 12.564 5.109 -2.090 1.00 0.00 O ATOM 0 H ASP A 597 11.090 5.727 -4.116 1.00 0.00 H new ATOM 0 HA ASP A 597 11.324 2.929 -4.976 1.00 0.00 H new ATOM 0 HB2 ASP A 597 10.312 3.977 -2.317 1.00 0.00 H new ATOM 0 HB3 ASP A 597 10.971 2.393 -2.677 1.00 0.00 H new ATOM 990 N ALA A 598 8.547 4.605 -4.600 1.00 0.00 N ATOM 991 CA ALA A 598 7.110 4.578 -4.841 1.00 0.00 C ATOM 992 C ALA A 598 6.804 4.224 -6.293 1.00 0.00 C ATOM 993 O ALA A 598 6.081 3.267 -6.570 1.00 0.00 O ATOM 994 CB ALA A 598 6.489 5.919 -4.480 1.00 0.00 C ATOM 0 H ALA A 598 8.920 5.528 -4.378 1.00 0.00 H new ATOM 0 HA ALA A 598 6.674 3.806 -4.207 1.00 0.00 H new ATOM 0 HB1 ALA A 598 5.415 5.884 -4.665 1.00 0.00 H new ATOM 0 HB2 ALA A 598 6.669 6.131 -3.426 1.00 0.00 H new ATOM 0 HB3 ALA A 598 6.937 6.703 -5.090 1.00 0.00 H new ATOM 1000 N ARG A 599 7.359 5.002 -7.217 1.00 0.00 N ATOM 1001 CA ARG A 599 7.143 4.773 -8.640 1.00 0.00 C ATOM 1002 C ARG A 599 7.270 3.289 -8.976 1.00 0.00 C ATOM 1003 O ARG A 599 6.739 2.823 -9.984 1.00 0.00 O ATOM 1004 CB ARG A 599 8.145 5.581 -9.467 1.00 0.00 C ATOM 1005 CG ARG A 599 7.861 7.074 -9.477 1.00 0.00 C ATOM 1006 CD ARG A 599 8.646 7.783 -10.571 1.00 0.00 C ATOM 1007 NE ARG A 599 8.207 9.164 -10.752 1.00 0.00 N ATOM 1008 CZ ARG A 599 8.856 10.049 -11.500 1.00 0.00 C ATOM 1009 NH1 ARG A 599 9.968 9.699 -12.131 1.00 0.00 N ATOM 1010 NH2 ARG A 599 8.393 11.287 -11.616 1.00 0.00 N ATOM 0 H ARG A 599 7.962 5.797 -7.005 1.00 0.00 H new ATOM 0 HA ARG A 599 6.133 5.100 -8.886 1.00 0.00 H new ATOM 0 HB2 ARG A 599 9.148 5.413 -9.074 1.00 0.00 H new ATOM 0 HB3 ARG A 599 8.139 5.211 -10.492 1.00 0.00 H new ATOM 0 HG2 ARG A 599 6.794 7.242 -9.626 1.00 0.00 H new ATOM 0 HG3 ARG A 599 8.118 7.501 -8.508 1.00 0.00 H new ATOM 0 HD2 ARG A 599 9.707 7.770 -10.323 1.00 0.00 H new ATOM 0 HD3 ARG A 599 8.531 7.240 -11.509 1.00 0.00 H new ATOM 0 HE ARG A 599 7.356 9.465 -10.278 1.00 0.00 H new ATOM 0 HH11 ARG A 599 10.327 8.748 -12.043 1.00 0.00 H new ATOM 0 HH12 ARG A 599 10.465 10.380 -12.705 1.00 0.00 H new ATOM 0 HH21 ARG A 599 7.538 11.559 -11.131 1.00 0.00 H new ATOM 0 HH22 ARG A 599 8.892 11.966 -12.191 1.00 0.00 H new ATOM 1024 N LYS A 600 7.977 2.554 -8.125 1.00 0.00 N ATOM 1025 CA LYS A 600 8.174 1.124 -8.330 1.00 0.00 C ATOM 1026 C LYS A 600 6.957 0.334 -7.858 1.00 0.00 C ATOM 1027 O LYS A 600 6.401 -0.473 -8.603 1.00 0.00 O ATOM 1028 CB LYS A 600 9.423 0.648 -7.585 1.00 0.00 C ATOM 1029 CG LYS A 600 10.708 0.835 -8.373 1.00 0.00 C ATOM 1030 CD LYS A 600 11.929 0.791 -7.469 1.00 0.00 C ATOM 1031 CE LYS A 600 12.472 -0.624 -7.336 1.00 0.00 C ATOM 1032 NZ LYS A 600 13.315 -1.006 -8.502 1.00 0.00 N ATOM 0 H LYS A 600 8.423 2.925 -7.286 1.00 0.00 H new ATOM 0 HA LYS A 600 8.307 0.951 -9.398 1.00 0.00 H new ATOM 0 HB2 LYS A 600 9.502 1.190 -6.642 1.00 0.00 H new ATOM 0 HB3 LYS A 600 9.308 -0.407 -7.338 1.00 0.00 H new ATOM 0 HG2 LYS A 600 10.787 0.056 -9.131 1.00 0.00 H new ATOM 0 HG3 LYS A 600 10.678 1.789 -8.899 1.00 0.00 H new ATOM 0 HD2 LYS A 600 12.704 1.443 -7.871 1.00 0.00 H new ATOM 0 HD3 LYS A 600 11.668 1.176 -6.483 1.00 0.00 H new ATOM 0 HE2 LYS A 600 13.060 -0.703 -6.421 1.00 0.00 H new ATOM 0 HE3 LYS A 600 11.642 -1.324 -7.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 600 13.666 -1.977 -8.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 600 12.748 -0.955 -9.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 600 14.121 -0.353 -8.576 1.00 0.00 H new ATOM 1046 N SER A 601 6.547 0.573 -6.616 1.00 0.00 N ATOM 1047 CA SER A 601 5.397 -0.118 -6.045 1.00 0.00 C ATOM 1048 C SER A 601 4.181 0.002 -6.959 1.00 0.00 C ATOM 1049 O SER A 601 3.417 -0.948 -7.120 1.00 0.00 O ATOM 1050 CB SER A 601 5.068 0.451 -4.663 1.00 0.00 C ATOM 1051 OG SER A 601 4.206 1.571 -4.765 1.00 0.00 O ATOM 0 H SER A 601 6.994 1.240 -5.986 1.00 0.00 H new ATOM 0 HA SER A 601 5.652 -1.173 -5.945 1.00 0.00 H new ATOM 0 HB2 SER A 601 4.598 -0.319 -4.052 1.00 0.00 H new ATOM 0 HB3 SER A 601 5.989 0.742 -4.157 1.00 0.00 H new ATOM 0 HG SER A 601 4.628 2.259 -5.320 1.00 0.00 H new ATOM 1057 N GLU A 602 4.010 1.179 -7.554 1.00 0.00 N ATOM 1058 CA GLU A 602 2.887 1.424 -8.452 1.00 0.00 C ATOM 1059 C GLU A 602 3.003 0.573 -9.713 1.00 0.00 C ATOM 1060 O GLU A 602 2.003 0.273 -10.365 1.00 0.00 O ATOM 1061 CB GLU A 602 2.821 2.905 -8.828 1.00 0.00 C ATOM 1062 CG GLU A 602 4.008 3.379 -9.650 1.00 0.00 C ATOM 1063 CD GLU A 602 3.731 4.679 -10.380 1.00 0.00 C ATOM 1064 OE1 GLU A 602 2.542 5.016 -10.560 1.00 0.00 O ATOM 1065 OE2 GLU A 602 4.702 5.360 -10.770 1.00 0.00 O ATOM 0 H GLU A 602 4.634 1.977 -7.431 1.00 0.00 H new ATOM 0 HA GLU A 602 1.971 1.147 -7.931 1.00 0.00 H new ATOM 0 HB2 GLU A 602 1.905 3.088 -9.390 1.00 0.00 H new ATOM 0 HB3 GLU A 602 2.760 3.500 -7.917 1.00 0.00 H new ATOM 0 HG2 GLU A 602 4.869 3.511 -8.995 1.00 0.00 H new ATOM 0 HG3 GLU A 602 4.274 2.609 -10.375 1.00 0.00 H new ATOM 1072 N ARG A 603 4.230 0.187 -10.049 1.00 0.00 N ATOM 1073 CA ARG A 603 4.477 -0.627 -11.233 1.00 0.00 C ATOM 1074 C ARG A 603 3.952 -2.047 -11.034 1.00 0.00 C ATOM 1075 O ARG A 603 3.859 -2.825 -11.985 1.00 0.00 O ATOM 1076 CB ARG A 603 5.972 -0.664 -11.549 1.00 0.00 C ATOM 1077 CG ARG A 603 6.278 -0.944 -13.012 1.00 0.00 C ATOM 1078 CD ARG A 603 7.763 -1.192 -13.233 1.00 0.00 C ATOM 1079 NE ARG A 603 8.083 -1.371 -14.646 1.00 0.00 N ATOM 1080 CZ ARG A 603 9.216 -1.912 -15.080 1.00 0.00 C ATOM 1081 NH1 ARG A 603 10.131 -2.325 -14.214 1.00 0.00 N ATOM 1082 NH2 ARG A 603 9.435 -2.043 -16.383 1.00 0.00 N ATOM 0 H ARG A 603 5.068 0.425 -9.518 1.00 0.00 H new ATOM 0 HA ARG A 603 3.947 -0.176 -12.072 1.00 0.00 H new ATOM 0 HB2 ARG A 603 6.418 0.291 -11.269 1.00 0.00 H new ATOM 0 HB3 ARG A 603 6.446 -1.429 -10.934 1.00 0.00 H new ATOM 0 HG2 ARG A 603 5.710 -1.813 -13.344 1.00 0.00 H new ATOM 0 HG3 ARG A 603 5.954 -0.100 -13.621 1.00 0.00 H new ATOM 0 HD2 ARG A 603 8.334 -0.353 -12.835 1.00 0.00 H new ATOM 0 HD3 ARG A 603 8.069 -2.078 -12.677 1.00 0.00 H new ATOM 0 HE ARG A 603 7.399 -1.064 -15.338 1.00 0.00 H new ATOM 0 HH11 ARG A 603 9.966 -2.228 -13.212 1.00 0.00 H new ATOM 0 HH12 ARG A 603 11.000 -2.740 -14.550 1.00 0.00 H new ATOM 0 HH21 ARG A 603 8.733 -1.728 -17.052 1.00 0.00 H new ATOM 0 HH22 ARG A 603 10.305 -2.459 -16.715 1.00 0.00 H new ATOM 1096 N LEU A 604 3.614 -2.378 -9.793 1.00 0.00 N ATOM 1097 CA LEU A 604 3.099 -3.705 -9.469 1.00 0.00 C ATOM 1098 C LEU A 604 1.576 -3.695 -9.393 1.00 0.00 C ATOM 1099 O LEU A 604 0.964 -4.633 -8.881 1.00 0.00 O ATOM 1100 CB LEU A 604 3.685 -4.190 -8.142 1.00 0.00 C ATOM 1101 CG LEU A 604 5.174 -4.536 -8.151 1.00 0.00 C ATOM 1102 CD1 LEU A 604 5.656 -4.859 -6.745 1.00 0.00 C ATOM 1103 CD2 LEU A 604 5.445 -5.702 -9.091 1.00 0.00 C ATOM 0 H LEU A 604 3.687 -1.747 -8.995 1.00 0.00 H new ATOM 0 HA LEU A 604 3.399 -4.388 -10.263 1.00 0.00 H new ATOM 0 HB2 LEU A 604 3.516 -3.419 -7.390 1.00 0.00 H new ATOM 0 HB3 LEU A 604 3.130 -5.072 -7.824 1.00 0.00 H new ATOM 0 HG LEU A 604 5.727 -3.668 -8.512 1.00 0.00 H new ATOM 0 HD11 LEU A 604 6.718 -5.103 -6.771 1.00 0.00 H new ATOM 0 HD12 LEU A 604 5.498 -3.996 -6.099 1.00 0.00 H new ATOM 0 HD13 LEU A 604 5.098 -5.710 -6.356 1.00 0.00 H new ATOM 0 HD21 LEU A 604 6.510 -5.934 -9.085 1.00 0.00 H new ATOM 0 HD22 LEU A 604 4.881 -6.574 -8.761 1.00 0.00 H new ATOM 0 HD23 LEU A 604 5.138 -5.433 -10.102 1.00 0.00 H new ATOM 1115 N HIS A 605 0.970 -2.629 -9.907 1.00 0.00 N ATOM 1116 CA HIS A 605 -0.482 -2.499 -9.900 1.00 0.00 C ATOM 1117 C HIS A 605 -1.132 -3.613 -10.715 1.00 0.00 C ATOM 1118 O HIS A 605 -0.616 -4.015 -11.758 1.00 0.00 O ATOM 1119 CB HIS A 605 -0.896 -1.136 -10.458 1.00 0.00 C ATOM 1120 CG HIS A 605 -2.378 -0.921 -10.477 1.00 0.00 C ATOM 1121 ND1 HIS A 605 -3.209 -1.317 -9.449 1.00 0.00 N ATOM 1122 CD2 HIS A 605 -3.178 -0.348 -11.407 1.00 0.00 C ATOM 1123 CE1 HIS A 605 -4.456 -0.996 -9.748 1.00 0.00 C ATOM 1124 NE2 HIS A 605 -4.463 -0.407 -10.930 1.00 0.00 N ATOM 0 H HIS A 605 1.462 -1.844 -10.333 1.00 0.00 H new ATOM 0 HA HIS A 605 -0.824 -2.581 -8.868 1.00 0.00 H new ATOM 0 HB2 HIS A 605 -0.431 -0.352 -9.861 1.00 0.00 H new ATOM 0 HB3 HIS A 605 -0.510 -1.035 -11.472 1.00 0.00 H new ATOM 0 HD2 HIS A 605 -2.863 0.076 -12.349 1.00 0.00 H new ATOM 0 HE1 HIS A 605 -5.322 -1.184 -9.131 1.00 0.00 H new ATOM 0 HE2 HIS A 605 -5.290 -0.053 -11.411 1.00 0.00 H new ATOM 1132 N ARG A 606 -2.267 -4.108 -10.232 1.00 0.00 N ATOM 1133 CA ARG A 606 -2.986 -5.177 -10.914 1.00 0.00 C ATOM 1134 C ARG A 606 -2.158 -6.458 -10.942 1.00 0.00 C ATOM 1135 O ARG A 606 -2.183 -7.206 -11.920 1.00 0.00 O ATOM 1136 CB ARG A 606 -3.338 -4.754 -12.342 1.00 0.00 C ATOM 1137 CG ARG A 606 -4.187 -3.495 -12.412 1.00 0.00 C ATOM 1138 CD ARG A 606 -4.565 -3.158 -13.846 1.00 0.00 C ATOM 1139 NE ARG A 606 -3.422 -2.667 -14.612 1.00 0.00 N ATOM 1140 CZ ARG A 606 -2.552 -3.462 -15.225 1.00 0.00 C ATOM 1141 NH1 ARG A 606 -2.694 -4.778 -15.163 1.00 0.00 N ATOM 1142 NH2 ARG A 606 -1.539 -2.940 -15.903 1.00 0.00 N ATOM 0 H ARG A 606 -2.708 -3.786 -9.371 1.00 0.00 H new ATOM 0 HA ARG A 606 -3.906 -5.371 -10.362 1.00 0.00 H new ATOM 0 HB2 ARG A 606 -2.417 -4.592 -12.902 1.00 0.00 H new ATOM 0 HB3 ARG A 606 -3.870 -5.569 -12.833 1.00 0.00 H new ATOM 0 HG2 ARG A 606 -5.091 -3.631 -11.818 1.00 0.00 H new ATOM 0 HG3 ARG A 606 -3.640 -2.661 -11.973 1.00 0.00 H new ATOM 0 HD2 ARG A 606 -4.973 -4.045 -14.331 1.00 0.00 H new ATOM 0 HD3 ARG A 606 -5.352 -2.404 -13.846 1.00 0.00 H new ATOM 0 HE ARG A 606 -3.284 -1.659 -14.680 1.00 0.00 H new ATOM 0 HH11 ARG A 606 -3.473 -5.183 -14.644 1.00 0.00 H new ATOM 0 HH12 ARG A 606 -2.024 -5.386 -15.635 1.00 0.00 H new ATOM 0 HH21 ARG A 606 -1.427 -1.927 -15.954 1.00 0.00 H new ATOM 0 HH22 ARG A 606 -0.871 -3.551 -16.373 1.00 0.00 H new ATOM 1156 N LYS A 607 -1.422 -6.705 -9.863 1.00 0.00 N ATOM 1157 CA LYS A 607 -0.587 -7.895 -9.761 1.00 0.00 C ATOM 1158 C LYS A 607 -1.377 -9.067 -9.190 1.00 0.00 C ATOM 1159 O LYS A 607 -2.486 -8.895 -8.684 1.00 0.00 O ATOM 1160 CB LYS A 607 0.634 -7.612 -8.882 1.00 0.00 C ATOM 1161 CG LYS A 607 1.830 -7.083 -9.655 1.00 0.00 C ATOM 1162 CD LYS A 607 2.536 -8.190 -10.419 1.00 0.00 C ATOM 1163 CE LYS A 607 3.485 -7.628 -11.466 1.00 0.00 C ATOM 1164 NZ LYS A 607 4.364 -8.684 -12.041 1.00 0.00 N ATOM 0 H LYS A 607 -1.387 -6.095 -9.046 1.00 0.00 H new ATOM 0 HA LYS A 607 -0.252 -8.160 -10.764 1.00 0.00 H new ATOM 0 HB2 LYS A 607 0.359 -6.888 -8.115 1.00 0.00 H new ATOM 0 HB3 LYS A 607 0.921 -8.529 -8.367 1.00 0.00 H new ATOM 0 HG2 LYS A 607 1.501 -6.312 -10.352 1.00 0.00 H new ATOM 0 HG3 LYS A 607 2.530 -6.612 -8.965 1.00 0.00 H new ATOM 0 HD2 LYS A 607 3.092 -8.817 -9.722 1.00 0.00 H new ATOM 0 HD3 LYS A 607 1.797 -8.829 -10.902 1.00 0.00 H new ATOM 0 HE2 LYS A 607 2.909 -7.160 -12.265 1.00 0.00 H new ATOM 0 HE3 LYS A 607 4.100 -6.848 -11.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 607 4.996 -8.261 -12.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 607 4.932 -9.113 -11.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 607 3.778 -9.416 -12.491 1.00 0.00 H new ATOM 1178 N LYS A 608 -0.798 -10.261 -9.272 1.00 0.00 N ATOM 1179 CA LYS A 608 -1.446 -11.463 -8.761 1.00 0.00 C ATOM 1180 C LYS A 608 -0.683 -12.027 -7.566 1.00 0.00 C ATOM 1181 O LYS A 608 0.447 -12.499 -7.705 1.00 0.00 O ATOM 1182 CB LYS A 608 -1.545 -12.521 -9.862 1.00 0.00 C ATOM 1183 CG LYS A 608 -2.559 -12.184 -10.941 1.00 0.00 C ATOM 1184 CD LYS A 608 -3.138 -13.438 -11.574 1.00 0.00 C ATOM 1185 CE LYS A 608 -2.316 -13.889 -12.770 1.00 0.00 C ATOM 1186 NZ LYS A 608 -1.231 -14.829 -12.374 1.00 0.00 N ATOM 0 H LYS A 608 0.119 -10.421 -9.688 1.00 0.00 H new ATOM 0 HA LYS A 608 -2.450 -11.193 -8.434 1.00 0.00 H new ATOM 0 HB2 LYS A 608 -0.565 -12.646 -10.323 1.00 0.00 H new ATOM 0 HB3 LYS A 608 -1.810 -13.478 -9.412 1.00 0.00 H new ATOM 0 HG2 LYS A 608 -3.364 -11.587 -10.512 1.00 0.00 H new ATOM 0 HG3 LYS A 608 -2.085 -11.573 -11.709 1.00 0.00 H new ATOM 0 HD2 LYS A 608 -3.174 -14.237 -10.834 1.00 0.00 H new ATOM 0 HD3 LYS A 608 -4.164 -13.248 -11.888 1.00 0.00 H new ATOM 0 HE2 LYS A 608 -2.968 -14.373 -13.497 1.00 0.00 H new ATOM 0 HE3 LYS A 608 -1.881 -13.018 -13.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 608 -0.693 -15.113 -13.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 608 -0.594 -14.359 -11.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 608 -1.647 -15.672 -11.928 1.00 0.00 H new ATOM 1200 N LEU A 609 -1.306 -11.975 -6.395 1.00 0.00 N ATOM 1201 CA LEU A 609 -0.686 -12.482 -5.176 1.00 0.00 C ATOM 1202 C LEU A 609 -1.438 -13.700 -4.647 1.00 0.00 C ATOM 1203 O LEU A 609 -2.590 -13.595 -4.228 1.00 0.00 O ATOM 1204 CB LEU A 609 -0.648 -11.389 -4.106 1.00 0.00 C ATOM 1205 CG LEU A 609 0.001 -11.773 -2.776 1.00 0.00 C ATOM 1206 CD1 LEU A 609 0.401 -10.529 -1.998 1.00 0.00 C ATOM 1207 CD2 LEU A 609 -0.941 -12.639 -1.953 1.00 0.00 C ATOM 0 H LEU A 609 -2.240 -11.587 -6.263 1.00 0.00 H new ATOM 0 HA LEU A 609 0.334 -12.783 -5.416 1.00 0.00 H new ATOM 0 HB2 LEU A 609 -0.115 -10.529 -4.512 1.00 0.00 H new ATOM 0 HB3 LEU A 609 -1.670 -11.066 -3.909 1.00 0.00 H new ATOM 0 HG LEU A 609 0.902 -12.350 -2.987 1.00 0.00 H new ATOM 0 HD11 LEU A 609 0.861 -10.822 -1.054 1.00 0.00 H new ATOM 0 HD12 LEU A 609 1.113 -9.947 -2.583 1.00 0.00 H new ATOM 0 HD13 LEU A 609 -0.484 -9.925 -1.798 1.00 0.00 H new ATOM 0 HD21 LEU A 609 -0.462 -12.903 -1.010 1.00 0.00 H new ATOM 0 HD22 LEU A 609 -1.860 -12.088 -1.752 1.00 0.00 H new ATOM 0 HD23 LEU A 609 -1.177 -13.548 -2.507 1.00 0.00 H new ATOM 1219 N ASN A 610 -0.777 -14.852 -4.670 1.00 0.00 N ATOM 1220 CA ASN A 610 -1.384 -16.090 -4.193 1.00 0.00 C ATOM 1221 C ASN A 610 -2.690 -16.375 -4.927 1.00 0.00 C ATOM 1222 O ASN A 610 -3.660 -16.842 -4.332 1.00 0.00 O ATOM 1223 CB ASN A 610 -1.640 -16.009 -2.686 1.00 0.00 C ATOM 1224 CG ASN A 610 -0.355 -16.010 -1.881 1.00 0.00 C ATOM 1225 OD1 ASN A 610 0.658 -15.453 -2.305 1.00 0.00 O ATOM 1226 ND2 ASN A 610 -0.391 -16.639 -0.712 1.00 0.00 N ATOM 0 H ASN A 610 0.178 -14.955 -5.013 1.00 0.00 H new ATOM 0 HA ASN A 610 -0.690 -16.906 -4.394 1.00 0.00 H new ATOM 0 HB2 ASN A 610 -2.204 -15.103 -2.464 1.00 0.00 H new ATOM 0 HB3 ASN A 610 -2.258 -16.853 -2.379 1.00 0.00 H new ATOM 0 HD21 ASN A 610 0.443 -16.674 -0.126 1.00 0.00 H new ATOM 0 HD22 ASN A 610 -1.253 -17.087 -0.400 1.00 0.00 H new ATOM 1233 N GLY A 611 -2.707 -16.090 -6.226 1.00 0.00 N ATOM 1234 CA GLY A 611 -3.899 -16.323 -7.021 1.00 0.00 C ATOM 1235 C GLY A 611 -4.994 -15.315 -6.733 1.00 0.00 C ATOM 1236 O GLY A 611 -6.175 -15.599 -6.929 1.00 0.00 O ATOM 0 H GLY A 611 -1.917 -15.702 -6.742 1.00 0.00 H new ATOM 0 HA2 GLY A 611 -3.640 -16.281 -8.079 1.00 0.00 H new ATOM 0 HA3 GLY A 611 -4.273 -17.328 -6.824 1.00 0.00 H new ATOM 1240 N ARG A 612 -4.600 -14.135 -6.265 1.00 0.00 N ATOM 1241 CA ARG A 612 -5.558 -13.082 -5.947 1.00 0.00 C ATOM 1242 C ARG A 612 -5.085 -11.735 -6.487 1.00 0.00 C ATOM 1243 O ARG A 612 -4.097 -11.178 -6.011 1.00 0.00 O ATOM 1244 CB ARG A 612 -5.765 -12.992 -4.433 1.00 0.00 C ATOM 1245 CG ARG A 612 -6.662 -14.085 -3.876 1.00 0.00 C ATOM 1246 CD ARG A 612 -8.123 -13.661 -3.876 1.00 0.00 C ATOM 1247 NE ARG A 612 -9.025 -14.808 -3.889 1.00 0.00 N ATOM 1248 CZ ARG A 612 -10.307 -14.739 -3.548 1.00 0.00 C ATOM 1249 NH1 ARG A 612 -10.835 -13.581 -3.171 1.00 0.00 N ATOM 1250 NH2 ARG A 612 -11.066 -15.827 -3.586 1.00 0.00 N ATOM 0 H ARG A 612 -3.626 -13.884 -6.098 1.00 0.00 H new ATOM 0 HA ARG A 612 -6.506 -13.332 -6.423 1.00 0.00 H new ATOM 0 HB2 ARG A 612 -4.795 -13.042 -3.938 1.00 0.00 H new ATOM 0 HB3 ARG A 612 -6.196 -12.021 -4.191 1.00 0.00 H new ATOM 0 HG2 ARG A 612 -6.545 -14.991 -4.470 1.00 0.00 H new ATOM 0 HG3 ARG A 612 -6.353 -14.328 -2.860 1.00 0.00 H new ATOM 0 HD2 ARG A 612 -8.324 -13.052 -2.995 1.00 0.00 H new ATOM 0 HD3 ARG A 612 -8.319 -13.036 -4.747 1.00 0.00 H new ATOM 0 HE ARG A 612 -8.651 -15.712 -4.176 1.00 0.00 H new ATOM 0 HH11 ARG A 612 -10.256 -12.742 -3.143 1.00 0.00 H new ATOM 0 HH12 ARG A 612 -11.820 -13.530 -2.910 1.00 0.00 H new ATOM 0 HH21 ARG A 612 -10.665 -16.719 -3.877 1.00 0.00 H new ATOM 0 HH22 ARG A 612 -12.050 -15.772 -3.324 1.00 0.00 H new ATOM 1264 N GLU A 613 -5.796 -11.221 -7.485 1.00 0.00 N ATOM 1265 CA GLU A 613 -5.448 -9.942 -8.091 1.00 0.00 C ATOM 1266 C GLU A 613 -5.541 -8.812 -7.068 1.00 0.00 C ATOM 1267 O GLU A 613 -6.580 -8.615 -6.439 1.00 0.00 O ATOM 1268 CB GLU A 613 -6.366 -9.646 -9.278 1.00 0.00 C ATOM 1269 CG GLU A 613 -5.892 -10.263 -10.582 1.00 0.00 C ATOM 1270 CD GLU A 613 -4.921 -9.370 -11.332 1.00 0.00 C ATOM 1271 OE1 GLU A 613 -4.942 -8.144 -11.095 1.00 0.00 O ATOM 1272 OE2 GLU A 613 -4.142 -9.897 -12.152 1.00 0.00 O ATOM 0 H GLU A 613 -6.617 -11.671 -7.891 1.00 0.00 H new ATOM 0 HA GLU A 613 -4.419 -10.006 -8.445 1.00 0.00 H new ATOM 0 HB2 GLU A 613 -7.367 -10.015 -9.054 1.00 0.00 H new ATOM 0 HB3 GLU A 613 -6.446 -8.566 -9.404 1.00 0.00 H new ATOM 0 HG2 GLU A 613 -5.413 -11.220 -10.374 1.00 0.00 H new ATOM 0 HG3 GLU A 613 -6.754 -10.469 -11.216 1.00 0.00 H new ATOM 1279 N ALA A 614 -4.448 -8.074 -6.908 1.00 0.00 N ATOM 1280 CA ALA A 614 -4.406 -6.965 -5.964 1.00 0.00 C ATOM 1281 C ALA A 614 -4.321 -5.628 -6.693 1.00 0.00 C ATOM 1282 O ALA A 614 -3.869 -5.559 -7.836 1.00 0.00 O ATOM 1283 CB ALA A 614 -3.229 -7.125 -5.013 1.00 0.00 C ATOM 0 H ALA A 614 -3.579 -8.224 -7.421 1.00 0.00 H new ATOM 0 HA ALA A 614 -5.330 -6.977 -5.386 1.00 0.00 H new ATOM 0 HB1 ALA A 614 -3.210 -6.289 -4.313 1.00 0.00 H new ATOM 0 HB2 ALA A 614 -3.332 -8.059 -4.460 1.00 0.00 H new ATOM 0 HB3 ALA A 614 -2.300 -7.142 -5.583 1.00 0.00 H new ATOM 1289 N PHE A 615 -4.760 -4.566 -6.023 1.00 0.00 N ATOM 1290 CA PHE A 615 -4.736 -3.230 -6.609 1.00 0.00 C ATOM 1291 C PHE A 615 -3.911 -2.276 -5.750 1.00 0.00 C ATOM 1292 O PHE A 615 -4.211 -2.062 -4.576 1.00 0.00 O ATOM 1293 CB PHE A 615 -6.160 -2.693 -6.764 1.00 0.00 C ATOM 1294 CG PHE A 615 -7.003 -3.493 -7.715 1.00 0.00 C ATOM 1295 CD1 PHE A 615 -6.578 -3.721 -9.014 1.00 0.00 C ATOM 1296 CD2 PHE A 615 -8.220 -4.018 -7.310 1.00 0.00 C ATOM 1297 CE1 PHE A 615 -7.351 -4.457 -9.891 1.00 0.00 C ATOM 1298 CE2 PHE A 615 -8.998 -4.755 -8.183 1.00 0.00 C ATOM 1299 CZ PHE A 615 -8.562 -4.975 -9.475 1.00 0.00 C ATOM 0 H PHE A 615 -5.136 -4.605 -5.076 1.00 0.00 H new ATOM 0 HA PHE A 615 -4.272 -3.299 -7.593 1.00 0.00 H new ATOM 0 HB2 PHE A 615 -6.643 -2.679 -5.787 1.00 0.00 H new ATOM 0 HB3 PHE A 615 -6.115 -1.661 -7.112 1.00 0.00 H new ATOM 0 HD1 PHE A 615 -5.632 -3.319 -9.345 1.00 0.00 H new ATOM 0 HD2 PHE A 615 -8.565 -3.849 -6.300 1.00 0.00 H new ATOM 0 HE1 PHE A 615 -7.009 -4.627 -10.901 1.00 0.00 H new ATOM 0 HE2 PHE A 615 -9.945 -5.158 -7.856 1.00 0.00 H new ATOM 0 HZ PHE A 615 -9.167 -5.551 -10.159 1.00 0.00 H new ATOM 1309 N VAL A 616 -2.868 -1.705 -6.345 1.00 0.00 N ATOM 1310 CA VAL A 616 -1.999 -0.774 -5.637 1.00 0.00 C ATOM 1311 C VAL A 616 -2.264 0.664 -6.070 1.00 0.00 C ATOM 1312 O VAL A 616 -2.004 1.037 -7.215 1.00 0.00 O ATOM 1313 CB VAL A 616 -0.513 -1.104 -5.872 1.00 0.00 C ATOM 1314 CG1 VAL A 616 0.375 -0.178 -5.055 1.00 0.00 C ATOM 1315 CG2 VAL A 616 -0.230 -2.560 -5.537 1.00 0.00 C ATOM 0 H VAL A 616 -2.605 -1.872 -7.316 1.00 0.00 H new ATOM 0 HA VAL A 616 -2.223 -0.877 -4.575 1.00 0.00 H new ATOM 0 HB VAL A 616 -0.287 -0.948 -6.927 1.00 0.00 H new ATOM 0 HG11 VAL A 616 1.421 -0.426 -5.234 1.00 0.00 H new ATOM 0 HG12 VAL A 616 0.192 0.855 -5.349 1.00 0.00 H new ATOM 0 HG13 VAL A 616 0.149 -0.299 -3.995 1.00 0.00 H new ATOM 0 HG21 VAL A 616 0.825 -2.775 -5.709 1.00 0.00 H new ATOM 0 HG22 VAL A 616 -0.472 -2.746 -4.491 1.00 0.00 H new ATOM 0 HG23 VAL A 616 -0.839 -3.204 -6.171 1.00 0.00 H new ATOM 1325 N HIS A 617 -2.784 1.467 -5.149 1.00 0.00 N ATOM 1326 CA HIS A 617 -3.084 2.866 -5.435 1.00 0.00 C ATOM 1327 C HIS A 617 -2.072 3.788 -4.761 1.00 0.00 C ATOM 1328 O HIS A 617 -1.828 3.685 -3.559 1.00 0.00 O ATOM 1329 CB HIS A 617 -4.498 3.213 -4.967 1.00 0.00 C ATOM 1330 CG HIS A 617 -5.575 2.618 -5.822 1.00 0.00 C ATOM 1331 ND1 HIS A 617 -6.026 1.325 -5.672 1.00 0.00 N ATOM 1332 CD2 HIS A 617 -6.290 3.150 -6.840 1.00 0.00 C ATOM 1333 CE1 HIS A 617 -6.973 1.085 -6.563 1.00 0.00 C ATOM 1334 NE2 HIS A 617 -7.153 2.177 -7.283 1.00 0.00 N ATOM 0 H HIS A 617 -3.007 1.174 -4.198 1.00 0.00 H new ATOM 0 HA HIS A 617 -3.020 3.012 -6.513 1.00 0.00 H new ATOM 0 HB2 HIS A 617 -4.627 2.868 -3.941 1.00 0.00 H new ATOM 0 HB3 HIS A 617 -4.612 4.297 -4.955 1.00 0.00 H new ATOM 0 HD2 HIS A 617 -6.199 4.152 -7.231 1.00 0.00 H new ATOM 0 HE1 HIS A 617 -7.508 0.154 -6.682 1.00 0.00 H new ATOM 0 HE2 HIS A 617 -7.824 2.281 -8.044 1.00 0.00 H new ATOM 1342 N VAL A 618 -1.486 4.689 -5.545 1.00 0.00 N ATOM 1343 CA VAL A 618 -0.501 5.629 -5.023 1.00 0.00 C ATOM 1344 C VAL A 618 -1.177 6.859 -4.428 1.00 0.00 C ATOM 1345 O VAL A 618 -2.001 7.503 -5.076 1.00 0.00 O ATOM 1346 CB VAL A 618 0.481 6.077 -6.121 1.00 0.00 C ATOM 1347 CG1 VAL A 618 1.465 7.100 -5.573 1.00 0.00 C ATOM 1348 CG2 VAL A 618 1.215 4.878 -6.702 1.00 0.00 C ATOM 0 H VAL A 618 -1.676 4.787 -6.542 1.00 0.00 H new ATOM 0 HA VAL A 618 0.052 5.108 -4.241 1.00 0.00 H new ATOM 0 HB VAL A 618 -0.088 6.548 -6.922 1.00 0.00 H new ATOM 0 HG11 VAL A 618 2.151 7.405 -6.363 1.00 0.00 H new ATOM 0 HG12 VAL A 618 0.920 7.971 -5.210 1.00 0.00 H new ATOM 0 HG13 VAL A 618 2.030 6.658 -4.753 1.00 0.00 H new ATOM 0 HG21 VAL A 618 1.905 5.214 -7.476 1.00 0.00 H new ATOM 0 HG22 VAL A 618 1.773 4.375 -5.912 1.00 0.00 H new ATOM 0 HG23 VAL A 618 0.494 4.184 -7.134 1.00 0.00 H new ATOM 1358 N VAL A 619 -0.821 7.179 -3.187 1.00 0.00 N ATOM 1359 CA VAL A 619 -1.393 8.333 -2.503 1.00 0.00 C ATOM 1360 C VAL A 619 -0.345 9.038 -1.647 1.00 0.00 C ATOM 1361 O VAL A 619 0.674 8.450 -1.283 1.00 0.00 O ATOM 1362 CB VAL A 619 -2.580 7.926 -1.610 1.00 0.00 C ATOM 1363 CG1 VAL A 619 -3.724 7.390 -2.456 1.00 0.00 C ATOM 1364 CG2 VAL A 619 -2.142 6.898 -0.578 1.00 0.00 C ATOM 0 H VAL A 619 -0.140 6.656 -2.636 1.00 0.00 H new ATOM 0 HA VAL A 619 -1.748 9.015 -3.275 1.00 0.00 H new ATOM 0 HB VAL A 619 -2.934 8.810 -1.080 1.00 0.00 H new ATOM 0 HG11 VAL A 619 -4.554 7.107 -1.808 1.00 0.00 H new ATOM 0 HG12 VAL A 619 -4.054 8.161 -3.153 1.00 0.00 H new ATOM 0 HG13 VAL A 619 -3.386 6.517 -3.014 1.00 0.00 H new ATOM 0 HG21 VAL A 619 -2.993 6.622 0.044 1.00 0.00 H new ATOM 0 HG22 VAL A 619 -1.761 6.012 -1.086 1.00 0.00 H new ATOM 0 HG23 VAL A 619 -1.357 7.323 0.048 1.00 0.00 H new ATOM 1374 N THR A 620 -0.603 10.303 -1.329 1.00 0.00 N ATOM 1375 CA THR A 620 0.317 11.088 -0.516 1.00 0.00 C ATOM 1376 C THR A 620 0.353 10.581 0.921 1.00 0.00 C ATOM 1377 O THR A 620 -0.633 10.041 1.424 1.00 0.00 O ATOM 1378 CB THR A 620 -0.071 12.579 -0.512 1.00 0.00 C ATOM 1379 OG1 THR A 620 -1.433 12.730 -0.096 1.00 0.00 O ATOM 1380 CG2 THR A 620 0.114 13.190 -1.893 1.00 0.00 C ATOM 0 H THR A 620 -1.441 10.805 -1.622 1.00 0.00 H new ATOM 0 HA THR A 620 1.306 10.977 -0.962 1.00 0.00 H new ATOM 0 HB THR A 620 0.582 13.100 0.189 1.00 0.00 H new ATOM 0 HG1 THR A 620 -1.671 13.681 -0.095 1.00 0.00 H new ATOM 0 HG21 THR A 620 -0.166 14.243 -1.865 1.00 0.00 H new ATOM 0 HG22 THR A 620 1.158 13.100 -2.194 1.00 0.00 H new ATOM 0 HG23 THR A 620 -0.517 12.665 -2.610 1.00 0.00 H new ATOM 1388 N LEU A 621 1.493 10.757 1.578 1.00 0.00 N ATOM 1389 CA LEU A 621 1.658 10.318 2.959 1.00 0.00 C ATOM 1390 C LEU A 621 0.451 10.714 3.804 1.00 0.00 C ATOM 1391 O LEU A 621 -0.101 9.893 4.535 1.00 0.00 O ATOM 1392 CB LEU A 621 2.931 10.917 3.558 1.00 0.00 C ATOM 1393 CG LEU A 621 3.117 10.730 5.064 1.00 0.00 C ATOM 1394 CD1 LEU A 621 3.156 9.251 5.418 1.00 0.00 C ATOM 1395 CD2 LEU A 621 4.386 11.426 5.536 1.00 0.00 C ATOM 0 H LEU A 621 2.318 11.201 1.176 1.00 0.00 H new ATOM 0 HA LEU A 621 1.740 9.231 2.960 1.00 0.00 H new ATOM 0 HB2 LEU A 621 3.789 10.478 3.049 1.00 0.00 H new ATOM 0 HB3 LEU A 621 2.943 11.985 3.341 1.00 0.00 H new ATOM 0 HG LEU A 621 2.267 11.183 5.574 1.00 0.00 H new ATOM 0 HD11 LEU A 621 3.289 9.138 6.494 1.00 0.00 H new ATOM 0 HD12 LEU A 621 2.220 8.780 5.116 1.00 0.00 H new ATOM 0 HD13 LEU A 621 3.987 8.774 4.898 1.00 0.00 H new ATOM 0 HD21 LEU A 621 4.502 11.282 6.610 1.00 0.00 H new ATOM 0 HD22 LEU A 621 5.247 11.003 5.018 1.00 0.00 H new ATOM 0 HD23 LEU A 621 4.319 12.492 5.318 1.00 0.00 H new ATOM 1407 N GLU A 622 0.046 11.974 3.694 1.00 0.00 N ATOM 1408 CA GLU A 622 -1.097 12.478 4.447 1.00 0.00 C ATOM 1409 C GLU A 622 -2.279 11.517 4.349 1.00 0.00 C ATOM 1410 O GLU A 622 -2.907 11.184 5.355 1.00 0.00 O ATOM 1411 CB GLU A 622 -1.506 13.860 3.934 1.00 0.00 C ATOM 1412 CG GLU A 622 -2.522 14.562 4.820 1.00 0.00 C ATOM 1413 CD GLU A 622 -1.880 15.261 6.002 1.00 0.00 C ATOM 1414 OE1 GLU A 622 -1.478 16.435 5.851 1.00 0.00 O ATOM 1415 OE2 GLU A 622 -1.778 14.635 7.078 1.00 0.00 O ATOM 0 H GLU A 622 0.492 12.665 3.091 1.00 0.00 H new ATOM 0 HA GLU A 622 -0.802 12.560 5.493 1.00 0.00 H new ATOM 0 HB2 GLU A 622 -0.617 14.485 3.850 1.00 0.00 H new ATOM 0 HB3 GLU A 622 -1.920 13.758 2.931 1.00 0.00 H new ATOM 0 HG2 GLU A 622 -3.073 15.292 4.227 1.00 0.00 H new ATOM 0 HG3 GLU A 622 -3.247 13.833 5.183 1.00 0.00 H new ATOM 1422 N ASP A 623 -2.575 11.076 3.132 1.00 0.00 N ATOM 1423 CA ASP A 623 -3.681 10.152 2.902 1.00 0.00 C ATOM 1424 C ASP A 623 -3.496 8.872 3.710 1.00 0.00 C ATOM 1425 O ASP A 623 -4.421 8.407 4.375 1.00 0.00 O ATOM 1426 CB ASP A 623 -3.793 9.819 1.413 1.00 0.00 C ATOM 1427 CG ASP A 623 -5.208 9.459 1.007 1.00 0.00 C ATOM 1428 OD1 ASP A 623 -5.750 8.474 1.551 1.00 0.00 O ATOM 1429 OD2 ASP A 623 -5.774 10.161 0.143 1.00 0.00 O ATOM 0 H ASP A 623 -2.066 11.343 2.289 1.00 0.00 H new ATOM 0 HA ASP A 623 -4.601 10.636 3.228 1.00 0.00 H new ATOM 0 HB2 ASP A 623 -3.456 10.673 0.826 1.00 0.00 H new ATOM 0 HB3 ASP A 623 -3.128 8.988 1.178 1.00 0.00 H new ATOM 1434 N MET A 624 -2.296 8.305 3.645 1.00 0.00 N ATOM 1435 CA MET A 624 -1.991 7.078 4.371 1.00 0.00 C ATOM 1436 C MET A 624 -2.286 7.238 5.859 1.00 0.00 C ATOM 1437 O MET A 624 -2.903 6.369 6.476 1.00 0.00 O ATOM 1438 CB MET A 624 -0.523 6.691 4.170 1.00 0.00 C ATOM 1439 CG MET A 624 -0.145 5.378 4.833 1.00 0.00 C ATOM 1440 SD MET A 624 1.639 5.173 4.999 1.00 0.00 S ATOM 1441 CE MET A 624 1.839 5.374 6.768 1.00 0.00 C ATOM 0 H MET A 624 -1.519 8.675 3.097 1.00 0.00 H new ATOM 0 HA MET A 624 -2.626 6.285 3.975 1.00 0.00 H new ATOM 0 HB2 MET A 624 -0.317 6.622 3.102 1.00 0.00 H new ATOM 0 HB3 MET A 624 0.111 7.484 4.566 1.00 0.00 H new ATOM 0 HG2 MET A 624 -0.606 5.327 5.819 1.00 0.00 H new ATOM 0 HG3 MET A 624 -0.549 4.551 4.249 1.00 0.00 H new ATOM 0 HE1 MET A 624 2.893 5.274 7.029 1.00 0.00 H new ATOM 0 HE2 MET A 624 1.484 6.361 7.064 1.00 0.00 H new ATOM 0 HE3 MET A 624 1.262 4.610 7.289 1.00 0.00 H new ATOM 1451 N ARG A 625 -1.842 8.354 6.429 1.00 0.00 N ATOM 1452 CA ARG A 625 -2.058 8.626 7.845 1.00 0.00 C ATOM 1453 C ARG A 625 -3.545 8.586 8.185 1.00 0.00 C ATOM 1454 O ARG A 625 -3.944 8.008 9.196 1.00 0.00 O ATOM 1455 CB ARG A 625 -1.476 9.991 8.218 1.00 0.00 C ATOM 1456 CG ARG A 625 -1.042 10.090 9.672 1.00 0.00 C ATOM 1457 CD ARG A 625 -0.827 11.537 10.090 1.00 0.00 C ATOM 1458 NE ARG A 625 -0.984 11.718 11.530 1.00 0.00 N ATOM 1459 CZ ARG A 625 -0.120 11.256 12.428 1.00 0.00 C ATOM 1460 NH1 ARG A 625 0.956 10.588 12.034 1.00 0.00 N ATOM 1461 NH2 ARG A 625 -0.332 11.462 13.721 1.00 0.00 N ATOM 0 H ARG A 625 -1.331 9.084 5.932 1.00 0.00 H new ATOM 0 HA ARG A 625 -1.550 7.852 8.420 1.00 0.00 H new ATOM 0 HB2 ARG A 625 -0.620 10.199 7.577 1.00 0.00 H new ATOM 0 HB3 ARG A 625 -2.220 10.762 8.016 1.00 0.00 H new ATOM 0 HG2 ARG A 625 -1.798 9.634 10.311 1.00 0.00 H new ATOM 0 HG3 ARG A 625 -0.120 9.527 9.817 1.00 0.00 H new ATOM 0 HD2 ARG A 625 0.171 11.857 9.791 1.00 0.00 H new ATOM 0 HD3 ARG A 625 -1.537 12.176 9.565 1.00 0.00 H new ATOM 0 HE ARG A 625 -1.802 12.227 11.865 1.00 0.00 H new ATOM 0 HH11 ARG A 625 1.122 10.428 11.040 1.00 0.00 H new ATOM 0 HH12 ARG A 625 1.618 10.234 12.725 1.00 0.00 H new ATOM 0 HH21 ARG A 625 -1.159 11.975 14.027 1.00 0.00 H new ATOM 0 HH22 ARG A 625 0.332 11.107 14.410 1.00 0.00 H new ATOM 1475 N GLU A 626 -4.359 9.203 7.335 1.00 0.00 N ATOM 1476 CA GLU A 626 -5.801 9.238 7.547 1.00 0.00 C ATOM 1477 C GLU A 626 -6.385 7.829 7.549 1.00 0.00 C ATOM 1478 O GLU A 626 -7.011 7.406 8.522 1.00 0.00 O ATOM 1479 CB GLU A 626 -6.478 10.082 6.466 1.00 0.00 C ATOM 1480 CG GLU A 626 -6.273 11.577 6.641 1.00 0.00 C ATOM 1481 CD GLU A 626 -6.683 12.370 5.416 1.00 0.00 C ATOM 1482 OE1 GLU A 626 -5.907 12.392 4.437 1.00 0.00 O ATOM 1483 OE2 GLU A 626 -7.779 12.969 5.435 1.00 0.00 O ATOM 0 H GLU A 626 -4.045 9.685 6.493 1.00 0.00 H new ATOM 0 HA GLU A 626 -5.988 9.691 8.521 1.00 0.00 H new ATOM 0 HB2 GLU A 626 -6.094 9.783 5.491 1.00 0.00 H new ATOM 0 HB3 GLU A 626 -7.547 9.868 6.467 1.00 0.00 H new ATOM 0 HG2 GLU A 626 -6.848 11.920 7.501 1.00 0.00 H new ATOM 0 HG3 GLU A 626 -5.224 11.773 6.861 1.00 0.00 H new ATOM 1490 N ILE A 627 -6.177 7.106 6.454 1.00 0.00 N ATOM 1491 CA ILE A 627 -6.682 5.745 6.329 1.00 0.00 C ATOM 1492 C ILE A 627 -6.406 4.939 7.592 1.00 0.00 C ATOM 1493 O ILE A 627 -7.330 4.442 8.237 1.00 0.00 O ATOM 1494 CB ILE A 627 -6.054 5.020 5.123 1.00 0.00 C ATOM 1495 CG1 ILE A 627 -6.400 5.751 3.824 1.00 0.00 C ATOM 1496 CG2 ILE A 627 -6.529 3.577 5.067 1.00 0.00 C ATOM 1497 CD1 ILE A 627 -5.547 5.329 2.648 1.00 0.00 C ATOM 0 H ILE A 627 -5.662 7.441 5.640 1.00 0.00 H new ATOM 0 HA ILE A 627 -7.759 5.820 6.177 1.00 0.00 H new ATOM 0 HB ILE A 627 -4.970 5.021 5.241 1.00 0.00 H new ATOM 0 HG12 ILE A 627 -7.448 5.573 3.585 1.00 0.00 H new ATOM 0 HG13 ILE A 627 -6.286 6.824 3.979 1.00 0.00 H new ATOM 0 HG21 ILE A 627 -6.077 3.078 4.210 1.00 0.00 H new ATOM 0 HG22 ILE A 627 -6.237 3.062 5.982 1.00 0.00 H new ATOM 0 HG23 ILE A 627 -7.614 3.555 4.969 1.00 0.00 H new ATOM 0 HD11 ILE A 627 -5.847 5.888 1.762 1.00 0.00 H new ATOM 0 HD12 ILE A 627 -4.499 5.533 2.867 1.00 0.00 H new ATOM 0 HD13 ILE A 627 -5.679 4.262 2.467 1.00 0.00 H new ATOM 1509 N GLU A 628 -5.130 4.813 7.942 1.00 0.00 N ATOM 1510 CA GLU A 628 -4.733 4.068 9.130 1.00 0.00 C ATOM 1511 C GLU A 628 -5.733 4.280 10.264 1.00 0.00 C ATOM 1512 O GLU A 628 -6.204 3.321 10.878 1.00 0.00 O ATOM 1513 CB GLU A 628 -3.334 4.492 9.583 1.00 0.00 C ATOM 1514 CG GLU A 628 -2.684 3.515 10.548 1.00 0.00 C ATOM 1515 CD GLU A 628 -3.021 3.812 11.995 1.00 0.00 C ATOM 1516 OE1 GLU A 628 -4.190 3.610 12.387 1.00 0.00 O ATOM 1517 OE2 GLU A 628 -2.116 4.247 12.738 1.00 0.00 O ATOM 0 H GLU A 628 -4.353 5.218 7.419 1.00 0.00 H new ATOM 0 HA GLU A 628 -4.718 3.008 8.874 1.00 0.00 H new ATOM 0 HB2 GLU A 628 -2.696 4.603 8.706 1.00 0.00 H new ATOM 0 HB3 GLU A 628 -3.396 5.471 10.058 1.00 0.00 H new ATOM 0 HG2 GLU A 628 -3.005 2.502 10.305 1.00 0.00 H new ATOM 0 HG3 GLU A 628 -1.602 3.546 10.417 1.00 0.00 H new ATOM 1524 N LYS A 629 -6.051 5.540 10.536 1.00 0.00 N ATOM 1525 CA LYS A 629 -6.994 5.880 11.595 1.00 0.00 C ATOM 1526 C LYS A 629 -8.417 5.495 11.201 1.00 0.00 C ATOM 1527 O LYS A 629 -9.128 4.845 11.965 1.00 0.00 O ATOM 1528 CB LYS A 629 -6.927 7.377 11.905 1.00 0.00 C ATOM 1529 CG LYS A 629 -5.560 7.840 12.377 1.00 0.00 C ATOM 1530 CD LYS A 629 -5.637 9.188 13.073 1.00 0.00 C ATOM 1531 CE LYS A 629 -5.767 10.326 12.073 1.00 0.00 C ATOM 1532 NZ LYS A 629 -6.326 11.556 12.700 1.00 0.00 N ATOM 0 H LYS A 629 -5.669 6.344 10.038 1.00 0.00 H new ATOM 0 HA LYS A 629 -6.718 5.318 12.487 1.00 0.00 H new ATOM 0 HB2 LYS A 629 -7.202 7.937 11.011 1.00 0.00 H new ATOM 0 HB3 LYS A 629 -7.666 7.614 12.670 1.00 0.00 H new ATOM 0 HG2 LYS A 629 -5.140 7.101 13.059 1.00 0.00 H new ATOM 0 HG3 LYS A 629 -4.884 7.908 11.525 1.00 0.00 H new ATOM 0 HD2 LYS A 629 -6.490 9.200 13.752 1.00 0.00 H new ATOM 0 HD3 LYS A 629 -4.744 9.336 13.680 1.00 0.00 H new ATOM 0 HE2 LYS A 629 -4.789 10.548 11.647 1.00 0.00 H new ATOM 0 HE3 LYS A 629 -6.410 10.014 11.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 629 -6.399 12.308 11.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 629 -7.270 11.351 13.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 629 -5.700 11.869 13.469 1.00 0.00 H new